#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8c s SER 2 N 0.00 4.30 -0.42 3.17 0.15 -1.26 -5.11 113.70 114.53 3i8c s SER 2 Ca 0.00 -0.17 0.02 0.00 0.70 0.00 0.00 55.95 56.50 3i8c s SER 2 Cb 0.00 -1.24 0.14 0.00 -1.71 0.00 0.00 66.02 63.21 3i8c s SER 2 CO 0.00 0.29 0.24 -0.31 1.20 0.00 0.00 173.24 174.65 3i8c s TYR 3 N -0.36 1.69 0.22 3.44 2.02 -1.26 -4.06 117.35 119.03 3i8c s TYR 3 Ca 0.04 -2.25 0.07 0.00 -0.37 0.00 0.00 57.07 54.56 3i8c s TYR 3 Cb -0.12 -1.65 -0.05 0.00 -0.40 0.00 0.00 41.96 39.74 3i8c s TYR 3 CO 0.02 -0.79 -0.11 -0.80 -1.57 0.00 0.00 175.55 172.30 3i8c s ASN 4 N 0.49 2.49 -0.04 2.29 0.01 0.11 -1.10 114.94 119.20 3i8c s ASN 4 Ca 0.18 -1.07 0.00 0.00 -0.71 0.00 0.00 52.86 51.27 3i8c s ASN 4 Cb -0.23 -0.12 0.03 0.00 0.41 0.00 0.00 41.25 41.34 3i8c s ASN 4 CO -0.00 -0.24 0.00 -0.47 -1.51 0.00 0.00 177.10 174.87 3i8c s TYR 5 N -3.04 0.38 -0.05 2.20 5.04 -0.91 -0.93 117.35 120.04 3i8c s TYR 5 Ca 0.24 -0.02 0.06 0.00 -2.44 0.00 0.00 57.07 54.91 3i8c s TYR 5 Cb 0.01 -0.49 -0.01 0.00 0.35 0.00 0.00 41.96 41.82 3i8c s TYR 5 CO 0.07 -0.17 -0.24 0.14 -1.34 0.00 0.00 175.55 174.02 3i8c s VAL 6 N 1.22 1.96 0.07 3.14 -7.23 0.16 -1.27 120.40 118.47 3i8c s VAL 6 Ca -0.07 -1.03 0.02 0.00 -1.81 0.00 0.00 61.98 59.09 3i8c s VAL 6 Cb -0.13 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 3i8c s VAL 6 CO -0.02 0.55 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.56 3i8c s VAL 7 N -0.22 0.58 0.04 1.32 1.01 -1.06 -1.18 120.40 120.90 3i8c s VAL 7 Ca -0.01 -1.65 -0.24 0.00 0.00 0.00 0.00 61.98 60.08 3i8c s VAL 7 Cb -0.13 -1.32 -0.06 0.00 0.00 0.00 0.00 36.38 34.88 3i8c s VAL 7 CO 0.03 -0.74 0.73 -0.89 0.00 0.00 0.00 175.10 174.23 3i8c s THR 8 N -2.95 4.74 -0.14 3.92 2.01 -1.26 -1.02 115.64 120.94 3i8c s THR 8 Ca 0.04 1.56 0.13 0.00 0.31 0.00 0.00 61.69 63.73 3i8c s THR 8 Cb 0.01 -4.08 -0.19 0.00 0.01 0.00 0.00 72.50 68.25 3i8c s THR 8 CO -0.04 0.39 0.07 0.00 -0.69 0.00 0.00 174.62 174.35 3i8c n ALA 9 N 2.69 1.69 -3.70 7.40 0.00 0.17 -4.92 120.51 123.84 3i8c n ALA 9 Ca -0.04 -0.94 -0.13 0.00 0.00 0.00 0.00 53.44 52.33 3i8c n ALA 9 Cb 0.50 -0.09 -0.13 0.00 0.00 0.00 0.00 19.45 19.73 3i8c n ALA 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3i8c s GLN 10 N -2.40 0.18 0.59 0.00 2.00 -0.87 -4.93 119.66 114.24 3i8c s GLN 10 Ca -0.07 0.62 -0.17 0.00 -2.00 0.00 0.00 55.36 53.75 3i8c s GLN 10 Cb 0.05 -0.09 -0.03 0.00 0.80 0.00 0.00 33.01 33.73 3i8c s GLN 10 CO 0.61 -0.22 1.09 0.15 -0.50 0.00 0.00 175.29 176.42 3i8c s LYS 11 N 1.78 3.19 0.56 1.67 1.02 -1.26 -1.01 119.74 125.70 3i8c s LYS 11 Ca -0.05 1.37 -0.19 0.00 0.02 0.00 0.00 55.97 57.13 3i8c s LYS 11 Cb -0.11 -2.00 -0.07 0.00 -0.52 0.00 0.00 37.83 35.12 3i8c s LYS 11 CO -0.08 -0.93 0.74 -0.35 -0.92 0.00 0.00 175.35 173.80 3i8c n PRO 12 N -1.90 0.73 0.00 -1.68 -0.04 -1.26 -4.17 135.00 126.68 3i8c n PRO 12 Ca 0.10 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 3i8c n PRO 12 Cb 0.52 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 3i8c n PRO 12 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3i8c n THR 13 N -1.58 0.00 -2.65 0.52 -2.24 -0.73 -4.81 114.28 102.80 3i8c n THR 13 Ca 0.12 -0.40 -0.33 0.00 -2.27 0.00 0.00 64.05 61.17 3i8c n THR 13 Cb 0.46 1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 69.68 3i8c n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8c s ALA 14 N -0.66 2.95 -0.31 6.98 0.00 0.11 -4.63 121.76 126.20 3i8c s ALA 14 Ca 0.00 0.49 -0.09 0.00 0.00 0.00 0.00 51.96 52.36 3i8c s ALA 14 Cb 0.00 -3.20 -0.00 0.00 0.00 0.00 0.00 23.12 19.92 3i8c s ALA 14 CO 0.00 -0.12 0.15 0.08 0.00 0.00 0.00 175.76 175.87 3i8c s VAL 15 N -2.11 4.54 -0.12 0.00 1.01 -1.00 -4.52 120.40 118.20 3i8c s VAL 15 Ca 0.64 -0.47 0.17 0.00 0.00 0.00 0.00 61.98 62.32 3i8c s VAL 15 Cb -0.13 -3.33 -0.22 0.00 0.00 0.00 0.00 36.38 32.69 3i8c s VAL 15 CO 0.18 0.05 0.46 0.59 0.00 0.00 0.00 175.10 176.37 3i8c n ASN 16 N 4.97 0.43 -3.50 3.32 3.02 -0.60 -4.40 115.26 118.50 3i8c n ASN 16 Ca -0.14 0.20 -0.17 0.00 -0.03 0.00 0.00 54.58 54.44 3i8c n ASN 16 Cb 0.49 0.66 -0.05 0.00 -0.61 0.00 0.00 39.78 40.26 3i8c n ASN 16 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3i8c s GLY 17 N -5.09 -0.58 -0.12 7.41 0.00 -1.08 -4.86 107.32 103.00 3i8c s GLY 17 Ca -0.07 1.18 -0.29 0.00 0.00 0.00 0.00 44.72 45.54 3i8c s GLY 17 CO 0.83 0.82 0.76 0.00 0.00 0.00 0.00 173.10 175.51 3i8c s VAL 19 N -0.83 0.04 0.09 0.00 0.11 0.35 -4.87 120.40 115.29 3i8c s VAL 19 Ca -0.07 -0.29 0.08 0.00 -2.93 0.00 0.00 61.98 58.76 3i8c s VAL 19 Cb -0.01 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 34.02 3i8c s VAL 19 CO 0.06 -0.16 -0.20 0.28 -3.33 0.00 0.00 175.10 171.75 3i8c s THR 20 N -1.36 1.62 -4.27 5.04 -1.32 -1.26 -0.13 115.64 113.95 3i8c s THR 20 Ca -0.12 -1.43 0.00 0.00 -1.21 0.00 0.00 61.69 58.93 3i8c s THR 20 Cb -0.03 -1.47 0.00 0.00 -1.51 0.00 0.00 72.50 69.49 3i8c s THR 20 CO 0.06 -0.02 0.00 0.61 -2.21 0.00 0.00 174.62 173.06 3i8c n GLY 21 N 1.28 -1.17 3.28 6.08 0.00 -0.82 -4.94 105.19 108.91 3i8c n GLY 21 Ca -0.19 -1.14 -0.45 0.00 0.00 0.00 0.00 46.02 44.24 3i8c n GLY 21 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i8c s HIS 22 N -3.00 3.79 -0.09 1.61 3.76 -1.26 0.40 115.29 120.50 3i8c s HIS 22 Ca 0.00 -2.27 0.08 0.00 -0.15 0.00 0.00 55.06 52.73 3i8c s HIS 22 Cb 0.00 -3.70 -0.12 0.00 1.11 0.00 0.00 32.58 29.88 3i8c s HIS 22 CO 0.00 -0.95 0.04 0.34 -0.85 0.00 0.00 174.74 173.32 3i8c n PHE 23 N 3.62 0.00 -0.07 1.40 7.35 -1.26 -1.94 117.46 126.56 3i8c n PHE 23 Ca 0.15 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.75 3i8c n PHE 23 Cb 0.44 -0.46 -0.07 0.00 0.35 0.00 0.00 39.48 39.74 3i8c n PHE 23 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3i8c h THR 24 N 0.00 0.83 -3.56 -2.13 2.02 -1.90 -3.38 112.91 104.79 3i8c h THR 24 Ca -0.25 -1.69 -0.37 0.00 0.77 0.00 0.00 66.41 64.87 3i8c h THR 24 Cb 1.55 1.64 -0.14 0.00 -1.74 0.00 0.00 68.15 69.46 3i8c h THR 24 CO 0.01 0.28 -0.62 -0.44 0.37 0.00 0.00 175.52 175.12 3i8c s SER 25 N -6.02 1.47 0.30 4.18 0.01 -1.26 -4.97 113.70 107.42 3i8c s SER 25 Ca -0.13 -1.34 0.16 0.00 1.31 0.00 0.00 55.95 55.95 3i8c s SER 25 Cb -0.00 0.10 0.18 0.00 0.21 0.00 0.00 66.02 66.50 3i8c s SER 25 CO 0.38 -0.67 1.50 0.00 0.41 0.00 0.00 173.24 174.86 3i8c h ALA 26 N 2.38 0.73 -2.93 1.44 0.00 -1.86 -3.36 119.26 115.67 3i8c h ALA 26 Ca -0.39 -0.41 -0.69 0.00 0.00 0.00 0.00 54.91 53.43 3i8c h ALA 26 Cb 1.24 -0.07 -0.25 0.00 0.00 0.00 0.00 17.79 18.71 3i8c h ALA 26 CO 0.63 0.56 -0.57 -1.83 0.00 0.00 0.00 179.25 178.04 3i8c s GLU 27 N -3.06 3.04 0.00 0.00 4.04 -1.26 -4.94 118.70 116.52 3i8c s GLU 27 Ca 0.04 -0.91 0.00 0.00 0.04 0.00 0.00 54.97 54.14 3i8c s GLU 27 Cb 0.08 -3.54 0.00 0.00 0.02 0.00 0.00 34.13 30.69 3i8c s GLU 27 CO 0.73 -0.53 0.00 -0.25 -1.84 0.00 0.00 175.26 173.37 3i8c n ASP 28 N 4.93 0.00 -4.46 0.83 9.92 -1.26 -5.05 116.55 121.47 3i8c n ASP 28 Ca -0.13 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 53.74 3i8c n ASP 28 Cb 0.47 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.84 3i8c n ASP 28 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3i8c s LEU 29 N 0.00 4.17 -0.06 0.64 2.96 -1.26 -4.03 118.68 121.10 3i8c s LEU 29 Ca 0.00 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.41 3i8c s LEU 29 Cb 0.00 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 3i8c s LEU 29 CO 0.00 -0.19 0.07 0.20 -1.32 0.00 0.00 176.35 175.11 3i8c s ASN 30 N 1.64 5.71 -0.20 3.68 0.01 0.16 -0.70 114.94 125.25 3i8c s ASN 30 Ca 0.05 0.23 -0.07 0.00 -0.71 0.00 0.00 52.86 52.36 3i8c s ASN 30 Cb -0.17 -1.69 -0.04 0.00 0.41 0.00 0.00 41.25 39.77 3i8c s ASN 30 CO 0.07 0.34 0.05 -0.22 -1.51 0.00 0.00 177.10 175.84 3i8c s LEU 31 N -1.26 3.65 -0.20 0.60 2.96 -0.91 -1.94 118.68 121.57 3i8c s LEU 31 Ca 0.18 -0.02 -0.06 0.00 -0.22 0.00 0.00 54.13 54.01 3i8c s LEU 31 Cb -0.12 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 3i8c s LEU 31 CO 0.07 0.12 0.02 -0.76 -1.32 0.00 0.00 176.35 174.49 3i8c s LEU 32 N 0.69 3.38 -0.11 -0.68 1.02 0.81 -0.17 118.68 123.61 3i8c s LEU 32 Ca 0.03 -0.16 0.02 0.00 0.02 0.00 0.00 54.13 54.04 3i8c s LEU 32 Cb -0.13 -1.86 0.01 0.00 0.02 0.00 0.00 46.19 44.22 3i8c s LEU 32 CO 0.02 0.07 -0.17 -0.63 0.02 0.00 0.00 176.35 175.65 3i8c s ILE 33 N 0.99 1.64 -0.26 -0.59 1.01 0.43 -0.49 121.20 123.93 3i8c s ILE 33 Ca 0.02 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 3i8c s ILE 33 Cb -0.14 -1.48 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 3i8c s ILE 33 CO 0.02 0.47 0.26 0.00 0.00 0.00 0.00 174.94 175.69 3i8c s ALA 34 N 0.87 3.56 0.00 9.38 0.00 0.29 0.15 121.76 136.01 3i8c s ALA 34 Ca -0.08 -0.92 0.00 0.00 0.00 0.00 0.00 51.96 50.96 3i8c s ALA 34 Cb -0.15 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.44 3i8c s ALA 34 CO -0.00 -0.48 0.00 1.63 0.00 0.00 0.00 175.76 176.90 3i8c n LYS 35 N 4.93 0.00 0.00 0.00 4.01 -0.36 -1.56 118.16 125.18 3i8c n LYS 35 Ca -0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.68 3i8c n LYS 35 Cb 0.52 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.04 3i8c n LYS 35 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 3i8c n ASN 36 N 0.00 0.00 -1.71 4.39 5.15 -1.26 -4.00 115.26 117.83 3i8c n ASN 36 Ca 0.00 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.82 3i8c n ASN 36 Cb 0.00 -0.01 0.16 0.00 -0.53 0.00 0.00 39.78 39.40 3i8c n ASN 36 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3i8c n THR 37 N -2.42 2.89 -3.83 -0.44 -2.24 -1.26 -1.07 114.28 105.91 3i8c n THR 37 Ca 0.00 -2.69 -0.13 0.00 -2.27 0.00 0.00 64.05 58.96 3i8c n THR 37 Cb 0.00 -0.55 -0.14 0.00 -2.10 0.00 0.00 70.33 67.53 3i8c n THR 37 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3i8c s ARG 38 N -3.38 0.02 -0.13 -0.78 1.81 -1.26 -1.23 118.95 114.01 3i8c s ARG 38 Ca 0.52 0.10 0.01 0.00 -1.72 0.00 0.00 55.73 54.63 3i8c s ARG 38 Cb 0.44 -0.05 0.02 0.00 -0.45 0.00 0.00 34.95 34.91 3i8c s ARG 38 CO 0.03 -0.05 -0.15 -1.17 -0.68 0.00 0.00 175.30 173.29 3i8c s LEU 39 N 0.31 1.69 -0.09 2.53 2.96 0.39 -1.22 118.68 125.26 3i8c s LEU 39 Ca -0.02 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3i8c s LEU 39 Cb -0.04 -1.12 -0.02 0.00 0.50 0.00 0.00 46.19 45.51 3i8c s LEU 39 CO -0.01 -0.02 -0.12 -1.61 -1.32 0.00 0.00 176.35 173.28 3i8c s GLU 40 N 1.22 2.91 -0.14 1.98 2.02 0.12 -1.31 118.70 125.49 3i8c s GLU 40 Ca -0.01 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 54.34 3i8c s GLU 40 Cb -0.14 -2.54 0.02 0.00 0.10 0.00 0.00 34.13 31.57 3i8c s GLU 40 CO -0.06 0.48 -0.16 0.42 0.02 0.00 0.00 175.26 175.96 3i8c s ILE 41 N -0.34 1.66 0.24 -1.63 1.01 -0.60 -0.43 121.20 121.11 3i8c s ILE 41 Ca 0.04 -0.71 0.10 0.00 0.00 0.00 0.00 60.65 60.08 3i8c s ILE 41 Cb -0.13 -1.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 3i8c s ILE 41 CO 0.02 0.47 -0.19 -0.31 0.00 0.00 0.00 174.94 174.94 3i8c s TYR 42 N 1.27 2.07 -0.14 3.97 1.51 0.76 -1.86 117.35 124.93 3i8c s TYR 42 Ca 0.01 -0.42 -0.00 0.00 -1.01 0.00 0.00 57.07 55.65 3i8c s TYR 42 Cb -0.14 -0.94 -0.01 0.00 -0.11 0.00 0.00 41.96 40.76 3i8c s TYR 42 CO -0.08 0.55 -0.12 0.08 -1.11 0.00 0.00 175.55 174.87 3i8c s VAL 43 N -2.51 3.07 0.18 0.71 1.01 0.72 -2.14 120.40 121.43 3i8c s VAL 43 Ca 0.25 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.28 3i8c s VAL 43 Cb -0.04 -2.30 -0.08 0.00 0.00 0.00 0.00 36.38 33.97 3i8c s VAL 43 CO 0.11 0.52 1.00 -0.69 0.00 0.00 0.00 175.10 176.04 3i8c s VAL 44 N 0.45 4.12 0.30 2.92 1.01 0.13 0.19 120.40 129.53 3i8c s VAL 44 Ca -0.09 1.93 -0.05 0.00 0.00 0.00 0.00 61.98 63.77 3i8c s VAL 44 Cb -0.16 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 3i8c s VAL 44 CO 0.05 0.37 0.43 0.42 0.00 0.00 0.00 175.10 176.37 3i8c s THR 45 N -0.56 0.00 0.26 3.92 -4.23 0.38 -4.74 115.64 110.68 3i8c s THR 45 Ca 0.45 -1.61 -0.09 0.00 -1.18 0.00 0.00 61.69 59.27 3i8c s THR 45 Cb -0.26 -2.52 0.39 0.00 1.34 0.00 0.00 72.50 71.45 3i8c s THR 45 CO 0.33 0.00 1.58 0.00 -0.54 0.00 0.00 174.62 175.99 3i8c h ALA 46 N 2.21 0.64 -0.10 3.99 0.00 -2.02 0.34 119.26 124.31 3i8c h ALA 46 Ca -0.29 0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3i8c h ALA 46 Cb 1.24 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 3i8c h ALA 46 CO 0.40 -0.41 -0.34 1.49 0.00 0.00 0.00 179.25 180.39 3i8c h GLU 47 N 0.01 0.21 0.00 0.00 4.22 -2.00 -3.49 114.58 113.52 3i8c h GLU 47 Ca 0.44 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.80 3i8c h GLU 47 Cb 0.70 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3i8c h GLU 47 CO -0.91 0.53 0.00 0.41 -2.18 0.00 0.00 179.01 176.86 3i8c n GLY 48 N -0.37 0.49 3.62 1.92 0.00 0.12 -5.11 105.19 105.86 3i8c n GLY 48 Ca -0.01 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.49 3i8c n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i8c s LEU 49 N 0.00 4.09 -0.27 0.99 2.01 -1.26 0.14 118.68 124.38 3i8c s LEU 49 Ca 0.00 0.72 -0.16 0.00 0.01 0.00 0.00 54.13 54.70 3i8c s LEU 49 Cb 0.00 -2.97 -0.03 0.00 0.01 0.00 0.00 46.19 43.19 3i8c s LEU 49 CO 0.00 -0.48 0.43 -0.60 1.01 0.00 0.00 176.35 176.71 3i8c s ARG 50 N 2.71 4.02 0.53 1.70 3.52 0.51 -4.88 118.95 127.06 3i8c s ARG 50 Ca 0.29 0.13 -0.20 0.00 -0.13 0.00 0.00 55.73 55.83 3i8c s ARG 50 Cb -0.15 -3.66 -0.06 0.00 -1.56 0.00 0.00 34.95 29.52 3i8c s ARG 50 CO 0.10 -0.32 1.12 -2.14 -0.81 0.00 0.00 175.30 173.25 3i8c s PRO 51 N 2.17 3.44 0.00 5.12 0.02 -1.26 0.26 135.00 144.75 3i8c s PRO 51 Ca 0.17 1.58 0.00 0.00 0.02 0.00 0.00 61.00 62.78 3i8c s PRO 51 Cb -0.16 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.32 3i8c s PRO 51 CO 0.10 -0.77 0.00 0.28 -0.33 0.00 0.00 177.00 176.28 3i8c n VAL 52 N -1.20 0.00 -3.48 3.83 0.31 -0.78 -4.82 118.33 112.19 3i8c n VAL 52 Ca 0.11 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.45 3i8c n VAL 52 Cb 0.51 -0.16 -0.03 0.00 -0.91 0.00 0.00 33.84 33.24 3i8c n VAL 52 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3i8c s LYS 53 N -1.44 0.49 -0.36 5.55 2.47 -1.15 -5.03 119.74 120.27 3i8c s LYS 53 Ca 0.00 1.15 -0.06 0.00 -1.56 0.00 0.00 55.97 55.50 3i8c s LYS 53 Cb 0.00 0.68 0.06 0.00 -1.46 0.00 0.00 37.83 37.11 3i8c s LYS 53 CO 0.00 -0.25 0.14 -2.00 0.16 0.00 0.00 175.35 173.40 3i8c s GLU 54 N 2.79 2.50 0.23 4.03 -6.30 -1.26 -1.56 118.70 119.14 3i8c s GLU 54 Ca -0.00 -1.35 0.09 0.00 -2.50 0.00 0.00 54.97 51.21 3i8c s GLU 54 Cb -0.11 -3.52 -0.04 0.00 0.00 0.00 0.00 34.13 30.46 3i8c s GLU 54 CO -0.19 -0.78 -0.03 0.14 0.02 0.00 0.00 175.26 174.42 3i8c s VAL 55 N 1.35 3.39 0.08 3.70 -7.23 -0.43 -4.94 120.40 116.33 3i8c s VAL 55 Ca 0.00 -1.80 0.01 0.00 -1.81 0.00 0.00 61.98 58.38 3i8c s VAL 55 Cb -0.21 -2.77 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 3i8c s VAL 55 CO 0.01 -0.28 0.21 -0.83 -0.31 0.00 0.00 175.10 173.90 3i8c s GLY 56 N -3.37 2.05 0.27 2.32 0.00 -1.26 0.15 107.32 107.48 3i8c s GLY 56 Ca 0.29 -0.91 0.11 0.00 0.00 0.00 0.00 44.72 44.21 3i8c s GLY 56 CO 0.18 -0.90 -0.19 1.06 0.00 0.00 0.00 173.10 173.25 3i8c s MET 57 N -2.67 1.63 -0.94 2.90 -1.94 -0.36 -4.84 119.30 113.09 3i8c s MET 57 Ca 0.34 -1.74 -0.03 0.00 -1.71 0.00 0.00 55.69 52.55 3i8c s MET 57 Cb -0.12 -1.68 0.21 0.00 2.01 0.00 0.00 34.83 35.24 3i8c s MET 57 CO 0.27 0.31 2.25 0.66 -0.01 0.00 0.00 175.02 178.50 3i8c n TYR 58 N -0.58 2.49 -3.61 -0.03 4.01 -1.26 -4.77 117.16 113.40 3i8c n TYR 58 Ca -0.05 -2.43 0.03 0.00 -0.16 0.00 0.00 57.90 55.28 3i8c n TYR 58 Cb 0.60 -1.42 -0.00 0.00 -0.31 0.00 0.00 39.34 38.21 3i8c n TYR 58 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3i8c s GLY 59 N -0.41 -0.45 -0.31 2.72 0.00 -1.26 -4.66 107.32 102.95 3i8c s GLY 59 Ca 0.51 0.81 -0.16 0.00 0.00 0.00 0.00 44.72 45.88 3i8c s GLY 59 CO -0.20 0.70 0.41 0.54 0.00 0.00 0.00 173.10 174.55 3i8c s LYS 60 N -2.13 3.79 0.05 2.90 1.02 -1.26 -4.09 119.74 120.01 3i8c s LYS 60 Ca 0.16 -0.14 -0.32 0.00 0.02 0.00 0.00 55.97 55.69 3i8c s LYS 60 Cb 0.06 -3.74 -0.11 0.00 -0.52 0.00 0.00 37.83 33.53 3i8c s LYS 60 CO -0.06 -0.44 1.86 -0.89 -0.92 0.00 0.00 175.35 174.90 3i8c n ILE 61 N 5.23 0.48 -0.02 2.17 5.41 -0.23 -1.71 119.36 130.69 3i8c n ILE 61 Ca -0.08 -0.09 -0.01 0.00 1.00 0.00 0.00 62.75 63.58 3i8c n ILE 61 Cb 0.50 -2.05 -0.05 0.00 -0.71 0.00 0.00 39.64 37.33 3i8c n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i8c n ALA 62 N 6.13 2.00 -3.31 -1.39 0.00 0.12 -4.87 120.51 119.20 3i8c n ALA 62 Ca 0.20 -0.28 -0.15 0.00 0.00 0.00 0.00 53.44 53.20 3i8c n ALA 62 Cb 0.35 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.65 3i8c n ALA 62 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i8c s VAL 63 N -2.24 0.11 -0.21 0.00 1.01 -0.80 -4.91 120.40 113.36 3i8c s VAL 63 Ca -0.03 0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.95 3i8c s VAL 63 Cb 0.03 -0.16 0.08 0.00 0.00 0.00 0.00 36.38 36.32 3i8c s VAL 63 CO 0.24 0.08 0.13 -0.32 0.00 0.00 0.00 175.10 175.23 3i8c s MET 64 N 0.52 0.13 0.04 2.72 0.00 -1.26 -1.33 119.30 120.12 3i8c s MET 64 Ca -0.05 -0.16 0.06 0.00 0.00 0.00 0.00 55.69 55.53 3i8c s MET 64 Cb -0.07 -1.50 -0.02 0.00 0.00 0.00 0.00 34.83 33.23 3i8c s MET 64 CO -0.01 -0.78 -0.16 -1.21 0.00 0.00 0.00 175.02 172.86 3i8c s GLU 65 N 2.17 1.10 -0.11 4.11 0.41 0.10 -4.91 118.70 121.57 3i8c s GLU 65 Ca 0.05 -0.79 -0.04 0.00 -0.41 0.00 0.00 54.97 53.78 3i8c s GLU 65 Cb -0.16 -1.14 -0.04 0.00 -1.78 0.00 0.00 34.13 31.02 3i8c s GLU 65 CO -0.18 0.29 0.05 -0.51 -0.49 0.00 0.00 175.26 174.42 3i8c s LEU 66 N -1.07 3.85 0.26 1.80 1.43 -1.26 0.32 118.68 124.01 3i8c s LEU 66 Ca 0.04 0.24 -0.18 0.00 -1.03 0.00 0.00 54.13 53.20 3i8c s LEU 66 Cb -0.08 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.25 3i8c s LEU 66 CO 0.01 0.37 0.62 0.72 0.23 0.00 0.00 176.35 178.30 3i8c s PHE 67 N -0.81 -0.00 -0.14 0.29 -0.12 -0.56 -4.96 117.98 111.67 3i8c s PHE 67 Ca 0.13 -0.41 -0.05 0.00 -0.05 0.00 0.00 56.93 56.55 3i8c s PHE 67 Cb -0.12 0.50 0.07 0.00 -0.63 0.00 0.00 43.02 42.85 3i8c s PHE 67 CO 0.03 -1.12 0.28 0.50 -0.05 0.00 0.00 175.22 174.85 3i8c s ARG 68 N -3.95 0.17 0.15 1.99 3.52 -1.26 -0.40 118.95 119.17 3i8c s ARG 68 Ca 0.15 0.72 0.00 0.00 -0.13 0.00 0.00 55.73 56.47 3i8c s ARG 68 Cb -0.04 -0.11 0.03 0.00 -1.56 0.00 0.00 34.95 33.28 3i8c s ARG 68 CO 0.06 -0.32 0.21 -0.35 -0.81 0.00 0.00 175.30 174.09 3i8c n PRO 69 N 5.35 0.51 -2.44 5.12 -0.04 -1.26 -4.78 135.00 137.45 3i8c n PRO 69 Ca -0.06 -0.60 -0.39 0.00 -0.04 0.00 0.00 63.50 62.41 3i8c n PRO 69 Cb 0.50 -0.13 -0.04 0.00 -0.04 0.00 0.00 33.50 33.78 3i8c n PRO 69 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3i8c s LYS 70 N -2.93 4.46 0.00 0.54 -0.14 -1.26 -3.20 119.74 117.21 3i8c s LYS 70 Ca 0.14 1.78 0.00 0.00 -1.36 0.00 0.00 55.97 56.53 3i8c s LYS 70 Cb -0.01 -3.00 0.00 0.00 -1.68 0.00 0.00 37.83 33.14 3i8c s LYS 70 CO 0.09 0.06 0.00 0.41 -0.76 0.00 0.00 175.35 175.15 3i8c n GLY 71 N 0.94 0.38 3.70 -3.33 0.00 -1.26 -4.98 105.19 100.64 3i8c n GLY 71 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3i8c n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i8c s GLU 72 N -0.71 4.38 0.04 1.61 0.41 -1.19 -5.00 118.70 118.23 3i8c s GLU 72 Ca 0.00 0.91 -0.25 0.00 -0.41 0.00 0.00 54.97 55.22 3i8c s GLU 72 Cb 0.00 -3.50 -0.17 0.00 -1.78 0.00 0.00 34.13 28.68 3i8c s GLU 72 CO 0.00 -0.08 1.50 0.66 -0.49 0.00 0.00 175.26 176.85 3i8c h SER 73 N 7.00 -0.17 -4.66 -0.19 4.64 -1.93 -3.47 113.55 114.76 3i8c h SER 73 Ca -0.37 -0.16 -0.46 0.00 -0.47 0.00 0.00 61.79 60.33 3i8c h SER 73 Cb 1.17 0.04 -0.14 0.00 -0.31 0.00 0.00 62.40 63.17 3i8c h SER 73 CO 0.78 0.06 -0.53 -1.59 -0.87 0.00 0.00 176.83 174.67 3i8c s LYS 74 N -5.35 1.71 0.63 4.77 -2.85 -1.26 -4.77 119.74 112.62 3i8c s LYS 74 Ca -0.15 -2.00 -0.17 0.00 -1.00 0.00 0.00 55.97 52.66 3i8c s LYS 74 Cb 0.04 -0.11 -0.02 0.00 -2.06 0.00 0.00 37.83 35.69 3i8c s LYS 74 CO 0.63 -0.51 1.14 -0.51 0.10 0.00 0.00 175.35 176.21 3i8c s ASP 75 N -3.43 5.17 0.20 0.03 -0.00 -0.82 -4.90 116.67 112.93 3i8c s ASP 75 Ca 0.34 2.14 0.11 0.00 -0.00 0.00 0.00 52.55 55.15 3i8c s ASP 75 Cb 0.04 -2.57 -0.04 0.00 -0.00 0.00 0.00 42.92 40.34 3i8c s ASP 75 CO 0.19 -1.59 -0.22 -0.76 -0.00 0.00 0.00 175.17 172.79 3i8c s LEU 76 N -4.50 2.51 -0.22 1.23 1.43 0.46 -4.68 118.68 114.91 3i8c s LEU 76 Ca 0.71 -0.85 -0.07 0.00 -1.03 0.00 0.00 54.13 52.90 3i8c s LEU 76 Cb -0.24 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 3i8c s LEU 76 CO 0.37 0.11 0.05 -0.22 0.23 0.00 0.00 176.35 176.89 3i8c s LEU 77 N -2.76 3.48 -0.17 1.79 2.96 0.16 -1.50 118.68 122.63 3i8c s LEU 77 Ca 0.22 -0.13 -0.13 0.00 -0.22 0.00 0.00 54.13 53.87 3i8c s LEU 77 Cb -0.08 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 3i8c s LEU 77 CO 0.11 0.05 0.24 0.12 -1.32 0.00 0.00 176.35 175.55 3i8c s PHE 78 N 1.09 3.44 -0.06 5.38 5.36 0.15 0.95 117.98 134.30 3i8c s PHE 78 Ca 0.04 0.51 -0.00 0.00 -0.96 0.00 0.00 56.93 56.52 3i8c s PHE 78 Cb -0.14 -2.29 0.02 0.00 -0.34 0.00 0.00 43.02 40.28 3i8c s PHE 78 CO 0.03 0.25 -0.03 0.42 -1.46 0.00 0.00 175.22 174.43 3i8c s ILE 79 N 0.44 0.50 -0.13 3.12 -1.09 -0.50 -0.73 121.20 122.81 3i8c s ILE 79 Ca 0.14 -0.02 0.01 0.00 -2.23 0.00 0.00 60.65 58.54 3i8c s ILE 79 Cb -0.12 -0.59 -0.01 0.00 -1.58 0.00 0.00 42.46 40.16 3i8c s ILE 79 CO 0.02 0.25 -0.15 -0.22 -1.23 0.00 0.00 174.94 173.61 3i8c s LEU 80 N 1.48 2.54 0.40 2.97 2.96 -0.44 -0.89 118.68 127.70 3i8c s LEU 80 Ca -0.02 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.35 3i8c s LEU 80 Cb -0.13 -1.56 -0.07 0.00 0.50 0.00 0.00 46.19 44.92 3i8c s LEU 80 CO -0.03 0.14 0.79 -0.89 -1.32 0.00 0.00 176.35 175.04 3i8c s THR 81 N 0.52 4.73 0.64 3.68 2.01 0.20 0.16 115.64 127.58 3i8c s THR 81 Ca -0.10 0.76 0.36 0.00 0.31 0.00 0.00 61.69 63.02 3i8c s THR 81 Cb -0.16 -3.71 0.38 0.00 0.01 0.00 0.00 72.50 69.02 3i8c s THR 81 CO 0.04 -0.48 2.17 0.00 -0.69 0.00 0.00 174.62 175.66 3i8c h ALA 82 N 1.40 1.34 -0.58 7.40 0.00 -1.66 0.11 119.26 127.27 3i8c h ALA 82 Ca -0.47 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.20 3i8c h ALA 82 Cb 1.18 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 3i8c h ALA 82 CO 0.64 -0.17 0.19 1.63 0.00 0.00 0.00 179.25 181.53 3i8c n LYS 83 N -3.26 2.62 -1.28 0.00 5.02 -1.26 -4.94 118.16 115.06 3i8c n LYS 83 Ca -0.02 -3.07 -0.10 0.00 -2.02 0.00 0.00 58.31 53.11 3i8c n LYS 83 Cb 0.22 -2.01 -0.04 0.00 -0.02 0.00 0.00 35.03 33.18 3i8c n LYS 83 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i8c n TYR 84 N -0.77 0.00 -1.95 2.13 4.02 0.38 -4.81 117.16 116.16 3i8c n TYR 84 Ca 0.39 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.86 3i8c n TYR 84 Cb 1.25 -2.11 -0.03 0.00 -0.02 0.00 0.00 39.34 38.43 3i8c n TYR 84 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3i8c s ASN 85 N -2.60 6.63 0.16 7.72 -0.87 -1.26 0.08 114.94 124.81 3i8c s ASN 85 Ca 0.00 2.36 0.08 0.00 -1.57 0.00 0.00 52.86 53.73 3i8c s ASN 85 Cb 0.00 -2.54 -0.04 0.00 -0.02 0.00 0.00 41.25 38.65 3i8c s ASN 85 CO 0.00 -0.92 -0.09 0.00 -2.57 0.00 0.00 177.10 173.52 3i8c s ALA 86 N 3.61 2.97 0.04 0.60 0.00 0.17 -0.63 121.76 128.52 3i8c s ALA 86 Ca 0.75 -1.42 -0.27 0.00 0.00 0.00 0.00 51.96 51.02 3i8c s ALA 86 Cb -0.36 -0.79 0.09 0.00 0.00 0.00 0.00 23.12 22.06 3i8c s ALA 86 CO 0.32 0.50 0.76 0.00 0.00 0.00 0.00 175.76 177.34 3i8c s ILE 88 N -2.95 2.83 0.04 0.00 1.01 -0.32 -1.40 121.20 120.40 3i8c s ILE 88 Ca 0.01 -0.79 0.08 0.00 0.00 0.00 0.00 60.65 59.94 3i8c s ILE 88 Cb -0.01 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 3i8c s ILE 88 CO -0.07 0.57 -0.22 -0.76 0.00 0.00 0.00 174.94 174.46 3i8c s LEU 89 N -0.42 2.16 -0.03 2.97 1.43 0.27 -1.37 118.68 123.69 3i8c s LEU 89 Ca 0.05 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 3i8c s LEU 89 Cb -0.12 -1.03 -0.01 0.00 0.03 0.00 0.00 46.19 45.06 3i8c s LEU 89 CO 0.02 0.18 -0.17 -0.70 0.23 0.00 0.00 176.35 175.91 3i8c s GLU 90 N -1.17 1.59 -0.25 1.70 2.12 -0.42 0.40 118.70 122.68 3i8c s GLU 90 Ca 0.08 -0.61 -0.20 0.00 0.36 0.00 0.00 54.97 54.60 3i8c s GLU 90 Cb -0.09 -1.45 -0.02 0.00 0.26 0.00 0.00 34.13 32.83 3i8c s GLU 90 CO 0.02 0.30 0.63 -0.47 -0.54 0.00 0.00 175.26 175.20 3i8c s TYR 91 N -0.16 3.29 -0.23 5.30 5.04 -1.26 -0.96 117.35 128.37 3i8c s TYR 91 Ca 0.01 0.83 -0.00 0.00 -2.44 0.00 0.00 57.07 55.46 3i8c s TYR 91 Cb -0.09 -2.84 0.06 0.00 0.35 0.00 0.00 41.96 39.44 3i8c s TYR 91 CO 0.01 -0.31 -0.02 0.21 -1.34 0.00 0.00 175.55 174.10 3i8c s LYS 92 N 2.45 1.25 -0.39 4.97 2.47 -0.23 -4.93 119.74 125.34 3i8c s LYS 92 Ca 0.26 -0.81 -0.13 0.00 -1.56 0.00 0.00 55.97 53.73 3i8c s LYS 92 Cb -0.16 -2.41 0.02 0.00 -1.46 0.00 0.00 37.83 33.82 3i8c s LYS 92 CO 0.09 -0.63 0.26 -1.14 0.16 0.00 0.00 175.35 174.08 3i8c s GLN 93 N 1.55 2.99 -1.56 4.03 0.74 -1.26 -0.87 119.66 125.29 3i8c s GLN 93 Ca -0.03 -0.99 -0.12 0.00 0.05 0.00 0.00 55.36 54.27 3i8c s GLN 93 Cb -0.18 -3.88 -0.03 0.00 1.10 0.00 0.00 33.01 30.02 3i8c s GLN 93 CO -0.08 -0.70 2.65 0.43 -0.55 0.00 0.00 175.29 177.05 3i8c n SER 94 N 5.10 6.66 0.00 6.67 7.64 0.51 -4.81 113.62 135.39 3i8c n SER 94 Ca -0.11 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.08 3i8c n SER 94 Cb 0.47 -1.