#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hye s SER 2 N 0.00 -0.21 -0.04 3.17 0.15 -1.26 -5.14 113.70 110.36 2hye s SER 2 Ca 0.00 0.43 0.01 0.00 0.70 0.00 0.00 55.95 57.09 2hye s SER 2 Cb 0.00 0.39 0.02 0.00 -1.71 0.00 0.00 66.02 64.72 2hye s SER 2 CO 0.00 -0.10 -0.06 -0.31 1.20 0.00 0.00 173.24 173.96 2hye s TYR 3 N 0.53 0.86 0.15 3.44 2.02 -1.26 -4.11 117.35 118.99 2hye s TYR 3 Ca -0.03 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.43 2hye s TYR 3 Cb -0.05 -0.71 -0.04 0.00 -0.40 0.00 0.00 41.96 40.75 2hye s TYR 3 CO -0.03 -0.19 -0.03 -0.80 -1.57 0.00 0.00 175.55 172.93 2hye s ASN 4 N 0.77 1.29 -0.05 2.29 0.01 0.88 -1.23 114.94 118.90 2hye s ASN 4 Ca -0.11 -1.11 0.04 0.00 -0.71 0.00 0.00 52.86 50.97 2hye s ASN 4 Cb -0.14 0.09 -0.00 0.00 0.41 0.00 0.00 41.25 41.61 2hye s ASN 4 CO 0.01 -0.51 -0.18 -0.47 -1.51 0.00 0.00 177.10 174.44 2hye s TYR 5 N -3.60 1.84 -0.22 2.20 5.04 0.27 -1.86 117.35 121.02 2hye s TYR 5 Ca 0.20 -0.55 -0.02 0.00 -2.44 0.00 0.00 57.07 54.26 2hye s TYR 5 Cb 0.05 -1.24 0.06 0.00 0.35 0.00 0.00 41.96 41.19 2hye s TYR 5 CO 0.01 -0.19 0.02 0.54 -1.34 0.00 0.00 175.55 174.59 2hye s VAL 6 N 0.06 0.86 0.23 3.14 0.11 -0.69 -1.69 120.40 122.43 2hye s VAL 6 Ca -0.05 -0.86 0.09 0.00 -2.93 0.00 0.00 61.98 58.23 2hye s VAL 6 Cb -0.12 -1.33 -0.04 0.00 -1.53 0.00 0.00 36.38 33.35 2hye s VAL 6 CO 0.03 -0.24 0.00 0.68 -3.33 0.00 0.00 175.10 172.25 2hye s VAL 7 N 1.69 3.58 -0.09 2.04 -7.23 -0.60 -1.91 120.40 117.88 2hye s VAL 7 Ca -0.01 -1.72 -0.15 0.00 -1.81 0.00 0.00 61.98 58.29 2hye s VAL 7 Cb -0.18 -2.87 -0.05 0.00 0.56 0.00 0.00 36.38 33.84 2hye s VAL 7 CO -0.09 -0.28 0.37 -0.89 -0.31 0.00 0.00 175.10 173.90 2hye s THR 8 N -2.09 5.19 -0.81 5.32 2.01 -1.26 -0.01 115.64 123.99 2hye s THR 8 Ca 0.30 0.74 0.15 0.00 0.31 0.00 0.00 61.69 63.19 2hye s THR 8 Cb -0.08 -3.70 -0.14 0.00 0.01 0.00 0.00 72.50 68.60 2hye s THR 8 CO 0.19 0.45 0.66 0.00 -0.69 0.00 0.00 174.62 175.24 2hye n ALA 9 N 2.91 3.82 -3.60 7.40 0.00 -0.45 -4.90 120.51 125.69 2hye n ALA 9 Ca -0.12 -0.44 -0.01 0.00 0.00 0.00 0.00 53.44 52.87 2hye n ALA 9 Cb 0.52 -0.54 -0.04 0.00 0.00 0.00 0.00 19.45 19.39 2hye n ALA 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2hye s GLN 10 N -2.32 0.55 0.89 0.00 -0.44 -0.95 -4.95 119.66 112.44 2hye s GLN 10 Ca 0.07 1.36 -0.12 0.00 -2.50 0.00 0.00 55.36 54.17 2hye s GLN 10 Cb 0.11 0.77 0.10 0.00 -1.64 0.00 0.00 33.01 32.35 2hye s GLN 10 CO 0.58 -0.25 0.96 1.63 0.50 0.00 0.00 175.29 178.71 2hye n LYS 11 N 5.44 -0.23 -2.04 1.67 5.02 -1.26 -2.88 118.16 123.88 2hye n LYS 11 Ca -0.10 -0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.77 2hye n LYS 11 Cb 0.49 -2.24 -0.03 0.00 -0.02 0.00 0.00 35.03 33.23 2hye n LYS 11 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2hye s PRO 12 N -4.18 4.27 -0.06 1.97 0.02 -1.26 -4.46 135.00 131.30 2hye s PRO 12 Ca 0.66 2.24 0.18 0.00 0.02 0.00 0.00 61.00 64.10 2hye s PRO 12 Cb -0.25 -3.18 -0.23 0.00 0.02 0.00 0.00 34.50 30.87 2hye s PRO 12 CO 0.58 -0.50 0.47 0.25 -0.33 0.00 0.00 177.00 177.48 2hye n THR 13 N 3.61 1.00 -1.81 0.99 -2.24 -0.83 -4.88 114.28 110.13 2hye n THR 13 Ca 0.11 -0.71 -0.40 0.00 -2.27 0.00 0.00 64.05 60.78 2hye n THR 13 Cb 0.40 -0.48 0.01 0.00 -2.10 0.00 0.00 70.33 68.16 2hye n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hye s ALA 14 N -2.90 3.32 -0.68 6.98 0.00 -1.08 -4.82 121.76 122.57 2hye s ALA 14 Ca -0.07 1.48 -0.10 0.00 0.00 0.00 0.00 51.96 53.27 2hye s ALA 14 Cb 0.09 -3.59 0.18 0.00 0.00 0.00 0.00 23.12 19.80 2hye s ALA 14 CO 0.84 -1.15 0.58 0.08 0.00 0.00 0.00 175.76 176.11 2hye s VAL 15 N -1.19 4.80 0.56 0.00 1.01 -1.09 -4.56 120.40 119.94 2hye s VAL 15 Ca 0.59 -2.41 0.24 0.00 0.00 0.00 0.00 61.98 60.40 2hye s VAL 15 Cb -0.44 -4.04 0.32 0.00 0.00 0.00 0.00 36.38 32.22 2hye s VAL 15 CO 0.58 -0.93 2.21 0.78 0.00 0.00 0.00 175.10 177.74 2hye h ASN 16 N 7.78 0.00 -4.65 3.32 2.35 -1.38 -3.41 115.58 119.59 2hye h ASN 16 Ca -0.02 0.00 0.24 0.00 -0.55 0.00 0.00 56.30 55.97 2hye h ASN 16 Cb 1.03 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.23 2hye h ASN 16 CO 0.79 0.00 0.74 -0.83 -1.65 0.00 0.00 177.43 176.48 2hye s GLY 17 N -4.09 -0.34 -0.20 2.83 0.00 -1.10 -4.82 107.32 99.59 2hye s GLY 17 Ca -0.05 1.26 -0.17 0.00 0.00 0.00 0.00 44.72 45.76 2hye s GLY 17 CO 0.60 0.40 0.52 0.00 0.00 0.00 0.00 173.10 174.61 2hye s VAL 19 N 0.57 0.28 0.23 0.00 0.11 0.85 -4.81 120.40 117.62 2hye s VAL 19 Ca -0.02 -0.92 0.09 0.00 -2.93 0.00 0.00 61.98 58.19 2hye s VAL 19 Cb -0.04 -0.39 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 2hye s VAL 19 CO -0.03 -0.42 -0.02 0.28 -3.33 0.00 0.00 175.10 171.58 2hye s THR 20 N -1.34 3.46 -5.00 5.04 -1.32 -1.26 0.83 115.64 116.05 2hye s THR 20 Ca -0.13 -1.76 0.00 0.00 -1.21 0.00 0.00 61.69 58.59 2hye s THR 20 Cb -0.09 -2.80 0.00 0.00 -1.51 0.00 0.00 72.50 68.09 2hye s THR 20 CO -0.00 -0.27 0.00 0.61 -2.21 0.00 0.00 174.62 172.75 2hye n GLY 21 N -0.56 -0.84 3.11 6.08 0.00 -0.95 -4.93 105.19 107.11 2hye n GLY 21 Ca -0.08 -1.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.20 2hye n GLY 21 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2hye n HIS 22 N 9.00 4.27 -0.03 1.61 8.25 -1.26 0.74 115.22 137.80 2hye n HIS 22 Ca 0.00 -3.94 -0.22 0.00 -0.26 0.00 0.00 57.72 53.30 2hye n HIS 22 Cb 0.00 -1.25 -0.13 0.00 1.12 0.00 0.00 29.99 29.73 2hye n HIS 22 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 2hye h PHE 23 N 5.98 0.30 -0.28 4.41 3.57 -1.86 -2.35 116.94 126.71 2hye h PHE 23 Ca 0.17 -0.22 -0.08 0.00 3.53 0.00 0.00 57.97 61.37 2hye h PHE 23 Cb 0.80 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 2hye h PHE 23 CO 0.75 1.62 -0.14 1.15 -2.23 0.00 0.00 178.31 179.46 2hye h THR 24 N -0.41 1.30 -2.86 4.41 2.02 -1.87 -3.41 112.91 112.09 2hye h THR 24 Ca -0.37 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 65.55 2hye h THR 24 Cb 1.70 1.51 -0.13 0.00 -1.74 0.00 0.00 68.15 69.49 2hye h THR 24 CO -0.03 0.39 0.21 -0.55 0.37 0.00 0.00 175.52 175.92 2hye s SER 25 N -6.29 -0.58 0.50 4.18 0.15 -1.26 -4.96 113.70 105.44 2hye s SER 25 Ca -0.13 0.09 0.17 0.00 0.70 0.00 0.00 55.95 56.78 2hye s SER 25 Cb 0.08 0.59 1.25 0.00 -1.71 0.00 0.00 66.02 66.23 2hye s SER 25 CO 0.79 -0.92 2.11 0.00 1.20 0.00 0.00 173.24 176.43 2hye h ALA 26 N 2.13 1.84 -0.54 5.45 0.00 -1.85 -2.67 119.26 123.61 2hye h ALA 26 Ca -0.33 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2hye h ALA 26 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2hye h ALA 26 CO 0.38 0.07 0.00 0.39 0.00 0.00 0.00 179.25 180.09 2hye n GLU 27 N -4.38 3.58 -5.04 0.00 4.71 -1.26 -4.96 120.64 113.29 2hye n GLU 27 Ca -0.03 -2.79 -0.32 0.00 -0.01 0.00 0.00 57.16 54.01 2hye n GLU 27 Cb 0.14 -1.83 -0.14 0.00 -1.01 0.00 0.00 31.44 28.60 2hye n GLU 27 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2hye s ASP 28 N -1.08 3.65 -0.30 1.62 1.01 -1.01 -5.10 116.67 115.46 2hye s ASP 28 Ca 0.46 -0.31 -0.17 0.00 0.71 0.00 0.00 52.55 53.24 2hye s ASP 28 Cb 0.31 -0.75 -0.02 0.00 1.01 0.00 0.00 42.92 43.47 2hye s ASP 28 CO 0.20 0.32 0.48 -0.22 0.21 0.00 0.00 175.17 176.16 2hye s LEU 29 N -0.56 4.18 0.29 1.23 2.96 -1.26 -4.28 118.68 121.23 2hye s LEU 29 Ca 0.08 0.22 0.07 0.00 -0.22 0.00 0.00 54.13 54.27 2hye s LEU 29 Cb -0.11 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.98 2hye s LEU 29 CO 0.01 -0.35 0.30 0.20 -1.32 0.00 0.00 176.35 175.19 2hye s ASN 30 N 1.66 5.68 -0.21 3.68 0.01 0.23 -1.82 114.94 124.17 2hye s ASN 30 Ca 0.18 -0.25 -0.04 0.00 -0.71 0.00 0.00 52.86 52.04 2hye s ASN 30 Cb -0.16 -1.33 0.07 0.00 0.41 0.00 0.00 41.25 40.24 2hye s ASN 30 CO 0.11 -0.20 0.08 -0.22 -1.51 0.00 0.00 177.10 175.36 2hye s LEU 31 N -3.97 0.77 -0.21 0.60 2.96 -1.12 -2.23 118.68 115.49 2hye s LEU 31 Ca 0.37 -0.90 -0.11 0.00 -0.22 0.00 0.00 54.13 53.27 2hye s LEU 31 Cb -0.08 -0.41 -0.05 0.00 0.50 0.00 0.00 46.19 46.15 2hye s LEU 31 CO 0.27 -0.36 0.19 -0.76 -1.32 0.00 0.00 176.35 174.37 2hye s LEU 32 N 2.01 4.18 -0.11 -0.68 1.43 0.24 -1.31 118.68 124.45 2hye s LEU 32 Ca 0.03 0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.43 2hye s LEU 32 Cb -0.16 -2.18 0.01 0.00 0.03 0.00 0.00 46.19 43.88 2hye s LEU 32 CO -0.16 0.11 -0.22 -0.63 0.23 0.00 0.00 176.35 175.68 2hye s ILE 33 N 0.68 1.95 -0.25 -0.59 1.01 0.27 -0.11 121.20 124.15 2hye s ILE 33 Ca 0.10 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.70 2hye s ILE 33 Cb -0.12 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 2hye s ILE 33 CO 0.02 0.53 0.20 0.00 0.00 0.00 0.00 174.94 175.69 2hye s ALA 34 N 0.57 3.58 -0.16 9.38 0.00 0.13 0.28 121.76 135.53 2hye s ALA 34 Ca -0.14 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 50.77 2hye s ALA 34 Cb -0.17 -2.43 -0.07 0.00 0.00 0.00 0.00 23.12 20.46 2hye s ALA 34 CO 0.04 -0.36 -0.11 1.63 0.00 0.00 0.00 175.76 176.97 2hye n LYS 35 N 4.64 0.48 0.00 0.00 4.01 -0.18 -1.99 118.16 125.13 2hye n LYS 35 Ca -0.14 0.52 0.00 0.00 -0.51 0.00 0.00 58.31 58.18 2hye n LYS 35 Cb 0.52 -1.69 0.00 0.00 -0.51 0.00 0.00 35.03 33.35 2hye n LYS 35 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2hye n ASN 36 N -4.56 0.00 -0.00 4.39 5.15 -1.26 -3.27 115.26 115.70 2hye n ASN 36 Ca -0.14 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 53.93 2hye n ASN 36 Cb 0.38 0.19 -0.11 0.00 -0.53 0.00 0.00 39.78 39.71 2hye n ASN 36 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2hye n THR 37 N -1.69 0.00 -4.05 -0.44 -2.24 -1.26 -1.10 114.28 103.51 2hye n THR 37 Ca 0.00 -0.07 -0.28 0.00 -2.27 0.00 0.00 64.05 61.43 2hye n THR 37 Cb 0.00 0.98 -0.05 0.00 -2.10 0.00 0.00 70.33 69.15 2hye n THR 37 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2hye s ARG 38 N -2.78 2.98 -0.14 -0.78 1.81 -1.26 0.15 118.95 118.93 2hye s ARG 38 Ca 0.07 -0.75 -0.00 0.00 -1.72 0.00 0.00 55.73 53.32 2hye s ARG 38 Cb 0.14 -2.73 0.03 0.00 -0.45 0.00 0.00 34.95 31.93 2hye s ARG 38 CO 0.77 0.52 -0.11 -1.17 -0.68 0.00 0.00 175.30 174.64 2hye s LEU 39 N -2.83 1.47 -0.18 2.53 2.96 0.75 -1.01 118.68 122.38 2hye s LEU 39 Ca 0.31 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.75 2hye s LEU 39 Cb -0.11 -1.01 -0.03 0.00 0.50 0.00 0.00 46.19 45.54 2hye s LEU 39 CO 0.24 -0.09 -0.02 -1.61 -1.32 0.00 0.00 176.35 173.55 2hye s GLU 40 N 1.59 3.67 -0.20 1.98 2.02 0.14 -2.04 118.70 125.86 2hye s GLU 40 Ca 0.05 -0.51 -0.02 0.00 0.02 0.00 0.00 54.97 54.50 2hye s GLU 40 Cb -0.13 -3.00 -0.00 0.00 0.10 0.00 0.00 34.13 31.10 2hye s GLU 40 CO -0.09 0.14 -0.09 0.42 0.02 0.00 0.00 175.26 175.65 2hye s ILE 41 N 0.64 2.97 0.48 -1.63 1.01 -0.73 0.93 121.20 124.88 2hye s ILE 41 Ca -0.01 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.04 2hye s ILE 41 Cb -0.14 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 2hye s ILE 41 CO 0.02 0.46 0.09 -0.31 0.00 0.00 0.00 174.94 175.21 2hye s TYR 42 N 1.35 2.08 -0.03 3.97 1.51 -0.42 -2.45 117.35 123.35 2hye s TYR 42 Ca 0.04 -0.82 0.01 0.00 -1.01 0.00 0.00 57.07 55.29 2hye s TYR 42 Cb -0.14 -1.75 0.02 0.00 -0.11 0.00 0.00 41.96 39.99 2hye s TYR 42 CO -0.05 0.17 -0.02 0.08 -1.11 0.00 0.00 175.55 174.61 2hye s VAL 43 N -2.78 0.35 0.55 0.71 1.01 -0.47 -2.79 120.40 116.97 2hye s VAL 43 Ca 0.21 -0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.97 2hye s VAL 43 Cb 0.03 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 2hye s VAL 43 CO 0.12 0.17 1.14 -0.69 0.00 0.00 0.00 175.10 175.84 2hye s VAL 44 N 0.84 3.10 0.29 2.92 1.01 -0.75 -1.06 120.40 126.74 2hye s VAL 44 Ca -0.10 0.68 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2hye s VAL 44 Cb -0.13 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2hye s VAL 44 CO -0.01 -0.16 0.00 0.35 0.00 0.00 0.00 175.10 175.29 2hye n THR 45 N -1.38 0.00 0.00 3.92 -2.24 -1.22 -4.81 114.28 108.55 2hye n THR 45 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 2hye n THR 45 Cb 0.51 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 2hye n THR 45 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hye n ALA 46 N -3.27 0.00 0.11 6.98 0.00 -1.26 -4.98 120.51 118.09 2hye n ALA 46 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2hye n ALA 46 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 2hye n ALA 46 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2hye h GLU 47 N 0.00 0.19 0.00 0.00 4.81 -2.00 -3.48 114.58 114.10 2hye h GLU 47 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2hye h GLU 47 Cb 0.00 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2hye h GLU 47 CO 0.00 0.56 0.00 0.41 -0.73 0.00 0.00 179.01 179.25 2hye n GLY 48 N -0.25 3.49 3.21 1.92 0.00 -1.26 -5.07 105.19 107.22 2hye n GLY 48 Ca -0.01 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 2hye n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hye s LEU 49 N 0.00 2.04 -0.31 0.99 2.01 -1.26 -3.43 118.68 118.72 2hye s LEU 49 Ca 0.00 -0.52 -0.13 0.00 0.01 0.00 0.00 54.13 53.49 2hye s LEU 49 Cb 0.00 -1.33 -0.03 0.00 0.01 0.00 0.00 46.19 44.84 2hye s LEU 49 CO 0.00 0.16 0.25 -0.60 1.01 0.00 0.00 176.35 177.18 2hye s ARG 50 N 0.26 3.73 0.08 1.70 3.52 -0.22 -4.82 118.95 123.20 2hye s ARG 50 Ca -0.15 -0.42 -0.31 0.00 -0.13 0.00 0.00 55.73 54.73 2hye s ARG 50 Cb -0.17 -3.74 -0.09 0.00 -1.56 0.00 0.00 34.95 29.40 2hye s ARG 50 CO 0.07 -0.34 1.70 -2.14 -0.81 0.00 0.00 175.30 173.78 2hye s PRO 51 N 1.82 4.18 -0.13 5.12 0.02 -1.26 -1.37 135.00 143.38 2hye s PRO 51 Ca 0.08 2.40 -0.05 0.00 0.02 0.00 0.00 61.00 63.44 2hye s PRO 51 Cb -0.17 -3.62 -0.06 0.00 0.02 0.00 0.00 34.50 30.68 2hye s PRO 51 CO 0.11 -0.77 -0.16 1.33 -0.33 0.00 0.00 177.00 177.19 2hye n VAL 52 N 4.76 0.69 -3.67 3.83 0.24 -1.03 -4.97 118.33 118.18 2hye n VAL 52 Ca 0.16 -0.19 -0.15 0.00 -2.04 0.00 0.00 64.34 62.13 2hye n VAL 52 Cb 0.40 -1.57 -0.08 0.00 -1.47 0.00 0.00 33.84 31.11 2hye n VAL 52 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2hye s LYS 53 N -2.23 0.73 -0.25 7.34 2.47 -1.23 -5.08 119.74 121.50 2hye s LYS 53 Ca -0.17 0.31 -0.04 0.00 -1.56 0.00 0.00 55.97 54.51 2hye s LYS 53 Cb 0.06 0.34 0.09 0.00 -1.46 0.00 0.00 37.83 36.87 2hye s LYS 53 CO 0.23 -0.17 0.13 -2.00 0.16 0.00 0.00 175.35 173.69 2hye s GLU 54 N -0.60 0.15 0.25 4.03 -6.30 -1.26 -1.77 118.70 113.21 2hye s GLU 54 Ca -0.07 -0.34 0.06 0.00 -2.50 0.00 0.00 54.97 52.12 2hye s GLU 54 Cb -0.03 -1.36 -0.03 0.00 0.00 0.00 0.00 34.13 32.70 2hye s GLU 54 CO 0.04 -0.89 0.27 0.14 0.02 0.00 0.00 175.26 174.84 2hye s VAL 55 N 2.13 4.75 -0.16 3.70 -7.23 -0.87 -4.95 120.40 117.78 2hye s VAL 55 Ca 0.07 -1.23 -0.00 0.00 -1.81 0.00 0.00 61.98 59.00 2hye s VAL 55 Cb -0.16 -3.58 -0.00 0.00 0.56 0.00 0.00 36.38 33.20 2hye s VAL 55 CO -0.27 -0.34 -0.15 -0.83 -0.31 0.00 0.00 175.10 173.21 2hye s GLY 56 N -3.90 1.48 0.57 2.32 0.00 -1.26 -0.18 107.32 106.35 2hye s GLY 56 Ca 0.34 -1.06 -0.08 0.00 0.00 0.00 0.00 44.72 43.91 2hye s GLY 56 CO 0.27 0.07 0.94 1.06 0.00 0.00 0.00 173.10 175.43 2hye s MET 57 N 0.89 3.45 -1.00 2.90 -1.94 0.40 -4.72 119.30 119.28 2hye s MET 57 Ca -0.04 0.46 -0.01 0.00 -1.71 0.00 0.00 55.69 54.39 2hye s MET 57 Cb -0.15 -2.20 0.32 0.00 2.01 0.00 0.00 34.83 34.81 2hye s MET 57 CO -0.01 -0.49 1.71 0.66 -0.01 0.00 0.00 175.02 176.88 2hye n TYR 58 N -2.58 2.82 0.00 -0.03 4.01 -1.26 -4.80 117.16 115.32 2hye n TYR 58 Ca 0.04 -2.69 0.00 0.00 -0.16 0.00 0.00 57.90 55.09 2hye n TYR 58 Cb 0.55 -1.14 0.00 0.00 -0.31 0.00 0.00 39.34 38.44 2hye n TYR 58 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hye n GLY 59 N 0.08 -0.60 3.48 2.72 0.00 -1.26 -4.73 105.19 104.89 2hye n GLY 59 Ca 0.43 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 2hye n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hye s LYS 60 N -2.00 3.13 -0.49 1.61 1.02 -1.26 -4.16 119.74 117.58 2hye s LYS 60 Ca 0.00 -0.85 -0.34 0.00 0.02 0.00 0.00 55.97 54.80 2hye s LYS 60 Cb 0.00 -3.93 -0.13 0.00 -0.52 0.00 0.00 37.83 33.24 2hye s LYS 60 CO 0.00 -0.70 2.31 -0.89 -0.92 0.00 0.00 175.35 175.14 2hye n ILE 61 N 5.22 0.09 -0.08 2.17 2.08 -0.26 -1.28 119.36 127.31 2hye n ILE 61 Ca -0.10 -0.27 -0.12 0.00 0.56 0.00 0.00 62.75 62.82 2hye n ILE 61 Cb 0.48 -1.51 -0.15 0.00 -0.75 0.00 0.00 39.64 37.71 2hye n ILE 61 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2hye n ALA 62 N 10.64 1.44 -2.90 -1.39 0.00 0.54 -4.89 120.51 123.95 2hye n ALA 62 Ca 0.46 -1.12 -0.12 0.00 0.00 0.00 0.00 53.44 52.66 2hye n ALA 62 Cb 0.22 -0.34 -0.12 0.00 0.00 0.00 0.00 19.45 19.21 2hye n ALA 62 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2hye s VAL 63 N -2.52 0.18 -0.30 0.00 1.01 -0.72 -4.95 120.40 113.10 2hye s VAL 63 Ca -0.15 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.33 2hye s VAL 63 Cb 0.07 -0.25 0.19 0.00 0.00 0.00 0.00 36.38 36.39 2hye s VAL 63 CO 0.78 -0.24 0.53 -0.32 0.00 0.00 0.00 175.10 175.86 2hye s MET 64 N -0.83 0.53 0.18 2.72 0.00 -1.25 -2.02 119.30 118.63 2hye s MET 64 Ca -0.07 0.36 0.06 0.00 0.00 0.00 0.00 55.69 56.03 2hye s MET 64 Cb -0.06 0.06 -0.05 0.00 0.00 0.00 0.00 34.83 34.79 2hye s MET 64 CO -0.00 -1.06 -0.11 -1.21 0.00 0.00 0.00 175.02 172.64 2hye s GLU 65 N 2.67 1.19 0.22 4.11 0.41 -0.77 -4.84 118.70 121.69 2hye s GLU 65 Ca 0.10 -1.52 0.11 0.00 -0.41 0.00 0.00 54.97 53.25 2hye s GLU 65 Cb -0.10 -0.83 -0.04 0.00 -1.78 0.00 0.00 34.13 31.37 2hye s GLU 65 CO -0.26 0.11 -0.17 -0.51 -0.49 0.00 0.00 175.26 173.94 2hye s LEU 66 N -3.24 2.67 -0.06 1.80 1.43 -1.26 -0.81 118.68 119.22 2hye s LEU 66 Ca 0.20 -0.81 -0.14 0.00 -1.03 0.00 0.00 54.13 52.34 2hye s LEU 66 Cb 0.01 -1.32 0.03 0.00 0.03 0.00 0.00 46.19 44.94 2hye s LEU 66 CO 0.04 0.09 0.34 0.72 0.23 0.00 0.00 176.35 177.76 2hye s PHE 67 N -1.93 -0.27 -0.78 0.29 -0.00 -0.76 -4.96 117.98 109.58 2hye s PHE 67 Ca 0.25 0.53 -0.01 0.00 -0.00 0.00 0.00 56.93 57.70 2hye s PHE 67 Cb -0.07 0.12 0.19 0.00 -0.00 0.00 0.00 43.02 43.26 2hye s PHE 67 CO 0.13 -0.33 0.62 0.50 -0.00 0.00 0.00 175.22 176.15 2hye s ARG 68 N -0.80 2.90 -0.07 1.99 6.06 -1.26 -1.10 118.95 126.67 2hye s ARG 68 Ca -0.09 -3.07 -0.28 0.00 -2.50 0.00 0.00 55.73 49.80 2hye s ARG 68 Cb -0.04 -3.79 -0.02 0.00 0.06 0.00 0.00 34.95 31.16 2hye s ARG 68 CO 0.03 -1.24 0.90 -2.14 -2.50 0.00 0.00 175.30 170.36 2hye s PRO 69 N -0.98 4.45 0.10 5.12 0.02 -1.26 -4.97 135.00 137.48 2hye s PRO 69 Ca 0.24 1.23 -0.33 0.00 0.02 0.00 0.00 61.00 62.16 2hye s PRO 69 Cb -0.11 -3.50 -0.12 0.00 0.02 0.00 0.00 34.50 30.79 2hye s PRO 69 CO -0.10 -0.14 1.75 1.63 -0.33 0.00 0.00 177.00 179.81 2hye n LYS 70 N 4.39 2.44 0.00 5.54 5.02 -1.26 -2.19 118.16 132.11 2hye n LYS 70 Ca 0.05 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 2hye n LYS 70 Cb 0.50 -2.73 0.00 0.00 -0.02 0.00 0.00 35.03 32.78 2hye n LYS 70 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hye n GLY 71 N 3.97 4.08 3.82 0.72 0.00 -1.26 -5.09 105.19 111.44 2hye n GLY 71 Ca 0.18 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 2hye n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hye s GLU 72 N 0.00 3.92 0.29 1.61 0.41 -0.93 -5.00 118.70 119.00 2hye s GLU 72 Ca 0.00 0.33 -0.02 0.00 -0.41 0.00 0.00 54.97 54.88 2hye s GLU 72 Cb 0.00 -3.25 0.43 0.00 -1.78 0.00 0.00 34.13 29.53 2hye s GLU 72 CO 0.00 0.63 1.92 0.66 -0.49 0.00 0.00 175.26 177.97 2hye h SER 73 N 5.03 0.89 -3.14 -0.19 4.64 -1.98 -3.45 113.55 115.34 2hye h SER 73 Ca -0.50 -0.07 -0.14 0.00 -0.47 0.00 0.00 61.79 60.60 2hye h SER 73 Cb 1.21 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 63.05 2hye h SER 73 CO 0.63 0.72 -0.11 2.29 -0.87 0.00 0.00 176.83 179.48 2hye n LYS 74 N -4.36 1.00 -1.72 4.77 2.85 -1.26 -4.76 118.16 114.68 2hye n LYS 74 Ca 0.07 -0.86 -0.31 0.00 -1.05 0.00 0.00 58.31 56.16 2hye n LYS 74 Cb 0.10 0.42 0.04 0.00 -0.65 0.00 0.00 35.03 34.94 2hye n LYS 74 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2hye s ASP 75 N -1.63 5.52 0.16 -5.58 -0.00 -0.89 -4.71 116.67 109.55 2hye s ASP 75 Ca 0.04 1.67 0.09 0.00 -0.00 0.00 0.00 52.55 54.35 2hye s ASP 75 Cb 0.00 -2.51 -0.04 0.00 -0.00 0.00 0.00 42.92 40.37 2hye s ASP 75 CO 0.03 -1.35 -0.19 -0.76 -0.00 0.00 0.00 175.17 172.90 2hye s LEU 76 N -5.22 2.42 -0.24 1.23 1.43 -0.26 -4.76 118.68 113.29 2hye s LEU 76 Ca 0.60 -0.84 -0.05 0.00 -1.03 0.00 0.00 54.13 52.80 2hye s LEU 76 Cb -0.14 -0.88 -0.01 0.00 0.03 0.00 0.00 46.19 45.18 2hye s LEU 76 CO 0.49 -0.00 0.00 -0.22 0.23 0.00 0.00 176.35 176.85 2hye s LEU 77 N -2.58 3.15 -0.23 1.79 2.96 -0.64 -1.82 118.68 121.31 2hye s LEU 77 Ca 0.15 -0.36 -0.10 0.00 -0.22 0.00 0.00 54.13 53.61 2hye s LEU 77 Cb -0.07 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 2hye s LEU 77 CO 0.07 -0.04 0.13 0.12 -1.32 0.00 0.00 176.35 175.31 2hye s PHE 78 N 1.52 3.29 -0.08 5.38 5.36 0.01 -0.11 117.98 133.36 2hye s PHE 78 Ca 0.06 0.15 -0.00 0.00 -0.96 0.00 0.00 56.93 56.18 2hye s PHE 78 Cb -0.15 -2.22 0.02 0.00 -0.34 0.00 0.00 43.02 40.33 2hye s PHE 78 CO -0.01 0.06 -0.05 0.42 -1.46 0.00 0.00 175.22 174.19 2hye s ILE 79 N 0.93 0.70 -0.25 3.12 1.01 -0.46 -1.85 121.20 124.40 2hye s ILE 79 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 60.65 60.56 2hye s ILE 79 Cb -0.13 -0.76 0.02 0.00 0.01 0.00 0.00 42.46 41.60 2hye s ILE 79 CO 0.03 0.30 -0.04 -0.22 0.00 0.00 0.00 174.94 175.01 2hye s LEU 80 N 1.48 3.23 1.19 2.97 2.96 -0.85 -2.35 118.68 127.31 2hye s LEU 80 Ca -0.01 -0.80 -0.16 0.00 -0.22 0.00 0.00 54.13 52.94 2hye s LEU 80 Cb -0.13 -1.70 0.28 0.00 0.50 0.00 0.00 46.19 45.14 2hye s LEU 80 CO -0.04 -0.12 1.04 -0.89 -1.32 0.00 0.00 176.35 175.02 2hye s THR 81 N 1.36 1.75 -0.45 3.68 2.01 0.17 -0.34 115.64 123.82 2hye s THR 81 Ca 0.01 0.00 0.23 0.00 0.31 0.00 0.00 61.69 62.25 2hye s THR 81 Cb -0.16 -2.29 0.34 0.00 0.01 0.00 0.00 72.50 70.40 2hye s THR 81 CO -0.04 0.00 1.63 0.00 -0.69 0.00 0.00 174.62 175.52 2hye h ALA 82 N -2.60 1.00 -0.75 7.40 0.00 -1.52 -2.81 119.26 119.98 2hye h ALA 82 Ca -0.53 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.10 2hye h ALA 82 Cb 1.33 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.95 2hye h ALA 82 CO 0.44 0.00 0.36 1.63 0.00 0.00 0.00 179.25 181.68 2hye n LYS 83 N -3.05 3.08 -3.56 0.00 5.02 -1.26 -4.90 118.16 113.49 2hye n LYS 83 Ca 0.04 -2.77 -0.19 0.00 -2.02 0.00 0.00 58.31 53.37 2hye n LYS 83 Cb 0.52 -2.12 0.06 0.00 -0.02 0.00 0.00 35.03 33.48 2hye n LYS 83 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2hye n TYR 84 N -0.37 -2.06 -3.56 2.13 4.02 -1.06 -4.88 117.16 111.37 2hye n TYR 84 Ca 0.43 0.89 -0.41 0.00 -0.01 0.00 0.00 57.90 58.79 2hye n TYR 84 Cb 1.38 -4.72 -0.09 0.00 -0.02 0.00 0.00 39.34 35.89 2hye n TYR 84 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 2hye s ASN 85 N -4.33 5.74 0.48 7.72 0.02 -1.25 -2.57 114.94 120.75 2hye s ASN 85 Ca 0.02 -1.46 -0.00 0.00 -1.02 0.00 0.00 52.86 50.40 2hye s ASN 85 Cb -0.00 -2.03 0.00 0.00 0.02 0.00 0.00 41.25 39.24 2hye s ASN 85 CO 0.77 -0.56 0.71 0.00 0.02 0.00 0.00 177.10 178.04 2hye s ALA 86 N 1.47 3.73 0.00 0.60 0.00 -0.87 0.43 121.76 127.12 2hye s ALA 86 Ca 0.03 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2hye s ALA 86 Cb -0.23 -2.18 0.00 0.00 0.00 0.00 0.00 23.12 20.71 2hye s ALA 86 CO 0.03 -0.46 0.00 0.00 0.00 0.00 0.00 175.76 175.33 2hye s ILE 88 N -2.00 1.71 0.07 0.00 1.01 -1.20 -1.35 121.20 119.44 2hye s ILE 88 Ca 0.00 -1.33 0.03 0.00 0.00 0.00 0.00 60.65 59.35 2hye s ILE 88 Cb 0.00 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 2hye s ILE 88 CO 0.00 0.12 -0.10 -0.76 0.00 0.00 0.00 174.94 174.20 2hye s LEU 89 N -1.44 2.33 0.15 2.97 1.43 0.84 -1.52 118.68 123.44 2hye s LEU 89 Ca 0.07 -0.69 0.10 0.00 -1.03 0.00 0.00 54.13 52.59 2hye s LEU 89 Cb -0.09 -0.30 -0.04 0.00 0.03 0.00 0.00 46.19 45.78 2hye s LEU 89 CO 0.03 -0.20 -0.23 -0.70 0.23 0.00 0.00 176.35 175.47 2hye s GLU 90 N -2.18 1.33 -0.45 1.70 2.12 -0.49 -1.63 118.70 119.10 2hye s GLU 90 Ca -0.01 -1.36 -0.11 0.00 0.36 0.00 0.00 54.97 53.85 2hye s GLU 90 Cb -0.07 -1.64 0.09 0.00 0.26 0.00 0.00 34.13 32.77 2hye s GLU 90 CO 0.01 0.37 0.33 -0.47 -0.54 0.00 0.00 175.26 174.96 2hye s TYR 91 N -1.44 3.32 -0.17 5.30 5.04 -1.26 -1.51 117.35 126.63 2hye s TYR 91 Ca 0.14 -1.42 0.00 0.00 -2.44 0.00 0.00 57.07 53.35 2hye s TYR 91 Cb -0.09 -3.20 0.01 0.00 0.35 0.00 0.00 41.96 39.03 2hye s TYR 91 CO 0.07 -0.88 -0.16 0.15 -1.34 0.00 0.00 175.55 173.39 2hye s LYS 92 N 1.48 3.14 -0.22 4.97 1.02 -0.57 -4.93 119.74 124.63 2hye s LYS 92 Ca 0.04 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.26 2hye s LYS 92 Cb -0.25 -2.65 0.06 0.00 -0.52 0.00 0.00 37.83 34.47 2hye s LYS 92 CO 0.03 -0.11 -0.04 -1.14 -0.92 0.00 0.00 175.35 173.16 2hye s GLN 93 N 1.12 1.47 -0.94 1.68 0.74 -1.26 -0.31 119.66 122.17 2hye s GLN 93 Ca 0.00 -0.87 -0.03 0.00 0.05 0.00 0.00 55.36 54.52 2hye s GLN 93 Cb -0.14 -2.48 0.23 0.00 1.10 0.00 0.00 33.01 31.72 2hye s GLN 93 CO -0.06 -0.59 0.86 0.43 -0.55 0.00 0.00 175.29 175.38 2hye n SER 94 N 4.74 4.48 0.00 6.67 7.64 -0.45 -4.94 113.62 131.76 2hye n SER 94 Ca -0.12 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 56.63 2hye n SER 94 Cb 0.45 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 2hye n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hye n GLY 95 N 2.28 1.77 0.20 0.23 0.00 -1.26 -3.46 105.19 104.96 2hye n GLY 95 Ca 0.23 -0.61 0.13 0.00 0.00 0.00 0.00 46.02 45.76 2hye n GLY 95 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hye n GLU 96 N 6.63 1.27 -4.44 1.61 4.71 -1.26 -4.82 120.64 124.36 2hye n GLU 96 Ca 0.00 -0.41 -0.34 0.00 -0.01 0.00 0.00 57.16 56.41 2hye n GLU 96 Cb 0.00 -1.41 -0.10 0.00 -1.01 0.00 0.00 31.44 28.92 2hye n GLU 96 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2hye s SER 97 N -1.79 4.99 -0.26 1.62 1.04 -1.22 -5.08 113.70 112.99 2hye s SER 97 Ca 0.37 0.04 -0.04 0.00 0.48 0.00 0.00 55.95 56.80 2hye s SER 97 Cb 0.18 -1.32 0.09 0.00 0.10 0.00 0.00 66.02 65.07 2hye s SER 97 CO 0.30 0.35 0.13 -0.63 0.98 0.00 0.00 173.24 174.36 2hye s ILE 98 N -0.91 -0.10 0.02 -1.02 1.01 -1.26 -1.34 121.20 117.60 2hye s ILE 98 Ca 0.15 -0.57 0.05 0.00 0.00 0.00 0.00 60.65 60.28 2hye s ILE 98 Cb -0.11 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 2hye s ILE 98 CO 0.04 -0.58 -0.11 -1.81 0.00 0.00 0.00 174.94 172.48 2hye s ASP 99 N 2.13 4.28 -0.35 3.58 1.01 0.58 -4.99 116.67 122.92 2hye s ASP 99 Ca 0.07 -0.27 -0.09 0.00 0.71 0.00 0.00 52.55 52.97 2hye s ASP 99 Cb -0.16 -0.88 0.03 0.00 1.01 0.00 0.00 42.92 42.92 2hye s ASP 99 CO -0.29 0.27 0.16 -0.63 0.21 0.00 0.00 175.17 174.89 2hye s ILE 100 N -0.98 4.23 -0.00 0.77 1.01 -1.26 -1.50 121.20 123.47 2hye s ILE 100 Ca 0.16 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 2hye s ILE 100 Cb -0.11 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 2hye s ILE 100 CO 0.07 -0.18 0.30 0.27 0.00 0.00 0.00 174.94 175.40 2hye s ILE 101 N 1.49 5.24 -0.48 2.92 -4.36 -0.57 -4.90 121.20 120.55 2hye s ILE 101 Ca 0.01 0.36 -0.27 0.00 -0.26 0.00 0.00 60.65 60.48 2hye s ILE 101 Cb -0.19 -3.58 0.03 0.00 1.25 0.00 0.00 42.46 39.97 2hye s ILE 101 CO 0.05 0.43 1.05 -0.89 0.24 0.00 0.00 174.94 175.82 2hye s THR 102 N -1.23 4.31 -2.31 8.37 2.01 -1.26 -1.40 115.64 124.12 2hye s THR 102 Ca 0.26 0.96 0.21 0.00 0.31 0.00 0.00 61.69 63.42 2hye s THR 102 Cb -0.14 -4.54 0.44 0.00 0.01 0.00 0.00 72.50 68.27 2hye s THR 102 CO 0.14 -0.97 1.49 0.54 -0.69 0.00 0.00 174.62 175.12 2hye n ARG 103 N 7.60 1.94 0.00 4.92 5.12 -0.57 -4.94 116.66 130.73 2hye n ARG 103 Ca 0.09 -1.42 0.00 0.00 -1.93 0.00 0.00 57.85 54.59 2hye n ARG 103 Cb 0.49 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.37 2hye n ARG 103 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2hye n ALA 104 N 0.65 0.00 0.00 7.54 0.00 -1.25 -4.73 120.51 122.72 2hye n ALA 104 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2hye n ALA 104 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2hye n ALA 104 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2hye n HIS 105 N -0.48 0.00 -1.69 0.00 1.44 -0.42 -3.23 115.22 110.84 2hye n HIS 105 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2hye n HIS 105 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2hye n HIS 105 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2hye n GLY 106 N -0.24 2.51 2.75 -1.39 0.00 -1.02 -3.98 105.19 103.81 2hye n GLY 106 Ca 0.00 -0.52 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 2hye n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2hye s ASN 107 N 2.00 1.35 -0.21 1.61 3.84 -1.26 -2.04 114.94 120.23 2hye s ASN 107 Ca 0.00 -0.09 0.03 0.00 0.21 0.00 0.00 52.86 53.02 2hye s ASN 107 Cb 0.00 0.16 0.36 0.00 -0.55 0.00 0.00 41.25 41.23 2hye s ASN 107 CO 0.00 -0.30 1.41 1.33 -2.79 0.00 0.00 177.10 176.75 2hye n VAL 108 N 5.31 1.99 -2.93 -5.21 0.24 -1.06 -4.93 118.33 111.75 2hye n VAL 108 Ca -0.05 -0.93 -0.40 0.00 -2.04 0.00 0.00 64.34 60.91 2hye n VAL 108 Cb 0.50 -0.66 -0.04 0.00 -1.47 0.00 0.00 33.84 32.16 2hye n VAL 108 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2hye s GLN 109 N -1.74 4.50 0.01 7.34 0.74 -1.26 -5.05 119.66 124.19 2hye s GLN 109 Ca 0.29 1.10 -0.05 0.00 0.05 0.00 0.00 55.36 56.75 2hye s GLN 109 Cb 0.24 -3.42 -0.05 0.00 1.10 0.00 0.00 33.01 30.88 2hye s GLN 109 CO 0.06 0.10 0.24 -0.51 -0.55 0.00 0.00 175.29 174.63 2hye s ASP 110 N 0.59 6.45 0.26 6.67 -0.00 -1.26 -5.01 116.67 124.37 2hye s ASP 110 Ca 0.42 0.48 0.10 0.00 -0.00 0.00 0.00 52.55 53.55 2hye s ASP 110 Cb -0.20 -2.06 0.32 0.00 -0.00 0.00 0.00 42.92 40.99 2hye s ASP 110 CO 0.23 0.24 1.59 -0.09 -0.00 0.00 0.00 175.17 177.14 2hye h ARG 111 N 3.85 0.02 0.00 8.23 9.65 -2.03 -3.42 114.38 130.68 2hye h ARG 111 Ca -0.49 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 2hye h ARG 111 Cb 1.19 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 2hye h ARG 111 CO 0.68 0.65 0.00 0.44 2.80 0.00 0.00 179.97 184.53 2hye n ILE 112 N -3.79 0.00 -1.56 1.20 -0.00 -1.26 -5.07 119.36 108.88 2hye n ILE 112 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 62.75 62.82 2hye n ILE 112 Cb 0.63 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 40.22 2hye n ILE 112 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2hye n GLY 113 N 5.00 -3.79 3.02 3.28 0.00 -1.26 -4.96 105.19 106.49 2hye n GLY 113 Ca 0.00 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 2hye n GLY 113 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hye s ARG 114 N -4.97 2.13 -0.91 1.61 3.52 -1.26 -4.96 118.95 114.11 2hye s ARG 114 Ca 0.00 -1.04 -0.16 0.00 -0.13 0.00 0.00 55.73 54.40 2hye s ARG 114 Cb 0.00 -2.62 -0.25 0.00 -1.56 0.00 0.00 34.95 30.51 2hye s ARG 114 CO 0.00 -0.48 2.27 -2.30 -0.81 0.00 0.00 175.30 173.98 2hye n PRO 115 N 4.59 0.24 -1.07 5.12 -0.02 -1.26 -0.72 135.00 141.88 2hye n PRO 115 Ca -0.15 -0.35 -0.36 0.00 -2.02 0.00 0.00 63.50 60.63 2hye n PRO 115 Cb 0.45 -2.13 0.05 0.00 -0.02 0.00 0.00 33.50 31.85 2hye n PRO 115 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2hye n SER 116 N 11.07 -4.01 -4.93 2.55 7.64 -1.21 -4.93 113.62 119.80 2hye n SER 116 Ca 0.59 0.38 -0.26 0.00 1.01 0.00 0.00 58.87 60.60 2hye n SER 116 Cb 0.26 -0.94 0.07 0.00 -1.01 0.00 0.00 64.21 62.59 2hye n SER 116 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2hye s GLU 117 N -2.20 2.20 0.00 1.43 2.12 -1.26 -3.62 118.70 117.37 2hye s GLU 117 Ca 0.51 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.56 2hye s GLU 117 Cb -0.28 -2.18 0.00 0.00 0.26 0.00 0.00 34.13 31.92 2hye s GLU 117 CO 0.72 -1.22 0.00 2.41 -0.54 0.00 0.00 175.26 176.63 2hye n THR 118 N -2.90 0.00 -4.70 -1.70 -1.04 -1.26 -4.89 114.28 97.79 2hye n THR 118 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.09 2hye n THR 118 Cb 0.60 -0.04 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 2hye n THR 118 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2hye n GLY 119 N -2.00 -0.55 3.64 3.41 0.00 -1.24 -4.77 105.19 103.69 2hye n GLY 119 Ca 0.00 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 2hye n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hye s ILE 120 N 0.00 3.89 -0.11 -0.61 -1.09 -1.26 -4.84 121.20 117.18 2hye s ILE 120 Ca 0.00 1.04 -0.05 0.00 -2.23 0.00 0.00 60.65 59.41 2hye s ILE 120 Cb 0.00 -3.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 2hye s ILE 120 CO 0.00 -0.22 0.08 -0.63 -1.23 0.00 0.00 174.94 172.94 2hye s ILE 121 N 4.36 5.02 -0.17 2.92 -1.09 -0.99 -4.93 121.20 126.31 2hye s ILE 121 Ca 0.65 0.02 -0.02 0.00 -2.23 0.00 0.00 60.65 59.08 2hye s ILE 121 Cb -0.25 -3.16 0.05 0.00 -1.58 0.00 0.00 42.46 37.52 2hye s ILE 121 CO 0.24 0.61 0.00 -0.83 -1.23 0.00 0.00 174.94 173.74 2hye s GLY 122 N -0.96 0.76 0.18 6.18 0.00 -1.26 -2.13 107.32 110.10 2hye s GLY 122 Ca 0.14 -0.68 0.04 0.00 0.00 0.00 0.00 44.72 44.22 2hye s GLY 122 CO 0.03 1.23 -0.05 -0.26 0.00 0.00 0.00 173.10 174.05 2hye s ILE 123 N 1.79 1.07 -0.02 0.90 -4.36 0.06 -4.94 121.20 115.71 2hye s ILE 123 Ca 0.00 -2.04 0.01 0.00 -0.26 0.00 0.00 60.65 58.36 2hye s ILE 123 Cb -0.16 -2.07 0.01 0.00 1.25 0.00 0.00 42.46 41.49 2hye s ILE 123 CO -0.07 -0.55 -0.03 -0.63 0.24 0.00 0.00 174.94 173.89 2hye s ILE 124 N -3.40 0.32 0.26 8.37 1.01 -1.26 0.70 121.20 127.21 2hye s ILE 124 Ca 0.22 -0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.48 2hye s ILE 124 Cb 0.04 -0.32 -0.09 0.00 0.01 0.00 0.00 42.46 42.10 2hye s ILE 124 CO 0.04 0.13 1.28 -0.62 0.00 0.00 0.00 174.94 175.76 2hye s ASP 125 N 0.35 6.90 0.56 3.58 2.15 -1.15 -4.70 116.67 124.36 2hye s ASP 125 Ca -0.04 2.49 0.24 0.00 0.43 0.00 0.00 52.55 55.67 2hye s ASP 125 Cb -0.07 -2.63 1.57 0.00 -0.30 0.00 0.00 42.92 41.50 2hye s ASP 125 CO -0.01 -0.47 2.20 -0.65 -0.17 0.00 0.00 175.17 176.07 2hye h PRO 126 N 4.38 0.00 0.00 4.34 0.11 -1.93 0.61 132.00 139.51 2hye h PRO 126 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2hye h PRO 126 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2hye h PRO 126 CO 0.71 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.89 2hye n GLU 127 N -4.16 0.71 -3.87 1.05 1.02 -1.26 -4.85 120.64 109.28 2hye n GLU 127 Ca -0.03 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.83 2hye n GLU 127 Cb 0.10 -1.43 -0.05 0.00 -0.02 0.00 0.00 31.44 30.04 2hye n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hye h ARG 129 N -0.60 0.00 -1.83 0.00 3.08 -1.89 -3.47 114.38 109.68 2hye h ARG 129 Ca -0.40 0.00 0.19 0.00 0.07 0.00 0.00 59.98 59.84 2hye h ARG 129 Cb 1.26 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.14 2hye h ARG 129 CO 0.60 0.13 0.67 0.00 -1.07 0.00 0.00 179.97 180.31 2hye s MET 130 N -3.17 0.53 0.14 0.04 0.23 -1.26 -2.10 119.30 113.71 2hye s MET 130 Ca -0.00 -0.20 0.03 0.00 -1.03 0.00 0.00 55.69 54.49 2hye s MET 130 Cb 0.09 0.25 -0.04 0.00 -1.53 0.00 0.00 34.83 33.60 2hye s MET 130 CO 0.79 -0.23 0.22 0.42 -2.03 0.00 0.00 175.02 174.19 2hye s ILE 131 N -2.73 5.05 -0.04 3.16 1.01 -0.85 -2.94 121.20 123.87 2hye s ILE 131 Ca 0.07 -0.77 0.06 0.00 0.00 0.00 0.00 60.65 60.01 2hye s ILE 131 Cb -0.01 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 2hye s ILE 131 CO -0.07 -0.06 -0.22 -0.83 0.00 0.00 0.00 174.94 173.76 2hye s GLY 132 N -3.08 1.13 -0.30 6.18 0.00 0.22 -1.61 107.32 109.86 2hye s GLY 132 Ca 0.33 -0.93 -0.01 0.00 0.00 0.00 0.00 44.72 44.11 2hye s GLY 132 CO 0.27 -0.63 0.09 1.08 0.00 0.00 0.00 173.10 173.91 2hye s LEU 133 N -0.24 1.93 -1.00 0.66 1.02 -0.83 -0.76 118.68 119.46 2hye s LEU 133 Ca 0.01 -1.51 -0.22 0.00 0.02 0.00 0.00 54.13 52.43 2hye s LEU 133 Cb -0.11 -0.78 0.07 0.00 0.02 0.00 0.00 46.19 45.39 2hye s LEU 133 CO 0.02 -0.41 1.38 -0.60 0.02 0.00 0.00 176.35 176.76 2hye s ARG 134 N 1.70 3.59 -0.03 1.70 3.00 -0.90 -2.85 118.95 125.15 2hye s ARG 134 Ca 0.08 -1.26 -0.03 0.00 -1.00 0.00 0.00 55.73 53.53 2hye s ARG 134 Cb -0.17 -5.26 -0.01 0.00 0.00 0.00 0.00 34.95 29.51 2hye s ARG 134 CO -0.25 -2.11 -0.05 1.28 0.00 0.00 0.00 175.30 174.17 2hye n LEU 135 N 8.36 0.40 -5.00 -0.88 4.77 -1.26 -2.36 117.00 121.04 2hye n LEU 135 Ca 0.31 0.24 -0.20 0.00 -0.03 0.00 0.00 56.01 56.33 2hye n LEU 135 Cb 0.51 -0.57 0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2hye n LEU 135 CO 0.62 -0.48 0.24 -0.31 -1.33 0.00 0.00 177.39 176.14 2hye s TYR 136 N -1.32 1.86 0.21 -1.77 1.51 -1.26 -3.34 117.35 113.23 2hye s TYR 136 Ca -0.04 -0.65 -0.30 0.00 -1.01 0.00 0.00 57.07 55.07 2hye s TYR 136 Cb 0.01 -2.21 -0.08 0.00 -0.11 0.00 0.00 41.96 39.56 2hye s TYR 136 CO 0.06 -0.83 1.10 -0.51 -1.11 0.00 0.00 175.55 174.26 2hye s ASP 137 N -4.51 7.28 -1.60 2.29 1.01 0.10 -3.77 116.67 117.46 2hye s ASP 137 Ca 0.56 2.14 -0.01 0.00 0.71 0.00 0.00 52.55 55.94 2hye s ASP 137 Cb -0.06 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.26 2hye s ASP 137 CO 0.35 -0.19 0.16 0.61 0.21 0.00 0.00 175.17 176.31 2hye n GLY 138 N 1.80 -0.43 2.87 0.21 0.00 -1.26 -4.75 105.19 103.63 2hye n GLY 138 Ca 0.02 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2hye n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hye s LEU 139 N -5.77 -0.53 -1.02 0.99 1.43 -1.25 -0.97 118.68 111.57 2hye s LEU 139 Ca 0.08 -0.85 -0.17 0.00 -1.03 0.00 0.00 54.13 52.16 2hye s LEU 139 Cb -0.04 0.91 0.14 0.00 0.03 0.00 0.00 46.19 47.24 2hye s LEU 139 CO 0.10 -0.32 1.22 0.12 0.23 0.00 0.00 176.35 177.70 2hye s PHE 140 N 2.11 3.25 0.53 0.29 5.36 -0.96 -4.22 117.98 124.34 2hye s PHE 140 Ca 0.12 -1.63 -0.22 0.00 -0.96 0.00 0.00 56.93 54.24 2hye s PHE 140 Cb -0.13 -4.29 -0.06 0.00 -0.34 0.00 0.00 43.02 38.21 2hye s PHE 140 CO -0.20 -1.45 1.25 1.17 -1.46 0.00 0.00 175.22 174.52 2hye n LYS 141 N 6.23 1.56 -4.35 10.12 4.81 -1.13 -3.43 118.16 131.97 2hye n LYS 141 Ca 0.28 0.57 -0.18 0.00 -0.87 0.00 0.00 58.31 58.11 2hye n LYS 141 Cb 0.47 -2.44 -0.14 0.00 0.02 0.00 0.00 35.03 32.94 2hye n LYS 141 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2hye s VAL 142 N -1.31 0.77 -0.08 3.15 1.01 -0.84 -1.96 120.40 121.14 2hye s VAL 142 Ca 0.70 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 62.17 2hye s VAL 142 Cb -0.44 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 2hye s VAL 142 CO 0.51 0.12 -0.21 -0.63 0.00 0.00 0.00 175.10 174.88 2hye s ILE 143 N -0.42 2.36 -0.14 2.22 1.01 -0.63 -2.30 121.20 123.31 2hye s ILE 143 Ca 0.02 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 59.44 2hye s ILE 143 Cb -0.05 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 2hye s ILE 143 CO -0.00 0.56 1.04 -2.84 0.00 0.00 0.00 174.94 173.70 2hye s PRO 144 N 0.03 4.37 -0.23 2.79 0.02 -1.26 -2.00 135.00 138.71 2hye s PRO 144 Ca -0.08 1.42 -0.02 0.00 0.02 0.00 0.00 61.00 62.33 2hye s PRO 144 Cb -0.15 -3.58 0.07 0.00 0.02 0.00 0.00 34.50 30.86 2hye s PRO 144 CO 0.05 -0.43 2.41 -0.11 -0.33 0.00 0.00 177.00 178.60 2hye n LEU 145 N 5.44 6.05 -4.73 -5.54 7.94 -0.89 -4.84 117.00 120.43 2hye n LEU 145 Ca 0.10 -3.26 -0.41 0.00 -1.11 0.00 0.00 56.01 51.33 2hye n LEU 145 Cb 0.48 -1.16 -0.04 0.00 0.53 0.00 0.00 43.42 43.22 2hye n LEU 145 CO 0.52 1.36 0.63 -1.81 -1.11 0.00 0.00 177.39 176.98 2hye s ASP 146 N 0.87 7.41 0.00 1.96 1.01 -1.26 -4.90 116.67 121.76 2hye s ASP 146 Ca 0.35 1.69 0.00 0.00 0.71 0.00 0.00 52.55 55.31 2hye s ASP 146 Cb 0.23 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.60 2hye s ASP 146 CO -0.05 -0.11 0.00 0.54 0.21 0.00 0.00 175.17 175.76 2hye n ARG 147 N 3.11 0.00 -0.36 8.23 5.12 -1.26 -1.15 116.66 130.35 2hye n ARG 147 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 2hye n ARG 147 Cb 0.50 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.38 2hye n ARG 147 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2hye n ASP 148 N 0.95 0.00 -3.23 0.55 3.85 -1.26 -4.95 116.55 112.46 2hye n ASP 148 Ca 0.00 -1.12 -0.37 0.00 -0.71 0.00 0.00 54.79 52.58 2hye n ASP 148 Cb 0.00 -0.02 -0.00 0.00 -1.35 0.00 0.00 41.12 39.74 2hye n ASP 148 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 2hye n ASN 149 N 0.00 7.46 0.17 -1.12 2.85 -0.30 -4.68 115.26 119.63 2hye n ASN 149 Ca 0.00 -3.40 0.04 0.00 -0.11 0.00 0.00 54.58 51.11 2hye n ASN 149 Cb 0.52 -1.24 0.44 0.00 1.24 0.00 0.00 39.78 40.74 2hye n ASN 149 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 2hye h LYS 150 N 3.92 0.12 -6.96 1.20 1.63 -1.85 -3.26 116.57 111.37 2hye h LYS 150 Ca 0.57 -0.03 -0.45 0.00 -0.85 0.00 0.00 60.65 59.90 2hye h LYS 150 Cb 0.36 -0.02 0.05 0.00 -0.60 0.00 0.00 32.23 32.02 2hye h LYS 150 CO 1.26 0.29 0.04 -1.21 -3.45 0.00 0.00 179.45 176.38 2hye s GLU 151 N -4.67 2.50 -0.06 1.90 2.02 -1.26 -1.30 118.70 117.83 2hye s GLU 151 Ca -0.05 -0.58 0.08 0.00 0.02 0.00 0.00 54.97 54.44 2hye s GLU 151 Cb 0.16 -2.40 0.14 0.00 0.10 0.00 0.00 34.13 32.13 2hye s GLU 151 CO 0.72 -0.82 1.08 1.28 0.02 0.00 0.00 175.26 177.54 2hye n LEU 152 N -2.49 2.23 -2.09 1.80 4.77 -1.23 -4.66 117.00 115.33 2hye n LEU 152 Ca 0.07 -2.46 -0.24 0.00 -0.03 0.00 0.00 56.01 53.35 2hye n LEU 152 Cb 0.60 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.47 2hye n LEU 152 CO 0.47 0.60 0.07 0.29 -1.33 0.00 0.00 177.39 177.49 2hye n LYS 153 N -0.83 0.00 -4.04 3.23 4.76 -1.26 -4.85 118.16 115.18 2hye n LYS 153 Ca 0.07 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.44 2hye n LYS 153 Cb 0.43 -0.54 -0.09 0.00 -1.84 0.00 0.00 35.03 32.99 2hye n LYS 153 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2hye s ALA 154 N -0.34 0.33 0.58 7.82 0.00 -1.26 -4.58 121.76 124.31 2hye s ALA 154 Ca 0.34 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 51.31 2hye s ALA 154 Cb -0.48 0.31 0.08 0.00 0.00 0.00 0.00 23.12 23.03 2hye s ALA 154 CO 0.27 -0.39 0.80 -0.59 0.00 0.00 0.00 175.76 175.85 2hye s PHE 155 N -3.79 1.74 -0.05 0.00 -0.12 -0.97 -4.95 117.98 109.83 2hye s PHE 155 Ca 0.06 -0.53 -0.01 0.00 -0.05 0.00 0.00 56.93 56.39 2hye s PHE 155 Cb 0.07 -2.45 0.03 0.00 -0.63 0.00 0.00 43.02 40.04 2hye s PHE 155 CO -0.10 -1.16 0.03 1.21 -0.05 0.00 0.00 175.22 175.15 2hye s ASN 156 N -4.62 1.23 0.36 1.98 3.04 -1.26 -1.98 114.94 113.69 2hye s ASN 156 Ca 0.62 -0.00 0.03 0.00 0.04 0.00 0.00 52.86 53.54 2hye s ASN 156 Cb -0.07 -0.28 -0.02 0.00 -1.54 0.00 0.00 41.25 39.35 2hye s ASN 156 CO 0.39 -0.21 0.54 -0.63 -3.04 0.00 0.00 177.10 174.15 2hye s ILE 157 N 1.94 4.53 0.36 -5.21 -1.09 -1.22 -4.96 121.20 115.55 2hye s ILE 157 Ca 0.03 -0.69 -0.05 0.00 -2.23 0.00 0.00 60.65 57.71 2hye s ILE 157 Cb -0.12 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 37.08 2hye s ILE 157 CO -0.04 -0.35 0.64 -0.13 -1.23 0.00 0.00 174.94 173.83 2hye s ARG 158 N -4.30 3.61 -0.05 2.79 1.81 -1.26 -2.26 118.95 119.29 2hye s ARG 158 Ca 0.43 0.07 0.00 0.00 -1.72 0.00 0.00 55.73 54.51 2hye s ARG 158 Cb -0.10 -2.54 0.02 0.00 -0.45 0.00 0.00 34.95 31.89 2hye s ARG 158 CO 0.34 0.06 -0.02 -0.51 -0.68 0.00 0.00 175.30 174.49 2hye s LEU 159 N -4.02 1.13 0.00 2.53 1.43 -0.14 -4.73 118.68 114.88 2hye s LEU 159 Ca 0.45 -0.09 0.15 0.00 -1.03 0.00 0.00 54.13 53.61 2hye s LEU 159 Cb -0.10 -0.39 0.54 0.00 0.03 0.00 0.00 46.19 46.26 2hye s LEU 159 CO 0.35 -0.10 1.40 1.21 0.23 0.00 0.00 176.35 179.44 2hye n GLU 160 N 4.31 1.69 -3.84 1.70 4.07 -1.26 -4.49 120.64 122.82 2hye n GLU 160 Ca -0.21 -1.06 -0.30 0.00 -0.06 0.00 0.00 57.16 55.53 2hye n GLU 160 Cb 0.51 -1.32 -0.14 0.00 -0.06 0.00 0.00 31.44 30.43 2hye n GLU 160 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 2hye s GLU 161 N -1.70 1.56 0.06 5.31 8.01 -1.26 -5.03 118.70 125.65 2hye s GLU 161 Ca 0.27 -2.20 -0.34 0.00 0.01 0.00 0.00 54.97 52.70 2hye s GLU 161 Cb 0.14 -2.81 -0.19 0.00 -4.31 0.00 0.00 34.13 26.97 2hye s GLU 161 CO 0.20 -1.11 1.51 -0.07 0.01 0.00 0.00 175.26 175.80 2hye h LEU 162 N 6.79 -1.05 -8.40 1.80 3.38 -1.90 -3.39 115.31 112.52 2hye h LEU 162 Ca -0.05 0.04 -0.51 0.00 0.09 0.00 0.00 57.88 57.45 2hye h LEU 162 Cb 0.92 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 2hye h LEU 162 CO 0.57 -0.74 1.21 -2.28 0.09 0.00 0.00 178.44 177.29 2hye s HIS 163 N -5.69 1.97 0.17 1.13 2.46 -1.26 -4.13 115.29 109.93 2hye s HIS 163 Ca -0.18 0.36 0.07 0.00 0.47 0.00 0.00 55.06 55.77 2hye s HIS 163 Cb 0.02 -4.34 -0.04 0.00 -0.13 0.00 0.00 32.58 28.09 2hye s HIS 163 CO 0.54 -2.17 0.02 0.08 -2.47 0.00 0.00 174.74 170.74 2hye s VAL 164 N 7.55 3.84 -0.01 0.89 1.01 -1.26 0.16 120.40 132.57 2hye s VAL 164 Ca 0.53 -1.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 2hye s VAL 164 Cb -0.10 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 2hye s VAL 164 CO 0.16 -0.09 -0.08 -0.38 0.00 0.00 0.00 175.10 174.71 2hye n ILE 165 N -0.09 0.68 -4.18 2.22 2.08 0.62 -4.89 119.36 115.78 2hye n ILE 165 Ca -0.10 0.26 -0.18 0.00 0.56 0.00 0.00 62.75 63.29 2hye n ILE 165 Cb 0.55 -1.58 -0.12 0.00 -0.75 0.00 0.00 39.64 37.74 2hye n ILE 165 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2hye s ASP 166 N -5.26 1.74 -0.02 4.38 3.68 -1.23 -4.96 116.67 114.99 2hye s ASP 166 Ca -0.06 -0.66 -0.05 0.00 2.13 0.00 0.00 52.55 53.91 2hye s ASP 166 Cb 0.01 -0.05 0.00 0.00 -1.45 0.00 0.00 42.92 41.43 2hye s ASP 166 CO 0.10 -0.09 0.12 -0.69 0.13 0.00 0.00 175.17 174.73 2hye s VAL 167 N -1.46 0.05 -0.29 1.11 1.01 -1.26 -1.65 120.40 117.92 2hye s VAL 167 Ca 0.00 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.44 2hye s VAL 167 Cb -0.09 -0.30 0.12 0.00 0.00 0.00 0.00 36.38 36.11 2hye s VAL 167 CO 0.02 -0.22 0.82 -0.54 0.00 0.00 0.00 175.10 175.18 2hye s LYS 168 N -0.71 0.53 1.04 2.72 1.02 -0.41 -4.92 119.74 119.01 2hye s LYS 168 Ca -0.08 1.01 -0.11 0.00 0.02 0.00 0.00 55.97 56.81 2hye s LYS 168 Cb -0.05 0.26 0.22 0.00 -0.52 0.00 0.00 37.83 37.73 2hye s LYS 168 CO 0.01 -0.13 1.09 -0.06 -0.92 0.00 0.00 175.35 175.34 2hye s PHE 169 N 1.80 1.45 0.04 3.18 0.40 -1.26 -2.56 117.98 121.03 2hye s PHE 169 Ca -0.08 1.52 0.06 0.00 -0.60 0.00 0.00 56.93 57.82 2hye s PHE 169 Cb -0.06 -3.23 -0.03 0.00 0.51 0.00 0.00 43.02 40.21 2hye s PHE 169 CO -0.18 -3.36 -0.12 -0.51 0.70 0.00 0.00 175.22 171.75 2hye s LEU 170 N -6.93 2.91 1.19 -0.37 1.43 0.98 -4.82 118.68 113.08 2hye s LEU 170 Ca 0.68 -0.31 -0.20 0.00 -1.03 0.00 0.00 54.13 53.27 2hye s LEU 170 Cb -0.24 -1.70 0.29 0.00 0.03 0.00 0.00 46.19 44.57 2hye s LEU 170 CO 0.61 0.25 1.15 -0.31 0.23 0.00 0.00 176.35 178.28 2hye s TYR 171 N -1.01 0.44 -0.15 0.29 1.51 -1.26 -4.50 117.35 112.67 2hye s TYR 171 Ca 0.17 0.40 -0.06 0.00 -1.01 0.00 0.00 57.07 56.57 2hye s TYR 171 Cb -0.11 -3.59 0.01 0.00 -0.11 0.00 0.00 41.96 38.16 2hye s TYR 171 CO 0.08 -3.81 0.16 0.41 -1.11 0.00 0.00 175.55 171.28 2hye n GLY 172 N -1.40 -0.11 3.26 0.71 0.00 -1.26 -4.91 105.19 101.48 2hye n GLY 172 Ca 0.15 0.23 -0.10 0.00 0.00 0.00 0.00 46.02 46.30 2hye n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hye h GLN 174 N 7.52 0.22 -6.65 0.00 4.20 -1.98 -3.39 115.11 115.03 2hye h GLN 174 Ca -0.29 -0.01 -0.70 0.00 0.06 0.00 0.00 58.65 57.71 2hye h GLN 174 Cb 1.16 -0.05 -0.28 0.00 0.30 0.00 0.00 27.48 28.60 2hye h GLN 174 CO 0.23 0.15 -0.88 0.00 -0.67 0.00 0.00 178.83 177.65 2hye s ALA 175 N -5.78 2.21 -0.26 3.87 0.00 -1.26 -5.07 121.76 115.48 2hye s ALA 175 Ca -0.11 -1.18 -0.35 0.00 0.00 0.00 0.00 51.96 50.32 2hye s ALA 175 Cb 0.29 -0.53 -0.12 0.00 0.00 0.00 0.00 23.12 22.76 2hye s ALA 175 CO 0.78 0.53 2.03 -2.30 0.00 0.00 0.00 175.76 176.81 2hye n PRO 176 N 2.17 1.47 -3.83 0.00 -0.02 -1.26 -4.86 135.00 128.68 2hye n PRO 176 Ca -0.16 0.47 -0.36 0.00 -2.02 0.00 0.00 63.50 61.43 2hye n PRO 176 Cb 0.51 -2.52 -0.10 0.00 -0.02 0.00 0.00 33.50 31.38 2hye n PRO 176 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2hye s THR 177 N 5.87 4.97 -0.31 3.45 -4.23 -1.26 -1.79 115.64 122.35 2hye s THR 177 Ca 1.02 0.04 -0.03 0.00 -1.18 0.00 0.00 61.69 61.54 2hye s THR 177 Cb -0.81 -3.28 0.04 0.00 1.34 0.00 0.00 72.50 69.79 2hye s THR 177 CO 0.52 0.40 0.03 -0.63 -0.54 0.00 0.00 174.62 174.39 2hye s ILE 178 N 0.81 3.24 -0.05 2.99 1.09 -0.06 -0.01 121.20 129.21 2hye s ILE 178 Ca 0.05 -1.25 -0.04 0.00 -1.10 0.00 0.00 60.65 58.31 2hye s ILE 178 Cb -0.13 -2.82 -0.04 0.00 -1.06 0.00 0.00 42.46 38.41 2hye s ILE 178 CO 0.02 -0.09 0.17 0.00 -0.10 0.00 0.00 174.94 174.94 2hye s PHE 180 N -1.22 -0.22 -0.11 0.00 -0.00 -1.00 -1.29 117.98 114.14 2hye s PHE 180 Ca 0.23 -0.15 0.03 0.00 -0.00 0.00 0.00 56.93 57.04 2hye s PHE 180 Cb -0.12 0.67 -0.01 0.00 -0.00 0.00 0.00 43.02 43.56 2hye s PHE 180 CO 0.14 -1.05 -0.21 0.08 -0.00 0.00 0.00 175.22 174.18 2hye s VAL 181 N -3.70 2.37 0.09 -2.49 1.01 -0.66 -2.74 120.40 114.28 2hye s VAL 181 Ca 0.10 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.21 2hye s VAL 181 Cb -0.04 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2hye s VAL 181 CO 0.03 0.55 -0.12 -0.72 0.00 0.00 0.00 175.10 174.84 2hye s TYR 182 N 0.31 1.11 0.06 5.22 -0.85 -0.47 0.23 117.35 122.97 2hye s TYR 182 Ca -0.16 -0.56 0.06 0.00 -0.52 0.00 0.00 57.07 55.90 2hye s TYR 182 Cb -0.17 -0.61 -0.04 0.00 0.38 0.00 0.00 41.96 41.52 2hye s TYR 182 CO 0.08 0.03 -0.12 -1.14 -1.52 0.00 0.00 175.55 172.87 2hye s GLN 183 N -2.28 2.17 0.27 -3.49 0.74 0.12 -1.52 119.66 115.67 2hye s GLN 183 Ca 0.02 -0.96 -0.01 0.00 0.05 0.00 0.00 55.36 54.46 2hye s GLN 183 Cb -0.06 -2.30 0.00 0.00 1.10 0.00 0.00 33.01 31.75 2hye s GLN 183 CO 0.01 0.54 0.36 -0.40 -0.55 0.00 0.00 175.29 175.25 2hye n ASP 184 N 1.16 -1.01 -0.01 6.67 5.68 -0.47 -4.33 116.55 124.24 2hye n ASP 184 Ca -0.15 -2.47 -0.11 0.00 -0.50 0.00 0.00 54.79 51.57 2hye n ASP 184 Cb 0.52 1.90 -0.05 0.00 -1.14 0.00 0.00 41.12 42.36 2hye n ASP 184 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 2hye h PRO 185 N 0.00 0.12 -0.13 0.11 0.11 -2.03 -2.50 132.00 127.68 2hye h PRO 185 Ca -0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2hye h PRO 185 Cb 0.91 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2hye h PRO 185 CO 0.28 0.08 0.00 1.04 -0.21 0.00 0.00 178.00 179.19 2hye n GLN 186 N -5.03 0.46 0.00 1.05 3.00 -1.26 -4.94 117.38 110.66 2hye n GLN 186 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2hye n GLN 186 Cb 0.04 -1.06 0.00 0.00 0.00 0.00 0.00 30.24 29.21 2hye n GLN 186 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2hye n GLY 187 N 0.05 -0.86 3.37 1.08 0.00 -0.94 -4.95 105.19 102.93 2hye n GLY 187 Ca 0.00 -2.17 -0.44 0.00 0.00 0.00 0.00 46.02 43.41 2hye n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hye s ARG 188 N 0.00 2.95 0.34 1.61 0.52 -1.26 -1.37 118.95 121.73 2hye s ARG 188 Ca 0.00 -1.39 -0.09 0.00 -0.52 0.00 0.00 55.73 53.73 2hye s ARG 188 Cb 0.00 -4.12 -0.07 0.00 0.52 0.00 0.00 34.95 31.29 2hye s ARG 188 CO 0.00 -1.04 0.67 -1.01 0.02 0.00 0.00 175.30 173.94 2hye s HIS 189 N 1.62 3.45 -0.39 -0.53 3.76 -0.58 -3.01 115.29 119.61 2hye s HIS 189 Ca 0.04 0.93 0.01 0.00 -0.15 0.00 0.00 55.06 55.90 2hye s HIS 189 Cb -0.25 -2.34 0.12 0.00 1.11 0.00 0.00 32.58 31.23 2hye s HIS 189 CO 0.06 0.05 0.18 0.54 -0.85 0.00 0.00 174.74 174.72 2hye s VAL 190 N -2.16 1.31 0.27 -0.90 0.11 -1.25 -1.36 120.40 116.40 2hye s VAL 190 Ca 0.49 -2.17 0.03 0.00 -2.93 0.00 0.00 61.98 57.39 2hye s VAL 190 Cb -0.11 -1.94 0.03 0.00 -1.53 0.00 0.00 36.38 32.83 2hye s VAL 190 CO 0.28 -0.80 0.21 2.29 -3.33 0.00 0.00 175.10 173.75 2hye n LYS 191 N 4.01 1.07 -4.63 1.54 2.85 -1.11 -3.45 118.16 118.45 2hye n LYS 191 Ca 0.05 -1.64 -0.29 0.00 -1.05 0.00 0.00 58.31 55.37 2hye n LYS 191 Cb 0.37 0.15 -0.08 0.00 -0.65 0.00 0.00 35.03 34.82 2hye n LYS 191 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2hye s THR 192 N -1.26 0.88 -0.18 0.58 -4.23 -1.25 -2.37 115.64 107.82 2hye s THR 192 Ca 0.16 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.40 2hye s THR 192 Cb -0.01 -2.28 0.08 0.00 1.34 0.00 0.00 72.50 71.63 2hye s THR 192 CO 0.10 0.00 0.77 -0.31 -0.54 0.00 0.00 174.62 174.65 2hye s TYR 193 N -3.05 -0.66 -0.02 3.99 4.12 -0.86 -3.84 117.35 117.04 2hye s TYR 193 Ca 0.16 1.41 -0.01 0.00 0.02 0.00 0.00 57.07 58.64 2hye s TYR 193 Cb 0.02 0.35 -0.04 0.00 -1.52 0.00 0.00 41.96 40.78 2hye s TYR 193 CO 0.09 -0.44 0.10 -1.21 0.02 0.00 0.00 175.55 174.11 2hye s GLU 194 N -0.37 3.16 0.00 -0.62 2.02 -1.26 -0.88 118.70 120.75 2hye s GLU 194 Ca -0.04 -0.43 0.06 0.00 0.02 0.00 0.00 54.97 54.58 2hye s GLU 194 Cb -0.03 -2.92 -0.02 0.00 0.10 0.00 0.00 34.13 31.26 2hye s GLU 194 CO 0.03 0.66 -0.17 0.14 0.02 0.00 0.00 175.26 175.95 2hye s VAL 195 N -1.20 1.37 -0.03 2.63 -7.23 -0.74 -0.72 120.40 114.48 2hye s VAL 195 Ca 0.23 -0.84 0.02 0.00 -1.81 0.00 0.00 61.98 59.58 2hye s VAL 195 Cb -0.12 -1.16 0.01 0.00 0.56 0.00 0.00 36.38 35.67 2hye s VAL 195 CO 0.14 0.31 -0.06 -0.94 -0.31 0.00 0.00 175.10 174.23 2hye s SER 196 N -0.61 0.93 0.27 4.85 1.04 -1.19 -4.19 113.70 114.79 2hye s SER 196 Ca 0.06 -0.14 0.14 0.00 0.48 0.00 0.00 55.95 56.49 2hye s SER 196 Cb -0.07 -0.30 0.24 0.00 0.10 0.00 0.00 66.02 65.99 2hye s SER 196 CO -0.00 0.02 1.52 -0.07 0.98 0.00 0.00 173.24 175.69 2hye h LEU 197 N 6.60 0.00 0.04 2.42 3.38 -1.98 -2.11 115.31 123.66 2hye h LEU 197 Ca -0.34 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 2hye h LEU 197 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2hye h LEU 197 CO 0.49 0.60 -0.02 -0.09 0.09 0.00 0.00 178.44 179.50 2hye h ARG 198 N 0.00 -0.06 0.00 1.13 9.65 -1.96 -3.24 114.38 119.90 2hye h ARG 198 Ca -0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2hye h ARG 198 Cb 1.28 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.87 2hye h ARG 198 CO 0.08 0.58 0.00 0.39 2.80 0.00 0.00 179.97 183.82 2hye n GLU 199 N -4.75 0.07 -4.13 0.20 1.02 -1.25 -4.92 120.64 106.88 2hye n GLU 199 Ca -0.08 0.24 -0.33 0.00 -0.02 0.00 0.00 57.16 56.98 2hye n GLU 199 Cb 0.32 -1.61 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 2hye n GLU 199 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2hye n LYS 200 N -1.74 -1.48 -3.92 3.49 5.02 -0.79 -4.91 118.16 113.83 2hye n LYS 200 Ca 0.04 0.20 -0.01 0.00 -2.02 0.00 0.00 58.31 56.52 2hye n LYS 200 Cb 0.24 -3.68 0.02 0.00 -0.02 0.00 0.00 35.03 31.58 2hye n LYS 200 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2hye s GLU 201 N -7.07 0.97 0.06 1.97 2.02 -1.23 -4.92 118.70 110.52 2hye s GLU 201 Ca 0.13 -0.63 -0.10 0.00 0.02 0.00 0.00 54.97 54.40 2hye s GLU 201 Cb -0.06 0.27 -0.06 0.00 0.10 0.00 0.00 34.13 34.38 2hye s GLU 201 CO 0.95 -0.46 0.38 -0.06 0.02 0.00 0.00 175.26 176.10 2hye s PHE 202 N -2.12 3.59 0.00 1.61 0.40 -1.26 -3.17 117.98 117.03 2hye s PHE 202 Ca 0.24 0.77 0.00 0.00 -0.60 0.00 0.00 56.93 57.34 2hye s PHE 202 Cb -0.02 -2.14 0.00 0.00 0.51 0.00 0.00 43.02 41.37 2hye s PHE 202 CO 0.03 0.54 0.00 0.09 0.70 0.00 0.00 175.22 176.58 2hye n ASN 203 N 0.99 0.00 0.00 1.36 3.02 0.10 -4.95 115.26 115.78 2hye n ASN 203 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 2hye n ASN 203 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 2hye n ASN 203 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2hye n LYS 204 N -1.13 0.00 -1.17 3.52 3.00 -1.26 -4.78 118.16 116.34 2hye n LYS 204 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.95 2hye n LYS 204 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.10 2hye n LYS 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hye n GLY 205 N 0.00 -2.10 0.31 3.14 0.00 -1.25 -4.32 105.19 100.97 2hye n GLY 205 Ca 0.00 -0.45 0.20 0.00 0.00 0.00 0.00 46.02 45.76 2hye n GLY 205 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2hye h PRO 206 N -0.55 0.00 0.00 1.61 0.11 -1.91 -3.46 132.00 127.80 2hye h PRO 206 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2hye h PRO 206 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 2hye h PRO 206 CO 0.39 0.02 0.00 -2.67 -0.21 0.00 0.00 178.00 175.53 2hye n TRP 207 N -3.23 -0.42 -3.58 0.65 2.14 -1.26 -5.04 117.44 106.69 2hye n TRP 207 Ca -0.02 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.58 2hye n TRP 207 Cb 0.15 0.00 -0.00 0.00 -0.81 0.00 0.00 31.31 30.65 2hye n TRP 207 CO 0.00 0.00 0.00 0.21 2.07 0.00 0.00 177.69 179.97 2hye s LYS 208 N -0.55 0.16 -0.46 -2.67 2.20 -1.26 -3.80 119.74 113.37 2hye s LYS 208 Ca 0.00 -0.09 0.07 0.00 -0.36 0.00 0.00 55.97 55.59 2hye s LYS 208 Cb 0.00 0.06 0.19 0.00 -1.51 0.00 0.00 37.83 36.56 2hye s LYS 208 CO 0.00 -0.08 0.70 -1.14 -0.36 0.00 0.00 175.35 174.47 2hye s GLN 209 N -2.17 0.90 0.03 4.03 2.00 -1.22 -5.03 119.66 118.19 2hye s GLN 209 Ca 0.15 -0.62 -0.05 0.00 -2.00 0.00 0.00 55.36 52.84 2hye s GLN 209 Cb 0.07 0.03 -0.01 0.00 0.80 0.00 0.00 33.01 33.89 2hye s GLN 209 CO -0.06 -1.20 0.62 -0.85 -0.50 0.00 0.00 175.29 173.31 2hye n GLU 210 N 3.69 -0.07 -3.51 1.67 0.28 -1.26 -3.96 120.64 117.47 2hye n GLU 210 Ca 0.14 0.62 -0.42 0.00 -0.16 0.00 0.00 57.16 57.34 2hye n GLU 210 Cb 0.57 -0.92 -0.10 0.00 1.43 0.00 0.00 31.44 32.41 2hye n GLU 210 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2hye s ASN 211 N -3.71 5.99 0.13 -1.84 0.01 -1.26 -3.87 114.94 110.39 2hye s ASN 211 Ca -0.02 -0.79 0.03 0.00 -0.71 0.00 0.00 52.86 51.36 2hye s ASN 211 Cb 0.02 -2.12 -0.04 0.00 0.41 0.00 0.00 41.25 39.52 2hye s ASN 211 CO 0.10 -0.38 -0.07 0.68 -1.51 0.00 0.00 177.10 175.92 2hye s VAL 212 N 1.66 0.91 0.00 1.60 -7.23 -1.16 -5.06 120.40 111.12 2hye s VAL 212 Ca 0.05 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 2hye s VAL 212 Cb -0.19 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 34.93 2hye s VAL 212 CO 0.09 -0.76 0.00 1.21 -0.31 0.00 0.00 175.10 175.33 2hye n GLU 213 N -0.14 0.00 -0.48 4.82 0.00 -1.26 -4.51 120.64 119.07 2hye n GLU 213 Ca -0.10 0.00 0.40 0.00 0.00 0.00 0.00 57.16 57.45 2hye n GLU 213 Cb 0.61 0.00 0.68 0.00 0.00 0.00 0.00 31.44 32.73 2hye n GLU 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2hye h ALA 214 N 0.00 2.91 -0.70 4.31 0.00 -1.98 -1.49 119.26 122.30 2hye h ALA 214 Ca 0.00 0.10 -0.48 0.00 0.00 0.00 0.00 54.91 54.53 2hye h ALA 214 Cb 0.00 0.21 -0.42 0.00 0.00 0.00 0.00 17.79 17.58 2hye h ALA 214 CO 0.00 -1.55 -0.89 0.39 0.00 0.00 0.00 179.25 177.20 2hye n GLU 215 N -4.62 3.16 -1.74 0.00 -0.58 -1.26 -4.91 120.64 110.70 2hye n GLU 215 Ca 0.39 -4.02 -0.42 0.00 -0.42 0.00 0.00 57.16 52.69 2hye n GLU 215 Cb 1.54 -2.12 -0.03 0.00 -0.57 0.00 0.00 31.44 30.27 2hye n GLU 215 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2hye s ALA 216 N -3.64 3.81 0.00 0.62 0.00 -0.56 -3.17 121.76 118.81 2hye s ALA 216 Ca 0.45 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.89 2hye s ALA 216 Cb 0.39 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2hye s ALA 216 CO 0.01 -1.12 0.00 -1.13 0.00 0.00 0.00 175.76 173.52 2hye n SER 217 N 5.14 4.40 -3.81 0.00 3.41 0.12 -4.95 113.62 117.94 2hye n SER 217 Ca 0.17 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.63 2hye n SER 217 Cb 0.37 0.86 -0.16 0.00 -0.26 0.00 0.00 64.21 65.02 2hye n SER 217 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2hye s MET 218 N -1.77 0.13 -0.63 4.33 -1.94 -1.03 -4.72 119.30 113.67 2hye s MET 218 Ca 0.00 0.10 -0.15 0.00 -1.71 0.00 0.00 55.69 53.93 2hye s MET 218 Cb 0.00 -0.32 0.16 0.00 2.01 0.00 0.00 34.83 36.68 2hye s MET 218 CO 0.00 -0.12 0.57 0.08 -0.01 0.00 0.00 175.02 175.54 2hye s VAL 219 N 0.85 5.23 -0.55 -6.03 1.01 -1.26 -1.84 120.40 117.81 2hye s VAL 219 Ca -0.08 -1.86 -0.20 0.00 0.00 0.00 0.00 61.98 59.84 2hye s VAL 219 Cb -0.11 -4.32 0.07 0.00 0.00 0.00 0.00 36.38 32.02 2hye s VAL 219 CO -0.02 -0.91 0.74 -0.63 0.00 0.00 0.00 175.10 174.28 2hye s ILE 220 N 1.10 4.71 -0.12 2.22 1.01 0.43 -4.73 121.20 125.82 2hye s ILE 220 Ca 0.08 -0.47 -0.29 0.00 0.00 0.00 0.00 60.65 59.97 2hye s ILE 220 Cb -0.23 -4.43 -0.01 0.00 0.01 0.00 0.00 42.46 37.79 2hye s ILE 220 CO -0.01 -1.02 1.00 0.00 0.00 0.00 0.00 174.94 174.91 2hye s ALA 221 N 3.04 3.43 -0.01 9.38 0.00 -1.26 0.16 121.76 136.50 2hye s ALA 221 Ca 0.18 0.35 -0.12 0.00 0.00 0.00 0.00 51.96 52.37 2hye s ALA 221 Cb -0.19 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 2hye s ALA 221 CO 0.11 -0.63 0.35 0.08 0.00 0.00 0.00 175.76 175.67 2hye s VAL 222 N 2.09 5.15 0.94 0.00 1.01 0.59 -4.97 120.40 125.21 2hye s VAL 222 Ca 0.48 0.61 -0.12 0.00 0.00 0.00 0.00 61.98 62.94 2hye s VAL 222 Cb -0.18 -3.63 0.15 0.00 0.00 0.00 0.00 36.38 32.72 2hye s VAL 222 CO 0.17 0.52 1.10 -2.84 0.00 0.00 0.00 175.10 174.05 2hye s PRO 223 N -1.26 0.93 0.00 2.72 0.02 -1.26 -3.95 135.00 132.19 2hye s PRO 223 Ca 0.24 0.55 0.00 0.00 0.02 0.00 0.00 61.00 61.81 2hye s PRO 223 Cb -0.15 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.58 2hye s PRO 223 CO 0.13 -2.40 0.00 0.39 -0.33 0.00 0.00 177.00 174.79 2hye n GLU 224 N -3.95 0.00 -0.23 5.54 -0.58 -1.26 -1.27 120.64 118.89 2hye n GLU 224 Ca 0.06 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.78 2hye n GLU 224 Cb 0.57 0.00 0.04 0.00 -0.57 0.00 0.00 31.44 31.48 2hye n GLU 224 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 2hye h PRO 225 N 0.00 -0.08 0.00 3.49 0.11 -1.94 -3.34 132.00 130.24 2hye h PRO 225 Ca 0.00 0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.85 2hye h PRO 225 Cb 0.00 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.09 2hye h PRO 225 CO 0.00 -0.06 -1.84 1.19 -0.21 0.00 0.00 178.00 177.08 2hye n PHE 226 N -5.46 0.00 0.00 0.65 3.01 -0.91 -4.81 117.46 109.94 2hye n PHE 226 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 2hye n PHE 226 Cb 0.36 -0.68 0.00 0.00 -0.01 0.00 0.00 39.48 39.15 2hye n PHE 226 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2hye n GLY 227 N 1.70 -1.31 0.00 1.37 0.00 -0.40 -4.96 105.19 101.59 2hye n GLY 227 Ca -0.35 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.08 2hye n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hye n GLY 228 N -1.49 -0.03 3.21 -0.02 0.00 -1.25 -4.71 105.19 100.88 2hye n GLY 228 Ca 0.00 -1.76 -0.28 0.00 0.00 0.00 0.00 46.02 43.98 2hye n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hye s ALA 229 N -2.29 1.83 0.05 4.61 0.00 0.47 -0.30 121.76 126.13 2hye s ALA 229 Ca 0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 51.96 51.03 2hye s ALA 229 Cb 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 2hye s ALA 229 CO 0.00 0.37 0.29 0.42 0.00 0.00 0.00 175.76 176.84 2hye s ILE 230 N -0.16 5.27 -0.31 0.00 1.01 0.12 -1.69 121.20 125.44 2hye s ILE 230 Ca -0.01 0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.72 2hye s ILE 230 Cb -0.12 -3.59 0.07 0.00 0.01 0.00 0.00 42.46 38.83 2hye s ILE 230 CO 0.02 0.25 -0.01 -0.63 0.00 0.00 0.00 174.94 174.57 2hye s ILE 231 N -1.42 2.59 0.01 2.92 -1.09 0.24 -0.43 121.20 124.02 2hye s ILE 231 Ca 0.32 -1.73 -0.25 0.00 -2.23 0.00 0.00 60.65 56.76 2hye s ILE 231 Cb -0.13 -2.61 -0.05 0.00 -1.58 0.00 0.00 42.46 38.09 2hye s ILE 231 CO 0.20 -0.24 0.76 -0.63 -1.23 0.00 0.00 174.94 173.81 2hye s ILE 232 N 1.12 4.83 0.00 2.92 1.01 -0.77 -1.93 121.20 128.39 2hye s ILE 232 Ca -0.02 1.61 0.00 0.00 0.00 0.00 0.00 60.65 62.24 2hye s ILE 232 Cb -0.20 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.16 2hye s ILE 232 CO -0.04 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.83 2hye n GLY 233 N 2.63 5.11 0.02 6.18 0.00 -1.06 0.16 105.19 118.22 2hye n GLY 233 Ca -0.01 -1.84 0.11 0.00 0.00 0.00 0.00 46.02 44.28 2hye n GLY 233 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2hye n GLN 234 N 0.00 0.57 0.00 1.61 7.27 -1.19 -4.67 117.38 120.97 2hye n GLN 234 Ca 0.00 -0.13 0.00 0.00 0.07 0.00 0.00 57.00 56.94 2hye n GLN 234 Cb 0.00 -1.56 0.00 0.00 2.41 0.00 0.00 30.24 31.09 2hye n GLN 234 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 2hye n GLU 235 N -2.22 0.00 -3.82 3.69 0.28 -1.26 -4.40 120.64 112.91 2hye n GLU 235 Ca -0.02 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.85 2hye n GLU 235 Cb 0.54 -0.13 -0.12 0.00 1.43 0.00 0.00 31.44 33.16 2hye n GLU 235 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2hye s SER 236 N 0.00 -0.16 0.02 -1.84 0.15 -1.26 -4.44 113.70 106.18 2hye s SER 236 Ca 0.00 0.27 0.04 0.00 0.70 0.00 0.00 55.95 56.96 2hye s SER 236 Cb 0.00 0.35 -0.03 0.00 -1.71 0.00 0.00 66.02 64.63 2hye s SER 236 CO 0.00 -0.13 -0.07 -0.63 1.20 0.00 0.00 173.24 173.61 2hye s ILE 237 N -0.19 3.60 -0.03 6.45 1.09 -0.57 -2.58 121.20 128.97 2hye s ILE 237 Ca -0.03 -0.87 -0.01 0.00 -1.10 0.00 0.00 60.65 58.64 2hye s ILE 237 Cb -0.02 -2.59 0.03 0.00 -1.06 0.00 0.00 42.46 38.82 2hye s ILE 237 CO 0.01 0.34 0.07 0.42 -0.10 0.00 0.00 174.94 175.67 2hye s THR 238 N -1.04 -0.05 -0.12 2.92 -4.23 -0.81 -2.13 115.64 110.17 2hye s THR 238 Ca 0.18 0.18 0.01 0.00 -1.18 0.00 0.00 61.69 60.88 2hye s THR 238 Cb -0.11 -0.13 -0.01 0.00 1.34 0.00 0.00 72.50 73.58 2hye s THR 238 CO 0.09 0.07 -0.15 -0.47 -0.54 0.00 0.00 174.62 173.63 2hye s TYR 239 N 1.00 2.77 0.03 3.99 5.04 -1.25 0.82 117.35 129.75 2hye s TYR 239 Ca -0.08 -0.67 0.08 0.00 -2.44 0.00 0.00 57.07 53.96 2hye s TYR 239 Cb -0.11 -1.81 -0.03 0.00 0.35 0.00 0.00 41.96 40.36 2hye s TYR 239 CO -0.04 -0.22 -0.24 -1.01 -1.34 0.00 0.00 175.55 172.71 2hye s HIS 240 N 0.29 2.09 -0.22 4.97 3.76 -0.68 -3.00 115.29 122.49 2hye s HIS 240 Ca -0.11 -0.39 0.23 0.00 -0.15 0.00 0.00 55.06 54.64 2hye s HIS 240 Cb -0.16 -1.27 0.49 0.00 1.11 0.00 0.00 32.58 32.75 2hye s HIS 240 CO 0.06 0.08 1.13 -1.71 -0.85 0.00 0.00 174.74 173.45 2hye n ASN 241 N 1.96 1.41 0.00 1.40 4.05 -1.19 -0.40 115.26 122.49 2hye n ASN 241 Ca -0.17 -2.02 0.00 0.00 0.45 0.00 0.00 54.58 52.84 2hye n ASN 241 Cb 0.52 -0.42 0.00 0.00 1.23 0.00 0.00 39.78 41.11 2hye n ASN 241 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2hye n GLY 242 N -0.44 2.01 2.23 8.20 0.00 -1.26 -4.36 105.19 111.56 2hye n GLY 242 Ca 0.06 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 2hye n GLY 242 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hye n ASP 243 N 3.95 4.45 -3.86 1.61 9.92 -1.26 -4.87 116.55 126.49 2hye n ASP 243 Ca 0.00 -3.55 -0.14 0.00 -0.53 0.00 0.00 54.79 50.57 2hye n ASP 243 Cb 0.00 -0.39 -0.15 0.00 -0.64 0.00 0.00 41.12 39.94 2hye n ASP 243 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2hye s LYS 244 N -3.59 0.11 -0.24 -1.24 2.47 -1.26 -5.14 119.74 110.86 2hye s LYS 244 Ca 0.47 0.02 -0.03 0.00 -1.56 0.00 0.00 55.97 54.87 2hye s LYS 244 Cb 0.40 -0.20 0.13 0.00 -1.46 0.00 0.00 37.83 36.70 2hye s LYS 244 CO -0.02 -0.04 0.37 -0.47 0.16 0.00 0.00 175.35 175.35 2hye s TYR 245 N 0.36 -0.79 0.33 4.03 6.04 -1.25 -3.16 117.35 122.92 2hye s TYR 245 Ca -0.03 0.87 0.00 0.00 0.04 0.00 0.00 57.07 57.95 2hye s TYR 245 Cb -0.05 0.03 -0.00 0.00 -1.04 0.00 0.00 41.96 40.89 2hye s TYR 245 CO -0.01 -0.69 0.01 1.28 -1.54 0.00 0.00 175.55 174.61 2hye n LEU 246 N 5.36 0.00 -3.65 6.97 4.77 -1.16 -5.00 117.00 124.29 2hye n LEU 246 Ca -0.04 -2.13 -0.03 0.00 -0.03 0.00 0.00 56.01 53.78 2hye n LEU 246 Cb 0.50 0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 41.82 2hye n LEU 246 CO 0.06 -0.31 1.14 0.00 -1.33 0.00 0.00 177.39 176.95 2hye s ALA 247 N -2.61 -2.26 -0.03 -1.18 0.00 -1.26 -3.84 121.76 110.59 2hye s ALA 247 Ca 0.02 1.71 -0.11 0.00 0.00 0.00 0.00 51.96 53.58 2hye s ALA 247 Cb 0.00 -1.79 0.02 0.00 0.00 0.00 0.00 23.12 21.35 2hye s ALA 247 CO 0.01 -0.12 0.23 0.96 0.00 0.00 0.00 175.76 176.85 2hye s ILE 248 N 0.12 0.05 -0.47 0.00 -4.36 -0.91 -4.99 121.20 110.65 2hye s ILE 248 Ca 0.06 -0.44 0.08 0.00 -0.26 0.00 0.00 60.65 60.09 2hye s ILE 248 Cb -0.05 -0.49 0.28 0.00 1.25 0.00 0.00 42.46 43.45 2hye s ILE 248 CO -0.15 -0.24 0.66 0.00 0.24 0.00 0.00 174.94 175.44 2hye n ALA 249 N 1.73 3.02 -1.78 2.27 0.00 -1.26 -1.52 120.51 122.97 2hye n ALA 249 Ca -0.20 -3.89 -0.42 0.00 0.00 0.00 0.00 53.44 48.93 2hye n ALA 249 Cb 0.56 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 2hye n ALA 249 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2hye s PRO 250 N -1.96 4.16 0.15 0.00 0.02 -1.26 -4.82 135.00 131.29 2hye s PRO 250 Ca 0.39 2.50 0.07 0.00 0.02 0.00 0.00 61.00 63.97 2hye s PRO 250 Cb 0.21 -3.84 0.39 0.00 0.02 0.00 0.00 34.50 31.28 2hye s PRO 250 CO -0.08 -0.86 1.10 -2.30 -0.33 0.00 0.00 177.00 174.53 2hye n PRO 251 N 6.47 0.05 0.11 5.54 -0.02 -1.26 -1.44 135.00 144.46 2hye n PRO 251 Ca 0.18 0.46 0.04 0.00 -2.02 0.00 0.00 63.50 62.16 2hye n PRO 251 Cb 0.40 -1.84 0.44 0.00 -0.02 0.00 0.00 33.50 32.49 2hye n PRO 251 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2hye h ILE 252 N 0.00 1.13 -0.01 4.25 2.04 -1.95 -2.65 117.51 120.31 2hye h ILE 252 Ca 0.00 -0.49 -0.24 0.00 1.00 0.00 0.00 64.86 65.13 2hye h ILE 252 Cb 0.37 0.99 0.02 0.00 -0.74 0.00 0.00 36.82 37.46 2hye h ILE 252 CO 0.00 0.16 -0.92 0.40 0.00 0.00 0.00 178.15 177.80 2hye h ILE 253 N 0.27 1.31 -0.51 -0.67 1.08 -1.58 -3.35 117.51 114.06 2hye h ILE 253 Ca 0.06 -2.18 0.08 0.00 -0.39 0.00 0.00 64.86 62.44 2hye h ILE 253 Cb 0.20 2.40 -0.09 0.00 -3.07 0.00 0.00 36.82 36.26 2hye h ILE 253 CO 0.00 0.67 -0.19 1.17 -0.69 0.00 0.00 178.15 179.12 2hye n LYS 254 N -3.95 -0.11 -0.30 2.37 0.00 -1.00 -1.45 118.16 113.73 2hye n LYS 254 Ca -0.11 0.79 -0.08 0.00 0.00 0.00 0.00 58.31 58.91 2hye n LYS 254 Cb 0.82 -1.17 -0.07 0.00 0.00 0.00 0.00 35.03 34.61 2hye n LYS 254 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2hye n GLN 255 N -4.77 -0.31 -2.87 1.64 1.13 -1.26 -4.85 117.38 106.09 2hye n GLN 255 Ca 0.06 1.36 -0.08 0.00 -1.94 0.00 0.00 57.00 56.39 2hye n GLN 255 Cb 0.21 -2.00 -0.03 0.00 0.11 0.00 0.00 30.24 28.53 2hye n GLN 255 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2hye n SER 256 N -4.59 -0.03 -4.87 1.08 2.88 -0.53 -5.12 113.62 102.44 2hye n SER 256 Ca 0.01 -1.84 -0.33 0.00 -1.33 0.00 0.00 58.87 55.38 2hye n SER 256 Cb 0.18 0.60 -0.05 0.00 -0.75 0.00 0.00 64.21 64.19 2hye n SER 256 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2hye s THR 257 N -2.45 5.03 0.02 2.46 2.01 -1.26 -4.87 115.64 116.57 2hye s THR 257 Ca 0.14 0.41 -0.16 0.00 0.31 0.00 0.00 61.69 62.39 2hye s THR 257 Cb 0.01 -3.64 -0.06 0.00 0.01 0.00 0.00 72.50 68.81 2hye s THR 257 CO 0.10 0.11 0.46 -0.63 -0.69 0.00 0.00 174.62 173.97 2hye s ILE 258 N -1.60 4.95 0.00 1.82 -1.09 -1.26 0.15 121.20 124.17 2hye s ILE 258 Ca 0.40 0.97 0.00 0.00 -2.23 0.00 0.00 60.65 59.79 2hye s ILE 258 Cb -0.13 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 2hye s ILE 258 CO 0.21 0.55 0.23 1.33 -1.23 0.00 0.00 174.94 176.04 2hye n VAL 259 N 1.91 0.00 -3.66 2.92 0.24 0.22 -4.87 118.33 115.09 2hye n VAL 259 Ca -0.12 -0.23 -0.08 0.00 -2.04 0.00 0.00 64.34 61.86 2hye n VAL 259 Cb 0.52 1.53 -0.02 0.00 -1.47 0.00 0.00 33.84 34.40 2hye n VAL 259 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hye s HIS 261 N -3.68 0.19 -0.29 0.00 -0.00 -1.26 -1.30 115.29 108.96 2hye s HIS 261 Ca 0.07 -0.56 -0.16 0.00 -0.00 0.00 0.00 55.06 54.41 2hye s HIS 261 Cb -0.03 0.29 0.14 0.00 -0.00 0.00 0.00 32.58 32.99 2hye s HIS 261 CO -0.02 -1.00 0.95 1.21 -0.00 0.00 0.00 174.74 175.87 2hye s ASN 262 N -2.97 -0.58 0.11 7.38 2.47 -0.60 -4.63 114.94 116.12 2hye s ASN 262 Ca 0.18 0.88 -0.30 0.00 0.42 0.00 0.00 52.86 54.04 2hye s ASN 262 Cb -0.01 1.36 -0.06 0.00 -1.45 0.00 0.00 41.25 41.09 2hye s ASN 262 CO 0.06 -0.13 1.11 -0.60 -3.72 0.00 0.00 177.10 173.82 2hye s ARG 263 N 1.67 4.54 0.02 0.43 3.52 -1.26 -0.28 118.95 127.59 2hye s ARG 263 Ca -0.08 1.69 0.18 0.00 -0.13 0.00 0.00 55.73 57.39 2hye s ARG 263 Cb -0.05 -3.33 -0.17 0.00 -1.56 0.00 0.00 34.95 29.85 2hye s ARG 263 CO -0.16 -0.05 0.67 0.28 -0.81 0.00 0.00 175.30 175.24 2hye n VAL 264 N 3.09 1.04 -4.50 7.11 0.31 -0.51 -4.78 118.33 120.10 2hye n VAL 264 Ca 0.05 -0.69 -0.34 0.00 -0.01 0.00 0.00 64.34 63.36 2hye n VAL 264 Cb 0.47 -0.59 -0.10 0.00 -0.91 0.00 0.00 33.84 32.71 2hye n VAL 264 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2hye s ASP 265 N -5.55 4.89 0.00 4.52 1.01 -1.18 -4.96 116.67 115.39 2hye s ASP 265 Ca -0.05 0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.24 2hye s ASP 265 Cb 0.09 -1.28 0.00 0.00 1.01 0.00 0.00 42.92 42.74 2hye s ASP 265 CO 0.83 0.36 0.37 -2.65 0.21 0.00 0.00 175.17 174.28 2hye n PRO 266 N 2.07 0.00 -3.69 8.23 -0.02 -1.26 -4.31 135.00 136.03 2hye n PRO 266 Ca -0.18 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.18 2hye n PRO 266 Cb 0.53 -1.46 -0.09 0.00 -0.02 0.00 0.00 33.50 32.46 2hye n PRO 266 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2hye s ASN 267 N -1.78 -0.59 -0.52 2.55 4.22 -1.26 -4.91 114.94 112.65 2hye s ASN 267 Ca 0.00 1.08 -0.43 0.00 -2.14 0.00 0.00 52.86 51.37 2hye s ASN 267 Cb 0.00 1.04 -0.19 0.00 1.28 0.00 0.00 41.25 43.38 2hye s ASN 267 CO 0.00 -0.19 2.18 0.61 -2.04 0.00 0.00 177.10 177.66 2hye n GLY 268 N 3.35 -0.13 0.38 0.45 0.00 -1.26 -4.30 105.19 103.68 2hye n GLY 268 Ca -0.17 1.11 0.00 0.00 0.00 0.00 0.00 46.02 46.96 2hye n GLY 268 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hye n SER 269 N 7.84 0.00 -4.53 1.61 7.64 -1.26 -4.81 113.62 120.11 2hye n SER 269 Ca 0.55 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 60.12 2hye n SER 269 Cb -0.02 0.04 -0.11 0.00 -1.01 0.00 0.00 64.21 63.11 2hye n SER 269 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2hye s ARG 270 N -0.19 2.28 0.30 1.43 0.52 -1.26 -2.09 118.95 119.94 2hye s ARG 270 Ca 0.00 -0.88 0.02 0.00 -0.52 0.00 0.00 55.73 54.36 2hye s ARG 270 Cb 0.00 -2.34 -0.05 0.00 0.52 0.00 0.00 34.95 33.09 2hye s ARG 270 CO 0.00 0.56 0.10 0.71 0.02 0.00 0.00 175.30 176.70 2hye s TYR 271 N -0.99 1.67 -0.05 -0.53 1.51 -0.29 -1.42 117.35 117.25 2hye s TYR 271 Ca 0.17 -1.18 0.02 0.00 -1.01 0.00 0.00 57.07 55.07 2hye s TYR 271 Cb -0.11 -1.01 0.01 0.00 -0.11 0.00 0.00 41.96 40.75 2hye s TYR 271 CO 0.07 -0.29 -0.10 -0.51 -1.11 0.00 0.00 175.55 173.62 2hye s LEU 272 N -3.40 1.62 0.03 -1.29 1.43 0.62 -2.73 118.68 114.96 2hye s LEU 272 Ca 0.36 -0.23 0.09 0.00 -1.03 0.00 0.00 54.13 53.31 2hye s LEU 272 Cb 0.07 -0.67 -0.03 0.00 0.03 0.00 0.00 46.19 45.59 2hye s LEU 272 CO 0.15 0.03 -0.26 -0.76 0.23 0.00 0.00 176.35 175.73 2hye s LEU 273 N 0.57 2.13 -0.17 1.79 1.43 -0.41 -1.56 118.68 122.46 2hye s LEU 273 Ca -0.11 -0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 52.38 2hye s LEU 273 Cb -0.14 -1.30 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 2hye s LEU 273 CO 0.02 0.28 0.04 -0.83 0.23 0.00 0.00 176.35 176.09 2hye s GLY 274 N -1.05 1.87 0.25 -3.19 0.00 -0.42 -1.75 107.32 103.03 2hye s GLY 274 Ca 0.11 -0.76 -0.14 0.00 0.00 0.00 0.00 44.72 43.93 2hye s GLY 274 CO 0.01 0.01 0.65 -0.35 0.00 0.00 0.00 173.10 173.42 2hye s ASP 275 N 0.33 6.79 0.00 1.64 2.15 -0.96 0.71 116.67 127.32 2hye s ASP 275 Ca 0.02 1.17 0.11 0.00 0.43 0.00 0.00 52.55 54.27 2hye s ASP 275 Cb -0.13 -2.32 0.66 0.00 -0.30 0.00 0.00 42.92 40.83 2hye s ASP 275 CO 0.01 -0.08 1.23 0.80 -0.17 0.00 0.00 175.17 176.96 2hye n MET 276 N 0.07 0.75 -0.51 4.34 0.00 0.39 -3.23 117.12 118.92 2hye n MET 276 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 2hye n MET 276 Cb 0.52 -1.23 0.00 0.00 0.00 0.00 0.00 33.22 32.51 2hye n MET 276 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 2hye n GLU 277 N -0.73 0.00 0.00 2.12 2.13 -1.26 -4.93 120.64 117.96 2hye n GLU 277 Ca 0.08 -0.96 0.00 0.00 0.66 0.00 0.00 57.16 56.95 2hye n GLU 277 Cb 0.04 -0.46 0.00 0.00 0.27 0.00 0.00 31.44 31.28 2hye n GLU 277 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hye n GLY 278 N 0.01 3.30 2.61 8.31 0.00 -1.20 -4.98 105.19 113.24 2hye n GLY 278 Ca 0.00 -0.92 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 2hye n GLY 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hye n ARG 279 N 0.00 0.00 -3.83 1.61 1.74 -1.26 -2.47 116.66 112.45 2hye n ARG 279 Ca 0.00 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 2hye n ARG 279 Cb 0.00 -0.84 -0.17 0.00 -1.02 0.00 0.00 32.46 30.43 2hye n ARG 279 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2hye s LEU 280 N 5.49 0.72 0.25 0.55 2.96 -0.43 -2.27 118.68 125.95 2hye s LEU 280 Ca 0.40 -0.07 0.10 0.00 -0.22 0.00 0.00 54.13 54.33 2hye s LEU 280 Cb -0.28 -0.40 -0.04 0.00 0.50 0.00 0.00 46.19 45.97 2hye s LEU 280 CO 0.63 -0.17 -0.03 -0.36 -1.32 0.00 0.00 176.35 175.10 2hye s PHE 281 N 1.74 2.66 -0.20 5.38 0.40 -0.72 -1.12 117.98 126.12 2hye s PHE 281 Ca 0.01 -0.23 -0.02 0.00 -0.60 0.00 0.00 56.93 56.10 2hye s PHE 281 Cb -0.13 -1.20 0.06 0.00 0.51 0.00 0.00 43.02 42.27 2hye s PHE 281 CO -0.04 0.61 0.00 1.41 0.70 0.00 0.00 175.22 177.91 2hye s MET 282 N -3.54 1.00 -0.25 0.44 -2.45 -1.02 -1.28 119.30 112.20 2hye s MET 282 Ca 0.30 -0.60 -0.09 0.00 -1.25 0.00 0.00 55.69 54.06 2hye s MET 282 Cb -0.07 -2.24 -0.04 0.00 1.25 0.00 0.00 34.83 33.73 2hye s MET 282 CO 0.19 -0.61 0.11 -1.17 1.05 0.00 0.00 175.02 174.59 2hye s LEU 283 N 1.70 3.75 -0.00 4.11 0.20 -1.11 -2.47 118.68 124.86 2hye s LEU 283 Ca -0.02 -0.07 0.06 0.00 0.69 0.00 0.00 54.13 54.79 2hye s LEU 283 Cb -0.17 -2.01 -0.03 0.00 -0.43 0.00 0.00 46.19 43.55 2hye s LEU 283 CO -0.07 0.01 -0.19 -0.76 -0.29 0.00 0.00 176.35 175.04 2hye s LEU 284 N 1.39 2.49 -0.67 -0.68 1.02 -1.06 -1.14 118.68 120.02 2hye s LEU 284 Ca 0.06 -0.37 0.03 0.00 0.02 0.00 0.00 54.13 53.88 2hye s LEU 284 Cb -0.15 -1.47 0.16 0.00 0.02 0.00 0.00 46.19 44.75 2hye s LEU 284 CO 0.05 0.30 0.46 -1.48 0.02 0.00 0.00 176.35 175.71 2hye s LEU 285 N -0.98 4.81 -0.44 1.79 0.05 -0.89 -1.93 118.68 121.08 2hye s LEU 285 Ca 0.12 -3.56 -0.36 0.00 0.05 0.00 0.00 54.13 50.38 2hye s LEU 285 Cb -0.10 -1.68 -0.13 0.00 -2.05 0.00 0.00 46.19 42.22 2hye s LEU 285 CO 0.02 -0.15 2.23 -0.62 -0.55 0.00 0.00 176.35 177.28 2hye n GLU 286 N 2.40 0.77 -0.28 1.48 -0.58 -0.77 -4.77 120.64 118.90 2hye n GLU 286 Ca 0.15 0.19 -0.28 0.00 -0.42 0.00 0.00 57.16 56.80 2hye n GLU 286 Cb 0.35 -2.25 0.27 0.00 -0.57 0.00 0.00 31.44 29.24 2hye n GLU 286 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2hye n LYS 287 N 8.13 -4.46 -3.15 3.49 2.85 -1.26 -2.12 118.16 121.64 2hye n LYS 287 Ca 0.46 -1.33 0.05 0.00 -1.05 0.00 0.00 58.31 56.44 2hye n LYS 287 Cb 0.18 -1.84 -0.01 0.00 -0.65 0.00 0.00 35.03 32.71 2hye n LYS 287 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2hye s GLU 288 N -4.79 0.36 0.25 -1.58 2.12 -0.64 -4.26 118.70 110.16 2hye s GLU 288 Ca 0.61 0.52 -0.30 0.00 0.36 0.00 0.00 54.97 56.16 2hye s GLU 288 Cb -0.11 0.27 -0.09 0.00 0.26 0.00 0.00 34.13 34.46 2hye s GLU 288 CO 0.52 -0.51 1.13 -2.00 -0.54 0.00 0.00 175.26 173.85 2hye s GLU 289 N 2.90 4.59 0.00 4.30 2.56 -1.26 -1.58 118.70 130.21 2hye s GLU 289 Ca 0.13 1.83 0.00 0.00 0.00 0.00 0.00 54.97 56.93 2hye s GLU 289 Cb -0.10 -3.21 0.00 0.00 2.00 0.00 0.00 34.13 32.83 2hye s GLU 289 CO -0.19 0.11 0.00 1.04 -0.56 0.00 0.00 175.26 175.65 2hye n GLN 290 N 1.61 0.00 0.00 4.30 6.02 -1.03 -4.93 117.38 123.34 2hye n GLN 290 