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 3i8c n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i8c n GLY 95 N 3.81 0.94 0.00 0.23 0.00 -1.26 -2.04 105.19 106.86 3i8c n GLY 95 Ca 0.67 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.74 3i8c n GLY 95 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i8c n GLU 96 N 0.00 2.24 -4.16 1.61 0.00 -1.26 -5.03 120.64 114.03 3i8c n GLU 96 Ca 0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 57.16 56.84 3i8c n GLU 96 Cb 0.00 -1.08 -0.08 0.00 0.00 0.00 0.00 31.44 30.28 3i8c n GLU 96 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 3i8c s SER 97 N -2.47 4.94 -0.05 -1.84 0.01 -0.87 -5.11 113.70 108.31 3i8c s SER 97 Ca 0.00 -0.28 0.04 0.00 1.31 0.00 0.00 55.95 57.03 3i8c s SER 97 Cb 0.07 -1.13 -0.00 0.00 0.21 0.00 0.00 66.02 65.17 3i8c s SER 97 CO 0.41 0.13 -0.17 0.27 0.41 0.00 0.00 173.24 174.28 3i8c s ILE 98 N -1.53 1.45 -0.08 1.44 -0.00 -1.26 0.19 121.20 121.41 3i8c s ILE 98 Ca 0.27 -0.72 -0.05 0.00 -0.00 0.00 0.00 60.65 60.15 3i8c s ILE 98 Cb -0.10 -1.25 0.03 0.00 -0.00 0.00 0.00 42.46 41.14 3i8c s ILE 98 CO 0.19 0.42 0.20 -1.81 -0.00 0.00 0.00 174.94 173.93 3i8c s ASP 99 N 0.11 -0.19 -0.25 4.36 1.01 -0.05 -4.97 116.67 116.69 3i8c s ASP 99 Ca -0.06 0.41 -0.14 0.00 0.71 0.00 0.00 52.55 53.47 3i8c s ASP 99 Cb -0.12 0.33 -0.04 0.00 1.01 0.00 0.00 42.92 44.10 3i8c s ASP 99 CO 0.03 -0.13 0.34 -0.63 0.21 0.00 0.00 175.17 174.99 3i8c s ILE 100 N 0.83 5.21 0.06 0.77 1.09 -1.26 -1.07 121.20 126.83 3i8c s ILE 100 Ca -0.06 0.51 0.04 0.00 -1.10 0.00 0.00 60.65 60.04 3i8c s ILE 100 Cb -0.08 -3.67 -0.04 0.00 -1.06 0.00 0.00 42.46 37.62 3i8c s ILE 100 CO -0.05 0.20 0.01 -0.51 -0.10 0.00 0.00 174.94 174.50 3i8c s ILE 101 N 1.79 4.13 -0.60 2.92 2.07 -0.13 -4.91 121.20 126.47 3i8c s ILE 101 Ca 0.14 -0.84 -0.20 0.00 -1.41 0.00 0.00 60.65 58.35 3i8c s ILE 101 Cb -0.15 -2.93 0.09 0.00 0.13 0.00 0.00 42.46 39.60 3i8c s ILE 101 CO 0.09 0.20 0.76 -0.89 -1.91 0.00 0.00 174.94 173.19 3i8c s THR 102 N -1.25 4.71 0.12 4.00 2.01 -1.26 -1.30 115.64 122.68 3i8c s THR 102 Ca 0.24 -0.83 0.17 0.00 0.31 0.00 0.00 61.69 61.58 3i8c s THR 102 Cb -0.12 -4.52 0.09 0.00 0.01 0.00 0.00 72.50 67.95 3i8c s THR 102 CO 0.16 -1.18 1.65 0.03 -0.69 0.00 0.00 174.62 174.59 3i8c h ARG 103 N 9.26 0.00 -2.48 4.92 2.47 -1.58 -3.47 114.38 123.50 3i8c h ARG 103 Ca -0.29 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.52 3i8c h ARG 103 Cb 1.08 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 29.27 3i8c h ARG 103 CO 1.11 0.46 0.42 0.00 0.56 0.00 0.00 179.97 182.52 3i8c s ALA 104 N -3.45 -1.72 -0.22 0.04 0.00 -1.24 -4.88 121.76 110.29 3i8c s ALA 104 Ca 0.01 0.70 -0.32 0.00 0.00 0.00 0.00 51.96 52.35 3i8c s ALA 104 Cb 0.11 0.57 0.16 0.00 0.00 0.00 0.00 23.12 23.96 3i8c s ALA 104 CO 0.71 -0.78 1.21 -3.38 0.00 0.00 0.00 175.76 173.53 3i8c s HIS 105 N -3.32 -0.15 0.03 0.00 -3.43 -0.70 -1.18 115.29 106.54 3i8c s HIS 105 Ca 0.06 0.21 -0.28 0.00 -0.80 0.00 0.00 55.06 54.25 3i8c s HIS 105 Cb -0.01 0.49 0.10 0.00 -1.43 0.00 0.00 32.58 31.73 3i8c s HIS 105 CO -0.07 -0.17 1.23 0.20 -2.00 0.00 0.00 174.74 173.93 3i8c s GLY 106 N -1.46 -0.16 -0.22 -1.38 0.00 -0.92 -4.10 107.32 99.08 3i8c s GLY 106 Ca 0.06 0.15 -0.07 0.00 0.00 0.00 0.00 44.72 44.86 3i8c s GLY 106 CO -0.04 3.39 0.07 0.21 0.00 0.00 0.00 173.10 176.73 3i8c s ASN 107 N -3.49 5.36 -0.05 1.64 3.84 -1.26 0.46 114.94 121.45 3i8c s ASN 107 Ca 0.23 -0.08 0.17 0.00 0.21 0.00 0.00 52.86 53.40 3i8c s ASN 107 Cb 0.01 -1.94 0.56 0.00 -0.55 0.00 0.00 41.25 39.32 3i8c s ASN 107 CO -0.00 0.06 1.47 1.33 -2.79 0.00 0.00 177.10 177.17 3i8c n VAL 108 N 4.28 1.34 -0.88 -5.21 0.24 0.11 -4.97 118.33 113.24 3i8c n VAL 108 Ca -0.16 -1.13 -0.29 0.00 -2.04 0.00 0.00 64.34 60.72 3i8c n VAL 108 Cb 0.52 0.34 0.20 0.00 -1.47 0.00 0.00 33.84 33.42 3i8c n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i8c s GLN 109 N -1.39 0.06 0.11 7.34 -2.07 -1.26 -5.06 119.66 117.40 3i8c s GLN 109 Ca 0.42 0.78 0.05 0.00 -1.82 0.00 0.00 55.36 54.79 3i8c s GLN 109 Cb 0.24 -1.67 -0.04 0.00 -1.09 0.00 0.00 33.01 30.45 3i8c s GLN 109 CO 0.24 -3.05 -0.12 -0.51 -1.32 0.00 0.00 175.29 170.52 3i8c s ASP 110 N -3.01 1.75 0.14 12.60 1.01 -1.26 -5.05 116.67 122.86 3i8c s ASP 110 Ca 0.66 -0.81 -0.04 0.00 0.71 0.00 0.00 52.55 53.07 3i8c s ASP 110 Cb -0.21 -0.03 -0.07 0.00 1.01 0.00 0.00 42.92 43.61 3i8c s ASP 110 CO 0.60 -0.20 1.33 -0.09 0.21 0.00 0.00 175.17 177.03 3i8c h ARG 111 N 3.54 0.41 -7.36 8.23 9.65 -2.04 -3.42 114.38 123.38 3i8c h ARG 111 Ca -0.39 -0.42 -0.48 0.00 -1.10 0.00 0.00 59.98 57.59 3i8c h ARG 111 Cb 1.19 0.11 0.07 0.00 -1.39 0.00 0.00 29.97 29.96 3i8c h ARG 111 CO 0.52 1.08 0.32 0.42 2.80 0.00 0.00 179.97 185.10 3i8c s ILE 112 N -3.34 3.22 0.00 1.20 1.09 -1.26 -5.01 121.20 117.11 3i8c s ILE 112 Ca -0.06 0.19 0.00 0.00 -1.10 0.00 0.00 60.65 59.68 3i8c s ILE 112 Cb 0.09 -3.36 0.00 0.00 -1.06 0.00 0.00 42.46 38.13 3i8c s ILE 112 CO 0.86 -0.43 0.00 0.61 -0.10 0.00 0.00 174.94 175.88 3i8c n GLY 113 N -2.90 2.17 3.51 6.18 0.00 -1.26 -5.05 105.19 107.83 3i8c n GLY 113 Ca 0.06 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 3i8c n GLY 113 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i8c s ARG 114 N -2.84 3.24 0.28 1.61 3.52 -1.26 -5.01 118.95 118.49 3i8c s ARG 114 Ca 0.00 -0.49 -0.30 0.00 -0.13 0.00 0.00 55.73 54.81 3i8c s ARG 114 Cb 0.00 -3.94 -0.12 0.00 -1.56 0.00 0.00 34.95 29.33 3i8c s ARG 114 CO 0.00 -0.93 1.59 -2.30 -0.81 0.00 0.00 175.30 172.85 3i8c n PRO 115 N 5.99 2.63 -1.77 5.12 -0.02 -1.26 -3.02 135.00 142.67 3i8c n PRO 115 Ca -0.04 0.94 -0.29 0.00 -2.02 0.00 0.00 63.50 62.09 3i8c n PRO 115 Cb 0.48 -2.72 0.16 0.00 -0.02 0.00 0.00 33.50 31.40 3i8c n PRO 115 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3i8c s SER 116 N 0.55 3.32 0.01 2.55 1.04 -1.20 -4.83 113.70 115.15 3i8c s SER 116 Ca 0.66 0.55 -0.30 0.00 0.48 0.00 0.00 55.95 57.34 3i8c s SER 116 Cb -0.52 -0.82 -0.05 0.00 0.10 0.00 0.00 66.02 64.73 3i8c s SER 116 CO 0.47 -2.63 1.29 -0.70 0.98 0.00 0.00 173.24 172.65 3i8c s GLU 117 N -5.66 4.34 0.00 4.02 2.56 -1.26 -3.18 118.70 119.52 3i8c s GLU 117 Ca 0.69 1.84 0.00 0.00 0.00 0.00 0.00 54.97 57.50 3i8c s GLU 117 Cb -0.08 -3.48 0.00 0.00 2.00 0.00 0.00 34.13 32.57 3i8c s GLU 117 CO 0.52 -0.44 0.00 2.41 -0.56 0.00 0.00 175.26 177.19 3i8c n THR 118 N 4.39 0.00 -3.10 -1.70 -1.04 -1.26 -4.79 114.28 106.78 3i8c n THR 118 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 3i8c n THR 118 Cb 0.45 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 3i8c n THR 118 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i8c n GLY 119 N -2.76 -0.33 3.77 3.41 0.00 -1.19 -4.73 105.19 103.37 3i8c n GLY 119 Ca 0.00 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 3i8c n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8c s ILE 120 N 0.00 2.80 -0.05 -0.61 1.01 -1.26 -4.81 121.20 118.28 3i8c s ILE 120 Ca 0.00 0.80 0.02 0.00 0.00 0.00 0.00 60.65 61.47 3i8c s ILE 120 Cb 0.00 -3.51 0.01 0.00 0.01 0.00 0.00 42.46 38.98 3i8c s ILE 120 CO 0.00 0.18 -0.10 -0.63 0.00 0.00 0.00 174.94 174.40 3i8c s ILE 121 N -1.16 0.90 -0.06 2.92 1.01 -1.20 -4.99 121.20 118.62 3i8c s ILE 121 Ca 0.49 -0.36 0.05 0.00 0.00 0.00 0.00 60.65 60.83 3i8c s ILE 121 Cb -0.39 -0.84 -0.00 0.00 0.01 0.00 0.00 42.46 41.24 3i8c s ILE 121 CO 0.51 0.30 -0.20 -0.83 0.00 0.00 0.00 174.94 174.72 3i8c s GLY 122 N 0.63 1.09 0.13 6.18 0.00 -1.26 -0.83 107.32 113.26 3i8c s GLY 122 Ca -0.12 -0.82 0.05 0.00 0.00 0.00 0.00 44.72 43.84 3i8c s GLY 122 CO 0.02 -0.39 -0.12 -0.26 0.00 0.00 0.00 173.10 172.35 3i8c s ILE 123 N 0.09 1.26 -0.06 0.90 -4.36 0.36 -4.98 121.20 114.42 3i8c s ILE 123 Ca -0.07 -1.84 0.04 0.00 -0.26 0.00 0.00 60.65 58.51 3i8c s ILE 123 Cb -0.14 -1.64 0.00 0.00 1.25 0.00 0.00 42.46 41.94 3i8c s ILE 123 CO 0.04 -0.55 -0.17 -0.63 0.24 0.00 0.00 174.94 173.87 3i8c s ILE 124 N -2.59 1.47 0.31 8.37 1.01 -1.26 -0.18 121.20 128.33 3i8c s ILE 124 Ca 0.12 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 59.77 3i8c s ILE 124 Cb -0.02 -1.28 -0.10 0.00 0.01 0.00 0.00 42.46 41.07 3i8c s ILE 124 CO 0.02 0.42 1.42 -0.62 0.00 0.00 0.00 174.94 176.18 3i8c s ASP 125 N 0.26 6.60 0.38 3.58 2.15 -1.21 -4.85 116.67 123.59 3i8c s ASP 125 Ca -0.09 2.78 0.15 0.00 0.43 0.00 0.00 52.55 55.82 3i8c s ASP 125 Cb -0.14 -2.64 1.01 0.00 -0.30 0.00 0.00 42.92 40.85 3i8c s ASP 125 CO 0.04 -0.70 1.79 -0.65 -0.17 0.00 0.00 175.17 175.48 3i8c h PRO 126 N 4.00 0.47 0.00 4.34 0.11 -1.91 0.11 132.00 139.12 3i8c h PRO 126 Ca -0.48 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.43 3i8c h PRO 126 Cb 1.23 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3i8c h PRO 126 CO 0.71 0.31 -0.82 0.93 -0.21 0.00 0.00 178.00 178.92 3i8c h GLU 127 N 0.48 0.00 0.00 1.05 5.08 -1.94 -3.48 114.58 115.77 3i8c h GLU 127 Ca 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 3i8c h GLU 127 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3i8c h GLU 127 CO -0.30 0.82 0.00 0.00 -1.00 0.00 0.00 179.01 178.53 3i8c h ARG 129 N 0.00 0.65 0.00 0.00 2.47 -1.89 -3.42 114.38 112.20 3i8c h ARG 129 Ca 0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 3i8c h ARG 129 Cb 0.52 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 3i8c h ARG 129 CO 0.00 0.43 0.00 0.00 0.56 0.00 0.00 179.97 180.96 3i8c n MET 130 N -4.46 0.00 -3.82 0.04 0.00 -1.26 -0.46 117.12 107.15 3i8c n MET 130 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 57.70 57.61 3i8c n MET 130 Cb 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.13 3i8c n MET 130 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3i8c s ILE 131 N -2.96 -0.01 -0.05 3.17 1.01 -0.66 -3.32 121.20 118.38 3i8c s ILE 131 Ca 0.00 0.12 0.05 0.00 0.00 0.00 0.00 60.65 60.82 3i8c s ILE 131 Cb 0.00 -0.07 -0.02 0.00 0.01 0.00 0.00 42.46 42.38 3i8c s ILE 131 CO 0.00 0.06 -0.20 -0.83 0.00 0.00 0.00 174.94 173.97 3i8c s GLY 132 N 0.67 1.40 0.07 6.18 0.00 0.75 -1.41 107.32 114.97 3i8c s GLY 132 Ca -0.06 -1.03 0.04 0.00 0.00 0.00 0.00 44.72 43.68 3i8c s GLY 132 CO -0.02 -0.72 -0.13 1.08 0.00 0.00 0.00 173.10 173.32 3i8c s LEU 133 N -0.44 2.30 -0.42 0.66 1.02 -0.96 0.14 118.68 120.97 3i8c s LEU 133 Ca 0.05 -0.64 0.02 0.00 0.02 0.00 0.00 54.13 53.58 3i8c s LEU 133 Cb -0.12 -0.43 0.15 0.00 0.02 0.00 0.00 46.19 45.81 3i8c s LEU 133 CO 0.01 -0.13 0.29 -0.60 0.02 0.00 0.00 176.35 175.95 3i8c s ARG 134 N -1.89 1.01 0.03 1.70 3.00 -0.01 -2.76 118.95 120.02 3i8c s ARG 134 Ca -0.02 -1.93 0.19 0.00 -1.00 0.00 0.00 55.73 52.98 3i8c s ARG 134 Cb -0.09 -1.76 -0.18 0.00 0.00 0.00 0.00 34.95 32.92 3i8c s ARG 134 CO 0.02 -1.27 0.66 1.28 0.00 0.00 0.00 175.30 175.99 3i8c n LEU 135 N 3.33 0.51 -4.09 -0.88 7.99 -1.26 -3.26 117.00 119.34 3i8c n LEU 135 Ca 0.18 0.21 -0.11 0.00 -0.01 0.00 0.00 56.01 56.28 3i8c n LEU 135 Cb 0.40 0.09 -0.11 0.00 -0.11 0.00 0.00 43.42 43.70 3i8c n LEU 135 CO 0.15 0.09 -0.39 -0.31 -1.51 0.00 0.00 177.39 175.43 3i8c s TYR 136 N -3.10 0.70 0.70 -1.77 1.51 -1.26 -3.23 117.35 110.90 3i8c s TYR 136 Ca -0.05 -0.68 -0.15 0.00 -1.01 0.00 0.00 57.07 55.18 3i8c s TYR 136 Cb 0.10 -0.42 0.02 0.00 -0.11 0.00 0.00 41.96 41.55 3i8c s TYR 136 CO 0.84 -0.13 1.16 -0.51 -1.11 0.00 0.00 175.55 175.79 3i8c s ASP 137 N -2.15 4.62 0.00 2.29 1.01 -1.17 -3.19 116.67 118.08 3i8c s ASP 137 Ca -0.02 2.19 0.00 0.00 0.71 0.00 0.00 52.55 55.43 3i8c s ASP 137 Cb -0.04 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.32 3i8c s ASP 137 CO -0.02 -1.97 0.00 0.61 0.21 0.00 0.00 175.17 174.00 3i8c n GLY 138 N -0.01 1.62 3.72 0.21 0.00 -1.26 -4.76 105.19 104.71 3i8c n GLY 138 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 3i8c n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i8c s LEU 139 N 0.00 3.49 -0.28 0.99 1.43 -1.19 0.08 118.68 123.20 3i8c s LEU 139 Ca 0.00 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 3i8c s LEU 139 Cb 0.00 -2.07 0.13 0.00 0.03 0.00 0.00 46.19 44.28 3i8c s LEU 139 CO 0.00 0.03 0.27 0.12 0.23 0.00 0.00 176.35 177.00 3i8c s PHE 140 N -1.99 -0.36 0.52 0.29 5.36 -0.73 -4.52 117.98 116.54 3i8c s PHE 140 Ca 0.30 -0.16 -0.19 0.00 -0.96 0.00 0.00 56.93 55.93 3i8c s PHE 140 Cb -0.08 -0.48 -0.07 0.00 -0.34 0.00 0.00 43.02 42.05 3i8c s PHE 140 CO 0.21 -0.86 1.04 0.21 -1.46 0.00 0.00 175.22 174.37 3i8c s LYS 141 N 2.33 3.65 -0.11 10.12 2.47 -1.11 -1.80 119.74 135.29 3i8c s LYS 141 Ca 0.09 1.30 -0.05 0.00 -1.56 0.00 0.00 55.97 55.75 3i8c s LYS 141 Cb -0.14 -2.07 0.05 0.00 -1.46 0.00 0.00 37.83 34.20 3i8c s LYS 141 CO -0.30 -0.55 0.25 0.08 0.16 0.00 0.00 175.35 174.99 3i8c s VAL 142 N -2.15 -0.07 -0.30 4.02 1.01 0.28 -2.28 120.40 120.91 3i8c s VAL 142 Ca 0.66 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.83 3i8c s VAL 142 Cb -0.16 -0.38 0.08 0.00 0.00 0.00 0.00 36.38 35.92 3i8c s VAL 142 CO 0.26 0.07 -0.00 -0.63 0.00 0.00 0.00 175.10 174.79 3i8c s ILE 143 N 1.36 2.06 0.12 2.22 1.01 -0.50 -2.17 121.20 125.30 3i8c s ILE 143 Ca -0.08 -1.95 -0.31 0.00 0.00 0.00 0.00 60.65 58.31 3i8c s ILE 143 Cb -0.11 -2.40 -0.07 0.00 0.01 0.00 0.00 42.46 39.90 3i8c s ILE 143 CO -0.09 -0.38 1.26 -2.84 0.00 0.00 0.00 174.94 172.89 3i8c s PRO 144 N 1.07 4.41 -0.01 2.79 0.02 -1.26 -1.65 135.00 140.37 3i8c s PRO 144 Ca 0.03 1.91 -0.22 0.00 0.02 0.00 0.00 61.00 62.74 3i8c s PRO 144 Cb -0.19 -3.28 -0.05 0.00 0.02 0.00 0.00 34.50 31.00 3i8c s PRO 144 CO -0.08 -0.26 0.64 -0.51 -0.33 0.00 0.00 177.00 176.46 3i8c s LEU 145 N 0.64 4.40 0.00 -5.54 1.43 0.39 -4.87 118.68 115.13 3i8c s LEU 145 Ca 0.59 1.21 -0.02 0.00 -1.03 0.00 0.00 54.13 54.88 3i8c s LEU 145 Cb -0.33 -3.00 0.01 0.00 0.03 0.00 0.00 46.19 42.90 3i8c s LEU 145 CO 0.32 0.04 0.26 0.47 0.23 0.00 0.00 176.35 177.68 3i8c n ASP 146 N 2.95 -0.74 0.09 2.29 9.92 -1.26 -4.75 116.55 125.05 3i8c n ASP 146 Ca -0.05 -1.88 -0.05 0.00 -0.53 0.00 0.00 54.79 52.28 3i8c n ASP 146 Cb 0.51 1.34 0.09 0.00 -0.64 0.00 0.00 41.12 42.42 3i8c n ASP 146 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3i8c h ARG 147 N 0.00 0.19 0.00 -1.24 1.12 -2.02 -3.42 114.38 109.00 3i8c h ARG 147 Ca -0.14 -0.15 0.00 0.00 -1.11 0.00 0.00 59.98 58.59 3i8c h ARG 147 Cb 0.57 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.56 3i8c h ARG 147 CO 0.18 0.80 0.00 -0.25 -3.11 0.00 0.00 179.97 177.59 3i8c n ASP 148 N -3.79 0.00 -2.02 -3.80 8.00 -1.26 -4.75 116.55 108.93 3i8c n ASP 148 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 3i8c n ASP 148 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 3i8c n ASP 148 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3i8c n ASN 149 N 0.00 -0.75 0.25 -2.24 2.85 -1.26 -4.73 115.26 109.38 3i8c n ASN 149 Ca 0.00 0.37 0.15 0.00 -0.11 0.00 0.00 54.58 54.99 3i8c n ASN 149 Cb 0.00 -0.78 0.80 0.00 1.24 0.00 0.00 39.78 41.05 3i8c n ASN 149 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 3i8c h LYS 150 N 0.00 0.00 -0.30 1.20 1.57 -1.90 1.87 116.57 119.01 3i8c h LYS 150 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3i8c h LYS 150 Cb 0.75 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 3i8c h LYS 150 CO 0.00 0.00 0.01 0.39 -0.57 0.00 0.00 179.45 179.28 3i8c n GLU 151 N -2.61 2.73 -3.99 3.15 1.02 -1.26 -1.72 120.64 117.96 3i8c n GLU 151 Ca -0.02 -2.92 -0.37 0.00 -0.02 0.00 0.00 57.16 53.83 3i8c n GLU 151 Cb 0.16 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 3i8c n GLU 151 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i8c n LEU 152 N -0.63 -1.37 -4.75 -4.62 4.77 0.64 -4.36 117.00 106.68 3i8c n LEU 152 Ca 0.25 -1.18 -0.41 0.00 -0.03 0.00 0.00 56.01 54.65 3i8c n LEU 152 Cb 0.95 -1.92 -0.04 0.00 -2.33 0.00 0.00 43.42 40.08 3i8c n LEU 152 CO 0.18 0.61 0.78 -0.54 -1.33 0.00 0.00 177.39 177.08 3i8c s LYS 153 N -6.90 4.63 -0.01 3.23 -0.14 -1.26 -4.86 119.74 114.43 3i8c s LYS 153 Ca 0.33 1.73 0.02 0.00 -1.36 0.00 0.00 55.97 56.68 3i8c s LYS 153 Cb -0.16 -3.25 -0.00 0.00 -1.68 0.00 0.00 37.83 32.74 3i8c s LYS 153 CO 0.93 0.16 -0.06 0.00 -0.76 0.00 0.00 175.35 175.63 3i8c s ALA 154 N -0.62 0.52 0.34 5.17 0.00 -1.26 -4.42 121.76 121.49 3i8c s ALA 154 Ca 0.47 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.20 3i8c s ALA 154 Cb -0.30 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 3i8c s ALA 154 CO 0.37 0.11 0.55 -0.59 0.00 0.00 0.00 175.76 176.20 3i8c s PHE 155 N -0.02 3.50 0.26 0.00 -0.12 -0.92 -4.88 117.98 115.80 3i8c s PHE 155 Ca 0.01 0.37 0.07 0.00 -0.05 0.00 0.00 56.93 57.33 3i8c s PHE 155 Cb -0.04 -1.91 -0.03 0.00 -0.63 0.00 0.00 43.02 40.41 3i8c s PHE 155 CO -0.00 0.12 0.23 -0.80 -0.05 0.00 0.00 175.22 174.72 3i8c s ASN 156 N -3.98 5.57 0.03 1.98 0.01 -1.26 -0.56 114.94 116.73 3i8c s ASN 156 Ca 0.40 -0.26 0.01 0.00 -0.71 0.00 0.00 52.86 52.30 3i8c s ASN 156 Cb -0.10 -1.38 -0.02 0.00 0.41 0.00 0.00 41.25 40.16 3i8c s ASN 156 CO 0.36 -0.09 -0.04 -0.63 -1.51 0.00 0.00 177.10 175.18 3i8c s ILE 157 N -2.15 0.22 0.02 0.60 1.01 -0.75 -4.94 121.20 115.22 3i8c s ILE 157 Ca 0.34 -0.97 -0.23 0.00 0.00 0.00 0.00 60.65 59.79 3i8c s ILE 157 Cb -0.08 -0.38 -0.05 0.00 0.01 0.00 0.00 42.46 41.96 3i8c s ILE 157 CO 0.26 -0.48 0.68 -0.60 0.00 0.00 0.00 174.94 174.79 3i8c s ARG 158 N -1.55 4.41 -0.26 2.79 3.52 -1.26 -1.77 118.95 124.83 3i8c s ARG 158 Ca -0.14 0.90 -0.05 0.00 -0.13 0.00 0.00 55.73 56.31 3i8c s ARG 158 Cb -0.10 -3.35 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 3i8c s ARG 158 CO -0.01 0.33 0.02 -1.17 -0.81 0.00 0.00 175.30 173.66 3i8c s LEU 159 N -0.12 3.43 0.37 -0.88 0.20 0.11 -4.95 118.68 116.84 3i8c s LEU 159 Ca 0.35 -0.61 0.13 0.00 0.69 0.00 0.00 54.13 54.69 3i8c s LEU 159 Cb -0.19 -1.80 0.95 0.00 -0.43 0.00 0.00 46.19 44.71 3i8c s LEU 159 CO 0.20 -0.12 1.80 -0.33 -0.29 0.00 0.00 176.35 177.61 3i8c h GLU 160 N 8.16 0.53 -5.64 1.98 4.39 -1.97 -3.41 114.58 118.62 3i8c h GLU 160 Ca -0.35 -0.03 -0.64 0.00 0.34 0.00 0.00 59.36 58.68 3i8c h GLU 160 Cb 1.14 -0.12 -0.14 0.00 -0.10 0.00 0.00 28.75 29.53 3i8c h GLU 160 CO 0.59 0.35 0.28 -1.21 -1.16 0.00 0.00 179.01 177.87 3i8c s GLU 161 N -5.62 3.35 0.19 2.33 8.01 -1.26 -4.94 118.70 120.76 3i8c s GLU 161 Ca -0.10 -0.22 0.25 0.00 0.01 0.00 0.00 54.97 54.91 3i8c s GLU 161 Cb 0.24 -3.95 0.49 0.00 -4.31 0.00 0.00 34.13 26.60 3i8c s GLU 161 CO 0.79 -1.10 1.50 -0.07 0.01 0.00 0.00 175.26 176.39 3i8c h LEU 162 N 10.02 0.00 -5.89 1.80 3.38 -1.89 -3.39 115.31 119.34 3i8c h LEU 162 Ca -0.25 -0.09 -0.57 0.00 0.09 0.00 0.00 57.88 57.05 3i8c h LEU 162 Cb 1.09 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.43 3i8c h LEU 162 CO 0.94 0.05 -0.79 1.57 0.09 0.00 0.00 178.44 180.31 3i8c n HIS 163 N -2.32 2.52 -2.56 1.13 -0.00 -1.26 -4.46 115.22 108.26 3i8c n HIS 163 Ca 0.04 -3.95 -0.37 0.00 0.46 0.00 0.00 57.72 53.90 3i8c n HIS 163 Cb 0.46 -0.48 -0.04 0.00 -0.12 0.00 0.00 29.99 29.80 3i8c n HIS 163 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 3i8c s VAL 164 N -2.74 3.75 -0.16 3.57 1.01 -1.26 -0.32 120.40 124.25 3i8c s VAL 164 Ca 0.41 1.35 -0.10 0.00 0.00 0.00 0.00 61.98 63.65 3i8c s VAL 164 Cb 0.21 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.82 3i8c s VAL 164 CO -0.07 0.02 -0.24 -0.38 0.00 0.00 0.00 175.10 174.43 3i8c n ILE 165 N -0.01 1.12 -3.55 2.22 2.08 0.81 -4.79 119.36 117.24 3i8c n ILE 165 Ca 0.05 -0.13 -0.15 0.00 0.56 0.00 0.00 62.75 63.08 3i8c n ILE 165 Cb 0.50 -1.84 -0.05 0.00 -0.75 0.00 0.00 39.64 37.49 3i8c n ILE 165 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3i8c s ASP 166 N -6.48 -0.50 -0.06 4.38 2.15 -1.22 -4.93 116.67 110.01 3i8c s ASP 166 Ca -0.24 0.30 -0.13 0.00 0.43 0.00 0.00 52.55 52.91 3i8c s ASP 166 Cb 0.08 0.51 0.03 0.00 -0.30 0.00 0.00 42.92 43.23 3i8c s ASP 166 CO 0.32 -0.71 0.30 -0.69 -0.17 0.00 0.00 175.17 174.22 3i8c s VAL 167 N -2.21 0.03 0.15 1.11 1.01 -1.26 -2.41 120.40 116.82 3i8c s VAL 167 Ca -0.06 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 3i8c s VAL 167 Cb -0.01 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.87 3i8c s VAL 167 CO 0.00 -0.14 0.39 -0.54 0.00 0.00 0.00 175.10 174.81 3i8c s LYS 168 N -0.62 1.15 0.28 2.72 -0.14 -0.98 -4.96 119.74 117.19 3i8c s LYS 168 Ca -0.07 -0.88 -0.28 0.00 -1.36 0.00 0.00 55.97 53.37 3i8c s LYS 168 Cb -0.04 0.45 -0.09 0.00 -1.68 0.00 0.00 37.83 36.47 3i8c s LYS 168 CO 0.02 -0.45 0.95 -0.06 -0.76 0.00 0.00 175.35 175.06 3i8c s PHE 169 N -3.87 3.85 0.08 3.18 2.99 -1.26 -0.60 117.98 122.35 3i8c s PHE 169 Ca 0.08 1.85 -0.21 0.00 0.00 0.00 0.00 56.93 58.65 3i8c s PHE 169 Cb 0.02 -2.98 -0.07 0.00 0.00 0.00 0.00 43.02 39.99 3i8c s PHE 169 CO -0.07 0.29 0.63 -0.51 -0.00 0.00 0.00 175.22 175.57 3i8c s LEU 170 N -1.54 4.52 0.70 -0.37 1.43 0.21 -4.85 118.68 118.77 3i8c s LEU 170 Ca 0.45 1.34 -0.12 0.00 -1.03 0.00 0.00 54.13 54.77 3i8c s LEU 170 Cb -0.24 -3.01 0.02 0.00 0.03 0.00 0.00 46.19 42.99 3i8c s LEU 170 CO 0.29 0.21 1.08 -0.31 0.23 0.00 0.00 176.35 177.86 3i8c s TYR 171 N -0.89 2.78 -0.89 0.29 1.51 -1.26 -4.42 117.35 114.48 3i8c s TYR 171 Ca 0.31 1.52 -0.03 0.00 -1.01 0.00 0.00 57.07 57.85 3i8c s TYR 171 Cb -0.20 -3.03 -0.04 0.00 -0.11 0.00 0.00 41.96 38.58 3i8c s TYR 171 CO 0.21 -1.53 0.77 0.41 -1.11 0.00 0.00 175.55 174.29 3i8c n GLY 172 N -1.19 -0.61 3.15 0.71 0.00 -1.26 -4.46 105.19 101.52 3i8c n GLY 172 Ca 0.09 0.30 -0.23 0.00 0.00 0.00 0.00 46.02 46.19 3i8c n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8c n GLN 174 N 2.39 0.00 -2.80 0.00 1.13 -1.26 -4.75 117.38 112.09 3i8c n GLN 174 Ca -0.16 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.54 3i8c n GLN 174 Cb 0.55 -0.61 -0.06 0.00 0.11 0.00 0.00 30.24 30.22 3i8c n GLN 174 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i8c s ALA 175 N -2.33 3.21 -0.08 -1.58 0.00 -1.26 -4.99 121.76 114.74 3i8c s ALA 175 Ca 0.00 0.50 -0.15 0.00 0.00 0.00 0.00 51.96 52.31 3i8c s ALA 175 Cb 0.00 -3.16 -0.07 0.00 0.00 0.00 0.00 23.12 19.89 3i8c s ALA 175 CO 0.00 0.18 0.45 -2.30 0.00 0.00 0.00 175.76 174.09 3i8c n PRO 176 N 0.52 0.00 -3.67 0.00 -0.02 -1.26 -4.77 135.00 125.80 3i8c n PRO 176 Ca 0.02 0.00 -0.16 0.00 -2.02 0.00 0.00 63.50 61.34 3i8c n PRO 176 Cb 0.50 -0.51 -0.15 0.00 -0.02 0.00 0.00 33.50 33.32 3i8c n PRO 176 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3i8c s THR 177 N 0.46 -0.29 0.72 3.45 2.01 -1.26 0.37 115.64 121.10 3i8c s THR 177 Ca 0.33 0.34 -0.06 0.00 0.31 0.00 0.00 61.69 62.61 3i8c s THR 177 Cb -0.47 -0.33 0.08 0.00 0.01 0.00 0.00 72.50 71.80 3i8c s THR 177 CO 0.23 0.14 1.02 0.27 -0.69 0.00 0.00 174.62 175.60 3i8c s ILE 178 N 2.31 2.26 -0.29 1.82 -4.36 -0.70 -0.62 121.20 121.61 3i8c s ILE 178 Ca 0.03 -0.33 -0.14 0.00 -0.26 0.00 0.00 60.65 59.94 3i8c s ILE 178 Cb -0.12 -2.93 0.11 0.00 1.25 0.00 0.00 42.46 40.77 3i8c s ILE 178 CO -0.06 0.00 0.73 0.00 0.24 0.00 0.00 174.94 175.85 3i8c s PHE 180 N 2.01 -0.14 -0.22 0.00 -0.12 -0.63 -2.33 117.98 116.55 3i8c s PHE 180 Ca -0.08 0.28 -0.13 0.00 -0.05 0.00 0.00 56.93 56.95 3i8c s PHE 180 Cb -0.07 0.05 -0.05 0.00 -0.63 0.00 0.00 43.02 42.32 3i8c s PHE 180 CO -0.19 -0.27 0.26 0.08 -0.05 0.00 0.00 175.22 175.05 3i8c s VAL 181 N -0.85 5.29 0.26 -2.49 1.01 -1.01 -1.30 120.40 121.32 3i8c s VAL 181 Ca -0.09 0.41 0.11 0.00 0.00 0.00 0.00 61.98 62.40 3i8c s VAL 181 Cb -0.05 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 3i8c s VAL 181 CO 0.02 0.31 -0.18 -0.72 0.00 0.00 0.00 175.10 174.53 3i8c s TYR 182 N 1.11 2.13 -0.09 5.22 -0.85 -0.72 -0.14 117.35 124.01 3i8c s TYR 182 Ca 0.13 -0.41 -0.01 0.00 -0.52 0.00 0.00 57.07 56.26 3i8c s TYR 182 Cb -0.14 -0.95 -0.03 0.00 0.38 0.00 0.00 41.96 41.22 3i8c s TYR 182 CO 0.06 0.61 -0.05 -1.14 -1.52 0.00 0.00 175.55 173.51 3i8c s GLN 183 N -3.55 3.03 0.39 -3.49 0.74 0.56 -1.96 119.66 115.38 3i8c s GLN 183 Ca 0.28 -0.51 0.05 0.00 0.05 0.00 0.00 55.36 55.23 3i8c s GLN 183 Cb -0.04 -2.72 -0.02 0.00 1.10 0.00 0.00 33.01 31.34 3i8c s GLN 183 CO 0.13 0.57 0.18 0.16 -0.55 0.00 0.00 175.29 175.77 3i8c s ASP 184 N -0.53 2.46 0.06 6.67 1.47 -0.60 -4.31 116.67 121.89 3i8c s ASP 184 Ca 0.08 -1.71 -0.11 0.00 1.18 0.00 0.00 52.55 51.99 3i8c s ASP 184 Cb -0.12 0.55 -0.02 0.00 -0.34 0.00 0.00 42.92 42.99 3i8c s ASP 184 CO 0.02 -0.99 0.58 -0.81 0.68 0.00 0.00 175.17 174.65 3i8c n PRO 185 N -0.83 -0.16 0.00 2.11 -0.04 -1.26 -2.30 135.00 132.52 3i8c n PRO 185 Ca -0.02 0.57 0.13 0.00 -0.04 0.00 0.00 63.50 64.14 3i8c n PRO 185 Cb 0.64 -0.84 0.60 0.00 -0.04 0.00 0.00 33.50 33.86 3i8c n PRO 185 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3i8c n GLN 186 N -4.48 0.14 0.00 0.54 6.02 -1.26 -4.98 117.38 113.36 3i8c n GLN 186 Ca 0.01 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 3i8c n GLN 186 Cb 0.10 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.86 3i8c n GLN 186 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i8c n GLY 187 N 1.11 0.07 3.35 1.08 0.00 -0.97 -5.09 105.19 104.74 3i8c n GLY 187 Ca 0.09 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.88 3i8c n GLY 187 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8c s ARG 188 N -2.00 1.31 0.15 1.61 0.52 -1.26 -1.55 118.95 117.73 3i8c s ARG 188 Ca 0.00 -1.38 -0.11 0.00 -0.52 0.00 0.00 55.73 53.71 3i8c s ARG 188 Cb 0.00 -1.51 0.00 0.00 0.52 0.00 0.00 34.95 33.97 3i8c s ARG 188 CO 0.00 0.32 0.32 -1.01 0.02 0.00 0.00 175.30 174.96 3i8c s HIS 189 N -1.71 0.18 0.02 -0.53 3.76 -0.83 -2.26 115.29 113.93 3i8c s HIS 189 Ca 0.15 -0.55 0.08 0.00 -0.15 0.00 0.00 55.06 54.58 3i8c s HIS 189 Cb -0.07 0.06 -0.02 0.00 1.11 0.00 0.00 32.58 33.65 3i8c s HIS 189 CO 0.07 -0.72 -0.23 0.54 -0.85 0.00 0.00 174.74 173.55 3i8c s VAL 190 N -3.91 1.84 0.07 -0.90 0.11 -0.42 -1.76 120.40 115.42 3i8c s VAL 190 Ca 0.12 -1.15 -0.16 0.00 -2.93 0.00 0.00 61.98 57.86 3i8c s VAL 190 Cb 0.03 -1.56 0.03 0.00 -1.53 0.00 0.00 36.38 33.34 3i8c s VAL 190 CO -0.04 0.37 0.36 -0.75 -3.33 0.00 0.00 175.10 171.71 3i8c s LYS 191 N -0.93 0.92 0.19 1.54 2.20 -0.42 -3.07 119.74 120.17 3i8c s LYS 191 Ca 0.09 -0.54 0.04 0.00 -0.36 0.00 0.00 55.97 55.20 3i8c s LYS 191 Cb -0.09 0.40 -0.05 0.00 -1.51 0.00 0.00 37.83 36.58 3i8c s LYS 191 CO 0.01 -0.32 -0.06 0.95 -0.36 0.00 0.00 175.35 175.56 3i8c s THR 192 N -2.96 1.16 -0.27 3.43 -4.23 -1.26 -1.61 115.64 109.89 3i8c s THR 192 Ca -0.02 -2.06 -0.20 0.00 -1.18 0.00 0.00 61.69 58.23 3i8c s THR 192 Cb 0.00 -2.09 0.08 0.00 1.34 0.00 0.00 72.50 71.83 3i8c s THR 192 CO -0.06 -0.55 0.69 -0.31 -0.54 0.00 0.00 174.62 173.86 3i8c s TYR 193 N -3.34 -0.94 0.74 3.99 4.12 -1.20 -3.70 117.35 117.02 3i8c s TYR 193 Ca 0.22 2.03 -0.11 0.00 0.02 0.00 0.00 57.07 59.23 3i8c s TYR 193 Cb 0.04 0.48 0.04 0.00 -1.52 0.00 0.00 41.96 40.99 3i8c s TYR 193 CO 0.05 -0.46 1.07 -1.21 0.02 0.00 0.00 175.55 175.02 3i8c s GLU 194 N 1.10 2.55 -0.23 -0.62 2.02 -0.71 -1.73 118.70 121.09 3i8c s GLU 194 Ca -0.06 0.98 0.01 0.00 0.02 0.00 0.00 54.97 55.92 3i8c s GLU 194 Cb -0.05 -1.94 0.06 0.00 0.10 0.00 0.00 34.13 32.29 3i8c s GLU 194 CO -0.11 -1.38 -0.07 0.08 0.02 0.00 0.00 175.26 173.80 3i8c s VAL 195 N -3.01 1.68 -0.33 2.63 1.01 0.16 -4.32 120.40 118.22 3i8c s VAL 195 Ca 0.60 -1.27 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 3i8c s VAL 195 Cb -0.15 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 3i8c s VAL 195 CO 0.55 -0.04 0.24 -0.55 0.00 0.00 0.00 175.10 175.30 3i8c s SER 196 N 1.33 6.06 0.19 3.32 0.15 -1.26 -4.37 113.70 119.12 3i8c s SER 196 Ca -0.06 -0.36 0.22 0.00 0.70 0.00 0.00 55.95 56.44 3i8c s SER 196 Cb -0.19 -2.14 -0.01 0.00 -1.71 0.00 0.00 66.02 61.97 3i8c s SER 196 CO -0.06 -0.22 1.03 0.17 1.20 0.00 0.00 173.24 175.36 3i8c h LEU 197 N 8.49 0.00 -0.45 3.45 -0.00 -1.95 -2.24 115.31 122.60 3i8c h LEU 197 Ca -0.32 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.65 3i8c h LEU 197 Cb 1.16 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.75 3i8c h LEU 197 CO 0.63 0.09 0.00 -0.09 -0.00 0.00 0.00 178.44 179.07 3i8c h ARG 198 N 0.00 0.11 -0.41 0.17 2.43 -2.03 -2.33 114.38 112.32 3i8c h ARG 198 Ca -0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3i8c h ARG 198 Cb 1.09 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.62 3i8c h ARG 198 CO 0.01 0.07 0.00 -0.85 -1.51 0.00 0.00 179.97 177.69 3i8c n GLU 199 N -5.21 2.75 -4.08 0.20 0.00 -1.25 -5.00 120.64 108.04 3i8c n GLU 199 Ca 0.04 -2.15 -0.28 0.00 0.00 0.00 0.00 57.16 54.77 3i8c n GLU 199 Cb 0.24 -1.33 -0.05 0.00 0.00 0.00 0.00 31.44 30.30 3i8c n GLU 199 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3i8c n LYS 200 N 0.77 -2.22 0.00 3.44 4.01 -0.87 -4.96 118.16 118.34 3i8c n LYS 200 Ca 0.14 0.28 0.00 0.00 -0.51 0.00 0.00 58.31 58.22 3i8c n LYS 200 Cb 0.46 -4.08 0.00 0.00 -0.51 0.00 0.00 35.03 30.91 3i8c n LYS 200 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 3i8c n GLU 201 N -4.49 0.00 0.00 1.97 0.28 -1.07 -4.89 120.64 112.45 3i8c n GLU 201 Ca -0.30 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.70 3i8c n GLU 201 Cb 0.68 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.55 3i8c n GLU 201 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3i8c n PHE 202 N 0.00 -0.51 -4.73 -1.84 0.99 -1.26 -4.79 117.46 105.32 3i8c n PHE 202 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i8c n PHE 202 Cb 0.00 0.11 0.00 0.00 -1.00 0.00 0.00 39.48 38.59 3i8c n PHE 202 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3i8c n ASN 203 N -1.72 -1.93 -4.18 4.37 4.13 -1.26 -1.74 115.26 112.92 3i8c n ASN 203 Ca 0.00 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 55.99 3i8c n ASN 203 Cb 0.00 0.00 -0.16 0.00 -1.54 0.00 0.00 39.78 38.08 3i8c n ASN 203 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3i8c s LYS 204 N 0.00 1.74 0.65 3.52 2.20 -1.26 -4.40 119.74 122.19 3i8c s LYS 204 Ca 0.00 -0.68 -0.11 0.00 -0.36 0.00 0.00 55.97 54.82 3i8c s LYS 204 Cb 0.00 -1.59 -0.02 0.00 -1.51 0.00 0.00 37.83 34.70 3i8c s LYS 204 CO 0.00 0.35 1.05 0.20 -0.36 0.00 0.00 175.35 176.59 3i8c s GLY 205 N -0.25 1.65 0.00 5.54 0.00 -1.24 -4.07 107.32 108.95 3i8c s GLY 205 Ca 0.02 -0.15 0.29 0.00 0.00 0.00 0.00 44.72 44.88 3i8c s GLY 205 CO 0.01 0.15 2.02 -1.05 0.00 0.00 0.00 173.10 174.23 3i8c n PRO 206 N -2.83 0.67 -3.79 2.90 -0.02 -1.26 -4.78 135.00 125.89 3i8c n PRO 206 Ca 0.06 0.01 -0.13 0.00 -2.02 0.00 0.00 63.50 61.42 3i8c n PRO 206 Cb 0.55 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.38 3i8c n PRO 206 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3i8c s TRP 207 N -2.27 -0.09 1.01 6.00 -2.14 -1.26 -4.93 118.94 115.25 3i8c s TRP 207 Ca 0.35 0.30 -0.25 0.00 2.66 0.00 0.00 56.10 59.17 3i8c s TRP 207 Cb 0.19 -0.08 -0.16 0.00 -3.10 0.00 0.00 33.47 30.32 3i8c s TRP 207 CO 0.38 -0.11 -1.26 1.63 -2.66 0.00 0.00 176.95 174.93 3i8c n LYS 208 N 3.80 -0.13 -3.45 3.25 4.01 -1.26 -4.51 118.16 119.87 3i8c n LYS 208 Ca -0.22 -0.04 -0.39 0.00 -0.51 0.00 0.00 58.31 57.16 3i8c n LYS 208 Cb 0.54 -1.07 -0.09 0.00 -0.51 0.00 0.00 35.03 33.90 3i8c n LYS 208 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 3i8c s GLN 209 N -2.14 4.03 0.38 1.97 -2.07 -1.26 -4.85 119.66 115.71 3i8c s GLN 209 Ca 0.39 -0.02 0.08 0.00 -1.82 0.00 0.00 55.36 53.98 3i8c s GLN 209 Cb 0.03 -3.63 -0.03 0.00 -1.09 0.00 0.00 33.01 28.29 3i8c s GLN 209 CO 0.69 -0.20 0.29 -1.21 -1.32 0.00 0.00 175.29 173.54 3i8c s GLU 210 N 1.82 2.53 0.76 9.60 0.41 -1.18 -4.92 118.70 127.72 3i8c s GLU 210 Ca 0.14 -1.50 -0.11 0.00 -0.41 0.00 0.00 54.97 53.08 3i8c s GLU 210 Cb -0.15 -2.33 0.05 0.00 -1.78 0.00 0.00 34.13 29.92 3i8c s GLU 210 CO 0.09 -0.04 1.10 -0.80 -0.49 0.00 0.00 175.26 175.12 3i8c s ASN 211 N -4.01 4.89 0.18 -0.19 0.01 -1.26 -1.31 114.94 113.25 3i8c s ASN 211 Ca 0.43 1.24 -0.11 0.00 -0.71 0.00 0.00 52.86 53.72 3i8c s ASN 211 Cb -0.03 -2.00 -0.00 0.00 0.41 0.00 0.00 41.25 39.63 3i8c s ASN 211 CO 0.26 -1.71 0.34 0.68 -1.51 0.00 0.00 177.10 175.16 3i8c s VAL 212 N -3.24 0.05 0.56 1.60 -7.23 -0.96 -4.71 120.40 106.47 3i8c s VAL 212 Ca 0.60 -1.29 -0.21 0.00 -1.81 0.00 0.00 61.98 59.27 3i8c s VAL 212 Cb -0.13 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.93 3i8c s VAL 212 CO 0.53 -0.23 1.26 -1.83 -0.31 0.00 0.00 175.10 174.52 3i8c s GLU 213 N -3.96 3.14 0.05 4.82 -1.05 -1.26 -4.20 118.70 116.24 3i8c s GLU 213 Ca 0.16 1.98 0.03 0.00 -0.15 0.00 0.00 54.97 56.99 3i8c s GLU 213 Cb 0.02 -2.13 0.18 0.00 -0.44 0.00 0.00 34.13 31.77 3i8c s GLU 213 CO 0.00 -1.11 0.21 0.00 0.95 0.00 0.00 175.26 175.32 3i8c n ALA 214 N -1.21 0.14 -1.00 -0.84 0.00 -1.26 0.10 120.51 116.45 3i8c n ALA 214 Ca 0.11 0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.78 3i8c n ALA 214 Cb 0.48 -0.14 0.18 0.00 0.00 0.00 0.00 19.45 19.96 3i8c n ALA 214 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i8c n GLU 215 N -3.29 1.93 -1.67 0.00 -0.58 -1.26 -4.93 120.64 110.84 3i8c n GLU 215 Ca 0.05 -2.63 -0.54 0.00 -0.42 0.00 0.00 57.16 53.62 3i8c n GLU 215 Cb 0.18 -1.60 -0.06 0.00 -0.57 0.00 0.00 31.44 29.38 3i8c n GLU 215 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i8c n ALA 216 N -1.06 -0.16 0.00 0.62 0.00 0.12 -4.09 120.51 115.93 3i8c n ALA 216 Ca 0.17 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3i8c n ALA 216 Cb 0.71 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.93 3i8c n ALA 216 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i8c n SER 217 N 4.66 0.48 -4.04 0.00 3.41 -0.21 -4.97 113.62 112.94 3i8c n SER 217 Ca 0.23 -0.06 -0.20 0.00 -0.26 0.00 0.00 58.87 58.58 3i8c n SER 217 Cb 0.18 0.22 -0.15 0.00 -0.26 0.00 0.00 64.21 64.20 3i8c n SER 217 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3i8c s MET 218 N -0.32 0.91 -0.24 4.33 -1.94 -1.19 -4.65 119.30 116.19 3i8c s MET 218 Ca 0.00 -0.37 -0.02 0.00 -1.71 0.00 0.00 55.69 53.59 3i8c s MET 218 Cb 0.00 -0.87 0.01 0.00 2.01 0.00 0.00 34.83 35.99 3i8c s MET 218 CO 0.00 0.20 -0.06 0.08 -0.01 0.00 0.00 175.02 175.24 3i8c s VAL 219 N -0.15 3.02 -0.13 -6.03 1.01 -1.26 -2.00 120.40 114.86 3i8c s VAL 219 Ca 0.02 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 3i8c s VAL 219 Cb -0.05 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 3i8c s VAL 219 CO -0.00 0.28 -0.00 -0.63 0.00 0.00 0.00 175.10 174.75 3i8c s ILE 220 N 1.38 4.24 -0.38 2.22 1.01 0.88 -4.82 121.20 125.73 3i8c s ILE 220 Ca 0.02 -0.25 -0.12 0.00 0.00 0.00 0.00 60.65 60.31 3i8c s ILE 220 Cb -0.16 -2.84 0.03 0.00 0.01 0.00 0.00 42.46 39.50 3i8c s ILE 220 CO -0.04 0.53 0.22 0.00 0.00 0.00 0.00 174.94 175.65 3i8c s ALA 221 N -0.14 3.31 -0.11 9.38 0.00 -1.26 0.26 121.76 133.20 3i8c s ALA 221 Ca 0.04 -1.71 -0.27 0.00 0.00 0.00 0.00 51.96 50.03 3i8c s ALA 221 Cb -0.13 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.34 3i8c s ALA 221 CO 0.02 -1.38 0.87 0.08 0.00 0.00 0.00 175.76 175.35 3i8c s VAL 222 N 1.58 4.88 0.90 0.00 1.01 -0.28 -4.87 120.40 123.62 3i8c s VAL 222 Ca 0.03 1.76 -0.11 0.00 0.00 0.00 0.00 61.98 63.66 3i8c s VAL 222 Cb -0.19 -4.19 0.13 0.00 0.00 0.00 0.00 36.38 32.13 3i8c s VAL 222 CO 0.07 0.08 1.10 -2.16 0.00 0.00 0.00 175.10 174.19 3i8c s PRO 223 N 1.72 1.22 0.07 2.72 0.04 -1.26 -2.73 135.00 136.79 3i8c s PRO 223 Ca 0.42 1.17 -0.13 0.00 0.04 0.00 0.00 61.00 62.50 3i8c s PRO 223 Cb -0.18 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.57 3i8c s PRO 223 CO 0.17 -2.37 0.68 -1.91 0.04 0.00 0.00 177.00 173.61 3i8c n GLU 224 N -4.01 -0.19 0.06 4.56 2.13 -1.26 -1.17 120.64 120.76 3i8c n GLU 224 Ca 0.09 0.67 0.20 0.00 0.66 0.00 0.00 57.16 58.78 3i8c n GLU 224 Cb 0.53 -0.99 0.74 0.00 0.27 0.00 0.00 31.44 31.99 3i8c n GLU 224 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 3i8c h PRO 225 N 0.00 0.00 0.00 5.31 0.13 -1.90 -2.70 132.00 132.84 3i8c h PRO 225 Ca 0.08 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.81 3i8c h PRO 225 Cb 0.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.26 3i8c h PRO 225 CO -0.42 0.00 -2.30 1.19 -0.23 0.00 0.00 178.00 176.24 3i8c n PHE 226 N -3.99 0.04 -0.95 1.56 3.01 -0.32 -4.40 117.46 112.41 3i8c n PHE 226 Ca 0.08 0.02 0.12 0.00 1.01 0.00 0.00 57.45 58.68 3i8c n PHE 226 Cb 0.59 -0.94 -0.04 0.00 -0.01 0.00 0.00 39.48 39.08 3i8c n PHE 226 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i8c n GLY 227 N 1.29 -2.23 1.79 1.37 0.00 -0.75 -5.01 105.19 101.64 3i8c n GLY 227 Ca -0.49 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.28 3i8c n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8c n GLY 228 N -3.55 -1.79 2.93 -0.02 0.00 -1.25 -4.53 105.19 96.98 3i8c n GLY 228 Ca -0.02 -1.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 3i8c n GLY 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8c s ALA 229 N -1.74 -0.17 -0.16 4.61 0.00 0.72 -1.12 121.76 123.89 3i8c s ALA 229 Ca 0.00 0.27 -0.04 0.00 0.00 0.00 0.00 51.96 52.19 3i8c s ALA 229 Cb 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.93 3i8c s ALA 229 CO 0.00 -0.05 -0.04 0.42 0.00 0.00 0.00 175.76 176.09 3i8c s ILE 230 N 0.24 3.82 -0.12 0.00 1.01 0.14 -0.39 121.20 125.90 3i8c s ILE 230 Ca -0.02 -0.38 -0.00 0.00 0.00 0.00 0.00 60.65 60.25 3i8c s ILE 230 Cb -0.03 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 3i8c s ILE 230 CO -0.01 0.48 -0.12 -0.63 0.00 0.00 0.00 174.94 174.67 3i8c s ILE 231 N 0.48 3.16 -0.12 2.92 1.09 0.51 -0.08 121.20 129.17 3i8c s ILE 231 Ca -0.04 -0.63 0.00 0.00 -1.10 0.00 0.00 60.65 58.89 3i8c s ILE 231 Cb -0.14 -2.33 -0.01 0.00 -1.06 0.00 0.00 42.46 38.92 3i8c s ILE 231 CO 0.03 0.53 -0.14 -0.63 -0.10 0.00 0.00 174.94 174.63 3i8c s ILE 232 N 0.23 3.02 0.00 2.92 1.01 -0.85 -1.16 121.20 126.37 3i8c s ILE 232 Ca -0.08 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 59.89 3i8c s ILE 232 Cb -0.15 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.06 3i8c s ILE 232 CO 0.05 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.13 3i8c n GLY 233 N 3.45 5.89 3.81 6.18 0.00 -0.18 -1.05 105.19 123.30 3i8c n GLY 233 Ca -0.18 -2.11 -0.34 0.00 0.00 0.00 0.00 46.02 43.40 3i8c n GLY 233 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i8c s GLN 234 N -0.21 4.27 0.00 1.61 -1.52 -1.26 -4.18 119.66 118.38 3i8c s GLN 234 Ca 0.00 1.17 0.00 0.00 -1.95 0.00 0.00 55.36 54.58 3i8c s GLN 234 Cb 0.00 -2.28 0.00 0.00 -0.22 0.00 0.00 33.01 30.51 3i8c s GLN 234 CO 0.00 0.00 0.00 -0.85 -0.25 0.00 0.00 175.29 174.19 3i8c n GLU 235 N -0.45 0.00 -3.87 2.91 -0.00 -1.26 -4.82 120.64 113.16 3i8c n GLU 235 Ca 0.06 0.00 -0.10 0.00 -0.00 0.00 0.00 57.16 57.12 3i8c n GLU 235 Cb 0.53 -2.06 -0.09 0.00 -0.00 0.00 0.00 31.44 29.82 3i8c n GLU 235 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3i8c s SER 236 N -0.78 0.06 0.10 -1.84 0.15 -1.26 -3.61 113.70 106.52 3i8c s SER 236 Ca 0.00 -0.35 0.04 0.00 0.70 0.00 0.00 55.95 56.33 3i8c s SER 236 Cb 0.00 0.26 -0.04 0.00 -1.71 0.00 0.00 66.02 64.53 3i8c s SER 236 CO 0.00 -0.50 -0.10 -0.63 1.20 0.00 0.00 173.24 173.21 3i8c s ILE 237 N -2.26 0.96 0.15 6.45 1.01 -0.52 -1.01 121.20 125.97 3i8c s ILE 237 Ca -0.08 -1.65 -0.13 0.00 0.00 0.00 0.00 60.65 58.79 3i8c s ILE 237 Cb -0.03 -1.38 0.01 0.00 0.01 0.00 0.00 42.46 41.08 3i8c s ILE 237 CO -0.02 -0.56 0.36 0.42 0.00 0.00 0.00 174.94 175.14 3i8c s THR 238 N -2.45 0.07 -0.01 2.92 -4.23 -0.31 -1.63 115.64 110.00 3i8c s THR 238 Ca 0.06 -0.97 0.02 0.00 -1.18 0.00 0.00 61.69 59.62 3i8c s THR 238 Cb -0.03 -1.49 0.00 0.00 1.34 0.00 0.00 72.50 72.32 3i8c s THR 238 CO 0.00 -0.32 -0.05 -0.47 -0.54 0.00 0.00 174.62 173.23 3i8c s TYR 239 N -3.88 0.54 0.02 3.99 5.04 0.26 -0.36 117.35 122.96 3i8c s TYR 239 Ca 0.09 -0.11 0.04 0.00 -2.44 0.00 0.00 57.07 54.65 3i8c s TYR 239 Cb 0.02 -0.39 -0.02 0.00 0.35 0.00 0.00 41.96 41.93 3i8c s TYR 239 CO -0.06 -0.04 -0.13 -1.01 -1.34 0.00 0.00 175.55 172.97 3i8c s HIS 240 N 0.07 1.11 -0.20 4.97 3.76 0.48 -1.89 115.29 123.58 3i8c s HIS 240 Ca -0.00 -0.30 -0.33 0.00 -0.15 0.00 0.00 55.06 54.27 3i8c s HIS 240 Cb -0.05 -0.68 0.15 0.00 1.11 0.00 0.00 32.58 33.11 3i8c s HIS 240 CO -0.00 0.01 1.20 1.21 -0.85 0.00 0.00 174.74 176.31 3i8c s ASN 241 N -0.83 -0.15 0.00 1.40 3.84 -0.96 -0.20 114.94 118.03 3i8c s ASN 241 Ca 0.02 0.06 0.00 0.00 0.21 0.00 0.00 52.86 53.14 3i8c s ASN 241 Cb -0.07 0.15 0.00 0.00 -0.55 0.00 0.00 41.25 40.78 3i8c s ASN 241 CO 0.01 -0.22 0.00 0.61 -2.79 0.00 0.00 177.10 174.71 3i8c n GLY 242 N 0.12 0.51 1.27 1.21 0.00 -1.26 0.11 105.19 107.14 3i8c n GLY 242 Ca -0.01 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.22 3i8c n GLY 242 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i8c n ASP 243 N 0.60 3.79 -4.64 1.61 10.43 -1.26 -4.88 116.55 122.20 3i8c n ASP 243 Ca 0.00 -1.99 -0.40 0.00 2.57 0.00 0.00 54.79 54.96 3i8c n ASP 243 Cb 0.00 -0.42 -0.06 0.00 1.84 0.00 0.00 41.12 42.48 3i8c n ASP 243 CO 0.00 0.00 0.00 -0.75 -1.07 0.00 0.00 177.20 175.38 3i8c s LYS 244 N -1.11 4.16 -0.19 -1.24 2.47 0.12 -5.04 119.74 118.91 3i8c s LYS 244 Ca 0.45 0.60 -0.02 0.00 -1.56 0.00 0.00 55.97 55.44 3i8c s LYS 244 Cb 0.24 -3.62 0.06 0.00 -1.46 0.00 0.00 37.83 33.05 3i8c s LYS 244 CO 0.32 -0.34 0.02 -0.47 0.16 0.00 0.00 175.35 175.04 3i8c s TYR 245 N 2.25 1.19 -0.09 4.03 5.04 -1.26 -2.28 117.35 126.24 3i8c s TYR 245 Ca 0.28 -0.93 0.03 0.00 -2.44 0.00 0.00 57.07 54.00 3i8c s TYR 245 Cb -0.16 -1.09 -0.02 0.00 0.35 0.00 0.00 41.96 41.05 3i8c s TYR 245 CO 0.09 -0.61 -0.17 -0.51 -1.34 0.00 0.00 175.55 173.01 3i8c s LEU 246 N 1.80 2.54 -0.02 6.97 1.43 -0.79 -4.97 118.68 125.63 3i8c s LEU 246 Ca -0.01 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 3i8c s LEU 246 Cb -0.17 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.53 3i8c s LEU 246 CO -0.08 0.24 0.08 0.00 0.23 0.00 0.00 176.35 176.83 3i8c s ALA 247 N -0.11 -0.19 0.02 4.21 0.00 -1.26 -0.58 121.76 123.85 3i8c s ALA 247 Ca -0.03 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.03 3i8c s ALA 247 Cb -0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 3i8c s ALA 247 CO 0.04 -0.09 -0.07 0.96 0.00 0.00 0.00 175.76 176.60 3i8c s ILE 248 N -0.40 0.55 -0.53 0.00 -4.36 -0.64 -5.02 121.20 110.79 3i8c s ILE 248 Ca -0.05 -0.72 0.07 0.00 -0.26 0.00 0.00 60.65 59.69 3i8c s ILE 248 Cb -0.03 -0.54 0.25 0.00 1.25 0.00 0.00 42.46 43.39 3i8c s ILE 248 CO 0.00 -0.14 0.65 0.00 0.24 0.00 0.00 174.94 175.70 3i8c n ALA 249 N 2.12 3.35 -2.68 2.27 0.00 -1.26 -1.44 120.51 122.87 3i8c n ALA 249 Ca -0.18 -4.17 -0.42 0.00 0.00 0.00 0.00 53.44 48.67 3i8c n ALA 249 Cb 0.56 -0.86 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 3i8c n ALA 249 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i8c s PRO 250 N -1.93 4.38 0.55 0.00 0.04 -1.24 -4.88 135.00 131.92 3i8c s PRO 250 Ca 0.38 1.32 0.24 0.00 0.04 0.00 0.00 61.00 62.98 3i8c s PRO 250 Cb 0.16 -3.56 1.47 0.00 0.04 0.00 0.00 34.50 32.61 3i8c s PRO 250 CO -0.06 -0.35 2.09 -1.35 0.04 0.00 0.00 177.00 177.38 3i8c h PRO 251 N 7.17 0.00 -0.14 0.56 0.11 -1.99 -2.71 132.00 135.00 3i8c h PRO 251 Ca -0.30 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 3i8c h PRO 251 Cb 1.14 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3i8c h PRO 251 CO 0.86 0.00 0.06 0.97 -0.21 0.00 0.00 178.00 179.69 3i8c h ILE 252 N 0.00 1.05 -0.00 4.15 2.10 -1.94 -0.32 117.51 122.56 3i8c h ILE 252 Ca 0.11 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.90 3i8c h ILE 252 Cb 0.50 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.11 3i8c h ILE 252 CO -0.00 0.06 -0.21 2.30 -1.08 0.00 0.00 178.15 179.22 3i8c n ILE 253 N -4.49 0.00 0.11 2.19 -5.35 -1.02 -3.95 119.36 106.86 3i8c n ILE 253 Ca -0.01 -0.03 0.02 0.00 -0.27 0.00 0.00 62.75 62.46 3i8c n ILE 253 Cb 0.10 -0.05 0.37 0.00 -1.74 0.00 0.00 39.64 38.32 3i8c n ILE 253 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3i8c h LYS 254 N 0.31 0.25 -1.00 6.28 3.64 -1.16 -3.26 116.57 121.63 3i8c h LYS 254 Ca 0.00 -0.06 0.24 0.00 -1.27 0.00 0.00 60.65 59.56 3i8c h LYS 254 Cb 0.45 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.14 3i8c h LYS 254 CO 0.00 0.41 0.64 0.37 -2.27 0.00 0.00 179.45 178.60 3i8c h GLN 255 N 0.24 0.46 -2.67 1.90 5.75 -1.70 -3.41 115.11 115.67 3i8c h GLN 255 Ca 0.05 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.59 3i8c h GLN 255 Cb 0.41 -0.10 -0.11 0.00 1.07 0.00 0.00 27.48 28.75 3i8c h GLN 255 CO 0.03 0.30 0.35 0.45 -2.65 0.00 0.00 178.83 177.30 3i8c s SER 256 N -5.37 -0.39 0.19 -0.69 0.15 -1.23 -5.08 113.70 101.29 3i8c s SER 256 Ca -0.09 -0.17 -0.29 0.00 0.70 0.00 0.00 55.95 56.09 3i8c s SER 256 Cb 0.25 0.54 -0.08 0.00 -1.71 0.00 0.00 66.02 65.02 3i8c s SER 256 CO 0.80 -0.92 0.92 -0.89 1.20 0.00 0.00 173.24 174.35 3i8c s THR 257 N -3.51 4.23 0.65 6.45 2.01 -1.26 -4.82 115.64 119.38 3i8c s THR 257 Ca 0.06 2.03 -0.13 0.00 0.31 0.00 0.00 61.69 63.96 3i8c s THR 257 Cb -0.02 -4.30 -0.01 0.00 0.01 0.00 0.00 72.50 68.18 3i8c s THR 257 CO -0.06 0.45 1.05 -0.63 -0.69 0.00 0.00 174.62 174.75 3i8c s ILE 258 N -0.85 4.00 0.00 1.82 1.01 -1.26 -1.77 121.20 124.15 3i8c s ILE 258 Ca 0.42 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.83 3i8c s ILE 258 Cb -0.25 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.80 3i8c s ILE 258 CO 0.31 -0.75 0.00 0.55 0.00 0.00 0.00 174.94 175.05 3i8c n VAL 259 N -2.69 0.00 -3.94 2.92 3.14 0.46 -4.92 118.33 113.29 3i8c n VAL 259 Ca 0.08 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.36 3i8c n VAL 259 Cb 0.53 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.26 3i8c n VAL 259 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3i8c s HIS 261 N -3.98 -0.22 -0.29 0.00 -0.00 -1.26 -0.73 115.29 108.81 3i8c s HIS 261 Ca 0.19 -0.18 -0.16 0.00 -0.00 0.00 0.00 55.06 54.90 3i8c s HIS 261 Cb 0.01 0.68 0.15 0.00 -0.00 0.00 0.00 32.58 33.41 3i8c s HIS 261 CO 0.04 -1.12 0.99 1.21 -0.00 0.00 0.00 174.74 175.86 3i8c s ASN 262 N -2.90 -0.49 0.03 7.38 2.47 -0.89 -4.68 114.94 115.86 3i8c s ASN 262 Ca 0.10 0.79 -0.30 0.00 0.42 0.00 0.00 52.86 53.87 3i8c s ASN 262 Cb -0.05 1.19 -0.06 0.00 -1.45 0.00 0.00 41.25 40.88 3i8c s ASN 262 CO 0.04 -0.13 1.43 -0.60 -3.72 0.00 0.00 177.10 174.12 3i8c s ARG 263 N 1.29 4.28 -0.09 0.43 3.52 -1.26 -0.45 118.95 126.67 3i8c s ARG 263 Ca -0.09 2.02 -0.05 0.00 -0.13 0.00 0.00 55.73 57.49 3i8c s ARG 263 Cb -0.04 -3.52 -0.02 0.00 -1.56 0.00 0.00 34.95 29.82 3i8c s ARG 263 CO -0.14 -0.57 -0.10 0.28 -0.81 0.00 0.00 175.30 173.96 3i8c h VAL 264 N 4.79 0.00 -3.32 7.11 2.07 -1.55 -3.43 116.25 121.93 3i8c h VAL 264 Ca -0.39 -0.64 -0.58 0.00 0.82 0.00 0.00 66.70 65.92 3i8c h VAL 264 Cb 1.19 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 3i8c h VAL 264 CO 0.90 0.00 -0.12 -1.81 0.02 0.00 0.00 177.57 176.56 3i8c s ASP 265 N -4.88 6.72 0.47 0.57 1.01 -1.22 -4.96 116.67 114.37 3i8c s ASP 265 Ca -0.08 0.86 0.32 0.00 0.71 0.00 0.00 52.55 54.36 3i8c s ASP 265 Cb 0.01 -2.30 1.44 0.00 1.01 0.00 0.00 42.92 43.08 3i8c s ASP 265 CO 0.12 0.01 1.67 -0.65 0.21 0.00 0.00 175.17 176.53 3i8c h PRO 266 N 6.61 0.11 0.00 8.23 0.11 -1.93 1.92 132.00 147.05 3i8c h PRO 266 Ca -0.42 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.54 3i8c h PRO 266 Cb 1.18 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3i8c h PRO 266 CO 0.75 0.07 -0.68 -2.95 -0.21 0.00 0.00 178.00 174.98 3i8c h ASN 267 N 0.11 0.00 -1.53 -2.05 -1.07 -1.95 -3.45 115.58 105.65 3i8c h ASN 267 Ca 0.76 0.00 0.00 0.00 0.07 0.00 0.00 56.30 57.13 3i8c h ASN 267 Cb 2.52 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 38.77 3i8c h ASN 267 CO -0.27 0.68 0.00 0.61 0.07 0.00 0.00 177.43 178.52 3i8c n GLY 268 N 0.74 0.68 0.15 9.14 0.00 0.65 -4.45 105.19 112.10 3i8c n GLY 268 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 3i8c n GLY 268 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i8c h SER 269 N 0.00 0.02 -4.12 1.61 4.64 -1.86 -3.44 113.55 110.40 3i8c h SER 269 Ca 0.00 -0.01 -0.50 0.00 -0.47 0.00 0.00 61.79 60.81 3i8c h SER 269 Cb 0.99 -0.01 -0.30 0.00 -0.31 0.00 0.00 62.40 62.78 3i8c h SER 269 CO 0.00 0.59 -0.82 -0.13 -0.87 0.00 0.00 176.83 175.60 3i8c s ARG 270 N -3.72 1.26 0.05 4.77 0.52 -1.26 0.38 118.95 120.96 3i8c s ARG 270 Ca -0.02 -0.51 0.02 0.00 -0.52 0.00 0.00 55.73 54.70 3i8c s ARG 270 Cb 0.13 -1.19 -0.03 0.00 0.52 0.00 0.00 34.95 34.38 3i8c s ARG 270 CO 0.76 0.28 -0.07 0.71 0.02 0.00 0.00 175.30 177.00 3i8c s TYR 271 N -0.21 0.67 0.05 -0.53 1.51 -0.32 -1.30 117.35 117.23 3i8c s TYR 271 Ca 0.03 -0.60 -0.11 0.00 -1.01 0.00 0.00 57.07 55.38 3i8c s TYR 271 Cb -0.07 -0.40 -0.06 0.00 -0.11 0.00 0.00 41.96 41.32 3i8c s TYR 271 CO 0.00 -0.12 0.40 -0.51 -1.11 0.00 0.00 175.55 174.22 3i8c s LEU 272 N -1.89 4.39 -0.06 -1.29 1.43 0.41 -0.16 118.68 121.51 3i8c s LEU 272 Ca -0.06 0.84 0.01 0.00 -1.03 0.00 0.00 54.13 53.89 3i8c s LEU 272 Cb -0.07 -2.86 0.02 0.00 0.03 0.00 0.00 46.19 43.32 3i8c s LEU 272 CO -0.01 0.22 -0.05 -0.76 0.23 0.00 0.00 176.35 175.97 3i8c s LEU 273 N -1.66 1.28 -0.22 1.79 1.43 -0.10 -2.09 118.68 119.11 3i8c s LEU 273 Ca 0.30 -0.17 -0.08 0.00 -1.03 0.00 0.00 54.13 53.16 3i8c s LEU 273 Cb -0.15 -0.55 -0.04 0.00 0.03 0.00 0.00 46.19 45.49 3i8c s LEU 273 CO 0.16 -0.06 0.08 -0.83 0.23 0.00 0.00 176.35 175.93 3i8c s GLY 274 N 1.08 1.86 0.50 -3.19 0.00 0.09 -0.96 107.32 106.70 3i8c s GLY 274 Ca -0.08 -0.93 -0.09 0.00 0.00 0.00 0.00 44.72 43.62 3i8c s GLY 274 CO -0.01 0.31 0.86 -0.35 0.00 0.00 0.00 173.10 173.91 3i8c s ASP 275 N 1.02 6.33 0.28 1.64 3.68 -1.14 -0.41 116.67 128.08 3i8c s ASP 275 Ca 0.05 1.14 0.24 0.00 2.13 0.00 0.00 52.55 56.10 3i8c s ASP 275 Cb -0.14 -2.34 1.03 0.00 -1.45 0.00 0.00 42.92 40.02 3i8c s ASP 275 CO 0.03 -0.61 1.73 0.80 0.13 0.00 0.00 175.17 177.25 3i8c n MET 276 N -2.13 0.20 0.09 4.34 0.00 -0.73 -2.68 117.12 116.21 3i8c n MET 276 Ca 0.03 0.45 -0.03 0.00 -0.00 0.00 0.00 57.70 58.15 3i8c n MET 276 Cb 0.54 -1.91 -0.06 0.00 0.00 0.00 0.00 33.22 31.80 3i8c n MET 276 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 3i8c h GLU 277 N 0.00 0.00 0.00 2.12 4.39 -1.94 -3.47 114.58 115.68 3i8c h GLU 277 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i8c h GLU 277 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3i8c h GLU 277 CO 0.00 0.77 0.00 0.41 -1.16 0.00 0.00 179.01 179.03 3i8c n GLY 278 N 1.30 0.84 3.79 -3.84 0.00 -1.09 -4.76 105.19 101.43 3i8c n GLY 278 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3i8c n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8c s ARG 279 N -0.41 3.72 -0.13 1.61 0.52 -1.26 0.60 118.95 123.60 3i8c s ARG 279 Ca 0.00 1.44 0.01 0.00 -0.52 0.00 0.00 55.73 56.66 3i8c s ARG 279 Cb 0.00 -2.11 0.02 0.00 0.52 0.00 0.00 34.95 33.38 3i8c s ARG 279 CO 0.00 -0.51 -0.17 -1.17 0.02 0.00 0.00 175.30 173.47 3i8c s LEU 280 N -3.49 1.85 0.29 2.53 2.96 -0.96 -2.89 118.68 118.97 3i8c s LEU 280 Ca 0.68 -0.51 0.09 0.00 -0.22 0.00 0.00 54.13 54.17 3i8c s LEU 280 Cb -0.19 -1.24 -0.04 0.00 0.50 0.00 0.00 46.19 45.22 3i8c s LEU 280 CO 0.22 0.01 0.09 -0.36 -1.32 0.00 0.00 176.35 174.99 3i8c s PHE 281 N 1.10 2.79 -0.09 5.38 0.40 -0.13 -1.15 117.98 126.26 3i8c s PHE 281 Ca -0.03 -0.25 0.04 0.00 -0.60 0.00 0.00 56.93 56.09 3i8c s PHE 281 Cb -0.14 -1.38 -0.01 0.00 0.51 0.00 0.00 43.02 42.00 3i8c s PHE 281 CO -0.05 0.50 -0.23 1.41 0.70 0.00 0.00 175.22 177.56 3i8c s MET 282 N -3.77 2.94 -0.18 0.44 -2.45 -0.07 -0.93 119.30 115.28 3i8c s MET 282 Ca 0.34 -0.86 -0.02 0.00 -1.25 0.00 0.00 55.69 53.89 3i8c s MET 282 Cb -0.06 -2.30 -0.01 0.00 1.25 0.00 0.00 34.83 33.71 3i8c s MET 282 CO 0.22 0.25 -0.08 -1.17 1.05 0.00 0.00 175.02 175.30 3i8c s LEU 283 N 0.17 2.88 0.01 4.11 0.20 0.78 -0.65 118.68 126.18 3i8c s LEU 283 Ca -0.13 -0.33 0.08 0.00 0.69 0.00 0.00 54.13 54.44 3i8c s LEU 283 Cb -0.16 -1.70 -0.02 0.00 -0.43 0.00 0.00 46.19 43.88 3i8c s LEU 283 CO 0.07 0.08 -0.24 -0.76 -0.29 0.00 0.00 176.35 175.21 3i8c s LEU 284 N 0.89 2.10 -0.33 -0.68 1.02 0.40 -1.18 118.68 120.91 3i8c s LEU 284 Ca -0.02 -0.49 -0.00 0.00 0.02 0.00 0.00 54.13 53.64 3i8c s LEU 284 Cb -0.15 -1.21 0.08 0.00 0.02 0.00 0.00 46.19 44.93 3i8c s LEU 284 CO 0.01 0.26 0.04 -0.76 0.02 0.00 0.00 176.35 175.92 3i8c s LEU 285 N -0.86 4.33 -0.52 1.79 1.43 0.16 -1.32 118.68 123.68 3i8c s LEU 285 Ca 0.10 -1.65 -0.28 0.00 -1.03 0.00 0.00 54.13 51.26 3i8c s LEU 285 Cb -0.09 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.44 3i8c s LEU 285 CO 0.00 -0.34 1.38 -0.70 0.23 0.00 0.00 176.35 176.92 3i8c s GLU 286 N 1.13 3.41 1.05 1.70 2.12 0.29 -4.76 118.70 123.64 3i8c s GLU 286 Ca 0.01 0.55 -0.18 0.00 0.36 0.00 0.00 54.97 55.71 3i8c s GLU 286 Cb -0.20 -4.08 0.27 0.00 0.26 0.00 0.00 34.13 30.38 3i8c s GLU 286 CO -0.04 -1.79 0.69 1.63 -0.54 0.00 0.00 175.26 175.21 3i8c n LYS 287 N 8.45 -3.77 -3.31 4.30 5.02 -1.26 0.19 118.16 127.78 3i8c n LYS 287 Ca 0.13 -1.15 0.03 0.00 -2.02 0.00 0.00 58.31 55.30 3i8c n LYS 287 Cb 0.49 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 34.10 3i8c n LYS 287 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3i8c s GLU 288 N -4.63 0.24 -0.02 1.97 2.12 -1.07 -4.17 118.70 113.13 3i8c s GLU 288 Ca 0.51 0.55 -0.14 0.00 0.36 0.00 0.00 54.97 56.25 3i8c s GLU 288 Cb -0.08 0.33 -0.05 0.00 0.26 0.00 0.00 34.13 34.59 3i8c s GLU 288 CO 0.42 -0.12 0.38 -2.00 -0.54 0.00 0.00 175.26 173.39 3i8c s GLU 289 N 2.51 3.90 -0.11 4.30 2.12 -1.26 -1.61 118.70 128.55 3i8c s GLU 289 Ca -0.01 0.35 0.03 0.00 0.36 0.00 0.00 54.97 55.70 3i8c s GLU 289 Cb -0.06 -3.23 0.01 0.00 0.26 0.00 0.00 34.13 31.10 3i8c s GLU 289 CO -0.16 0.66 -0.21 1.14 -0.54 0.00 0.00 175.26 176.15 3i8c s GLN 290 N -0.95 2.80 0.00 4.30 -2.07 -1.26 -5.02 119.66 117.46 3i8c s GLN 290 Ca 0.23 -0.79 0.00 0.00 -1.82 0.00 0.00 55.36 52.98 3i8c s GLN 290 Cb -0.16 -2.18 0.00 0.00 -1.09 0.00 0.00 33.01 29.58 3i8c s GLN 290 CO 0.12 0.09 0.00 -1.33 -1.32 0.00 0.00 175.29 172.85 3i8c n MET 291 N 3.75 0.00 -2.00 9.60 2.81 -1.26 -2.08 117.12 127.94 3i8c n MET 291 Ca -0.20 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.27 3i8c n MET 291 Cb 0.52 -0.04 0.00 0.00 -0.71 0.00 0.00 33.22 32.99 3i8c n MET 291 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3i8c n ASP 292 N 0.00 4.71 -3.56 7.83 5.75 -1.26 -4.88 116.55 125.14 3i8c n ASP 292 Ca 0.00 -2.97 -0.13 0.00 -0.01 0.00 0.00 54.79 51.68 3i8c n ASP 292 Cb 0.00 -1.56 -0.06 0.00 -1.03 0.00 0.00 41.12 38.47 3i8c n ASP 292 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3i8c s GLY 293 N 1.99 -0.37 0.58 6.12 0.00 -0.88 -5.17 107.32 109.59 3i8c s GLY 293 Ca 0.44 1.84 -0.19 0.00 0.00 0.00 0.00 44.72 46.81 3i8c s GLY 293 CO -0.05 1.07 1.23 -1.59 0.00 0.00 0.00 173.10 173.76 3i8c s THR 294 N -1.03 2.56 0.29 0.90 2.01 -1.26 -4.45 115.64 114.65 3i8c s THR 294 Ca -0.04 0.36 -0.30 0.00 0.31 0.00 0.00 61.69 62.02 3i8c s THR 294 Cb -0.01 -3.15 -0.12 0.00 0.01 0.00 0.00 72.50 69.23 3i8c s THR 294 CO 0.04 -0.06 1.55 1.33 -0.69 0.00 0.00 174.62 176.79 3i8c n VAL 295 N -1.47 1.08 -3.10 3.82 0.24 -1.26 -4.68 118.33 112.96 3i8c n VAL 295 Ca 0.13 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 3i8c n VAL 295 Cb 0.49 -1.87 0.00 0.00 -1.47 0.00 0.00 33.84 30.98 3i8c n VAL 295 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3i8c n THR 296 N 1.98 0.00 -4.21 3.34 5.66 -0.63 -4.72 114.28 115.70 3i8c n THR 296 Ca 0.09 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.91 3i8c n THR 296 Cb 0.36 -0.64 -0.11 0.00 -1.55 0.00 0.00 70.33 68.39 3i8c n THR 296 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3i8c s LEU 297 N 0.00 2.35 -0.11 1.09 1.02 -1.26 -2.61 118.68 119.16 3i8c s LEU 297 Ca 0.00 -0.73 -0.08 0.00 0.02 0.00 0.00 54.13 53.34 3i8c s LEU 297 Cb 0.00 -0.52 -0.05 0.00 0.02 0.00 0.00 46.19 45.64 3i8c s LEU 297 CO 0.00 -0.13 -0.18 1.17 0.02 0.00 0.00 176.35 177.23 3i8c n LYS 298 N 0.84 0.29 -3.73 1.70 3.00 0.13 -4.87 118.16 115.52 3i8c n LYS 298 Ca -0.18 0.12 -0.10 0.00 -0.00 0.00 0.00 58.31 58.16 3i8c n LYS 298 Cb 0.56 -0.99 -0.05 0.00 0.00 0.00 0.00 35.03 34.55 3i8c n LYS 298 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3i8c s ASP 299 N -6.18 -0.16 -0.01 3.14 2.15 -1.18 -5.01 116.67 109.42 3i8c s ASP 299 Ca -0.18 -0.47 0.02 0.00 0.43 0.00 0.00 52.55 52.35 3i8c s ASP 299 Cb 0.06 0.47 -0.00 0.00 -0.30 0.00 0.00 42.92 43.15 3i8c s ASP 299 CO 0.24 -0.89 -0.08 -1.48 -0.17 0.00 0.00 175.17 172.79 3i8c s LEU 300 N -2.85 1.93 0.23 -1.34 2.34 -1.26 0.10 118.68 117.83 3i8c s LEU 300 Ca 0.06 -0.15 0.03 0.00 0.06 0.00 0.00 54.13 54.13 3i8c s LEU 300 Cb 0.02 -0.44 -0.05 0.00 -0.56 0.00 0.00 46.19 45.16 3i8c s LEU 300 CO -0.08 0.08 0.02 0.00 -1.06 0.00 0.00 176.35 175.31 3i8c s ARG 301 N -0.04 1.33 -0.13 1.48 1.70 -0.44 -4.92 118.95 117.92 3i8c s ARG 301 Ca 0.01 -1.68 0.02 0.00 -0.47 0.00 0.00 55.73 53.62 3i8c s ARG 301 Cb -0.05 -0.50 0.01 0.00 -0.57 0.00 0.00 34.95 33.84 3i8c s ARG 301 CO -0.00 -0.14 -0.21 0.08 -1.08 0.00 0.00 175.30 173.94 3i8c s VAL 302 N -3.52 1.98 -0.18 4.99 1.01 -1.26 -0.45 120.40 122.96 3i8c s VAL 302 Ca 0.30 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 3i8c s VAL 302 Cb 0.06 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.70 3i8c s VAL 302 CO 0.09 0.53 -0.14 -1.61 0.00 0.00 0.00 175.10 173.97 3i8c s GLU 303 N 0.82 3.17 0.07 2.72 2.02 0.17 -4.95 118.70 122.72 3i8c s GLU 303 Ca -0.07 -0.75 -0.31 0.00 0.02 0.00 0.00 54.97 53.86 3i8c s GLU 303 Cb -0.16 -2.71 -0.08 0.00 0.10 0.00 0.00 34.13 31.29 3i8c s GLU 303 CO -0.02 -0.13 1.49 -1.17 0.02 0.00 0.00 175.26 175.45 3i8c s LEU 304 N 1.19 4.35 -0.02 1.80 2.96 -1.26 -0.90 118.68 126.80 3i8c s LEU 304 Ca 0.02 2.34 0.13 0.00 -0.22 0.00 0.00 54.13 56.40 3i8c s LEU 304 Cb -0.14 -3.57 -0.20 0.00 0.50 0.00 0.00 46.19 42.78 3i8c s LEU 304 CO -0.06 -0.76 0.27 0.18 -1.32 0.00 0.00 176.35 174.66 3i8c n LEU 305 N 4.85 0.00 0.00 -0.68 4.77 -0.30 -4.89 117.00 120.75 3i8c n LEU 305 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3i8c n LEU 305 Cb 0.42 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3i8c n LEU 305 CO 0.60 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 3i8c n GLY 306 N 1.79 0.08 3.48 -0.72 0.00 -1.22 -0.92 105.19 107.68 3i8c n GLY 306 Ca -0.03 -1.05 -0.07 0.00 0.00 0.00 0.00 46.02 44.87 3i8c n GLY 306 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i8c s GLU 307 N -2.00 0.52 0.00 1.61 2.12 -1.26 -2.25 118.70 117.44 3i8c s GLU 307 Ca 0.00 1.14 0.00 0.00 0.36 0.00 0.00 54.97 56.47 3i8c s GLU 307 Cb 0.00 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.70 3i8c s GLU 307 CO 0.00 -0.18 0.00 0.25 -0.54 0.00 0.00 175.26 174.79 3i8c n THR 308 N 4.79 0.00 -1.58 -1.70 -2.24 0.20 -4.95 114.28 108.80 3i8c n THR 308 Ca -0.17 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.31 3i8c n THR 308 Cb 0.54 -0.09 0.06 0.00 -2.10 0.00 0.00 70.33 68.74 3i8c n THR 308 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3i8c s SER 309 N -0.55 5.14 -0.17 3.42 0.01 -1.26 -4.68 113.70 115.61 3i8c s SER 309 Ca 0.00 1.51 -0.36 0.00 1.31 0.00 0.00 55.95 58.41 3i8c s SER 309 Cb 0.00 -2.35 -0.13 0.00 0.21 0.00 0.00 66.02 63.75 3i8c s SER 309 CO 0.00 -1.58 1.88 -0.38 0.41 0.00 0.00 173.24 173.57 3i8c n ILE 310 N -3.21 0.47 -3.22 1.44 2.08 -1.26 -4.68 119.36 110.98 3i8c n ILE 310 Ca 0.07 -0.11 -0.39 0.00 0.56 0.00 0.00 62.75 62.88 3i8c n ILE 310 Cb 0.54 -1.69 -0.06 0.00 -0.75 0.00 0.00 39.64 37.68 3i8c n ILE 310 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i8c s ALA 311 N 4.31 3.53 -0.06 -1.39 0.00 -1.26 -4.19 121.76 122.70 3i8c s ALA 311 Ca 0.96 -0.33 -0.14 0.00 0.00 0.00 0.00 51.96 52.45 3i8c s ALA 311 Cb -0.81 -2.84 -0.30 0.00 0.00 0.00 0.00 23.12 19.17 3i8c s ALA 311 CO 0.55 -0.41 0.67 0.93 0.00 0.00 0.00 175.76 177.50 3i8c h GLU 312 N 7.37 0.35 -4.13 0.00 4.39 -0.96 -3.44 114.58 118.16 3i8c h GLU 312 Ca -0.34 -0.61 -0.42 0.00 0.34 0.00 0.00 59.36 58.33 3i8c h GLU 312 Cb 1.16 0.23 -0.34 0.00 -0.10 0.00 0.00 28.75 29.70 3i8c h GLU 312 CO 0.75 1.29 -0.78 0.00 -1.16 0.00 0.00 179.01 179.11 3i8c s LEU 314 N 0.80 1.77 -0.16 0.00 1.02 -1.26 -0.47 118.68 120.38 3i8c s LEU 314 Ca -0.12 -0.24 -0.04 0.00 0.02 0.00 0.00 54.13 53.75 3i8c s LEU 314 Cb -0.14 -0.69 0.07 0.00 0.02 0.00 0.00 46.19 45.45 3i8c s LEU 314 CO 0.01 0.08 0.18 -0.89 0.02 0.00 0.00 176.35 175.74 3i8c s THR 315 N 0.26 -0.26 0.23 5.49 2.01 -1.10 -4.65 115.64 117.62 3i8c s THR 315 Ca -0.05 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 3i8c s THR 315 Cb -0.11 -0.55 -0.10 0.00 0.01 0.00 0.00 72.50 71.76 3i8c s THR 315 CO 0.01 -0.12 1.42 -0.47 -0.69 0.00 0.00 174.62 174.78 3i8c s TYR 316 N 2.28 3.06 0.00 4.92 5.04 -1.26 -1.78 117.35 129.61 3i8c s TYR 316 Ca 0.05 1.04 0.00 0.00 -2.44 0.00 0.00 57.07 55.72 3i8c s TYR 316 Cb -0.15 -3.79 0.00 0.00 0.35 0.00 0.00 41.96 38.38 3i8c s TYR 316 CO -0.10 -2.57 0.00 1.28 -1.34 0.00 0.00 175.55 172.82 3i8c n LEU 317 N 2.48 0.00 0.00 6.97 4.77 0.69 -4.93 117.00 126.97 3i8c n LEU 317 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3i8c n LEU 317 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3i8c n LEU 317 CO 0.60 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 177.13 3i8c n ASP 318 N 0.00 0.00 -3.92 -1.43 10.43 -1.26 -4.81 116.55 115.56 3i8c n ASP 318 Ca 0.00 0.00 -0.30 0.00 2.57 0.00 0.00 54.79 57.06 3i8c n ASP 318 Cb 0.00 0.00 -0.14 0.00 1.84 0.00 0.00 41.12 42.82 3i8c n ASP 318 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 3i8c s ASN 319 N -1.95 4.31 0.00 -2.24 0.01 -1.26 -4.63 114.94 109.19 3i8c s ASN 319 Ca 0.00 -2.64 0.00 0.00 -0.71 0.00 0.00 52.86 49.51 3i8c s ASN 319 Cb 0.00 -1.49 0.00 0.00 0.41 0.00 0.00 41.25 40.17 3i8c s ASN 319 CO 0.00 -0.29 0.00 0.61 -1.51 0.00 0.00 177.10 175.91 3i8c n GLY 320 N 3.59 0.50 3.72 0.66 0.00 -1.26 -4.90 105.19 107.50 3i8c n GLY 320 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3i8c n GLY 320 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i8c s VAL 321 N -2.43 4.87 -0.09 1.61 -7.23 -1.26 0.45 120.40 116.31 3i8c s VAL 321 Ca 0.00 1.75 0.02 0.00 -1.81 0.00 0.00 61.98 61.93 3i8c s VAL 321 Cb 0.00 -4.17 0.02 0.00 0.56 0.00 0.00 36.38 32.78 3i8c s VAL 321 CO 0.00 0.25 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.22 3i8c s VAL 322 N 0.60 1.30 0.05 1.32 1.01 0.14 -0.22 120.40 124.59 3i8c s VAL 322 Ca 0.43 -0.53 -0.22 0.00 0.00 0.00 0.00 61.98 61.66 3i8c s VAL 322 Cb -0.20 -1.20 -0.06 0.00 0.00 0.00 0.00 36.38 34.92 3i8c s VAL 322 CO 0.24 0.40 0.67 0.12 0.00 0.00 0.00 175.10 176.53 3i8c s PHE 323 N 0.97 3.76 -0.31 5.22 5.36 -0.73 -0.76 117.98 131.49 3i8c s PHE 323 Ca -0.08 1.37 0.02 0.00 -0.96 0.00 0.00 56.93 57.28 3i8c s PHE 323 Cb -0.15 -2.68 0.09 0.00 -0.34 0.00 0.00 43.02 39.94 3i8c s PHE 323 CO -0.00 0.40 0.04 0.08 -1.46 0.00 0.00 175.22 174.27 3i8c s VAL 324 N -0.49 1.72 -0.24 3.12 1.01 -0.10 -2.73 120.40 122.70 3i8c s VAL 324 Ca 0.34 -1.82 -0.21 0.00 0.00 0.00 0.00 61.98 60.28 3i8c s VAL 324 Cb -0.20 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 3i8c s VAL 324 CO 0.21 -0.50 0.67 -0.83 0.00 0.00 0.00 175.10 174.65 3i8c s GLY 325 N 1.21 1.86 0.16 4.51 0.00 0.38 -1.11 107.32 114.33 3i8c s GLY 325 Ca 0.06 -0.33 0.09 0.00 0.00 0.00 0.00 44.72 44.54 3i8c s GLY 325 CO -0.12 1.49 -0.20 -0.45 0.00 0.00 0.00 173.10 173.81 3i8c s SER 326 N 1.38 2.84 0.00 1.64 0.15 -1.26 -0.28 113.70 118.17 3i8c s SER 326 Ca 0.29 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 56.11 3i8c s SER 326 Cb -0.16 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.98 3i8c s SER 326 CO 0.09 0.02 0.00 -2.11 1.20 0.00 0.00 173.24 172.44 3i8c n ARG 327 N 0.45 2.43 0.25 5.44 1.85 -1.26 -2.37 116.66 123.44 3i8c n ARG 327 Ca -0.14 0.00 0.16 0.00 -1.00 0.00 0.00 57.85 56.87 3i8c n ARG 327 Cb 0.56 -0.76 0.58 0.00 -1.05 0.00 0.00 32.46 31.79 3i8c n ARG 327 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 3i8c h LEU 328 N 0.00 0.00 0.00 2.89 3.38 -1.96 -3.26 115.31 116.36 3i8c h LEU 328 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3i8c h LEU 328 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3i8c h LEU 328 CO 0.00 0.00 -0.07 0.61 0.09 0.00 0.00 178.44 179.07 3i8c n GLY 329 N 0.22 2.52 3.75 0.83 0.00 -1.26 -3.09 105.19 108.16 3i8c n GLY 329 Ca 0.01 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 3i8c n GLY 329 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i8c s ASP 330 N -2.17 6.82 0.60 1.61 1.01 -1.26 -4.56 116.67 118.73 3i8c s ASP 330 Ca 0.15 2.53 -0.16 0.00 0.71 0.00 0.00 52.55 55.79 3i8c s ASP 330 Cb -0.01 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.27 3i8c s ASP 330 CO 0.11 -0.55 1.08 -0.44 0.21 0.00 0.00 175.17 175.58 3i8c s SER 331 N 0.07 5.60 0.09 0.27 0.01 -0.30 -4.68 113.70 114.75 3i8c s SER 331 Ca 0.55 1.91 -0.16 0.00 1.31 0.00 0.00 55.95 59.56 3i8c s SER 331 Cb -0.38 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.33 3i8c s SER 331 CO 