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2hye n GLN 290 Cb 0.45 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.71 2hye n GLN 290 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2hye n MET 291 N 0.00 0.60 0.00 -1.09 2.81 -1.26 -4.99 117.12 113.19 2hye n MET 291 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2hye n MET 291 Cb 0.00 -0.05 0.00 0.00 -0.71 0.00 0.00 33.22 32.46 2hye n MET 291 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2hye n ASP 292 N 0.00 0.00 0.00 7.83 -0.08 -1.26 -5.07 116.55 117.97 2hye n ASP 292 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 2hye n ASP 292 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2hye n ASP 292 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2hye n GLY 293 N 0.00 0.40 0.00 0.27 0.00 -1.26 -5.09 105.19 99.51 2hye n GLY 293 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hye n GLY 293 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hye n THR 294 N -0.67 0.00 -3.86 2.61 -2.24 -1.26 -5.06 114.28 103.81 2hye n THR 294 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 2hye n THR 294 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 2hye n THR 294 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2hye s VAL 295 N -2.13 5.18 -0.06 2.28 -7.23 -1.26 -2.47 120.40 114.70 2hye s VAL 295 Ca 0.00 0.11 0.02 0.00 -1.81 0.00 0.00 61.98 60.30 2hye s VAL 295 Cb 0.00 -3.34 0.01 0.00 0.56 0.00 0.00 36.38 33.61 2hye s VAL 295 CO 0.00 0.47 -0.12 0.28 -0.31 0.00 0.00 175.10 175.42 2hye s THR 296 N 0.17 1.10 0.12 5.32 -1.32 -0.61 -4.91 115.64 115.51 2hye s THR 296 Ca 0.07 -0.46 -0.31 0.00 -1.21 0.00 0.00 61.69 59.78 2hye s THR 296 Cb -0.12 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.80 2hye s THR 296 CO -0.01 0.34 1.31 -0.22 -2.21 0.00 0.00 174.62 173.84 2hye s LEU 297 N 0.64 4.38 0.00 9.08 0.20 -1.26 -1.61 118.68 130.10 2hye s LEU 297 Ca -0.14 2.25 0.00 0.00 0.69 0.00 0.00 54.13 56.93 2hye s LEU 297 Cb -0.15 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.02 2hye s LEU 297 CO 0.03 -0.56 0.00 1.17 -0.29 0.00 0.00 176.35 176.70 2hye n LYS 298 N 3.59 0.00 -4.60 1.98 0.00 -0.90 -4.87 118.16 113.36 2hye n LYS 298 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 58.31 58.08 2hye n LYS 298 Cb 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.35 2hye n LYS 298 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2hye s ASP 299 N -1.00 4.38 0.13 3.14 -1.08 -1.23 -4.98 116.67 116.03 2hye s ASP 299 Ca 0.00 -0.18 0.08 0.00 -0.52 0.00 0.00 52.55 51.93 2hye s ASP 299 Cb 0.00 -0.98 -0.04 0.00 -1.46 0.00 0.00 42.92 40.44 2hye s ASP 299 CO 0.00 0.30 -0.13 -1.48 0.52 0.00 0.00 175.17 174.39 2hye s LEU 300 N -1.19 2.90 0.04 -1.34 2.34 -1.26 -1.85 118.68 118.32 2hye s LEU 300 Ca 0.15 -0.49 -0.25 0.00 0.06 0.00 0.00 54.13 53.59 2hye s LEU 300 Cb -0.11 -1.69 0.06 0.00 -0.56 0.00 0.00 46.19 43.89 2hye s LEU 300 CO 0.05 0.16 0.59 0.00 -1.06 0.00 0.00 176.35 176.09 2hye s ARG 301 N -2.33 1.09 -0.17 1.48 1.70 -0.81 -4.94 118.95 114.97 2hye s ARG 301 Ca 0.21 -0.11 -0.03 0.00 -0.47 0.00 0.00 55.73 55.32 2hye s ARG 301 Cb -0.10 0.50 -0.02 0.00 -0.57 0.00 0.00 34.95 34.76 2hye s ARG 301 CO 0.13 -0.40 -0.05 0.08 -1.08 0.00 0.00 175.30 173.98 2hye s VAL 302 N -2.27 3.66 -0.10 4.99 1.01 -1.26 -2.58 120.40 123.85 2hye s VAL 302 Ca -0.06 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2hye s VAL 302 Cb -0.01 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.78 2hye s VAL 302 CO 0.00 0.47 -0.10 -1.61 0.00 0.00 0.00 175.10 173.87 2hye s GLU 303 N 0.67 1.63 0.27 2.72 2.02 -1.03 -4.99 118.70 119.99 2hye s GLU 303 Ca -0.03 -0.32 -0.30 0.00 0.02 0.00 0.00 54.97 54.33 2hye s GLU 303 Cb -0.15 -1.56 -0.11 0.00 0.10 0.00 0.00 34.13 32.41 2hye s GLU 303 CO 0.02 -0.17 1.61 -1.17 0.02 0.00 0.00 175.26 175.57 2hye s LEU 304 N 1.35 4.35 -0.22 1.80 2.96 -1.26 -2.44 118.68 125.21 2hye s LEU 304 Ca -0.01 2.91 -0.16 0.00 -0.22 0.00 0.00 54.13 56.65 2hye s LEU 304 Cb -0.14 -3.63 -0.18 0.00 0.50 0.00 0.00 46.19 42.75 2hye s LEU 304 CO -0.05 -0.91 0.03 0.18 -1.32 0.00 0.00 176.35 174.28 2hye n LEU 305 N 2.59 2.05 0.00 -0.68 4.77 -0.28 -4.86 117.00 120.59 2hye n LEU 305 Ca 0.10 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2hye n LEU 305 Cb 0.37 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 2hye n LEU 305 CO 0.63 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 2hye n GLY 306 N 1.50 -0.55 3.17 -0.72 0.00 -1.15 -0.79 105.19 106.64 2hye n GLY 306 Ca -0.40 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 2hye n GLY 306 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hye s GLU 307 N -1.34 1.79 0.00 1.61 2.56 -1.26 -1.32 118.70 120.73 2hye s GLU 307 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.97 54.30 2hye s GLU 307 Cb 0.00 -1.60 0.00 0.00 2.00 0.00 0.00 34.13 34.53 2hye s GLU 307 CO 0.00 0.31 0.00 0.25 -0.56 0.00 0.00 175.26 175.26 2hye n THR 308 N 2.94 0.00 -2.92 -1.70 -2.24 -1.03 -4.87 114.28 104.46 2hye n THR 308 Ca -0.17 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.41 2hye n THR 308 Cb 0.53 0.00 0.06 0.00 -2.10 0.00 0.00 70.33 68.82 2hye n THR 308 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2hye s SER 309 N 1.00 5.10 -1.03 3.42 0.15 -1.26 -4.88 113.70 116.19 2hye s SER 309 Ca 0.00 -0.61 -0.23 0.00 0.70 0.00 0.00 55.95 55.81 2hye s SER 309 Cb 0.00 -0.05 -0.00 0.00 -1.71 0.00 0.00 66.02 64.26 2hye s SER 309 CO 0.00 -1.29 1.75 -0.63 1.20 0.00 0.00 173.24 174.26 2hye s ILE 310 N -2.69 3.71 -0.45 6.45 1.01 -1.26 -4.58 121.20 123.40 2hye s ILE 310 Ca 0.61 -0.78 -0.28 0.00 0.00 0.00 0.00 60.65 60.19 2hye s ILE 310 Cb -0.07 -4.61 -0.08 0.00 0.01 0.00 0.00 42.46 37.71 2hye s ILE 310 CO 0.39 -1.44 2.37 0.00 0.00 0.00 0.00 174.94 176.25 2hye n ALA 311 N 11.55 1.04 -0.01 9.38 0.00 -1.26 -4.02 120.51 137.19 2hye n ALA 311 Ca 0.39 -0.59 -0.00 0.00 0.00 0.00 0.00 53.44 53.24 2hye n ALA 311 Cb 0.48 -2.97 -0.00 0.00 0.00 0.00 0.00 19.45 16.96 2hye n ALA 311 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2hye h GLU 312 N 16.83 0.00 -6.60 0.00 4.39 -0.99 -3.44 114.58 124.78 2hye h GLU 312 Ca -0.27 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 58.93 2hye h GLU 312 Cb 1.27 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.93 2hye h GLU 312 CO 1.11 0.00 -0.10 0.00 -1.16 0.00 0.00 179.01 178.86 2hye s LEU 314 N -4.03 0.02 -0.18 0.00 2.96 -1.26 -2.31 118.68 113.88 2hye s LEU 314 Ca 0.44 0.65 -0.09 0.00 -0.22 0.00 0.00 54.13 54.91 2hye s LEU 314 Cb -0.10 0.88 0.07 0.00 0.50 0.00 0.00 46.19 47.54 2hye s LEU 314 CO 0.35 -0.20 0.42 0.28 -1.32 0.00 0.00 176.35 175.88 2hye s THR 315 N 1.75 -0.25 0.35 3.68 -1.32 -0.75 -4.46 115.64 114.62 2hye s THR 315 Ca -0.06 0.12 -0.21 0.00 -1.21 0.00 0.00 61.69 60.33 2hye s THR 315 Cb -0.11 -0.64 -0.10 0.00 -1.51 0.00 0.00 72.50 70.14 2hye s THR 315 CO -0.10 0.05 0.87 -0.47 -2.21 0.00 0.00 174.62 172.76 2hye s TYR 316 N 1.86 3.48 0.00 9.09 5.04 -1.26 -0.09 117.35 135.47 2hye s TYR 316 Ca -0.07 1.55 0.00 0.00 -2.44 0.00 0.00 57.07 56.11 2hye s TYR 316 Cb -0.10 -2.77 0.00 0.00 0.35 0.00 0.00 41.96 39.44 2hye s TYR 316 CO -0.13 0.09 0.00 1.28 -1.34 0.00 0.00 175.55 175.45 2hye n LEU 317 N -0.03 0.00 -3.86 6.97 4.77 -0.65 -4.91 117.00 119.29 2hye n LEU 317 Ca 0.03 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 2hye n LEU 317 Cb 0.52 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 2hye n LEU 317 CO 0.41 0.00 -0.13 -1.81 -1.33 0.00 0.00 177.39 174.53 2hye s ASP 318 N 0.94 0.04 -1.89 -1.43 -0.00 -1.25 -4.88 116.67 108.19 2hye s ASP 318 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 52.55 52.23 2hye s ASP 318 Cb 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 42.92 43.18 2hye s ASP 318 CO 0.00 -0.49 0.00 0.59 -0.00 0.00 0.00 175.17 175.27 2hye n ASN 319 N 0.94 -5.57 -0.67 0.27 3.02 -1.26 -1.36 115.26 110.63 2hye n ASN 319 Ca -0.20 0.44 -0.02 0.00 -0.03 0.00 0.00 54.58 54.77 2hye n ASN 319 Cb 0.58 -4.64 0.01 0.00 -0.61 0.00 0.00 39.78 35.11 2hye n ASN 319 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hye n GLY 320 N -0.22 0.69 3.17 7.41 0.00 -1.26 -4.71 105.19 110.26 2hye n GLY 320 Ca -0.18 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.84 2hye n GLY 320 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hye s VAL 321 N -2.82 3.43 0.01 1.61 1.01 -0.46 0.60 120.40 123.78 2hye s VAL 321 Ca 0.04 -1.74 -0.15 0.00 0.00 0.00 0.00 61.98 60.13 2hye s VAL 321 Cb -0.02 -3.20 -0.06 0.00 0.00 0.00 0.00 36.38 33.10 2hye s VAL 321 CO 0.06 -0.51 0.43 -0.69 0.00 0.00 0.00 175.10 174.39 2hye s VAL 322 N 1.23 4.99 -0.16 2.92 1.01 -0.57 -1.63 120.40 128.19 2hye s VAL 322 Ca 0.04 0.88 -0.10 0.00 0.00 0.00 0.00 61.98 62.80 2hye s VAL 322 Cb -0.22 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 2hye s VAL 322 CO -0.02 0.57 0.17 0.12 0.00 0.00 0.00 175.10 175.94 2hye s PHE 323 N -1.09 3.48 -0.28 5.22 5.36 0.88 0.36 117.98 131.91 2hye s PHE 323 Ca 0.25 0.46 0.03 0.00 -0.96 0.00 0.00 56.93 56.71 2hye s PHE 323 Cb -0.17 -2.14 0.07 0.00 -0.34 0.00 0.00 43.02 40.44 2hye s PHE 323 CO 0.14 0.42 -0.06 0.08 -1.46 0.00 0.00 175.22 174.34 2hye s VAL 324 N -0.06 2.10 -0.54 3.12 1.01 0.18 -1.81 120.40 124.40 2hye s VAL 324 Ca 0.12 -1.78 -0.24 0.00 0.00 0.00 0.00 61.98 60.07 2hye s VAL 324 Cb -0.12 -2.33 0.04 0.00 0.00 0.00 0.00 36.38 33.97 2hye s VAL 324 CO 0.01 -0.21 0.96 -0.83 0.00 0.00 0.00 175.10 175.03 2hye s GLY 325 N 1.09 1.40 0.31 4.51 0.00 -0.98 0.08 107.32 113.74 2hye s GLY 325 Ca -0.03 -1.17 -0.07 0.00 0.00 0.00 0.00 44.72 43.45 2hye s GLY 325 CO -0.06 2.08 0.62 -0.45 0.00 0.00 0.00 173.10 175.28 2hye s SER 326 N 2.79 6.49 -0.01 1.64 0.15 -1.26 -0.30 113.70 123.20 2hye s SER 326 Ca 0.32 0.86 0.04 0.00 0.70 0.00 0.00 55.95 57.87 2hye s SER 326 Cb -0.12 -2.21 -0.07 0.00 -1.71 0.00 0.00 66.02 61.92 2hye s SER 326 CO 0.20 -0.24 0.09 -1.14 1.20 0.00 0.00 173.24 173.36 2hye n ARG 327 N -0.93 0.39 -0.48 5.44 0.63 -1.26 -2.67 116.66 117.79 2hye n ARG 327 Ca -0.00 -0.04 0.06 0.00 -0.92 0.00 0.00 57.85 56.95 2hye n ARG 327 Cb 0.54 -1.11 0.10 0.00 0.45 0.00 0.00 32.46 32.44 2hye n ARG 327 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2hye n LEU 328 N -1.70 1.61 -3.83 6.15 -0.00 -1.26 -4.27 117.00 113.71 2hye n LEU 328 Ca -0.01 -2.54 -0.07 0.00 -0.00 0.00 0.00 56.01 53.38 2hye n LEU 328 Cb 0.16 -0.28 0.03 0.00 -0.00 0.00 0.00 43.42 43.33 2hye n LEU 328 CO 0.09 0.69 0.62 -0.83 -0.00 0.00 0.00 177.39 177.96 2hye s GLY 329 N -2.32 0.35 0.18 1.47 0.00 -1.26 -2.97 107.32 102.77 2hye s GLY 329 Ca 0.25 -0.69 -0.30 0.00 0.00 0.00 0.00 44.72 43.97 2hye s GLY 329 CO -0.02 0.50 1.15 0.99 0.00 0.00 0.00 173.10 175.72 2hye s ASP 330 N -3.19 7.17 0.95 1.64 1.11 -1.26 -4.48 116.67 118.61 2hye s ASP 330 Ca 0.18 2.16 -0.14 0.00 0.18 0.00 0.00 52.55 54.93 2hye s ASP 330 Cb -0.04 -2.61 0.16 0.00 1.07 0.00 0.00 42.92 41.50 2hye s ASP 330 CO 0.10 -0.30 1.18 -0.44 1.18 0.00 0.00 175.17 176.90 2hye s SER 331 N 0.00 3.22 0.07 0.27 0.01 -1.21 -4.48 113.70 111.58 2hye s SER 331 Ca 0.51 0.75 -0.27 0.00 1.31 0.00 0.00 55.95 58.24 2hye s SER 331 Cb -0.31 -1.15 0.09 0.00 0.21 0.00 0.00 66.02 64.85 2hye s SER 331 CO 0.36 -2.71 0.95 0.00 0.41 0.00 0.00 173.24 172.25 2hye s GLN 332 N -5.47 0.97 -0.19 12.44 -2.07 0.11 -2.58 119.66 122.86 2hye s GLN 332 Ca 0.67 -0.46 -0.07 0.00 -1.82 0.00 0.00 55.36 53.67 2hye s GLN 332 Cb -0.11 0.37 -0.04 0.00 -1.09 0.00 0.00 33.01 32.15 2hye s GLN 332 CO 0.53 -0.44 0.05 -1.17 -1.32 0.00 0.00 175.29 172.95 2hye s LEU 333 N -2.72 3.67 0.16 2.60 2.96 0.72 0.52 118.68 126.59 2hye s LEU 333 Ca 0.09 -0.00 0.09 0.00 -0.22 0.00 0.00 54.13 54.08 2hye s LEU 333 Cb -0.01 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 2hye s LEU 333 CO -0.03 0.13 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.25 2hye s VAL 334 N 0.65 1.85 -0.13 1.68 1.01 0.16 -1.83 120.40 123.77 2hye s VAL 334 Ca 0.03 -1.90 -0.02 0.00 0.00 0.00 0.00 61.98 60.08 2hye s VAL 334 Cb -0.13 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 2hye s VAL 334 CO 0.02 -0.29 -0.05 -0.75 0.00 0.00 0.00 175.10 174.03 2hye s LYS 335 N -2.74 3.45 -0.80 2.72 2.47 -0.85 -1.52 119.74 122.47 2hye s LYS 335 Ca 0.15 -0.53 -0.12 0.00 -1.56 0.00 0.00 55.97 53.92 2hye s LYS 335 Cb -0.06 -2.83 0.21 0.00 -1.46 0.00 0.00 37.83 33.69 2hye s LYS 335 CO 0.07 0.35 0.73 -0.51 0.16 0.00 0.00 175.35 176.14 2hye s LEU 336 N 0.07 6.50 0.45 5.43 1.43 0.20 -2.01 118.68 130.75 2hye s LEU 336 Ca -0.01 -2.76 -0.25 0.00 -1.03 0.00 0.00 54.13 50.08 2hye s LEU 336 Cb -0.14 -2.15 -0.08 0.00 0.03 0.00 0.00 46.19 43.85 2hye s LEU 336 CO 0.03 -0.53 1.43 0.59 0.23 0.00 0.00 176.35 178.10 2hye n ASN 337 N 3.83 3.30 0.00 2.29 3.02 0.22 -4.86 115.26 123.06 2hye n ASN 337 Ca 0.13 1.12 0.11 0.00 -0.03 0.00 0.00 54.58 55.91 2hye n ASN 337 Cb 0.45 -1.60 -0.13 0.00 -0.61 0.00 0.00 39.78 37.89 2hye n ASN 337 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2hye n VAL 338 N -0.23 0.05 -3.62 2.41 0.24 -1.26 -4.66 118.33 111.26 2hye n VAL 338 Ca 0.05 -0.38 -0.38 0.00 -2.04 0.00 0.00 64.34 61.60 2hye n VAL 338 Cb 0.41 0.20 -0.07 0.00 -1.47 0.00 0.00 33.84 32.92 2hye n VAL 338 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2hye s ASP 339 N -4.21 5.90 -0.44 -1.34 1.01 -1.26 -5.05 116.67 111.28 2hye s ASP 339 Ca -0.03 -3.34 -0.41 0.00 0.71 0.00 0.00 52.55 49.48 2hye s ASP 339 Cb 0.14 -1.94 -0.17 0.00 1.01 0.00 0.00 42.92 41.96 2hye s ASP 339 CO 0.88 -0.28 1.61 -0.24 0.21 0.00 0.00 175.17 177.35 2hye n SER 340 N 2.87 0.91 -2.31 0.27 2.88 -1.26 -4.93 113.62 112.04 2hye n SER 340 Ca 0.16 0.87 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 2hye n SER 340 Cb 0.38 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 2hye n SER 340 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2hye n ASN 341 N 4.80 -0.27 -4.58 -3.46 6.94 -1.24 -4.76 115.26 112.68 2hye n ASN 341 Ca 0.36 -0.71 -0.40 0.00 -0.02 0.00 0.00 54.58 53.81 2hye n ASN 341 Cb -0.05 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 37.40 2hye n ASN 341 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 2hye n GLU 342 N -0.99 1.04 -1.58 -3.83 0.28 -1.26 -0.89 120.64 113.41 2hye n GLU 342 Ca 0.00 0.39 -0.17 0.00 -0.16 0.00 0.00 57.16 57.21 2hye n GLU 342 Cb 0.00 -2.01 -0.07 0.00 1.43 0.00 0.00 31.44 30.79 2hye n GLU 342 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2hye n GLN 343 N -0.24 -1.23 -4.03 3.44 6.02 -1.26 -3.51 117.38 116.57 2hye n GLN 343 Ca 0.11 1.09 -0.33 0.00 -0.01 0.00 0.00 57.00 57.86 2hye n GLN 343 Cb 0.43 -5.35 -0.02 0.00 1.02 0.00 0.00 30.24 26.32 2hye n GLN 343 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2hye n GLY 344 N -0.85 -0.47 3.25 1.08 0.00 -0.07 -4.95 105.19 103.18 2hye n GLY 344 Ca -0.18 0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 2hye n GLY 344 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hye s SER 345 N -4.02 5.40 0.38 1.61 0.15 -1.23 -4.88 113.70 111.11 2hye s SER 345 Ca 0.20 -1.37 0.15 0.00 0.70 0.00 0.00 55.95 55.63 2hye s SER 345 Cb -0.09 -1.90 0.75 0.00 -1.71 0.00 0.00 66.02 63.07 2hye s SER 345 CO 0.93 -0.42 1.81 1.88 1.20 0.00 0.00 173.24 178.64 2hye h TYR 346 N 8.25 0.00 -3.78 3.44 -1.99 -1.27 -3.28 116.97 118.34 2hye h TYR 346 Ca -0.22 0.00 -0.49 0.00 2.00 0.00 0.00 58.73 60.02 2hye h TYR 346 Cb 1.08 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.80 2hye h TYR 346 CO 0.60 0.37 0.39 0.08 -0.00 0.00 0.00 178.16 179.60 2hye s VAL 347 N -3.99 3.89 -0.20 -2.88 1.01 -1.15 -0.61 120.40 116.46 2hye s VAL 347 Ca -0.02 1.87 -0.04 0.00 0.00 0.00 0.00 61.98 63.78 2hye s VAL 347 Cb 0.13 -4.17 0.10 0.00 0.00 0.00 0.00 36.38 32.44 2hye s VAL 347 CO 0.70 0.42 0.34 0.68 0.00 0.00 0.00 175.10 177.24 2hye s VAL 348 N -1.22 -0.53 -0.33 2.92 -7.23 -0.85 -4.90 120.40 108.26 2hye s VAL 348 Ca 0.43 0.05 -0.39 0.00 -1.81 0.00 0.00 61.98 60.26 2hye s VAL 348 Cb -0.27 -0.68 -0.14 0.00 0.56 0.00 0.00 36.38 35.84 2hye s VAL 348 CO 0.34 -0.04 1.94 0.00 -0.31 0.00 0.00 175.10 177.03 2hye n ALA 349 N 5.36 0.31 -0.09 1.32 0.00 -1.26 -2.00 120.51 124.15 2hye n ALA 349 Ca -0.05 0.21 -0.12 0.00 0.00 0.00 0.00 53.44 53.48 2hye n ALA 349 Cb 0.50 -2.32 -0.05 0.00 0.00 0.00 0.00 19.45 17.58 2hye n ALA 349 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2hye n MET 350 N 6.60 0.51 -3.45 0.00 1.56 -0.76 -4.89 117.12 116.69 2hye n MET 350 Ca 0.35 0.39 -0.13 0.00 -0.27 0.00 0.00 57.70 58.04 2hye n MET 350 Cb 0.15 -1.59 -0.03 0.00 2.15 0.00 0.00 33.22 33.90 2hye n MET 350 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 2hye s GLU 351 N -2.52 1.16 0.04 2.12 2.12 -0.79 -4.99 118.70 115.83 2hye s GLU 351 Ca -0.25 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 54.80 2hye s GLU 351 Cb 0.05 0.54 -0.03 0.00 0.26 0.00 0.00 34.13 34.95 2hye s GLU 351 CO 0.38 -0.48 -0.04 0.95 -0.54 0.00 0.00 175.26 175.53 2hye s THR 352 N -3.09 0.27 -0.02 -1.70 -4.23 -1.26 -0.20 115.64 105.41 2hye s THR 352 Ca -0.01 -1.18 0.06 0.00 -1.18 0.00 0.00 61.69 59.38 2hye s THR 352 Cb -0.01 -0.66 -0.01 0.00 1.34 0.00 0.00 72.50 73.16 2hye s THR 352 CO -0.08 -0.59 -0.19 -0.36 -0.54 0.00 0.00 174.62 172.87 2hye s PHE 353 N -2.02 1.68 0.31 3.99 0.40 -1.07 -5.01 117.98 116.26 2hye s PHE 353 Ca -0.09 -0.33 -0.26 0.00 -0.60 0.00 0.00 56.93 55.65 2hye s PHE 353 Cb -0.06 -1.09 -0.15 0.00 0.51 0.00 0.00 43.02 42.24 2hye s PHE 353 CO -0.02 -0.04 0.65 2.41 0.70 0.00 0.00 175.22 178.91 2hye n THR 354 N 2.66 1.83 -3.38 0.64 -1.04 -1.26 -3.32 114.28 110.42 2hye n THR 354 Ca -0.15 -0.50 -0.15 0.00 -2.04 0.00 0.00 64.05 61.21 2hye n THR 354 Cb 0.53 -0.47 -0.09 0.00 -1.82 0.00 0.00 70.33 68.49 2hye n THR 354 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2hye s ASN 355 N -0.85 1.35 0.35 8.00 3.84 -1.26 -4.80 114.94 121.57 2hye s ASN 355 Ca 0.62 -0.63 0.11 0.00 0.21 0.00 0.00 52.86 53.16 2hye s ASN 355 Cb -0.74 0.65 0.65 0.00 -0.55 0.00 0.00 41.25 41.26 2hye s ASN 355 CO 0.58 -0.38 1.80 -0.07 -2.79 0.00 0.00 177.10 176.24 2hye h LEU 356 N 8.24 0.10-10.28 3.21 3.38 -1.90 -3.43 115.31 114.62 2hye h LEU 356 Ca -0.12 -0.03 -0.49 0.00 0.09 0.00 0.00 57.88 57.32 2hye h LEU 356 Cb 1.09 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 41.84 2hye h LEU 356 CO 0.32 0.45 0.09 -0.83 0.09 0.00 0.00 178.44 178.56 2hye s GLY 357 N -4.26 1.51 0.05 0.83 0.00 -1.26 -3.80 107.32 100.39 2hye s GLY 357 Ca -0.04 -0.51 -0.30 0.00 0.00 0.00 0.00 44.72 43.87 2hye s GLY 357 CO 0.74 -0.36 0.96 2.56 0.00 0.00 0.00 173.10 177.00 2hye s PRO 358 N -4.66 4.62 -0.25 2.90 0.04 -1.21 -4.00 135.00 132.44 2hye s PRO 358 Ca 0.47 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.63 2hye s PRO 358 Cb -0.10 -3.42 -0.00 0.00 0.04 0.00 0.00 34.50 31.02 2hye s PRO 358 CO 0.43 0.08 1.25 0.42 0.04 0.00 0.00 177.00 179.22 2hye s ILE 359 N 0.53 4.26 -0.14 0.56 -1.09 -1.10 -2.40 121.20 121.82 2hye s ILE 359 Ca 0.49 1.47 0.19 0.00 -2.23 0.00 0.00 60.65 60.57 2hye s ILE 359 Cb -0.22 -4.13 -0.27 0.00 -1.58 0.00 0.00 42.46 36.26 2hye s ILE 359 CO 0.28 -0.34 0.25 0.52 -1.23 0.00 0.00 174.94 174.43 2hye n VAL 360 N 5.83 0.96 -3.62 2.92 0.31 -0.30 -4.31 118.33 120.13 2hye n VAL 360 Ca 0.14 -0.74 -0.06 0.00 -0.01 0.00 0.00 64.34 63.67 2hye n VAL 360 Cb 0.46 -0.35 -0.02 0.00 -0.91 0.00 0.00 33.84 33.02 2hye n VAL 360 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2hye s ASP 361 N -5.23 -0.28 -0.13 4.52 2.15 -1.23 -4.70 116.67 111.77 2hye s ASP 361 Ca -0.09 -0.20 -0.30 0.00 0.43 0.00 0.00 52.55 52.39 2hye s ASP 361 Cb 0.09 0.45 0.12 0.00 -0.30 0.00 0.00 42.92 43.28 2hye s ASP 361 CO 0.85 -0.78 1.00 0.00 -0.17 0.00 0.00 175.17 176.08 2hye s MET 362 N -3.24 0.60 0.03 4.34 0.23 -1.26 -0.14 119.30 119.86 2hye s MET 362 Ca 0.08 -0.01 0.05 0.00 -1.03 0.00 0.00 55.69 54.78 2hye s MET 362 Cb -0.01 0.28 -0.02 0.00 -1.53 0.00 0.00 34.83 33.55 2hye s MET 362 CO -0.04 -0.22 -0.14 0.00 -2.03 0.00 0.00 175.02 172.60 2hye s VAL 364 N -0.76 5.14 0.01 0.00 1.01 -1.26 -2.77 120.40 121.77 2hye s VAL 364 Ca 0.02 1.09 -0.13 0.00 0.00 0.00 0.00 61.98 62.96 2hye s VAL 364 Cb -0.07 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.44 2hye s VAL 364 CO 0.01 0.31 0.28 0.54 0.00 0.00 0.00 175.10 176.23 2hye s VAL 365 N 0.65 0.07 -0.51 2.92 0.11 -0.94 -4.92 120.40 117.79 2hye s VAL 365 Ca 0.29 -0.60 0.07 0.00 -2.93 0.00 0.00 61.98 58.82 2hye s VAL 365 Cb -0.16 -0.72 0.29 0.00 -1.53 0.00 0.00 36.38 34.26 2hye s VAL 365 CO 0.13 -0.33 0.73 -0.67 -3.33 0.00 0.00 175.10 171.63 2hye n ASP 366 N 1.03 2.44 -0.26 3.54 4.64 -1.26 0.95 116.55 127.63 2hye n ASP 366 Ca -0.21 -3.22 0.11 0.00 -1.38 0.00 0.00 54.79 50.09 2hye n ASP 366 Cb 0.57 -0.63 0.21 0.00 -1.04 0.00 0.00 41.12 40.24 2hye n ASP 366 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 2hye n LEU 367 N 0.64 -0.10 0.07 -2.67 4.77 -1.26 0.13 117.00 118.58 2hye n LEU 367 Ca 0.27 1.28 0.11 0.00 -0.03 0.00 0.00 56.01 57.64 2hye n LEU 367 Cb 0.48 -0.46 0.45 0.00 -2.33 0.00 0.00 43.42 41.56 2hye n LEU 367 CO 0.30 -1.29 0.85 -0.62 -1.33 0.00 0.00 177.39 175.30 2hye n GLU 368 N -5.05 0.14 -1.41 3.23 4.71 -1.26 -4.90 120.64 116.10 2hye n GLU 368 Ca 0.17 0.26 -0.14 0.00 -0.01 0.00 0.00 57.16 57.44 2hye n GLU 368 Cb 0.57 -1.71 -0.06 0.00 -1.01 0.00 0.00 31.44 29.22 2hye n GLU 368 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2hye n ARG 369 N -1.97 -1.16 -0.03 3.49 1.74 0.34 -4.87 116.66 114.20 2hye n ARG 369 Ca 0.04 0.99 0.10 0.00 -0.77 0.00 0.00 57.85 58.20 2hye n ARG 369 Cb 0.29 -5.16 0.49 0.00 -1.02 0.00 0.00 32.46 27.05 2hye n ARG 369 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2hye n GLN 370 N -2.24 1.24 -2.27 5.56 10.64 -1.26 -4.89 117.38 124.16 2hye n GLN 370 Ca -0.14 -0.36 -0.00 0.00 -1.83 0.00 0.00 57.00 54.66 2hye n GLN 370 Cb 0.51 -1.32 0.00 0.00 -0.86 0.00 0.00 30.24 28.57 2hye n GLN 370 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2hye n GLY 371 N 0.90 0.66 2.72 2.61 0.00 -1.26 -4.91 105.19 105.91 2hye n GLY 371 Ca 0.14 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 45.21 2hye n GLY 371 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hye s GLN 372 N -4.54 0.46 0.64 1.61 -0.21 -1.26 -2.59 119.66 113.77 2hye s GLN 372 Ca 0.00 -0.55 -0.16 0.00 0.02 0.00 0.00 55.36 54.67 2hye s GLN 372 Cb -0.00 -0.77 -0.01 0.00 1.00 0.00 0.00 33.01 33.23 2hye s GLN 372 CO 0.01 -1.11 1.15 0.20 -2.12 0.00 0.00 175.29 173.41 2hye s GLY 373 N 1.86 2.37 0.44 3.09 0.00 -1.23 -4.63 107.32 109.22 2hye s GLY 373 Ca 0.13 0.74 0.04 0.00 0.00 0.00 0.00 44.72 45.62 2hye s GLY 373 CO -0.19 1.10 0.02 1.20 0.00 0.00 0.00 173.10 175.24 2hye s GLN 374 N -3.78 2.03 -0.17 2.90 -0.21 0.27 -4.50 119.66 116.20 2hye s GLN 374 Ca 0.71 -2.22 0.01 0.00 0.02 0.00 0.00 55.36 53.87 2hye s GLN 374 Cb -0.24 -1.40 0.03 0.00 1.00 0.00 0.00 33.01 32.39 2hye s GLN 374 CO 0.38 -0.24 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.65 2hye s LEU 375 N -3.75 1.92 -0.17 2.90 1.43 0.81 -2.21 118.68 119.61 2hye s LEU 375 Ca 0.21 -0.61 -0.06 0.00 -1.03 0.00 0.00 54.13 52.64 2hye s LEU 375 Cb 0.05 -1.25 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 2hye s LEU 375 CO 0.11 -0.07 0.02 -0.69 0.23 0.00 0.00 176.35 175.96 2hye s VAL 376 N 1.43 4.43 0.02 -1.59 1.01 -1.12 -0.26 120.40 124.33 2hye s VAL 376 Ca 0.04 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.91 2hye s VAL 376 Cb -0.14 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 2hye s VAL 376 CO -0.11 0.47 -0.15 0.42 0.00 0.00 0.00 175.10 175.73 2hye s THR 377 N 0.39 1.23 -0.38 3.92 -4.23 -0.25 -1.79 115.64 114.52 2hye s THR 377 Ca 0.00 -0.91 -0.26 0.00 -1.18 0.00 0.00 61.69 59.34 2hye s THR 377 Cb -0.13 -1.07 0.02 0.00 1.34 0.00 0.00 72.50 72.65 2hye s THR 377 CO 0.01 0.15 0.95 0.00 -0.54 0.00 0.00 174.62 175.19 2hye s SER 379 N 1.95 3.91 0.18 0.00 0.01 -0.18 -1.15 113.70 118.43 2hye s SER 379 Ca 0.39 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.68 2hye s SER 379 Cb -0.11 -0.46 0.00 0.00 0.21 0.00 0.00 66.02 65.66 2hye s SER 379 CO 0.20 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.41 2hye n GLY 380 N -0.76 -2.04 1.23 3.44 0.00 -1.01 -2.64 105.19 103.42 2hye n GLY 380 Ca -0.05 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.61 2hye n GLY 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hye n ALA 381 N -1.29 3.00 -2.00 4.61 0.00 -1.16 -4.59 120.51 119.09 2hye n ALA 381 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hye n ALA 381 Cb 0.23 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.72 2hye n ALA 381 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2hye n PHE 382 N -2.69 0.00 -0.18 0.00 3.01 -1.26 -2.24 117.46 114.11 2hye n PHE 382 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.36 2hye n PHE 382 Cb 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.48 2hye n PHE 382 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 2hye h LYS 383 N 0.00 0.99 -0.46 -1.08 3.11 -1.92 -2.12 116.57 115.08 2hye h LYS 383 Ca 0.00 -0.37 0.00 0.00 -2.81 0.00 0.00 60.65 57.47 2hye h LYS 383 Cb 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.17 2hye h LYS 383 CO 0.00 1.04 0.00 0.39 -2.81 0.00 0.00 179.45 178.07 2hye n GLU 384 N -4.19 0.54 -1.58 1.90 -0.58 -1.26 -3.78 120.64 111.69 2hye n GLU 384 Ca 0.01 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.36 2hye n GLU 384 Cb 0.39 -1.23 0.03 0.00 -0.57 0.00 0.00 31.44 30.07 2hye n GLU 384 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hye n GLY 385 N 0.21 -0.56 3.58 0.62 0.00 -1.01 -4.01 105.19 104.02 2hye n GLY 385 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 46.00 2hye n GLY 385 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hye s SER 386 N -1.05 -0.03 0.11 1.61 1.04 -1.08 -1.54 113.70 112.76 2hye s SER 386 Ca 0.70 -0.05 0.08 0.00 0.48 0.00 0.00 55.95 57.16 2hye s SER 386 Cb -0.47 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.68 2hye s SER 386 CO 0.52 -0.12 -0.21 -0.76 0.98 0.00 0.00 173.24 173.65 2hye s LEU 387 N -2.92 2.31 0.06 2.42 1.43 -1.12 -1.01 118.68 119.86 2hye s LEU 387 Ca 0.14 -0.70 0.05 0.00 -1.03 0.00 0.00 54.13 52.58 2hye s LEU 387 Cb 0.06 -0.91 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 2hye s LEU 387 CO -0.05 0.06 -0.13 -0.13 0.23 0.00 0.00 176.35 176.33 2hye s ARG 388 N -1.98 0.76 -0.26 1.70 1.81 -0.88 -1.45 118.95 118.65 2hye s ARG 388 Ca 0.08 -0.91 0.01 0.00 -1.72 0.00 0.00 55.73 53.19 2hye s ARG 388 Cb -0.10 -0.72 0.07 0.00 -0.45 0.00 0.00 34.95 33.75 2hye s ARG 388 CO 0.05 0.16 -0.04 0.42 -0.68 0.00 0.00 175.30 175.20 2hye s ILE 389 N -1.29 1.68 -0.26 1.52 1.01 0.20 -1.09 121.20 122.97 2hye s ILE 389 Ca -0.04 -1.43 -0.15 0.00 0.00 0.00 0.00 60.65 59.03 2hye s ILE 389 Cb -0.10 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 2hye s ILE 389 CO 0.02 -0.18 0.39 -0.63 0.00 0.00 0.00 174.94 174.54 2hye s ILE 390 N 1.30 5.17 0.01 2.92 -1.09 0.64 -1.33 121.20 128.82 2hye s ILE 390 Ca -0.04 0.62 0.01 0.00 -2.23 0.00 0.00 60.65 59.02 2hye s ILE 390 Cb -0.19 -3.71 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 2hye s ILE 390 CO -0.07 0.17 -0.03 -0.60 -1.23 0.00 0.00 174.94 173.18 2hye s ARG 391 N 1.94 0.21 -0.10 2.79 3.52 -0.48 -0.13 118.95 126.70 2hye s ARG 391 Ca 0.16 -0.23 -0.30 0.00 -0.13 0.00 0.00 55.73 55.24 2hye s ARG 391 Cb -0.16 -0.12 -0.02 0.00 -1.56 0.00 0.00 34.95 33.10 2hye s ARG 391 CO 0.09 0.03 1.16 -0.80 -0.81 0.00 0.00 175.30 174.96 2hye s ASN 392 N -0.43 7.08 0.28 -2.12 0.01 -1.26 0.86 114.94 119.34 2hye s ASN 392 Ca -0.03 1.69 0.04 0.00 -0.71 0.00 0.00 52.86 53.85 2hye s ASN 392 Cb -0.03 -2.55 -0.06 0.00 0.41 0.00 0.00 41.25 39.02 2hye s ASN 392 CO -0.00 -0.60 0.00 -0.83 -1.51 0.00 0.00 177.10 174.16 2hye s GLY 393 N 1.47 1.81 0.18 0.66 0.00 0.26 -4.66 107.32 107.04 2hye s GLY 393 Ca 0.53 -1.91 -0.00 0.00 0.00 0.00 0.00 44.72 43.34 2hye s GLY 393 CO 0.18 -1.77 0.36 -0.42 0.00 0.00 0.00 173.10 171.46 2hye s ILE 394 N -3.26 5.24 0.00 0.90 -1.09 -1.01 -1.36 121.20 120.62 2hye s ILE 394 Ca 0.32 -0.43 0.00 0.00 -2.23 0.00 0.00 60.65 58.31 2hye s ILE 394 Cb 0.06 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 2hye s ILE 394 CO 0.12 -0.14 0.00 0.61 -1.23 0.00 0.00 174.94 174.30 2hye n GLY 395 N -0.59 5.68 2.94 6.18 0.00 -1.26 0.15 105.19 118.29 2hye n GLY 395 Ca -0.05 -2.07 -0.14 0.00 0.00 0.00 0.00 46.02 43.76 2hye n GLY 395 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2hye s ILE 396 N -0.27 -0.13 0.04 -0.61 -0.00 -1.26 -0.05 121.20 118.91 2hye s ILE 396 Ca 0.00 0.23 -0.30 0.00 -0.00 0.00 0.00 60.65 60.57 2hye s ILE 396 Cb 0.00 -0.30 -0.05 0.00 -0.00 0.00 0.00 42.46 42.11 2hye s ILE 396 CO 0.00 0.09 1.17 -1.00 -0.00 0.00 0.00 174.94 175.20 2hye s HIS 397 N 1.58 3.43 -0.79 1.37 3.76 0.20 -4.79 115.29 120.05 2hye s HIS 397 Ca -0.05 1.34 -0.13 0.00 -0.15 0.00 0.00 55.06 56.06 2hye s HIS 397 Cb -0.11 -3.38 0.21 0.00 1.11 0.00 0.00 32.58 30.40 2hye s HIS 397 CO -0.07 -1.12 0.72 -2.00 -0.85 0.00 0.00 174.74 171.42 2hye s GLU 398 N 1.24 3.47 0.19 1.40 2.12 -1.26 -1.65 118.70 124.21 2hye s GLU 398 Ca 0.57 -2.42 -0.11 0.00 0.36 0.00 0.00 54.97 53.37 2hye s GLU 398 Cb -0.28 -4.36 0.12 0.00 0.26 0.00 0.00 34.13 29.88 2hye s GLU 398 CO 0.28 -1.28 1.83 0.45 -0.54 0.00 0.00 175.26 176.00 2hye h HIS 399 N 7.79 0.90 -3.74 5.30 3.86 -1.81 -3.46 115.15 123.99 2hye h HIS 399 Ca 0.07 -0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.19 2hye h HIS 399 Cb 1.04 -0.30 -0.13 0.00 1.06 0.00 0.00 27.41 29.08 2hye h HIS 399 CO 0.99 0.61 -0.30 0.00 0.86 0.00 0.00 177.93 180.09 2hye s ALA 400 N -5.97 -0.33 -0.13 2.45 0.00 -0.90 -5.01 121.76 111.86 2hye s ALA 400 Ca -0.13 -0.55 -0.05 0.00 0.00 0.00 0.00 51.96 51.23 2hye s ALA 400 Cb 0.14 0.58 0.06 0.00 0.00 0.00 0.00 23.12 23.91 2hye s ALA 400 CO 0.78 -0.56 0.28 0.45 0.00 0.00 0.00 175.76 176.71 2hye s SER 401 N -2.87 0.15 0.37 0.00 0.15 -1.26 -1.94 113.70 108.30 2hye s SER 401 Ca 0.06 0.63 0.08 0.00 0.70 0.00 0.00 55.95 57.42 2hye s SER 401 Cb 0.04 0.72 -0.02 0.00 -1.71 0.00 0.00 66.02 65.05 2hye s SER 401 CO -0.10 -0.22 0.35 -0.63 1.20 0.00 0.00 173.24 173.84 2hye s ILE 402 N 2.19 3.16 -0.87 6.45 -1.09 0.51 -4.97 121.20 126.58 2hye s ILE 402 Ca -0.01 -1.32 0.01 0.00 -2.23 0.00 0.00 60.65 57.09 2hye s ILE 402 Cb -0.12 -3.10 0.32 0.00 -1.58 0.00 0.00 42.46 37.98 2hye s ILE 402 CO -0.09 -0.09 1.43 -0.67 -1.23 0.00 0.00 174.94 174.29 2hye n ASP 403 N -1.48 6.08 -4.53 3.58 2.03 -1.26 -2.39 116.55 118.58 2hye n ASP 403 Ca 0.01 -3.64 -0.42 0.00 0.52 0.00 0.00 54.79 51.26 2hye n ASP 403 Cb 0.60 -0.95 -0.08 0.00 -0.72 0.00 0.00 41.12 39.97 2hye n ASP 403 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2hye s LEU 404 N -3.74 4.50 -1.15 -2.67 2.01 -1.19 -4.89 118.68 111.55 2hye s LEU 404 Ca 0.41 -0.25 -0.06 0.00 0.01 0.00 0.00 54.13 54.24 2hye s LEU 404 Cb 0.20 -2.57 0.25 0.00 0.01 0.00 0.00 46.19 44.08 2hye s LEU 404 CO -0.09 -0.57 1.60 -0.81 1.01 0.00 0.00 176.35 177.48 2hye n PRO 405 N 5.83 4.11 0.00 1.29 -0.04 -1.24 -2.82 135.00 142.13 2hye n PRO 405 Ca -0.05 -4.18 0.00 0.00 -0.04 0.00 0.00 63.50 59.24 2hye n PRO 405 Cb 0.48 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 2hye n PRO 405 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hye n GLY 406 N 1.99 -0.09 3.64 0.55 0.00 -1.24 -4.97 105.19 105.07 2hye n GLY 406 Ca 0.31 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.79 2hye n GLY 406 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2hye n ILE 407 N 0.00 0.12 -1.22 -0.61 5.41 -1.26 -4.29 119.36 117.51 2hye n ILE 407 Ca 0.00 -0.02 0.08 0.00 1.00 0.00 0.00 62.75 63.81 2hye n ILE 407 Cb 0.00 -1.00 0.18 0.00 -0.71 0.00 0.00 39.64 38.11 2hye n ILE 407 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2hye n LYS 408 N 3.64 1.58 0.00 0.38 4.76 0.24 -4.89 118.16 123.86 2hye n LYS 408 Ca 0.21 -2.83 0.00 0.00 -2.87 0.00 0.00 58.31 52.82 2hye n LYS 408 Cb 0.17 -1.59 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 2hye n LYS 408 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2hye n GLY 409 N -1.23 4.52 3.06 0.72 0.00 -1.25 -4.88 105.19 106.13 2hye n GLY 409 Ca 0.19 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 2hye n GLY 409 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2hye s LEU 410 N 0.00 1.32 0.04 0.99 0.05 -1.26 -1.50 118.68 118.31 2hye s LEU 410 Ca 0.00 0.35 0.03 0.00 0.05 0.00 0.00 54.13 54.56 2hye s LEU 410 Cb 0.00 0.61 -0.02 0.00 -2.05 0.00 0.00 46.19 44.73 2hye s LEU 410 CO 0.00 -0.06 -0.09 0.26 -0.55 0.00 0.00 176.35 175.91 2hye s TRP 411 N 0.08 0.76 -0.26 3.48 0.51 -0.75 -4.58 118.94 118.18 2hye s TRP 411 Ca -0.00 -0.39 -0.11 0.00 -2.12 0.00 0.00 56.10 53.47 2hye s TRP 411 Cb -0.01 -0.45 -0.05 0.00 -0.81 0.00 0.00 33.47 32.15 2hye s TRP 411 CO 0.00 -0.04 0.21 -1.25 -0.51 0.00 0.00 176.95 175.36 2hye s PRO 412 N -1.25 4.02 0.00 4.98 0.04 -1.26 0.53 135.00 142.06 2hye s PRO 412 Ca -0.05 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 60.75 2hye s PRO 412 Cb -0.08 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.86 2hye s PRO 412 CO 0.01 -0.08 0.00 1.28 0.04 0.00 0.00 177.00 178.25 2hye n LEU 413 N 4.73 0.00 -3.03 -3.56 4.77 -1.06 -4.76 117.00 114.09 2hye n LEU 413 Ca -0.14 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.80 2hye n LEU 413 Cb 0.52 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 2hye n LEU 413 CO 0.35 -0.20 0.05 -0.60 -1.33 0.00 0.00 177.39 175.67 2hye s ARG 414 N 0.55 0.93 0.25 3.23 6.06 -1.26 -3.61 118.95 125.10 2hye s ARG 414 Ca 0.00 -0.80 0.00 0.00 -2.50 0.00 0.00 55.73 52.43 2hye s ARG 414 Cb 0.00 -0.14 0.57 0.00 0.06 0.00 0.00 34.95 35.44 2hye s ARG 414 CO 0.00 -1.27 1.26 0.45 -2.50 0.00 0.00 175.30 173.24 2hye n SER 415 N 3.64 -0.13 -4.11 -2.12 2.88 -1.26 -4.52 113.62 108.00 2hye n SER 415 Ca 0.15 1.37 -0.19 0.00 -1.33 0.00 0.00 58.87 58.87 2hye n SER 415 Cb 0.55 -0.48 -0.14 0.00 -0.75 0.00 0.00 64.21 63.39 2hye n SER 415 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2hye s ASP 416 N -5.04 1.49 0.66 -3.46 1.47 -1.26 -4.79 116.67 105.74 2hye s ASP 416 Ca -0.11 -0.40 0.41 0.00 1.18 0.00 0.00 52.55 53.64 2hye s ASP 416 Cb 0.23 -0.10 2.26 0.00 -0.34 0.00 0.00 42.92 44.97 2hye s ASP 416 CO 0.63 0.04 2.29 -0.65 0.68 0.00 0.00 175.17 178.15 2hye h PRO 417 N 5.14 0.00 0.00 2.11 0.11 -1.97 -3.26 132.00 134.12 2hye h PRO 417 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2hye h PRO 417 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2hye h PRO 417 CO 0.45 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.33 2hye n ASN 418 N -3.09 0.00 -4.61 -2.05 4.13 -1.26 -4.83 115.26 103.55 2hye n ASN 418 Ca -0.03 0.29 -0.40 0.00 1.68 0.00 0.00 54.58 56.13 2hye n ASN 418 Cb 0.13 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.40 2hye n ASN 418 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 2hye n ARG 419 N -0.36 1.18 -0.20 3.52 -4.01 -1.23 -4.96 116.66 110.60 2hye n ARG 419 Ca 0.00 0.43 0.10 0.00 -1.04 0.00 0.00 57.85 57.34 2hye n ARG 419 Cb 0.00 -2.10 0.20 0.00 -3.04 0.00 0.00 32.46 27.52 2hye n ARG 419 CO 0.00 0.00 0.00 -0.85 -3.04 0.00 0.00 177.63 173.74 2hye n GLU 420 N -0.32 2.40 -4.21 2.89 0.28 -1.26 -4.87 120.64 115.56 2hye n GLU 420 Ca 0.11 -2.18 -0.30 0.00 -0.16 0.00 0.00 57.16 54.62 2hye n GLU 420 Cb 0.43 -1.44 -0.09 0.00 1.43 0.00 0.00 31.44 31.77 2hye n GLU 420 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 2hye s THR 421 N -1.22 3.73 1.09 3.84 -4.23 -1.26 -5.06 115.64 112.52 2hye s THR 421 Ca 0.34 -1.05 -0.12 0.00 -1.18 0.00 0.00 61.69 59.67 2hye s THR 421 Cb 0.19 -2.74 0.24 0.00 1.34 0.00 0.00 72.50 71.53 2hye s THR 421 CO 0.27 0.16 1.06 -0.31 -0.54 0.00 0.00 174.62 175.25 2hye s TYR 422 N -1.23 1.65 0.00 3.99 4.12 -1.23 -4.86 117.35 119.80 2hye s TYR 422 Ca 0.23 1.16 0.00 0.00 0.02 0.00 0.00 57.07 58.47 2hye s TYR 422 Cb -0.11 -3.16 0.00 0.00 -1.52 0.00 0.00 41.96 37.16 2hye s TYR 422 CO 0.15 -3.44 0.05 -0.40 0.02 0.00 0.00 175.55 171.93 2hye n ASP 423 N -4.60 0.00 -4.21 2.29 5.68 -1.24 -4.26 116.55 110.20 2hye n ASP 423 Ca 0.04 -1.00 -0.12 0.00 -0.50 0.00 0.00 54.79 53.21 2hye n ASP 423 Cb 0.55 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.43 2hye n ASP 423 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2hye s THR 424 N 0.00 0.79 -0.24 2.12 2.01 -1.26 -0.25 115.64 118.80 2hye s THR 424 Ca 0.00 -1.98 -0.05 0.00 0.31 0.00 0.00 61.69 59.98 2hye s THR 424 Cb 0.00 -1.89 0.13 0.00 0.01 0.00 0.00 72.50 70.75 2hye s THR 424 CO 0.00 -0.70 0.46 -0.22 -0.69 0.00 0.00 174.62 173.47 2hye s LEU 425 N -3.12 -0.83 -0.17 4.42 2.96 0.39 -2.56 118.68 119.78 2hye s LEU 425 Ca 0.17 0.73 -0.15 0.00 -0.22 0.00 0.00 54.13 54.67 2hye s LEU 425 Cb 0.05 1.51 -0.04 0.00 0.50 0.00 0.00 46.19 48.20 2hye s LEU 425 CO -0.00 -0.26 0.35 -0.69 -1.32 0.00 0.00 176.35 174.42 2hye s VAL 426 N 2.66 5.26 -0.25 1.68 1.01 0.19 -0.95 120.40 129.99 2hye s VAL 426 Ca 0.08 0.64 -0.04 0.00 0.00 0.00 0.00 61.98 62.66 2hye s VAL 426 Cb -0.14 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.57 2hye s VAL 426 CO -0.16 0.34 -0.01 -0.76 0.00 0.00 0.00 175.10 174.50 2hye s LEU 427 N 0.77 3.28 0.05 3.92 1.02 0.44 -1.82 118.68 126.35 2hye s LEU 427 Ca 0.18 -0.67 -0.17 0.00 0.02 0.00 0.00 54.13 53.49 2hye s LEU 427 Cb -0.14 -1.75 -0.06 0.00 0.02 0.00 0.00 46.19 44.26 2hye s LEU 427 CO 0.06 -0.11 0.49 -0.55 0.02 0.00 0.00 176.35 176.26 2hye s SER 428 N 1.42 6.92 0.39 2.29 0.15 -0.56 -1.82 113.70 122.49 2hye s SER 428 Ca 0.03 1.10 0.03 0.00 0.70 0.00 0.00 55.95 57.80 2hye s SER 428 Cb -0.16 -2.30 -0.01 0.00 -1.71 0.00 0.00 66.02 61.84 2hye s SER 428 CO -0.02 0.28 0.10 0.49 1.20 0.00 0.00 173.24 175.29 2hye n PHE 429 N 1.67 0.37 0.00 3.44 3.01 -0.83 0.79 117.46 125.92 2hye n PHE 429 Ca -0.12 -2.34 0.00 0.00 1.01 0.00 0.00 57.45 56.01 2hye n PHE 429 Cb 0.52 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 2hye n PHE 429 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2hye n VAL 430 N -0.91 0.00 -0.93 -4.37 0.31 -1.26 -3.34 118.33 107.83 2hye n VAL 430 Ca -0.09 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.02 2hye n VAL 430 Cb 0.56 -0.14 -0.07 0.00 -0.91 0.00 0.00 33.84 33.28 2hye n VAL 430 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hye n GLY 431 N 0.00 3.25 0.00 2.92 0.00 -1.26 -4.36 105.19 105.74 2hye n GLY 431 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2hye n GLY 431 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hye n GLN 432 N 3.38 -1.62 -4.38 1.61 10.64 -1.08 -4.26 117.38 121.68 2hye n GLN 432 Ca 0.51 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 55.49 2hye n GLN 432 Cb 0.39 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.68 2hye n GLN 432 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2hye s THR 433 N -2.00 0.69 -0.29 -0.39 2.01 -0.67 -1.96 115.64 113.02 2hye s THR 433 Ca 0.00 -2.00 -0.13 0.00 0.31 0.00 0.00 61.69 59.87 2hye s THR 433 Cb 0.00 -2.63 0.12 0.00 0.01 0.00 0.00 72.50 70.00 2hye s THR 433 CO 0.00 0.00 0.71 -0.13 -0.69 0.00 0.00 174.62 174.51 2hye s ARG 434 N -3.93 0.59 -0.05 4.92 0.52 -0.75 -4.78 118.95 