0.43 -1.29 0.38 0.00 0.41 0.00 0.00 173.24 173.17 3i8c s GLN 332 N -3.96 0.98 -0.14 12.44 -2.07 -0.27 0.37 119.66 127.02 3i8c s GLN 332 Ca 0.66 -0.59 -0.07 0.00 -1.82 0.00 0.00 55.36 53.54 3i8c s GLN 332 Cb -0.18 0.43 -0.04 0.00 -1.09 0.00 0.00 33.01 32.13 3i8c s GLN 332 CO 0.36 -0.36 0.10 -1.17 -1.32 0.00 0.00 175.29 172.90 3i8c s LEU 333 N -2.48 4.12 -0.00 2.60 2.96 0.42 -0.92 118.68 125.37 3i8c s LEU 333 Ca -0.00 0.31 0.01 0.00 -0.22 0.00 0.00 54.13 54.22 3i8c s LEU 333 Cb 0.01 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.69 3i8c s LEU 333 CO -0.08 0.33 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.57 3i8c s VAL 334 N -0.57 0.22 -0.17 1.68 1.01 0.06 0.22 120.40 122.84 3i8c s VAL 334 Ca 0.12 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 3i8c s VAL 334 Cb -0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 3i8c s VAL 334 CO 0.02 0.07 0.07 -0.75 0.00 0.00 0.00 175.10 174.51 3i8c s LYS 335 N 0.04 3.87 -0.21 2.72 2.47 0.12 0.24 119.74 128.99 3i8c s LYS 335 Ca -0.00 -0.33 -0.07 0.00 -1.56 0.00 0.00 55.97 54.02 3i8c s LYS 335 Cb -0.02 -3.19 -0.03 0.00 -1.46 0.00 0.00 37.83 33.13 3i8c s LYS 335 CO -0.00 0.35 0.05 -0.51 0.16 0.00 0.00 175.35 175.40 3i8c s LEU 336 N 0.15 3.55 0.14 5.43 1.43 0.17 -0.44 118.68 129.12 3i8c s LEU 336 Ca 0.05 -0.09 0.10 0.00 -1.03 0.00 0.00 54.13 53.16 3i8c s LEU 336 Cb -0.12 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 3i8c s LEU 336 CO 0.00 0.07 -0.20 0.20 0.23 0.00 0.00 176.35 176.65 3i8c s ASN 337 N 0.99 3.71 0.50 2.29 0.02 -0.51 -4.65 114.94 117.29 3i8c s ASN 337 Ca 0.03 -0.67 0.23 0.00 -1.02 0.00 0.00 52.86 51.43 3i8c s ASN 337 Cb -0.14 -0.43 1.34 0.00 0.02 0.00 0.00 41.25 42.04 3i8c s ASN 337 CO 0.03 0.16 2.07 0.58 0.02 0.00 0.00 177.10 179.95 3i8c h VAL 338 N 3.44 0.77 -3.32 1.60 2.07 -1.99 -3.43 116.25 115.40 3i8c h VAL 338 Ca -0.49 -0.49 -0.66 0.00 0.82 0.00 0.00 66.70 65.88 3i8c h VAL 338 Cb 1.18 1.29 -0.28 0.00 -1.52 0.00 0.00 31.29 31.97 3i8c h VAL 338 CO 0.46 0.12 -0.77 -1.81 0.02 0.00 0.00 177.57 175.59 3i8c s ASP 339 N -6.47 3.96 0.84 0.57 1.01 -1.26 -5.10 116.67 110.22 3i8c s ASP 339 Ca -0.04 -0.36 -0.11 0.00 0.71 0.00 0.00 52.55 52.75 3i8c s ASP 339 Cb 0.14 -1.61 0.10 0.00 1.01 0.00 0.00 42.92 42.56 3i8c s ASP 339 CO 0.62 0.14 1.14 -0.94 0.21 0.00 0.00 175.17 176.34 3i8c s SER 340 N 0.52 3.59 0.00 0.27 1.04 -1.26 -4.75 113.70 113.11 3i8c s SER 340 Ca -0.09 2.13 0.00 0.00 0.48 0.00 0.00 55.95 58.47 3i8c s SER 340 Cb -0.16 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.40 3i8c s SER 340 CO 0.04 -2.66 0.00 -0.46 0.98 0.00 0.00 173.24 171.14 3i8c n ASN 341 N -3.74 0.00 -4.71 7.02 0.23 -0.90 -4.89 115.26 108.27 3i8c n ASN 341 Ca 0.11 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.76 3i8c n ASN 341 Cb 0.52 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.18 3i8c n ASN 341 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 3i8c s GLU 342 N 2.36 4.47 0.00 -3.83 1.03 -1.26 -2.44 118.70 119.03 3i8c s GLU 342 Ca 0.00 1.08 0.00 0.00 0.03 0.00 0.00 54.97 56.08 3i8c s GLU 342 Cb 0.00 -3.46 0.00 0.00 -0.80 0.00 0.00 34.13 29.87 3i8c s GLU 342 CO 0.00 -0.02 0.00 0.94 -1.33 0.00 0.00 175.26 174.85 3i8c n GLN 343 N 3.97 0.00 -1.66 -4.83 7.27 -1.26 -4.70 117.38 116.18 3i8c n GLN 343 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.09 3i8c n GLN 343 Cb 0.51 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.16 3i8c n GLN 343 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i8c n GLY 344 N -0.30 0.91 3.51 1.69 0.00 -1.02 -5.05 105.19 104.93 3i8c n GLY 344 Ca 0.00 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 3i8c n GLY 344 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i8c s SER 345 N -2.64 5.46 0.00 1.61 0.15 -1.26 -4.82 113.70 112.20 3i8c s SER 345 Ca 0.00 -0.11 0.24 0.00 0.70 0.00 0.00 55.95 56.78 3i8c s SER 345 Cb 0.00 -1.99 1.44 0.00 -1.71 0.00 0.00 66.02 63.76 3i8c s SER 345 CO 0.00 -0.02 1.92 -1.22 1.20 0.00 0.00 173.24 175.13 3i8c n TYR 346 N 4.81 0.00 -4.55 3.44 4.02 -0.10 -2.12 117.16 122.66 3i8c n TYR 346 Ca -0.16 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.40 3i8c n TYR 346 Cb 0.52 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.71 3i8c n TYR 346 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3i8c s VAL 347 N -2.00 3.66 -0.08 -0.72 1.01 -1.19 -1.43 120.40 119.66 3i8c s VAL 347 Ca 0.36 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3i8c s VAL 347 Cb 0.17 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 34.01 3i8c s VAL 347 CO 0.28 0.53 -0.07 -0.69 0.00 0.00 0.00 175.10 175.15 3i8c s VAL 348 N 0.00 0.83 0.33 2.92 1.01 0.42 -4.92 120.40 120.99 3i8c s VAL 348 Ca -0.01 -0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.46 3i8c s VAL 348 Cb -0.14 -0.84 -0.09 0.00 0.00 0.00 0.00 36.38 35.31 3i8c s VAL 348 CO 0.03 0.31 1.17 0.00 0.00 0.00 0.00 175.10 176.62 3i8c s ALA 349 N 1.29 3.36 -0.13 5.51 0.00 -1.26 0.13 121.76 130.67 3i8c s ALA 349 Ca -0.04 1.01 0.04 0.00 0.00 0.00 0.00 51.96 52.97 3i8c s ALA 349 Cb -0.14 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.50 3i8c s ALA 349 CO -0.03 -0.39 -0.06 -1.33 0.00 0.00 0.00 175.76 173.95 3i8c n MET 350 N 0.76 1.04 -3.76 0.00 2.81 0.13 -4.81 117.12 113.29 3i8c n MET 350 Ca 0.01 0.05 -0.13 0.00 -1.81 0.00 0.00 57.70 55.82 3i8c n MET 350 Cb 0.44 -1.27 -0.08 0.00 -0.71 0.00 0.00 33.22 31.60 3i8c n MET 350 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 3i8c s GLU 351 N -2.27 0.70 -0.09 0.03 2.12 -0.54 -4.95 118.70 113.71 3i8c s GLU 351 Ca -0.14 -0.27 0.01 0.00 0.36 0.00 0.00 54.97 54.94 3i8c s GLU 351 Cb 0.04 0.31 0.02 0.00 0.26 0.00 0.00 34.13 34.76 3i8c s GLU 351 CO 0.36 -0.20 -0.11 0.99 -0.54 0.00 0.00 175.26 175.76 3i8c s THR 352 N -1.62 1.10 -0.11 -1.70 2.01 -1.26 0.16 115.64 114.22 3i8c s THR 352 Ca -0.12 -0.41 -0.01 0.00 0.31 0.00 0.00 61.69 61.46 3i8c s THR 352 Cb -0.04 -1.05 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 3i8c s THR 352 CO 0.03 0.36 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.90 3i8c s PHE 353 N 1.07 2.99 -0.02 4.92 0.40 1.17 -4.95 117.98 123.56 3i8c s PHE 353 Ca -0.07 -0.14 -0.29 0.00 -0.60 0.00 0.00 56.93 55.84 3i8c s PHE 353 Cb -0.15 -1.83 -0.03 0.00 0.51 0.00 0.00 43.02 41.52 3i8c s PHE 353 CO -0.01 0.16 0.92 0.95 0.70 0.00 0.00 175.22 177.94 3i8c s THR 354 N -0.25 4.90 -0.20 0.64 -4.23 -1.26 -1.15 115.64 114.09 3i8c s THR 354 Ca 0.04 1.93 -0.04 0.00 -1.18 0.00 0.00 61.69 62.44 3i8c s THR 354 Cb -0.13 -4.26 -0.02 0.00 1.34 0.00 0.00 72.50 69.43 3i8c s THR 354 CO 0.02 0.17 -0.04 0.21 -0.54 0.00 0.00 174.62 174.45 3i8c s ASN 355 N 0.97 4.48 0.00 3.99 2.47 -1.26 -4.84 114.94 120.75 3i8c s ASN 355 Ca 0.49 -0.30 0.13 0.00 0.42 0.00 0.00 52.86 53.60 3i8c s ASN 355 Cb -0.20 -1.75 0.77 0.00 -1.45 0.00 0.00 41.25 38.62 3i8c s ASN 355 CO 0.26 0.05 1.21 0.18 -3.72 0.00 0.00 177.10 175.08 3i8c n LEU 356 N 4.35 0.00 0.00 3.21 4.77 -1.26 -4.58 117.00 123.49 3i8c n LEU 356 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3i8c n LEU 356 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3i8c n LEU 356 CO 0.30 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3i8c n GLY 357 N 0.09 -1.53 3.62 -0.72 0.00 -1.26 -3.65 105.19 101.73 3i8c n GLY 357 Ca 0.10 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 3i8c n GLY 357 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i8c s PRO 358 N 0.00 3.65 -0.22 1.61 0.02 -1.17 -2.80 135.00 136.09 3i8c s PRO 358 Ca 0.00 1.46 -0.29 0.00 0.02 0.00 0.00 61.00 62.19 3i8c s PRO 358 Cb 0.00 -4.06 -0.01 0.00 0.02 0.00 0.00 34.50 30.45 3i8c s PRO 358 CO 0.00 -1.47 1.25 0.42 -0.33 0.00 0.00 177.00 176.87 3i8c s ILE 359 N 5.60 4.28 -0.14 2.83 1.01 -0.93 -2.65 121.20 131.20 3i8c s ILE 359 Ca 0.71 1.52 0.12 0.00 0.00 0.00 0.00 60.65 63.00 3i8c s ILE 359 Cb -0.22 -4.09 -0.17 0.00 0.01 0.00 0.00 42.46 37.99 3i8c s ILE 359 CO 0.30 -0.26 0.04 0.52 0.00 0.00 0.00 174.94 175.55 3i8c n VAL 360 N 5.64 0.98 -3.69 2.92 0.31 0.01 -4.34 118.33 120.16 3i8c n VAL 360 Ca 0.14 -0.59 -0.09 0.00 -0.01 0.00 0.00 64.34 63.78 3i8c n VAL 360 Cb 0.46 -0.65 -0.03 0.00 -0.91 0.00 0.00 33.84 32.71 3i8c n VAL 360 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i8c s ASP 361 N -4.79 -0.35 0.31 4.52 3.68 -1.25 -4.74 116.67 114.04 3i8c s ASP 361 Ca -0.08 -0.39 -0.19 0.00 2.13 0.00 0.00 52.55 54.01 3i8c s ASP 361 Cb 0.04 0.65 0.03 0.00 -1.45 0.00 0.00 42.92 42.19 3i8c s ASP 361 CO 0.57 -1.15 0.74 0.00 0.13 0.00 0.00 175.17 175.47 3i8c s MET 362 N -3.86 1.92 0.25 4.34 0.23 -1.26 -0.61 119.30 120.31 3i8c s MET 362 Ca 0.08 -1.12 -0.21 0.00 -1.03 0.00 0.00 55.69 53.40 3i8c s MET 362 Cb -0.03 0.61 0.04 0.00 -1.53 0.00 0.00 34.83 33.93 3i8c s MET 362 CO -0.02 -0.88 0.82 0.00 -2.03 0.00 0.00 175.02 172.91 3i8c s VAL 364 N -3.35 3.05 -0.27 0.00 1.01 -1.26 -0.86 120.40 118.73 3i8c s VAL 364 Ca 0.13 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 3i8c s VAL 364 Cb -0.04 -2.26 0.15 0.00 0.00 0.00 0.00 36.38 34.23 3i8c s VAL 364 CO 0.06 0.54 0.45 -0.69 0.00 0.00 0.00 175.10 175.46 3i8c s VAL 365 N 0.10 -0.73 0.00 2.92 1.01 -0.96 -4.97 120.40 117.78 3i8c s VAL 365 Ca -0.06 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.84 3i8c s VAL 365 Cb -0.15 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.34 3i8c s VAL 365 CO 0.05 -0.11 0.96 0.47 0.00 0.00 0.00 175.10 176.47 3i8c n ASP 366 N 5.38 0.00 0.00 3.32 8.00 -1.26 -3.84 116.55 128.15 3i8c n ASP 366 Ca -0.02 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.53 3i8c n ASP 366 Cb 0.50 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 3i8c n ASP 366 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3i8c n LEU 367 N 4.86 0.00 -1.08 0.64 4.77 -1.26 0.30 117.00 125.22 3i8c n LEU 367 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3i8c n LEU 367 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3i8c n LEU 367 CO 0.48 0.00 0.23 -1.84 -1.33 0.00 0.00 177.39 174.93 3i8c n GLU 368 N -0.64 0.42 -3.92 3.23 0.00 -1.26 -4.80 120.64 113.68 3i8c n GLU 368 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 56.82 3i8c n GLU 368 Cb 0.00 -1.29 0.01 0.00 0.00 0.00 0.00 31.44 30.16 3i8c n GLU 368 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3i8c n ARG 369 N 0.89 -0.55 -0.07 3.44 0.63 0.86 -4.88 116.66 116.98 3i8c n ARG 369 Ca 0.00 0.06 -0.12 0.00 -0.92 0.00 0.00 57.85 56.87 3i8c n ARG 369 Cb 0.21 -1.71 -0.06 0.00 0.45 0.00 0.00 32.46 31.35 3i8c n ARG 369 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3i8c n GLN 370 N -3.80 0.33 0.00 -0.14 6.02 -1.25 -5.02 117.38 113.52 3i8c n GLN 370 Ca -0.12 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3i8c n GLN 370 Cb 0.46 -1.15 0.00 0.00 1.02 0.00 0.00 30.24 30.57 3i8c n GLN 370 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i8c n GLY 371 N 2.49 2.06 3.68 1.08 0.00 -1.26 -4.94 105.19 108.30 3i8c n GLY 371 Ca -0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 3i8c n GLY 371 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3i8c s GLN 372 N 0.00 4.16 0.42 1.61 1.03 -1.25 -4.37 119.66 121.26 3i8c s GLN 372 Ca 0.00 -0.02 -0.25 0.00 0.04 0.00 0.00 55.36 55.14 3i8c s GLN 372 Cb 0.00 -3.51 -0.08 0.00 0.03 0.00 0.00 33.01 29.45 3i8c s GLN 372 CO 0.00 0.08 1.18 0.20 -2.54 0.00 0.00 175.29 174.21 3i8c s GLY 373 N 0.88 2.85 0.17 2.60 0.00 -1.23 -4.32 107.32 108.26 3i8c s GLY 373 Ca 0.14 0.99 0.07 0.00 0.00 0.00 0.00 44.72 45.91 3i8c s GLY 373 CO 0.05 1.49 -0.00 1.20 0.00 0.00 0.00 173.10 175.84 3i8c s GLN 374 N -2.42 2.41 -0.03 2.90 -1.52 -1.25 -4.55 119.66 115.21 3i8c s GLN 374 Ca 0.59 -1.08 0.06 0.00 -1.95 0.00 0.00 55.36 52.98 3i8c s GLN 374 Cb -0.31 -2.37 -0.02 0.00 -0.22 0.00 0.00 33.01 30.08 3i8c s GLN 374 CO 0.38 0.46 -0.20 -1.17 -0.25 0.00 0.00 175.29 174.51 3i8c s LEU 375 N -2.87 2.39 -0.14 2.90 2.96 -0.44 -2.26 118.68 121.21 3i8c s LEU 375 Ca 0.27 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 3i8c s LEU 375 Cb -0.10 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.17 3i8c s LEU 375 CO 0.18 0.32 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.69 3i8c s VAL 376 N -0.70 1.65 0.03 1.68 1.01 -0.04 0.11 120.40 124.16 3i8c s VAL 376 Ca 0.11 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.46 3i8c s VAL 376 Cb -0.10 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 3i8c s VAL 376 CO 0.00 0.47 -0.17 0.42 0.00 0.00 0.00 175.10 175.82 3i8c s THR 377 N 1.33 2.85 -0.35 3.92 -4.23 -0.58 -1.18 115.64 117.39 3i8c s THR 377 Ca 0.02 -1.14 -0.27 0.00 -1.18 0.00 0.00 61.69 59.12 3i8c s THR 377 Cb -0.13 -2.20 0.02 0.00 1.34 0.00 0.00 72.50 71.53 3i8c s THR 377 CO -0.09 0.35 1.00 0.00 -0.54 0.00 0.00 174.62 175.35 3i8c s SER 379 N 1.80 3.57 0.00 0.00 0.01 0.76 -0.81 113.70 119.04 3i8c s SER 379 Ca 0.42 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.68 3i8c s SER 379 Cb -0.12 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.82 3i8c s SER 379 CO 0.18 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.49 3i8c n GLY 380 N -0.49 -2.10 3.33 3.44 0.00 -1.08 0.94 105.19 109.23 3i8c n GLY 380 Ca -0.06 -1.47 -0.11 0.00 0.00 0.00 0.00 46.02 44.38 3i8c n GLY 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8c s ALA 381 N -1.06 -0.99 0.00 4.61 0.00 -1.18 -4.71 121.76 118.43 3i8c s ALA 381 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.98 3i8c s ALA 381 Cb 0.00 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.81 3i8c s ALA 381 CO 0.00 -0.64 0.00 1.19 0.00 0.00 0.00 175.76 176.31 3i8c n PHE 382 N -0.19 0.00 0.14 0.00 3.01 -1.26 -1.86 117.46 117.30 3i8c n PHE 382 Ca -0.16 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.48 3i8c n PHE 382 Cb 0.64 0.01 0.78 0.00 -0.01 0.00 0.00 39.48 40.90 3i8c n PHE 382 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3i8c h LYS 383 N 0.00 0.00 0.00 -1.08 2.10 -1.83 0.38 116.57 116.14 3i8c h LYS 383 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3i8c h LYS 383 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3i8c h LYS 383 CO 0.00 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.84 3i8c n GLU 384 N -3.87 0.66 -1.42 0.07 -0.58 -0.77 -3.89 120.64 110.83 3i8c n GLU 384 Ca 0.04 0.02 -0.35 0.00 -0.42 0.00 0.00 57.16 56.45 3i8c n GLU 384 Cb 0.45 -1.50 0.10 0.00 -0.57 0.00 0.00 31.44 29.92 3i8c n GLU 384 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3i8c s GLY 385 N -2.13 2.45 0.14 0.62 0.00 0.13 -4.33 107.32 104.20 3i8c s GLY 385 Ca 0.33 0.98 -0.25 0.00 0.00 0.00 0.00 44.72 45.78 3i8c s GLY 385 CO 0.30 1.40 1.02 -1.35 0.00 0.00 0.00 173.10 174.47 3i8c s SER 386 N -1.86 -0.12 0.15 1.64 1.04 0.27 -1.69 113.70 113.13 3i8c s SER 386 Ca 0.77 -0.44 0.05 0.00 0.48 0.00 0.00 55.95 56.81 3i8c s SER 386 Cb -0.32 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 3i8c s SER 386 CO 0.45 -0.85 0.10 -0.76 0.98 0.00 0.00 173.24 173.16 3i8c s LEU 387 N -3.06 3.72 -0.04 2.42 1.43 -0.37 -0.17 118.68 122.61 3i8c s LEU 387 Ca 0.15 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 3i8c s LEU 387 Cb -0.01 -2.35 0.03 0.00 0.03 0.00 0.00 46.19 43.89 3i8c s LEU 387 CO 0.02 0.09 0.04 -0.13 0.23 0.00 0.00 176.35 176.60 3i8c s ARG 388 N -2.94 0.12 -0.20 1.70 1.81 -1.00 -2.67 118.95 115.76 3i8c s ARG 388 Ca 0.30 0.26 -0.09 0.00 -1.72 0.00 0.00 55.73 54.48 3i8c s ARG 388 Cb -0.10 -0.57 -0.05 0.00 -0.45 0.00 0.00 34.95 33.78 3i8c s ARG 388 CO 0.22 -0.28 0.11 0.42 -0.68 0.00 0.00 175.30 175.09 3i8c s ILE 389 N 1.84 5.14 -0.20 1.52 1.09 -1.24 -1.53 121.20 127.81 3i8c s ILE 389 Ca 0.01 0.09 0.01 0.00 -1.10 0.00 0.00 60.65 59.66 3i8c s ILE 389 Cb -0.12 -3.35 0.05 0.00 -1.06 0.00 0.00 42.46 37.97 3i8c s ILE 389 CO -0.03 0.42 -0.09 -0.63 -0.10 0.00 0.00 174.94 174.51 3i8c s ILE 390 N 0.57 1.57 -0.15 2.92 1.01 0.31 -0.06 121.20 127.37 3i8c s ILE 390 Ca 0.06 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.70 3i8c s ILE 390 Cb -0.12 -1.69 0.03 0.00 0.01 0.00 0.00 42.46 40.68 3i8c s ILE 390 CO 0.00 0.12 -0.12 -0.60 0.00 0.00 0.00 174.94 174.35 3i8c s ARG 391 N 1.42 2.04 0.27 2.79 3.00 0.59 -1.32 118.95 127.73 3i8c s ARG 391 Ca -0.02 -0.54 -0.30 0.00 -1.00 0.00 0.00 55.73 53.87 3i8c s ARG 391 Cb -0.17 -2.05 -0.11 0.00 0.00 0.00 0.00 34.95 32.63 3i8c s ARG 391 CO -0.08 -0.29 1.49 1.21 0.00 0.00 0.00 175.30 177.63 3i8c s ASN 392 N 1.53 6.55 0.00 -2.12 3.04 -1.26 0.10 114.94 122.78 3i8c s ASN 392 Ca 0.04 2.78 0.00 0.00 0.04 0.00 0.00 52.86 55.71 3i8c s ASN 392 Cb -0.13 -2.63 0.00 0.00 -1.54 0.00 0.00 41.25 36.95 3i8c s ASN 392 CO -0.10 -0.77 0.00 0.61 -3.04 0.00 0.00 177.10 173.80 3i8c n GLY 393 N 2.05 2.16 3.63 1.21 0.00 0.48 -4.83 105.19 109.89 3i8c n GLY 393 Ca 0.07 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 3i8c n GLY 393 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i8c s ILE 394 N -1.71 4.91 0.23 -0.61 1.01 0.15 -4.60 121.20 120.58 3i8c s ILE 394 Ca 0.00 1.25 0.06 0.00 0.00 0.00 0.00 60.65 61.96 3i8c s ILE 394 Cb 0.00 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 3i8c s ILE 394 CO 0.00 -0.05 0.21 -0.83 0.00 0.00 0.00 174.94 174.27 3i8c s GLY 395 N 1.47 1.45 0.07 6.18 0.00 -1.26 0.65 107.32 115.87 3i8c s GLY 395 Ca 0.30 -1.34 0.03 0.00 0.00 0.00 0.00 44.72 43.71 3i8c s GLY 395 CO 0.09 -1.37 -0.08 -0.26 0.00 0.00 0.00 173.10 171.48 3i8c s ILE 396 N -2.02 0.69 -0.34 0.90 -0.00 -1.26 -3.15 121.20 116.01 3i8c s ILE 396 Ca 0.33 -1.39 -0.10 0.00 -0.00 0.00 0.00 60.65 59.49 3i8c s ILE 396 Cb -0.09 -1.02 0.02 0.00 -0.00 0.00 0.00 42.46 41.37 3i8c s ILE 396 CO 0.25 -0.51 0.16 -1.00 -0.00 0.00 0.00 174.94 173.84 3i8c s HIS 397 N -2.08 3.22 -0.46 1.37 3.76 -1.25 -5.02 115.29 114.82 3i8c s HIS 397 Ca -0.02 -0.91 -0.29 0.00 -0.15 0.00 0.00 55.06 53.70 3i8c s HIS 397 Cb -0.05 -2.38 0.03 0.00 1.11 0.00 0.00 32.58 31.29 3i8c s HIS 397 CO -0.01 -0.59 1.14 -1.83 -0.85 0.00 0.00 174.74 172.60 3i8c s GLU 398 N 1.55 3.76 -0.12 1.40 -1.05 -1.26 -4.10 118.70 118.87 3i8c s GLU 398 Ca 0.02 0.62 -0.04 0.00 -0.15 0.00 0.00 54.97 55.42 3i8c s GLU 398 Cb -0.18 -3.89 -0.01 0.00 -0.44 0.00 0.00 34.13 29.60 3i8c s GLU 398 CO 0.06 -1.34 -0.08 0.45 0.95 0.00 0.00 175.26 175.29 3i8c h HIS 399 N 9.14 0.00 -0.74 4.83 3.86 -1.77 -3.48 115.15 127.00 3i8c h HIS 399 Ca -0.23 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.43 3i8c h HIS 399 Cb 1.06 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.50 3i8c h HIS 399 CO 0.96 0.00 -0.27 0.00 0.86 0.00 0.00 177.93 179.48 3i8c s ALA 400 N -2.64 4.44 -0.41 2.45 0.00 -1.26 -5.02 121.76 119.31 3i8c s ALA 400 Ca -0.07 -1.53 0.06 0.00 0.00 0.00 0.00 51.96 50.42 3i8c s ALA 400 Cb 0.01 -0.91 0.17 0.00 0.00 0.00 0.00 23.12 22.39 3i8c s ALA 400 CO 0.10 -0.50 0.54 0.45 0.00 0.00 0.00 175.76 176.35 3i8c s SER 401 N -4.34 -0.45 -0.37 0.00 0.15 -1.25 -4.51 113.70 102.93 3i8c s SER 401 Ca 0.42 -1.27 -0.05 0.00 0.70 0.00 0.00 55.95 55.74 3i8c s SER 401 Cb -0.03 1.36 0.07 0.00 -1.71 0.00 0.00 66.02 65.71 3i8c s SER 401 CO 0.26 -0.19 0.15 -0.63 1.20 0.00 0.00 173.24 174.03 3i8c s ILE 402 N 1.51 3.62 -0.63 6.45 1.09 -1.08 -4.91 121.20 127.25 3i8c s ILE 402 Ca 0.19 -1.48 -0.26 0.00 -1.10 0.00 0.00 60.65 58.00 3i8c s ILE 402 Cb -0.07 -3.20 -0.06 0.00 -1.06 0.00 0.00 42.46 38.07 3i8c s ILE 402 CO -0.06 -0.37 2.13 -1.81 -0.10 0.00 0.00 174.94 174.73 3i8c s ASP 403 N 1.67 4.79 -0.58 3.58 -0.00 -1.26 -0.77 116.67 124.10 3i8c s ASP 403 Ca 0.01 0.41 0.04 0.00 -0.00 0.00 0.00 52.55 53.01 3i8c s ASP 403 Cb -0.21 -2.53 0.16 0.00 -0.00 0.00 0.00 42.92 40.34 3i8c s ASP 403 CO 0.00 -2.79 0.39 -0.76 -0.00 0.00 0.00 175.17 172.01 3i8c s LEU 404 N 11.00 3.77 -0.85 1.23 1.43 -1.26 -4.73 118.68 129.27 3i8c s LEU 404 Ca 0.81 -3.37 -0.25 0.00 -1.03 0.00 0.00 54.13 50.29 3i8c s LEU 404 Cb -0.13 -1.32 -0.06 0.00 0.03 0.00 0.00 46.19 44.70 3i8c s LEU 404 CO 0.18 -0.15 2.04 -2.84 0.23 0.00 0.00 176.35 175.81 3i8c s PRO 405 N -0.69 2.36 0.00 1.29 0.02 -1.26 -3.57 135.00 133.15 3i8c s PRO 405 Ca 0.24 -0.05 0.00 0.00 0.02 0.00 0.00 61.00 61.21 3i8c s PRO 405 Cb -0.10 -4.95 0.00 0.00 0.02 0.00 0.00 34.50 29.47 3i8c s PRO 405 CO -0.12 -3.55 0.00 0.41 -0.33 0.00 0.00 177.00 173.41 3i8c n GLY 406 N 6.76 -1.02 0.00 0.52 0.00 -1.25 -4.95 105.19 105.25 3i8c n GLY 406 Ca 0.40 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.86 3i8c n GLY 406 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i8c n ILE 407 N 0.00 0.00 -1.39 -0.61 5.41 -1.23 -4.54 119.36 116.99 3i8c n ILE 407 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.78 3i8c n ILE 407 Cb 0.00 0.00 0.20 0.00 -0.71 0.00 0.00 39.64 39.13 3i8c n ILE 407 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3i8c n LYS 408 N 0.00 1.80 -2.91 0.38 4.76 0.25 -4.89 118.16 117.54 3i8c n LYS 408 Ca 0.00 -3.10 0.00 0.00 -2.87 0.00 0.00 58.31 52.34 3i8c n LYS 408 Cb 0.00 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 31.48 3i8c n LYS 408 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i8c n GLY 409 N -1.10 -1.65 0.00 0.72 0.00 -1.19 -4.64 105.19 97.32 3i8c n GLY 409 Ca 0.25 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3i8c n GLY 409 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i8c n LEU 410 N 0.00 0.00 -4.55 0.99 -0.00 -1.26 -3.46 117.00 108.72 3i8c n LEU 410 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.76 3i8c n LEU 410 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 3i8c n LEU 410 CO 0.00 0.00 -0.29 0.26 -0.00 0.00 0.00 177.39 177.36 3i8c s TRP 411 N -0.09 2.30 1.03 1.47 0.51 -1.16 -4.63 118.94 118.37 3i8c s TRP 411 Ca 0.00 -0.77 -0.17 0.00 -2.12 0.00 0.00 56.10 53.04 3i8c s TRP 411 Cb 0.00 -1.57 0.26 0.00 -0.81 0.00 0.00 33.47 31.36 3i8c s TRP 411 CO 0.00 0.29 0.73 -2.30 -0.51 0.00 0.00 176.95 175.16 3i8c n PRO 412 N -0.85 -3.51 -3.15 4.98 -0.02 -1.26 -4.13 135.00 127.07 3i8c n PRO 412 Ca -0.04 -1.20 0.06 0.00 -2.02 0.00 0.00 63.50 60.30 3i8c n PRO 412 Cb 0.67 -1.35 -0.01 0.00 -0.02 0.00 0.00 33.50 32.79 3i8c n PRO 412 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i8c s LEU 413 N 0.00 -0.06 -0.39 2.45 2.96 -1.20 -4.64 118.68 117.79 3i8c s LEU 413 Ca 0.52 0.02 -0.15 0.00 -0.22 0.00 0.00 54.13 54.30 3i8c s LEU 413 Cb -0.07 1.04 0.01 0.00 0.50 0.00 0.00 46.19 47.67 3i8c s LEU 413 CO 0.42 -0.01 0.31 0.00 -1.32 0.00 0.00 176.35 175.75 3i8c s ARG 414 N 2.99 3.16 0.00 1.98 1.70 -1.26 -1.67 118.95 125.85 3i8c s ARG 414 Ca 0.20 -0.85 -0.02 0.00 -0.47 0.00 0.00 55.73 54.59 3i8c s ARG 414 Cb -0.02 -3.92 -0.10 0.00 -0.57 0.00 0.00 34.95 30.34 3i8c s ARG 414 CO -0.18 -0.68 1.88 0.45 -1.08 0.00 0.00 175.30 175.69 3i8c n SER 415 N 5.23 3.02 0.00 -2.89 2.88 -1.26 -4.67 113.62 115.94 3i8c n SER 415 Ca -0.11 -1.97 0.00 0.00 -1.33 0.00 0.00 58.87 55.46 3i8c n SER 415 Cb 0.48 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.19 3i8c n SER 415 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3i8c n ASP 416 N 2.35 0.00 0.00 -3.46 2.03 -1.26 -4.96 116.55 111.25 3i8c n ASP 416 Ca 0.16 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.52 3i8c n ASP 416 Cb 0.44 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 41.17 3i8c n ASP 416 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3i8c n PRO 417 N -0.02 0.60 0.03 -0.67 -0.02 -1.26 -4.41 135.00 129.26 3i8c n PRO 417 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3i8c n PRO 417 Cb 0.00 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 3i8c n PRO 417 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3i8c n ASN 418 N -0.79 0.41 -4.68 2.55 0.23 -1.26 -5.09 115.26 106.63 3i8c n ASN 418 Ca 0.08 0.09 -0.39 0.00 -0.53 0.00 0.00 54.58 53.83 3i8c n ASN 418 Cb 0.04 -0.10 0.03 0.00 -2.08 0.00 0.00 39.78 37.67 3i8c n ASN 418 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 3i8c n ARG 419 N -2.95 1.48 0.19 -3.83 1.85 -1.26 -4.89 116.66 107.26 3i8c n ARG 419 Ca 0.00 0.54 0.14 0.00 -1.00 0.00 0.00 57.85 57.53 3i8c n ARG 419 Cb 0.00 -2.33 0.60 0.00 -1.05 0.00 0.00 32.46 29.69 3i8c n ARG 419 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 3i8c h GLU 420 N 1.36 0.00 -6.82 2.89 4.39 -1.96 -3.45 114.58 110.99 3i8c h GLU 420 Ca -0.48 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 58.74 3i8c h GLU 420 Cb 1.32 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.95 3i8c h GLU 420 CO 0.56 0.00 0.27 0.95 -1.16 0.00 0.00 179.01 179.63 3i8c s THR 421 N -3.49 4.35 -0.19 1.13 -4.23 -1.26 -4.85 115.64 107.10 3i8c s THR 421 Ca 0.02 1.59 0.00 0.00 -1.18 0.00 0.00 61.69 62.12 3i8c s THR 421 Cb 0.09 -3.89 0.02 0.00 1.34 0.00 0.00 72.50 70.06 3i8c s THR 421 CO 0.43 0.08 -0.16 -0.31 -0.54 0.00 0.00 174.62 174.11 3i8c s TYR 422 N -1.69 2.84 -0.27 3.99 1.51 -1.25 -4.29 117.35 118.19 3i8c s TYR 422 Ca 0.50 -1.55 0.12 0.00 -1.01 0.00 0.00 57.07 55.13 3i8c s TYR 422 Cb -0.16 -1.96 0.75 0.00 -0.11 0.00 0.00 41.96 40.48 3i8c s TYR 422 CO 0.21 -0.76 1.73 -0.40 -1.11 0.00 0.00 175.55 175.22 3i8c n ASP 423 N 4.64 5.05 -3.81 2.29 5.68 -0.67 -3.86 116.55 125.87 3i8c n ASP 423 Ca -0.20 -3.10 -0.12 0.00 -0.50 0.00 0.00 54.79 50.87 3i8c n ASP 423 Cb 0.50 -0.70 -0.10 0.00 -1.14 0.00 0.00 41.12 39.68 3i8c n ASP 423 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3i8c s THR 424 N -2.90 0.05 -0.22 2.12 2.01 -0.98 0.14 115.64 115.85 3i8c s THR 424 Ca 0.53 -0.38 -0.02 0.00 0.31 0.00 0.00 61.69 62.14 3i8c s THR 424 Cb 0.42 -0.45 0.07 0.00 0.01 0.00 0.00 72.50 72.55 3i8c s THR 424 CO 0.14 -0.21 0.03 -0.22 -0.69 0.00 0.00 174.62 173.67 3i8c s LEU 425 N -0.82 1.66 -0.09 4.42 2.96 -0.94 -3.25 118.68 122.62 3i8c s LEU 425 Ca -0.09 -1.05 -0.23 0.00 -0.22 0.00 0.00 54.13 52.55 3i8c s LEU 425 Cb -0.05 -0.76 -0.03 0.00 0.50 0.00 0.00 46.19 45.84 3i8c s LEU 425 CO 0.02 -0.31 0.68 -0.69 -1.32 0.00 0.00 176.35 174.72 3i8c s VAL 426 N 1.72 5.05 -0.22 1.68 1.01 -1.26 -3.05 120.40 125.33 3i8c s VAL 426 Ca -0.00 1.37 0.01 0.00 0.00 0.00 0.00 61.98 63.36 3i8c s VAL 426 Cb -0.17 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.25 3i8c s VAL 426 CO -0.11 0.23 -0.06 -1.48 0.00 0.00 0.00 175.10 173.68 3i8c s LEU 427 N 1.01 2.43 0.36 3.92 0.05 -1.19 -3.01 118.68 122.23 3i8c s LEU 427 Ca 0.35 -1.07 -0.25 0.00 0.05 0.00 0.00 54.13 53.21 3i8c s LEU 427 Cb -0.17 -1.17 -0.13 0.00 -2.05 0.00 0.00 46.19 42.67 3i8c s LEU 427 CO 0.16 -0.21 0.74 -0.24 -0.55 0.00 0.00 176.35 176.24 3i8c n SER 428 N 4.69 -0.03 -4.14 1.48 2.88 -1.22 -3.74 113.62 113.53 3i8c n SER 428 Ca -0.13 1.03 -0.17 0.00 -1.33 0.00 0.00 58.87 58.28 3i8c n SER 428 Cb 0.45 -1.17 -0.10 0.00 -0.75 0.00 0.00 64.21 62.64 3i8c n SER 428 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 3i8c s PHE 429 N -1.27 1.51 -0.14 0.66 2.19 -0.29 0.85 117.98 121.49 3i8c s PHE 429 Ca 0.62 -1.30 -0.15 0.00 0.33 0.00 0.00 56.93 56.43 3i8c s PHE 429 Cb -0.67 -0.83 -0.17 0.00 -1.31 0.00 0.00 43.02 40.04 3i8c s PHE 429 CO 0.58 -0.47 1.17 0.28 1.83 0.00 0.00 175.22 178.62 3i8c n VAL 430 N -0.49 0.00 -1.00 3.12 0.31 -1.26 -2.23 118.33 116.78 3i8c n VAL 430 Ca 0.01 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 3i8c n VAL 430 Cb 0.66 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 3i8c n VAL 430 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i8c n GLY 431 N 4.52 0.48 1.78 2.92 0.00 -1.26 -5.00 105.19 108.63 3i8c n GLY 431 Ca 0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 3i8c n GLY 431 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i8c n GLN 432 N -2.55 0.63 -3.69 1.61 6.02 -0.95 -2.46 117.38 115.99 3i8c n GLN 432 Ca 0.00 -1.83 -0.14 0.00 -0.01 0.00 0.00 57.00 55.01 3i8c n GLN 432 Cb 0.05 1.10 -0.14 0.00 1.02 0.00 0.00 30.24 32.27 3i8c n GLN 432 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3i8c s THR 433 N -2.44 -0.25 0.19 5.09 2.01 -1.23 -1.14 115.64 117.88 3i8c s THR 433 Ca 0.13 0.26 0.07 0.00 0.31 0.00 0.00 61.69 62.46 3i8c s THR 433 Cb 0.01 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 72.11 3i8c s THR 433 CO 0.09 0.11 0.04 -0.13 -0.69 0.00 0.00 174.62 174.05 3i8c s ARG 434 N 1.98 2.54 0.11 4.92 1.81 -1.25 -4.41 118.95 124.65 3i8c s ARG 434 Ca -0.02 -1.09 0.09 0.00 -1.72 0.00 0.00 55.73 52.99 3i8c s ARG 434 Cb -0.12 -2.41 -0.04 0.00 -0.45 0.00 0.00 34.95 31.94 3i8c s ARG 434 CO -0.07 0.45 -0.20 0.08 -0.68 0.00 0.00 175.30 174.87 3i8c s VAL 435 N -1.84 2.69 -0.48 3.52 1.01 -1.26 -3.19 120.40 120.85 3i8c s VAL 435 Ca 0.29 -1.53 0.03 0.00 0.00 0.00 0.00 61.98 60.78 3i8c s VAL 435 Cb -0.09 -2.21 0.16 0.00 0.00 0.00 0.00 36.38 34.24 3i8c s VAL 435 CO 0.20 0.13 0.35 -0.76 0.00 0.00 0.00 175.10 175.02 3i8c s LEU 436 N -2.03 2.38 0.30 3.92 1.43 -1.17 -3.37 118.68 120.14 3i8c s LEU 436 Ca 0.17 -3.09 -0.29 0.00 -1.03 0.00 0.00 54.13 49.88 3i8c s LEU 436 Cb -0.10 -0.81 -0.10 0.00 0.03 0.00 0.00 46.19 45.20 3i8c s LEU 436 CO 0.08 -0.18 1.32 -0.04 0.23 0.00 0.00 176.35 177.76 3i8c s MET 437 N -0.15 4.36 -0.12 1.70 -1.94 -0.71 -2.22 119.30 120.23 3i8c s MET 437 Ca 0.27 2.19 0.01 0.00 -1.71 0.00 0.00 55.69 56.44 3i8c s MET 437 Cb -0.05 -3.10 -0.01 0.00 2.01 0.00 0.00 34.83 33.67 3i8c s MET 437 CO -0.14 -0.21 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.00 3i8c s LEU 438 N -1.33 2.62 0.00 -0.03 1.43 0.37 -3.25 118.68 118.49 3i8c s LEU 438 Ca 0.51 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3i8c s LEU 438 Cb -0.39 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.25 3i8c s LEU 438 CO 0.49 0.18 0.50 0.59 0.23 0.00 0.00 176.35 178.34 3i8c n ASN 439 N 3.43 1.47 0.00 2.29 5.03 -1.05 -4.85 115.26 121.58 3i8c n ASN 439 Ca -0.18 -1.08 0.00 0.00 0.87 0.00 0.00 54.58 54.19 3i8c n ASN 439 Cb 0.53 -0.27 0.00 0.00 -1.02 0.00 0.00 39.78 39.02 3i8c n ASN 439 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i8c n GLY 440 N 0.67 1.01 0.88 7.41 0.00 -1.26 -4.21 105.19 109.68 3i8c n GLY 440 Ca 0.00 -0.69 0.10 0.00 0.00 0.00 0.00 46.02 45.44 3i8c n GLY 440 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i8c n GLU 441 N 0.00 1.99 -3.76 1.61 -0.00 -1.24 -4.25 120.64 114.99 3i8c n GLU 441 Ca 0.00 -1.84 -0.36 0.00 -0.00 0.00 0.00 57.16 54.96 3i8c n GLU 441 Cb 0.00 -1.41 -0.07 0.00 -0.00 0.00 0.00 31.44 29.96 3i8c n GLU 441 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 3i8c s GLU 442 N -1.64 3.88 -0.09 3.44 2.12 -1.26 -5.05 118.70 120.10 3i8c s GLU 442 Ca 0.27 -0.13 -0.24 0.00 0.36 0.00 0.00 54.97 55.23 3i8c s GLU 442 Cb 0.18 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 31.22 3i8c s GLU 442 CO 0.26 0.50 0.72 0.08 -0.54 0.00 0.00 175.26 176.29 3i8c s VAL 443 N -0.25 5.01 -0.26 3.70 1.01 -1.26 -2.54 120.40 125.82 3i8c s VAL 443 Ca 0.12 1.46 -0.14 0.00 0.00 0.00 0.00 61.98 63.43 3i8c s VAL 443 Cb -0.12 -4.05 0.08 0.00 0.00 0.00 0.00 36.38 32.29 3i8c s VAL 443 CO 0.02 0.20 0.62 -0.70 0.00 0.00 0.00 175.10 175.24 3i8c s GLU 444 N 1.14 0.62 -0.24 2.72 2.12 -1.20 -4.98 118.70 118.88 3i8c s GLU 444 Ca 0.37 1.16 -0.04 0.00 0.36 0.00 0.00 54.97 56.82 3i8c s GLU 444 Cb -0.17 0.19 0.01 0.00 0.26 0.00 0.00 34.13 34.41 3i8c s GLU 444 CO 0.17 -0.16 -0.03 -1.83 -0.54 0.00 0.00 175.26 172.86 3i8c s GLU 445 N 1.76 3.16 0.00 4.30 -1.05 -1.26 -1.74 118.70 123.88 3i8c s GLU 445 Ca -0.09 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 53.96 3i8c s GLU 445 Cb -0.07 -3.05 0.00 0.00 -0.44 0.00 0.00 34.13 30.57 3i8c s GLU 445 CO -0.18 -0.30 0.00 0.25 0.95 0.00 0.00 175.26 175.98 3i8c n THR 446 N 4.77 0.00 -3.07 1.83 -2.24 -1.22 -4.98 114.28 109.37 3i8c n THR 446 Ca -0.17 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.42 3i8c n THR 446 Cb 0.49 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.76 3i8c n THR 446 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3i8c s GLU 447 N 1.05 2.46 0.03 -0.78 -1.05 -1.26 -4.12 118.70 115.03 3i8c s GLU 447 Ca 0.00 -1.54 -0.27 0.00 -0.15 0.00 0.00 54.97 53.01 3i8c s GLU 447 Cb 0.00 -2.65 0.08 0.00 -0.44 0.00 0.00 34.13 31.12 3i8c s GLU 447 CO 0.00 -0.67 0.72 -1.17 0.95 0.00 0.00 175.26 175.09 3i8c s LEU 448 N -4.55 -0.54 0.49 1.83 2.96 -1.26 -5.01 118.68 112.61 3i8c s LEU 448 Ca 0.59 0.26 -0.22 0.00 -0.22 0.00 0.00 54.13 54.54 3i8c s LEU 448 Cb -0.07 2.39 -0.07 0.00 0.50 0.00 0.00 46.19 48.94 3i8c s LEU 448 CO 0.36 -0.72 1.15 -0.04 -1.32 0.00 0.00 176.35 175.78 3i8c s MET 449 N -2.56 3.61 -0.56 1.98 -1.94 -1.26 -3.68 119.30 114.89 3i8c s MET 449 Ca -0.02 1.70 0.00 0.00 -1.71 0.00 0.00 55.69 55.66 3i8c s MET 449 Cb -0.01 -2.25 0.00 0.00 2.01 0.00 0.00 34.83 34.59 3i8c s MET 449 CO -0.04 -0.66 0.00 0.41 -0.01 0.00 0.00 175.02 174.72 3i8c n GLY 450 N 0.32 0.06 2.81 -0.03 0.00 -1.26 -4.87 105.19 102.22 3i8c n GLY 450 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 3i8c n GLY 450 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i8c s PHE 451 N -1.86 1.45 0.30 1.61 0.40 -1.24 -4.52 117.98 114.11 3i8c s PHE 451 Ca 0.00 -1.07 -0.28 0.00 -0.60 0.00 0.00 56.93 54.98 3i8c s PHE 451 Cb 0.00 -1.20 -0.09 0.00 0.51 0.00 0.00 43.02 42.24 3i8c s PHE 451 CO 0.00 -0.63 1.06 0.14 0.70 0.00 0.00 175.22 176.49 3i8c s VAL 452 N 1.72 3.65 -0.10 -0.44 -7.23 -1.26 -4.67 120.40 112.06 3i8c s VAL 452 Ca -0.01 1.58 0.20 0.00 -1.81 0.00 0.00 61.98 61.93 3i8c s VAL 452 Cb -0.17 -3.97 -0.30 0.00 0.56 0.00 0.00 36.38 32.51 3i8c s VAL 452 CO -0.07 0.31 0.30 -0.90 -0.31 0.00 0.00 175.10 174.42 3i8c n ASP 453 N 0.99 0.07 -1.48 4.85 5.68 -1.26 -4.31 116.55 121.09 3i8c n ASP 453 Ca -0.00 0.00 0.02 0.00 -0.50 0.00 0.00 54.79 54.31 3i8c n ASP 453 Cb 0.46 1.55 0.29 0.00 -1.14 0.00 0.00 41.12 42.28 3i8c n ASP 453 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3i8c n ASP 454 N -2.47 4.36 -3.74 -1.12 3.85 -1.26 -3.61 116.55 112.57 3i8c n ASP 454 Ca -0.17 -3.17 -0.18 0.00 -0.71 0.00 0.00 54.79 50.57 3i8c n ASP 454 Cb 0.82 -0.65 -0.17 0.00 -1.35 0.00 0.00 41.12 39.77 3i8c n ASP 454 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 3i8c s GLN 455 N -2.93 0.05 0.26 0.11 -1.52 -1.26 -4.87 119.66 109.49 3i8c s GLN 455 Ca 0.49 0.24 -0.30 0.00 -1.95 0.00 0.00 55.36 53.84 3i8c s GLN 455 Cb 0.40 -0.44 -0.14 0.00 -0.22 0.00 0.00 33.01 32.61 3i8c s GLN 455 CO 0.11 -0.24 1.25 0.94 -0.25 0.00 0.00 175.29 177.10 3i8c n GLN 456 N 4.69 1.76 -3.80 2.91 7.27 -1.03 -3.50 117.38 125.68 3i8c n GLN 456 Ca -0.16 0.62 -0.36 0.00 0.07 0.00 0.00 57.00 57.17 3i8c n GLN 456 Cb 0.50 -2.17 -0.13 0.00 2.41 0.00 0.00 30.24 30.85 3i8c n GLN 456 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 3i8c s THR 457 N -0.54 3.94 -2.44 1.69 2.01 -1.24 -3.18 115.64 115.88 3i8c s THR 457 Ca 0.64 -0.41 0.28 0.00 0.31 0.00 0.00 61.69 62.51 3i8c s THR 457 Cb -0.68 -2.88 0.58 0.00 0.01 0.00 0.00 72.50 69.53 3i8c s THR 457 CO 0.55 0.29 1.78 0.49 -0.69 0.00 0.00 174.62 177.04 3i8c n PHE 458 N 4.87 0.01 -3.61 4.92 3.72 -0.24 -4.16 117.46 122.98 3i8c n PHE 458 Ca -0.16 -0.01 -0.00 0.00 -0.05 0.00 0.00 57.45 57.23 3i8c n PHE 458 Cb 0.50 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.03 3i8c n PHE 458 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3i8c s PHE 459 N -1.99 -0.03 0.00 1.38 5.36 -1.14 -4.72 117.98 116.85 3i8c s PHE 459 Ca 0.38 0.01 0.00 0.00 -0.96 0.00 0.00 56.93 56.36 3i8c s PHE 459 Cb 0.21 0.51 0.00 0.00 -0.34 0.00 0.00 43.02 43.40 3i8c s PHE 459 CO 0.33 -0.07 0.00 0.00 -1.46 0.00 0.00 175.22 174.03 3i8c n GLY 461 N 0.00 0.00 2.71 0.00 0.00 -1.26 -4.49 105.19 102.15 3i8c n GLY 461 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 3i8c n GLY 461 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i8c n ASN 462 N 0.00 -2.00 -4.70 1.61 5.03 -1.19 -4.71 115.26 109.31 3i8c n ASN 462 Ca 0.00 -3.13 -0.42 0.00 0.87 0.00 0.00 54.58 51.90 3i8c n ASN 462 Cb 0.00 1.69 -0.03 0.00 -1.02 0.00 0.00 39.78 40.42 3i8c n ASN 462 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 3i8c s VAL 463 N 0.20 2.77 1.44 2.41 -7.23 -1.26 -4.53 120.40 114.21 3i8c s VAL 463 Ca 0.22 0.35 -0.24 0.00 -1.81 0.00 0.00 61.98 60.50 3i8c s VAL 463 Cb 0.29 -3.23 0.37 0.00 0.56 0.00 0.00 36.38 34.38 3i8c s VAL 463 CO -0.10 0.01 0.93 0.00 -0.31 0.00 0.00 175.10 175.63 3i8c s ALA 464 N 2.23 -0.71 -0.19 1.32 0.00 0.63 -3.73 121.76 121.31 3i8c s ALA 464 Ca 0.75 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 51.82 3i8c s ALA 464 Cb -0.43 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 19.78 3i8c s ALA 464 CO 0.33 -4.65 0.00 0.72 0.00 0.00 0.00 175.76 172.16 3i8c n HIS 465 N -5.69 -0.11 -3.55 0.00 8.25 -1.26 -4.10 115.22 108.76 3i8c n HIS 465 Ca 0.14 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.37 3i8c n HIS 465 Cb 0.61 -1.31 0.05 0.00 1.12 0.00 0.00 29.99 30.45 3i8c n HIS 465 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3i8c n GLN 466 N -1.20 -2.70 -3.77 -0.41 6.02 -1.26 -4.71 117.38 109.35 3i8c n GLN 466 Ca -0.03 0.64 -0.13 0.00 -0.01 0.00 0.00 57.00 57.47 3i8c n GLN 466 Cb 0.52 -4.99 -0.10 0.00 1.02 0.00 0.00 30.24 26.70 3i8c n GLN 466 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 3i8c s GLN 467 N -5.48 0.54 -0.14 -1.09 -2.07 -1.24 -0.05 119.66 110.13 3i8c s GLN 467 Ca 0.33 0.03 -0.03 0.00 -1.82 0.00 0.00 55.36 53.87 3i8c s GLN 467 Cb -0.08 0.24 -0.03 0.00 -1.09 0.00 0.00 33.01 32.05 3i8c s GLN 467 CO 0.81 -0.12 -0.05 -0.51 -1.32 0.00 0.00 175.29 174.09 3i8c s LEU 468 N -0.76 3.18 -0.06 2.60 1.43 0.16 -4.10 118.68 121.12 3i8c s LEU 468 Ca -0.08 -0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 52.83 3i8c s LEU 468 Cb -0.04 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 3i8c s LEU 468 CO 0.03 0.19 0.13 -0.51 0.23 0.00 0.00 176.35 176.42 3i8c s ILE 469 N 0.23 5.28 -0.41 -0.59 -1.16 -1.26 -1.61 121.20 121.69 3i8c s ILE 469 Ca -0.03 -0.03 0.02 0.00 -0.51 0.00 0.00 60.65 60.09 3i8c s ILE 469 Cb -0.14 -3.37 0.15 0.00 0.61 0.00 0.00 42.46 39.71 3i8c s ILE 469 CO 0.03 0.48 0.26 -1.58 -2.81 0.00 0.00 174.94 171.33 3i8c s GLN 470 N -1.42 0.91 0.16 3.50 0.74 -1.26 -4.34 119.66 117.97 3i8c s GLN 470 Ca 0.20 -1.78 -0.31 0.00 0.05 0.00 0.00 55.36 53.52 3i8c s GLN 470 Cb -0.12 -1.69 -0.09 0.00 1.10 0.00 0.00 33.01 32.20 3i8c s GLN 470 CO 0.10 -1.24 1.47 0.42 -0.55 0.00 0.00 175.29 175.48 3i8c s ILE 471 N 0.52 2.91 0.24 -2.34 1.01 -1.21 -2.58 121.20 119.75 3i8c s ILE 471 Ca 0.22 0.68 0.01 0.00 0.00 0.00 0.00 60.65 61.56 3i8c s ILE 471 Cb -0.16 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 3i8c s ILE 471 CO -0.05 0.06 0.05 1.07 0.00 0.00 0.00 174.94 176.08 3i8c n THR 472 N 3.60 0.00 0.13 2.92 5.66 -1.25 -1.08 114.28 124.27 3i8c n THR 472 Ca 0.11 -1.29 -0.13 0.00 -3.05 0.00 0.00 64.05 59.70 3i8c n THR 472 Cb 0.40 0.39 -0.07 0.00 -1.55 0.00 0.00 70.33 69.51 3i8c n THR 472 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3i8c h SER 473 N 0.81 -1.13 0.00 1.09 0.02 -1.84 -3.38 113.55 109.13 3i8c h SER 473 Ca -0.19 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3i8c h SER 473 Cb 0.67 0.40 0.00 0.00 0.14 0.00 0.00 62.40 63.61 3i8c h SER 473 CO 0.31 -0.44 0.00 0.00 -1.14 0.00 0.00 176.83 175.56 3i8c n ALA 474 N -2.76 0.00 -3.55 3.77 0.00 -1.26 -0.33 120.51 116.38 3i8c n ALA 474 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.11 3i8c n ALA 474 Cb 0.32 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.60 3i8c n ALA 474 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3i8c s SER 475 N -1.87 2.08 -0.52 0.00 1.04 -1.26 -4.11 113.70 109.07 3i8c s SER 475 Ca 0.00 -0.35 -0.26 0.00 0.48 0.00 0.00 55.95 55.82 3i8c s SER 475 Cb 0.00 -0.93 -0.07 0.00 0.10 0.00 0.00 66.02 65.12 3i8c s SER 475 CO 0.00 0.02 2.39 0.54 0.98 0.00 0.00 173.24 177.17 3i8c s VAL 476 N 0.85 3.02 0.98 5.02 0.11 -1.22 -3.78 120.40 125.38 3i8c s VAL 476 Ca -0.10 0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 58.79 3i8c s VAL 476 Cb -0.15 -3.04 0.22 0.00 -1.53 0.00 0.00 36.38 31.88 3i8c s VAL 476 CO 0.01 -0.04 1.34 -0.13 -3.33 0.00 0.00 175.10 172.95 3i8c s ARG 477 N 8.29 0.41 -0.17 1.54 0.52 -1.07 -1.69 118.95 126.77 3i8c s ARG 477 Ca 0.96 -0.59 -0.15 0.00 -0.52 0.00 0.00 55.73 55.43 3i8c s ARG 477 Cb -0.17 -1.86 0.05 0.00 0.52 0.00 0.00 34.95 33.50 3i8c s ARG 477 CO 0.24 -2.54 0.46 -1.17 0.02 0.00 0.00 175.30 172.31 3i8c s LEU 478 N -5.91 0.19 0.04 2.53 2.96 -1.04 -4.11 118.68 113.32 3i8c s LEU 478 Ca 0.76 0.93 -0.02 0.00 -0.22 0.00 0.00 54.13 55.58 3i8c s LEU 478 Cb -0.02 1.57 -0.02 0.00 0.50 0.00 0.00 46.19 48.21 3i8c s LEU 478 CO 0.53 -0.16 0.01 -0.69 -1.32 0.00 0.00 176.35 174.72 3i8c s VAL 479 N 0.40 0.15 0.48 1.68 1.01 -0.63 -3.14 120.40 120.35 3i8c s VAL 479 Ca -0.01 -1.26 0.06 0.00 0.00 0.00 0.00 61.98 60.77 3i8c s VAL 479 Cb -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.48 3i8c s VAL 479 CO -0.01 -0.69 0.32 -0.44 0.00 0.00 0.00 175.10 174.28 3i8c s SER 480 N -2.14 4.65 -0.22 3.32 0.01 -1.26 0.38 113.70 118.44 3i8c s SER 480 Ca -0.05 -1.11 0.12 0.00 1.31 0.00 0.00 55.95 56.22 3i8c s SER 480 Cb -0.01 -0.02 -0.22 0.00 0.21 0.00 0.00 66.02 65.97 3i8c s SER 480 CO -0.05 -0.85 -0.04 0.00 0.41 0.00 0.00 173.24 172.71 3i8c n GLN 481 N -1.56 0.68 0.00 12.44 1.13 0.93 -2.85 117.38 128.15 3i8c n GLN 481 Ca -0.01 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 3i8c n GLN 481 Cb 0.64 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 29.47 3i8c n GLN 481 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3i8c n GLU 482 N -2.94 0.00 0.29 -1.09 -0.58 -1.26 -4.61 120.64 110.46 3i8c n GLU 482 Ca -0.38 0.45 -0.16 0.00 -0.42 0.00 0.00 57.16 56.65 3i8c n GLU 482 Cb 1.10 -0.95 -0.09 0.00 -0.57 0.00 0.00 31.44 30.93 3i8c n GLU 482 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3i8c h PRO 483 N 0.00 -0.67 -5.23 3.49 0.11 -1.91 -3.48 132.00 124.31 3i8c h PRO 483 Ca 0.00 0.05 -0.19 0.00 0.11 0.00 0.00 66.00 65.97 3i8c h PRO 483 Cb 0.00 0.15 0.15 0.00 0.11 0.00 0.00 31.00 31.41 3i8c h PRO 483 CO 0.00 -0.44 -0.64 1.17 -0.21 0.00 0.00 178.00 177.88 3i8c n LYS 484 N -5.38 -1.90 0.00 1.05 3.00 -1.13 -4.85 118.16 108.94 3i8c n LYS 484 Ca -0.12 0.91 0.00 0.00 -0.00 0.00 0.00 58.31 59.10 3i8c n LYS 484 Cb 0.29 -5.47 0.00 0.00 0.00 0.00 0.00 35.03 29.85 3i8c n LYS 484 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i8c n ALA 485 N -2.83 0.00 -1.92 3.14 0.00 -1.26 -4.76 120.51 112.88 3i8c n ALA 485 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.02 3i8c n ALA 485 Cb 0.59 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.08 3i8c n ALA 485 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i8c n LEU 486 N 0.00 7.05 -0.31 0.00 7.94 -1.26 -3.96 117.00 126.45 3i8c n LEU 486 Ca 0.00 -4.81 0.11 0.00 -1.11 0.00 0.00 56.01 50.20 3i8c n LEU 486 Cb 0.00 -0.94 0.22 0.00 0.53 0.00 0.00 43.42 43.23 3i8c n LEU 486 CO 0.00 1.80 0.67 0.52 -1.11 0.00 0.00 177.39 179.27 3i8c n VAL 487 N -0.59 -0.37 -3.88 1.96 0.31 -1.19 -4.75 118.33 109.82 3i8c n VAL 487 Ca 0.53 1.98 -0.10 0.00 -0.01 0.00 0.00 64.34 66.73 3i8c n VAL 487 Cb 0.39 -2.84 0.01 0.00 -0.91 0.00 0.00 33.84 30.48 3i8c n VAL 487 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 3i8c s SER 488 N -5.07 0.22 -0.30 4.52 0.15 -1.25 -4.73 113.70 107.24 3i8c s SER 488 Ca -0.12 -1.20 -0.11 0.00 0.70 0.00 0.00 55.95 55.22 3i8c s SER 488 Cb 0.25 0.80 0.18 0.00 -1.71 0.00 0.00 66.02 65.54 3i8c s SER 488 CO 0.69 -1.57 0.96 -0.70 1.20 0.00 0.00 173.24 173.81 3i8c s GLU 489 N -2.59 0.27 0.43 5.44 2.12 -1.26 -2.51 118.70 120.60 3i8c s GLU 489 Ca 0.19 0.51 -0.14 0.00 0.36 0.00 0.00 54.97 55.88 3i8c s GLU 489 Cb -0.04 0.28 -0.08 0.00 0.26 0.00 0.00 34.13 34.56 3i8c s GLU 489 CO 0.13 -0.27 0.85 -0.46 -0.54 0.00 0.00 175.26 174.97 3i8c s TRP 490 N 2.88 3.43 -0.08 5.30 -0.00 -0.68 -5.01 118.94 124.77 3i8c s TRP 490 Ca 0.03 1.26 -0.15 0.00 -0.00 0.00 0.00 56.10 57.25 3i8c s TRP 490 Cb -0.11 -2.61 0.03 0.00 -0.00 0.00 0.00 33.47 30.79 3i8c s TRP 490 CO -0.14 -0.15 0.37 0.21 -0.00 0.00 0.00 176.95 177.24 3i8c s LYS 491 N -3.69 0.57 -0.10 5.86 2.47 -1.26 -3.41 119.74 120.18 3i8c s LYS 491 Ca 0.55 0.21 -0.30 0.00 -1.56 0.00 0.00 55.97 54.88 3i8c s LYS 491 Cb -0.10 0.27 -0.03 0.00 -1.46 0.00 0.00 37.83 36.50 3i8c s LYS 491 CO 0.27 -0.12 1.42 -2.00 0.16 0.00 0.00 175.35 175.08 3i8c s GLU 492 N -0.52 4.22 0.00 4.03 -6.30 -1.26 -4.92 118.70 113.94 3i8c s GLU 492 Ca -0.06 1.89 0.00 0.00 -2.50 0.00 0.00 54.97 54.30 3i8c s GLU 492 Cb -0.04 -3.83 0.00 0.00 0.00 0.00 0.00 34.13 30.27 3i8c s GLU 492 CO 0.03 -0.74 0.27 -2.30 0.02 0.00 0.00 175.26 172.53 3i8c n PRO 493 N 6.66 0.00 0.00 4.30 -0.01 -1.26 0.51 135.00 145.19 3i8c n PRO 493 Ca 0.15 0.27 0.00 0.00 -0.01 0.00 0.00 63.50 63.91 3i8c n PRO 493 Cb 0.44 -0.45 0.03 0.00 -0.01 0.00 0.00 33.50 33.50 3i8c n PRO 493 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 175.50 176.53 3i8c n GLN 494 N -1.45 0.44 -2.29 -0.52 1.13 -1.26 -4.85 117.38 108.58 3i8c n GLN 494 Ca 0.00 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.03 3i8c n GLN 494 Cb 0.00 -1.03 0.01 0.00 0.11 0.00 0.00 30.24 29.33 3i8c n GLN 494 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i8c n ALA 495 N -0.53 -1.81 -3.32 -1.58 0.00 0.18 -5.08 120.51 108.38 3i8c n ALA 495 Ca 0.01 0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.28 3i8c n ALA 495 Cb 0.00 -1.55 -0.16 0.00 0.00 0.00 0.00 19.45 17.75 3i8c n ALA 495 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i8c s LYS 496 N -3.23 0.71 0.36 0.00 1.02 -1.26 -5.07 119.74 112.26 3i8c s LYS 496 Ca 0.08 -0.15 -0.27 0.00 0.02 0.00 0.00 55.97 55.65 3i8c s LYS 496 Cb -0.01 -0.71 -0.12 0.00 -0.52 0.00 0.00 37.83 36.47 3i8c s LYS 496 CO 0.36 -0.00 1.25 0.09 -0.92 0.00 0.00 175.35 176.13 3i8c n ASN 497 N 3.64 2.52 -4.75 2.83 3.02 -1.26 -4.61 115.26 116.64 3i8c n ASN 497 Ca -0.21 1.18 -0.41 0.00 -0.03 0.00 0.00 54.58 55.10 3i8c n ASN 497 Cb 0.53 -1.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.21 3i8c n ASN 497 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i8c s ILE 498 N -1.12 2.93 -0.21 2.41 1.01 0.55 -4.66 121.20 122.11 3i8c s ILE 498 Ca 0.57 0.81 -0.10 0.00 0.00 0.00 0.00 60.65 61.93 3i8c s ILE 498 Cb -0.57 -3.52 -0.19 0.00 0.01 0.00 0.00 42.46 38.19 3i8c s ILE 498 CO 0.61 0.14 0.05 -1.54 0.00 0.00 0.00 174.94 174.20 3i8c n SER 499 N 2.04 1.99 -3.60 3.58 3.41 0.93 -4.75 113.62 117.22 3i8c n SER 499 Ca 0.05 0.22 -0.28 0.00 -0.26 0.00 0.00 58.87 58.59 3i8c n SER 499 Cb 0.42 -0.78 -0.16 0.00 -0.26 0.00 0.00 64.21 63.42 3i8c n SER 499 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3i8c s VAL 500 N -2.49 0.06 0.75 -3.33 1.01 -1.18 -5.01 120.40 110.22 3i8c s VAL 500 Ca -0.30 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 3i8c s VAL 500 Cb 0.09 -0.89 0.05 0.00 0.00 0.00 0.00 36.38 35.62 3i8c s VAL 500 CO 0.63 -0.51 1.12 0.00 0.00 0.00 0.00 175.10 176.34 3i8c s ALA 501 N 2.05 2.81 0.00 5.51 0.00 -1.26 -3.00 121.76 127.86 3i8c s ALA 501 Ca 0.06 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.46 3i8c s ALA 501 Cb -0.16 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.01 3i8c s ALA 501 CO -0.23 -1.41 0.00 -1.13 0.00 0.00 0.00 175.76 172.99 3i8c n SER 502 N -3.14 0.00 0.00 0.00 3.41 -1.03 -4.80 113.62 108.06 3i8c n SER 502 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3i8c n SER 502 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3i8c n SER 502 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i8c n ASN 504 N 0.00 0.00 0.00 0.00 0.23 -1.09 -4.90 115.26 109.50 3i8c n ASN 504 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3i8c n ASN 504 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3i8c n ASN 504 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3i8c n SER 505 N 0.00 0.67 0.00 0.53 7.64 -1.26 -3.15 113.62 118.05 3i8c n SER 505 Ca 0.00 -1.10 0.00 0.00 1.01 0.00 0.00 58.87 58.78 3i8c n SER 505 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3i8c n SER 505 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3i8c n SER 506 N -0.05 0.00 -4.82 6.43 7.64 -1.26 -0.27 113.62 121.29 3i8c n SER 506 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 3i8c n SER 506 Cb 0.15 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.30 3i8c n SER 506 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 3i8c s GLN 507 N -1.00 2.98 -0.06 1.43 2.00 -1.26 -4.54 119.66 119.22 3i8c s GLN 507 Ca 0.00 -0.86 -0.04 0.00 -2.00 0.00 0.00 55.36 52.46 3i8c s GLN 507 Cb 0.00 -2.68 0.02 0.00 0.80 0.00 0.00 33.01 31.15 3i8c s GLN 507 CO 0.00 0.48 0.14 0.08 -0.50 0.00 0.00 175.29 175.49 3i8c s VAL 508 N -1.80 -0.02 -0.10 1.34 1.01 -1.19 -2.68 120.40 116.96 3i8c s VAL 508 Ca 0.32 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.33 3i8c s VAL 508 Cb -0.10 -0.22 0.05 0.00 0.00 0.00 0.00 36.38 36.11 3i8c s VAL 508 CO 0.24 0.03 0.22 -0.69 0.00 0.00 0.00 175.10 174.91 3i8c s VAL 509 N 0.54 -0.17 0.03 2.92 1.01 -0.60 -3.17 120.40 120.96 3i8c s VAL 509 Ca -0.04 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.16 3i8c s VAL 509 Cb -0.05 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.97 3i8c s VAL 509 CO -0.03 0.09 0.02 1.33 0.00 0.00 0.00 175.10 176.51 3i8c n VAL 510 N 4.66 0.00 -3.53 2.92 0.24 -1.26 -2.46 118.33 118.91 3i8c n VAL 510 Ca -0.18 -0.11 -0.16 0.00 -2.04 0.00 0.00 64.34 61.84 3i8c n VAL 510 Cb 0.51 -0.37 -0.06 0.00 -1.47 0.00 0.00 33.84 32.46 3i8c n VAL 510 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i8c s ALA 511 N -2.04 -1.64 -0.06 2.33 0.00 -1.16 -4.14 121.76 115.04 3i8c s ALA 511 Ca 0.01 1.07 0.13 0.00 0.00 0.00 0.00 51.96 53.17 3i8c s ALA 511 Cb -0.00 0.17 -0.19 0.00 0.00 0.00 0.00 23.12 23.10 3i8c s ALA 511 CO 0.01 -0.43 0.20 0.28 0.00 0.00 0.00 175.76 175.81 3i8c n VAL 512 N 0.70 0.33 0.00 0.00 0.31 -0.83 -0.05 118.33 118.79 3i8c n VAL 512 Ca -0.19 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 3i8c n VAL 512 Cb 0.58 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 3i8c n VAL 512 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i8c n GLY 513 N 1.92 -2.05 0.00 2.92 0.00 -1.26 -4.51 105.19 102.21 3i8c n GLY 513 Ca -0.09 0.77 0.05 0.00 0.00 0.00 0.00 46.02 46.75 3i8c n GLY 513 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8c n ARG 514 N 0.00 2.38 -2.22 1.61 1.74 -1.26 0.82 116.66 119.72 3i8c n ARG 514 Ca 0.00 -0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.63 3i8c n ARG 514 Cb 0.00 -1.10 -0.03 0.00 -1.02 0.00 0.00 32.46 30.31 3i8c n ARG 514 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i8c s ALA 515 N -2.29 3.55 -0.18 7.54 0.00 -1.26 -1.12 121.76 128.00 3i8c s ALA 515 Ca 0.02 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.04 3i8c s ALA 515 Cb 0.08 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.72 3i8c s ALA 515 CO 0.47 -0.58 -0.09 -0.51 0.00 0.00 0.00 175.76 175.05 3i8c s LEU 516 N 1.10 2.00 0.00 0.00 1.43 0.33 -1.96 118.68 121.57 3i8c s LEU 516 Ca 0.63 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3i8c s LEU 516 Cb -0.35 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.73 3i8c s LEU 516 CO 0.30 -0.14 0.00 -1.22 0.23 0.00 0.00 176.35 175.52 3i8c n TYR 517 N 4.75 0.00 0.00 0.29 4.02 -1.26 -1.16 117.16 123.80 3i8c n TYR 517 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.75 3i8c n TYR 517 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.79 3i8c n TYR 517 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 3i8c n TYR 518 N 0.00 0.00 -4.41 -0.72 -0.00 -1.25 -4.69 117.16 106.09 3i8c n TYR 518 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 57.70 3i8c n TYR 518 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.24 3i8c n TYR 518 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.86 176.38 3i8c s LEU 519 N 0.00 2.11 -0.01 2.98 2.34 -1.19 -0.37 118.68 124.54 3i8c s LEU 519 Ca 0.00 -1.34 0.02 0.00 0.06 0.00 0.00 54.13 52.86 3i8c s LEU 519 Cb 0.00 -0.31 0.00 0.00 -0.56 0.00 0.00 46.19 45.32 3i8c s LEU 519 CO 0.00 -0.60 -0.05 -1.10 -1.06 0.00 0.00 176.35 173.54 3i8c s GLN 520 N -3.90 0.49 -1.50 1.48 -0.21 0.21 -3.15 119.66 113.07 3i8c s GLN 520 Ca 0.35 -0.17 -0.09 0.00 0.02 0.00 0.00 55.36 55.47 3i8c s GLN 520 Cb 0.08 -0.49 0.00 0.00 1.00 0.00 0.00 33.01 33.60 3i8c s GLN 520 CO 0.14 0.08 2.64 -0.89 -2.12 0.00 0.00 175.29 175.15 3i8c n ILE 521 N 3.14 4.47 -2.02 1.08 2.08 -1.26 -0.79 119.36 126.05 3i8c n ILE 521 Ca -0.15 -3.24 -0.33 0.00 0.56 0.00 0.00 62.75 59.59 3i8c n ILE 521 Cb 0.57 -2.45 0.02 0.00 -0.75 0.00 0.00 39.64 37.03 3i8c n ILE 521 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 3i8c s HIS 522 N 1.26 2.77 -0.47 1.39 3.76 0.36 -4.47 115.29 119.90 3i8c s HIS 522 Ca 0.61 1.54 -0.16 0.00 -0.15 0.00 0.00 55.06 56.90 3i8c s HIS 522 Cb 0.17 -3.14 -0.11 0.00 1.11 0.00 0.00 32.58 30.61 3i8c s HIS 522 CO -0.07 -1.42 1.30 -2.30 -0.85 0.00 0.00 174.74 171.40 3i8c n PRO 523 N -1.92 0.00 -2.35 8.40 -0.02 -1.26 0.31 135.00 138.16 3i8c n PRO 523 Ca 0.10 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.43 3i8c n PRO 523 Cb 0.52 -0.74 -0.00 0.00 -0.02 0.00 0.00 33.50 33.26 3i8c n PRO 523 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i8c n GLN 524 N 4.14 -1.48 -3.56 -0.52 6.02 -1.26 -4.98 117.38 115.74 3i8c n GLN 524 Ca 0.32 0.71 -0.08 0.00 -0.01 0.00 0.00 57.00 57.94 3i8c n GLN 524 Cb 0.01 -5.04 -0.03 0.00 1.02 0.00 0.00 30.24 26.19 3i8c n GLN 524 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3i8c s GLU 525 N -4.82 0.59 -0.64 -1.09 4.04 0.15 -4.56 118.70 112.37 3i8c s GLU 525 Ca 0.03 -0.06 -0.16 0.00 0.04 0.00 0.00 54.97 54.82 3i8c s GLU 525 Cb -0.01 0.27 0.16 0.00 0.02 0.00 0.00 34.13 34.57 3i8c s GLU 525 CO 0.03 -0.23 0.60 -0.51 -1.84 0.00 0.00 175.26 173.32 3i8c s LEU 526 N -1.77 6.31 -0.12 1.83 1.43 -1.26 -0.48 118.68 124.62 3i8c s LEU 526 Ca 0.03 -2.06 -0.20 0.00 -1.03 0.00 0.00 54.13 50.88 3i8c s LEU 526 Cb -0.01 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 3i8c s LEU 526 CO -0.04 -0.79 0.54 -0.60 0.23 0.00 0.00 176.35 175.69 3i8c s ARG 527 N 1.23 4.34 0.63 1.70 3.52 0.03 -4.86 118.95 125.54 3i8c s ARG 527 Ca 0.09 0.55 -0.09 0.00 -0.13 0.00 0.00 55.73 56.15 3i8c s ARG 527 Cb -0.23 -3.46 0.00 0.00 -1.56 0.00 0.00 34.95 29.70 3i8c s ARG 527 CO -0.01 0.09 0.99 -1.14 -0.81 0.00 0.00 175.30 174.42 3i8c s GLN 528 N 0.83 3.02 0.00 5.12 0.74 -1.26 -0.62 119.66 127.49 3i8c s GLN 528 Ca 0.29 0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.99 3i8c s GLN 528 Cb -0.16 -2.15 0.00 0.00 1.10 0.00 0.00 33.01 31.80 3i8c s GLN 528 CO 0.12 -0.79 0.00 -0.89 -0.55 0.00 0.00 175.29 173.18 3i8c n ILE 529 N -2.75 0.00 -1.30 -2.34 5.41 0.50 -4.89 119.36 113.99 3i8c n ILE 529 Ca 0.05 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.50 3i8c n ILE 529 Cb 0.57 0.00 0.23 0.00 -0.71 0.00 0.00 39.64 39.73 3i8c n ILE 529 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3i8c s SER 530 N 1.01 1.39 0.05 4.38 0.01 -1.25 -4.86 113.70 114.43 3i8c s SER 530 Ca 0.00 0.49 -0.23 0.00 1.31 0.00 0.00 55.95 57.52 3i8c s SER 530 Cb 0.00 -0.65 0.06 0.00 0.21 0.00 0.00 66.02 65.64 3i8c s SER 530 CO 0.00 -3.82 0.55 -2.28 0.41 0.00 0.00 173.24 168.10 3i8c s HIS 531 N -3.25 -0.47 -0.15 2.43 2.46 -1.26 -3.89 115.29 111.17 3i8c s HIS 531 Ca 0.72 0.54 -0.30 0.00 0.47 0.00 0.00 55.06 56.49 3i8c s HIS 531 Cb -0.07 0.38 0.13 0.00 -0.13 0.00 0.00 32.58 32.88 3i8c s HIS 531 CO 0.55 -0.66 1.03 0.99 -2.47 0.00 0.00 174.74 174.18 3i8c s THR 532 N -2.45 0.00 0.24 0.89 2.01 -0.31 -4.99 115.64 111.03 3i8c s THR 532 Ca -0.05 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.03 3i8c s THR 532 Cb -0.01 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.46 3i8c s THR 532 CO -0.02 0.00 0.09 -0.70 -0.69 0.00 0.00 174.62 173.30 3i8c s GLU 533 N -1.47 2.61 0.07 4.92 2.12 -1.26 0.12 118.70 125.81 3i8c s GLU 533 Ca 0.01 -1.20 0.07 0.00 0.36 0.00 0.00 54.97 54.21 3i8c s GLU 533 Cb -0.01 -2.38 -0.03 0.00 0.26 0.00 0.00 34.13 31.98 3i8c s GLU 533 CO -0.01 0.40 -0.19 -1.64 -0.54 0.00 0.00 175.26 173.27 3i8c s MET 534 N -3.64 1.18 0.05 4.30 -1.94 -0.27 -4.93 119.30 114.04 3i8c s MET 534 Ca 0.32 -1.00 -0.10 0.00 -1.71 0.00 0.00 55.69 53.20 3i8c s MET 534 Cb -0.08 -1.32 -0.02 0.00 2.01 0.00 0.00 34.83 35.42 3i8c s MET 534 CO 0.22 0.32 0.57 0.39 -0.01 0.00 0.00 175.02 176.52 3i8c n GLU 535 N 1.53 -0.14 -4.44 2.03 -0.58 -1.26 -4.70 120.64 113.09 3i8c n GLU 535 Ca -0.18 0.56 -0.22 0.00 -0.42 0.00 0.00 57.16 56.90 3i8c n GLU 535 Cb 0.54 -0.83 -0.09 0.00 -0.57 0.00 0.00 31.44 30.48 3i8c n GLU 535 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3i8c s HIS 536 N -4.70 1.76 0.10 -0.32 3.76 -1.26 -5.07 115.29 109.57 3i8c s HIS 536 Ca -0.04 -1.22 -0.36 0.00 -0.15 0.00 0.00 55.06 53.29 3i8c s HIS 536 Cb 0.03 -1.09 -0.16 0.00 1.11 0.00 0.00 32.58 32.47 3i8c s HIS 536 CO 0.19 -0.29 1.36 0.39 -0.85 0.00 0.00 174.74 175.55 3i8c n GLU 537 N -0.74 1.29 -2.35 1.40 1.02 -1.26 -4.42 120.64 115.59 3i8c n GLU 537 Ca -0.03 0.47 -0.43 0.00 -0.02 0.00 0.00 57.16 57.15 3i8c n GLU 537 Cb 0.65 -2.12 -0.02 0.00 -0.02 0.00 0.00 31.44 29.93 3i8c n GLU 537 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3i8c s VAL 538 N 0.49 4.04 -0.07 2.62 1.01 0.24 -1.66 120.40 127.07 3i8c s VAL 538 Ca 0.83 1.18 -0.23 0.00 0.00 0.00 0.00 61.98 63.76 3i8c s VAL 538 Cb -0.91 -4.03 -0.30 0.00 0.00 0.00 0.00 36.38 31.14 3i8c s VAL 538 CO 0.46 -0.41 0.84 0.00 0.00 0.00 0.00 175.10 175.99 3i8c h ALA 539 N 9.56 -0.05 -2.85 5.51 0.00 0.27 -3.47 119.26 128.23 3i8c h ALA 539 Ca -0.28 -0.69 0.02 0.00 0.00 0.00 0.00 54.91 53.96 3i8c h ALA 539 Cb 1.11 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.90 3i8c h ALA 539 CO 1.02 0.34 0.27 0.00 0.00 0.00 0.00 179.25 180.88 3i8c s LEU 541 N -2.72 2.28 -0.04 0.00 1.43 -1.26 -0.93 118.68 117.43 3i8c s LEU 541 Ca 0.03 -0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 52.51 3i8c s LEU 541 Cb -0.01 0.13 0.03 0.00 0.03 0.00 0.00 46.19 46.37 3i8c s LEU 541 CO -0.10 -0.37 0.08 -0.62 0.23 0.00 0.00 176.35 175.57 3i8c s ASP 542 N -1.77 0.29 -0.02 2.29 2.15 -1.21 -4.84 116.67 113.56 3i8c s ASP 542 Ca -0.11 0.15 0.03 0.00 0.43 0.00 0.00 52.55 53.05 3i8c s ASP 542 Cb -0.06 0.02 -0.00 0.00 -0.30 0.00 0.00 42.92 42.58 3i8c s ASP 542 CO -0.03 -0.17 -0.12 0.27 -0.17 0.00 0.00 175.17 174.95 3i8c s ILE 543 N 1.43 0.98 -0.29 4.11 -5.25 -1.26 -4.39 121.20 116.53 3i8c s ILE 543 Ca -0.05 -0.49 -0.16 0.00 -0.99 0.00 0.00 60.65 58.96 3i8c s ILE 543 Cb -0.12 -0.85 0.14 0.00 2.95 0.00 0.00 42.46 44.58 3i8c s ILE 543 CO -0.04 0.29 0.92 -0.89 -1.79 0.00 0.00 174.94 173.43 3i8c s THR 544 N -0.01 -0.13 -0.04 8.37 2.01 -1.26 -4.46 115.64 120.12 3i8c s THR 544 Ca -0.00 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 3i8c s THR 544 Cb -0.08 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.38 3i8c s THR 544 CO 0.00 0.00 1.55 -2.16 -0.69 0.00 0.00 174.62 173.33 3i8c s PRO 545 N 1.65 4.21 0.00 4.92 0.04 -1.26 -4.90 135.00 139.65 3i8c s PRO 545 Ca -0.08 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.06 3i8c s PRO 545 Cb -0.05 -3.83 0.00 0.00 0.04 0.00 0.00 34.50 30.67 3i8c s PRO 545 CO -0.16 -0.76 0.00 1.28 0.04 0.00 0.00 177.00 177.40 3i8c n LEU 546 N 6.52 0.00 -0.06 -3.56 4.77 -1.26 -4.82 117.00 118.58 3i8c n LEU 546 Ca 0.16 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.08 3i8c n LEU 546 Cb 0.43 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 3i8c n LEU 546 CO 0.61 0.00 -0.00 1.23 -1.33 0.00 0.00 177.39 177.89 3i8c h GLY 547 N 0.00 0.00 -2.71 -0.72 0.00 -2.02 -3.40 103.07 94.22 3i8c h GLY 547 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i8c h GLY 547 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 3i8c n ASP 548 N -4.68 4.12 -3.67 0.19 5.75 -1.26 -4.83 116.55 112.17 3i8c n ASP 548 Ca -0.06 -2.34 -0.13 0.00 -0.01 0.00 0.00 54.79 52.24 3i8c n ASP 548 Cb 0.22 -0.53 -0.13 0.00 -1.03 0.00 0.00 41.12 39.66 3i8c n ASP 548 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3i8c s SER 549 N -0.85 0.19 -0.27 -1.12 1.04 -1.26 -5.13 113.70 106.30 3i8c s SER 549 Ca 0.44 0.65 -0.23 0.00 0.48 0.00 0.00 55.95 57.29 3i8c s SER 549 Cb 0.28 0.76 -0.01 0.00 0.10 0.00 0.00 66.02 67.16 3i8c s SER 549 CO 0.22 -0.23 0.77 0.20 0.98 0.00 0.00 173.24 175.18 3i8c s ASN 550 N 2.31 6.71 0.00 7.02 0.01 -1.26 -4.07 114.94 125.66 3i8c s ASN 550 Ca -0.00 0.83 0.00 0.00 -0.71 0.00 0.00 52.86 52.98 3i8c s ASN 550 Cb -0.12 -2.40 0.00 0.00 0.41 0.00 0.00 41.25 39.14 3i8c s ASN 550 CO -0.09 -0.52 0.00 0.61 -1.51 0.00 0.00 177.10 175.59 3i8c n GLY 551 N 4.00 1.13 3.62 0.66 0.00 -1.26 -4.85 105.19 108.49 3i8c n GLY 551 Ca 0.03 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3i8c n GLY 551 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i8c s LEU 552 N 0.00 3.83 -0.23 0.99 2.96 -1.26 -4.06 118.68 120.90 3i8c s LEU 552 Ca 0.00 1.55 -0.09 0.00 -0.22 0.00 0.00 54.13 55.37 3i8c s LEU 552 Cb 0.00 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 3i8c s LEU 552 CO 0.00 -1.33 0.12 -0.55 -1.32 0.00 0.00 176.35 173.27 3i8c s SER 553 N 4.47 5.78 0.00 3.68 0.15 -1.26 -4.79 113.70 121.73 3i8c s SER 553 Ca 0.72 0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.40 3i8c s SER 553 Cb -0.24 -2.03 0.00 0.00 -1.71 0.00 0.00 66.02 62.04 3i8c s SER 553 CO 0.30 0.06 0.00 -2.65 1.20 0.00 0.00 173.24 172.15 3i8c n PRO 554 N 4.30 2.86 -0.83 5.44 -0.02 -1.26 -4.86 135.00 140.63 3i8c n PRO 554 Ca -0.16 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.02 3i8c n PRO 554 Cb 0.52 0.00 0.25 0.00 -0.02 0.00 0.00 33.50 34.25 3i8c n PRO 554 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3i8c s LEU 555 N 0.00 0.16 0.33 2.45 2.34 -1.26 -4.43 118.68 118.27 3i8c s LEU 555 Ca 0.00 0.77 -0.06 0.00 0.06 0.00 0.00 54.13 54.90 3i8c s LEU 555 Cb 0.00 -2.44 0.01 0.00 -0.56 0.00 0.00 46.19 43.20 3i8c s LEU 555 CO 0.00 -4.49 0.51 0.00 -1.06 0.00 0.00 176.35 171.31 3i8c s ALA 557 N -3.16 -0.54 -0.02 0.00 0.00 -1.26 0.50 121.76 117.28 3i8c s ALA 557 Ca 0.27 0.17 -0.17 0.00 0.00 0.00 0.00 51.96 52.24 3i8c s ALA 557 Cb -0.01 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.15 3i8c s ALA 557 CO 0.17 -0.21 0.36 -1.50 0.00 0.00 0.00 175.76 174.57 3i8c s ILE 558 N -1.10 0.05 -0.13 0.00 2.07 -1.03 -3.30 121.20 117.76 3i8c s ILE 558 Ca -0.12 -0.40 0.01 0.00 -1.41 0.00 0.00 60.65 58.73 3i8c s ILE 558 Cb -0.06 -0.66 -0.01 0.00 0.13 0.00 0.00 42.46 41.87 3i8c s ILE 558 CO 0.02 -0.22 -0.16 -0.83 -1.91 0.00 0.00 174.94 171.84 3i8c s GLY 559 N -1.26 1.47 0.38 1.50 0.00 -0.11 -2.49 107.32 106.82 3i8c s GLY 559 Ca -0.13 -0.94 0.05 0.00 0.00 0.00 0.00 44.72 43.70 3i8c s GLY 559 CO 0.05 -0.18 0.53 1.04 0.00 0.00 0.00 173.10 174.54 3i8c n LEU 560 N 3.63 0.00 0.00 0.66 4.77 0.68 0.23 117.00 126.97 3i8c n LEU 560 Ca -0.19 -1.51 0.00 0.00 -0.03 0.00 0.00 56.01 54.28 3i8c n LEU 560 Cb 0.53 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3i8c n LEU 560 CO 0.30 -0.67 0.36 0.79 -1.33 0.00 0.00 177.39 176.84 3i8c n TRP 561 N -1.90 0.00 0.00 -1.77 7.02 -0.66 -4.08 117.44 116.05 3i8c n TRP 561 Ca 0.10 -0.26 0.00 0.00 -1.02 0.00 0.00 57.50 56.32 3i8c n TRP 561 Cb 0.37 -0.03 0.00 0.00 -2.42 0.00 0.00 31.31 29.24 3i8c n TRP 561 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 3i8c n THR 562 N -0.26 0.00 1.81 -0.99 -1.04 -1.26 -4.68 114.28 107.86 3i8c n THR 562 Ca 0.00 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.17 3i8c n THR 562 Cb 0.28 -0.06 0.88 0.00 -1.82 0.00 0.00 70.33 69.60 3i8c n THR 562 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3i8c n ASP 563 N -1.64 0.04 -3.20 8.00 5.75 -1.26 -5.00 116.55 119.24 3i8c n ASP 563 Ca 0.00 -0.75 -0.10 0.00 -0.01 0.00 0.00 54.79 53.93 3i8c n ASP 563 Cb 0.00 -0.09 0.01 0.00 -1.03 0.00 0.00 41.12 40.01 3i8c n ASP 563 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 3i8c n ILE 564 N -1.06 -2.40 -3.61 2.12 -0.00 -1.26 -4.80 119.36 108.35 3i8c n ILE 564 Ca 0.21 0.38 -0.14 0.00 -0.00 0.00 0.00 62.75 63.20 3i8c n ILE 564 Cb 0.16 -3.04 -0.06 0.00 -0.00 0.00 0.00 39.64 36.69 3i8c n ILE 564 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 3i8c s SER 565 N -1.09 -0.40 0.03 4.38 1.04 -1.26 -3.69 113.70 112.73 3i8c s SER 565 Ca 0.10 0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.73 3i8c s SER 565 Cb -0.01 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 3i8c s SER 565 CO 0.22 -0.68 -0.13 0.00 0.98 0.00 0.00 173.24 173.63 3i8c s ALA 566 N -2.29 1.09 0.07 5.32 0.00 -1.16 -0.23 121.76 124.55 3i8c s ALA 566 Ca -0.06 -0.78 -0.17 0.00 0.00 0.00 0.00 51.96 50.94 3i8c s ALA 566 Cb -0.01 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 22.98 3i8c s ALA 566 CO -0.01 0.20 0.40 -0.98 0.00 0.00 0.00 175.76 175.38 3i8c s ARG 567 N -1.08 0.95 -0.11 0.00 1.70 -1.04 -1.59 118.95 117.78 3i8c s ARG 567 Ca 0.01 -0.47 -0.04 0.00 -0.47 0.00 0.00 55.73 54.77 3i8c s ARG 567 Cb -0.08 0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 34.69 3i8c s ARG 567 CO 0.01 -0.34 0.02 0.42 -1.08 0.00 0.00 175.30 174.33 3i8c s ILE 568 N -2.85 4.46 0.32 4.99 -1.09 -1.10 -2.45 121.20 123.47 3i8c s ILE 568 Ca -0.03 -0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.22 3i8c s ILE 568 Cb -0.00 -2.92 -0.00 0.00 -1.58 0.00 0.00 42.46 37.96 3i8c s ILE 568 CO -0.05 0.57 0.40 0.18 -1.23 0.00 0.00 174.94 174.81 3i8c n LEU 569 N 2.55 0.00 0.00 2.97 4.32 0.18 -0.49 117.00 126.53 3i8c n LEU 569 Ca -0.18 -2.69 0.00 0.00 -0.02 0.00 0.00 56.01 53.12 3i8c n LEU 569 Cb 0.53 2.14 0.00 0.00 -1.62 0.00 0.00 43.42 44.48 3i8c n LEU 569 CO 0.30 -0.57 0.00 1.17 -1.22 0.00 0.00 177.39 177.07 3i8c n LYS 570 N -0.54 2.16 0.00 3.23 4.81 -1.22 0.48 118.16 127.08 3i8c n LYS 570 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 3i8c n LYS 570 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 3i8c n LYS 570 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3i8c n LEU 571 N 0.00 0.00 0.12 3.14 7.94 -1.26 -3.74 117.00 123.20 3i8c n LEU 571 Ca 0.00 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.03 3i8c n LEU 571 Cb 0.00 0.00 0.44 0.00 0.53 0.00 0.00 43.42 44.39 3i8c n LEU 571 CO 0.00 0.00 0.88 -0.65 -1.11 0.00 0.00 177.39 176.51 3i8c h PRO 572 N 0.00 0.00 0.00 1.96 0.11 -1.96 -3.35 132.00 128.76 3i8c h PRO 572 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3i8c h PRO 572 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 3i8c h PRO 572 CO 0.00 0.00 -0.17 0.66 -0.21 0.00 0.00 178.00 178.28 3i8c h SER 573 N 0.00 0.00 -0.40 -2.05 4.64 -1.97 -3.43 113.55 110.34 3i8c h SER 573 Ca 0.00 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3i8c h SER 573 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3i8c h SER 573 CO 0.00 0.82 0.00 0.49 -0.87 0.00 0.00 176.83 177.27 3i8c n PHE 574 N -4.66 0.00 -2.70 4.77 3.01 -1.25 -5.00 117.46 111.63 3i8c n PHE 574 Ca -0.08 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.96 3i8c n PHE 574 Cb 0.28 -0.92 -0.03 0.00 -0.01 0.00 0.00 39.48 38.81 3i8c n PHE 574 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3i8c s GLU 575 N -4.13 4.45 -0.05 -1.08 -1.05 -1.26 -4.75 118.70 110.83 3i8c s GLU 575 Ca 0.00 1.38 -0.30 0.00 -0.15 0.00 0.00 54.97 55.90 3i8c s GLU 575 Cb 0.00 -3.52 -0.03 0.00 -0.44 0.00 0.00 34.13 30.14 3i8c s GLU 575 CO 0.00 -0.25 1.10 -1.17 0.95 0.00 0.00 175.26 175.89 3i8c s LEU 576 N 1.77 4.29 0.00 1.83 1.98 -1.26 -3.38 118.68 123.91 3i8c s LEU 576 Ca 0.49 1.71 0.00 0.00 -2.89 0.00 0.00 54.13 53.44 3i8c s LEU 576 Cb -0.19 -3.56 0.00 0.00 0.66 0.00 0.00 46.19 43.10 3i8c s