115.47 2hye s ARG 434 Ca 0.36 1.28 -0.15 0.00 -0.52 0.00 0.00 55.73 56.70 2hye s ARG 434 Cb 0.07 0.55 -0.05 0.00 0.52 0.00 0.00 34.95 36.04 2hye s ARG 434 CO 0.15 -0.17 0.39 0.08 0.02 0.00 0.00 175.30 175.77 2hye s VAL 435 N 2.35 5.12 -0.05 3.52 1.01 -1.26 -0.42 120.40 130.67 2hye s VAL 435 Ca -0.07 0.78 0.04 0.00 0.00 0.00 0.00 61.98 62.73 2hye s VAL 435 Cb -0.09 -3.70 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 2hye s VAL 435 CO -0.19 0.52 -0.18 -0.76 0.00 0.00 0.00 175.10 174.49 2hye s LEU 436 N -0.62 1.93 -0.15 3.92 1.43 -0.13 -2.01 118.68 123.05 2hye s LEU 436 Ca 0.22 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.91 2hye s LEU 436 Cb -0.16 -1.02 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 2hye s LEU 436 CO 0.11 0.16 -0.02 -0.32 0.23 0.00 0.00 176.35 176.51 2hye s MET 437 N 0.06 3.58 -0.71 1.70 -2.45 -0.20 -0.46 119.30 120.82 2hye s MET 437 Ca -0.05 -0.49 -0.20 0.00 -1.25 0.00 0.00 55.69 53.71 2hye s MET 437 Cb -0.12 -2.92 0.11 0.00 1.25 0.00 0.00 34.83 33.15 2hye s MET 437 CO 0.03 0.33 0.88 -0.51 1.05 0.00 0.00 175.02 176.80 2hye s LEU 438 N 0.14 5.11 -1.26 4.11 1.43 0.65 -2.70 118.68 126.17 2hye s LEU 438 Ca -0.00 -1.53 -0.18 0.00 -1.03 0.00 0.00 54.13 51.38 2hye s LEU 438 Cb -0.13 -2.35 0.08 0.00 0.03 0.00 0.00 46.19 43.81 2hye s LEU 438 CO 0.02 -1.16 1.67 0.21 0.23 0.00 0.00 176.35 177.32 2hye s ASN 439 N 3.55 6.83 0.00 2.29 2.47 -0.96 -4.69 114.94 124.43 2hye s ASN 439 Ca 0.20 -2.39 0.00 0.00 0.42 0.00 0.00 52.86 51.08 2hye s ASN 439 Cb -0.17 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.08 2hye s ASN 439 CO 0.03 -1.16 0.00 0.61 -3.72 0.00 0.00 177.10 172.86 2hye n GLY 440 N 5.43 1.39 0.23 1.21 0.00 -1.26 -1.82 105.19 110.36 2hye n GLY 440 Ca 0.46 0.21 0.01 0.00 0.00 0.00 0.00 46.02 46.70 2hye n GLY 440 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2hye n GLU 441 N 0.00 0.38 -4.14 1.61 2.13 -1.26 -2.95 120.64 116.41 2hye n GLU 441 Ca 0.00 -1.01 -0.25 0.00 0.66 0.00 0.00 57.16 56.56 2hye n GLU 441 Cb 0.00 -0.64 -0.07 0.00 0.27 0.00 0.00 31.44 30.99 2hye n GLU 441 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 2hye s GLU 442 N -0.37 2.22 -0.30 5.31 2.56 -0.76 -5.11 118.70 122.25 2hye s GLU 442 Ca 0.03 -1.85 -0.01 0.00 0.00 0.00 0.00 54.97 53.14 2hye s GLU 442 Cb 0.03 -1.98 0.09 0.00 2.00 0.00 0.00 34.13 34.28 2hye s GLU 442 CO 0.00 -0.12 0.08 0.08 -0.56 0.00 0.00 175.26 174.75 2hye s VAL 443 N -2.60 0.93 0.01 3.70 1.01 -1.26 -2.26 120.40 119.92 2hye s VAL 443 Ca 0.41 -1.36 0.08 0.00 0.00 0.00 0.00 61.98 61.10 2hye s VAL 443 Cb 0.04 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 2hye s VAL 443 CO 0.22 -0.61 -0.23 -1.83 0.00 0.00 0.00 175.10 172.65 2hye s GLU 444 N 1.60 1.75 -0.52 2.72 -1.05 -1.10 -4.99 118.70 117.11 2hye s GLU 444 Ca 0.08 -0.90 -0.28 0.00 -0.15 0.00 0.00 54.97 53.73 2hye s GLU 444 Cb -0.17 -1.77 0.03 0.00 -0.44 0.00 0.00 34.13 31.78 2hye s GLU 444 CO -0.22 0.47 1.11 -2.00 0.95 0.00 0.00 175.26 175.57 2hye s GLU 445 N -0.80 3.58 0.00 -4.83 2.12 -1.26 -1.03 118.70 116.48 2hye s GLU 445 Ca 0.09 0.31 0.00 0.00 0.36 0.00 0.00 54.97 55.73 2hye s GLU 445 Cb -0.09 -3.96 0.00 0.00 0.26 0.00 0.00 34.13 30.34 2hye s GLU 445 CO 0.00 -1.48 0.00 2.41 -0.54 0.00 0.00 175.26 175.65 2hye n THR 446 N 6.66 0.00 -3.53 -1.70 -1.04 -0.85 -4.97 114.28 108.85 2hye n THR 446 Ca 0.09 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.93 2hye n THR 446 Cb 0.49 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.94 2hye n THR 446 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2hye s GLU 447 N 1.58 0.97 -0.06 -2.82 2.56 -1.26 -4.63 118.70 115.05 2hye s GLU 447 Ca 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 54.97 55.18 2hye s GLU 447 Cb 0.00 0.46 0.03 0.00 2.00 0.00 0.00 34.13 36.62 2hye s GLU 447 CO 0.00 -0.31 0.01 -1.17 -0.56 0.00 0.00 175.26 173.24 2hye s LEU 448 N -1.21 0.57 0.00 2.70 2.96 -1.26 -5.05 118.68 117.39 2hye s LEU 448 Ca -0.09 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.77 2hye s LEU 448 Cb -0.00 -0.36 0.00 0.00 0.50 0.00 0.00 46.19 46.33 2hye s LEU 448 CO 0.08 -0.19 0.56 0.80 -1.32 0.00 0.00 176.35 176.28 2hye n MET 449 N 5.05 0.00 -0.56 1.98 1.56 -1.26 -1.86 117.12 122.03 2hye n MET 449 Ca -0.09 0.56 0.46 0.00 -0.27 0.00 0.00 57.70 58.37 2hye n MET 449 Cb 0.50 -1.02 0.79 0.00 2.15 0.00 0.00 33.22 35.63 2hye n MET 449 CO 0.00 0.00 0.00 0.78 -0.73 0.00 0.00 175.97 176.02 2hye h GLY 450 N 0.00 0.11 -1.06 -5.12 0.00 -1.84 -3.44 103.07 91.72 2hye h GLY 450 Ca 0.00 -0.01 -0.46 0.00 0.00 0.00 0.00 47.33 46.86 2hye h GLY 450 CO 0.00 -0.03 0.27 -1.36 0.00 0.00 0.00 176.54 175.42 2hye s PHE 451 N -4.93 2.97 0.34 5.60 0.08 -0.78 -4.71 117.98 116.56 2hye s PHE 451 Ca -0.05 0.55 0.09 0.00 0.12 0.00 0.00 56.93 57.64 2hye s PHE 451 Cb 0.26 -3.20 -0.05 0.00 -0.57 0.00 0.00 43.02 39.45 2hye s PHE 451 CO 0.86 -1.41 0.00 0.08 -0.10 0.00 0.00 175.22 174.66 2hye s VAL 452 N -3.29 2.61 0.00 -0.44 1.01 -1.26 -4.90 120.40 114.13 2hye s VAL 452 Ca 0.60 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 60.59 2hye s VAL 452 Cb -0.11 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.49 2hye s VAL 452 CO 0.46 -0.20 0.00 -0.90 0.00 0.00 0.00 175.10 174.46 2hye n ASP 453 N -0.94 0.00 -0.89 3.32 5.68 -1.26 -4.70 116.55 117.75 2hye n ASP 453 Ca -0.04 -0.59 0.08 0.00 -0.50 0.00 0.00 54.79 53.75 2hye n ASP 453 Cb 0.62 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 40.83 2hye n ASP 453 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2hye n ASP 454 N 0.00 2.60 -4.39 -1.12 3.85 -1.26 -1.67 116.55 114.56 2hye n ASP 454 Ca 0.00 -1.97 -0.22 0.00 -0.71 0.00 0.00 54.79 51.89 2hye n ASP 454 Cb 0.15 -0.31 -0.10 0.00 -1.35 0.00 0.00 41.12 39.51 2hye n ASP 454 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 2hye s GLN 455 N -1.39 1.68 -0.32 0.11 -1.52 -1.26 -4.63 119.66 112.33 2hye s GLN 455 Ca 0.33 -1.95 -0.08 0.00 -1.95 0.00 0.00 55.36 51.71 2hye s GLN 455 Cb 0.17 -0.78 0.01 0.00 -0.22 0.00 0.00 33.01 32.20 2hye s GLN 455 CO 0.23 -0.25 0.12 -1.14 -0.25 0.00 0.00 175.29 174.01 2hye s GLN 456 N -3.88 3.04 0.75 2.91 0.74 -1.26 -2.10 119.66 119.86 2hye s GLN 456 Ca 0.34 -0.91 -0.15 0.00 0.05 0.00 0.00 55.36 54.69 2hye s GLN 456 Cb 0.08 -3.48 0.03 0.00 1.10 0.00 0.00 33.01 30.73 2hye s GLN 456 CO 0.15 -0.51 1.05 2.41 -0.55 0.00 0.00 175.29 177.84 2hye n THR 457 N 4.90 2.64 0.00 -0.34 -1.04 -1.26 -3.64 114.28 115.54 2hye n THR 457 Ca -0.14 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 2hye n THR 457 Cb 0.47 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.83 2hye n THR 457 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2hye n PHE 458 N -2.76 0.00 -3.67 -1.42 3.01 0.08 -4.93 117.46 107.77 2hye n PHE 458 Ca 0.13 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.58 2hye n PHE 458 Cb 0.50 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.96 2hye n PHE 458 CO 0.00 0.00 0.00 0.12 1.01 0.00 0.00 176.76 177.89 2hye s PHE 459 N -1.32 -0.09 0.00 1.38 5.36 -1.12 -4.99 117.98 117.21 2hye s PHE 459 Ca 0.00 -0.09 0.00 0.00 -0.96 0.00 0.00 56.93 55.88 2hye s PHE 459 Cb 0.00 0.58 0.00 0.00 -0.34 0.00 0.00 43.02 43.26 2hye s PHE 459 CO 0.00 -0.49 0.00 0.00 -1.46 0.00 0.00 175.22 173.27 2hye n GLY 461 N -0.27 -1.26 3.52 0.00 0.00 -0.97 -4.74 105.19 101.47 2hye n GLY 461 Ca 0.00 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 2hye n GLY 461 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hye s ASN 462 N -2.89 6.35 0.16 1.61 -0.87 -1.26 -1.22 114.94 116.81 2hye s ASN 462 Ca 0.00 -0.35 0.00 0.00 -1.57 0.00 0.00 52.86 50.94 2hye s ASN 462 Cb 0.00 -2.37 0.00 0.00 -0.02 0.00 0.00 41.25 38.86 2hye s ASN 462 CO 0.00 -0.98 0.00 1.33 -2.57 0.00 0.00 177.10 174.88 2hye n VAL 463 N 6.03 0.00 -1.82 1.60 0.24 0.67 -4.39 118.33 120.66 2hye n VAL 463 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.98 2hye n VAL 463 Cb 0.47 -1.31 0.03 0.00 -1.47 0.00 0.00 33.84 31.56 2hye n VAL 463 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hye s ALA 464 N -2.63 2.69 -0.98 2.33 0.00 0.85 -3.98 121.76 120.04 2hye s ALA 464 Ca 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 2hye s ALA 464 Cb 0.00 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 2hye s ALA 464 CO 0.00 -1.03 0.83 0.72 0.00 0.00 0.00 175.76 176.28 2hye n HIS 465 N -2.54 -1.94 -4.07 0.00 8.25 -1.26 -3.56 115.22 110.10 2hye n HIS 465 Ca 0.08 0.78 -0.30 0.00 -0.26 0.00 0.00 57.72 58.03 2hye n HIS 465 Cb 0.53 -4.39 -0.04 0.00 1.12 0.00 0.00 29.99 27.21 2hye n HIS 465 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2hye n GLN 466 N -3.44 -2.05 -4.14 -0.41 3.00 -1.26 -4.94 117.38 104.14 2hye n GLN 466 Ca -0.19 0.27 -0.15 0.00 -0.01 0.00 0.00 57.00 56.92 2hye n GLN 466 Cb 0.63 -3.99 -0.12 0.00 0.00 0.00 0.00 30.24 26.75 2hye n GLN 466 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2hye s GLN 467 N -6.88 0.60 0.03 -1.09 -0.21 -1.23 -2.56 119.66 108.32 2hye s GLN 467 Ca 0.08 -0.66 0.00 0.00 0.02 0.00 0.00 55.36 54.80 2hye s GLN 467 Cb -0.04 -0.47 -0.04 0.00 1.00 0.00 0.00 33.01 33.47 2hye s GLN 467 CO 0.93 0.10 0.10 -0.51 -2.12 0.00 0.00 175.29 173.80 2hye s LEU 468 N -1.23 3.95 -0.04 2.90 1.02 -0.47 -0.24 118.68 124.58 2hye s LEU 468 Ca -0.05 0.13 0.03 0.00 0.02 0.00 0.00 54.13 54.26 2hye s LEU 468 Cb -0.08 -2.43 0.01 0.00 0.02 0.00 0.00 46.19 43.71 2hye s LEU 468 CO 0.01 0.23 -0.11 -0.51 0.02 0.00 0.00 176.35 175.99 2hye s ILE 469 N -1.29 0.98 -0.25 -0.59 -1.16 -0.36 -0.34 121.20 118.19 2hye s ILE 469 Ca 0.26 -0.44 0.01 0.00 -0.51 0.00 0.00 60.65 59.98 2hye s ILE 469 Cb -0.12 -0.88 0.07 0.00 0.61 0.00 0.00 42.46 42.14 2hye s ILE 469 CO 0.18 0.30 -0.03 -1.58 -2.81 0.00 0.00 174.94 171.00 2hye s GLN 470 N 0.36 1.53 -0.16 3.50 0.74 0.35 -2.29 119.66 123.70 2hye s GLN 470 Ca -0.07 -1.07 -0.13 0.00 0.05 0.00 0.00 55.36 54.13 2hye s GLN 470 Cb -0.12 -2.59 -0.05 0.00 1.10 0.00 0.00 33.01 31.35 2hye s GLN 470 CO 0.02 -0.66 0.27 0.42 -0.55 0.00 0.00 175.29 174.79 2hye s ILE 471 N 1.37 5.31 0.00 -2.34 1.01 -1.14 -0.41 121.20 125.01 2hye s ILE 471 Ca -0.03 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.13 2hye s ILE 471 Cb -0.19 -3.61 0.00 0.00 0.01 0.00 0.00 42.46 38.67 2hye s ILE 471 CO -0.08 0.41 0.00 0.35 0.00 0.00 0.00 174.94 175.62 2hye n THR 472 N 3.47 0.00 0.01 2.92 -2.24 -0.79 -0.74 114.28 116.91 2hye n THR 472 Ca -0.13 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.64 2hye n THR 472 Cb 0.52 0.00 0.26 0.00 -2.10 0.00 0.00 70.33 69.01 2hye n THR 472 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2hye h SER 473 N 0.00 0.48 0.16 3.42 4.64 -1.85 -3.29 113.55 117.11 2hye h SER 473 Ca 0.00 -0.12 -0.22 0.00 -0.47 0.00 0.00 61.79 60.98 2hye h SER 473 Cb 0.00 -0.13 0.02 0.00 -0.31 0.00 0.00 62.40 61.99 2hye h SER 473 CO 0.00 0.63 -0.97 0.00 -0.87 0.00 0.00 176.83 175.62 2hye h ALA 474 N 1.43 -0.09 -1.83 5.18 0.00 -1.91 -0.98 119.26 121.06 2hye h ALA 474 Ca 0.09 -0.75 0.22 0.00 0.00 0.00 0.00 54.91 54.47 2hye h ALA 474 Cb 0.47 0.14 -0.15 0.00 0.00 0.00 0.00 17.79 18.25 2hye h ALA 474 CO 0.03 0.46 0.68 -1.54 0.00 0.00 0.00 179.25 178.87 2hye s SER 475 N -7.09 -0.19 0.15 0.00 1.04 -1.24 -4.66 113.70 101.72 2hye s SER 475 Ca -0.13 -0.09 -0.11 0.00 0.48 0.00 0.00 55.95 56.09 2hye s SER 475 Cb 0.02 0.27 -0.07 0.00 0.10 0.00 0.00 66.02 66.34 2hye s SER 475 CO 0.85 -0.46 0.49 0.54 0.98 0.00 0.00 173.24 175.64 2hye s VAL 476 N -2.75 4.97 -0.03 5.02 0.11 -1.26 -1.88 120.40 124.58 2hye s VAL 476 Ca 0.10 0.57 0.01 0.00 -2.93 0.00 0.00 61.98 59.73 2hye s VAL 476 Cb 0.00 -3.67 0.02 0.00 -1.53 0.00 0.00 36.38 31.20 2hye s VAL 476 CO -0.05 0.17 -0.02 -0.13 -3.33 0.00 0.00 175.10 171.74 2hye s ARG 477 N -2.20 0.52 -0.01 1.54 0.52 0.45 -2.58 118.95 117.18 2hye s ARG 477 Ca 0.39 -0.02 -0.06 0.00 -0.52 0.00 0.00 55.73 55.52 2hye s ARG 477 Cb -0.14 -0.61 -0.05 0.00 0.52 0.00 0.00 34.95 34.68 2hye s ARG 477 CO 0.20 -0.09 0.24 -1.17 0.02 0.00 0.00 175.30 174.49 2hye s LEU 478 N 0.87 4.38 0.10 2.53 2.96 0.28 -0.49 118.68 129.30 2hye s LEU 478 Ca -0.10 0.52 -0.00 0.00 -0.22 0.00 0.00 54.13 54.32 2hye s LEU 478 Cb -0.13 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 2hye s LEU 478 CO -0.01 0.28 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.61 2hye s VAL 479 N -1.26 0.28 0.10 1.68 1.01 0.54 -1.52 120.40 121.23 2hye s VAL 479 Ca 0.25 -1.88 0.04 0.00 0.00 0.00 0.00 61.98 60.40 2hye s VAL 479 Cb -0.13 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 2hye s VAL 479 CO 0.15 -0.74 0.04 -0.94 0.00 0.00 0.00 175.10 173.61 2hye s SER 480 N -3.01 5.24 0.00 3.32 1.04 -0.79 -1.37 113.70 118.14 2hye s SER 480 Ca 0.15 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.46 2hye s SER 480 Cb 0.07 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 64.88 2hye s SER 480 CO -0.04 0.16 0.00 0.00 0.98 0.00 0.00 173.24 174.34 2hye n GLN 481 N 0.39 0.00 -0.33 4.02 1.13 -1.06 -2.55 117.38 118.99 2hye n GLN 481 Ca -0.10 0.00 0.27 0.00 -1.94 0.00 0.00 57.00 55.24 2hye n GLN 481 Cb 0.52 -0.03 0.52 0.00 0.11 0.00 0.00 30.24 31.36 2hye n GLN 481 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2hye h GLU 482 N 0.00 0.13 0.07 -1.09 3.07 -1.86 0.45 114.58 115.36 2hye h GLU 482 Ca 0.00 -0.01 -0.29 0.00 -0.50 0.00 0.00 59.36 58.56 2hye h GLU 482 Cb 0.00 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.86 2hye h GLU 482 CO 0.00 0.09 -1.48 -1.35 -1.40 0.00 0.00 179.01 174.87 2hye h PRO 483 N 0.14 0.16 -5.75 2.33 0.11 -1.98 -3.49 132.00 123.52 2hye h PRO 483 Ca 0.78 -0.27 -0.17 0.00 0.11 0.00 0.00 66.00 66.45 2hye h PRO 483 Cb 1.93 0.10 0.03 0.00 0.11 0.00 0.00 31.00 33.17 2hye h PRO 483 CO -0.71 0.98 -0.41 1.17 -0.21 0.00 0.00 178.00 178.83 2hye n LYS 484 N -3.36 -1.45 -3.79 1.05 3.00 0.16 -5.04 118.16 108.73 2hye n LYS 484 Ca -0.14 1.18 -0.10 0.00 -0.00 0.00 0.00 58.31 59.25 2hye n LYS 484 Cb 1.03 -4.90 -0.05 0.00 0.00 0.00 0.00 35.03 31.12 2hye n LYS 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2hye s ALA 485 N -3.08 -0.70 0.03 3.14 0.00 -1.24 -4.47 121.76 115.42 2hye s ALA 485 Ca 0.09 -0.38 -0.30 0.00 0.00 0.00 0.00 51.96 51.37 2hye s ALA 485 Cb -0.02 0.85 -0.08 0.00 0.00 0.00 0.00 23.12 23.86 2hye s ALA 485 CO 0.79 -0.76 1.79 -1.17 0.00 0.00 0.00 175.76 176.41 2hye s LEU 486 N -2.89 4.38 -0.01 0.00 2.96 -1.26 -1.88 118.68 119.99 2hye s LEU 486 Ca 0.11 2.52 0.01 0.00 -0.22 0.00 0.00 54.13 56.55 2hye s LEU 486 Cb 0.00 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.16 2hye s LEU 486 CO -0.02 -0.98 0.93 1.33 -1.32 0.00 0.00 176.35 176.29 2hye n VAL 487 N 5.24 0.88 0.00 1.68 0.24 -0.58 -4.96 118.33 120.83 2hye n VAL 487 Ca 0.18 -0.89 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 2hye n VAL 487 Cb 0.41 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 2hye n VAL 487 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2hye n SER 488 N -0.46 0.00 -3.32 -1.34 2.88 -1.22 -4.19 113.62 105.97 2hye n SER 488 Ca 0.01 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.46 2hye n SER 488 Cb 0.31 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.70 2hye n SER 488 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2hye s GLU 489 N -1.07 0.39 1.22 -1.46 2.12 -1.26 0.10 118.70 118.74 2hye s GLU 489 Ca 0.00 0.32 -0.20 0.00 0.36 0.00 0.00 54.97 55.45 2hye s GLU 489 Cb 0.00 -0.35 0.31 0.00 0.26 0.00 0.00 34.13 34.35 2hye s GLU 489 CO 0.00 -0.86 0.92 1.87 -0.54 0.00 0.00 175.26 176.65 2hye n TRP 490 N 5.36 -3.76 -3.64 5.30 -0.00 -1.07 -4.93 117.44 114.70 2hye n TRP 490 Ca -0.01 -0.85 -0.02 0.00 -0.00 0.00 0.00 57.50 56.62 2hye n TRP 490 Cb 0.50 -1.08 -0.04 0.00 -0.00 0.00 0.00 31.31 30.69 2hye n TRP 490 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 2hye s LYS 491 N -5.13 0.05 -0.20 5.87 2.20 -1.26 -4.03 119.74 117.24 2hye s LYS 491 Ca 0.64 0.00 -0.29 0.00 -0.36 0.00 0.00 55.97 55.96 2hye s LYS 491 Cb -0.08 0.02 -0.01 0.00 -1.51 0.00 0.00 37.83 36.26 2hye s LYS 491 CO 0.51 -0.02 1.23 -2.00 -0.36 0.00 0.00 175.35 174.71 2hye s GLU 492 N -1.24 4.19 0.14 4.03 -6.30 -1.26 -4.89 118.70 113.37 2hye s GLU 492 Ca 0.10 1.54 0.05 0.00 -2.50 0.00 0.00 54.97 54.16 2hye s GLU 492 Cb -0.01 -3.76 0.45 0.00 0.00 0.00 0.00 34.13 30.81 2hye s GLU 492 CO -0.07 -0.76 0.64 -2.30 0.02 0.00 0.00 175.26 172.79 2hye n PRO 493 N 6.67 -0.03 -1.11 4.30 -0.02 -1.26 -0.64 135.00 142.90 2hye n PRO 493 Ca 0.14 0.58 -0.13 0.00 -2.02 0.00 0.00 63.50 62.06 2hye n PRO 493 Cb 0.45 -0.99 0.16 0.00 -0.02 0.00 0.00 33.50 33.10 2hye n PRO 493 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2hye n GLN 494 N -4.11 2.25 -1.00 -0.52 3.00 -1.26 -4.93 117.38 110.81 2hye n GLN 494 Ca 0.13 -3.34 0.00 0.00 -0.01 0.00 0.00 57.00 53.78 2hye n GLN 494 Cb 0.44 -1.99 0.00 0.00 0.00 0.00 0.00 30.24 28.69 2hye n GLN 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2hye n ALA 495 N -1.04 0.00 -1.17 -1.58 0.00 0.18 -4.98 120.51 111.93 2hye n ALA 495 Ca 0.42 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.54 2hye n ALA 495 Cb 1.05 -0.90 0.10 0.00 0.00 0.00 0.00 19.45 19.70 2hye n ALA 495 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2hye s LYS 496 N -1.20 2.04 0.18 0.00 1.02 -1.26 -5.00 119.74 115.51 2hye s LYS 496 Ca 0.00 1.30 0.03 0.00 0.02 0.00 0.00 55.97 57.32 2hye s LYS 496 Cb 0.00 -1.86 -0.03 0.00 -0.52 0.00 0.00 37.83 35.41 2hye s LYS 496 CO 0.00 -1.83 0.32 -0.80 -0.92 0.00 0.00 175.35 172.12 2hye s ASN 497 N -3.09 6.34 0.19 2.83 -0.87 -1.26 -4.47 114.94 114.60 2hye s ASN 497 Ca 0.64 0.18 -0.30 0.00 -1.57 0.00 0.00 52.86 51.81 2hye s ASN 497 Cb -0.19 -1.91 -0.08 0.00 -0.02 0.00 0.00 41.25 39.05 2hye s ASN 497 CO 0.54 0.00 1.14 -0.63 -2.57 0.00 0.00 177.10 175.59 2hye s ILE 498 N -1.82 3.70 -0.26 0.60 1.09 -0.37 -4.71 121.20 119.42 2hye s ILE 498 Ca 0.35 1.47 -0.14 0.00 -1.10 0.00 0.00 60.65 61.23 2hye s ILE 498 Cb -0.11 -3.94 -0.11 0.00 -1.06 0.00 0.00 42.46 37.24 2hye s ILE 498 CO 0.29 0.25 -0.36 -1.20 -0.10 0.00 0.00 174.94 173.83 2hye n SER 499 N 2.32 1.94 -4.19 3.58 7.64 -0.58 -4.74 113.62 119.59 2hye n SER 499 Ca 0.03 0.34 -0.21 0.00 1.01 0.00 0.00 58.87 60.03 2hye n SER 499 Cb 0.45 -0.80 -0.13 0.00 -1.01 0.00 0.00 64.21 62.72 2hye n SER 499 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2hye s VAL 500 N -2.55 1.30 -0.12 0.44 1.01 -1.23 -5.00 120.40 114.24 2hye s VAL 500 Ca -0.37 -1.18 -0.10 0.00 0.00 0.00 0.00 61.98 60.33 2hye s VAL 500 Cb 0.14 -1.18 0.04 0.00 0.00 0.00 0.00 36.38 35.37 2hye s VAL 500 CO 0.48 -0.02 0.32 0.00 0.00 0.00 0.00 175.10 175.88 2hye s ALA 501 N -0.98 -0.78 0.54 5.51 0.00 -1.26 0.01 121.76 124.80 2hye s ALA 501 Ca 0.03 1.00 0.02 0.00 0.00 0.00 0.00 51.96 53.01 2hye s ALA 501 Cb -0.09 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.46 2hye s ALA 501 CO 0.02 -0.17 0.18 0.45 0.00 0.00 0.00 175.76 176.24 2hye n SER 502 N 3.35 3.16 0.00 0.00 2.88 0.14 -4.87 113.62 118.28 2hye n SER 502 Ca -0.17 -3.13 0.00 0.00 -1.33 0.00 0.00 58.87 54.24 2hye n SER 502 Cb 0.57 0.19 0.00 0.00 -0.75 0.00 0.00 64.21 64.21 2hye n SER 502 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hye s ASN 504 N 0.00 -0.00 0.08 0.00 2.20 -0.78 -4.80 114.94 111.64 2hye s ASN 504 Ca 0.00 -0.01 -0.13 0.00 -0.94 0.00 0.00 52.86 51.79 2hye s ASN 504 Cb 0.00 0.01 -0.01 0.00 -2.00 0.00 0.00 41.25 39.24 2hye s ASN 504 CO 0.00 -0.01 0.69 -1.54 -2.94 0.00 0.00 177.10 173.30 2hye n SER 505 N -0.60 -0.45 -0.10 3.54 3.41 -1.26 -3.23 113.62 114.94 2hye n SER 505 Ca -0.07 0.79 -0.19 0.00 -0.26 0.00 0.00 58.87 59.14 2hye n SER 505 Cb 0.63 -0.11 -0.12 0.00 -0.26 0.00 0.00 64.21 64.34 2hye n SER 505 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2hye n SER 506 N -4.57 2.01 -4.85 4.04 3.41 -1.26 -0.10 113.62 112.29 2hye n SER 506 Ca 0.01 -0.04 -0.21 0.00 -0.26 0.00 0.00 58.87 58.38 2hye n SER 506 Cb 0.12 -0.54 -0.04 0.00 -0.26 0.00 0.00 64.21 63.50 2hye n SER 506 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2hye s GLN 507 N -2.53 2.58 -0.15 4.33 -0.21 -1.20 -2.03 119.66 120.45 2hye s GLN 507 Ca -0.32 -1.46 -0.11 0.00 0.02 0.00 0.00 55.36 53.49 2hye s GLN 507 Cb 0.09 -2.39 0.05 0.00 1.00 0.00 0.00 33.01 31.76 2hye s GLN 507 CO 0.64 -0.07 0.38 0.08 -2.12 0.00 0.00 175.29 174.20 2hye s VAL 508 N -2.42 -0.02 -0.04 1.09 1.01 -0.48 -1.87 120.40 117.68 2hye s VAL 508 Ca 0.45 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.50 2hye s VAL 508 Cb -0.04 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.80 2hye s VAL 508 CO 0.27 0.02 -0.05 -0.69 0.00 0.00 0.00 175.10 174.65 2hye s VAL 509 N 0.89 0.55 0.11 2.92 1.01 -1.23 -0.22 120.40 124.43 2hye s VAL 509 Ca -0.06 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.79 2hye s VAL 509 Cb -0.06 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 2hye s VAL 509 CO -0.07 0.21 -0.08 0.68 0.00 0.00 0.00 175.10 175.84 2hye s VAL 510 N 0.68 0.88 0.19 2.92 -7.23 -0.77 0.25 120.40 117.32 2hye s VAL 510 Ca -0.09 -1.92 0.10 0.00 -1.81 0.00 0.00 61.98 58.26 2hye s VAL 510 Cb -0.12 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 2hye s VAL 510 CO 0.00 -0.78 -0.21 0.00 -0.31 0.00 0.00 175.10 173.80 2hye s ALA 511 N -3.32 2.32 -0.28 1.32 0.00 0.10 -1.38 121.76 120.52 2hye s ALA 511 Ca 0.12 -1.60 -0.04 0.00 0.00 0.00 0.00 51.96 50.44 2hye s ALA 511 Cb 0.03 -0.25 0.10 0.00 0.00 0.00 0.00 23.12 22.99 2hye s ALA 511 CO -0.02 0.32 0.12 0.08 0.00 0.00 0.00 175.76 176.26 2hye s VAL 512 N -1.95 -0.04 0.00 0.00 1.01 0.60 -1.52 120.40 118.50 2hye s VAL 512 Ca 0.20 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.45 2hye s VAL 512 Cb -0.06 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.35 2hye s VAL 512 CO 0.09 -0.68 0.00 0.61 0.00 0.00 0.00 175.10 175.11 2hye n GLY 513 N 5.24 3.97 0.12 4.51 0.00 -1.26 0.12 105.19 117.88 2hye n GLY 513 Ca -0.06 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2hye n GLY 513 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2hye h ARG 514 N 0.00 0.00 -6.52 1.61 3.08 -1.88 -3.14 114.38 107.52 2hye h ARG 514 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 2hye h ARG 514 Cb 0.00 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.09 2hye h ARG 514 CO 0.00 0.49 1.10 0.00 -1.07 0.00 0.00 179.97 180.49 2hye n ALA 515 N -2.30 2.25 -3.77 0.04 0.00 0.33 -2.40 120.51 114.67 2hye n ALA 515 Ca -0.02 0.33 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 2hye n ALA 515 Cb 0.79 -2.58 -0.15 0.00 0.00 0.00 0.00 19.45 17.52 2hye n ALA 515 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2hye s LEU 516 N 2.53 2.70 0.36 0.00 2.96 0.15 0.22 118.68 127.61 2hye s LEU 516 Ca 0.81 -1.94 -0.05 0.00 -0.22 0.00 0.00 54.13 52.74 2hye s LEU 516 Cb -0.49 -1.01 -0.05 0.00 0.50 0.00 0.00 46.19 45.14 2hye s LEU 516 CO 0.37 -0.38 0.65 -0.31 -1.32 0.00 0.00 176.35 175.36 2hye s TYR 517 N 1.23 3.50 -0.06 5.38 1.51 -0.48 -2.26 117.35 126.17 2hye s TYR 517 Ca 0.12 0.70 0.02 0.00 -1.01 0.00 0.00 57.07 56.90 2hye s TYR 517 Cb -0.19 -2.17 0.01 0.00 -0.11 0.00 0.00 41.96 39.50 2hye s TYR 517 CO -0.17 0.01 -0.12 -0.47 -1.11 0.00 0.00 175.55 173.69 2hye s TYR 518 N -2.33 1.38 0.05 2.71 6.04 -0.46 -1.84 117.35 122.89 2hye s TYR 518 Ca 0.45 -0.48 0.07 0.00 0.04 0.00 0.00 57.07 57.15 2hye s TYR 518 Cb -0.10 -1.01 -0.03 0.00 -1.04 0.00 0.00 41.96 39.78 2hye s TYR 518 CO 0.35 -0.24 -0.19 -0.51 -1.54 0.00 0.00 175.55 173.42 2hye s LEU 519 N 0.56 2.18 0.11 6.97 1.43 0.70 -2.54 118.68 128.08 2hye s LEU 519 Ca -0.12 -0.52 0.05 0.00 -1.03 0.00 0.00 54.13 52.51 2hye s LEU 519 Cb -0.14 -0.87 -0.04 0.00 0.03 0.00 0.00 46.19 45.16 2hye s LEU 519 CO 0.03 0.12 0.01 -1.10 0.23 0.00 0.00 176.35 175.64 2hye s GLN 520 N -1.23 2.55 -0.20 1.70 -0.21 0.77 -1.39 119.66 121.64 2hye s GLN 520 Ca 0.06 -0.88 -0.07 0.00 0.02 0.00 0.00 55.36 54.49 2hye s GLN 520 Cb -0.09 -2.52 -0.03 0.00 1.00 0.00 0.00 33.01 31.37 2hye s GLN 520 CO 0.02 0.52 0.05 0.42 -2.12 0.00 0.00 175.29 174.18 2hye s ILE 521 N -1.40 4.43 0.22 1.08 1.01 -0.86 -2.15 121.20 123.52 2hye s ILE 521 Ca 0.26 -0.15 0.03 0.00 0.00 0.00 0.00 60.65 60.80 2hye s ILE 521 Cb -0.11 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 2hye s ILE 521 CO 0.19 0.42 0.12 1.41 0.00 0.00 0.00 174.94 177.07 2hye n HIS 522 N 4.07 -0.14 -0.09 3.97 8.25 -0.98 -4.91 115.22 125.39 2hye n HIS 522 Ca -0.17 -1.60 -0.02 0.00 -0.26 0.00 0.00 57.72 55.67 2hye n HIS 522 Cb 0.52 0.07 -0.02 0.00 1.12 0.00 0.00 29.99 31.67 2hye n HIS 522 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2hye n PRO 523 N -0.48 -0.10 -1.79 -0.41 -0.02 -1.26 -3.03 135.00 127.92 2hye n PRO 523 Ca -0.00 0.84 -0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2hye n PRO 523 Cb 0.36 -1.25 0.06 0.00 -0.02 0.00 0.00 33.50 32.66 2hye n PRO 523 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2hye n GLN 524 N -3.40 1.21 -3.71 -0.52 3.00 -1.26 -5.02 117.38 107.68 2hye n GLN 524 Ca 0.00 -2.93 -0.13 0.00 -0.01 0.00 0.00 57.00 53.93 2hye n GLN 524 Cb 0.06 -1.02 -0.08 0.00 0.00 0.00 0.00 30.24 29.20 2hye n GLN 524 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2hye s GLU 525 N -2.10 0.80 -0.63 -1.09 -1.05 -1.17 -4.40 118.70 109.06 2hye s GLU 525 Ca 0.35 -0.24 -0.04 0.00 -0.15 0.00 0.00 54.97 54.89 2hye s GLU 525 Cb 0.37 0.36 0.16 0.00 -0.44 0.00 0.00 34.13 34.58 2hye s GLU 525 CO -0.09 -0.25 0.46 -0.51 0.95 0.00 0.00 175.26 175.82 2hye s LEU 526 N -1.61 5.35 0.02 1.83 1.43 -1.26 -2.32 118.68 122.12 2hye s LEU 526 Ca -0.10 -2.82 -0.30 0.00 -1.03 0.00 0.00 54.13 49.88 2hye s LEU 526 Cb -0.03 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 2hye s LEU 526 CO 0.02 -0.39 1.10 -0.60 0.23 0.00 0.00 176.35 176.71 2hye s ARG 527 N -0.01 4.47 -1.27 1.70 3.52 -0.92 -4.87 118.95 121.58 2hye s ARG 527 Ca 0.17 1.60 -0.08 0.00 -0.13 0.00 0.00 55.73 57.29 2hye s ARG 527 Cb -0.20 -3.42 0.17 0.00 -1.56 0.00 0.00 34.95 29.94 2hye s ARG 527 CO -0.04 -0.20 1.94 0.94 -0.81 0.00 0.00 175.30 177.13 2hye n GLN 528 N 4.09 3.87 -0.31 5.12 7.27 -1.26 -0.16 117.38 136.00 2hye n GLN 528 Ca 0.08 -3.60 0.27 0.00 0.07 0.00 0.00 57.00 53.82 2hye n GLN 528 Cb 0.48 -2.84 0.50 0.00 2.41 0.00 0.00 30.24 30.79 2hye n GLN 528 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 2hye n ILE 529 N 2.87 -0.40 -3.82 1.69 2.08 -1.05 -4.81 119.36 115.92 2hye n ILE 529 Ca 0.43 1.95 -0.06 0.00 0.56 0.00 0.00 62.75 65.63 2hye n ILE 529 Cb 0.34 -3.10 0.00 0.00 -0.75 0.00 0.00 39.64 36.13 2hye n ILE 529 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 2hye s SER 530 N -4.65 -0.12 -0.01 4.38 0.15 -1.16 -5.03 113.70 107.27 2hye s SER 530 Ca -0.09 -0.70 -0.23 0.00 0.70 0.00 0.00 55.95 55.63 2hye s SER 530 Cb 0.31 0.65 0.05 0.00 -1.71 0.00 0.00 66.02 65.32 2hye s SER 530 CO 0.74 -1.24 0.51 -2.28 1.20 0.00 0.00 173.24 172.16 2hye s HIS 531 N -3.00 -0.43 0.20 3.44 5.65 -1.26 -1.36 115.29 118.53 2hye s HIS 531 Ca 0.14 0.63 -0.23 0.00 0.25 0.00 0.00 55.06 55.86 2hye s HIS 531 Cb -0.04 0.29 0.05 0.00 -1.18 0.00 0.00 32.58 31.70 2hye s HIS 531 CO 0.06 -0.55 0.79 0.99 -0.65 0.00 0.00 174.74 175.38 2hye s THR 532 N -1.68 0.00 -0.05 0.89 2.01 -0.96 -5.00 115.64 110.84 2hye s THR 532 Ca -0.10 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.24 2hye s THR 532 Cb -0.02 -1.80 0.00 0.00 0.01 0.00 0.00 72.50 70.70 2hye s THR 532 CO 0.04 0.00 -0.14 -1.61 -0.69 0.00 0.00 174.62 172.22 2hye s GLU 533 N -3.64 1.61 0.38 4.92 2.02 -1.26 0.34 118.70 123.07 2hye s GLU 533 Ca 0.10 -0.47 -0.02 0.00 0.02 0.00 0.00 54.97 54.59 2hye s GLU 533 Cb -0.04 -1.38 -0.04 0.00 0.10 0.00 0.00 34.13 32.78 2hye s GLU 533 CO 0.02 0.13 0.62 -1.64 0.02 0.00 0.00 175.26 174.41 2hye s MET 534 N 0.33 3.52 0.29 1.61 -1.94 -1.01 -5.00 119.30 117.10 2hye s MET 534 Ca -0.08 -0.13 -0.02 0.00 -1.71 0.00 0.00 55.69 53.74 2hye s MET 534 Cb -0.13 -2.57 0.41 0.00 2.01 0.00 0.00 34.83 34.55 2hye s MET 534 CO 0.03 0.04 1.93 1.49 -0.01 0.00 0.00 175.02 178.50 2hye h GLU 535 N 0.68 1.07 -5.45 2.03 4.81 -2.01 -3.45 114.58 112.26 2hye h GLU 535 Ca -0.49 -0.09 -0.55 0.00 -0.13 0.00 0.00 59.36 58.10 2hye h GLU 535 Cb 1.21 -0.23 -0.13 0.00 0.63 0.00 0.00 28.75 30.23 2hye h GLU 535 CO 0.62 0.75 -0.61 -1.01 -0.73 0.00 0.00 179.01 178.03 2hye s HIS 536 N -5.80 2.22 0.64 0.92 3.76 -1.26 -5.07 115.29 110.71 2hye s HIS 536 Ca -0.11 -0.80 -0.18 0.00 -0.15 0.00 0.00 55.06 53.82 2hye s HIS 536 Cb 0.17 -1.50 -0.01 0.00 1.11 0.00 0.00 32.58 32.36 2hye s HIS 536 CO 0.80 0.23 1.24 -1.21 -0.85 0.00 0.00 174.74 174.96 2hye s GLU 537 N -3.79 2.63 0.29 1.40 2.02 -1.26 -4.67 118.70 115.31 2hye s GLU 537 Ca 0.35 1.91 -0.09 0.00 0.02 0.00 0.00 54.97 57.17 2hye s GLU 537 Cb 0.09 -1.87 -0.07 0.00 0.10 0.00 0.00 34.13 32.38 2hye s GLU 537 CO 0.16 -1.50 0.60 0.08 0.02 0.00 0.00 175.26 174.63 2hye s VAL 538 N -1.59 4.91 0.00 2.63 1.01 -1.19 -0.79 120.40 125.39 2hye s VAL 538 Ca 0.79 0.41 0.00 0.00 0.00 0.00 0.00 61.98 63.18 2hye s VAL 538 Cb -0.33 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.38 2hye s VAL 538 CO 0.38 -0.24 0.02 0.00 0.00 0.00 0.00 175.10 175.26 2hye n ALA 539 N -0.61 0.72 -3.59 5.51 0.00 -0.01 -4.80 120.51 117.73 2hye n ALA 539 Ca 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 2hye n ALA 539 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 2hye n ALA 539 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hye s LEU 541 N -1.09 1.81 -0.30 0.00 1.43 -1.26 -2.45 118.68 116.81 2hye s LEU 541 Ca 0.00 -0.65 -0.10 0.00 -1.03 0.00 0.00 54.13 52.36 2hye s LEU 541 Cb -0.01 0.67 0.15 0.00 0.03 0.00 0.00 46.19 47.03 2hye s LEU 541 CO -0.00 -0.59 0.72 -0.62 0.23 0.00 0.00 176.35 176.09 2hye s ASP 542 N -2.49 -1.05 -0.27 2.29 -1.08 -1.19 -4.76 116.67 108.13 2hye s ASP 542 Ca 0.00 1.28 0.10 0.00 -0.52 0.00 0.00 52.55 53.41 2hye s ASP 542 Cb 0.02 2.13 0.49 0.00 -1.46 0.00 0.00 42.92 44.11 2hye s ASP 542 CO -0.07 -0.20 1.42 2.30 0.52 0.00 0.00 175.17 179.13 2hye n ILE 543 N 5.36 2.47 -1.65 4.11 -5.35 -1.26 -1.73 119.36 121.30 2hye n ILE 543 Ca -0.10 -2.77 -0.50 0.00 -0.27 0.00 0.00 62.75 59.11 2hye n ILE 543 Cb 0.50 -0.30 -0.05 0.00 -1.74 0.00 0.00 39.64 38.05 2hye n ILE 543 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 2hye n THR 544 N -1.10 0.11 -2.08 7.28 -1.04 -1.26 -4.62 114.28 111.56 2hye n THR 544 Ca 0.30 -0.02 -0.32 0.00 -2.04 0.00 0.00 64.05 61.97 2hye n THR 544 Cb 0.96 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 2hye n THR 544 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2hye s PRO 545 N 1.45 3.49 0.00 -2.82 0.04 -1.26 -4.87 135.00 131.03 2hye s PRO 545 Ca 0.85 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2hye s PRO 545 Cb -0.83 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 31.65 2hye s PRO 545 CO 0.46 -0.66 0.00 1.28 0.04 0.00 0.00 177.00 178.12 2hye n LEU 546 N -2.08 0.00 0.00 -3.56 4.77 -1.26 -4.99 117.00 109.88 2hye n LEU 546 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2hye n LEU 546 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 2hye n LEU 546 CO 0.49 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2hye n GLY 547 N 2.50 0.32 0.00 -0.72 0.00 -1.26 -2.78 105.19 103.25 2hye n GLY 547 Ca 0.00 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.47 2hye n GLY 547 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2hye n ASP 548 N -3.92 0.00 -3.54 1.61 3.85 -1.26 -4.85 116.55 108.43 2hye n ASP 548 Ca 0.00 0.23 -0.32 0.00 -0.71 0.00 0.00 54.79 53.99 2hye n ASP 548 Cb 0.00 -0.35 0.04 0.00 -1.35 0.00 0.00 41.12 39.46 2hye n ASP 548 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.20 175.95 2hye n SER 549 N -1.35 -5.36 -4.02 -1.12 2.88 -1.12 -4.90 113.62 98.64 2hye n SER 549 Ca 0.05 0.16 -0.36 0.00 -1.33 0.00 0.00 58.87 57.39 2hye n SER 549 Cb 0.10 -0.67 -0.06 0.00 -0.75 0.00 0.00 64.21 62.83 2hye n SER 549 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2hye n ASN 550 N 3.10 4.38 0.00 -3.46 2.85 -1.26 -4.83 115.26 116.04 2hye n ASN 550 Ca -0.02 -3.20 0.00 0.00 -0.11 0.00 0.00 54.58 51.26 2hye n ASN 550 Cb 0.50 -1.03 0.00 0.00 1.24 0.00 0.00 39.78 40.48 2hye n ASN 550 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2hye n GLY 551 N 2.03 0.21 3.51 8.20 0.00 -1.26 -4.91 105.19 112.98 2hye n GLY 551 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 2hye n GLY 551 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hye s LEU 552 N 0.00 4.02 -0.04 0.99 1.02 -1.26 -4.39 118.68 119.02 2hye s LEU 552 Ca 0.00 -0.25 -0.23 0.00 0.02 0.00 0.00 54.13 53.67 2hye s LEU 552 Cb 0.00 -2.06 -0.04 0.00 0.02 0.00 0.00 46.19 44.11 2hye s LEU 552 CO 0.00 -0.12 0.69 -0.55 0.02 0.00 0.00 176.35 176.39 2hye s SER 553 N 1.69 7.02 0.24 2.29 0.15 -1.26 -4.83 113.70 118.99 2hye s SER 553 Ca 0.06 1.22 0.24 0.00 0.70 0.00 0.00 55.95 58.17 2hye s SER 553 Cb -0.16 -2.41 0.37 0.00 -1.71 0.00 0.00 66.02 62.11 2hye s SER 553 CO 0.08 -0.06 1.44 -0.65 1.20 0.00 0.00 173.24 175.25 2hye h PRO 554 N 6.42 0.00 -6.16 5.44 0.11 -1.94 -3.45 132.00 132.43 2hye h PRO 554 Ca -0.42 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.14 2hye h PRO 554 Cb 1.20 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 2hye h PRO 554 CO 0.74 0.00 -0.59 -0.51 -0.21 0.00 0.00 178.00 177.43 2hye s LEU 555 N -5.05 3.28 -0.23 2.35 1.43 -1.26 0.60 118.68 119.79 2hye s LEU 555 Ca 0.06 -0.66 -0.04 0.00 -1.03 0.00 0.00 54.13 52.46 2hye s LEU 555 Cb 0.10 -1.78 0.09 0.00 0.03 0.00 0.00 46.19 44.63 2hye s LEU 555 CO 0.70 -0.12 0.16 0.00 0.23 0.00 0.00 176.35 177.32 2hye s ALA 557 N 2.20 2.18 -0.20 0.00 0.00 -0.71 -1.56 121.76 123.68 2hye s ALA 557 Ca 0.06 0.24 -0.31 0.00 0.00 0.00 0.00 51.96 51.96 2hye s ALA 557 Cb -0.16 -3.27 0.15 0.00 0.00 0.00 0.00 23.12 19.84 2hye s ALA 557 CO -0.22 -1.83 1.16 -1.50 0.00 0.00 0.00 175.76 173.36 2hye s ILE 558 N -2.90 0.00 -0.05 0.00 2.07 -0.82 -3.15 121.20 116.35 2hye s ILE 558 Ca 0.61 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.84 2hye s ILE 558 Cb -0.17 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.45 2hye s ILE 558 CO 0.56 0.00 0.09 -0.83 -1.91 0.00 0.00 174.94 172.85 2hye s GLY 559 N -1.46 0.04 0.29 1.50 0.00 -1.03 -1.95 107.32 104.72 2hye s GLY 559 Ca 0.05 0.49 0.07 0.00 0.00 0.00 0.00 44.72 45.34 2hye s GLY 559 CO -0.04 0.92 0.22 1.08 0.00 0.00 0.00 173.10 175.28 2hye s LEU 560 N 1.23 3.65 -0.02 0.66 1.43 -1.09 -0.83 118.68 123.70 2hye s LEU 560 Ca -0.08 -0.41 0.13 0.00 -1.03 0.00 0.00 54.13 52.74 2hye s LEU 560 Cb -0.12 -2.21 0.41 0.00 0.03 0.00 0.00 46.19 44.30 2hye s LEU 560 CO -0.05 -0.18 1.32 0.79 0.23 0.00 0.00 176.35 178.46 2hye n TRP 561 N -1.24 0.71 0.00 0.29 7.02 0.03 -3.65 117.44 120.60 2hye n TRP 561 Ca -0.05 -0.32 0.00 0.00 -1.02 0.00 0.00 57.50 56.11 2hye n TRP 561 Cb 0.59 -0.06 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 2hye n TRP 561 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 2hye n THR 562 N 0.74 0.00 0.31 -0.99 -1.04 -1.26 -4.75 114.28 107.29 2hye n THR 562 Ca 0.15 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.32 2hye n THR 562 Cb 0.45 -0.58 0.57 0.00 -1.82 0.00 0.00 70.33 68.95 2hye n THR 562 CO 0.00 0.00 0.00 -2.24 -0.64 0.00 0.00 175.07 172.19 2hye h ASP 563 N 0.00 0.00 -5.71 8.00 2.03 -1.98 -3.47 116.42 115.29 2hye h ASP 563 Ca 0.00 0.00 -0.33 0.00 -0.73 0.00 0.00 57.03 55.97 2hye h ASP 563 Cb 0.13 0.00 0.15 0.00 -0.83 0.00 0.00 39.33 38.78 2hye h ASP 563 CO 0.00 0.00 -0.81 -0.38 -1.03 0.00 0.00 179.24 177.02 2hye n ILE 564 N -2.89 -6.57 -3.11 4.15 5.41 -1.24 -4.89 119.36 110.22 2hye n ILE 564 Ca 0.02 -0.75 -0.14 0.00 1.00 0.00 0.00 62.75 62.88 2hye n ILE 564 Cb 0.32 -5.15 0.04 0.00 -0.71 0.00 0.00 39.64 34.14 2hye n ILE 564 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2hye n SER 565 N -3.12 1.51 -3.09 4.38 3.41 -1.25 -3.66 113.62 111.80 2hye n SER 565 Ca -0.22 -2.06 0.01 0.00 -0.26 0.00 0.00 58.87 56.33 2hye n SER 565 Cb 0.65 -0.26 -0.01 0.00 -0.26 0.00 0.00 64.21 64.34 2hye n SER 565 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hye s ALA 566 N -2.48 -2.87 0.40 7.33 0.00 -0.85 -2.68 121.76 120.62 2hye s ALA 566 Ca 0.39 0.46 0.08 0.00 0.00 0.00 0.00 51.96 52.88 2hye s ALA 566 Cb -0.03 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 2hye s ALA 566 CO 0.25 -2.29 0.30 -0.98 0.00 0.00 0.00 175.76 173.03 2hye s ARG 567 N 1.85 2.45 -0.25 0.00 3.03 -0.82 -3.38 118.95 121.81 2hye s ARG 567 Ca 0.16 -1.61 -0.02 0.00 2.03 0.00 0.00 55.73 56.30 2hye s ARG 567 Cb -0.02 -2.26 0.03 0.00 -1.03 0.00 0.00 34.95 31.67 2hye s ARG 567 CO -0.09 -0.13 -0.05 0.42 -1.13 0.00 0.00 175.30 174.32 2hye s ILE 568 N -2.49 2.89 0.15 4.99 -1.09 -0.48 -1.94 121.20 123.23 2hye s ILE 568 Ca 0.45 -1.07 -0.01 0.00 -2.23 0.00 0.00 60.65 57.78 2hye s ILE 568 Cb -0.01 -2.49 -0.05 0.00 -1.58 0.00 0.00 42.46 38.33 2hye s ILE 568 CO 0.26 0.16 0.34 -0.76 -1.23 0.00 0.00 174.94 173.71 2hye s LEU 569 N 1.31 4.28 -0.12 2.97 1.43 -0.60 -2.29 118.68 125.66 2hye s LEU 569 Ca -0.01 0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 53.29 2hye s LEU 569 Cb -0.17 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 42.87 2hye s LEU 569 CO -0.04 0.04 0.62 -0.75 0.23 0.00 0.00 176.35 176.45 2hye s LYS 570 N -2.95 4.35 0.00 1.70 2.20 0.37 -0.99 119.74 124.41 2hye s LYS 570 Ca 0.38 0.69 0.00 0.00 -0.36 0.00 0.00 55.97 56.68 2hye s LYS 570 Cb -0.12 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 2hye s LYS 570 CO 0.27 0.01 0.88 1.28 -0.36 0.00 0.00 175.35 177.44 2hye n LEU 571 N 4.08 0.00 -0.32 5.43 4.77 0.20 0.27 117.00 131.43 2hye n LEU 571 Ca -0.03 0.88 0.21 0.00 -0.03 0.00 0.00 56.01 57.05 2hye n LEU 571 Cb 0.51 -0.38 0.40 0.00 -2.33 0.00 0.00 43.42 41.62 2hye n LEU 571 CO 0.45 -0.38 0.87 -0.81 -1.33 0.00 0.00 177.39 176.19 2hye n PRO 572 N -1.84 -0.07 -0.05 3.23 -0.04 -1.26 -2.52 135.00 132.45 2hye n PRO 572 Ca 0.00 1.39 0.00 0.00 -0.04 0.00 0.00 63.50 64.85 2hye n PRO 572 Cb 0.00 -2.32 -0.15 0.00 -0.04 0.00 0.00 33.50 30.99 2hye n PRO 572 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2hye n SER 573 N -5.31 0.43 -0.48 3.54 3.41 -1.22 -4.80 113.62 109.19 2hye n SER 573 Ca 0.28 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.84 2hye n SER 573 Cb 0.95 1.42 -0.02 0.00 -0.26 0.00 0.00 64.21 66.30 2hye n SER 573 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2hye n PHE 574 N -2.45 -0.04 -0.77 7.33 0.99 0.77 -4.99 117.46 118.30 2hye n PHE 574 Ca -0.17 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 56.98 2hye n PHE 574 Cb 0.82 -1.41 0.19 0.00 -1.00 0.00 0.00 39.48 38.08 2hye n PHE 574 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 2hye s GLU 575 N -2.75 0.43 -0.13 -1.08 2.12 -1.10 -4.54 118.70 111.64 2hye s GLU 575 Ca 0.00 1.14 -0.09 0.00 0.36 0.00 0.00 54.97 56.38 2hye s GLU 575 Cb 0.00 -1.69 -0.04 0.00 0.26 0.00 0.00 34.13 32.66 2hye s GLU 575 CO 0.00 -2.90 0.18 -1.17 -0.54 0.00 0.00 175.26 170.83 2hye s LEU 576 N -6.72 4.34 -0.06 2.70 0.20 -1.26 -0.48 118.68 117.40 2hye s LEU 576 Ca 0.66 0.46 -0.03 0.00 0.69 0.00 0.00 54.13 55.92 2hye s LEU 576 Cb -0.22 -2.15 -0.02 0.00 -0.43 0.00 0.00 46.19 43.36 2hye s LEU 576 CO 0.60 0.31 -0.07 0.18 -0.29 0.00 0.00 176.35 177.08 2hye n LEU 577 N 2.51 0.53 -3.74 -0.68 4.77 -0.97 -4.91 117.00 114.51 2hye n LEU 577 Ca -0.18 0.06 -0.16 0.00 -0.03 0.00 0.00 56.01 55.70 2hye n LEU 577 Cb 0.54 -0.17 -0.16 0.00 -2.33 0.00 0.00 43.42 41.30 2hye n LEU 577 CO 0.34 0.14 -0.34 -2.28 -1.33 0.00 0.00 177.39 173.92 2hye s HIS 578 N -2.10 0.03 -0.19 -1.77 5.04 -1.22 -4.85 115.29 110.23 2hye s HIS 578 Ca -0.08 0.19 -0.00 0.00 -1.54 0.00 0.00 55.06 53.63 2hye s HIS 578 Cb 0.03 -0.30 0.01 0.00 0.04 0.00 0.00 32.58 32.36 2hye s HIS 578 CO 0.10 -0.12 -0.15 0.21 -2.34 0.00 0.00 174.74 172.43 2hye s LYS 579 N 1.40 3.11 -0.16 2.88 2.20 -1.26 -1.38 119.74 126.54 2hye s LYS 579 Ca -0.05 -0.77 0.01 0.00 -0.36 0.00 0.00 55.97 54.80 2hye s LYS 579 Cb -0.13 -2.69 0.02 0.00 -1.51 0.00 0.00 37.83 33.52 2hye s LYS 579 CO -0.03 -0.19 -0.18 -2.00 -0.36 0.00 0.00 175.35 172.59 2hye s GLU 580 N 1.31 2.71 0.36 4.03 2.56 -1.22 -5.00 118.70 123.45 2hye s GLU 580 Ca 0.04 -0.73 -0.12 0.00 0.00 0.00 0.00 54.97 54.16 2hye s GLU 580 Cb -0.14 -2.34 -0.08 0.00 2.00 0.00 0.00 34.13 33.58 2hye s GLU 580 CO -0.09 -0.17 0.75 -1.64 -0.56 0.00 0.00 175.26 173.54 2hye s MET 581 N 1.23 3.88 0.00 4.30 -1.94 -1.26 -2.00 119.30 123.51 2hye s MET 581 Ca 0.02 0.55 0.00 0.00 -1.71 0.00 0.00 55.69 54.54 2hye s MET 581 Cb -0.14 -2.42 0.00 0.00 2.01 0.00 0.00 34.83 34.29 2hye s MET 581 CO -0.09 0.06 0.00 1.47 -0.01 0.00 0.00 175.02 176.45 2hye n LEU 582 N -0.85 0.00 0.00 -0.03 -0.00 -1.24 -4.99 117.00 109.90 2hye n LEU 582 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 2hye n LEU 582 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 2hye n LEU 582 CO 0.45 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.45 2hye n GLY 583 N 0.00 0.00 1.35 1.47 0.00 -1.26 -5.03 105.19 101.72 2hye n GLY 583 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hye n GLY 583 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hye n GLY 584 N 0.00 -0.35 0.00 -0.02 0.00 -1.26 -4.97 105.19 98.59 2hye n GLY 584 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hye n GLY 584 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2hye n GLU 585 N -2.17 0.27 -4.80 1.61 2.13 -1.26 -5.06 120.64 111.36 2hye n GLU 585 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 2hye n GLU 585 Cb 0.00 -0.02 -0.14 0.00 0.27 0.00 0.00 31.44 31.55 2hye n GLU 585 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2hye s ILE 586 N 0.00 3.10 0.50 6.31 1.09 -1.26 -5.12 121.20 125.82 2hye s ILE 586 Ca 0.00 -0.67 -0.05 0.00 -1.10 0.00 0.00 60.65 58.84 2hye s ILE 586 Cb 0.00 -2.27 -0.02 0.00 -1.06 0.00 0.00 42.46 39.10 2hye s ILE 586 CO 0.00 0.55 0.79 0.27 -0.10 0.00 0.00 174.94 176.45 2hye s ILE 587 N -0.05 4.51 0.81 2.92 -5.25 -1.26 -4.71 121.20 118.19 2hye s ILE 587 Ca -0.03 0.05 -0.12 0.00 -0.99 0.00 0.00 60.65 59.57 2hye s ILE 587 Cb -0.14 -3.72 0.09 0.00 2.95 0.00 0.00 42.46 41.63 2hye s ILE 587 CO 0.04 -0.69 1.15 -2.84 -1.79 0.00 0.00 174.94 170.80 2hye s PRO 588 N -4.77 1.73 0.00 0.37 0.02 -1.26 -1.98 135.00 129.11 2hye s PRO 588 Ca 0.49 1.50 0.00 0.00 0.02 0.00 0.00 61.00 63.00 2hye s PRO 588 Cb -0.10 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.61 2hye s PRO 588 CO 0.44 -2.09 0.00 -2.13 -0.33 0.00 0.00 177.00 172.89 2hye n ARG 589 N -3.55 2.37 -3.68 5.54 3.00 -0.64 -4.77 116.66 114.94 2hye n ARG 589 Ca 0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.83 2hye n ARG 589 Cb 0.52 -0.20 -0.09 0.00 0.00 0.00 0.00 32.46 32.69 2hye n ARG 589 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2hye s SER 590 N 0.00 -0.58 0.19 6.15 0.15 -1.21 -4.85 113.70 113.56 2hye s SER 590 Ca 0.00 1.10 -0.02 0.00 0.70 0.00 0.00 55.95 57.74 2hye s SER 590 Cb 0.00 1.12 -0.04 0.00 -1.71 0.00 0.00 66.02 65.39 2hye s SER 590 CO 0.00 -0.20 0.14 -0.51 1.20 0.00 0.00 173.24 173.87 2hye s ILE 591 N 0.26 0.01 0.00 6.45 2.07 -1.26 -2.19 121.20 126.54 2hye s ILE 591 Ca -0.00 -1.96 0.00 0.00 -1.41 0.00 0.00 60.65 57.28 2hye s ILE 591 Cb -0.04 -2.42 0.00 0.00 0.13 0.00 0.00 42.46 40.13 2hye s ILE 591 CO 0.01 -0.07 0.00 -0.11 -1.91 0.00 0.00 174.94 172.86 2hye n LEU 592 N -0.25 0.00 -4.90 8.50 0.00 -0.96 -4.81 117.00 114.58 2hye n LEU 592 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.72 2hye n LEU 592 Cb 0.65 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 44.04 2hye n LEU 592 CO 0.32 0.00 0.21 -0.04 0.00 0.00 0.00 177.39 177.89 2hye s MET 593 N 0.00 3.67 -0.09 1.96 -1.94 -1.26 -0.89 119.30 120.74 2hye s MET 593 Ca 0.00 0.08 -0.32 0.00 -1.71 0.00 0.00 55.69 53.74 2hye s MET 593 Cb 0.00 -2.64 0.12 0.00 2.01 0.00 0.00 34.83 34.32 2hye s MET 593 CO 0.00 0.22 1.04 0.99 -0.01 0.00 0.00 175.02 177.27 2hye s THR 594 N -2.04 0.00 -0.15 2.05 2.01 0.38 -4.86 115.64 113.03 2hye s THR 594 Ca 0.45 -0.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.43 2hye s THR 594 Cb -0.11 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.37 2hye s THR 594 CO 0.28 0.00 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.19 2hye s THR 595 N -2.78 2.90 0.00 -0.82 2.01 -1.26 0.16 115.64 115.84 2hye s THR 595 Ca 0.07 -0.69 0.00 0.00 0.31 0.00 0.00 61.69 61.38 2hye s THR 595 Cb -0.01 -2.24 0.00 0.00 0.01 0.00 0.00 72.50 70.26 2hye s THR 595 CO -0.07 0.51 0.00 0.49 -0.69 0.00 0.00 174.62 174.86 2hye n PHE 596 N 3.97 0.00 -0.02 4.92 0.99 -0.72 -4.83 117.46 121.77 2hye n PHE 596 Ca -0.19 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.35 2hye n PHE 596 Cb 0.52 -0.03 -0.17 0.00 -1.00 0.00 0.00 39.48 38.80 2hye n PHE 596 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 2hye n GLU 597 N -2.35 0.66 0.00 -1.08 2.13 -1.26 -4.77 120.64 113.97 2hye n GLU 597 Ca 0.00 -0.18 0.00 0.00 0.66 0.00 0.00 57.16 57.64 2hye n GLU 597 Cb 0.00 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.20 2hye n GLU 597 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2hye n SER 598 N -2.30 0.00 -4.69 4.31 3.41 -1.26 -5.13 113.62 107.96 2hye n SER 598 Ca -0.07 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.19 2hye n SER 598 Cb 0.62 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.48 2hye n SER 598 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2hye s SER 599 N 0.00 5.49 0.07 4.04 0.01 -1.26 -5.08 113.70 116.97 2hye s SER 599 Ca 0.00 0.17 -0.17 0.00 1.31 0.00 0.00 55.95 57.26 2hye s SER 599 Cb 0.00 -1.70 -0.06 0.00 0.21 0.00 0.00 66.02 64.46 2hye s SER 599 CO 0.00 0.33 0.52 -1.00 0.41 0.00 0.00 173.24 173.49 2hye s HIS 600 N -0.55 3.74 0.09 2.43 3.76 -1.26 -1.75 115.29 121.74 2hye s HIS 600 Ca 0.10 1.14 0.02 0.00 -0.15 0.00 0.00 55.06 56.17 2hye s HIS 600 Cb -0.12 -2.41 -0.04 0.00 1.11 0.00 0.00 32.58 31.12 2hye s HIS 600 CO 0.02 0.57 -0.06 0.71 -0.85 0.00 0.00 174.74 175.13 2hye s TYR 601 N -1.18 0.83 -0.05 1.40 1.51 0.12 -2.52 117.35 117.45 2hye s TYR 601 Ca 0.29 -0.88 0.06 0.00 -1.01 0.00 0.00 57.07 55.54 2hye s TYR 601 Cb -0.18 -0.49 -0.02 0.00 -0.11 0.00 0.00 41.96 41.17 2hye s TYR 601 CO 0.18 -0.16 -0.23 -1.17 -1.11 0.00 0.00 175.55 173.05 2hye s LEU 602 N -2.85 2.18 -0.23 -1.29 1.98 -0.93 -0.47 118.68 117.07 2hye s LEU 602 Ca 0.09 -0.45 -0.01 0.00 -2.89 0.00 0.00 54.13 50.87 2hye s LEU 602 Cb 0.04 -1.40 0.07 0.00 0.66 0.00 0.00 46.19 45.56 2hye s LEU 602 CO -0.05 0.28 0.00 -0.76 -1.89 0.00 0.00 176.35 173.93 2hye s LEU 603 N -0.36 2.09 0.60 -0.68 1.43 -0.07 -1.48 118.68 120.22 2hye s LEU 603 Ca 0.02 -1.14 0.01 0.00 -1.03 0.00 0.00 54.13 51.99 2hye s LEU 603 Cb -0.12 -0.94 0.06 0.00 0.03 0.00 0.00 46.19 45.22 2hye s LEU 603 CO 0.02 -0.29 0.85 0.00 0.23 0.00 0.00 176.35 177.15 2hye s ALA 605 N -2.89 -2.27 1.30 0.00 0.00 -0.93 -2.67 121.76 114.30 2hye s ALA 605 Ca 0.60 2.04 -0.19 0.00 0.00 0.00 0.00 51.96 54.40 2hye s ALA 605 Cb -0.09 -2.03 0.29 0.00 0.00 0.00 0.00 23.12 21.30 2hye s ALA 605 CO 0.40 -1.15 0.88 1.28 0.00 0.00 0.00 175.76 177.17 2hye n LEU 606 N 5.41 0.00 0.02 0.00 4.77 -0.92 -1.61 117.00 124.67 2hye n LEU 606 Ca -0.06 -0.92 0.12 0.00 -0.03 0.00 0.00 56.01 55.12 2hye n LEU 606 Cb 0.50 -0.87 0.23 0.00 -2.33 0.00 0.00 43.42 40.95 2hye n LEU 606 CO -0.01 -2.27 0.42 0.61 -1.33 0.00 0.00 177.39 174.81 2hye n GLY 607 N -4.32 -1.32 0.11 -0.72 0.00 -0.84 -3.69 105.19 94.41 2hye n GLY 607 Ca 0.13 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 2hye n GLY 607 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2hye h ASP 608 N 0.00 -0.17 0.00 1.61 -0.00 -1.86 -3.09 116.42 112.91 2hye h ASP 608 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 57.03 56.94 2hye h ASP 608 Cb 0.60 0.04 0.00 0.00 -0.00 0.00 0.00 39.33 39.97 2hye h ASP 608 CO 0.00 -0.01 0.00 0.61 -0.00 0.00 0.00 179.24 179.84 2hye n GLY 609 N -0.87 0.50 3.91 -0.78 0.00 -1.24 -4.10 105.19 102.60 2hye n GLY 609 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 2hye n GLY 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hye s ALA 610 N -1.10 3.16 -0.28 4.61 0.00 -1.26 -1.17 121.76 125.72 2hye s ALA 610 Ca 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 2hye s ALA 610 Cb 0.00 -2.74 0.13 0.00 0.00 0.00 0.00 23.12 20.51 2hye s ALA 610 CO 0.00 -0.94 0.29 -1.17 0.00 0.00 0.00 175.76 173.93 2hye s LEU 611 N -5.13 -0.23 0.42 0.00 0.20 -0.15 -2.16 118.68 111.63 2hye s LEU 611 Ca 0.56 -0.65 -0.14 0.00 0.69 0.00 0.00 54.13 54.59 2hye s LEU 611 Cb -0.11 0.51 -0.08 0.00 -0.43 0.00 0.00 46.19 46.08 2hye s LEU 611 CO 0.47 -0.38 0.84 -0.36 -0.29 0.00 0.00 176.35 176.63 2hye s PHE 612 N 2.36 3.43 -0.18 5.38 0.40 -1.09 -2.65 117.98 125.63 2hye s PHE 612 Ca 0.09 1.24 -0.13 0.00 -0.60 0.00 0.00 56.93 57.53 2hye s PHE 612 Cb -0.14 -2.59 0.06 0.00 0.51 0.00 0.00 43.02 40.85 2hye s PHE 612 CO -0.29 -0.14 0.46 1.52 0.70 0.00 0.00 175.22 177.47 2hye s TYR 613 N -2.35 -0.61 0.32 0.36 -0.85 -1.07 -2.52 117.35 110.63 2hye s TYR 613 Ca 0.55 1.36 0.08 0.00 -0.52 0.00 0.00 57.07 58.54 2hye s TYR 613 Cb -0.10 0.27 -0.06 0.00 0.38 0.00 0.00 41.96 42.44 2hye s TYR 613 CO 0.27 -0.32 -0.08 -0.06 -1.52 0.00 0.00 175.55 173.84 2hye s PHE 614 N 0.93 2.24 -1.28 -3.49 0.40 -0.55 -2.19 117.98 114.04 2hye s PHE 614 Ca -0.05 -0.58 -0.05 0.00 -0.60 0.00 0.00 56.93 55.65 2hye s PHE 614 Cb -0.06 -1.28 0.15 0.00 0.51 0.00 0.00 43.02 42.34 2hye s PHE 614 CO -0.08 0.47 2.29 0.41 0.70 0.00 0.00 175.22 179.02 2hye n GLY 615 N -0.72 5.33 3.59 4.36 0.00 -1.26 -2.18 105.19 114.32 2hye n GLY 615 Ca -0.05 -2.13 -0.50 0.00 0.00 0.00 0.00 46.02 43.34 2hye n GLY 615 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2hye n LEU 616 N 1.54 2.78 -4.66 0.99 7.94 -1.05 -4.28 117.00 120.25 2hye n LEU 616 Ca 0.60 0.71 -0.37 0.00 -1.11 0.00 0.00 56.01 55.83 2hye n LEU 616 Cb 0.25 -1.31 -0.08 0.00 0.53 0.00 0.00 43.42 42.81 2hye n LEU 616 CO 0.67 -0.42 -0.02 0.21 -1.11 0.00 0.00 177.39 176.71 2hye s ASN 617 N 5.60 6.29 0.19 1.96 3.84 -0.93 -4.17 114.94 127.72 2hye s ASN 617 Ca 1.01 0.33 -0.10 0.00 0.21 0.00 0.00 52.86 54.30 2hye s ASN 617 Cb -0.78 -2.17 0.10 0.00 -0.55 0.00 0.00 41.25 37.85 2hye s ASN 617 CO 0.52 -0.02 1.73 0.16 -2.79 0.00 0.00 177.10 176.70 2hye h ILE 618 N 5.04 1.24 -0.20 -5.21 -0.00 -1.93 -2.31 117.51 114.16 2hye h ILE 618 Ca -0.37 -0.80 0.03 0.00 -0.00 0.00 0.00 64.86 63.72 2hye h ILE 618 Cb 1.17 0.52 -0.05 0.00 -0.00 0.00 0.00 36.82 38.46 2hye h ILE 618 CO 0.69 0.31 -0.34 -0.33 -0.00 0.00 0.00 178.15 178.48 2hye h GLU 619 N 0.95 -0.27 0.00 0.16 4.39 -1.97 -2.74 114.58 115.10 2hye h GLU 619 Ca 0.22 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.94 2hye h GLU 619 Cb 0.24 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2hye h GLU 619 CO -0.01 -0.18 -0.47 1.15 -1.16 0.00 0.00 179.01 178.34 2hye h THR 620 N -0.28 0.00 -4.05 1.13 2.02 -2.02 -3.48 112.91 106.24 2hye h THR 620 Ca 0.04 -0.96 -0.09 0.00 0.77 0.00 0.00 66.41 66.17 2hye h THR 620 Cb 0.38 1.72 0.07 0.00 -1.74 0.00 0.00 68.15 68.59 2hye h THR 620 CO -0.33 0.00 -0.30 0.61 0.37 0.00 0.00 175.52 175.87 2hye n GLY 621 N 1.15 -0.11 3.37 2.16 0.00 -0.87 -4.98 105.19 105.91 2hye n GLY 621 Ca 0.02 0.09 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 2hye n GLY 621 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2hye s LEU 622 N -3.80 0.06 0.29 0.99 0.05 -1.20 -3.84 118.68 111.23 2hye s LEU 622 Ca 0.16 0.13 0.10 0.00 0.05 0.00 0.00 54.13 54.57 2hye s LEU 622 Cb -0.02 2.02 -0.05 0.00 -2.05 0.00 0.00 46.19 46.09 2hye s LEU 622 CO 0.32 -0.70 -0.06 -1.48 -0.55 0.00 0.00 176.35 173.88 2hye s LEU 623 N -1.98 2.94 0.00 1.48 0.05 -1.26 -2.18 118.68 117.73 2hye s LEU 623 Ca -0.05 -0.88 0.00 0.00 0.05 0.00 0.00 54.13 53.25 2hye s LEU 623 Cb -0.01 -1.41 0.00 0.00 -2.05 0.00 0.00 46.19 42.72 2hye s LEU 623 CO -0.02 -0.07 0.41 -1.54 -0.55 0.00 0.00 176.35 174.59 2hye n SER 624 N -0.83 -0.28 -2.73 1.48 3.41 -1.26 -4.90 113.62 108.51 2hye n SER 624 Ca -0.05 -0.83 -0.07 0.00 -0.26 0.00 0.00 58.87 57.65 2hye n SER 624 Cb 0.60 0.08 0.07 0.00 -0.26 0.00 0.00 64.21 64.71 2hye n SER 624 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2hye n ASP 625 N 0.00 -2.39 -4.58 4.04 5.75 -1.26 -4.87 116.55 113.24 2hye n ASP 625 Ca -0.08 -3.09 -0.43 0.00 -0.01 0.00 0.00 54.79 51.19 2hye n ASP 625 Cb 0.39 1.65 -0.03 0.00 -1.03 0.00 0.00 41.12 42.09 2hye n ASP 625 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2hye n ARG 626 N 1.18 1.71 -3.93 0.11 0.63 -1.26 -4.52 116.66 110.58 2hye n ARG 626 Ca 0.06 0.42 -0.24 0.00 -0.92 0.00 0.00 57.85 57.17 2hye n ARG 626 Cb 0.67 -3.19 -0.05 0.00 0.45 0.00 0.00 32.46 30.34 2hye n ARG 626 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2hye s LYS 627 N 6.69 2.32 -0.12 -0.14 3.01 -0.93 -4.99 119.74 125.57 2hye s LYS 627 Ca 1.02 -1.82 -0.29 0.00 -1.01 0.00 0.00 55.97 53.87 2hye s LYS 627 Cb -0.36 -2.10 0.08 0.00 -1.01 0.00 0.00 37.83 34.43 2hye s LYS 627 CO 0.35 -0.27 0.73 0.21 0.51 0.00 0.00 175.35 176.88 2hye s LYS 628 N -4.06 0.95 0.34 1.68 2.20 -1.26 -2.59 119.74 117.00 2hye s LYS 628 Ca 0.40 0.46 -0.01 0.00 -0.36 0.00 0.00 55.97 56.46 2hye s LYS 628 Cb 0.00 0.45 -0.00 0.00 -1.51 0.00 0.00 37.83 36.77 2hye s LYS 628 CO 0.23 -0.25 0.43 0.14 -0.36 0.00 0.00 175.35 175.54 2hye s VAL 629 N -0.72 0.00 -0.01 4.02 -7.23 -1.08 -5.00 120.40 110.37 2hye s VAL 629 Ca -0.07 -1.68 0.01 0.00 -1.81 0.00 0.00 61.98 58.43 2hye s VAL 629 Cb -0.02 -2.61 0.01 0.00 0.56 0.00 0.00 36.38 34.32 2hye s VAL 629 CO 0.06 0.00 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.93 2hye s THR 630 N -3.15 0.32 -0.03 5.32 2.01 -1.26 -0.98 115.64 117.87 2hye s THR 630 Ca 0.32 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.23 2hye s THR 630 Cb 0.00 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 2hye s THR 630 CO 0.21 0.12 -0.01 0.18 -0.69 0.00 0.00 174.62 174.43 2hye n LEU 631 N 3.40 1.65 0.00 4.42 4.77 -0.32 -4.98 117.00 125.94 2hye n LEU 631 Ca -0.18 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2hye n LEU 631 Cb 0.55 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2hye n LEU 631 CO 0.25 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2hye n GLY 632 N 3.12 4.40 0.00 -0.72 0.00 -1.19 -4.41 105.19 106.38 2hye n GLY 632 Ca -0.05 -1.23 0.02 0.00 0.00 0.00 0.00 46.02 44.75 2hye n GLY 632 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hye n THR 633 N 0.00 0.00 -3.87 2.61 -2.24 -1.26 -4.30 114.28 105.21 2hye n THR 633 Ca 0.00 -0.08 -0.30 0.00 -2.27 0.00 0.00 64.05 61.40 2hye n THR 633 Cb 0.00 0.44 -0.04 0.00 -2.10 0.00 0.00 70.33 68.63 2hye n THR 633 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2hye s GLN 634 N -2.21 3.47 0.03 -0.78 -0.21 -1.26 -4.66 119.66 114.04 2hye s GLN 634 Ca -0.01 -0.42 -0.30 0.00 0.02 0.00 0.00 55.36 54.65 2hye s GLN 634 Cb 0.02 -2.98 -0.08 0.00 1.00 0.00 0.00 33.01 30.97 2hye s GLN 634 CO 0.14 0.56 1.78 -1.25 -2.12 0.00 0.00 175.29 174.39 2hye s PRO 635 N -2.74 4.17 0.00 2.91 0.04 -1.17 -4.37 135.00 133.84 2hye s PRO 635 Ca 0.36 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.82 2hye s PRO 635 Cb -0.12 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.51 2hye s PRO 635 CO 0.28 -0.85 0.00 0.25 0.04 0.00 0.00 177.00 176.71 2hye n THR 636 N 5.23 0.00 -3.65 1.26 -2.24 -1.26 -4.87 114.28 108.75 2hye n THR 636 Ca 0.18 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.91 2hye n THR 636 Cb 0.41 -2.00 -0.07 0.00 -2.10 0.00 0.00 70.33 66.58 2hye n THR 636 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2hye s VAL 637 N -0.83 -0.78 0.41 2.28 1.01 -1.00 -4.64 120.40 116.85 2hye s VAL 637 Ca 0.00 0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.87 2hye s VAL 637 Cb 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 36.38 35.42 2hye s VAL 637 CO 0.00 0.03 0.88 -0.76 0.00 0.00 0.00 175.10 175.25 2hye s LEU 638 N 2.67 3.92 -0.24 3.92 1.43 -1.26 -2.08 118.68 127.04 2hye s LEU 638 Ca -0.05 1.52 -0.09 0.00 -1.03 0.00 0.00 54.13 54.49 2hye s LEU 638 Cb -0.12 -4.37 0.11 0.00 0.03 0.00 0.00 46.19 41.84 2hye s LEU 638 CO -0.16 -0.35 0.53 -0.13 0.23 0.00 0.00 176.35 176.47 2hye s ARG 639 N -3.29 0.46 0.51 1.70 1.81 -1.17 -4.94 118.95 114.02 2hye s ARG 639 Ca 0.59 1.22 -0.17 0.00 -1.72 0.00 0.00 55.73 55.65 2hye s ARG 639 Cb -0.10 0.54 -0.08 0.00 -0.45 0.00 0.00 34.95 34.87 2hye s ARG 639 CO 0.18 -0.22 0.99 -0.08 -0.68 0.00 0.00 175.30 175.49 2hye s THR 640 N 2.63 4.51 -0.26 0.02 -1.32 -1.26 -1.16 115.64 118.79 2hye s THR 640 Ca -0.04 1.23 -0.26 0.00 -1.21 0.00 0.00 61.69 61.41 2hye s THR 640 Cb -0.11 -3.70 0.11 0.00 -1.51 0.00 0.00 72.50 67.28 2hye s THR 640 CO -0.16 -0.66 0.93 0.72 -2.21 0.00 0.00 174.62 173.24 2hye s PHE 641 N -2.59 -0.57 0.09 9.09 -0.12 -0.42 -4.72 117.98 118.74 2hye s PHE 641 Ca 0.59 1.35 -0.12 0.00 -0.05 0.00 0.00 56.93 58.70 2hye s PHE 641 Cb -0.10 0.34 -0.06 0.00 -0.63 0.00 0.00 43.02 42.57 2hye s PHE 641 CO 0.30 -0.29 0.46 1.03 -0.05 0.00 0.00 175.22 176.67 2hye s ARG 642 N 0.13 3.87 0.00 1.99 1.81 -1.26 -1.98 118.95 123.52 2hye s ARG 642 Ca 0.01 0.34 0.00 0.00 -1.72 0.00 0.00 55.73 54.36 2hye s ARG 642 Cb -0.05 -3.01 0.00 0.00 -0.45 0.00 0.00 34.95 31.45 2hye s ARG 642 CO -0.03 0.55 0.00 -1.13 -0.68 0.00 0.00 175.30 174.01 2hye n SER 643 N 1.01 0.00 0.00 0.23 3.41 0.42 -4.98 113.62 113.71 2hye n SER 643 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2hye n SER 643 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2hye n SER 643 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2hye n LEU 644 N 0.00 0.00 -0.01 1.04 4.77 -1.26 -3.97 117.00 117.58 2hye n LEU 644 Ca 0.00 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 2hye n LEU 644 Cb 0.00 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2hye n LEU 644 CO 0.00 -0.11 0.41 -1.20 -1.33 0.00 0.00 177.39 175.17 2hye n SER 645 N -1.42 1.30 -4.34 -1.43 7.64 -1.26 -5.06 113.62 109.05 2hye n SER 645 Ca 0.00 -1.68 -0.18 0.00 1.01 0.00 0.00 58.87 58.02 2hye n SER 645 Cb 0.00 -0.01 -0.10 0.00 -1.01 0.00 0.00 64.21 63.09 2hye n SER 645 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2hye s THR 646 N -0.69 1.68 0.31 0.44 -4.23 -1.25 -5.17 115.64 106.73 2hye s THR 646 Ca 0.01 -2.20 0.07 0.00 -1.18 0.00 0.00 61.69 58.39 2hye s THR 646 Cb 0.01 -2.03 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 2hye s THR 646 CO 0.00 -0.61 0.32 0.28 -0.54 0.00 0.00 174.62 174.07 2hye s THR 647 N -3.01 4.03 0.00 3.99 -1.32 -1.26 0.16 115.64 118.23 2hye s THR 647 Ca 0.22 -1.25 0.00 0.00 -1.21 0.00 0.00 61.69 59.45 2hye s THR 647 Cb -0.00 -3.35 0.00 0.00 -1.51 0.00 0.00 72.50 67.63 2hye s THR 647 CO 0.06 -0.22 0.00 -0.46 -2.21 0.00 0.00 174.62 171.79 2hye n ASN 648 N -1.40 0.00 -4.20 8.08 0.23 -0.84 -4.81 115.26 112.32 2hye n ASN 648 Ca -0.03 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.72 2hye n ASN 648 Cb 0.59 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.46 2hye n ASN 648 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2hye s VAL 649 N -2.00 1.98 -0.29 3.53 1.01 -1.09 -1.30 120.40 122.25 2hye s VAL 649 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.01 2hye s VAL 649 Cb 0.00 -2.98 0.17 0.00 0.00 0.00 0.00 36.38 33.58 2hye s VAL 649 CO 0.00 0.00 0.49 0.12 0.00 0.00 0.00 175.10 175.71 2hye s PHE 650 N -3.82 -1.35 -1.19 5.22 5.36 -0.31 -3.57 117.98 118.32 2hye s PHE 650 Ca 0.73 0.79 -0.20 0.00 -0.96 0.00 0.00 56.93 57.28 2hye s PHE 650 Cb -0.05 0.10 0.05 0.00 -0.34 0.00 0.00 43.02 42.78 2hye s PHE 650 CO 0.53 -0.98 1.67 0.00 -1.46 0.00 0.00 175.22 174.97 2hye s ALA 651 N 2.68 2.99 0.08 11.12 0.00 -1.17 -3.06 121.76 134.39 2hye s ALA 651 Ca 0.11 -2.63 -0.31 0.00 0.00 0.00 0.00 51.96 49.14 2hye s ALA 651 Cb -0.12 -4.61 -0.09 0.00 0.00 0.00 0.00 23.12 18.29 2hye s ALA 651 CO -0.26 -3.56 1.84 0.00 0.00 0.00 0.00 175.76 173.78 2hye n SER 653 N 6.35 0.00 0.14 0.00 3.41 -1.08 -2.38 113.62 120.06 2hye n SER 653 Ca 0.18 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.80 2hye n SER 653 Cb 0.40 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.44 2hye n SER 653 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2hye h ASP 654 N 0.00 0.00 -2.18 4.04 2.03 -1.89 -2.90 116.42 115.53 2hye h ASP 654 Ca 0.00 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.72 2hye h ASP 654 Cb 0.00 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 38.09 2hye h ASP 654 CO 0.00 0.58 -0.76 0.54 -1.03 0.00 0.00 179.24 178.57 2hye n ARG 655 N -3.38 2.35 -1.33 4.15 5.12 -1.26 -4.46 116.66 117.85 2hye n ARG 655 Ca 0.01 -4.38 -0.52 0.00 -1.93 0.00 0.00 57.85 51.03 2hye n ARG 655 Cb 0.70 -2.04 -0.07 0.00 -1.16 0.00 0.00 32.46 29.89 2hye n ARG 655 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 2hye n PRO 656 N 0.44 0.00 -3.72 5.56 -0.02 -1.26 -4.72 135.00 131.28 2hye n PRO 656 Ca 0.28 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.58 2hye n PRO 656 Cb 0.45 -1.25 -0.05 0.00 -0.02 0.00 0.00 33.50 32.63 2hye n PRO 656 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2hye n THR 657 N 1.98 0.00 -3.31 3.45 -1.04 -1.21 -1.01 114.28 113.14 2hye n THR 657 Ca 0.20 -1.71 -0.15 0.00 -2.04 0.00 0.00 64.05 60.35 2hye n THR 657 Cb 0.03 0.61 -0.07 0.00 -1.82 0.00 0.00 70.33 69.08 2hye n THR 657 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2hye s VAL 658 N -2.65 -0.39 0.65 12.58 1.01 -1.26 -3.06 120.40 127.29 2hye s VAL 658 Ca 0.15 -1.01 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 2hye s VAL 658 Cb 0.01 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.79 2hye s VAL 658 CO 0.11 -0.54 1.18 -0.63 0.00 0.00 0.00 175.10 175.22 2hye s ILE 659 N 1.33 2.68 0.00 2.22 1.09 -1.23 -3.90 121.20 123.38 2hye s ILE 659 Ca 0.19 0.37 0.00 0.00 -1.10 0.00 0.00 60.65 60.10 2hye s ILE 659 Cb -0.12 -2.99 0.00 0.00 -1.06 0.00 0.00 42.46 38.28 2hye s ILE 659 CO -0.04 -0.15 0.00 0.00 -0.10 0.00 0.00 174.94 174.65 2hye n TYR 660 N -2.17 0.00 -3.23 3.97 0.18 -1.06 -2.67 117.16 112.18 2hye n TYR 660 Ca 0.13 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.51 2hye n TYR 660 Cb 0.50 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.39 2hye n TYR 660 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2hye s SER 661 N 0.00 6.43 -0.10 9.48 0.15 -1.26 -0.34 113.70 128.06 2hye s SER 661 Ca 0.00 0.48 -0.06 0.00 0.70 0.00 0.00 55.95 57.06 2hye s SER 661 Cb 0.00 -2.28 -0.27 0.00 -1.71 0.00 0.00 66.02 61.76 2hye s SER 661 CO 0.00 -0.31 0.44 -1.28 1.20 0.00 0.00 173.24 173.29 2hye h SER 662 N 8.06 0.42 -0.59 5.45 0.87 -1.64 -3.45 113.55 122.67 2hye h SER 662 Ca -0.29 -0.89 -0.16 0.00 -1.23 0.00 0.00 61.79 59.23 2hye h SER 662 Cb 1.14 -0.14 -0.15 0.00 -0.44 0.00 0.00 62.40 62.81 2hye h SER 662 CO 0.72 1.79 -0.45 -3.20 -0.53 0.00 0.00 176.83 175.17 2hye n ASN 663 N -3.47 -3.07 -1.70 6.23 5.15 -1.26 -4.91 115.26 112.23 2hye n ASN 663 Ca -0.30 -2.85 -0.14 0.00 -0.60 0.00 0.00 54.58 50.70 2hye n ASN 663 Cb 1.05 1.67 -0.04 0.00 -0.53 0.00 0.00 39.78 41.93 2hye n ASN 663 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2hye n HIS 664 N 2.46 -0.64 -3.77 1.20 8.25 -1.26 -4.88 115.22 116.59 2hye n HIS 664 Ca 0.14 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.48 2hye n HIS 664 Cb 0.59 -2.74 -0.12 0.00 1.12 0.00 0.00 29.99 28.85 2hye n HIS 664 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2hye s LYS 665 N -3.71 0.25 0.62 -0.41 2.20 -1.26 -5.14 119.74 112.28 2hye s LYS 665 Ca 0.00 0.40 -0.18 0.00 -0.36 0.00 0.00 55.97 55.83 2hye s LYS 665 Cb 0.00 0.04 -0.02 0.00 -1.51 0.00 0.00 37.83 36.33 2hye s LYS 665 CO 0.00 -0.08 1.19 -0.51 -0.36 0.00 0.00 175.35 175.59 2hye s LEU 666 N 0.55 3.59 -0.03 5.43 2.01 -1.26 -1.72 118.68 127.26 2hye s LEU 666 Ca -0.04 2.33 -0.02 0.00 0.01 0.00 0.00 54.13 56.41 2hye s LEU 666 Cb -0.05 -4.59 0.01 0.00 0.01 0.00 0.00 46.19 41.57 2hye s LEU 666 CO -0.03 -1.66 0.07 -0.69 1.01 0.00 0.00 176.35 175.05 2hye s VAL 667 N -1.74 -0.00 -0.07 -1.59 1.01 0.54 -4.80 120.40 113.75 2hye s VAL 667 Ca 0.76 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.81 2hye s VAL 667 Cb -0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 2hye s VAL 667 CO 0.35 0.01 -0.24 -0.36 0.00 0.00 0.00 175.10 174.86 2hye s PHE 668 N 0.13 2.37 -0.51 5.22 0.40 -1.26 -2.58 117.98 121.76 2hye s PHE 668 Ca -0.01 -0.78 0.06 0.00 -0.60 0.00 0.00 56.93 55.60 2hye s PHE 668 Cb -0.02 -1.57 0.20 0.00 0.51 0.00 0.00 43.02 42.15 2hye s PHE 668 CO -0.00 -0.26 0.49 0.43 0.70 0.00 0.00 175.22 176.57 2hye n SER 669 N 3.13 1.16 -2.59 1.36 7.64 -1.25 -4.90 113.62 118.17 2hye n SER 669 Ca -0.18 -2.82 -0.36 0.00 1.01 0.00 0.00 58.87 56.52 2hye n SER 669 Cb 0.52 -0.64 -0.05 0.00 -1.01 0.00 0.00 64.21 63.03 2hye n SER 669 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2hye n ASN 670 N 1.93 0.38 -4.69 6.43 6.94 -1.26 -4.14 115.26 120.86 2hye n ASN 670 Ca 0.25 0.66 -0.42 0.00 -0.02 0.00 0.00 54.58 55.05 2hye n ASN 670 Cb 0.45 -0.50 -0.03 0.00 -2.36 0.00 0.00 39.78 37.35 2hye n ASN 670 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2hye s VAL 671 N 0.95 4.79 0.00 3.53 1.01 -0.18 -2.39 120.40 128.12 2hye s VAL 671 Ca 0.55 2.02 0.00 0.00 0.00 0.00 0.00 61.98 64.55 2hye s VAL 671 Cb -0.78 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.30 2hye s VAL 671 CO 0.40 0.01 0.90 0.59 0.00 0.00 0.00 175.10 177.00 2hye n ASN 672 N 4.97 0.00 -3.89 3.32 4.13 0.40 -4.71 115.26 119.48 2hye n ASN 672 Ca 0.08 -1.87 -0.10 0.00 1.68 0.00 0.00 54.58 54.38 2hye n ASN 672 Cb 0.49 -0.43 -0.09 0.00 -1.54 0.00 0.00 39.78 38.21 2hye n ASN 672 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2hye s LEU 673 N 0.00 1.60 0.00 3.41 0.20 -1.26 -4.85 118.68 117.78 2hye s LEU 673 Ca 0.00 -0.45 0.00 0.00 0.69 0.00 0.00 54.13 54.37 2hye s LEU 673 Cb 0.00 0.76 0.00 0.00 -0.43 0.00 0.00 46.19 46.52 2hye s LEU 673 CO 0.00 -0.53 0.00 0.29 -0.29 0.00 0.00 176.35 175.82 2hye n LYS 674 N 0.74 0.00 -2.49 1.98 5.02 -1.26 -4.70 118.16 117.45 2hye n LYS 674 Ca -0.19 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.73 2hye n LYS 674 Cb 0.59 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.56 2hye n LYS 674 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2hye s GLU 675 N 0.00 4.10 -0.43 1.97 2.02 -1.26 -4.46 118.70 120.64 2hye s GLU 675 Ca 0.00 1.57 0.05 0.00 0.02 0.00 0.00 54.97 56.61 2hye s GLU 675 Cb 0.00 -2.53 0.18 0.00 0.10 0.00 0.00 34.13 31.89 2hye s GLU 675 CO 0.00 -0.21 0.43 0.28 0.02 0.00 0.00 175.26 175.78 2hye n VAL 676 N -0.13 -0.95 0.07 2.63 0.31 -1.09 -4.66 118.33 114.50 2hye n VAL 676 Ca 0.05 -3.05 -0.03 0.00 -0.01 0.00 0.00 64.34 61.31 2hye n VAL 676 Cb 0.49 -1.19 -0.01 0.00 -0.91 0.00 0.00 33.84 32.22 2hye n VAL 676 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2hye h ASN 677 N 5.33 -0.17 -1.95 4.52 4.21 -1.60 -2.86 115.58 123.06 2hye h ASN 677 Ca 0.21 0.01 -0.61 0.00 1.21 0.00 0.00 56.30 57.11 2hye h ASN 677 Cb 0.94 0.05 -0.13 0.00 -1.12 0.00 0.00 38.32 38.06 2hye h ASN 677 CO 0.32 -0.11 -0.67 -0.31 -1.29 0.00 0.00 177.43 175.37 2hye s TYR 678 N -3.41 2.43 -0.02 1.19 1.51 -1.02 -4.63 117.35 113.41 2hye s TYR 678 Ca -0.03 -0.48 -0.28 0.00 -1.01 0.00 0.00 57.07 55.27 2hye s TYR 678 Cb 0.00 -1.39 0.10 0.00 -0.11 0.00 0.00 41.96 40.56 2hye s TYR 678 CO 0.08 0.57 0.83 1.41 -1.11 0.00 0.00 175.55 177.33 2hye s MET 679 N -3.63 0.89 0.11 -0.62 1.75 -1.26 -2.01 119.30 114.53 2hye s MET 679 Ca 0.33 -0.15 -0.24 0.00 -1.25 0.00 0.00 55.69 54.38 2hye s MET 679 Cb 0.02 0.41 0.06 0.00 2.84 0.00 0.00 34.83 38.16 2hye s MET 679 CO 0.17 -0.35 0.58 0.00 -0.65 0.00 0.00 175.02 174.77 2hye s PRO 681 N -3.19 3.09 -0.14 0.00 0.02 -1.26 -0.82 135.00 132.69 2hye s PRO 681 Ca -0.01 1.07 -0.04 0.00 0.02 0.00 0.00 61.00 62.03 2hye s PRO 681 Cb -0.01 -2.01 0.05 0.00 0.02 0.00 0.00 34.50 32.56 2hye s PRO 681 CO -0.08 -0.98 0.09 -1.17 -0.33 0.00 0.00 177.00 174.53 2hye s LEU 682 N -5.09 0.29 -0.35 -5.54 1.98 -0.74 -4.71 118.68 104.53 2hye s LEU 682 Ca 0.60 -0.47 0.07 0.00 -2.89 0.00 0.00 54.13 51.45 2hye s LEU 682 Cb -0.15 -0.21 0.58 0.00 0.66 0.00 0.00 46.19 47.07 2hye s LEU 682 CO 0.47 -0.33 1.66 -3.20 -1.89 0.00 0.00 176.35 173.06 2hye n ASN 683 N 5.28 3.09 -4.34 3.68 2.85 -1.26 -0.44 115.26 124.13 2hye n ASN 683 Ca -0.06 -3.68 -0.32 0.00 -0.11 0.00 0.00 54.58 50.40 2hye n ASN 683 Cb 0.49 -0.72 0.16 0.00 1.24 0.00 0.00 39.78 40.95 2hye n ASN 683 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2hye n SER 684 N -1.09 -2.24 0.06 1.20 2.88 -1.03 -3.56 113.62 109.83 2hye n SER 684 Ca 0.44 0.05 -0.04 0.00 -1.33 0.00 0.00 58.87 57.99 2hye n SER 684 Cb 1.30 -1.06 -0.08 0.00 -0.75 0.00 0.00 64.21 63.62 2hye n SER 684 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 2hye h ASP 685 N -1.90 0.00 1.66 -3.46 3.04 -1.85 -3.01 116.42 110.89 2hye h ASP 685 Ca -0.50 0.00 -0.04 0.00 -3.24 0.00 0.00 57.03 53.25 2hye h ASP 685 Cb 1.33 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.61 2hye h ASP 685 CO 0.37 0.79 -0.21 1.23 -2.04 0.00 0.00 179.24 179.39 2hye h GLY 686 N 3.38 0.00 -6.87 7.15 0.00 -1.88 -3.36 103.07 101.49 2hye h GLY 686 Ca -0.10 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.62 2hye h GLY 686 CO 0.09 0.00 -0.74 -0.19 0.00 0.00 0.00 176.54 175.70 2hye s TYR 687 N -3.19 2.34 0.27 5.60 2.02 -1.21 -4.88 117.35 118.31 2hye s TYR 687 Ca 0.05 -2.75 -0.08 0.00 -0.37 0.00 0.00 57.07 53.92 2hye s TYR 687 Cb 0.07 -1.94 0.44 0.00 -0.40 0.00 0.00 41.96 40.12 2hye s TYR 687 CO 0.69 -0.71 1.58 -1.35 -1.57 0.00 0.00 175.55 174.19 2hye h PRO 688 N 5.95 0.01 -0.67 -1.71 0.11 -1.69 -2.74 132.00 131.25 2hye h PRO 688 Ca 0.12 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.13 2hye h PRO 688 Cb 0.86 -0.00 -0.16 0.00 0.11 0.00 0.00 31.00 31.81 2hye h PRO 688 CO 0.54 0.00 -0.37 -0.25 -0.21 0.00 0.00 178.00 177.72 2hye n ASP 689 N -5.56 -2.77 -0.80 -2.05 9.92 -1.26 -4.63 116.55 109.40 2hye n ASP 689 Ca 0.15 -2.31 0.00 0.00 -0.53 0.00 0.00 54.79 52.10 2hye n ASP 689 Cb 0.48 1.42 0.00 0.00 -0.64 0.00 0.00 41.12 42.39 2hye n ASP 689 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2hye n SER 690 N 2.72 1.72 -4.04 -2.24 7.64 0.42 -4.88 113.62 114.97 2hye n SER 690 Ca 0.15 -0.40 -0.09 0.00 1.01 0.00 0.00 58.87 59.54 2hye n SER 690 Cb 0.60 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.69 2hye n SER 690 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2hye s LEU 691 N 0.00 2.32 -0.15 -3.43 1.02 -0.34 -1.78 118.68 116.33 2hye s LEU 691 Ca 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 54.13 53.49 2hye s LEU 691 Cb 0.00 0.05 0.02 0.00 0.02 0.00 0.00 46.19 46.29 2hye s LEU 691 CO 0.00 -0.36 -0.14 0.00 0.02 0.00 0.00 176.35 175.87 2hye s ALA 692 N -2.18 1.85 0.05 4.21 0.00 -0.00 -1.52 121.76 124.17 2hye s ALA 692 Ca -0.07 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.08 2hye s ALA 692 Cb -0.05 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 2hye s ALA 692 CO -0.03 -0.37 -0.24 -0.51 0.00 0.00 0.00 175.76 174.61 2hye s LEU 693 N 1.47 2.18 -0.08 0.00 1.43 0.50 -2.13 118.68 122.05 2hye s LEU 693 Ca 0.05 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 2hye s LEU 693 Cb -0.13 -1.14 0.02 0.00 0.03 0.00 0.00 46.19 44.98 2hye s LEU 693 CO -0.10 0.21 -0.06 0.00 0.23 0.00 0.00 176.35 176.62 2hye s ALA 694 N -0.83 1.01 0.02 4.21 0.00 -0.85 -0.43 121.76 124.89 2hye s ALA 694 Ca 0.10 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.75 2hye s ALA 694 Cb -0.09 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.35 2hye s ALA 694 CO 0.02 -0.21 0.00 0.27 0.00 0.00 0.00 175.76 175.84 2hye n ASN 695 N 4.52 0.00 0.07 0.00 0.23 -0.94 -1.77 115.26 117.37 2hye n ASN 695 Ca -0.17 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.00 2hye n ASN 695 Cb 0.51 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.41 2hye n ASN 695 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2hye n ASN 696 N 0.00 0.72 -0.01 0.53 3.02 -1.26 -4.28 115.26 113.98 2hye n ASN 696 Ca 0.00 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 2hye n ASN 696 Cb 0.00 0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.16 2hye n ASN 696 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2hye n SER 697 N -2.13 3.99 -3.69 6.41 3.41 -1.26 -3.70 113.62 116.65 2hye n SER 697 Ca 0.04 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.50 2hye n SER 697 Cb 0.44 0.92 -0.08 0.00 -0.26 0.00 0.00 64.21 65.22 2hye n SER 697 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2hye s THR 698 N -2.21 0.02 -0.08 6.66 -4.23 -1.13 -3.14 115.64 111.54 2hye s THR 698 Ca -0.02 -0.18 -0.15 0.00 -1.18 0.00 0.00 61.69 60.16 2hye s THR 698 Cb 0.02 -0.72 -0.05 0.00 1.34 0.00 0.00 72.50 73.09 2hye s THR 698 CO 0.18 -0.10 0.37 -0.22 -0.54 0.00 0.00 174.62 174.30 2hye s LEU 699 N -0.69 4.36 -0.07 4.79 1.98 -1.00 -2.21 118.68 125.85 2hye s LEU 699 Ca -0.08 0.76 -0.05 0.00 -2.89 0.00 0.00 54.13 51.87 2hye s LEU 699 Cb -0.03 -2.51 0.02 0.00 0.66 0.00 0.00 46.19 44.33 2hye s LEU 699 CO 0.04 0.20 0.17 0.42 -1.89 0.00 0.00 176.35 175.29 2hye s THR 700 N -0.27 -0.01 0.17 3.68 -4.23 0.42 0.19 115.64 115.59 2hye s THR 700 Ca 0.21 0.04 0.07 0.00 -1.18 0.00 0.00 61.69 60.84 2hye s THR 700 Cb -0.15 -0.25 -0.04 0.00 1.34 0.00 0.00 72.50 73.40 2hye s THR 700 CO 0.09 0.02 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.55 2hye s ILE 701 N 0.37 3.68 0.00 2.99 1.09 -0.82 -0.37 121.20 128.14 2hye s ILE 701 Ca -0.02 -1.42 0.00 0.00 -1.10 0.00 0.00 60.65 58.10 2hye s ILE 701 Cb -0.04 -2.84 0.00 0.00 -1.06 0.00 0.00 42.46 38.52 2hye s ILE 701 CO -0.02 -0.10 0.00 0.61 -0.10 0.00 0.00 174.94 175.34 2hye n GLY 702 N -0.06 0.95 3.97 6.18 0.00 -0.58 -2.12 105.19 113.53 2hye n GLY 702 Ca -0.10 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.75 2hye n GLY 702 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2hye s THR 703 N -2.00 2.88 0.20 2.61 -1.32 -0.66 -1.19 115.64 116.17 2hye s THR 703 Ca 0.00 -1.11 -0.30 0.00 -1.21 0.00 0.00 61.69 59.07 2hye s THR 703 Cb 0.00 -3.00 -0.08 0.00 -1.51 0.00 0.00 72.50 67.91 2hye s THR 703 CO 0.00 0.00 1.03 -0.63 -2.21 0.00 0.00 174.62 172.81 2hye s ILE 704 N -2.39 3.95 -0.10 5.08 1.09 -1.26 0.58 121.20 128.15 2hye s ILE 704 Ca 0.53 1.79 -0.26 0.00 -1.10 0.00 0.00 60.65 61.61 2hye s ILE 704 Cb -0.08 -4.14 -0.28 0.00 -1.06 0.00 0.00 42.46 36.90 2hye s ILE 704 CO 0.31 0.36 0.82 -0.78 -0.10 0.00 0.00 174.94 175.55 2hye h ASP 705 N 4.69 0.20 -6.39 3.58 -0.00 -0.77 -3.42 116.42 114.30 2hye h ASP 705 Ca -0.45 -0.98 -0.47 0.00 -0.00 0.00 0.00 57.03 55.13 2hye h ASP 705 Cb 1.21 -0.06 0.06 0.00 -0.00 0.00 0.00 39.33 40.53 2hye h ASP 705 CO 0.70 1.17 -0.95 1.21 -0.00 0.00 0.00 179.24 181.37 2hye n GLU 706 N -4.41 -1.17 -3.27 0.28 2.13 -1.25 -4.87 120.64 108.08 2hye n GLU 706 Ca -0.12 0.37 -0.13 0.00 0.66 0.00 0.00 57.16 57.95 2hye n GLU 706 Cb 0.62 -3.83 -0.06 0.00 0.27 0.00 0.00 31.44 28.45 2hye n GLU 706 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2hye s ILE 707 N -3.52 -0.48 -0.00 6.31 1.01 -1.26 -5.02 121.20 118.23 2hye s ILE 707 Ca 0.45 -0.93 -0.31 0.00 0.00 0.00 0.00 60.65 59.85 2hye s ILE 707 Cb -0.18 -0.50 -0.16 0.00 0.01 0.00 0.00 42.46 41.63 2hye s ILE 707 CO 0.89 -0.46 0.84 0.00 0.00 0.00 0.00 174.94 176.21 2hye n GLN 708 N 4.01 0.00 -4.35 2.79 1.13 -1.25 -4.73 117.38 114.98 2hye n GLN 708 Ca 0.14 0.00 -0.19 0.00 -1.94 0.00 0.00 57.00 55.01 2hye n GLN 708 Cb 0.49 -1.17 -0.10 0.00 0.11 0.00 0.00 30.24 29.57 2hye n GLN 708 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2hye s LYS 709 N 0.03 1.57 -0.18 -1.09 1.02 -0.47 -4.94 119.74 115.68 2hye s LYS 709 Ca 0.71 -1.89 -0.09 0.00 0.02 0.00 0.00 55.97 54.72 2hye s LYS 709 Cb -1.00 -0.25 -0.05 0.00 -0.52 0.00 0.00 37.83 36.01 2hye s LYS 709 CO 0.45 -0.39 0.13 -0.51 -0.92 0.00 0.00 175.35 174.11 2hye s LEU 710 N -3.38 4.22 -0.04 3.17 1.43 -1.26 0.89 118.68 123.70 2hye s LEU 710 Ca 0.35 0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.74 2hye s LEU 710 Cb 0.06 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 2hye s LEU 710 CO 0.16 0.23 -0.05 -2.28 0.23 0.00 0.00 176.35 174.64 2hye s HIS 711 N 0.05 2.96 -0.17 0.29 2.46 0.25 -4.84 115.29 116.29 2hye s HIS 711 Ca 0.09 0.03 0.01 0.00 0.47 0.00 0.00 55.06 55.67 2hye s HIS 711 Cb -0.11 -1.69 0.02 0.00 -0.13 0.00 0.00 32.58 30.67 2hye s HIS 711 CO -0.01 0.37 -0.20 0.42 -2.47 0.00 0.00 174.74 172.86 2hye s ILE 712 N -0.90 2.08 -0.16 0.89 1.01 -1.26 -1.38 121.20 121.48 2hye s ILE 712 Ca 0.15 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.82 2hye s ILE 712 Cb -0.11 -1.86 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 2hye s ILE 712 CO 0.04 0.54 -0.04 -0.60 0.00 0.00 0.00 174.94 174.88 2hye s ARG 713 N 1.16 3.66 -0.08 2.79 3.00 -0.44 -4.92 118.95 124.12 2hye s ARG 713 Ca 0.02 -0.52 0.05 0.00 -1.00 0.00 0.00 55.73 54.27 2hye s ARG 713 Cb -0.14 -2.91 -0.00 0.00 0.00 0.00 0.00 34.95 31.90 2hye s ARG 713 CO -0.10 0.24 -0.23 -0.08 0.00 0.00 0.00 175.30 175.13 2hye s THR 714 N 0.37 1.92 -0.59 4.11 -1.32 -1.26 0.61 115.64 119.48 2hye s THR 714 Ca -0.04 -0.96 -0.00 0.00 -1.21 0.00 0.00 61.69 59.48 2hye s THR 714 Cb -0.14 -1.65 0.15 0.00 -1.51 0.00 0.00 72.50 69.35 2hye s THR 714 CO 0.03 0.53 0.38 -0.69 -2.21 0.00 0.00 174.62 172.66 2hye s VAL 715 N 0.18 3.29 0.60 5.08 1.01 -0.53 -4.98 120.40 125.04 2hye s VAL 715 Ca -0.12 -3.16 -0.18 0.00 0.00 0.00 0.00 61.98 58.53 2hye s VAL 715 Cb -0.16 -3.18 -0.12 0.00 0.00 0.00 0.00 36.38 32.92 2hye s VAL 715 CO 0.06 -0.86 0.04 -2.65 0.00 0.00 0.00 175.10 171.69 2hye n PRO 716 N 3.27 0.15 0.00 2.72 -0.02 -1.26 -2.79 135.00 137.07 2hye n PRO 716 Ca 0.07 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2hye n PRO 716 Cb 0.35 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 2hye n PRO 716 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2hye n LEU 717 N 1.79 0.00 -2.39 2.45 4.77 -0.59 -4.84 117.00 118.20 2hye n LEU 717 Ca 0.08 -0.01 -0.15 0.00 -0.03 0.00 0.00 56.01 55.91 2hye n LEU 717 Cb 0.48 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.57 2hye n LEU 717 CO 0.53 0.00 -0.19 -1.22 -1.33 0.00 0.00 177.39 175.18 2hye n TYR 718 N -0.50 -1.27 -3.64 -1.77 4.02 -1.19 -1.08 117.16 111.74 2hye n TYR 718 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.82 2hye n TYR 718 Cb 0.00 -3.08 -0.07 0.00 -0.02 0.00 0.00 39.34 36.17 2hye n TYR 718 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 2hye s GLU 719 N -4.97 0.39 0.30 -0.72 -1.05 -0.89 -4.57 118.70 107.19 2hye s GLU 719 Ca 0.00 0.46 -0.29 0.00 -0.15 0.00 0.00 54.97 54.99 2hye s GLU 719 Cb 0.00 0.19 -0.11 0.00 -0.44 0.00 0.00 34.13 33.77 2hye s GLU 719 CO 0.00 -0.05 1.51 -1.54 0.95 0.00 0.00 175.26 176.13 2hye s SER 720 N 0.20 6.48 0.04 0.83 1.04 -0.85 -4.32 113.70 117.12 2hye s SER 720 Ca 0.04 2.87 0.01 0.00 0.48 0.00 0.00 55.95 59.35 2hye s SER 720 Cb -0.05 -2.64 -0.04 0.00 0.10 0.00 0.00 66.02 63.39 2hye s SER 720 CO -0.09 -0.82 0.12 -2.16 0.98 0.00 0.00 173.24 171.27 2hye s PRO 721 N -0.88 3.12 0.00 4.02 0.04 -1.26 -1.48 135.00 138.56 2hye s PRO 721 Ca 0.59 -0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.10 2hye s PRO 721 Cb -0.45 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.21 2hye s PRO 721 CO 0.50 0.62 0.00 0.54 0.04 0.00 0.00 177.00 178.70 2hye n ARG 722 N 0.73 2.58 -3.93 4.56 5.12 -0.41 -4.83 116.66 120.48 2hye n ARG 722 Ca -0.10 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.73 2hye n ARG 722 Cb 0.52 -0.92 -0.07 0.00 -1.16 0.00 0.00 32.46 30.83 2hye n ARG 722 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2hye s LYS 723 N -1.84 1.05 -0.11 5.56 2.47 -1.22 -4.52 119.74 121.12 2hye s LYS 723 Ca 0.00 -1.11 -0.25 0.00 -1.56 0.00 0.00 55.97 53.05 2hye s LYS 723 Cb 0.00 0.36 0.06 0.00 -1.46 0.00 0.00 37.83 36.79 2hye s LYS 723 CO 0.00 -0.37 0.60 -1.50 0.16 0.00 0.00 175.35 174.24 2hye s ILE 724 N -3.94 0.01 0.13 5.43 2.07 -1.25 -1.99 121.20 121.67 2hye s ILE 724 Ca 0.13 -0.08 -0.05 0.00 -1.41 0.00 0.00 60.65 59.25 2hye s ILE 724 Cb 0.04 -0.89 -0.02 0.00 0.13 0.00 0.00 42.46 41.72 2hye s ILE 724 CO -0.03 -0.04 0.14 0.00 -1.91 0.00 0.00 174.94 173.10 2hye s TYR 726 N -3.98 2.77 -0.54 0.00 5.04 -1.26 -0.85 117.35 118.53 2hye s TYR 726 Ca 0.17 -1.55 -0.20 0.00 -2.44 0.00 0.00 57.07 53.05 2hye s TYR 726 Cb 0.06 -1.91 0.07 0.00 0.35 0.00 0.00 41.96 40.53 2hye s TYR 726 CO -0.02 -0.76 0.70 -1.14 -1.34 0.00 0.00 175.55 173.00 2hye s GLN 727 N 1.20 3.13 0.00 4.97 2.00 -0.89 -4.89 119.66 125.17 2hye s GLN 727 Ca 0.03 -0.90 0.13 0.00 -2.00 0.00 0.00 55.36 52.62 2hye s GLN 727 Cb -0.14 -4.14 0.76 0.00 0.80 0.00 0.00 33.01 30.30 2hye s GLN 727 CO -0.10 -1.36 1.24 -1.91 -0.50 0.00 0.00 175.29 172.66 2hye n GLU 728 N 6.46 0.36 -0.01 1.67 4.07 -1.26 -2.73 120.64 129.20 2hye n GLU 728 Ca -0.06 0.04 -0.02 0.00 -0.06 0.00 0.00 57.16 57.06 2hye n GLU 728 Cb 0.45 -1.50 -0.02 0.00 -0.06 0.00 0.00 31.44 30.31 2hye n GLU 728 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 2hye n VAL 729 N -1.06 0.16 1.21 6.31 0.24 -1.26 -4.57 118.33 119.36 2hye n VAL 729 Ca 0.09 -0.08 0.11 0.00 -2.04 0.00 0.00 64.34 62.41 2hye n VAL 729 Cb 0.06 -0.80 0.38 0.00 -1.47 0.00 0.00 33.84 32.00 2hye n VAL 729 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2hye n SER 730 N -2.29 1.72 -3.49 -1.34 7.64 -1.22 -4.91 113.62 109.73 2hye n SER 730 Ca -0.04 -1.71 -0.24 0.00 1.01 0.00 0.00 58.87 57.89 2hye n SER 730 Cb 0.57 -0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.65 2hye n SER 730 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hye n GLN 731 N 0.36 -2.85 -4.17 1.43 1.13 -1.10 -4.89 117.38 107.28 2hye n GLN 731 Ca 0.16 0.35 -0.10 0.00 -1.94 0.00 0.00 57.00 55.47 2hye n GLN 731 Cb 0.34 -5.00 -0.10 0.00 0.11 0.00 0.00 30.24 25.59 2hye n GLN 731 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2hye s PHE 733 N -3.86 3.28 -0.17 0.00 0.40 0.38 -2.10 117.98 115.91 2hye s PHE 733 Ca 0.19 -0.09 -0.02 0.00 -0.60 0.00 0.00 56.93 56.42 2hye s PHE 733 Cb 0.07 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 41.98 2hye s PHE 733 CO -0.01 0.38 -0.10 0.20 0.70 0.00 0.00 175.22 176.39 2hye s GLY 734 N -3.98 1.56 -0.17 4.36 0.00 -0.03 -1.01 107.32 108.06 2hye s GLY 734 Ca 0.36 -1.03 -0.04 0.00 0.00 0.00 0.00 44.72 44.01 2hye s GLY 734 CO 0.28 0.11 0.06 0.14 0.00 0.00 0.00 173.10 173.69 2hye s VAL 735 N 0.89 0.18 0.03 1.40 1.01 0.10 -0.62 120.40 123.39 2hye s VAL 735 Ca -0.02 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 2hye s VAL 735 Cb -0.15 -0.74 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 2hye s VAL 735 CO 0.00 -0.21 1.14 -0.76 0.00 0.00 0.00 175.10 175.27 2hye s LEU 736 N 2.02 4.36 0.00 3.92 1.43 -0.84 0.14 118.68 129.71 2hye s LEU 736 Ca 0.01 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 2hye s LEU 736 Cb -0.16 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.48 2hye s LEU 736 CO -0.08 -0.42 0.00 -1.54 0.23 0.00 0.00 176.35 174.53 2hye n SER 737 N 4.03 1.16 0.00 2.29 3.41 0.16 -1.28 113.62 123.38 2hye n SER 737 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2hye n SER 737 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2hye n SER 737 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2hye n SER 738 N 0.00 0.00 -4.52 4.04 2.88 -0.55 -3.56 113.62 111.91 2hye n SER 738 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 2hye n SER 738 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 2hye n SER 738 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hye s ARG 739 N 0.00 1.86 -0.14 -1.46 1.70 0.23 -2.65 118.95 118.48 2hye s ARG 739 Ca 0.00 -1.47 -0.06 0.00 -0.47 0.00 0.00 55.73 53.73 2hye s ARG 739 Cb 0.00 -1.99 -0.04 0.00 -0.57 0.00 0.00 34.95 32.36 2hye s ARG 739 CO 0.00 0.39 0.07 0.42 -1.08 0.00 0.00 175.30 175.10 2hye s ILE 740 N -1.96 4.86 0.03 4.99 1.01 -1.26 -0.65 121.20 128.23 2hye s ILE 740 Ca 0.26 -0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.93 2hye s ILE 740 Cb -0.07 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 2hye s ILE 740 CO 0.14 0.53 -0.14 -1.61 0.00 0.00 0.00 174.94 173.86 2hye s GLU 741 N -0.28 0.97 0.71 2.79 2.02 -1.08 -4.20 118.70 119.63 2hye s GLU 741 Ca 0.09 -0.74 -0.08 0.00 0.02 0.00 0.00 54.97 54.26 2hye s GLU 741 Cb -0.12 -0.98 0.16 0.00 0.10 0.00 0.00 34.13 33.28 2hye s GLU 741 CO 0.01 0.25 0.97 1.33 0.02 0.00 0.00 175.26 177.84 2hye n VAL 742 N 1.98 0.00 -4.13 2.63 0.24 -0.79 -1.93 118.33 116.33 2hye n VAL 742 Ca -0.18 -1.01 -0.34 0.00 -2.04 0.00 0.00 64.34 60.77 2hye n VAL 742 Cb 0.55 -1.34 -0.10 0.00 -1.47 0.00 0.00 33.84 31.48 2hye n VAL 742 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2hye s GLN 743 N -5.05 3.75 -0.22 7.34 2.00 -1.07 -2.78 119.66 123.64 2hye s GLN 743 Ca 0.58 -0.37 -0.03 0.00 -2.00 0.00 0.00 55.36 53.54 2hye s GLN 743 Cb -0.02 -3.10 0.07 0.00 0.80 0.00 0.00 33.01 30.76 2hye s GLN 743 CO 0.40 0.36 0.07 0.34 -0.50 0.00 0.00 175.29 175.96 2hye s ASP 744 N 0.11 3.01 0.13 6.67 2.15 -0.16 -4.45 116.67 124.13 2hye s ASP 744 Ca 0.04 -0.95 0.00 0.00 0.43 0.00 0.00 52.55 52.07 2hye s ASP 744 Cb -0.13 -0.50 0.29 0.00 -0.30 0.00 0.00 42.92 42.29 2hye s ASP 744 CO 0.01 -0.35 0.64 0.35 -0.17 0.00 0.00 175.17 175.65 2hye n THR 745 N 5.12 -0.17 0.00 1.71 -2.24 -1.26 -1.87 114.28 115.56 2hye n THR 745 Ca -0.07 0.91 0.00 0.00 -2.27 0.00 0.00 64.05 62.62 2hye n THR 745 Cb 0.46 -1.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 2hye n THR 745 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2hye n SER 746 N -4.46 0.00 -0.18 3.42 2.88 -1.26 -3.58 113.62 110.44 2hye n SER 746 Ca 0.09 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.72 2hye n SER 746 Cb 0.30 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.69 2hye n SER 746 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hye n GLY 747 N 0.00 -0.45 0.00 0.46 0.00 -1.25 -5.08 105.19 98.87 2hye n GLY 747 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2hye n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hye n GLY 748 N 1.39 -0.51 3.71 -0.02 0.00 -0.78 -5.05 105.19 103.92 2hye n GLY 748 Ca 0.05 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2hye n GLY 748 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hye s THR 749 N -2.21 4.87 0.27 2.61 -4.23 -1.26 -0.99 115.64 114.70 2hye s THR 749 Ca 0.00 2.04 0.11 0.00 -1.18 0.00 0.00 61.69 62.66 2hye s THR 749 Cb 0.00 -4.31 -0.05 0.00 1.34 0.00 0.00 72.50 69.48 2hye s THR 749 CO 0.00 0.15 -0.11 -0.89 -0.54 0.00 0.00 174.62 173.23 2hye s THR 750 N 1.08 2.91 0.00 3.99 2.01 -1.12 -4.96 115.64 119.56 2hye s THR 750 Ca 0.51 -2.17 0.00 0.00 0.31 0.00 0.00 61.69 60.34 2hye s THR 750 Cb -0.21 -2.54 0.00 0.00 0.01 0.00 0.00 72.50 69.76 2hye s THR 750 CO 0.27 -0.38 0.00 0.00 -0.69 0.00 0.00 174.62 173.82 2hye n ALA 751 N -0.72 0.00 0.00 7.40 0.00 -1.26 -1.89 120.51 124.04 2hye n ALA 751 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2hye n ALA 751 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2hye n ALA 751 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2hye n LEU 752 N 0.00 0.00 0.00 0.00 4.77 -1.26 -4.29 117.00 116.22 2hye n LEU 752 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2hye n LEU 752 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2hye n LEU 752 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.39 173.95 2hye n ARG 753 N -1.27 0.00 -0.61 3.23 1.85 -1.26 -5.14 116.66 113.45 2hye n ARG 753 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.57 2hye n ARG 753 Cb 0.11 0.00 0.25 0.00 -1.05 0.00 0.00 32.46 31.77 2hye n ARG 753 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 2hye s PRO 754 N -2.00 -0.96 0.00 2.89 0.02 -1.26 -4.99 135.00 128.69 2hye s PRO 754 Ca 0.00 0.74 0.00 0.00 0.02 0.00 0.00 61.00 61.76 2hye s PRO 754 Cb 0.00 -1.56 0.00 0.00 0.02 0.00 0.00 34.50 32.96 2hye s PRO 754 CO 0.00 -3.72 0.00 -1.13 -0.33 0.00 0.00 177.00 171.82 2hye n SER 755 N -4.90 0.00 -0.29 2.53 3.41 -1.26 -4.86 113.62 108.25 2hye n SER 755 Ca 0.03 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.60 2hye n SER 755 Cb 0.55 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.49 2hye n SER 755 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hye n ALA 756 N -0.01 -0.23 0.06 7.33 0.00 -0.24 -0.91 120.51 126.51 2hye n ALA 756 Ca 0.00 0.68 -0.06 0.00 0.00 0.00 0.00 53.44 54.07 2hye n ALA 756 Cb 0.00 -0.24 0.12 0.00 0.00 0.00 0.00 19.45 19.33 2hye n ALA 756 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2hye h SER 757 N 0.00 0.38 0.42 0.00 4.64 -1.96 -3.25 113.55 113.77 2hye h SER 757 Ca 0.20 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hye h SER 757 Cb 0.38 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2hye h SER 757 CO -0.71 0.85 -0.18 0.35 -0.87 0.00 0.00 176.83 176.27 2hye n THR 758 N -3.93 0.00 -3.35 2.95 -2.24 -0.09 -4.46 114.28 103.15 2hye n THR 758 Ca -0.02 -0.06 -0.26 0.00 -2.27 0.00 0.00 64.05 61.44 2hye n THR 758 Cb 0.58 0.01 -0.09 0.00 -2.10 0.00 0.00 70.33 68.74 2hye n THR 758 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hye n GLN 759 N -1.02 0.72 -4.42 -0.78 1.13 -0.65 -4.83 117.38 107.53 2hye n GLN 759 Ca 0.12 -3.42 -0.22 0.00 -1.94 0.00 0.00 57.00 51.54 2hye n GLN 759 Cb 0.31 -1.58 -0.09 0.00 0.11 0.00 0.00 30.24 28.99 2hye n GLN 759 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2hye s ALA 760 N -0.78 2.40 0.00 -1.58 0.00 -1.26 -4.84 121.76 115.70 2hye s ALA 760 Ca 0.34 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.71 2hye s ALA 760 Cb 0.10 0.97 0.00 0.00 0.00 0.00 0.00 23.12 24.18 2hye s ALA 760 CO -0.15 -0.43 0.00 1.28 0.00 0.00 0.00 175.76 176.46 2hye n LEU 761 N -0.74 0.00 -4.74 0.00 4.77 -0.80 -4.84 117.00 110.66 2hye n LEU 761 Ca -0.02 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.64 2hye n LEU 761 Cb 0.65 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.84 2hye n LEU 761 CO 0.36 0.00 0.72 -0.94 -1.33 0.00 0.00 177.39 176.20 2hye s SER 762 N -1.73 4.24 -0.30 -1.43 1.04 -1.12 -4.87 113.70 109.53 2hye s SER 762 Ca 0.00 2.04 -0.11 0.00 0.48 0.00 0.00 55.95 58.36 2hye s SER 762 Cb 0.00 -2.55 0.18 0.00 0.10 0.00 0.00 66.02 63.75 2hye s SER 762 CO 0.00 -2.22 0.95 -0.94 0.98 0.00 0.00 173.24 172.01 2hye s SER 763 N -2.80 -0.66 0.18 7.02 1.04 -1.26 -0.69 113.70 116.52 2hye s SER 763 Ca 0.66 0.54 0.09 0.00 0.48 0.00 0.00 55.95 57.72 2hye s SER 763 Cb -0.21 1.60 -0.04 0.00 0.10 0.00 0.00 66.02 67.47 2hye s SER 763 CO 0.51 -0.12 -0.13 -0.94 0.98 0.00 0.00 173.24 173.54 2hye s SER 764 N 2.79 4.09 0.34 7.02 1.04 -1.19 -4.93 113.70 122.87 2hye s SER 764 Ca 0.03 -0.63 0.07 0.00 0.48 0.00 0.00 55.95 55.90 2hye s SER 764 Cb -0.10 -0.63 -0.02 0.00 0.10 0.00 0.00 66.02 65.37 2hye s SER 764 CO -0.15 0.11 0.32 0.68 0.98 0.00 0.00 173.24 175.18 2hye s VAL 765 N -1.67 3.49 -0.02 5.02 -7.23 -1.26 0.11 120.40 118.85 2hye s VAL 765 Ca 0.24 -1.33 -0.30 0.00 -1.81 0.00 0.00 61.98 58.78 2hye s VAL 765 Cb -0.09 -3.19 -0.03 0.00 0.56 0.00 0.00 36.38 33.64 2hye s VAL 765 CO 0.14 -0.15 0.99 -0.55 -0.31 0.00 0.00 175.10 175.21 2hye s SER 766 N -4.03 7.35 -0.17 4.85 0.15 -1.15 -4.84 113.70 115.85 2hye s SER 766 Ca 0.42 1.64 0.00 0.00 0.70 0.00 0.00 55.95 58.72 2hye s SER 766 Cb -0.06 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 61.69 2hye s SER 766 CO 0.27 -0.29 -0.16 -0.94 1.20 0.00 0.00 173.24 173.32 2hye s SER 767 N 1.03 3.52 0.00 5.45 1.04 -1.26 -4.83 113.70 118.64 2hye s SER 767 Ca 0.51 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.41 2hye s SER 767 Cb -0.21 -1.55 0.00 0.00 0.10 0.00 0.00 66.02 64.36 2hye s SER 767 CO 0.26 0.04 0.00 -0.24 0.98 0.00 0.00 173.24 174.28 2hye n SER 768 N 4.37 0.00 -2.71 7.02 2.88 -1.26 -5.10 113.62 118.82 2hye n SER 768 Ca -0.20 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.19 2hye n SER 768 Cb 0.51 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.98 2hye n SER 768 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2hye n LYS 769 N -0.01 1.79 0.12 -1.46 5.02 -1.26 -4.82 118.16 117.53 2hye n LYS 769 Ca 0.00 -3.67 0.12 0.00 -2.02 0.00 0.00 58.31 52.75 2hye n LYS 769 Cb 0.00 -1.61 0.23 0.00 -0.02 0.00 0.00 35.03 33.63 2hye n LYS 769 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2hye h LEU 770 N 2.90 0.00 -2.93 -0.35 3.38 -2.02 -3.29 115.31 113.00 2hye h LEU 770 Ca 0.04 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2hye h LEU 770 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2hye h LEU 770 CO 0.60 0.03 0.00 0.49 0.09 0.00 0.00 178.44 179.65 2hye n PHE 771 N -2.51 0.31 0.92 1.13 3.01 -1.26 -4.54 117.46 114.53 2hye n PHE 771 Ca 0.04 -0.51 0.08 0.00 1.01 0.00 0.00 57.45 58.07 2hye n PHE 771 Cb 0.48 -0.04 0.45 0.00 -0.01 0.00 0.00 39.48 40.35 2hye n PHE 771 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2hye n SER 772 N 0.15 0.00 -0.13 4.37 7.64 -1.24 -3.78 113.62 120.63 2hye n SER 772 Ca 0.08 -0.37 -0.10 0.00 1.01 0.00 0.00 58.87 59.49 2hye n SER 772 Cb 0.38 -0.06 -0.07 0.00 -1.01 0.00 0.00 64.21 63.44 2hye n SER 772 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2hye h SER 773 N 0.00 -1.39 0.00 6.43 0.02 -1.85 -3.44 113.55 113.31 2hye h SER 773 Ca 0.00 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2hye h SER 773 Cb 0.03 0.58 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2hye h SER 773 CO 0.00 -0.28 0.00 -1.54 -1.14 0.00 0.00 176.83 173.87 2hye n SER 774 N -4.65 0.00 -2.39 3.07 3.41 -1.25 -5.11 113.62 106.71 2hye n SER 774 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.58 2hye n SER 774 Cb 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 2hye n SER 774 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2hye n THR 775 N 0.00 -6.47 -3.69 6.66 -1.04 -1.26 -5.05 114.28 103.43 2hye n THR 775 Ca 0.00 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.05 61.68 2hye n THR 775 Cb 0.00 -5.56 -0.12 0.00 -1.82 0.00 0.00 70.33 62.83 2hye n THR 775 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hye s ALA 776 N -2.84 2.28 -0.29 2.41 0.00 -1.26 -5.09 121.76 116.96 2hye s ALA 776 Ca 0.02 -2.76 -0.17 0.00 0.00 0.00 0.00 51.96 49.05 2hye s ALA 776 Cb -0.01 -1.88 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 2hye s ALA 776 CO 0.44 -2.06 0.45 -1.25 0.00 0.00 0.00 175.76 173.34 2hye s PRO 777 N 0.02 3.91 -0.95 0.00 0.04 -1.26 -5.00 135.00 131.76 2hye s PRO 777 Ca 0.21 0.05 -0.03 0.00 0.04 0.00 0.00 61.00 61.27 2hye s PRO 777 Cb -0.16 -3.70 0.23 0.00 0.04 0.00 0.00 34.50 30.90 2hye s PRO 777 CO -0.06 -0.40 2.19 0.72 0.04 0.00 0.00 177.00 179.49 2hye n HIS 778 N 5.50 2.55 -2.07 0.56 8.25 -1.26 -4.16 115.22 124.59 2hye n HIS 778 Ca -0.06 -2.44 0.00 0.00 -0.26 0.00 0.00 57.72 54.95 2hye n HIS 778 Cb 0.50 -1.38 -0.00 0.00 1.12 0.00 0.00 29.99 30.22 2hye n HIS 778 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2hye n GLU 779 N 0.43 0.00 0.12 -0.41 1.02 -1.26 -4.91 120.64 115.63 2hye n GLU 779 Ca 0.53 -0.91 0.05 0.00 -0.02 0.00 0.00 57.16 56.81 2hye n GLU 779 Cb 0.31 -0.25 0.02 0.00 -0.02 0.00 0.00 31.44 31.50 2hye n GLU 779 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hye h THR 780 N 6.41 0.48 0.00 2.62 1.03 -2.03 -3.44 112.91 117.99 2hye h THR 780 Ca -0.07 -1.75 0.00 0.00 -0.01 0.00 0.00 66.41 64.58 2hye h THR 780 Cb 1.38 2.11 0.00 0.00 -1.07 0.00 0.00 68.15 70.57 2hye h THR 780 CO -0.00 0.27 0.00 0.77 -0.01 0.00 0.00 175.52 176.55 2hye h SER 781 N 0.00 0.00 -3.73 0.00 4.64 -1.94 -3.45 113.55 109.07 2hye h SER 781 Ca -0.04 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.60 2hye h SER 781 Cb 1.30 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.21 2hye h SER 781 CO 0.04 0.00 -0.78 0.12 -0.87 0.00 0.00 176.83 175.34 2hye s PHE 782 N -3.38 2.62 -0.03 4.77 5.36 -1.26 -4.63 117.98 121.42 2hye s PHE 782 Ca 0.05 -0.22 -0.11 0.00 -0.96 0.00 0.00 56.93 55.69 2hye s PHE 782 Cb 0.07 -1.41 -0.05 0.00 -0.34 0.00 0.00 43.02 41.28 2hye s PHE 782 CO 0.60 0.37 0.32 0.41 -1.46 0.00 0.00 175.22 175.46 2hye n GLY 783 N 0.99 -0.05 3.61 13.12 0.00 -1.26 -4.82 105.19 116.78 2hye n GLY 783 Ca -0.15 0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 2hye n GLY 783 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hye s GLU 784 N 0.17 1.50 0.02 1.61 0.41 -1.26 -4.86 118.70 116.29 2hye s GLU 784 Ca 0.26 -0.70 -0.02 0.00 -0.41 0.00 0.00 54.97 54.10 2hye s GLU 784 Cb -0.36 0.60 -0.04 0.00 -1.78 0.00 0.00 34.13 32.55 2hye s GLU 784 CO 0.17 -0.67 0.21 -1.21 -0.49 0.00 0.00 175.26 173.27 2hye s GLU 785 N -3.82 3.46 -0.25 1.61 2.02 -1.26 -2.58 118.70 117.87 2hye s GLU 785 Ca 0.05 -0.33 -0.05 0.00 0.02 0.00 0.00 54.97 54.66 2hye s GLU 785 Cb -0.03 -3.06 0.13 0.00 0.10 0.00 0.00 34.13 31.27 2hye s GLU 785 CO -0.04 0.64 0.48 0.08 0.02 0.00 0.00 175.26 176.44 2hye s VAL 786 N -1.40 -0.76 0.19 2.63 1.01 -0.81 -4.94 120.40 116.30 2hye s VAL 786 Ca 0.31 0.03 -0.31 0.00 0.00 0.00 0.00 61.98 62.01 2hye s VAL 786 Cb -0.13 -0.84 -0.10 0.00 0.00 0.00 0.00 36.38 35.32 2hye s VAL 786 CO 0.22 -0.02 1.50 -1.61 0.00 0.00 0.00 175.10 175.19 2hye s GLU 787 N 2.69 4.25 -0.17 2.72 2.02 -1.26 -2.65 118.70 126.30 2hye s GLU 787 Ca 0.07 2.30 0.01 0.00 0.02 0.00 0.00 54.97 57.37 2hye s GLU 787 Cb -0.14 -3.15 0.02 0.00 0.10 0.00 0.00 34.13 30.96 2hye s GLU 787 CO -0.16 -0.52 -0.19 0.08 0.02 0.00 0.00 175.26 174.49 2hye s VAL 788 N 0.72 1.93 -0.12 2.63 1.01 0.18 -4.60 120.40 122.15 2hye s VAL 788 Ca 0.65 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 2hye s VAL 788 Cb -0.42 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 2hye s VAL 788 CO 0.35 0.52 0.05 -1.00 0.00 0.00 0.00 175.10 175.02 2hye s HIS 789 N 1.29 3.28 0.35 5.22 3.76 -1.26 -0.60 115.29 127.34 2hye s HIS 789 Ca 0.04 0.22 0.06 0.00 -0.15 0.00 0.00 55.06 55.23 2hye s HIS 789 Cb -0.13 -1.91 -0.07 0.00 1.11 0.00 0.00 32.58 31.58 2hye s HIS 789 CO -0.11 0.43 0.01 -0.80 -0.85 0.00 0.00 174.74 173.42 2hye s ASN 790 N -0.54 3.13 -0.15 1.40 0.01 -1.23 -2.46 114.94 115.09 2hye s ASN 790 Ca 0.10 -1.33 0.01 0.00 -0.71 0.00 0.00 52.86 50.93 2hye s ASN 790 Cb -0.12 -0.24 -0.00 0.00 0.41 0.00 0.00 41.25 41.30 2hye s ASN 790 CO 0.02 -0.47 -0.16 -0.22 -1.51 0.00 0.00 177.10 174.76 2hye s LEU 791 N -3.58 2.47 -0.16 0.60 2.96 -0.60 -0.67 118.68 119.71 2hye s LEU 791 Ca 0.35 -0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 53.77 2hye s LEU 791 Cb 0.08 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 2hye s LEU 791 CO 0.16 0.10 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.45 2hye s LEU 792 N 0.74 2.93 -0.25 -0.68 1.43 0.12 -2.49 118.68 120.48 2hye s LEU 792 Ca -0.07 -0.28 -0.10 0.00 -1.03 0.00 0.00 54.13 52.65 2hye s LEU 792 Cb -0.16 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 2hye s LEU 792 CO 0.01 0.13 0.16 -0.63 0.23 0.00 0.00 176.35 176.25 2hye s ILE 793 N 0.59 5.27 -0.04 -0.59 -1.09 -0.88 -0.72 121.20 123.74 2hye s ILE 793 Ca -0.05 0.15 0.06 0.00 -2.23 0.00 0.00 60.65 58.58 2hye s ILE 793 Cb -0.15 -3.47 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 2hye s ILE 793 CO 0.03 0.33 -0.24 -0.63 -1.23 0.00 0.00 174.94 173.20 2hye s ILE 794 N 1.24 2.20 -0.07 2.92 1.01 -0.18 -1.79 121.20 126.52 2hye s ILE 794 Ca 0.07 -1.03 -0.30 0.00 0.00 0.00 0.00 60.65 59.39 2hye s ILE 794 Cb -0.14 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 2hye s ILE 794 CO 0.06 0.58 1.41 -0.62 0.00 0.00 0.00 174.94 176.37 2hye s ASP 795 N -0.41 6.84 0.26 3.58 3.68 -0.99 0.14 116.67 129.77 2hye s ASP 795 Ca 0.04 1.99 -0.06 0.00 2.13 0.00 0.00 52.55 56.65 2hye s ASP 795 Cb -0.12 -2.55 0.48 0.00 -1.45 0.00 0.00 42.92 39.29 2hye s ASP 795 CO 0.01 -0.78 1.62 -0.61 0.13 0.00 0.00 175.17 175.54 2hye h GLN 796 N 8.40 0.08 0.01 4.34 4.15 -1.48 0.44 115.11 131.05 2hye h GLN 796 Ca -0.34 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.07 2hye h GLN 796 Cb 1.15 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.82 2hye h GLN 796 CO 0.94 0.05 -0.01 0.45 -1.93 0.00 0.00 178.83 178.33 2hye h HIS 797 N 0.08 -0.02 0.00 3.99 -0.00 -1.92 -3.40 115.15 113.89 2hye h HIS 797 Ca 0.44 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.81 2hye h HIS 797 Cb 0.79 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.21 2hye h HIS 797 CO -0.46 0.48 -1.14 0.25 -0.00 0.00 0.00 177.93 177.06 2hye n THR 798 N -4.71 0.32 -3.44 2.45 -2.24 -1.20 -4.87 114.28 100.58 2hye n THR 798 Ca -0.05 -0.39 -0.24 0.00 -2.27 0.00 0.00 64.05 61.10 2hye n THR 798 Cb 0.24 -0.04 0.07 0.00 -2.10 0.00 0.00 70.33 68.50 2hye n THR 798 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2hye n PHE 799 N -2.27 -2.62 -3.77 4.78 3.01 0.15 -4.99 117.46 111.75 2hye n PHE 799 Ca 0.00 0.87 -0.32 0.00 1.01 0.00 0.00 57.45 59.02 2hye n PHE 799 Cb 0.50 -4.87 -0.05 0.00 -0.01 0.00 0.00 39.48 35.05 2hye n PHE 799 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 2hye s GLU 800 N -6.15 3.55 -0.89 -1.08 -1.05 -1.26 -4.84 118.70 106.98 2hye s GLU 800 Ca 0.51 -0.21 -0.25 0.00 -0.15 0.00 0.00 54.97 54.87 2hye s GLU 800 Cb -0.23 -2.95 0.03 0.00 -0.44 0.00 0.00 34.13 30.54 2hye s GLU 800 CO 0.63 0.54 1.50 0.08 0.95 0.00 0.00 175.26 178.97 2hye s VAL 801 N -1.55 3.76 0.00 1.83 1.01 -1.26 -2.34 120.40 121.84 2hye s VAL 801 Ca 0.37 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2hye s VAL 801 Cb -0.13 -4.79 0.00 0.00 0.00 0.00 0.00 36.38 31.47 2hye s VAL 801 CO 0.25 -1.70 0.80 0.18 0.00 0.00 0.00 175.10 174.62 2hye n LEU 802 N 10.03 0.00 -4.42 3.92 4.77 -0.74 -2.95 117.00 127.61 2hye n LEU 802 Ca 0.25 0.80 -0.30 0.00 -0.03 0.00 0.00 56.01 56.72 2hye n LEU 802 Cb 0.50 -0.30 -0.13 0.00 -2.33 0.00 0.00 43.42 41.16 2hye n LEU 802 CO 0.67 -0.30 -0.52 -2.28 -1.33 0.00 0.00 177.39 173.63 2hye s HIS 803 N -2.19 2.46 -0.56 -1.77 5.04 -1.22 -1.90 115.29 115.15 2hye s HIS 803 Ca 0.00 -0.32 0.04 0.00 -1.54 0.00 0.00 55.06 53.25 2hye s HIS 803 Cb 0.00 -1.40 0.16 0.00 0.04 0.00 0.00 32.58 31.38 2hye s HIS 803 CO 0.00 0.25 0.39 0.00 -2.34 0.00 0.00 174.74 173.04 2hye s ALA 804 N -0.95 2.77 -0.36 1.58 0.00 0.13 -2.08 121.76 122.85 2hye s ALA 804 Ca 0.14 -3.18 -0.29 0.00 0.00 0.00 0.00 51.96 48.64 2hye s ALA 804 Cb -0.10 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.07 2hye s ALA 804 CO 0.05 -2.05 1.47 -1.58 0.00 0.00 0.00 175.76 173.65 2hye s HIS 805 N -0.63 2.33 0.76 0.00 5.04 -1.04 -3.16 115.29 118.59 2hye s HIS 805 Ca 0.26 0.68 -0.11 0.00 -1.54 0.00 0.00 55.06 54.35 2hye s HIS 805 Cb -0.06 -4.19 0.05 0.00 0.04 0.00 0.00 32.58 28.42 2hye s HIS 805 CO -0.14 -2.17 1.13 -1.14 -2.34 0.00 0.00 174.74 170.07 2hye s GLN 806 N 4.90 2.31 0.32 2.88 0.74 0.31 -1.55 119.66 129.56 2hye s GLN 806 Ca 0.64 0.18 0.10 0.00 0.05 0.00 0.00 55.36 56.33 2hye s GLN 806 Cb -0.16 -2.01 -0.06 0.00 1.10 0.00 0.00 33.01 31.88 2hye s GLN 806 CO 0.31 -1.34 -0.11 -0.06 -0.55 0.00 0.00 175.29 173.54 2hye s PHE 807 N -3.45 2.41 0.27 1.67 0.40 -1.03 -2.94 117.98 115.31 2hye s PHE 807 Ca 0.60 -0.42 -0.29 0.00 -0.60 0.00 0.00 56.93 56.22 2hye s PHE 807 Cb -0.11 -1.27 -0.14 0.00 0.51 0.00 0.00 43.02 42.02 2hye s PHE 807 CO 0.49 0.61 1.18 1.28 0.70 0.00 0.00 175.22 179.48 2hye n LEU 808 N -0.77 2.41 -4.46 -0.37 4.77 -1.26 -4.79 117.00 112.52 2hye n LEU 808 Ca -0.05 1.17 -0.38 0.00 -0.03 0.00 0.00 56.01 56.72 2hye n LEU 808 Cb 0.62 -1.35 0.03 0.00 -2.33 0.00 0.00 43.42 40.40 2hye n LEU 808 CO 0.42 -0.99 0.04 1.67 -1.33 0.00 0.00 177.39 177.19 2hye n GLN 809 N 1.14 0.50 -2.00 3.23 7.27 -1.26 -1.34 117.38 124.92 2hye n GLN 809 Ca 0.10 0.20 -0.15 0.00 0.07 0.00 0.00 57.00 57.21 2hye n GLN 809 Cb 0.31 -1.66 -0.03 0.00 2.41 0.00 0.00 30.24 31.27 2hye n GLN 809 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2hye n ASN 810 N 0.62 -4.34 -4.47 1.69 5.03 -1.26 -4.95 115.26 107.58 2hye n ASN 810 Ca 0.11 0.23 -0.33 0.00 0.87 0.00 0.00 54.58 55.47 2hye n ASN 810 Cb 0.47 -3.79 -0.13 0.00 -1.02 0.00 0.00 39.78 35.31 2hye n ASN 810 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2hye s GLU 811 N -4.28 2.82 -0.03 3.52 2.12 -0.45 -1.99 118.70 120.42 2hye s GLU 811 Ca 0.00 -0.66 0.04 0.00 0.36 0.00 0.00 54.97 54.70 2hye s GLU 811 Cb 0.00 -2.50 -0.03 0.00 0.26 0.00 0.00 34.13 31.86 2hye s GLU 811 CO 0.00 0.51 -0.12 0.71 -0.54 0.00 0.00 175.26 175.82 2hye s TYR 812 N -0.42 2.76 -0.10 5.30 4.12 -0.68 -4.10 117.35 124.24 2hye s TYR 812 Ca 0.05 -0.11 -0.08 0.00 0.02 0.00 0.00 57.07 56.94 2hye s TYR 812 Cb -0.12 -1.62 -0.04 0.00 -1.52 0.00 0.00 41.96 38.66 2hye s TYR 812 CO 0.02 0.26 0.18 0.00 0.02 0.00 0.00 175.55 176.03 2hye s ALA 813 N -0.83 3.85 0.00 3.71 0.00 -1.26 -1.67 121.76 125.56 2hye s ALA 813 Ca 0.13 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2hye s ALA 813 Cb -0.11 -2.04 0.00 0.00 0.00 0.00 0.00 23.12 20.97 2hye s ALA 813 CO 0.03 0.59 0.00 1.28 0.00 0.00 0.00 175.76 177.66 2hye n LEU 814 N 1.99 0.00 -4.61 0.00 4.77 0.01 -4.99 117.00 114.17 2hye n LEU 814 Ca -0.19 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.51 2hye n LEU 814 Cb 0.55 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.54 2hye n LEU 814 CO 0.32 0.04 -0.27 -0.44 -1.33 0.00 0.00 177.39 175.70 2hye s SER 815 N 0.00 3.59 0.00 -1.43 0.01 -0.31 -4.72 113.70 110.83 2hye s SER 815 Ca 0.00 -1.45 0.00 0.00 1.31 0.00 0.00 55.95 55.81 2hye s SER 815 Cb 0.00 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.15 2hye s SER 815 CO 0.00 -0.60 0.00 -0.11 0.41 0.00 0.00 173.24 172.94 2hye n LEU 816 N -0.98 0.00 -3.57 2.44 7.94 -1.26 -3.54 117.00 118.03 2hye n LEU 816 Ca -0.08 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.71 2hye n LEU 816 Cb 0.67 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.56 2hye n LEU 816 CO 0.45 0.00 0.71 0.54 -1.11 0.00 0.00 177.39 177.98 2hye s VAL 817 N -0.79 0.00 -0.20 1.96 0.11 -0.93 -4.91 120.40 115.65 2hye s VAL 817 Ca 0.00 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 2hye s VAL 817 Cb 0.00 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.88 2hye s VAL 817 CO 0.00 0.00 -0.18 -0.55 -3.33 0.00 0.00 175.10 171.04 2hye s SER 818 N -1.06 3.40 0.19 3.54 0.15 -1.26 -1.53 113.70 117.12 2hye s SER 818 Ca -0.03 -0.77 -0.05 0.00 0.70 0.00 0.00 55.95 55.80 2hye s SER 818 Cb -0.01 -1.50 0.02 0.00 -1.71 0.00 0.00 66.02 62.82 2hye s SER 818 CO 0.03 -0.03 0.34 0.00 1.20 0.00 0.00 173.24 174.77 2hye s LYS 820 N -2.16 1.99 0.16 0.00 1.02 -1.26 -2.39 119.74 117.10 2hye s LYS 820 Ca 0.10 -0.67 0.11 0.00 0.02 0.00 0.00 55.97 55.53 2hye s LYS 820 Cb -0.02 -1.70 -0.04 0.00 -0.52 0.00 0.00 37.83 35.55 2hye s LYS 820 CO 0.07 0.25 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.99 2hye s LEU 821 N 0.05 2.38 0.00 3.17 1.43 -1.26 -4.58 118.68 119.87 2hye s LEU 821 Ca -0.05 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.25 2hye s LEU 821 Cb -0.13 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 44.89 2hye s LEU 821 CO 0.03 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.37 2hye n GLY 822 N 0.62 3.02 0.61 -3.19 0.00 -1.17 -1.85 105.19 103.23 2hye n GLY 822 Ca -0.15 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 45.93 2hye n GLY 822 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hye n LYS 823 N 14.00 1.61 -1.76 1.61 4.01 -1.26 -4.95 118.16 131.42 2hye n LYS 823 Ca 0.00 -1.32 -0.43 0.00 -0.51 0.00 0.00 58.31 56.05 2hye n LYS 823 Cb 0.00 -1.35 -0.03 0.00 -0.51 0.00 0.00 35.03 33.14 2hye n LYS 823 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2hye s ASP 824 N -1.79 5.75 0.35 4.39 -1.08 -0.77 -4.89 116.67 118.63 2hye s ASP 824 Ca 0.19 1.80 0.26 0.00 -0.52 0.00 0.00 52.55 54.29 2hye s ASP 824 Cb 0.15 -2.52 1.20 0.00 -1.46 0.00 0.00 42.92 40.30 2hye s ASP 824 CO 0.33 -1.74 1.80 -0.65 0.52 0.00 0.00 175.17 175.42 2hye h PRO 825 N 13.67 0.00 0.00 4.34 0.11 -1.92 -3.37 132.00 144.82 2hye h PRO 825 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2hye h PRO 825 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2hye h PRO 825 CO 0.98 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.86 2hye n ASN 826 N -2.45 0.00 -3.15 -2.05 3.02 -1.26 -5.07 115.26 104.30 2hye n ASN 826 Ca 0.01 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.60 2hye n ASN 826 Cb 0.19 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.35 2hye n ASN 826 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2hye s THR 827 N 0.00 -0.81 0.36 3.41 2.01 -1.26 -4.75 115.64 114.60 2hye s THR 827 Ca 0.00 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.08 2hye s THR 827 Cb 0.00 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 2hye s THR 827 CO 0.00 0.00 0.16 -0.31 -0.69 0.00 0.00 174.62 173.78 2hye s TYR 828 N 2.88 2.67 -0.60 4.92 1.51 -1.00 -4.64 117.35 123.09 2hye s TYR 828 Ca 0.15 -0.44 -0.08 0.00 -1.01 0.00 0.00 57.07 55.69 2hye s TYR 828 Cb -0.13 -1.75 0.16 0.00 -0.11 0.00 0.00 41.96 40.13 2hye s TYR 828 CO -0.19 0.28 0.46 -0.06 -1.11 0.00 0.00 175.55 174.93 2hye s PHE 829 N -2.48 3.50 -0.25 2.71 0.08 -0.87 -2.93 117.98 117.75 2hye s PHE 829 Ca 0.39 -2.21 -0.19 0.00 0.12 0.00 0.00 56.93 55.04 2hye s PHE 829 Cb -0.01 -3.46 -0.03 0.00 -0.57 0.00 0.00 43.02 38.96 2hye s PHE 829 CO 0.23 -0.94 0.55 0.42 -0.10 0.00 0.00 175.22 175.37 2hye s ILE 830 N 0.60 5.05 0.21 0.64 1.01 -0.58 -0.95 121.20 127.18 2hye s ILE 830 Ca 0.12 0.96 0.04 0.00 0.00 0.00 0.00 60.65 61.77 2hye s ILE 830 Cb -0.21 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 2hye s ILE 830 CO -0.04 0.08 0.33 -0.69 0.00 0.00 0.00 174.94 174.62 2hye s VAL 831 N 2.27 5.26 -0.07 2.92 1.01 0.01 -2.19 120.40 129.62 2hye s VAL 831 Ca 0.23 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 2hye s VAL 831 Cb -0.16 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.45 2hye s VAL 831 CO 0.09 -0.24 -0.02 -0.83 0.00 0.00 0.00 175.10 174.10 2hye s GLY 832 N -3.69 0.49 0.00 4.51 0.00 -1.23 -2.49 107.32 104.90 2hye s GLY 832 Ca 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.93 2hye s GLY 832 CO 0.29 0.91 0.00 -1.30 0.00 0.00 0.00 173.10 173.00 2hye n THR 833 N 4.80 0.00 -3.64 0.90 -2.24 -0.28 -0.81 114.28 113.02 2hye n THR 833 Ca -0.13 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.55 2hye n THR 833 Cb 0.50 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 2hye n THR 833 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hye s ALA 834 N -2.00 -1.92 -0.42 6.98 0.00 -0.67 -2.04 121.76 121.70 2hye s ALA 834 Ca 0.00 1.95 -0.25 0.00 0.00 0.00 0.00 51.96 53.66 2hye s ALA 834 Cb 0.00 -1.37 0.02 0.00 0.00 0.00 0.00 23.12 21.77 2hye s ALA 834 CO 0.00 -0.28 0.91 1.41 0.00 0.00 0.00 175.76 177.81 2hye s MET 835 N 0.35 3.67 -0.15 0.00 1.75 0.23 -1.68 119.30 123.48 2hye s MET 835 Ca 0.01 0.33 -0.05 0.00 -1.25 0.00 0.00 55.69 54.73 2hye s MET 835 Cb -0.05 -3.87 -0.04 0.00 2.84 0.00 0.00 34.83 33.71 2hye s MET 835 CO -0.05 -1.08 0.05 0.08 -0.65 0.00 0.00 175.02 173.36 2hye s VAL 836 N 3.59 4.66 -0.06 10.11 1.01 -0.84 -4.50 120.40 134.37 2hye s VAL 836 Ca 0.37 -0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.22 2hye s VAL 836 Cb -0.11 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.25 2hye s VAL 836 CO 0.23 0.52 0.14 -0.31 0.00 0.00 0.00 175.10 175.68 2hye s TYR 837 N -0.15 -0.15 0.45 5.22 1.51 -1.26 -4.79 117.35 118.18 2hye s TYR 837 Ca 0.06 0.44 0.14 0.00 -1.01 0.00 0.00 57.07 56.70 2hye s TYR 837 Cb -0.12 -0.05 1.07 0.00 -0.11 0.00 0.00 41.96 42.75 2hye s TYR 837 CO 0.01 -0.14 2.04 -1.35 -1.11 0.00 0.00 175.55 175.00 2hye h PRO 838 N 6.90 0.31 0.00 -1.71 0.11 -2.00 -1.18 132.00 134.43 2hye h PRO 838 Ca -0.38 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 2hye h PRO 838 Cb 1.16 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2hye h PRO 838 CO 0.43 0.21 -0.00 1.05 -0.21 0.00 0.00 178.00 179.47 2hye h GLU 839 N 0.32 0.00 -6.43 1.05 9.09 -2.00 -3.43 114.58 113.19 2hye h GLU 839 Ca 0.19 0.00 -0.54 0.00 0.05 0.00 0.00 59.36 59.06 2hye h GLU 839 Cb 0.33 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.40 2hye h GLU 839 CO -0.04 0.00 -0.13 -1.21 0.05 0.00 0.00 179.01 177.68 2hye s GLU 840 N -3.80 3.76 0.23 1.06 2.02 -0.45 -4.98 118.70 116.54 2hye s GLU 840 Ca -0.00 0.20 0.21 0.00 0.02 0.00 0.00 54.97 55.40 2hye s GLU 840 Cb 0.10 -2.66 0.04 0.00 0.10 0.00 0.00 34.13 31.71 2hye s GLU 840 CO 0.51 0.31 1.12 0.00 0.02 0.00 0.00 175.26 177.22 2hye h ALA 841 N 2.41 0.61 -2.98 5.21 0.00 -1.83 -3.46 119.26 119.22 2hye h ALA 841 Ca -0.47 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.34 2hye h ALA 841 Cb 1.17 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 2hye h ALA 841 CO 0.69 0.15 0.23 -1.83 0.00 0.00 0.00 179.25 178.49 2hye s GLU 842 N -3.26 1.52 0.20 0.00 -1.05 -1.26 -5.15 118.70 109.70 2hye s GLU 842 Ca 0.01 -0.72 -0.30 0.00 -0.15 0.00 0.00 54.97 53.80 2hye s GLU 842 Cb 0.09 0.59 -0.08 0.00 -0.44 0.00 0.00 34.13 34.29 2hye s GLU 842 CO 0.77 -0.68 0.96 -2.14 0.95 0.00 0.00 175.26 175.11 2hye s PRO 843 N -3.82 4.80 -0.01 -4.83 0.02 -1.26 -4.93 135.00 124.96 2hye s PRO 843 Ca 0.06 1.49 0.12 0.00 0.02 0.00 0.00 61.00 62.69 2hye s PRO 843 Cb -0.03 -3.31 -0.18 0.00 0.02 0.00 0.00 34.50 31.00 2hye s PRO 843 CO -0.03 0.41 0.27 0.36 -0.33 0.00 0.00 177.00 177.68 2hye n LYS 844 N 1.89 0.55 -4.83 5.54 2.85 -1.26 -4.03 118.16 118.86 2hye n LYS 844 Ca -0.01 -0.10 -0.27 0.00 -1.05 0.00 0.00 58.31 56.88 2hye n LYS 844 Cb 0.48 -1.26 -0.15 0.00 -0.65 0.00 0.00 35.03 33.45 2hye n LYS 844 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 2hye s GLN 845 N -2.76 1.60 -0.04 -1.58 -0.21 -1.26 0.28 119.66 115.69 2hye s GLN 845 Ca -0.04 -0.94 -0.31 0.00 0.02 0.00 0.00 55.36 54.09 2hye s GLN 845 Cb 0.08 -1.68 0.12 0.00 1.00 0.00 0.00 33.01 32.53 2hye s GLN 845 CO 0.48 0.44 1.28 0.20 -2.12 0.00 0.00 175.29 175.58 2hye s GLY 846 N -1.02 -0.40 0.14 3.09 0.00 -0.62 0.77 107.32 109.27 2hye s GLY 846 Ca 0.09 0.80 -0.06 0.00 0.00 0.00 0.00 44.72 45.54 2hye s GLY 846 CO 0.01 0.17 0.19 1.09 0.00 0.00 0.00 173.10 174.56 2hye s ARG 847 N -2.42 1.02 -0.63 2.90 1.70 -1.25 -2.19 118.95 118.08 2hye s ARG 847 Ca 0.14 -1.22 0.01 0.00 -0.47 0.00 0.00 55.73 54.19 2hye s ARG 847 Cb 0.04 0.32 0.16 0.00 -0.57 0.00 0.00 34.95 34.91 2hye s ARG 847 CO -0.04 -0.34 0.42 0.42 -1.08 0.00 0.00 175.30 174.69 2hye s ILE 848 N -3.97 3.24 0.54 4.99 1.01 -1.23 -1.12 121.20 124.65 2hye s ILE 848 Ca 0.17 -3.43 -0.18 0.00 0.00 0.00 0.00 60.65 57.21 2hye s ILE 848 Cb 0.05 -3.14 -0.06 0.00 0.01 0.00 0.00 42.46 39.32 2hye s ILE 848 CO -0.02 -0.90 1.05 -0.69 0.00 0.00 0.00 174.94 174.38 2hye s VAL 849 N -0.54 3.83 -0.10 2.92 1.01 -1.04 -3.07 120.40 123.40 2hye s VAL 849 Ca 0.20 1.00 0.00 0.00 0.00 0.00 0.00 61.98 63.18 2hye s VAL 849 Cb -0.18 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.79 2hye s VAL 849 CO -0.05 -0.38 -0.09 -0.69 0.00 0.00 0.00 175.10 173.89 2hye s VAL 850 N -2.22 1.07 0.45 2.92 1.01 -1.14 -0.81 120.40 121.68 2hye s VAL 850 Ca 0.65 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.29 2hye s VAL 850 Cb -0.16 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.19 2hye s VAL 850 CO 0.28 0.36 0.10 0.49 0.00 0.00 0.00 175.10 176.33 2hye n PHE 851 N 4.57 0.55 -3.65 5.22 3.01 -0.12 -0.84 117.46 126.19 2hye n PHE 851 Ca -0.16 -2.14 -0.07 0.00 1.01 0.00 0.00 57.45 56.10 2hye n PHE 851 Cb 0.51 -0.32 -0.07 0.00 -0.01 0.00 0.00 39.48 39.58 2hye n PHE 851 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 2hye s GLN 852 N -3.70 0.63 -0.87 -1.08 0.74 -1.23 -2.05 119.66 112.11 2hye s GLN 852 Ca 0.07 1.20 -0.19 0.00 0.05 0.00 0.00 55.36 56.49 2hye s GLN 852 Cb -0.01 0.23 0.12 0.00 1.10 0.00 0.00 33.01 34.46 2hye s GLN 852 CO 0.05 -0.16 1.07 -0.47 -0.55 0.00 0.00 175.29 175.23 2hye s TYR 853 N 1.83 3.07 -0.01 1.67 5.04 -1.26 -0.96 117.35 126.73 2hye s TYR 853 Ca -0.09 -1.27 -0.07 0.00 -2.44 0.00 0.00 57.07 53.20 2hye s TYR 853 Cb -0.07 -4.26 -0.04 0.00 0.35 0.00 0.00 41.96 37.95 2hye s TYR 853 CO -0.19 -1.49 0.59 1.03 -1.34 0.00 0.00 175.55 174.15 2hye h SER 854 N 8.92 -0.21 -0.84 4.32 0.87 -1.79 -3.48 113.55 121.35 2hye h SER 854 Ca 0.07 0.01 0.20 0.00 -1.23 0.00 0.00 61.79 60.85 2hye h SER 854 Cb 1.03 0.05 -0.26 0.00 -0.44 0.00 0.00 62.40 62.79 2hye h SER 854 CO 1.11 -0.05 0.39 -1.81 -0.53 0.00 0.00 176.83 175.93 2hye s ASP 855 N -3.36 -0.35 0.00 6.23 1.11 -1.26 -4.93 116.67 114.12 2hye s ASP 855 Ca -0.04 0.48 0.00 0.00 0.18 0.00 0.00 52.55 53.18 2hye s ASP 855 Cb 0.00 1.37 0.00 0.00 1.07 0.00 0.00 42.92 45.36 2hye s ASP 855 CO 0.11 -0.07 0.00 0.61 1.18 0.00 0.00 175.17 177.00 2hye n GLY 856 N 4.61 2.09 3.55 0.21 0.00 -1.26 -4.87 105.19 109.53 2hye n GLY 856 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 2hye n GLY 856 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hye s LYS 857 N 0.00 1.43 0.73 1.61 -2.85 -1.26 -4.59 119.74 114.80 2hye s LYS 857 Ca 0.00 -0.99 -0.09 0.00 -1.00 0.00 0.00 55.97 53.89 2hye s LYS 857 Cb 0.00 0.50 0.05 0.00 -2.06 0.00 0.00 37.83 36.33 2hye s LYS 857 CO 0.00 -0.60 1.07 -0.51 0.10 0.00 0.00 175.35 175.40 2hye s LEU 858 N -2.92 2.78 -0.33 2.77 1.43 -1.26 -2.28 118.68 118.87 2hye s LEU 858 Ca 0.13 0.70 0.06 0.00 -1.03 0.00 0.00 54.13 53.99 2hye s LEU 858 Cb -0.01 -3.34 0.19 0.00 0.03 0.00 0.00 46.19 43.06 2hye s LEU 858 CO 0.01 -1.59 0.59 -1.58 0.23 0.00 0.00 176.35 174.00 2hye s GLN 859 N -5.34 0.63 -0.88 1.70 2.00 -0.13 -4.86 119.66 112.77 2hye s GLN 859 Ca 0.60 0.26 -0.21 0.00 -2.00 0.00 0.00 55.36 54.01 2hye s GLN 859 Cb -0.11 0.15 -0.23 0.00 0.80 0.00 0.00 33.01 33.63 2hye s GLN 859 CO 0.47 -1.09 2.40 2.41 -0.50 0.00 0.00 175.29 178.98 2hye n THR 860 N 5.11 -0.01 0.00 -0.34 -1.04 -1.26 -3.49 114.28 113.24 2hye n THR 860 Ca 0.07 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 2hye n THR 860 Cb 0.54 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 68.11 2hye n THR 860 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2hye n VAL 861 N 7.09 0.00 -2.11 12.58 0.31 -0.02 -4.94 118.33 131.24 2hye n VAL 861 Ca 0.59 0.25 -0.28 0.00 -0.01 0.00 0.00 64.34 64.89 2hye n VAL 861 Cb 0.22 -0.60 0.15 0.00 -0.91 0.00 0.00 33.84 32.70 2hye n VAL 861 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hye s ALA 862 N -3.30 2.69 -0.31 3.52 0.00 -1.22 -4.96 121.76 118.18 2hye s ALA 862 Ca 0.00 -1.27 -0.05 0.00 0.00 0.00 0.00 51.96 50.64 2hye s ALA 862 Cb 0.00 -2.59 0.26 0.00 0.00 0.00 0.00 23.12 20.78 2hye s ALA 862 CO 0.00 -2.06 1.23 -1.91 0.00 0.00 0.00 175.76 173.02 2hye n GLU 863 N -3.45 0.05 -1.40 0.00 0.00 -1.26 -2.86 120.64 111.71 2hye n GLU 863 Ca 0.14 -0.59 -0.30 0.00 0.00 0.00 0.00 57.16 56.41 2hye n GLU 863 Cb 0.60 0.07 0.21 0.00 0.00 0.00 0.00 31.44 32.32 2hye n GLU 863 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2hye s LYS 864 N 0.39 -0.35 0.12 5.31 2.47 -1.18 -4.96 119.74 121.55 2hye s LYS 864 Ca 0.24 -0.13 0.03 0.00 -1.56 0.00 0.00 55.97 54.55 2hye s LYS 864 Cb 0.18 -1.70 -0.04 0.00 -1.46 0.00 0.00 37.83 34.81 2hye s LYS 864 CO -0.08 -3.12 -0.07 -2.00 0.16 0.00 0.00 175.35 170.24 2hye s GLU 865 N -5.54 0.94 -0.05 4.03 2.12 -1.26 -3.56 118.70 115.39 2hye s GLU 865 Ca 0.71 -1.40 -0.29 0.00 0.36 0.00 0.00 54.97 54.35 2hye s GLU 865 Cb -0.09 -0.34 0.11 0.00 0.26 0.00 0.00 34.13 34.07 2hye s GLU 865 CO 0.55 -0.01 0.89 0.54 -0.54 0.00 0.00 175.26 176.69 2hye s VAL 866 N -3.54 0.00 -0.80 3.70 0.11 -0.93 -4.89 120.40 114.05 2hye s VAL 866 Ca 0.15 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.03 2hye s VAL 866 Cb 0.05 -1.00 0.16 0.00 -1.53 0.00 0.00 36.38 34.05 2hye s VAL 866 CO -0.02 0.00 0.88 -0.54 -3.33 0.00 0.00 175.10 172.09 2hye s LYS 867 N -2.41 3.45 0.00 1.54 1.02 -1.25 -1.60 119.74 120.49 2hye s LYS 867 Ca 0.01 -1.92 0.00 0.00 0.02 0.00 0.00 55.97 54.09 2hye s LYS 867 Cb -0.01 -4.56 0.00 0.00 -0.52 0.00 0.00 37.83 32.74 2hye s LYS 867 CO -0.05 -1.53 0.00 0.41 -0.92 0.00 0.00 175.35 173.27 2hye n GLY 868 N 4.86 3.03 3.51 -3.33 0.00 0.14 -4.71 105.19 108.69 2hye n GLY 868 Ca 0.11 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 2hye n GLY 868 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hye n ALA 869 N -0.65 -0.83 -3.63 4.61 0.00 -1.26 -4.11 120.51 114.64 2hye n ALA 869 Ca 0.00 0.16 -0.37 0.00 0.00 0.00 0.00 53.44 53.23 2hye n ALA 869 Cb 0.00 -1.90 -0.07 0.00 0.00 0.00 0.00 19.45 17.49 2hye n ALA 869 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2hye s VAL 870 N -1.43 4.37 0.57 0.00 1.01 -0.86 -3.46 120.40 120.59 2hye s VAL 870 Ca 0.65 -3.64 0.27 0.00 0.00 0.00 0.00 61.98 59.26 2hye s VAL 870 Cb -0.56 -3.73 0.38 0.00 0.00 0.00 0.00 36.38 32.47 2hye s VAL 870 CO 0.56 -1.05 2.01 1.88 0.00 0.00 0.00 175.10 178.50 2hye h TYR 871 N 6.28 0.00 -1.02 5.22 -1.99 -1.46 -3.38 116.97 120.63 2hye h TYR 871 Ca 0.13 0.00 0.22 0.00 2.00 0.00 0.00 58.73 61.08 2hye h TYR 871 Cb 0.85 0.00 -0.32 0.00 2.00 0.00 0.00 36.73 39.26 2hye h TYR 871 CO 0.73 0.00 0.94 -1.54 -0.00 0.00 0.00 178.16 178.30 2hye s SER 872 N -5.81 -0.01 0.29 3.88 1.04 -1.24 -4.72 113.70 107.13 2hye s SER 872 Ca -0.05 0.02 0.03 0.00 0.48 0.00 0.00 55.95 56.44 2hye s SER 872 Cb 0.17 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 2hye s SER 872 CO 0.62 -0.01 0.17 0.00 0.98 0.00 0.00 173.24 175.00 2hye s MET 873 N -0.33 1.56 -0.29 4.02 0.23 -1.26 -1.60 119.30 121.63 2hye s MET 873 Ca 0.08 -1.88 -0.19 0.00 -1.03 0.00 0.00 55.69 52.67 2hye s MET 873 Cb -0.04 -0.01 0.18 0.00 -1.53 0.00 0.00 34.83 33.43 2hye s MET 873 CO -0.14 -0.46 1.20 0.54 -2.03 0.00 0.00 175.02 174.13 2hye s VAL 874 N -3.66 0.00 -0.20 5.16 0.11 -0.91 -4.84 120.40 116.06 2hye s VAL 874 Ca 0.37 0.00 -0.36 0.00 -2.93 0.00 0.00 61.98 59.05 2hye s VAL 874 Cb 0.05 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.77 2hye s VAL 874 CO 0.18 0.00 1.88 1.21 -3.33 0.00 0.00 175.10 175.04 2hye n GLU 875 N 2.77 1.64 -4.00 1.54 0.00 -1.26 -2.85 120.64 118.47 2hye n GLU 875 Ca -0.15 0.58 -0.31 0.00 0.00 0.00 0.00 57.16 57.28 2hye n GLU 875 Cb 0.57 -2.43 -0.15 0.00 0.00 0.00 0.00 31.44 29.43 2hye n GLU 875 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 2hye s PHE 876 N 4.44 2.80 -1.22 4.31 5.36 0.19 -4.86 117.98 129.00 2hye s PHE 876 Ca 0.98 -2.01 -0.19 0.00 -0.96 0.00 0.00 56.93 54.74 2hye s PHE 876 Cb -0.85 -1.75 0.03 0.00 -0.34 0.00 0.00 43.02 40.11 2hye s PHE 876 CO 0.56 -0.82 0.37 0.09 -1.46 0.00 0.00 175.22 173.96 2hye n ASN 877 N 4.56 -1.86 0.00 6.13 3.02 -1.26 0.53 115.26 126.38 2hye n ASN 877 Ca -0.13 -1.18 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 2hye n ASN 877 Cb 0.43 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.17 2hye n ASN 877 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hye n GLY 878 N -2.18 1.64 3.84 7.41 0.00 -1.26 -4.94 105.19 109.71 2hye n GLY 878 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2hye n GLY 878 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hye s LYS 879 N 0.00 2.07 -0.60 1.61 1.02 0.19 -3.06 119.74 120.96 2hye s LYS 879 Ca 0.00 0.43 0.00 0.00 0.02 0.00 0.00 55.97 56.42 2hye s LYS 879 Cb 0.00 -1.93 0.15 0.00 -0.52 0.00 0.00 37.83 35.53 2hye s LYS 879 CO 0.00 -1.59 0.39 -1.17 -0.92 0.00 0.00 175.35 172.06 2hye s LEU 880 N -5.69 4.88 -0.97 3.17 2.96 -0.80 -0.64 118.68 121.59 2hye s LEU 880 Ca 0.61 -3.01 -0.24 0.00 -0.22 0.00 0.00 54.13 51.28 2hye s LEU 880 Cb -0.13 -1.77 0.04 0.00 0.50 0.00 0.00 46.19 44.83 2hye s LEU 880 CO 0.52 -0.29 1.46 -0.22 -1.32 0.00 0.00 176.35 176.50 2hye s LEU 881 N -0.28 3.43 0.00 -0.68 2.96 -1.13 -2.16 118.68 120.81 2hye s LEU 881 Ca 0.18 -1.24 0.04 0.00 -0.22 0.00 0.00 54.13 52.88 2hye s LEU 881 Cb -0.21 -2.57 0.04 0.00 0.50 0.00 0.00 46.19 43.95 2hye s LEU 881 CO -0.03 -1.64 0.33 0.00 -1.32 0.00 0.00 176.35 173.70 2hye n ALA 882 N 9.30 0.52 -3.66 5.97 0.00 -0.89 -2.13 120.51 129.62 2hye n ALA 882 Ca 0.29 -0.90 -0.06 0.00 0.00 0.00 0.00 53.44 52.77 2hye n ALA 882 Cb 0.50 0.25 -0.07 0.00 0.00 0.00 0.00 19.45 20.13 2hye n ALA 882 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2hye s SER 883 N -2.53 -0.82 0.00 0.00 1.04 -0.62 -2.74 113.70 108.03 2hye s SER 883 Ca 0.25 1.34 0.00 0.00 0.48 0.00 0.00 55.95 58.02 2hye s SER 883 Cb -0.02 1.54 0.00 0.00 0.10 0.00 0.00 66.02 67.64 2hye s SER 883 CO 0.16 -0.22 0.00 -0.38 0.98 0.00 0.00 173.24 173.78 2hye n ILE 884 N 4.80 0.00 0.00 -1.02 -0.00 -0.93 -2.07 119.36 120.15 2hye n ILE 884 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.59 2hye n ILE 884 Cb 0.54 -0.10 0.00 0.00 -0.00 0.00 0.00 39.64 40.08 2hye n ILE 884 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 2hye n ASN 885 N 0.00 0.00 0.05 4.38 4.13 -1.22 -3.51 115.26 119.08 2hye n ASN 885 Ca 0.00 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.37 2hye n ASN 885 Cb 0.00 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 2hye n ASN 885 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2hye n SER 886 N -1.56 0.61 -4.86 6.41 7.64 -1.26 -1.02 113.62 119.58 2hye n SER 886 Ca 0.00 0.02 -0.33 0.00 1.01 0.00 0.00 58.87 59.57 2hye n SER 886 Cb 0.00 0.80 -0.06 0.00 -1.01 0.00 0.00 64.21 63.94 2hye n SER 886 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2hye s THR 887 N -3.29 4.79 -0.46 0.44 2.01 -1.26 -3.80 115.64 114.07 2hye s THR 887 Ca 0.01 0.76 0.03 0.00 0.31 0.00 0.00 61.69 62.80 2hye s THR 887 Cb 0.13 -3.64 0.14 0.00 0.01 0.00 0.00 72.50 69.14 2hye s THR 887 CO 0.81 -0.07 0.28 -0.69 -0.69 0.00 0.00 174.62 174.25 2hye s VAL 888 N -1.84 1.32 0.29 3.82 1.01 0.15 -2.18 120.40 122.97 2hye s VAL 888 Ca 0.49 -2.71 -0.17 0.00 0.00 0.00 0.00 61.98 59.60 2hye s VAL 888 Cb -0.11 -1.92 -0.09 0.00 0.00 0.00 0.00 36.38 34.26 2hye s VAL 888 CO 0.19 -0.97 0.74 -0.60 0.00 0.00 0.00 175.10 174.46 2hye s ARG 889 N 0.15 4.11 -0.03 2.72 6.06 -1.11 -2.87 118.95 127.98 2hye s ARG 889 Ca 0.21 0.76 0.06 0.00 -2.50 0.00 0.00 55.73 54.26 2hye s ARG 889 Cb -0.18 -2.60 -0.02 0.00 0.06 0.00 0.00 34.95 32.21 2hye s ARG 889 CO -0.05 0.24 -0.19 -1.17 -2.50 0.00 0.00 175.30 171.63 2hye s LEU 890 N -2.59 2.44 0.30 -0.88 2.96 -0.54 -2.09 118.68 118.29 2hye s LEU 890 Ca 0.50 -0.33 0.07 0.00 -0.22 0.00 0.00 54.13 54.15 2hye s LEU 890 Cb -0.13 -1.46 -0.06 0.00 0.50 0.00 0.00 46.19 45.04 2hye s LEU 890 CO 0.19 0.33 -0.05 -0.31 -1.32 0.00 0.00 176.35 175.19 2hye s TYR 891 N -0.70 2.05 0.12 5.38 1.51 -0.92 -1.58 117.35 123.20 2hye s TYR 891 Ca 0.11 -0.70 0.07 0.00 -1.01 0.00 0.00 57.07 55.54 2hye s TYR 891 Cb -0.10 -1.21 -0.04 0.00 -0.11 0.00 0.00 41.96 40.50 2hye s TYR 891 CO 0.00 0.30 -0.17 -1.21 -1.11 0.00 0.00 175.55 173.36 2hye s GLU 892 N -3.73 1.08 -0.49 -0.62 2.02 -1.22 -1.90 118.70 113.84 2hye s GLU 892 Ca 0.31 -1.20 -0.01 0.00 0.02 0.00 0.00 54.97 54.09 2hye s GLU 892 Cb 0.04 -1.16 0.13 0.00 0.10 0.00 0.00 34.13 33.25 2hye s GLU 892 CO 0.13 0.25 0.28 -0.46 0.02 0.00 0.00 175.26 175.48 2hye s TRP 893 N -1.63 3.49 0.41 1.61 -0.11 -1.26 -2.67 118.94 118.79 2hye s TRP 893 Ca 0.08 -2.71 -0.07 0.00 1.22 0.00 0.00 56.10 54.62 2hye s TRP 893 Cb -0.08 -3.12 0.11 0.00 -1.50 0.00 0.00 33.47 28.88 2hye s TRP 893 CO 0.04 -0.89 0.28 0.25 -4.62 0.00 0.00 176.95 172.02 2hye n THR 894 N 3.94 0.00 0.11 5.86 -2.24 -1.04 -4.42 114.28 116.49 2hye n THR 894 Ca 0.03 -0.05 0.08 0.00 -2.27 0.00 0.00 64.05 61.84 2hye n THR 894 Cb 0.39 -0.58 0.02 0.00 -2.10 0.00 0.00 70.33 68.05 2hye n THR 894 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2hye h THR 895 N -2.26 0.18 0.00 4.28 1.35 -1.99 -3.21 112.91 111.25 2hye h THR 895 Ca -0.12 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 2hye h THR 895 Cb 0.39 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2hye h THR 895 CO 0.07 0.10 0.00 1.21 -0.25 0.00 0.00 175.52 176.66 2hye n GLU 896 N -2.85 0.29 -2.38 4.72 4.07 -1.26 -4.93 120.64 118.30 2hye n GLU 896 Ca -0.01 0.02 -0.03 0.00 -0.06 0.00 0.00 57.16 57.07 2hye n GLU 896 Cb 0.62 -1.50 0.01 0.00 -0.06 0.00 0.00 31.44 30.52 2hye n GLU 896 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2hye n LYS 897 N -1.35 -0.91 -3.70 5.31 4.76 -1.21 -5.08 118.16 115.98 2hye n LYS 897 Ca 0.12 0.82 -0.11 0.00 -2.87 0.00 0.00 58.31 56.26 2hye n LYS 897 Cb 0.26 -3.82 -0.06 0.00 -1.84 0.00 0.00 35.03 29.57 2hye n LYS 897 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2hye s ASP 898 N -2.80 -0.19 -0.18 4.39 -0.00 -1.26 -4.70 116.67 111.93 2hye s ASP 898 Ca 0.10 -0.20 -0.05 0.00 -0.00 0.00 0.00 52.55 52.39 2hye s ASP 898 Cb -0.01 0.41 -0.03 0.00 -0.00 0.00 0.00 42.92 43.29 2hye s ASP 898 CO 0.40 -0.71 0.01 0.68 -0.00 0.00 0.00 175.17 175.55 2hye s VAL 899 N -3.01 4.20 -0.10 -1.27 -7.23 -1.26 -2.49 120.40 109.24 2hye s VAL 899 Ca -0.02 -0.24 0.01 0.00 -1.81 0.00 0.00 61.98 59.92 2hye s VAL 899 Cb 0.01 -2.88 0.02 0.00 0.56 0.00 0.00 36.38 34.08 2hye s VAL 899 CO -0.06 0.46 -0.12 0.00 -0.31 0.00 0.00 175.10 175.06 2hye s ARG 900 N 0.59 1.89 0.31 4.82 1.70 -1.09 -4.91 118.95 122.26 2hye s ARG 900 Ca -0.00 -0.44 -0.16 0.00 -0.47 0.00 0.00 55.73 54.67 2hye s ARG 900 Cb -0.14 -1.68 -0.12 0.00 -0.57 0.00 0.00 34.95 32.45 2hye s ARG 900 CO 0.02 -0.10 0.04 2.41 -1.08 0.00 0.00 175.30 176.60 2hye n THR 901 N 4.31 0.42 -1.62 4.99 -1.04 -1.26 -3.37 114.28 116.71 2hye n THR 901 Ca -0.18 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.45 2hye n THR 901 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 2hye n THR 901 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2hye n GLU 902 N 1.02 0.00 0.00 -2.82 -0.00 -0.62 -4.83 120.64 113.39 2hye n GLU 902 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.24 2hye n GLU 902 Cb 0.31 -0.19 0.00 0.00 -0.00 0.00 0.00 31.44 31.56 2hye n GLU 902 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2hye s ASN 904 N 0.00 0.26 -0.17 0.00 -0.87 -1.26 -1.46 114.94 111.44 2hye s ASN 904 Ca 0.00 -1.08 -0.04 0.00 -1.57 0.00 0.00 52.86 50.17 2hye s ASN 904 Cb 0.00 0.32 0.08 0.00 -0.02 0.00 0.00 41.25 41.63 2hye s ASN 904 CO 0.00 -0.75 0.25 -2.28 -2.57 0.00 0.00 177.10 171.75 2hye s HIS 905 N -4.01 -0.39 -1.96 2.20 5.65 -1.14 -4.65 115.29 111.00 2hye s HIS 905 Ca 0.19 0.64 0.16 0.00 0.25 0.00 0.00 55.06 56.30 2hye s HIS 905 Cb 0.06 -0.18 0.11 0.00 -1.18 0.00 0.00 32.58 31.40 2hye s HIS 905 CO -0.01 -0.48 0.99 0.66 -0.65 0.00 0.00 174.74 175.25 2hye n TYR 906 N 5.34 0.00 -1.08 3.88 4.02 -1.26 -0.67 117.16 127.38 2hye n TYR 906 Ca -0.05 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.61 2hye n TYR 906 Cb 0.50 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.71 2hye n TYR 906 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2hye n ASN 907 N 0.80 6.45 -3.80 7.72 4.05 -1.26 -4.70 115.26 124.51 2hye n ASN 907 Ca 0.09 -2.48 -0.13 0.00 0.45 0.00 0.00 54.58 52.52 2hye n ASN 907 Cb 0.40 -1.42 -0.12 0.00 1.23 0.00 0.00 39.78 39.87 2hye n ASN 907 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 2hye s ASN 908 N 2.16 -0.22 0.43 1.20 0.01 -1.25 -5.03 114.94 112.25 2hye s ASN 908 Ca 0.65 0.42 0.21 0.00 -0.71 0.00 0.00 52.86 53.43 2hye s ASN 908 Cb 0.25 0.42 0.98 0.00 0.41 0.00 0.00 41.25 43.31 2hye s ASN 908 CO -0.02 -0.08 1.88 0.40 -1.51 0.00 0.00 177.10 177.77 2hye h ILE 909 N 4.86 0.82 0.00 0.60 1.08 -1.88 -3.41 117.51 119.58 2hye h ILE 909 Ca -0.26 -1.07 0.00 0.00 -0.39 0.00 0.00 64.86 63.14 2hye h ILE 909 Cb 1.19 1.65 0.00 0.00 -3.07 0.00 0.00 36.82 36.59 2hye h ILE 909 CO 0.38 0.26 0.00 0.80 -0.69 0.00 0.00 178.15 178.90 2hye n MET 910 N -3.69 0.00 -2.87 2.37 1.56 -1.26 -4.72 117.12 108.52 2hye n MET 910 Ca -0.01 0.00 -0.43 0.00 -0.27 0.00 0.00 57.70 56.99 2hye n MET 910 Cb 0.38 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 35.71 2hye n MET 910 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2hye s ALA 911 N 0.00 3.17 -0.05 -5.12 0.00 -0.19 -2.08 121.76 117.48 2hye s ALA 911 Ca 0.00 -1.39 0.20 0.00 0.00 0.00 0.00 51.96 50.77 2hye s ALA 911 Cb 0.00 -3.73 -0.31 0.00 0.00 0.00 0.00 23.12 19.08 2hye s ALA 911 CO 0.00 -2.43 0.41 1.28 0.00 0.00 0.00 175.76 175.01 2hye n LEU 912 N 7.42 0.00 -3.90 0.00 4.77 -0.61 -4.70 117.00 119.97 2hye n LEU 912 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 2hye n LEU 912 Cb 0.47 0.06 -0.17 0.00 -2.33 0.00 0.00 43.42 41.45 2hye n LEU 912 CO 0.63 0.06 -0.42 -0.31 -1.33 0.00 0.00 177.39 176.02 2hye s TYR 913 N -3.32 1.00 0.29 -1.77 1.51 -1.10 -4.57 117.35 109.38 2hye s TYR 913 Ca -0.08 -0.35 0.10 0.00 -1.01 0.00 0.00 57.07 55.73 2hye s TYR 913 Cb 0.12 -0.86 -0.05 0.00 -0.11 0.00 0.00 41.96 41.07 2hye s TYR 913 CO 0.86 -0.28 -0.08 -0.51 -1.11 0.00 0.00 175.55 174.43 2hye s LEU 914 N 1.14 2.90 -0.28 -1.29 1.02 -1.26 -1.12 118.68 119.79 2hye s LEU 914 Ca -0.07 -0.89 -0.22 0.00 0.02 0.00 0.00 54.13 52.97 2hye s LEU 914 Cb -0.14 -1.38 0.10 0.00 0.02 0.00 0.00 46.19 44.79 2hye s LEU 914 CO -0.01 -0.04 0.85 -0.54 0.02 0.00 0.00 176.35 176.62 2hye s LYS 915 N -3.62 0.65 0.00 1.70 -0.14 -1.00 -4.96 119.74 112.37 2hye s LYS 915 Ca 0.32 0.87 0.06 0.00 -1.36 0.00 0.00 55.97 55.85 2hye s LYS 915 Cb -0.04 0.26 0.11 0.00 -1.68 0.00 0.00 37.83 36.49 2hye s LYS 915 CO 0.18 -0.09 0.94 2.41 -0.76 0.00 0.00 175.35 178.03 2hye n THR 916 N 2.96 0.55 -0.46 2.17 -1.04 -1.26 -1.22 114.28 115.98 2hye n THR 916 Ca -0.15 -0.78 -0.15 0.00 -2.04 0.00 0.00 64.05 60.93 2hye n THR 916 Cb 0.56 0.78 -0.05 0.00 -1.82 0.00 0.00 70.33 69.81 2hye n THR 916 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2hye n LYS 917 N 0.19 0.00 0.00 -2.82 3.00 -1.19 -4.41 118.16 112.93 2hye n LYS 917 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 2hye n LYS 917 Cb 0.26 -0.49 0.00 0.00 0.00 0.00 0.00 35.03 34.80 2hye n LYS 917 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hye n GLY 918 N 2.21 2.70 1.69 3.14 0.00 -1.26 -1.23 105.19 112.45 2hye n GLY 918 Ca 0.20 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 2hye n GLY 918 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hye n ASP 919 N 6.07 3.38 -4.43 1.61 8.00 -1.26 -4.76 116.55 125.17 2hye n ASP 919 Ca 0.00 -3.59 -0.33 0.00 0.71 0.00 0.00 54.79 51.57 2hye n ASP 919 Cb 0.00 -0.73 -0.13 0.00 -0.02 0.00 0.00 41.12 40.24 2hye n ASP 919 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2hye s PHE 920 N -3.21 2.90 -0.14 1.24 2.99 -0.36 -0.85 117.98 120.55 2hye s PHE 920 Ca 0.51 -0.48 0.02 0.00 0.00 0.00 0.00 56.93 56.97 2hye s PHE 920 Cb 0.44 -1.89 0.01 0.00 0.00 0.00 0.00 43.02 41.57 2hye s PHE 920 CO 0.07 -0.13 -0.20 0.42 -0.00 0.00 0.00 175.22 175.38 2hye s ILE 921 N 0.33 2.25 -0.30 0.64 1.09 -1.14 -3.16 121.20 120.90 2hye s ILE 921 Ca -0.08 -0.92 -0.10 0.00 -1.10 0.00 0.00 60.65 58.45 2hye s ILE 921 Cb -0.15 -1.91 -0.02 0.00 -1.06 0.00 0.00 42.46 39.32 2hye s ILE 921 CO 0.04 0.54 0.16 -0.22 -0.10 0.00 0.00 174.94 175.37 2hye s LEU 922 N 0.79 4.08 -0.09 2.97 2.96 -0.36 -0.83 118.68 128.20 2hye s LEU 922 Ca -0.07 -0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 53.47 2hye s LEU 922 Cb -0.16 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 2hye s LEU 922 CO -0.01 -0.16 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.11 2hye s VAL 923 N 1.66 3.70 -0.10 1.68 1.01 -0.37 -2.37 120.40 125.61 2hye s VAL 923 Ca 0.06 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.60 2hye s VAL 923 Cb -0.17 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 2hye s VAL 923 CO 0.08 0.58 -0.19 -0.83 0.00 0.00 0.00 175.10 174.73 2hye s GLY 924 N -0.53 1.43 0.22 4.51 0.00 -0.28 -0.90 107.32 111.76 2hye s GLY 924 Ca 0.08 -0.96 0.04 0.00 0.00 0.00 0.00 44.72 43.89 2hye s GLY 924 CO 0.02 -0.40 0.33 -0.35 0.00 0.00 0.00 173.10 172.71 2hye s ASP 925 N 0.11 6.29 0.31 1.64 -1.08 0.22 -1.57 116.67 122.59 2hye s ASP 925 Ca -0.09 0.08 0.05 0.00 -0.52 0.00 0.00 52.55 52.07 2hye s ASP 925 Cb -0.15 -1.85 0.68 0.00 -1.46 0.00 0.00 42.92 40.14 2hye s ASP 925 CO 0.06 -0.04 1.83 0.25 0.52 0.00 0.00 175.17 177.79 2hye h LEU 926 N 1.43 0.81 0.00 -1.34 5.85 -1.72 -3.15 115.31 117.19 2hye h LEU 926 Ca -0.51 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2hye h LEU 926 Cb 1.22 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2hye h LEU 926 CO 0.63 0.39 0.00 1.15 -0.34 0.00 0.00 178.44 180.27 2hye n MET 927 N -4.63 0.00 -0.48 1.25 0.00 -1.25 -3.73 117.12 108.27 2hye n MET 927 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 57.70 57.96 2hye n MET 927 Cb 0.45 -0.14 0.26 0.00 0.00 0.00 0.00 33.22 33.79 2hye n MET 927 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2hye n ARG 928 N 0.00 3.09 0.00 3.17 0.63 -1.24 -2.31 116.66 120.01 2hye n ARG 928 Ca 0.00 -2.03 0.00 0.00 -0.92 0.00 0.00 57.85 54.90 2hye n ARG 928 Cb 0.11 -1.78 0.00 0.00 0.45 0.00 0.00 32.46 31.24 2hye n ARG 928 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2hye n SER 929 N 0.64 -1.35 -4.95 6.15 2.88 -0.60 -4.73 113.62 111.66 2hye n SER 929 Ca 0.18 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.49 2hye n SER 929 Cb 0.72 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.17 2hye n SER 929 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2hye s VAL 930 N 0.00 4.88 -0.10 2.46 -7.23 -1.26 -0.61 120.40 118.53 2hye s VAL 930 Ca 0.00 -0.62 -0.09 0.00 -1.81 0.00 0.00 61.98 59.46 2hye s VAL 930 Cb 0.00 -3.76 0.03 0.00 0.56 0.00 0.00 36.38 33.20 2hye s VAL 930 CO 0.00 -0.45 0.27 -0.22 -0.31 0.00 0.00 175.10 174.39 2hye s LEU 931 N -4.28 0.88 -0.48 1.32 0.20 -0.08 -2.62 118.68 113.63 2hye s LEU 931 Ca 0.40 0.55 -0.12 0.00 0.69 0.00 0.00 54.13 55.65 2hye s LEU 931 Cb -0.10 0.91 0.10 0.00 -0.43 0.00 0.00 46.19 46.68 2hye s LEU 931 CO 0.35 -0.10 0.38 -0.22 -0.29 0.00 0.00 176.35 176.46 2hye s LEU 932 N 0.31 5.69 0.00 -0.68 2.96 -1.07 -1.24 118.68 124.66 2hye s LEU 932 Ca -0.01 -1.68 -0.05 0.00 -0.22 0.00 0.00 54.13 52.16 2hye s LEU 932 Cb -0.03 -2.09 0.16 0.00 0.50 0.00 0.00 46.19 44.73 2hye s LEU 932 CO -0.01 -0.69 1.05 0.18 -1.32 0.00 0.00 176.35 175.55 2hye n LEU 933 N 5.06 0.00 -3.55 -0.68 4.77 -0.01 0.98 117.00 123.57 2hye n LEU 933 Ca -0.11 -1.80 -0.16 0.00 -0.03 0.00 0.00 56.01 53.92 2hye n LEU 933 Cb 0.42 -0.73 -0.06 0.00 -2.33 0.00 0.00 43.42 40.72 2hye n LEU 933 CO 0.46 -1.10 0.52 0.00 -1.33 0.00 0.00 177.39 175.93 2hye s ALA 934 N -3.42 -1.81 -0.31 -1.18 0.00 -0.86 -2.88 121.76 111.30 2hye s ALA 934 Ca 0.66 1.48 -0.12 0.00 0.00 0.00 0.00 51.96 53.97 2hye s ALA 934 Cb -0.03 -0.34 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 2hye s ALA 934 CO 0.44 -0.35 0.24 -0.47 0.00 0.00 0.00 175.76 175.63 2hye s TYR 935 N -0.92 3.22 -0.49 0.00 5.04 -0.03 -1.99 117.35 122.19 2hye s TYR 935 Ca -0.07 0.02 -0.20 0.00 -2.44 0.00 0.00 57.07 54.38 2hye s TYR 935 Cb -0.01 -2.46 0.05 0.00 0.35 0.00 0.00 41.96 39.89 2hye s TYR 935 CO 0.07 -0.26 0.64 0.15 -1.34 0.00 0.00 175.55 174.81 2hye s LYS 936 N 1.80 3.17 0.00 4.97 -0.14 -0.36 -4.89 119.74 124.30 2hye s LYS 936 Ca 0.08 -0.71 0.00 0.00 -1.36 0.00 0.00 55.97 53.98 2hye s LYS 936 Cb -0.17 -4.05 0.00 0.00 -1.68 0.00 0.00 37.83 31.93 2hye s LYS 936 CO 0.11 -1.17 0.88 -2.30 -0.76 0.00 0.00 175.35 172.10 2hye n PRO 937 N 6.27 0.00 0.14 -1.68 -0.02 -1.26 -0.54 135.00 137.91 2hye n PRO 937 Ca -0.05 0.72 -0.15 0.00 -2.02 0.00 0.00 63.50 62.01 2hye n PRO 937 Cb 0.46 -1.38 -0.08 0.00 -0.02 0.00 0.00 33.50 32.49 2hye n PRO 937 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 2hye h MET 938 N 0.00 -0.68 -0.63 -0.52 2.86 -1.97 -1.54 114.93 112.45 2hye h MET 938 Ca 0.00 0.05 0.18 0.00 -2.06 0.00 0.00 59.70 57.87 2hye h MET 938 Cb 0.00 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 2hye h MET 938 CO 0.00 -0.45 0.63 0.93 1.06 0.00 0.00 176.91 179.08 2hye h GLU 939 N -0.70 0.00 -1.36 1.72 4.39 -1.97 -3.45 114.58 113.22 2hye h GLU 939 Ca 0.01 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.45 2hye h GLU 939 Cb 0.70 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.31 2hye h GLU 939 CO -0.22 0.00 -0.29 0.41 -1.16 0.00 0.00 179.01 177.75 2hye n GLY 940 N -1.57 0.43 3.72 -3.84 0.00 0.30 -4.97 105.19 99.25 2hye n GLY 940 Ca 0.13 -0.38 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 2hye n GLY 940 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hye n ASN 941 N -0.31 -2.04 -4.82 1.61 6.94 -1.16 -4.84 115.26 110.65 2hye n ASN 941 Ca -0.14 -2.30 -0.33 0.00 -0.02 0.00 0.00 54.58 51.79 2hye n ASN 941 Cb 0.54 3.37 -0.04 0.00 -2.36 0.00 0.00 39.78 41.29 2hye n ASN 941 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 2hye s PHE 942 N -2.26 3.23 -0.21 -2.53 2.99 -1.26 -1.22 117.98 116.72 2hye s PHE 942 Ca 0.18 1.54 -0.05 0.00 0.00 0.00 0.00 56.93 58.61 2hye s PHE 942 Cb -0.04 -2.91 0.10 0.00 0.00 0.00 0.00 43.02 40.18 2hye s PHE 942 CO 0.09 -0.51 0.37 -2.00 -0.00 0.00 0.00 175.22 173.17 2hye s GLU 943 N -3.62 0.30 0.37 0.44 2.12 -0.84 -4.92 118.70 112.56 2hye s GLU 943 Ca 0.62 0.75 -0.27 0.00 0.36 0.00 0.00 54.97 56.43 2hye s GLU 943 Cb -0.12 -0.13 -0.10 0.00 0.26 0.00 0.00 34.13 34.05 2hye s GLU 943 CO 0.24 -0.43 1.32 -1.21 -0.54 0.00 0.00 175.26 174.64 2hye s GLU 944 N 2.54 4.14 -0.16 4.30 2.02 -1.26 -2.02 118.70 128.26 2hye s GLU 944 Ca 0.05 2.22 -0.11 0.00 0.02 0.00 0.00 54.97 57.16 2hye s GLU 944 Cb -0.14 -2.91 -0.07 0.00 0.10 0.00 0.00 34.13 31.12 2hye s GLU 944 CO -0.13 -0.37 -0.25 -0.89 0.02 0.00 0.00 175.26 173.64 2hye n ILE 945 N 0.44 1.17 -3.22 -1.63 2.08 0.28 -4.93 119.36 113.55 2hye n ILE 945 Ca 0.02 -0.11 0.00 0.00 0.56 0.00 0.00 62.75 63.22 2hye n ILE 945 Cb 0.42 -1.88 0.00 0.00 -0.75 0.00 0.00 39.64 37.44 2hye n ILE 945 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2hye n ALA 946 N -3.96 0.00 0.00 -1.39 0.00 -1.16 -4.16 120.51 109.84 2hye n ALA 946 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2hye n ALA 946 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 2hye n ALA 946 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2hye n ARG 947 N 0.00 0.00 -2.05 0.00 1.85 -1.06 -2.60 116.66 112.81 2hye n ARG 947 Ca 0.00 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.45 2hye n ARG 947 Cb 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.40 2hye n ARG 947 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2hye s ASP 948 N 0.00 6.35 0.00 2.89 2.15 -1.08 -3.85 116.67 123.13 2hye s ASP 948 Ca 0.00 2.67 0.16 0.00 0.43 0.00 0.00 52.55 55.81 2hye s ASP 948 Cb 0.00 -2.64 0.31 0.00 -0.30 0.00 0.00 42.92 40.29 2hye s ASP 948 CO 0.00 -0.83 1.22 0.49 -0.17 0.00 0.00 175.17 175.88 2hye n PHE 949 N 0.19 0.38 -3.47 -5.34 3.01 -1.26 -4.75 117.46 106.22 2hye n PHE 949 Ca 0.03 -0.28 -0.38 0.00 1.01 0.00 0.00 57.45 57.83 2hye n PHE 949 Cb 0.43 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.83 2hye n PHE 949 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 2hye s ASN 950 N -1.15 6.69 -0.13 4.37 0.01 -1.26 -5.01 114.94 118.46 2hye s ASN 950 Ca 0.27 0.82 -0.29 0.00 -0.71 0.00 0.00 52.86 52.95 2hye s ASN 950 Cb 0.16 -2.24 -0.05 0.00 0.41 0.00 0.00 41.25 39.53 2hye s ASN 950 CO 0.22 0.20 1.72 -2.84 -1.51 0.00 0.00 177.10 174.88 2hye s PRO 951 N -0.31 3.92 -0.07 -0.60 0.02 -1.26 -4.52 135.00 132.17 2hye s PRO 951 Ca 0.23 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.24 2hye s PRO 951 Cb -0.15 -4.06 0.02 0.00 0.02 0.00 0.00 34.50 30.33 2hye s PRO 951 CO 0.10 -1.16 -0.05 -0.80 -0.33 0.00 0.00 177.00 174.77 2hye s ASN 952 N 4.26 1.59 -1.42 2.53 0.01 -0.98 -4.93 114.94 116.00 2hye s ASN 952 Ca 0.76 -0.18 -0.14 0.00 -0.71 0.00 0.00 52.86 52.59 2hye s ASN 952 Cb -0.31 -0.60 0.02 0.00 0.41 0.00 0.00 41.25 40.76 2hye s ASN 952 CO 0.31 -0.10 2.27 0.79 -1.51 0.00 0.00 177.10 178.85 2hye n TRP 953 N 4.60 3.32 -1.36 2.20 7.02 -1.26 -1.56 117.44 130.40 2hye n TRP 953 Ca -0.16 -2.90 -0.42 0.00 -1.02 0.00 0.00 57.50 53.00 2hye n TRP 953 Cb 0.50 -2.49 -0.00 0.00 -2.42 0.00 0.00 31.31 26.90 2hye n TRP 953 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 2hye n MET 954 N 5.95 0.21 0.00 -0.99 2.81 -1.19 -2.18 117.12 121.73 2hye n MET 954 Ca 0.54 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 56.50 2hye n MET 954 Cb 0.38 -1.18 0.00 0.00 -0.71 0.00 0.00 33.22 31.70 2hye n MET 954 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2hye n SER 955 N 1.92 3.52 -3.64 7.83 2.88 0.88 -4.68 113.62 122.33 2hye n SER 955 Ca 0.12 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.64 2hye n SER 955 Cb 0.38 0.49 -0.00 0.00 -0.75 0.00 0.00 64.21 64.33 2hye n SER 955 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hye s ALA 956 N -1.59 -1.81 -0.09 -1.46 0.00 -1.02 -4.74 121.76 111.04 2hye s ALA 956 Ca 0.00 0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.80 2hye s ALA 956 Cb 0.00 0.61 0.12 0.00 0.00 0.00 0.00 23.12 23.85 2hye s ALA 956 CO 0.00 -1.06 1.00 0.54 0.00 0.00 0.00 175.76 176.24 2hye s VAL 957 N -2.78 0.00 0.09 0.00 0.11 -1.26 -2.52 120.40 114.04 2hye s VAL 957 Ca 0.16 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.99 2hye s VAL 957 Cb -0.00 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.90 2hye s VAL 957 CO 0.01 0.00 0.51 -0.70 -3.33 0.00 0.00 175.10 171.60 2hye s GLU 958 N -2.38 1.10 -0.36 1.54 2.56 0.92 -4.80 118.70 117.29 2hye s GLU 958 Ca 0.04 -0.40 -0.10 0.00 0.00 0.00 0.00 54.97 54.52 2hye s GLU 958 Cb -0.01 0.50 0.03 0.00 2.00 0.00 0.00 34.13 36.65 2hye s GLU 958 CO -0.05 -0.43 0.17 0.42 -0.56 0.00 0.00 175.26 174.81 2hye s ILE 959 N -3.07 4.37 -0.06 -3.70 1.01 -1.26 -0.68 121.20 117.80 2hye s ILE 959 Ca -0.02 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.62 2hye s ILE 959 Cb -0.00 -3.42 -0.07 0.00 0.01 0.00 0.00 42.46 38.97 2hye s ILE 959 CO -0.07 -0.19 0.48 -0.07 0.00 0.00 0.00 174.94 175.09 2hye h LEU 960 N 8.37 -0.29 -8.92 2.97 3.38 -1.84 -3.49 115.31 115.49 2hye h LEU 960 Ca -0.26 -0.05 -0.46 0.00 0.09 0.00 0.00 57.88 57.20 2hye h LEU 960 Cb 1.10 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.79 2hye h LEU 960 CO 0.65 0.19 -0.50 1.51 0.09 0.00 0.00 178.44 180.37 2hye s ASP 961 N -5.19 1.65 0.30 -0.43 3.84 -1.21 -5.01 116.67 110.62 2hye s ASP 961 Ca -0.06 -1.73 0.07 0.00 -0.00 0.00 0.00 52.55 50.82 2hye s ASP 961 Cb 0.00 0.54 0.81 0.00 -1.38 0.00 0.00 42.92 42.90 2hye s ASP 961 CO 0.21 -1.04 1.71 0.44 -0.00 0.00 0.00 175.17 176.49 2hye h ASP 962 N 2.15 0.51 -0.01 2.11 3.32 -2.00 -2.99 116.42 119.51 2hye h ASP 962 Ca -0.26 0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2hye h ASP 962 Cb 1.24 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2hye h ASP 962 CO 0.39 0.05 -0.77 0.47 -1.72 0.00 0.00 179.24 177.65 2hye n ASP 963 N -4.96 1.33 -4.22 6.45 10.43 -1.26 -4.96 116.55 119.36 2hye n ASP 963 Ca 0.25 -1.17 -0.30 0.00 2.57 0.00 0.00 54.79 56.14 2hye n ASP 963 Cb 0.70 0.81 -0.16 0.00 1.84 0.00 0.00 41.12 44.30 2hye n ASP 963 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 2hye s ASN 964 N -2.72 2.80 -0.13 -2.24 0.02 -1.13 -2.32 114.94 109.22 2hye s ASN 964 Ca 0.11 -0.47 0.03 0.00 -1.02 0.00 0.00 52.86 51.51 2hye s ASN 964 Cb 0.16 -0.87 0.01 0.00 0.02 0.00 0.00 41.25 40.57 2hye s ASN 964 CO 0.73 0.20 -0.22 -0.36 0.02 0.00 0.00 177.10 177.47 2hye s PHE 965 N -0.01 2.58 -0.17 2.20 2.99 0.32 -2.33 117.98 123.57 2hye s PHE 965 Ca -0.06 -1.24 -0.13 0.00 0.00 0.00 0.00 56.93 55.49 2hye s PHE 965 Cb -0.14 -1.76 -0.05 0.00 0.00 0.00 0.00 43.02 41.08 2hye s PHE 965 CO 0.04 -0.56 0.26 -1.17 -0.00 0.00 0.00 175.22 173.79 2hye s LEU 966 N 0.71 4.23 0.17 -0.37 0.20 0.14 -0.85 118.68 122.92 2hye s LEU 966 Ca -0.10 0.44 0.04 0.00 0.69 0.00 0.00 54.13 55.20 2hye s LEU 966 Cb -0.16 -2.31 -0.05 0.00 -0.43 0.00 0.00 46.19 43.24 2hye s LEU 966 CO 0.01 0.11 -0.07 -0.83 -0.29 0.00 0.00 176.35 175.27 2hye s GLY 967 N 0.50 1.20 -0.10 7.98 0.00 -0.15 -0.05 107.32 116.69 2hye s GLY 967 Ca 0.14 -1.57 -0.05 0.00 0.00 0.00 0.00 44.72 43.25 2hye s GLY 967 CO 0.03 -1.61 0.23 0.00 0.00 0.00 0.00 173.10 171.75 2hye s ALA 968 N -3.35 -0.51 0.45 3.20 0.00 -1.05 -1.52 121.76 118.97 2hye s ALA 968 Ca 0.20 0.94 0.05 0.00 0.00 0.00 0.00 51.96 53.15 2hye s ALA 968 Cb 0.03 -0.70 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 2hye s ALA 968 CO 0.03 -0.29 0.08 -1.83 0.00 0.00 0.00 175.76 173.75 2hye s GLU 969 N 1.51 2.12 0.00 0.00 1.03 -1.06 -0.09 118.70 122.22 2hye s GLU 969 Ca -0.07 -2.11 0.00 0.00 0.03 0.00 0.00 54.97 52.82 2hye s GLU 969 Cb -0.11 -1.74 0.00 0.00 -0.80 0.00 0.00 34.13 31.48 2hye s GLU 969 CO -0.08 -0.20 0.88 0.27 -1.33 0.00 0.00 175.26 174.80 2hye n ASN 970 N -1.18 0.00 0.20 0.83 6.94 -0.93 -0.99 115.26 120.13 2hye n ASN 970 Ca -0.08 0.39 0.14 0.00 -0.02 0.00 0.00 54.58 55.02 2hye n ASN 970 Cb 0.66 -0.39 0.54 0.00 -2.36 0.00 0.00 39.78 38.23 2hye n ASN 970 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2hye h ALA 971 N 1.76 1.00 0.00 -2.53 0.00 -1.92 -3.46 119.26 114.11 2hye h ALA 971 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hye h ALA 971 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2hye h ALA 971 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 2hye n PHE 972 N -2.69 0.00 -4.50 0.00 0.99 -0.16 -4.86 117.46 106.24 2hye n PHE 972 Ca 0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.23 2hye n PHE 972 Cb 0.31 -0.47 -0.11 0.00 -1.00 0.00 0.00 39.48 38.22 2hye n PHE 972 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 2hye s ASN 973 N -2.63 3.19 0.23 4.37 0.01 -1.24 -1.55 114.94 117.33 2hye s ASN 973 Ca 0.00 -1.25 0.11 0.00 -0.71 0.00 0.00 52.86 51.01 2hye s ASN 973 Cb 0.00 -0.25 -0.05 0.00 0.41 0.00 0.00 41.25 41.36 2hye s ASN 973 CO 0.00 -0.35 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.28 2hye s LEU 974 N -3.54 2.52 0.15 0.60 1.43 0.11 -2.55 118.68 117.39 2hye s LEU 974 Ca 0.32 -0.96 -0.20 0.00 -1.03 0.00 0.00 54.13 52.26 2hye s LEU 974 Cb 0.05 -1.01 0.05 0.00 0.03 0.00 0.00 46.19 45.32 2hye s LEU 974 CO 0.15 0.02 0.52 0.72 0.23 0.00 0.00 176.35 177.99 2hye s PHE 975 N -2.29 -0.39 -0.07 0.29 -0.12 -0.58 -1.99 117.98 112.85 2hye s PHE 975 Ca 0.24 0.13 -0.00 0.00 -0.05 0.00 0.00 56.93 57.25 2hye s PHE 975 Cb -0.05 0.44 0.02 0.00 -0.63 0.00 0.00 43.02 42.80 2hye s PHE 975 CO 0.11 -0.80 -0.03 0.08 -0.05 0.00 0.00 175.22 174.52 2hye s VAL 976 N -3.78 0.57 0.11 -2.49 1.01 -0.79 -0.98 120.40 114.05 2hye s VAL 976 Ca 0.02 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2hye s VAL 976 Cb 0.00 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 2hye s VAL 976 CO -0.12 0.26 0.19 0.00 0.00 0.00 0.00 175.10 175.43 2hye s GLN 978 N -2.82 0.08 0.08 0.00 0.74 -1.21 -0.52 119.66 116.00 2hye s GLN 978 Ca 0.33 0.12 -0.31 0.00 0.05 0.00 0.00 55.36 55.55 2hye s GLN 978 Cb -0.12 0.01 -0.09 0.00 1.10 0.00 0.00 33.01 33.92 2hye s GLN 978 CO 0.26 -0.03 1.77 0.15 -0.55 0.00 0.00 175.29 176.89 2hye s LYS 979 N 0.15 4.16 0.40 1.67 1.02 -0.98 -3.34 119.74 122.82 2hye s LYS 979 Ca -0.01 2.47 -0.24 0.00 0.02 0.00 0.00 55.97 58.21 2hye s LYS 979 Cb -0.02 -3.71 -0.12 0.00 -0.52 0.00 0.00 37.83 33.46 2hye s LYS 979 CO -0.00 -0.82 0.88 -3.47 -0.92 0.00 0.00 175.35 171.01 2hye n ASP 980 N 6.05 0.64 -0.59 2.83 -0.08 -1.23 -4.92 116.55 119.26 2hye n ASP 980 Ca 0.17 1.02 0.10 0.00 -1.51 0.00 0.00 54.79 54.57 2hye n ASP 980 Cb 0.40 -1.27 0.03 0.00 2.34 0.00 0.00 41.12 42.61 2hye n ASP 980 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2hye n SER 981 N 0.80 2.19 -3.42 1.67 2.88 -1.26 -4.56 113.62 111.93 2hye n SER 981 Ca 0.10 -1.59 -0.40 0.00 -1.33 0.00 0.00 58.87 55.65 2hye n SER 981 Cb 0.38 0.32 -0.02 0.00 -0.75 0.00 0.00 64.21 64.15 2hye n SER 981 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hye n ALA 982 N 0.35 7.10 0.00 -1.46 0.00 -1.26 -4.76 120.51 120.49 2hye n ALA 982 Ca 0.10 -3.70 0.00 0.00 0.00 0.00 0.00 53.44 49.84 2hye n ALA 982 Cb 0.46 -3.28 0.00 0.00 0.00 0.00 0.00 19.45 16.63 2hye n ALA 982 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hye n ALA 983 N 3.61 1.17 0.11 0.00 0.00 -1.26 -3.77 120.51 120.38 2hye n ALA 983 Ca 0.71 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 54.03 2hye n ALA 983 Cb 0.26 -0.91 -0.08 0.00 0.00 0.00 0.00 19.45 18.72 2hye n ALA 983 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2hye h THR 984 N 0.51 0.72 -2.41 0.00 1.35 -1.93 -3.46 112.91 107.71 2hye h THR 984 Ca 0.00 -0.85 -0.50 0.00 -0.55 0.00 0.00 66.41 64.51 2hye h THR 984 Cb 0.00 1.14 -0.02 0.00 -1.73 0.00 0.00 68.15 67.54 2hye h THR 984 CO 0.00 0.16 -0.43 -0.89 -0.25 0.00 0.00 175.52 174.11 2hye s THR 985 N -4.00 5.28 -2.00 6.82 2.01 -1.25 -4.99 115.64 117.51 2hye s THR 985 Ca -0.13 -0.80 0.16 0.00 0.31 0.00 0.00 61.69 61.22 2hye s THR 985 Cb 0.01 -3.80 0.45 0.00 0.01 0.00 0.00 72.50 69.17 2hye s THR 985 CO 0.49 -0.23 1.37 -0.67 -0.69 0.00 0.00 174.62 174.90 2hye n ASP 986 N -1.02 2.70 -0.01 3.53 2.03 -1.26 -3.70 116.55 118.82 2hye n ASP 986 Ca -0.08 -2.00 -0.01 0.00 0.52 0.00 0.00 54.79 53.22 2hye n ASP 986 Cb 0.55 -0.34 -0.02 0.00 -0.72 0.00 0.00 41.12 40.60 2hye n ASP 986 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2hye n GLU 987 N 0.98 3.64 -0.15 -0.67 -0.00 -1.26 -4.46 120.64 118.72 2hye n GLU 987 Ca 0.17 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.16 57.31 2hye n GLU 987 Cb 0.43 -1.05 0.04 0.00 -0.00 0.00 0.00 31.44 30.85 2hye n GLU 987 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2hye n GLU 988 N -2.07 1.32 0.00 3.44 1.02 -1.24 -1.39 120.64 121.72 2hye n GLU 988 Ca -0.03 -0.41 0.00 0.00 -0.02 0.00 0.00 57.16 56.70 2hye n GLU 988 Cb 0.56 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 2hye n GLU 988 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2hye n ARG 989 N 0.20 4.50 0.15 3.49 0.63 -1.26 -4.48 116.66 119.89 2hye n ARG 989 Ca 0.06 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.12 2hye n ARG 989 Cb 0.54 -0.37 0.22 0.00 0.45 0.00 0.00 32.46 33.31 2hye n ARG 989 CO 0.00 0.00 0.00 0.37 -2.51 0.00 0.00 177.63 175.49 2hye h GLN 990 N 0.00 0.00 -6.01 -0.14 5.75 -1.39 -3.40 115.11 109.93 2hye h GLN 990 Ca 0.00 0.00 -0.64 0.00 -0.15 0.00 0.00 58.65 57.86 2hye h GLN 990 Cb 0.00 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.47 2hye h GLN 990 CO 0.00 0.00 -0.56 -1.01 -2.65 0.00 0.00 178.83 174.61 2hye s HIS 991 N -3.19 3.34 -0.04 3.99 3.76 -1.25 -2.55 115.29 119.36 2hye s HIS 991 Ca 0.07 0.20 -0.01 0.00 -0.15 0.00 0.00 55.06 55.17 2hye s HIS 991 Cb 0.09 -1.72 0.03 0.00 1.11 0.00 0.00 32.58 32.09 2hye s HIS 991 CO 0.67 0.56 0.03 -0.48 -0.85 0.00 0.00 174.74 174.68 2hye s LEU 992 N -2.09 0.61 0.03 0.89 0.05 -1.25 -3.53 118.68 113.39 2hye s LEU 992 Ca 0.27 0.03 -0.13 0.00 0.05 0.00 0.00 54.13 54.35 2hye s LEU 992 Cb -0.12 -0.18 -0.06 0.00 -2.05 0.00 0.00 46.19 43.78 2hye s LEU 992 CO 0.19 -0.19 0.41 -1.10 -0.55 0.00 0.00 176.35 175.11 2hye s GLN 993 N 1.68 3.85 -0.74 1.48 1.11 -1.21 -4.38 119.66 121.44 2hye s GLN 993 Ca -0.01 0.32 -0.26 0.00 0.01 0.00 0.00 55.36 55.42 2hye s GLN 993 Cb -0.13 -3.13 -0.07 0.00 -1.01 0.00 0.00 33.01 28.67 2hye s GLN 993 CO -0.03 0.64 2.16 -1.21 0.01 0.00 0.00 175.29 176.86 2hye s GLU 994 N -1.41 2.18 -0.44 2.91 2.02 -1.26 -3.33 118.70 119.37 2hye s GLU 994 Ca 0.27 0.42 0.02 0.00 0.02 0.00 0.00 54.97 55.70 2hye s GLU 994 Cb -0.16 -4.77 0.53 0.00 0.10 0.00 0.00 34.13 29.84 2hye s GLU 994 CO 0.15 -3.59 1.86 1.33 0.02 0.00 0.00 175.26 175.04 2hye n VAL 995 N 8.07 3.06 0.00 2.63 0.24 -0.39 -4.86 118.33 127.07 2hye n VAL 995 Ca 0.38 -1.92 0.00 0.00 -2.04 0.00 0.00 64.34 60.76 2hye n VAL 995 Cb 0.48 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 32.14 2hye n VAL 995 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2hye n GLY 996 N -0.85 0.82 2.98 7.63 0.00 -1.24 -4.40 105.19 110.13 2hye n GLY 996 Ca 0.53 0.46 -0.14 0.00 0.00 0.00 0.00 46.02 46.87 2hye n GLY 996 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hye s LEU 997 N 0.00 2.08 -0.18 0.99 1.43 -0.91 -1.89 118.68 120.20 2hye s LEU 997 Ca 0.00 -0.23 -0.22 0.00 -1.03 0.00 0.00 54.13 52.65 2hye s LEU 997 Cb 0.00 -0.20 0.06 0.00 0.03 0.00 0.00 46.19 46.08 2hye s LEU 997 CO 0.00 -0.03 0.60 0.12 0.23 0.00 0.00 176.35 177.27 2hye s PHE 998 N -0.51 -0.63 -0.50 0.29 5.36 -0.84 -1.38 117.98 119.78 2hye s PHE 998 Ca -0.02 1.44 -0.12 0.00 -0.96 0.00 0.00 56.93 57.27 2hye s PHE 998 Cb -0.04 0.25 0.12 0.00 -0.34 0.00 0.00 43.02 43.01 2hye s PHE 998 CO -0.00 -0.38 0.41 -1.58 -1.46 0.00 0.00 175.22 172.21 2hye s HIS 999 N -0.07 3.35 0.09 10.12 5.65 -1.20 0.04 115.29 133.27 2hye s HIS 999 Ca -0.03 -1.60 -0.15 0.00 0.25 0.00 0.00 55.06 53.53 2hye s HIS 999 Cb -0.04 -3.62 -0.11 0.00 -1.18 0.00 0.00 32.58 27.64 2hye s HIS 999 CO 0.03 -1.00 1.38 1.25 -0.65 0.00 0.00 174.74 175.75 2hye h LEU 1000N 8.65 0.77 0.00 8.88 6.46 -1.67 -3.43 115.31 134.97 2hye h LEU 1000Ca -0.25 -0.52 0.00 0.00 -0.12 0.00 0.00 57.88 56.99 2hye h LEU 1000Cb 1.09 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 2hye h LEU 1000CO 0.94 1.14 0.00 0.61 -0.62 0.00 0.00 178.44 180.51 2hye n GLY 1001N 0.31 0.78 3.27 3.75 0.00 -0.59 -5.03 105.19 107.67 2hye n GLY 1001Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 2hye n GLY 1001CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hye s GLU 1002N -0.43 1.46 -0.83 1.61 0.41 -1.26 -5.02 118.70 114.64 2hye s GLU 1002Ca 0.00 -0.97 -0.18 0.00 -0.41 0.00 0.00 54.97 53.41 2hye s GLU 1002Cb 0.00 -1.58 0.14 0.00 -1.78 0.00 0.00 34.13 30.91 2hye s GLU 1002CO 0.00 0.40 0.98 0.12 -0.49 0.00 0.00 175.26 176.28 2hye s PHE 1003N -0.80 3.17 0.29 1.61 5.36 -1.26 -4.70 117.98 121.64 2hye s PHE 1003Ca 0.08 -1.34 -0.30 0.00 -0.96 0.00 0.00 56.93 54.41 2hye s PHE 1003Cb -0.09 -4.16 -0.11 0.00 -0.34 0.00 0.00 43.02 38.32 2hye s PHE 1003CO 0.02 -1.39 1.57 0.08 -1.46 0.00 0.00 175.22 174.04 2hye s VAL 1004N 2.39 2.15 -0.05 3.12 1.01 -1.26 -2.19 120.40 125.57 2hye s VAL 1004Ca 0.26 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.44 2hye s VAL 1004Cb -0.10 -3.08 -0.11 0.00 0.00 0.00 0.00 36.38 33.09 2hye s VAL 1004CO -0.05 0.02 0.18 0.59 0.00 0.00 0.00 175.10 175.84 2hye n ASN 1005N 2.19 2.95 -3.55 3.32 3.02 -0.22 -4.53 115.26 118.43 2hye n ASN 1005Ca 0.08 -0.08 -0.17 0.00 -0.03 0.00 0.00 54.58 54.38 2hye n ASN 1005Cb 0.38 1.30 -0.06 0.00 -0.61 0.00 0.00 39.78 40.78 2hye n ASN 1005CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2hye s VAL 1006N -2.42 0.00 0.31 2.41 0.11 -1.23 -4.85 120.40 114.74 2hye s VAL 1006Ca -0.02 -0.01 0.07 0.00 -2.93 0.00 0.00 61.98 59.09 2hye s VAL 1006Cb 0.05 -0.99 -0.06 0.00 -1.53 0.00 0.00 36.38 33.84 2hye s VAL 1006CO 0.31 -0.00 -0.04 -0.36 -3.33 0.00 0.00 175.10 171.67 2hye s PHE 1007N -0.78 2.09 0.00 1.54 2.99 -1.26 0.15 117.98 122.71 2hye s PHE 1007Ca -0.08 -0.69 0.00 0.00 0.00 0.00 0.00 56.93 56.16 2hye s PHE 1007Cb -0.01 -1.25 0.00 0.00 0.00 0.00 0.00 43.02 41.76 2hye s PHE 1007CO 0.08 0.32 0.00 0.00 -0.00 0.00 0.00 175.22 175.61 2hye s HIS 1009N -0.29 2.80 0.00 0.00 3.76 -1.26 -0.79 115.29 119.51 2hye s HIS 1009Ca 0.00 0.69 0.00 0.00 -0.15 0.00 0.00 55.06 55.60 2hye s HIS 1009Cb 0.00 -4.07 0.00 0.00 1.11 0.00 0.00 32.58 29.62 2hye s HIS 1009CO 0.00 -3.71 0.00 0.41 -0.85 0.00 0.00 174.74 170.59 2hye n GLY 1010N 2.59 4.67 3.69 -2.22 0.00 -1.07 -4.82 105.19 108.03 2hye n GLY 1010Ca 0.10 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.95 2hye n GLY 1010CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hye s SER 1011N 0.00 4.33 0.00 1.61 0.15 -1.26 -4.19 113.70 114.34 2hye s SER 1011Ca 0.00 -1.02 0.08 0.00 0.70 0.00 0.00 55.95 55.71 2hye s SER 1011Cb 0.00 -0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 63.75 2hye s SER 1011CO 0.00 -0.38 0.48 0.18 1.20 0.00 0.00 173.24 174.72 2hye n LEU 1012N -1.10 0.85 -4.90 3.45 4.77 -1.26 -3.56 117.00 115.25 2hye n LEU 1012Ca -0.03 -0.69 -0.33 0.00 -0.03 0.00 0.00 56.01 54.93 2hye n LEU 1012Cb 0.63 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.68 2hye n LEU 1012CO 0.45 0.18 -0.11 -0.69 -1.33 0.00 0.00 177.39 175.89 2hye s VAL 1013N -1.33 5.36 -0.05 4.08 1.01 -1.26 -4.57 120.40 123.64 2hye s VAL 1013Ca 0.05 -0.06 -0.35 0.00 0.00 0.00 0.00 61.98 61.62 2hye s VAL 1013Cb 0.06 -3.57 -0.13 0.00 0.00 0.00 0.00 36.38 32.74 2hye s VAL 1013CO 0.23 0.29 1.73 0.80 0.00 0.00 0.00 175.10 178.15 2hye n MET 1014N 0.84 1.88 0.00 2.72 1.56 -1.26 -4.80 117.12 118.06 2hye n MET 1014Ca -0.09 0.69 -0.00 0.00 -0.27 0.00 0.00 57.70 58.02 2hye n MET 1014Cb 0.52 -2.46 -0.00 0.00 2.15 0.00 0.00 33.22 33.43 2hye n MET 1014CO 0.00 0.00 0.00 0.37 -0.73 0.00 0.00 175.97 175.61 2hye h GLN 1015N 7.62 -0.01 -4.17 2.12 5.75 -1.85 -3.49 115.11 121.08 2hye h GLN 1015Ca -0.47 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 57.81 2hye h GLN 1015Cb 1.28 0.00 0.10 0.00 1.07 0.00 0.00 27.48 29.93 2hye h GLN 1015CO 0.92 -0.01 -0.46 0.09 -2.65 0.00 0.00 178.83 176.72 2hye n ASN 1016N -2.18 -2.85 -4.46 -0.69 3.02 -1.26 -4.98 115.26 101.86 2hye n ASN 1016Ca -0.00 -0.37 -0.43 0.00 -0.03 0.00 0.00 54.58 53.75 2hye n ASN 1016Cb 0.01 -3.33 -0.06 0.00 -0.61 0.00 0.00 39.78 35.78 2hye n ASN 1016CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2hye s LEU 1017N -4.75 4.79 -0.03 3.41 2.96 -1.26 -4.76 118.68 119.04 2hye s LEU 1017Ca 0.11 -0.78 -0.04 0.00 -0.22 0.00 0.00 54.13 53.20 2hye s LEU 1017Cb -0.05 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 2hye s LEU 1017CO 0.45 -0.93 -0.10 0.61 -1.32 0.00 0.00 176.35 175.06 2hye n GLY 1018N 5.15 -0.15 0.00 7.98 0.00 -1.26 -4.95 105.19 111.97 2hye n GLY 1018Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2hye n GLY 1018CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hye n GLU 1019N -3.53 0.00 -0.98 1.61 1.02 -1.26 -5.13 120.64 112.37 2hye n GLU 1019Ca -0.10 -0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.01 2hye n GLU 1019Cb 0.41 -0.01 -0.01 0.00 -0.02 0.00 0.00 31.44 31.81 2hye n GLU 1019CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2hye n THR 1020N 0.00 0.00 0.00 2.62 -2.24 -1.26 -4.91 114.28 108.48 2hye n THR 1020Ca 0.00 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2hye n THR 1020Cb 0.34 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 2hye n THR 1020CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2hye n SER 1021N 4.02 0.00 -4.38 3.42 2.88 -1.26 -4.93 113.62 113.37 2hye n SER 1021Ca 0.03 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.25 2hye n SER 1021Cb 0.29 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.60 2hye n SER 1021CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2hye s THR 1022N 0.00 2.58 0.55 2.46 -4.23 -1.26 -5.02 115.64 110.72 2hye s THR 1022Ca 0.00 -0.90 0.24 0.00 -1.18 0.00 0.00 61.69 59.85 2hye s THR 1022Cb 0.00 -1.97 0.34 0.00 1.34 0.00 0.00 72.50 72.21 2hye s THR 1022CO 0.00 0.58 2.11 -0.65 -0.54 0.00 0.00 174.62 176.12 2hye h PRO 1023N 5.62 0.00 -6.43 3.99 0.11 -1.96 -3.41 132.00 129.93 2hye h PRO 1023Ca -0.41 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.07 2hye h PRO 1023Cb 1.15 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.10 2hye h PRO 1023CO 0.49 0.00 -0.79 0.95 -0.21 0.00 0.00 178.00 178.44 2hye s THR 1024N -4.86 2.49 0.13 -1.15 -4.23 -1.26 -4.47 115.64 102.29 2hye s THR 1024Ca -0.05 -2.16 0.09 0.00 -1.18 0.00 0.00 61.69 58.39 2hye s THR 1024Cb 0.17 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.72 2hye s THR 1024CO 0.63 -0.24 -0.21 -1.58 -0.54 0.00 0.00 174.62 172.68 2hye s GLN 1025N -3.05 1.22 0.41 3.99 0.74 -0.42 -4.94 119.66 117.61 2hye s GLN 1025Ca 0.25 -1.29 0.00 0.00 0.05 0.00 0.00 55.36 54.37 2hye s GLN 1025Cb -0.07 -1.43 0.00 0.00 1.10 0.00 0.00 33.01 32.61 2hye s GLN 1025CO 0.13 0.32 0.00 0.41 -0.55 0.00 0.00 175.29 175.59 2hye n GLY 1026N 0.73 -2.94 3.48 2.59 0.00 -1.26 0.68 105.19 108.46 2hye n GLY 1026Ca -0.17 -1.19 -0.06 0.00 0.00 0.00 0.00 46.02 44.61 2hye n GLY 1026CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hye s SER 1027N -6.35 -0.75 -0.03 1.61 0.15 -1.26 -4.44 113.70 102.63 2hye s SER 1027Ca 0.00 1.28 0.00 0.00 0.70 0.00 0.00 55.95 57.94 2hye s SER 1027Cb 0.00 1.53 0.03 0.00 -1.71 0.00 0.00 66.02 65.87 2hye s SER 1027CO 0.00 -0.22 -0.00 -0.69 1.20 0.00 0.00 173.24 173.52 2hye s VAL 1028N 2.21 0.21 0.17 4.45 1.01 -0.47 -2.59 120.40 125.39 2hye s VAL 1028Ca -0.07 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.03 2hye s VAL 1028Cb -0.09 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 2hye s VAL 1028CO -0.16 0.16 0.23 -0.76 0.00 0.00 0.00 175.10 174.57 2hye s LEU 1029N 1.07 4.13 -0.08 3.92 1.43 0.03 -0.86 118.68 128.32 2hye s LEU 1029Ca -0.09 0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 52.99 2hye s LEU 1029Cb -0.14 -2.71 0.03 0.00 0.03 0.00 0.00 46.19 43.40 2hye s LEU 1029CO -0.02 0.05 0.19 0.72 0.23 0.00 0.00 176.35 177.52 2hye s PHE 1030N -1.78 -0.22 0.28 0.29 -0.12 -0.85 -0.78 117.98 114.80 2hye s PHE 1030Ca 0.33 0.55 -0.04 0.00 -0.05 0.00 0.00 56.93 57.72 2hye s PHE 1030Cb -0.10 0.05 -0.05 0.00 -0.63 0.00 0.00 43.02 42.29 2hye s PHE 1030CO 0.27 -0.13 0.53 0.20 -0.05 0.00 0.00 175.22 176.04 2hye s GLY 1031N 0.42 1.80 0.01 1.99 0.00 0.12 -2.15 107.32 109.52 2hye s GLY 1031Ca -0.03 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.07 2hye s GLY 1031CO -0.02 -0.53 -0.03 -1.59 0.00 0.00 0.00 173.10 170.93 2hye s THR 1032N -2.08 0.14 0.48 0.90 2.01 -0.97 -1.06 115.64 115.07 2hye s THR 1032Ca 0.43 -0.52 0.27 0.00 0.31 0.00 0.00 61.69 62.19 2hye s THR 1032Cb -0.11 -0.21 0.46 0.00 0.01 0.00 0.00 72.50 72.65 2hye s THR 1032CO 0.30 -0.24 1.83 0.58 -0.69 0.00 0.00 174.62 176.41 2hye h VAL 1033N 4.86 0.53 -0.20 3.82 2.07 -1.65 0.41 116.25 126.09 2hye h VAL 1033Ca -0.29 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2hye h VAL 1033Cb 1.21 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2hye h VAL 1033CO 0.46 0.03 0.00 0.59 0.02 0.00 0.00 177.57 178.67 2hye n ASN 1034N -4.38 1.34 0.00 0.57 5.03 -1.26 -3.28 115.26 113.28 2hye n ASN 1034Ca 0.22 -2.05 0.00 0.00 0.87 0.00 0.00 54.58 53.62 2hye n ASN 1034Cb 0.97 -0.22 0.00 0.00 -1.02 0.00 0.00 39.78 39.51 2hye n ASN 1034CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2hye n GLY 1035N 0.71 2.83 3.76 7.41 0.00 0.14 -1.96 105.19 118.08 2hye n GLY 1035Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2hye n GLY 1035CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2hye s MET 1036N -0.12 4.16 -0.05 1.61 0.00 -1.26 -4.58 119.30 119.07 2hye s MET 1036Ca 0.00 2.50 0.05 0.00 0.00 0.00 0.00 55.69 58.23 2hye s MET 1036Cb 0.00 -3.03 -0.02 0.00 0.00 0.00 0.00 34.83 31.78 2hye s MET 1036CO 0.00 -0.54 -0.19 0.42 0.00 0.00 0.00 175.02 174.72 2hye s ILE 1037N -0.35 2.67 0.35 10.11 1.01 -1.14 -2.29 121.20 131.57 2hye s ILE 1037Ca 0.59 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 60.43 2hye s ILE 1037Cb -0.46 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 2hye s ILE 1037CO 0.51 0.58 0.19 -0.83 0.00 0.00 0.00 174.94 175.39 2hye s GLY 1038N -0.50 2.34 0.01 6.18 0.00 -0.91 -1.34 107.32 113.10 2hye s GLY 1038Ca 0.06 -1.67 0.01 0.00 0.00 0.00 0.00 44.72 43.12 2hye s GLY 1038CO 0.01 -1.63 -0.03 -2.27 0.00 0.00 0.00 173.10 169.18 2hye s LEU 1039N -3.45 2.07 -0.05 0.66 2.96 0.98 -2.01 118.68 119.84 2hye s LEU 1039Ca 0.33 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.10 2hye s LEU 1039Cb 0.03 -0.08 0.01 0.00 0.50 0.00 0.00 46.19 46.65 2hye s LEU 1039CO 0.20 -0.05 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.38 2hye s VAL 1040N -0.42 0.97 0.04 1.68 1.01 -0.04 -1.56 120.40 122.08 2hye s VAL 1040Ca -0.03 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.50 2hye s VAL 1040Cb -0.03 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 2hye s VAL 1040CO -0.00 0.31 0.06 0.42 0.00 0.00 0.00 175.10 175.89 2hye s THR 1041N 0.51 0.16 0.46 3.92 -4.23 -0.68 -1.37 115.64 114.40 2hye s THR 1041Ca -0.10 -1.28 -0.04 0.00 -1.18 0.00 0.00 61.69 59.09 2hye s THR 1041Cb -0.13 -1.04 -0.03 0.00 1.34 0.00 0.00 72.50 72.63 2hye s THR 1041CO 0.02 -0.71 0.73 -0.44 -0.54 0.00 0.00 174.62 173.69 2hye s SER 1042N -2.35 6.22 0.21 3.99 0.01 0.21 0.95 113.70 122.95 2hye s SER 1042Ca -0.02 0.79 0.06 0.00 1.31 0.00 0.00 55.95 58.08 2hye s SER 1042Cb 0.01 -2.15 -0.05 0.00 0.21 0.00 0.00 66.02 64.04 2hye s SER 1042CO -0.06 -0.54 -0.08 -0.76 0.41 0.00 0.00 173.24 172.20 2hye s LEU 1043N -4.65 2.44 0.08 2.44 1.43 -0.36 -1.30 118.68 118.75 2hye s LEU 1043Ca 0.46 -1.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.17 2hye s LEU 1043Cb -0.10 -0.47 -0.05 0.00 0.03 0.00 0.00 46.19 45.59 2hye s LEU 1043CO 0.43 -0.34 0.92 -0.55 0.23 0.00 0.00 176.35 177.04 2hye s SER 1044N -3.30 7.40 0.30 2.29 0.15 -1.26 -4.67 113.70 114.62 2hye s SER 1044Ca 0.24 1.68 0.06 0.00 0.70 0.00 0.00 55.95 58.63 2hye s SER 1044Cb 0.03 -2.56 0.83 0.00 -1.71 0.00 0.00 66.02 62.61 2hye s SER 1044CO 0.06 -0.08 1.65 -0.08 1.20 0.00 0.00 173.24 176.00 2hye h GLU 1045N 5.81 0.23 -0.55 5.44 4.81 -1.99 1.16 114.58 129.49 2hye h GLU 1045Ca -0.43 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 58.88 2hye h GLU 1045Cb 1.21 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 2hye h GLU 1045CO 0.72 0.15 0.37 1.03 -0.73 0.00 0.00 179.01 180.56 2hye h SER 1046N 0.24 0.33 1.28 1.04 0.87 -1.99 -1.67 113.55 113.64 2hye h SER 1046Ca 0.61 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.17 2hye h SER 1046Cb 1.28 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2hye h SER 1046CO -0.65 0.20 -0.39 -0.50 -0.53 0.00 0.00 176.83 174.96 2hye h TRP 1047N 0.36 0.00 0.31 2.24 4.06 1.00 -3.35 115.95 120.58 2hye h TRP 1047Ca 0.25 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.19 2hye h TRP 1047Cb 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.68 2hye h TRP 1047CO -0.00 0.00 -0.15 -0.92 -3.56 0.00 0.00 178.44 173.81 2hye h TYR 1048N 0.00 -0.39 -0.55 0.49 3.20 -0.50 -2.68 116.97 116.53 2hye h TYR 1048Ca 0.00 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.94 2hye h TYR 1048Cb 0.83 0.13 -0.06 0.00 1.54 0.00 0.00 36.73 39.17 2hye h TYR 1048CO 0.00 -0.06 0.20 -0.91 -1.64 0.00 0.00 178.16 175.75 2hye h ASN 1049N -0.96 0.20 0.54 -2.11 2.35 -1.72 1.38 115.58 115.26 2hye h ASN 1049Ca -0.04 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 2hye h ASN 1049Cb 0.50 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 2hye h ASN 1049CO 0.07 0.13 -0.43 0.25 -1.65 0.00 0.00 177.43 175.80 2hye h LEU 1050N 0.38 -1.15 -1.96 1.61 5.85 -1.69 1.42 115.31 119.78 2hye h LEU 1050Ca 0.27 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 2hye h LEU 1050Cb 0.31 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 2hye h LEU 1050CO -0.28 -0.60 -0.00 -0.07 -0.34 0.00 0.00 178.44 177.14 2hye h LEU 1051N -0.94 0.02 -0.06 2.25 3.38 -1.08 1.12 115.31 120.00 2hye h LEU 1051Ca -0.07 -0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.70 2hye h LEU 1051Cb 0.78 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.54 2hye h LEU 1051CO 0.00 0.03 -0.74 0.25 0.09 0.00 0.00 178.44 178.07 2hye h LEU 1052N 0.02 0.76 0.25 1.67 5.85 0.23 0.92 115.31 125.02 2hye h LEU 1052Ca 0.01 -0.69 -0.01 0.00 0.84 0.00 0.00 57.88 58.02 2hye h LEU 1052Cb 0.02 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.83 2hye h LEU 1052CO 0.00 1.34 -0.12 -0.78 -0.34 0.00 0.00 178.44 178.54 2hye h ASP 1053N 0.24 -0.29 -0.92 1.25 3.58 0.34 -2.64 116.42 117.98 2hye h ASP 1053Ca -0.07 -0.10 0.14 0.00 0.42 0.00 0.00 57.03 57.41 2hye h ASP 1053Cb 1.40 0.07 -0.09 0.00 1.72 0.00 0.00 39.33 42.43 2hye h ASP 1053CO 0.15 -0.07 0.53 -0.03 -2.88 0.00 0.00 179.24 176.94 2hye h MET 1054N -0.50 0.75 -0.37 0.28 4.05 0.13 0.15 114.93 119.41 2hye h MET 1054Ca -0.03 -0.05 0.07 0.00 -0.28 0.00 0.00 59.70 59.41 2hye h MET 1054Cb 0.37 -0.17 -0.07 0.00 -0.80 0.00 0.00 31.60 30.94 2hye h MET 1054CO 0.06 0.50 -0.07 1.96 0.23 0.00 0.00 176.91 179.59 2hye h GLN 1055N 0.77 0.03 -0.41 0.39 4.20 -0.61 -2.37 115.11 117.11 2hye h GLN 1055Ca 0.48 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 59.21 2hye h GLN 1055Cb 0.61 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 2hye h GLN 1055CO -0.32 0.02 0.24 -0.91 -0.67 0.00 0.00 178.83 177.18 2hye h ASN 1056N 0.03 0.38 -0.44 1.46 -0.26 -0.64 -2.49 115.58 113.61 2hye h ASN 1056Ca 0.18 0.01 0.08 0.00 -0.56 0.00 0.00 56.30 56.00 2hye h ASN 1056Cb 0.27 -0.07 -0.07 0.00 -1.06 0.00 0.00 38.32 37.39 2hye h ASN 1056CO -0.36 0.27 0.05 0.03 -1.06 0.00 0.00 177.43 176.36 2hye h ARG 1057N 0.48 0.16 -0.81 0.81 2.47 -0.92 -2.35 114.38 114.23 2hye h ARG 1057Ca 0.16 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.88 2hye h ARG 1057Cb 0.02 -0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.26 2hye h ARG 1057CO -0.08 0.11 0.53 -0.07 0.56 0.00 0.00 179.97 181.02 2hye h LEU 1058N 0.17 0.92 -1.93 3.04 3.38 -1.09 -2.54 115.31 117.26 2hye h LEU 1058Ca 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2hye h LEU 1058Cb 0.30 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2hye h LEU 1058CO -0.32 0.67 0.00 0.78 0.09 0.00 0.00 178.44 179.66 2hye h ASN 1059N 1.09 0.00 0.13 -0.43 2.35 -0.99 0.73 115.58 118.46 2hye h ASN 1059Ca 0.30 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.82 2hye h ASN 1059Cb -0.12 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.26 2hye h ASN 1059CO -0.06 0.00 -1.10 0.11 -1.65 0.00 0.00 177.43 174.72 2hye h LYS 1060N 0.00 0.27 0.00 0.81 1.57 -1.42 -3.38 116.57 114.42 2hye h LYS 1060Ca 0.00 -0.46 -0.18 0.00 -1.87 0.00 0.00 60.65 58.14 2hye h LYS 1060Cb 0.29 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 2hye h LYS 1060CO 0.00 1.22 -0.94 0.28 -0.57 0.00 0.00 179.45 179.44 2hye h VAL 1061N -0.35 1.17 -3.34 0.50 2.07 -1.44 -3.46 116.25 111.40 2hye h VAL 1061Ca -0.22 -2.74 -0.56 0.00 0.82 0.00 0.00 66.70 63.99 2hye h VAL 1061Cb 1.70 2.55 -0.05 0.00 -1.52 0.00 0.00 31.29 33.97 2hye h VAL 1061CO 0.10 0.67 0.30 -0.63 0.02 0.00 0.00 177.57 178.03 2hye s ILE 1062N -2.81 4.93 0.40 4.57 1.09 0.23 -5.04 121.20 124.57 2hye s ILE 1062Ca 0.01 1.70 -0.24 0.00 -1.10 0.00 0.00 60.65 61.01 2hye s ILE 1062Cb 0.09 -4.16 -0.09 0.00 -1.06 0.00 0.00 42.46 37.24 2hye s ILE 1062CO 0.79 0.13 1.08 -0.54 -0.10 0.00 0.00 174.94 176.30 2hye s LYS 1063N 1.42 4.14 -0.05 2.79 1.02 -1.26 -4.87 119.74 122.94 2hye s LYS 1063Ca 0.42 1.60 -0.03 0.00 0.02 0.00 0.00 55.97 57.98 2hye s LYS 1063Cb -0.18 -2.59 -0.04 0.00 -0.52 0.00 0.00 37.83 34.50 2hye s LYS 1063CO 0.18 -0.18 0.13 0.45 -0.92 0.00 0.00 175.35 175.01 2hye s SER 1064N -1.44 6.11 0.00 2.83 0.15 -1.26 -4.99 113.70 115.10 2hye s SER 1064Ca 0.57 0.31 0.06 0.00 0.70 0.00 0.00 55.95 57.59 2hye s SER 1064Cb -0.25 -1.88 0.34 0.00 -1.71 0.00 0.00 66.02 62.52 2hye s SER 1064CO 0.31 0.32 0.73 0.52 1.20 0.00 0.00 173.24 176.32 2hye n VAL 1065N 1.40 0.00 -1.78 4.45 0.31 -1.26 -1.90 118.33 119.55 2hye n VAL 1065Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 2hye n VAL 1065Cb 0.53 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 2hye n VAL 1065CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hye n GLY 1066N -0.24 0.77 2.70 2.92 0.00 -1.26 -4.83 105.19 105.26 2hye n GLY 1066Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 2hye n GLY 1066CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hye n LYS 1067N 0.00 -4.69 -4.00 1.61 4.76 -0.80 -4.81 118.16 110.23 2hye n LYS 1067Ca 0.00 0.55 -0.35 0.00 -2.87 0.00 0.00 58.31 55.64 2hye n LYS 1067Cb 0.31 -4.72 -0.08 0.00 -1.84 0.00 0.00 35.03 28.70 2hye n LYS 1067CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2hye s ILE 1068N -3.23 4.98 -0.22 -0.18 -1.09 -1.26 -4.98 121.20 115.22 2hye s ILE 1068Ca 0.14 0.02 -0.29 0.00 -2.23 0.00 0.00 60.65 58.29 2hye s ILE 1068Cb -0.06 -3.20 0.01 0.00 -1.58 0.00 0.00 42.46 37.62 2hye s ILE 1068CO 0.48 0.52 1.09 -0.70 -1.23 0.00 0.00 174.94 175.10 2hye s GLU 1069N -0.22 4.25 0.53 2.79 2.56 -1.26 -4.86 118.70 122.49 2hye s GLU 1069Ca 0.09 1.42 0.31 0.00 0.00 0.00 0.00 54.97 56.78 2hye s GLU 1069Cb -0.12 -3.67 1.45 0.00 2.00 0.00 0.00 34.13 33.79 2hye s GLU 1069CO 0.01 -0.65 1.88 1.25 -0.56 0.00 0.00 175.26 177.19 2hye h HIS 1070N 7.62 0.05 -0.33 5.30 -0.00 -1.96 0.29 115.15 126.13 2hye h HIS 1070Ca -0.21 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.06 2hye h HIS 1070Cb 1.07 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.45 2hye h HIS 1070CO 0.76 0.01 -0.22 0.77 -0.00 0.00 0.00 177.93 179.25 2hye h SER 1071N 0.04 0.63 0.38 3.26 0.02 -1.96 -2.56 113.55 113.37 2hye h SER 1071Ca 0.43 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 2hye h SER 1071Cb 1.68 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 64.05 2hye h SER 1071CO -0.02 0.85 -0.18 0.15 -1.14 0.00 0.00 176.83 176.48 2hye h PHE 1072N 0.56 -0.48 -0.65 3.45 3.57 -0.84 -3.08 116.94 119.48 2hye h PHE 1072Ca 0.08 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.68 2hye h PHE 1072Cb 0.68 0.16 -0.12 0.00 2.79 0.00 0.00 35.95 39.46 2hye h PHE 1072CO 0.03 -0.23 -0.36 2.35 -2.23 0.00 0.00 178.31 177.87 2hye h TRP 1073N -1.09 -1.01 0.00 0.41 -0.00 -1.38 0.43 115.95 113.32 2hye h TRP 1073Ca -0.05 0.08 0.00 0.00 -0.00 0.00 0.00 58.89 58.92 2hye h TRP 1073Cb 0.46 0.54 0.00 0.00 -0.00 0.00 0.00 29.16 30.16 2hye h TRP 1073CO 0.02 -0.39 0.00 0.54 -0.00 0.00 0.00 178.44 178.60 2hye n ARG 1074N -5.43 0.82 -2.92 2.65 5.12 -0.96 -4.74 116.66 111.19 2hye n ARG 1074Ca 0.05 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.56 2hye n ARG 1074Cb 0.36 -1.23 -0.05 0.00 -1.16 0.00 0.00 32.46 30.39 2hye n ARG 1074CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2hye s SER 1075N -0.63 7.24 0.00 0.55 0.01 0.15 -3.25 113.70 117.78 2hye s SER 1075Ca 0.00 1.49 -0.32 0.00 1.31 0.00 0.00 55.95 58.42 2hye s SER 1075Cb 0.00 -2.49 -0.11 0.00 0.21 0.00 0.00 66.02 63.63 2hye s SER 1075CO 0.00 -0.04 1.88 0.33 0.41 0.00 0.00 173.24 175.82 2hye n PHE 1076N 3.05 2.43 -3.67 2.43 7.35 -0.52 -4.53 117.46 124.01 2hye n PHE 1076Ca -0.01 -0.13 -0.16 0.00 -0.76 0.00 0.00 57.45 56.40 2hye n PHE 1076Cb 0.50 -2.71 -0.15 0.00 0.35 0.00 0.00 39.48 37.47 2hye n PHE 1076CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 2hye s HIS 1077N 3.75 -0.25 0.32 -5.13 5.65 -1.26 -2.89 115.29 115.47 2hye s HIS 1077Ca 0.89 0.71 0.03 0.00 0.25 0.00 0.00 55.06 56.94 2hye s HIS 1077Cb -0.58 -0.19 -0.05 0.00 -1.18 0.00 0.00 32.58 30.58 2hye s HIS 1077CO 0.45 -0.29 0.10 0.95 -0.65 0.00 0.00 174.74 175.30 2hye s THR 1078N 2.31 0.77 0.54 0.89 -4.23 -1.01 -4.85 115.64 110.06 2hye s THR 1078Ca 0.02 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 58.87 2hye s THR 1078Cb -0.12 -2.63 0.37 0.00 1.34 0.00 0.00 72.50 71.46 2hye s THR 1078CO -0.07 0.00 2.23 -0.08 -0.54 0.00 0.00 174.62 176.16 2hye h GLU 1079N 2.15 0.00 0.00 3.99 4.57 -2.00 -3.30 114.58 119.98 2hye h GLU 1079Ca -0.38 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 2hye h GLU 1079Cb 1.25 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.84 2hye h GLU 1079CO 0.62 0.03 0.00 0.54 -1.18 0.00 0.00 179.01 179.02 2hye n ARG 1080N -3.54 0.00 -1.31 1.92 1.74 -1.26 -5.05 116.66 109.17 2hye n ARG 1080Ca -0.02 0.17 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2hye n ARG 1080Cb 0.13 -0.73 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 2hye n ARG 1080CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2hye n LYS 1081N -1.02 2.01 -2.71 5.56 2.85 -1.24 -5.12 118.16 118.48 2hye n LYS 1081Ca 0.00 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.19 2hye n LYS 1081Cb 0.00 0.00 0.08 0.00 -0.65 0.00 0.00 35.03 34.46 2hye n LYS 1081CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2hye n THR 1082N -0.31 0.00 -1.00 0.58 -1.04 -1.26 -2.39 114.28 108.87 2hye n THR 1082Ca 0.00 -1.22 -0.30 0.00 -2.04 0.00 0.00 64.05 60.49 2hye n THR 1082Cb 0.00 1.36 0.24 0.00 -1.82 0.00 0.00 70.33 70.11 2hye n THR 1082CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2hye s GLU 1083N 0.34 -1.30 0.00 -2.82 0.41 -1.14 -4.87 118.70 109.32 2hye s GLU 1083Ca 0.25 0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.82 2hye s GLU 1083Cb 0.26 -1.58 0.00 0.00 -1.78 0.00 0.00 34.13 31.03 2hye s GLU 1083CO -0.14 -3.78 0.00 -2.30 -0.49 0.00 0.00 175.26 168.55 2hye n PRO 1084N -4.82 0.00 -3.60 0.39 -0.02 -1.26 -2.86 135.00 122.82 2hye n PRO 1084Ca 0.12 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.53 2hye n PRO 1084Cb 0.59 -0.04 -0.04 0.00 -0.02 0.00 0.00 33.50 33.99 2hye n PRO 1084CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hye s ALA 1085N -3.53 -2.01 -0.15 3.55 0.00 -1.26 -1.43 121.76 116.93 2hye s ALA 1085Ca 0.00 1.68 -0.33 0.00 0.00 0.00 0.00 51.96 53.31 2hye s ALA 1085Cb 0.00 -0.91 0.13 0.00 0.00 0.00 0.00 23.12 22.34 2hye s ALA 1085CO 0.00 -0.32 1.12 0.95 0.00 0.00 0.00 175.76 177.51 2hye s THR 1086N -1.26 0.00 -1.48 0.00 -4.23 -0.48 -4.86 115.64 103.34 2hye s THR 1086Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.54 2hye s THR 1086Cb -0.01 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.83 2hye s THR 1086CO -0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 2hye n GLY 1087N -0.00 1.32 2.93 3.99 0.00 -1.26 -2.14 105.19 110.03 2hye n GLY 1087Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2hye n GLY 1087CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hye s PHE 1088N -2.17 -0.17 -0.22 1.61 0.40 -1.25 -0.09 117.98 116.09 2hye s PHE 1088Ca 0.00 0.50 0.02 0.00 -0.60 0.00 0.00 56.93 56.84 2hye s PHE 1088Cb 0.00 -0.08 0.04 0.00 0.51 0.00 0.00 43.02 43.49 2hye s PHE 1088CO 0.00 -0.17 -0.15 0.42 0.70 0.00 0.00 175.22 176.02 2hye s ILE 1089N 1.20 2.08 -0.39 0.64 -1.09 -0.78 -4.98 121.20 117.90 2hye s ILE 1089Ca -0.09 -1.27 -0.27 0.00 -2.23 0.00 0.00 60.65 56.80 2hye s ILE 1089Cb -0.12 -2.05 0.02 0.00 -1.58 0.00 0.00 42.46 38.74 2hye s ILE 1089CO -0.06 0.25 0.97 1.51 -1.23 0.00 0.00 174.94 176.39 2hye s ASP 1090N 1.21 6.69 0.06 3.58 3.84 -1.26 -1.70 116.67 129.09 2hye s ASP 1090Ca -0.02 0.58 0.09 0.00 -0.00 0.00 0.00 52.55 53.20 2hye s ASP 1090Cb -0.16 -2.48 0.42 0.00 -1.38 0.00 0.00 42.92 39.31 2hye s ASP 1090CO -0.09 -0.93 1.28 0.61 -0.00 0.00 0.00 175.17 176.04 2hye n GLY 1091N 4.44 -0.76 0.30 2.12 0.00 -0.80 -2.56 105.19 107.93 2hye n GLY 1091Ca 0.08 0.02 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 2hye n GLY 1091CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2hye h ASP 1092N 0.00 0.92 0.61 1.61 5.19 -1.90 -2.84 116.42 120.01 2hye h ASP 1092Ca 0.00 -0.09 -0.03 0.00 -0.62 0.00 0.00 57.03 56.29 2hye h ASP 1092Cb 0.10 -0.23 0.01 0.00 0.18 0.00 0.00 39.33 39.38 2hye h ASP 1092CO 0.00 0.74 -0.29 0.25 -3.12 0.00 0.00 179.24 176.82 2hye h LEU 1093N 1.03 -0.69 -1.60 1.55 6.46 -1.88 -3.07 115.31 117.11 2hye h LEU 1093Ca 0.26 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.05 2hye h LEU 1093Cb 0.02 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 2hye h LEU 1093CO -0.04 -0.33 0.00 -0.38 -0.62 0.00 0.00 178.44 177.07 2hye n ILE 1094N -5.11 0.00 0.00 4.05 2.08 -1.16 0.73 119.36 119.95 2hye n ILE 1094Ca -0.10 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.21 2hye n ILE 1094Cb 0.32 -0.25 0.00 0.00 -0.75 0.00 0.00 39.64 38.96 2hye n ILE 1094CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2hye n GLU 1095N 0.73 4.13 -0.01 0.38 1.02 -1.08 -4.66 120.64 121.14 2hye n GLU 1095Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 2hye n GLU 1095Cb 0.00 -0.39 0.57 0.00 -0.02 0.00 0.00 31.44 31.59 2hye n GLU 1095CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2hye n SER 1096N -0.10 0.32 0.10 1.62 3.41 0.22 -3.01 113.62 116.19 2hye n SER 1096Ca 0.00 -1.42 -0.06 0.00 -0.26 0.00 0.00 58.87 57.13 2hye n SER 1096Cb 0.00 -0.02 0.05 0.00 -0.26 0.00 0.00 64.21 63.98 2hye n SER 1096CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2hye h PHE 1097N 0.44 0.17 0.00 7.33 3.57 -1.83 -3.04 116.94 123.58 2hye h PHE 1097Ca 0.00 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2hye h PHE 1097Cb 0.10 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2hye h PHE 1097CO 0.02 0.84 -0.09 1.28 -2.23 0.00 0.00 178.31 178.13 2hye n LEU 1098N -3.69 0.28 -0.42 0.59 4.77 -1.16 -3.79 117.00 113.57 2hye n LEU 1098Ca -0.02 0.44 0.11 0.00 -0.03 0.00 0.00 56.01 56.51 2hye n LEU 1098Cb 0.74 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 41.39 2hye n LEU 1098CO 0.45 -0.03 0.25 0.47 -1.33 0.00 0.00 177.39 177.21 2hye n ASP 1099N -1.70 1.87 -4.93 -1.43 8.00 -1.15 -4.97 116.55 112.25 2hye n ASP 1099Ca 0.06 -1.44 -0.27 0.00 0.71 0.00 0.00 54.79 53.86 2hye n ASP 1099Cb 0.36 0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 41.99 2hye n ASP 1099CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2hye s ILE 1100N -2.53 5.13 0.47 0.53 -4.36 -1.21 -5.05 121.20 114.17 2hye s ILE 1100Ca 0.17 -0.30 -0.23 0.00 -0.26 0.00 0.00 60.65 60.03 2hye s ILE 1100Cb 0.18 -3.77 -0.09 0.00 1.25 0.00 0.00 42.46 40.02 2hye s ILE 1100CO 0.61 -0.32 1.00 -1.54 0.24 0.00 0.00 174.94 174.93 2hye n SER 1101N -1.07 1.17 -0.24 4.36 3.41 -1.26 -4.83 113.62 115.16 2hye n SER 1101Ca -0.04 0.98 0.15 0.00 -0.26 0.00 0.00 58.87 59.69 2hye n SER 1101Cb 0.55 -1.37 0.44 0.00 -0.26 0.00 0.00 64.21 63.57 2hye n SER 1101CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2hye h ARG 1102N 1.29 0.54 -0.34 4.33 9.65 -1.96 -2.01 114.38 125.88 2hye h ARG 1102Ca -0.46 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 58.42 2hye h ARG 1102Cb 1.34 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.77 2hye h ARG 1102CO 0.55 0.35 0.13 -1.35 2.80 0.00 0.00 179.97 182.46 2hye h PRO 1103N 0.55 0.28 -0.20 0.20 0.11 -2.02 -1.90 132.00 129.03 2hye h PRO 1103Ca 0.44 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.51 2hye h PRO 1103Cb 0.87 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 2hye h PRO 1103CO -0.18 0.19 0.03 0.87 -0.21 0.00 0.00 178.00 178.69 2hye h LYS 1104N 0.29 0.28 -0.04 1.05 1.57 -1.73 -2.50 116.57 115.50 2hye h LYS 1104Ca 0.15 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2hye h LYS 1104Cb 0.11 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2hye h LYS 1104CO -0.14 0.28 -0.35 0.52 -0.57 0.00 0.00 179.45 179.19 2hye h MET 1105N 0.28 -0.40 -0.15 3.15 2.86 -1.09 -0.23 114.93 119.35 2hye h MET 1105Ca 0.07 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2hye h MET 1105Cb 0.15 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 2hye h MET 1105CO 0.00 -0.27 0.06 1.96 1.06 0.00 0.00 176.91 179.72 2hye h GLN 1106N -0.41 0.20 -0.03 1.72 4.20 -1.52 0.22 115.11 119.50 2hye h GLN 1106Ca 0.01 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2hye h GLN 1106Cb 0.46 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2hye h GLN 1106CO -0.26 0.17 0.00 -1.91 -0.67 0.00 0.00 178.83 176.17 2hye n GLU 1107N -4.47 0.38 0.00 1.46 2.13 -0.14 -2.11 120.64 117.89 2hye n GLU 1107Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 2hye n GLU 1107Cb 0.11 -1.01 0.00 0.00 0.27 0.00 0.00 31.44 30.81 2hye n GLU 1107CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2hye n VAL 1108N -0.44 0.00 0.86 6.31 0.31 0.04 -4.59 118.33 120.82 2hye n VAL 1108Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 2hye n VAL 1108Cb 0.01 -0.69 0.42 0.00 -0.91 0.00 0.00 33.84 32.67 2hye n VAL 1108CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2hye n VAL 1109N -2.46 0.17 -1.51 2.52 0.24 -1.06 -4.63 118.33 111.60 2hye n VAL 1109Ca 0.00 0.04 -0.24 0.00 -2.04 0.00 0.00 64.34 62.11 2hye n VAL 1109Cb 0.35 -0.81 -0.20 0.00 -1.47 0.00 0.00 33.84 31.71 2hye n VAL 1109CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hye n ALA 1110N -1.08 0.92 -0.99 2.33 0.00 -0.90 0.13 120.51 120.91 2hye n ALA 1110Ca 0.10 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2hye n ALA 1110Cb 0.07 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.01 2hye n ALA 1110CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2hye n ASN 1111N 8.05 -2.64 -4.75 0.00 3.02 -1.26 -5.01 115.26 112.67 2hye n ASN 1111Ca 0.64 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.78 2hye n ASN 1111Cb 0.17 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.69 2hye n ASN 1111CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2hye s LEU 1112N 0.00 4.43 0.00 3.41 2.96 0.34 -4.92 118.68 124.90 2hye s LEU 1112Ca 0.00 2.55 0.00 0.00 -0.22 0.00 0.00 54.13 56.46 2hye s LEU 1112Cb 0.00 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 43.06 2hye s LEU 1112CO 0.00 -0.52 0.00 0.00 -1.32 0.00 0.00 176.35 174.51 2hye n GLN 1113N 1.70 2.45 0.00 1.98 6.02 -1.26 -3.77 117.38 124.50 2hye n GLN 1113Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 2hye n GLN 1113Cb 0.42 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.68 2hye n GLN 1113CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2hye n TYR 1114N 0.00 0.00 0.00 1.08 9.36 -1.25 -4.96 117.16 121.39 2hye n TYR 1114Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2hye n TYR 1114Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 2hye n TYR 1114CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 2hye n ASP 1115N 0.00 0.00 0.00 2.98 5.75 -0.55 -4.80 116.55 119.93 2hye n ASP 1115Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2hye n ASP 1115Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2hye n ASP 1115CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2hye n ASP 1116N 0.00 0.00 -0.36 -1.12 -0.08 -1.26 -4.02 116.55 109.71 2hye n ASP 1116Ca 0.00 0.00 0.31 0.00 -1.51 0.00 0.00 54.79 53.59 2hye n ASP 1116Cb 0.00 -0.17 0.64 0.00 2.34 0.00 0.00 41.12 43.93 2hye n ASP 1116CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2hye h GLY 1117N 0.00 0.67 -3.67 0.27 0.00 -1.89 -3.39 103.07 95.07 2hye h GLY 1117Ca 0.00 -0.10 -0.31 0.00 0.00 0.00 0.00 47.33 46.92 2hye h GLY 1117CO 0.00 -0.11 -0.73 -0.45 0.00 0.00 0.00 176.54 175.25 2hye s SER 1118N -5.04 1.42 -0.67 0.19 0.15 -1.26 -5.09 113.70 103.40 2hye s SER 1118Ca -0.07 -0.82 -0.27 0.00 0.70 0.00 0.00 55.95 55.50 2hye s SER 1118Cb 0.25 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 2hye s SER 1118CO 0.81 -0.27 1.61 -0.83 1.20 0.00 0.00 173.24 175.76 2hye s GLY 1119N -2.46 0.49 -0.01 9.45 0.00 -1.26 -4.51 107.32 109.01 2hye s GLY 1119Ca 0.05 -0.96 -0.30 0.00 0.00 0.00 0.00 44.72 43.52 2hye s GLY 1119CO -0.00 3.09 1.22 -0.29 0.00 0.00 0.00 173.10 177.12 2hye s MET 1120N 6.48 0.51 0.00 2.90 -2.45 -1.26 -4.99 119.30 120.50 2hye s MET 1120Ca 0.53 -0.27 0.00 0.00 -1.25 0.00 0.00 55.69 54.70 2hye s MET 1120Cb -0.11 0.18 0.00 0.00 1.25 0.00 0.00 34.83 36.15 2hye s MET 1120CO 0.18 -0.23 0.00 1.17 1.05 0.00 0.00 175.02 177.19 2hye n LYS 1121N -0.44 0.00 -2.49 4.11 4.81 -1.26 -1.49 118.16 121.41 2hye n LYS 1121Ca -0.07 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.13 2hye n LYS 1121Cb 0.62 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.74 2hye n LYS 1121CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2hye s ARG 1122N 0.00 2.12 0.00 1.64 1.70 -1.26 -4.44 118.95 118.71 2hye s ARG 1122Ca 0.00 -0.74 0.00 0.00 -0.47 0.00 0.00 55.73 54.52 2hye s ARG 1122Cb 0.00 -2.34 0.00 0.00 -0.57 0.00 0.00 34.95 32.04 2hye s ARG 1122CO 0.00 -1.13 0.00 -0.85 -1.08 0.00 0.00 175.30 172.24 2hye n GLU 1123N -2.69 -0.36 0.00 3.89 0.00 -1.25 -3.87 120.64 116.36 2hye n GLU 1123Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.26 2hye n GLU 1123Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.04 2hye n GLU 1123CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2hye n ALA 1124N -3.00 0.00 -1.00 -1.84 0.00 -1.25 -4.86 120.51 108.56 2hye n ALA 1124Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hye n ALA 1124Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hye n ALA 1124CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2hye n THR 1125N 0.00 0.00 0.47 0.00 -2.24 -1.26 -4.74 114.28 106.51 2hye n THR 1125Ca 0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 2hye n THR 1125Cb 0.00 -1.53 -0.09 0.00 -2.10 0.00 0.00 70.33 66.61 2hye n THR 1125CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hye h ALA 1126N -2.00 -1.18 0.00 6.98 0.00 -1.95 -3.11 119.26 117.99 2hye h ALA 1126Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2hye h ALA 1126Cb 0.00 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2hye h ALA 1126CO 0.00 -1.14 0.00 -0.25 0.00 0.00 0.00 179.25 177.86 2hye n ASP 1127N -5.58 0.00 -0.12 0.00 8.00 -1.26 0.74 116.55 118.33 2hye n ASP 1127Ca -0.15 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.11 2hye n ASP 1127Cb 0.47 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.49 2hye n ASP 1127CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2hye n ASP 1128N -0.46 1.82 0.20 -2.24 8.00 -1.17 -4.16 116.55 118.54 2hye n ASP 1128Ca 0.00 0.31 -0.15 0.00 0.71 0.00 0.00 54.79 55.67 2hye n ASP 1128Cb 0.00 -0.75 -0.08 0.00 -0.02 0.00 0.00 41.12 40.27 2hye n ASP 1128CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2hye h LEU 1129N -0.92 -0.40 -0.93 0.64 -0.00 0.21 -2.28 115.31 111.62 2hye h LEU 1129Ca -0.51 -0.06 0.21 0.00 -0.00 0.00 0.00 57.88 57.51 2hye h LEU 1129Cb 1.43 0.10 -0.17 0.00 -0.00 0.00 0.00 40.66 42.02 2hye h LEU 1129CO -0.31 -0.19 -0.12 0.40 -0.00 0.00 0.00 178.44 178.22 2hye h ILE 1130N -0.61 0.09 0.25 1.22 2.04 -1.48 1.36 117.51 120.38 2hye h ILE 1130Ca -0.05 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.81 2hye h ILE 1130Cb 0.44 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 2hye h ILE 1130CO 0.08 0.00 -0.43 0.50 0.00 0.00 0.00 178.15 178.31 2hye h LYS 1131N 0.02 -0.72 0.82 2.37 1.63 -1.63 0.38 116.57 119.44 2hye h LYS 1131Ca 0.49 0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 60.30 2hye h LYS 1131Cb 0.86 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.66 2hye h LYS 1131CO -0.91 -0.48 -0.46 0.28 -3.45 0.00 0.00 179.45 174.43 2hye h VAL 1132N -0.75 0.08 -0.15 2.00 2.07 0.14 0.40 116.25 120.04 2hye h VAL 1132Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2hye h VAL 1132Cb 0.72 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2hye h VAL 1132CO -0.17 0.00 -0.23 0.58 0.02 0.00 0.00 177.57 177.77 2hye h VAL 1133N -1.18 0.00 -0.48 2.57 2.07 0.14 0.96 116.25 120.33 2hye h VAL 1133Ca -0.11 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.46 2hye h VAL 1133Cb 0.93 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.64 2hye h VAL 1133CO 0.14 0.00 -0.34 -0.08 0.02 0.00 0.00 177.57 177.32 2hye h GLU 1134N -0.18 -0.07 -0.27 1.57 4.57 -0.19 0.70 114.58 120.71 2hye h GLU 1134Ca 0.03 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.29 2hye h GLU 1134Cb 0.25 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 2hye h GLU 1134CO -0.24 -0.05 0.32 1.49 -1.18 0.00 0.00 179.01 179.35 2hye h GLU 1135N -0.07 0.00 0.00 1.92 4.22 0.36 0.78 114.58 121.79 2hye h GLU 1135Ca 0.08 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.45 2hye h GLU 1135Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2hye h GLU 1135CO -0.48 0.00 -0.70 1.25 -2.18 0.00 0.00 179.01 176.90 2hye h LEU 1136N 0.00 0.00 -0.14 1.64 6.46 0.68 -3.23 115.31 120.71 2hye h LEU 1136Ca 0.13 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2hye h LEU 1136Cb 0.76 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.69 2hye h LEU 1136CO -0.00 0.29 0.00 0.35 -0.62 0.00 0.00 178.44 178.46 2hye n THR 1137N -3.00 0.04 0.85 1.05 -2.24 0.70 -3.60 114.28 108.08 2hye n THR 1137Ca -0.01 -0.03 0.12 0.00 -2.27 0.00 0.00 64.05 61.86 2hye n THR 1137Cb 0.67 -0.01 0.31 0.00 -2.10 0.00 0.00 70.33 69.20 2hye n THR 1137CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2hye n ARG 1138N -0.41 0.10 0.00 -0.78 5.12 -1.22 -4.03 116.66 115.44 2hye n ARG 1138Ca 0.01 0.04 0.15 0.00 -1.93 0.00 0.00 57.85 56.11 2hye n ARG 1138Cb 0.03 -1.57 0.71 0.00 -1.16 0.00 0.00 32.46 30.47 2hye n ARG 1138CO 0.00 0.00 0.00 0.44 -1.93 0.00 0.00 177.63 176.14 2hye n ILE 1139N -1.72 0.00 -1.12 0.55 -0.00 -1.24 -4.88 119.36 110.95 2hye n ILE 1139Ca 0.05 -0.14 0.00 0.00 -0.00 0.00 0.00 62.75 62.66 2hye n ILE 1139Cb 0.37 0.06 0.00 0.00 -0.00 0.00 0.00 39.64 40.08 2hye n ILE 1139CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55