LEU 576 CO 0.20 -0.47 0.00 0.18 -1.89 0.00 0.00 176.35 174.37 3i8c n LEU 577 N 4.78 0.00 -4.64 -0.68 4.32 0.35 -5.01 117.00 116.12 3i8c n LEU 577 Ca 0.09 0.00 -0.29 0.00 -0.02 0.00 0.00 56.01 55.79 3i8c n LEU 577 Cb 0.48 0.00 0.18 0.00 -1.62 0.00 0.00 43.42 42.46 3i8c n LEU 577 CO 0.54 0.00 0.63 -2.28 -1.22 0.00 0.00 177.39 175.05 3i8c s HIS 578 N 4.77 1.90 0.37 -1.77 5.65 -1.26 -4.83 115.29 120.12 3i8c s HIS 578 Ca 0.00 1.32 -0.09 0.00 0.25 0.00 0.00 55.06 56.53 3i8c s HIS 578 Cb 0.00 -3.18 0.04 0.00 -1.18 0.00 0.00 32.58 28.26 3i8c s HIS 578 CO 0.00 -2.93 0.66 0.36 -0.65 0.00 0.00 174.74 172.18 3i8c n LYS 579 N -4.27 0.95 -4.28 2.88 2.85 -1.26 -2.72 118.16 112.31 3i8c n LYS 579 Ca 0.07 -2.41 -0.17 0.00 -1.05 0.00 0.00 58.31 54.75 3i8c n LYS 579 Cb 0.54 2.69 -0.15 0.00 -0.65 0.00 0.00 35.03 37.47 3i8c n LYS 579 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 3i8c s GLU 580 N -2.36 0.61 -0.80 -1.58 2.56 -0.62 -4.99 118.70 111.51 3i8c s GLU 580 Ca 0.21 -0.27 0.02 0.00 0.00 0.00 0.00 54.97 54.92 3i8c s GLU 580 Cb -0.03 -0.58 0.31 0.00 2.00 0.00 0.00 34.13 35.82 3i8c s GLU 580 CO 0.15 0.16 1.22 -0.12 -0.56 0.00 0.00 175.26 176.11 3i8c n MET 581 N 2.88 3.84 -0.99 4.30 0.00 -1.26 -2.99 117.12 122.90 3i8c n MET 581 Ca -0.13 -4.71 -0.35 0.00 -0.00 0.00 0.00 57.70 52.51 3i8c n MET 581 Cb 0.57 -2.35 0.08 0.00 0.00 0.00 0.00 33.22 31.52 3i8c n MET 581 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3i8c n LEU 582 N 0.39 -2.11 0.00 -0.89 4.77 -1.24 -5.00 117.00 112.92 3i8c n LEU 582 Ca 0.34 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.67 3i8c n LEU 582 Cb 0.35 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 3i8c n LEU 582 CO 0.48 -4.38 0.00 0.61 -1.33 0.00 0.00 177.39 172.77 3i8c n GLY 583 N 2.24 0.89 3.10 -0.72 0.00 -1.26 -4.70 105.19 104.73 3i8c n GLY 583 Ca 0.05 -1.88 0.07 0.00 0.00 0.00 0.00 46.02 44.26 3i8c n GLY 583 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8c n GLY 584 N 5.00 -1.82 0.10 -0.02 0.00 -1.26 -4.67 105.19 102.52 3i8c n GLY 584 Ca 0.00 -1.26 0.01 0.00 0.00 0.00 0.00 46.02 44.77 3i8c n GLY 584 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i8c n GLU 585 N -2.29 1.00 -3.81 1.61 -0.58 -1.26 -4.83 120.64 110.48 3i8c n GLU 585 Ca 0.00 -1.08 -0.35 0.00 -0.42 0.00 0.00 57.16 55.31 3i8c n GLU 585 Cb 0.25 -1.04 -0.08 0.00 -0.57 0.00 0.00 31.44 29.99 3i8c n GLU 585 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3i8c s ILE 586 N -0.56 5.28 0.56 -3.67 -1.09 -1.26 -5.07 121.20 115.38 3i8c s ILE 586 Ca 0.03 0.14 -0.05 0.00 -2.23 0.00 0.00 60.65 58.54 3i8c s ILE 586 Cb 0.02 -3.39 -0.00 0.00 -1.58 0.00 0.00 42.46 37.51 3i8c s ILE 586 CO 0.03 0.46 0.86 0.27 -1.23 0.00 0.00 174.94 175.33 3i8c s ILE 587 N 0.21 3.95 -0.56 2.92 -4.36 -1.26 -4.77 121.20 117.32 3i8c s ILE 587 Ca 0.08 0.01 -0.28 0.00 -0.26 0.00 0.00 60.65 60.20 3i8c s ILE 587 Cb -0.11 -3.54 0.02 0.00 1.25 0.00 0.00 42.46 40.07 3i8c s ILE 587 CO -0.01 -0.54 1.33 -2.16 0.24 0.00 0.00 174.94 173.80 3i8c s PRO 588 N -4.91 3.40 0.49 0.37 0.04 -1.26 -1.93 135.00 131.20 3i8c s PRO 588 Ca 0.52 0.40 0.27 0.00 0.04 0.00 0.00 61.00 62.23 3i8c s PRO 588 Cb -0.10 -4.08 1.19 0.00 0.04 0.00 0.00 34.50 31.55 3i8c s PRO 588 CO 0.45 -1.82 1.94 -0.09 0.04 0.00 0.00 177.00 177.52 3i8c h ARG 589 N 10.46 0.00 -4.46 4.56 1.12 -1.63 -3.41 114.38 121.03 3i8c h ARG 589 Ca -0.26 0.00 -0.21 0.00 -1.11 0.00 0.00 59.98 58.40 3i8c h ARG 589 Cb 1.08 0.00 -0.14 0.00 -0.01 0.00 0.00 29.97 30.90 3i8c h ARG 589 CO 1.18 0.16 -0.57 0.45 -3.11 0.00 0.00 179.97 178.08 3i8c s SER 590 N -6.11 0.15 0.00 -3.80 0.15 -1.02 -4.87 113.70 98.20 3i8c s SER 590 Ca -0.01 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.34 3i8c s SER 590 Cb 0.11 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 3i8c s SER 590 CO 0.60 -0.85 0.00 0.00 1.20 0.00 0.00 173.24 174.19 3i8c n ILE 591 N -0.25 0.00 -4.52 6.45 0.13 -1.26 -2.60 119.36 117.31 3i8c n ILE 591 Ca 0.00 0.00 -0.26 0.00 -1.10 0.00 0.00 62.75 61.39 3i8c n ILE 591 Cb 0.65 0.00 -0.10 0.00 -0.84 0.00 0.00 39.64 39.35 3i8c n ILE 591 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 3i8c s LEU 592 N 0.00 2.82 0.32 9.51 1.43 -1.15 -3.68 118.68 127.95 3i8c s LEU 592 Ca 0.00 -1.22 0.10 0.00 -1.03 0.00 0.00 54.13 51.98 3i8c s LEU 592 Cb 0.00 -1.04 -0.06 0.00 0.03 0.00 0.00 46.19 45.13 3i8c s LEU 592 CO 0.00 -0.29 -0.06 0.00 0.23 0.00 0.00 176.35 176.23 3i8c s MET 593 N -3.66 1.96 0.07 1.70 0.23 -1.26 -2.60 119.30 115.73 3i8c s MET 593 Ca 0.34 -1.78 -0.25 0.00 -1.03 0.00 0.00 55.69 52.98 3i8c s MET 593 Cb 0.04 -1.86 0.08 0.00 -1.53 0.00 0.00 34.83 31.57 3i8c s MET 593 CO 0.18 0.19 1.14 0.25 -2.03 0.00 0.00 175.02 174.74 3i8c n THR 594 N -0.85 0.00 -2.69 3.16 -2.24 -0.18 -4.98 114.28 106.50 3i8c n THR 594 Ca -0.05 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3i8c n THR 594 Cb 0.62 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 3i8c n THR 594 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3i8c n THR 595 N -0.81 0.00 0.11 4.28 -1.04 -1.26 0.17 114.28 115.72 3i8c n THR 595 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 3i8c n THR 595 Cb 0.56 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 3i8c n THR 595 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3i8c n PHE 596 N 0.00 -3.25 0.04 -1.42 3.01 -1.24 -4.99 117.46 109.61 3i8c n PHE 596 Ca 0.00 0.72 0.00 0.00 1.01 0.00 0.00 57.45 59.18 3i8c n PHE 596 Cb 0.00 2.03 0.00 0.00 -0.01 0.00 0.00 39.48 41.50 3i8c n PHE 596 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3i8c n GLU 597 N -2.88 0.00 -3.08 -1.08 4.71 -1.26 -4.87 120.64 112.18 3i8c n GLU 597 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.16 56.96 3i8c n GLU 597 Cb 0.00 -0.07 -0.03 0.00 -1.01 0.00 0.00 31.44 30.33 3i8c n GLU 597 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 3i8c n SER 598 N -2.83 1.69 -3.65 1.62 7.64 -1.26 -5.04 113.62 111.79 3i8c n SER 598 Ca 0.00 -3.14 -0.01 0.00 1.01 0.00 0.00 58.87 56.73 3i8c n SER 598 Cb 0.00 -0.60 -0.07 0.00 -1.01 0.00 0.00 64.21 62.54 3i8c n SER 598 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3i8c s SER 599 N -2.72 -0.08 0.18 6.43 0.15 -1.26 -5.16 113.70 111.26 3i8c s SER 599 Ca 0.41 0.14 -0.09 0.00 0.70 0.00 0.00 55.95 57.11 3i8c s SER 599 Cb 0.35 0.45 -0.07 0.00 -1.71 0.00 0.00 66.02 65.04 3i8c s SER 599 CO -0.09 -0.02 0.49 -1.00 1.20 0.00 0.00 173.24 173.83 3i8c s HIS 600 N 0.39 3.47 0.01 3.44 3.76 -1.26 -3.73 115.29 121.38 3i8c s HIS 600 Ca 0.02 0.81 0.03 0.00 -0.15 0.00 0.00 55.06 55.77 3i8c s HIS 600 Cb -0.04 -2.20 -0.01 0.00 1.11 0.00 0.00 32.58 31.43 3i8c s HIS 600 CO -0.13 0.35 -0.10 0.71 -0.85 0.00 0.00 174.74 174.71 3i8c s TYR 601 N -1.70 0.90 -0.06 1.40 1.51 0.44 0.61 117.35 120.45 3i8c s TYR 601 Ca 0.43 -0.25 0.04 0.00 -1.01 0.00 0.00 57.07 56.28 3i8c s TYR 601 Cb -0.12 -0.56 0.00 0.00 -0.11 0.00 0.00 41.96 41.17 3i8c s TYR 601 CO 0.21 -0.01 -0.18 -1.17 -1.11 0.00 0.00 175.55 173.29 3i8c s LEU 602 N -0.65 1.90 0.08 -1.29 0.20 0.90 -1.02 118.68 118.80 3i8c s LEU 602 Ca 0.01 -0.40 0.04 0.00 0.69 0.00 0.00 54.13 54.47 3i8c s LEU 602 Cb -0.06 -1.07 -0.03 0.00 -0.43 0.00 0.00 46.19 44.60 3i8c s LEU 602 CO 0.00 0.13 -0.10 -0.76 -0.29 0.00 0.00 176.35 175.33 3i8c s LEU 603 N 0.25 2.36 -0.22 -0.68 1.02 -1.07 -1.44 118.68 118.90 3i8c s LEU 603 Ca -0.10 -0.73 -0.04 0.00 0.02 0.00 0.00 54.13 53.28 3i8c s LEU 603 Cb -0.14 -0.32 0.08 0.00 0.02 0.00 0.00 46.19 45.83 3i8c s LEU 603 CO 0.04 -0.22 0.10 0.00 0.02 0.00 0.00 176.35 176.29 3i8c s ALA 605 N 2.08 3.31 0.55 0.00 0.00 -1.07 -2.79 121.76 123.84 3i8c s ALA 605 Ca 0.04 0.56 0.06 0.00 0.00 0.00 0.00 51.96 52.62 3i8c s ALA 605 Cb -0.16 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 19.84 3i8c s ALA 605 CO -0.19 0.21 0.46 -0.51 0.00 0.00 0.00 175.76 175.72 3i8c s LEU 606 N -1.49 2.72 0.00 0.00 1.43 -1.06 -1.92 118.68 118.37 3i8c s LEU 606 Ca 0.44 -1.22 0.26 0.00 -1.03 0.00 0.00 54.13 52.58 3i8c s LEU 606 Cb -0.23 -1.21 0.70 0.00 0.03 0.00 0.00 46.19 45.48 3i8c s LEU 606 CO 0.29 -1.16 1.54 0.61 0.23 0.00 0.00 176.35 177.85 3i8c n GLY 607 N -1.84 -1.07 0.38 -3.19 0.00 -0.81 -3.13 105.19 95.54 3i8c n GLY 607 Ca 0.00 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 45.81 3i8c n GLY 607 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i8c n ASP 608 N -1.22 1.17 0.00 1.61 3.85 -1.26 -3.02 116.55 117.69 3i8c n ASP 608 Ca 0.08 -1.51 0.00 0.00 -0.71 0.00 0.00 54.79 52.66 3i8c n ASP 608 Cb 0.33 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 40.06 3i8c n ASP 608 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3i8c n GLY 609 N 1.08 3.01 3.50 6.12 0.00 -1.14 -4.48 105.19 113.28 3i8c n GLY 609 Ca 0.18 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 3i8c n GLY 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8c s ALA 610 N -1.57 -0.31 -0.14 4.61 0.00 -1.25 -4.19 121.76 118.92 3i8c s ALA 610 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.82 3i8c s ALA 610 Cb 0.00 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.88 3i8c s ALA 610 CO 0.00 -3.77 0.37 -1.17 0.00 0.00 0.00 175.76 171.19 3i8c s LEU 611 N -7.19 0.47 -0.06 0.00 0.20 -1.25 -2.55 118.68 108.30 3i8c s LEU 611 Ca 0.68 0.76 0.02 0.00 0.69 0.00 0.00 54.13 56.28 3i8c s LEU 611 Cb -0.25 1.27 -0.03 0.00 -0.43 0.00 0.00 46.19 46.75 3i8c s LEU 611 CO 0.64 -0.14 -0.09 -0.36 -0.29 0.00 0.00 176.35 176.11 3i8c s PHE 612 N 0.43 2.87 -0.01 5.38 0.40 -1.12 -1.47 117.98 124.46 3i8c s PHE 612 Ca -0.02 -0.03 0.03 0.00 -0.60 0.00 0.00 56.93 56.31 3i8c s PHE 612 Cb -0.04 -1.68 -0.01 0.00 0.51 0.00 0.00 43.02 41.80 3i8c s PHE 612 CO -0.02 0.29 -0.10 1.52 0.70 0.00 0.00 175.22 177.61 3i8c s TYR 613 N -0.79 0.91 -0.14 0.36 1.13 -1.20 -2.04 117.35 115.57 3i8c s TYR 613 Ca 0.12 -0.17 -0.17 0.00 -1.41 0.00 0.00 57.07 55.44 3i8c s TYR 613 Cb -0.11 -0.58 0.04 0.00 -1.10 0.00 0.00 41.96 40.21 3i8c s TYR 613 CO 0.01 -0.02 0.46 -0.06 -2.51 0.00 0.00 175.55 173.44 3i8c s PHE 614 N -0.24 -0.48 0.08 -3.49 0.40 -0.52 -4.24 117.98 109.49 3i8c s PHE 614 Ca 0.04 1.11 -0.04 0.00 -0.60 0.00 0.00 56.93 57.44 3i8c s PHE 614 Cb -0.04 0.18 -0.05 0.00 0.51 0.00 0.00 43.02 43.63 3i8c s PHE 614 CO -0.00 -0.30 0.29 0.20 0.70 0.00 0.00 175.22 176.11 3i8c s GLY 615 N -0.10 2.22 0.00 4.36 0.00 -1.26 -0.07 107.32 112.46 3i8c s GLY 615 Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 44.72 44.03 3i8c s GLY 615 CO 0.02 -0.58 0.00 -0.10 0.00 0.00 0.00 173.10 172.44 3i8c n LEU 616 N 0.39 0.00 -3.61 0.66 7.94 0.20 -4.46 117.00 118.13 3i8c n LEU 616 Ca -0.05 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.68 3i8c n LEU 616 Cb 0.52 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.33 3i8c n LEU 616 CO 0.48 0.00 -0.20 0.20 -1.11 0.00 0.00 177.39 176.76 3i8c s ASN 617 N -0.88 0.85 0.51 1.96 0.01 -1.26 -4.16 114.94 111.97 3i8c s ASN 617 Ca 0.00 0.22 0.23 0.00 -0.71 0.00 0.00 52.86 52.60 3i8c s ASN 617 Cb 0.00 0.43 1.33 0.00 0.41 0.00 0.00 41.25 43.42 3i8c s ASN 617 CO 0.00 -0.27 1.99 0.16 -1.51 0.00 0.00 177.10 177.47 3i8c h ILE 618 N 6.32 0.76 0.00 0.60 3.07 -2.01 -3.27 117.51 122.98 3i8c h ILE 618 Ca -0.15 -0.03 0.00 0.00 1.55 0.00 0.00 64.86 66.24 3i8c h ILE 618 Cb 1.13 0.68 0.00 0.00 -0.27 0.00 0.00 36.82 38.36 3i8c h ILE 618 CO 0.19 0.01 0.00 -0.62 -1.05 0.00 0.00 178.15 176.68 3i8c n GLU 619 N -4.40 0.00 0.00 0.16 -0.58 -1.26 -4.84 120.64 109.71 3i8c n GLU 619 Ca 0.10 0.22 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 3i8c n GLU 619 Cb 0.57 -0.67 0.00 0.00 -0.57 0.00 0.00 31.44 30.77 3i8c n GLU 619 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 3i8c n THR 620 N -1.91 0.00 0.00 2.62 5.66 -1.24 -5.07 114.28 114.34 3i8c n THR 620 Ca 0.00 0.47 0.00 0.00 -3.05 0.00 0.00 64.05 61.47 3i8c n THR 620 Cb 0.00 -1.28 0.00 0.00 -1.55 0.00 0.00 70.33 67.50 3i8c n THR 620 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i8c n GLY 621 N 0.49 1.00 3.12 1.09 0.00 -1.23 -5.03 105.19 104.64 3i8c n GLY 621 Ca 0.00 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 3i8c n GLY 621 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i8c n LEU 622 N 0.00 0.00 0.00 0.99 4.32 -1.26 -4.51 117.00 116.54 3i8c n LEU 622 Ca 0.00 -3.05 0.00 0.00 -0.02 0.00 0.00 56.01 52.94 3i8c n LEU 622 Cb 0.00 1.50 0.00 0.00 -1.62 0.00 0.00 43.42 43.30 3i8c n LEU 622 CO 0.00 -0.50 0.00 -0.11 -1.22 0.00 0.00 177.39 175.56 3i8c n LEU 623 N 0.00 0.00 0.00 2.23 0.00 -1.26 -4.90 117.00 113.07 3i8c n LEU 623 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.06 3i8c n LEU 623 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.01 3i8c n LEU 623 CO 0.30 -0.08 0.00 -1.54 0.00 0.00 0.00 177.39 176.08 3i8c n SER 624 N 0.00 0.00 -4.20 1.96 3.41 -1.26 -4.74 113.62 108.79 3i8c n SER 624 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 3i8c n SER 624 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 3i8c n SER 624 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3i8c s ASP 625 N 2.00 5.53 -0.39 4.04 1.11 -1.26 -5.00 116.67 122.70 3i8c s ASP 625 Ca 0.00 -1.81 -0.29 0.00 0.18 0.00 0.00 52.55 50.63 3i8c s ASP 625 Cb 0.00 -1.94 0.01 0.00 1.07 0.00 0.00 42.92 42.06 3i8c s ASP 625 CO 0.00 -0.60 1.25 -0.60 1.18 0.00 0.00 175.17 176.40 3i8c s ARG 626 N 1.31 3.78 0.17 8.23 3.52 -1.26 -4.38 118.95 130.33 3i8c s ARG 626 Ca 0.05 0.92 -0.07 0.00 -0.13 0.00 0.00 55.73 56.50 3i8c s ARG 626 Cb -0.24 -3.91 -0.02 0.00 -1.56 0.00 0.00 34.95 29.22 3i8c s ARG 626 CO -0.01 -1.30 0.26 0.15 -0.81 0.00 0.00 175.30 173.59 3i8c s LYS 627 N 4.40 1.18 -0.35 5.12 1.02 -1.26 -4.98 119.74 124.87 3i8c s LYS 627 Ca 0.53 -1.27 -0.00 0.00 0.02 0.00 0.00 55.97 55.25 3i8c s LYS 627 Cb -0.12 0.36 0.13 0.00 -0.52 0.00 0.00 37.83 37.68 3i8c s LYS 627 CO 0.27 -0.42 0.20 0.21 -0.92 0.00 0.00 175.35 174.69 3i8c s LYS 628 N -4.01 0.59 0.00 1.68 2.20 -1.25 -3.27 119.74 115.68 3i8c s LYS 628 Ca 0.21 -1.30 0.00 0.00 -0.36 0.00 0.00 55.97 54.52 3i8c s LYS 628 Cb 0.04 -1.42 0.00 0.00 -1.51 0.00 0.00 37.83 34.94 3i8c s LYS 628 CO 0.03 -1.18 0.00 1.33 -0.36 0.00 0.00 175.35 175.17 3i8c n VAL 629 N 4.16 0.00 0.00 4.02 0.24 -0.54 -4.84 118.33 121.37 3i8c n VAL 629 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 3i8c n VAL 629 Cb 0.37 -0.83 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 3i8c n VAL 629 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3i8c n THR 630 N -0.32 0.00 0.00 3.34 5.66 -1.26 -3.86 114.28 117.84 3i8c n THR 630 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3i8c n THR 630 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3i8c n THR 630 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3i8c n LEU 631 N -0.88 0.00 0.00 1.09 4.77 -1.26 -3.78 117.00 116.94 3i8c n LEU 631 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 3i8c n LEU 631 Cb 0.00 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.18 3i8c n LEU 631 CO 0.00 0.00 0.34 0.61 -1.33 0.00 0.00 177.39 177.01 3i8c n GLY 632 N 0.00 -1.49 0.08 -0.72 0.00 -1.26 -4.83 105.19 96.97 3i8c n GLY 632 Ca 0.00 -1.65 -0.05 0.00 0.00 0.00 0.00 46.02 44.32 3i8c n GLY 632 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i8c n THR 633 N -2.85 1.21 -2.63 2.61 -2.24 -1.26 -4.38 114.28 104.73 3i8c n THR 633 Ca 0.07 -0.76 -0.27 0.00 -2.27 0.00 0.00 64.05 60.82 3i8c n THR 633 Cb 0.23 -0.60 0.01 0.00 -2.10 0.00 0.00 70.33 67.87 3i8c n THR 633 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3i8c s GLN 634 N -2.75 3.41 0.88 -0.78 -1.52 -1.26 -2.89 119.66 114.75 3i8c s GLN 634 Ca -0.07 0.11 -0.16 0.00 -1.95 0.00 0.00 55.36 53.29 3i8c s GLN 634 Cb 0.08 -2.38 -0.14 0.00 -0.22 0.00 0.00 33.01 30.35 3i8c s GLN 634 CO 0.83 -0.28 -0.68 -2.30 -0.25 0.00 0.00 175.29 172.61 3i8c n PRO 635 N -2.29 0.00 -3.77 2.91 -0.01 -1.17 -3.54 135.00 127.13 3i8c n PRO 635 Ca 0.01 0.00 -0.20 0.00 -0.01 0.00 0.00 63.50 63.30 3i8c n PRO 635 Cb 0.56 -0.94 -0.17 0.00 -0.01 0.00 0.00 33.50 32.94 3i8c n PRO 635 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 175.50 176.48 3i8c s THR 636 N -1.88 0.10 -0.34 3.45 2.01 -1.25 -4.53 115.64 113.21 3i8c s THR 636 Ca 0.39 0.24 -0.08 0.00 0.31 0.00 0.00 61.69 62.56 3i8c s THR 636 Cb -0.21 -0.28 0.03 0.00 0.01 0.00 0.00 72.50 72.05 3i8c s THR 636 CO 0.76 0.19 0.12 -0.69 -0.69 0.00 0.00 174.62 174.31 3i8c s VAL 637 N 1.74 4.01 0.15 3.82 1.01 -0.25 -4.36 120.40 126.51 3i8c s VAL 637 Ca 0.00 -0.98 -0.28 0.00 0.00 0.00 0.00 61.98 60.72 3i8c s VAL 637 Cb -0.13 -3.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.96 3i8c s VAL 637 CO -0.03 -0.14 0.90 -0.76 0.00 0.00 0.00 175.10 175.06 3i8c s LEU 638 N 1.46 4.55 0.00 3.92 1.43 -1.26 -1.25 118.68 127.53 3i8c s LEU 638 Ca 0.00 1.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 3i8c s LEU 638 Cb -0.19 -3.49 -0.00 0.00 0.03 0.00 0.00 46.19 42.54 3i8c s LEU 638 CO 0.04 0.06 0.07 -1.14 0.23 0.00 0.00 176.35 175.61 3i8c n ARG 639 N 2.20 0.10 -3.71 1.70 3.00 -0.59 -4.98 116.66 114.39 3i8c n ARG 639 Ca -0.01 -0.52 -0.12 0.00 -0.00 0.00 0.00 57.85 57.20 3i8c n ARG 639 Cb 0.49 0.47 -0.12 0.00 0.00 0.00 0.00 32.46 33.30 3i8c n ARG 639 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3i8c s THR 640 N -2.39 -0.09 0.13 5.15 2.01 -1.26 -1.78 115.64 117.41 3i8c s THR 640 Ca 0.06 0.14 0.10 0.00 0.31 0.00 0.00 61.69 62.30 3i8c s THR 640 Cb 0.00 -0.49 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 3i8c s THR 640 CO 0.04 0.06 -0.23 0.72 -0.69 0.00 0.00 174.62 174.52 3i8c s PHE 641 N 1.46 2.40 -0.30 4.92 -0.12 0.38 -4.62 117.98 122.11 3i8c s PHE 641 Ca -0.08 -0.33 -0.29 0.00 -0.05 0.00 0.00 56.93 56.18 3i8c s PHE 641 Cb -0.10 -1.28 -0.01 0.00 -0.63 0.00 0.00 43.02 41.00 3i8c s PHE 641 CO -0.10 0.37 1.53 0.50 -0.05 0.00 0.00 175.22 177.47 3i8c s ARG 642 N -2.16 3.70 0.00 1.99 3.52 -1.26 -1.44 118.95 123.30 3i8c s ARG 642 Ca 0.16 1.38 0.00 0.00 -0.13 0.00 0.00 55.73 57.14 3i8c s ARG 642 Cb -0.10 -4.03 0.00 0.00 -1.56 0.00 0.00 34.95 29.26 3i8c s ARG 642 CO 0.08 -1.41 0.00 -1.13 -0.81 0.00 0.00 175.30 172.03 3i8c n SER 643 N 8.65 0.00 0.00 -2.12 3.41 -1.26 -4.94 113.62 117.36 3i8c n SER 643 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 3i8c n SER 643 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3i8c n SER 643 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i8c n LEU 644 N 0.00 0.00 0.05 1.04 -0.00 -1.26 -4.91 117.00 111.92 3i8c n LEU 644 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.04 3i8c n LEU 644 Cb 0.00 0.00 0.40 0.00 -0.00 0.00 0.00 43.42 43.82 3i8c n LEU 644 CO 0.00 0.00 1.03 0.77 -0.00 0.00 0.00 177.39 179.19 3i8c h SER 645 N 0.00 0.38 -0.88 1.45 4.64 -2.01 -3.25 113.55 113.88 3i8c h SER 645 Ca 0.00 -0.04 -0.60 0.00 -0.47 0.00 0.00 61.79 60.67 3i8c h SER 645 Cb 0.00 -0.10 -0.37 0.00 -0.31 0.00 0.00 62.40 61.62 3i8c h SER 645 CO 0.00 0.39 -0.13 0.35 -0.87 0.00 0.00 176.83 176.56 3i8c n THR 646 N -4.38 2.97 -0.50 2.95 -2.24 -1.26 -5.05 114.28 106.77 3i8c n THR 646 Ca 0.01 -3.74 -0.20 0.00 -2.27 0.00 0.00 64.05 57.86 3i8c n THR 646 Cb 0.16 -1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 67.21 3i8c n THR 646 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i8c n THR 647 N -0.78 0.00 -3.56 4.28 -2.24 -1.23 -4.88 114.28 105.86 3i8c n THR 647 Ca 0.51 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 3i8c n THR 647 Cb 0.83 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 3i8c n THR 647 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3i8c n ASN 648 N 0.85 1.38 -4.39 3.42 3.02 -0.52 -4.74 115.26 114.29 3i8c n ASN 648 Ca 0.08 -0.88 -0.37 0.00 -0.03 0.00 0.00 54.58 53.38 3i8c n ASN 648 Cb 0.00 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.05 3i8c n ASN 648 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i8c s VAL 649 N -0.17 4.18 -0.16 2.41 1.01 -0.69 -0.47 120.40 126.52 3i8c s VAL 649 Ca 0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 3i8c s VAL 649 Cb 0.00 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 3i8c s VAL 649 CO 0.00 0.13 0.08 0.12 0.00 0.00 0.00 175.10 175.43 3i8c s PHE 650 N 1.55 3.34 -0.31 5.22 5.36 -0.74 0.98 117.98 133.38 3i8c s PHE 650 Ca 0.04 0.23 -0.10 0.00 -0.96 0.00 0.00 56.93 56.13 3i8c s PHE 650 Cb -0.17 -2.02 -0.01 0.00 -0.34 0.00 0.00 43.02 40.48 3i8c s PHE 650 CO 0.03 0.35 0.17 0.00 -1.46 0.00 0.00 175.22 174.31 3i8c s ALA 651 N -0.12 3.33 -0.35 11.12 0.00 0.21 -1.54 121.76 134.41 3i8c s ALA 651 Ca 0.08 -1.36 -0.21 0.00 0.00 0.00 0.00 51.96 50.47 3i8c s ALA 651 Cb -0.12 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.58 3i8c s ALA 651 CO 0.01 -0.88 0.68 0.00 0.00 0.00 0.00 175.76 175.57 3i8c s SER 653 N 1.79 0.14 0.51 0.00 0.15 -1.05 -1.09 113.70 114.14 3i8c s SER 653 Ca 0.27 -1.06 0.34 0.00 0.70 0.00 0.00 55.95 56.20 3i8c s SER 653 Cb -0.14 0.67 1.58 0.00 -1.71 0.00 0.00 66.02 66.43 3i8c s SER 653 CO 0.15 -1.31 2.01 -2.24 1.20 0.00 0.00 173.24 173.05 3i8c h ASP 654 N 2.14 0.00 -3.82 5.45 2.03 -1.83 -3.01 116.42 117.38 3i8c h ASP 654 Ca -0.27 0.00 -0.62 0.00 -0.73 0.00 0.00 57.03 55.41 3i8c h ASP 654 Cb 1.25 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 39.34 3i8c h ASP 654 CO 0.35 0.00 -0.68 -0.60 -1.03 0.00 0.00 179.24 177.28 3i8c s ARG 655 N -3.73 1.70 0.31 4.15 3.52 -1.26 -4.61 118.95 119.04 3i8c s ARG 655 Ca -0.00 -2.42 -0.29 0.00 -0.13 0.00 0.00 55.73 52.88 3i8c s ARG 655 Cb 0.10 -2.86 -0.12 0.00 -1.56 0.00 0.00 34.95 30.52 3i8c s ARG 655 CO 0.44 -1.16 1.56 -0.35 -0.81 0.00 0.00 175.30 174.98 3i8c n PRO 656 N 3.17 2.67 -4.02 5.12 -0.04 -1.24 -4.37 135.00 136.28 3i8c n PRO 656 Ca 0.09 0.94 -0.13 0.00 -0.04 0.00 0.00 63.50 64.36 3i8c n PRO 656 Cb 0.34 -2.71 -0.13 0.00 -0.04 0.00 0.00 33.50 30.96 3i8c n PRO 656 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3i8c s THR 657 N -0.32 0.25 -0.06 0.52 2.01 -0.90 -1.30 115.64 115.84 3i8c s THR 657 Ca 0.61 -0.37 -0.00 0.00 0.31 0.00 0.00 61.69 62.24 3i8c s THR 657 Cb -0.50 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 3i8c s THR 657 CO 0.53 -0.08 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.68 3i8c s VAL 658 N -0.45 4.17 -0.32 3.82 1.01 -0.67 0.67 120.40 128.62 3i8c s VAL 658 Ca -0.03 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 3i8c s VAL 658 Cb -0.04 -2.78 0.04 0.00 0.00 0.00 0.00 36.38 33.61 3i8c s VAL 658 CO -0.00 0.54 0.06 -0.63 0.00 0.00 0.00 175.10 175.06 3i8c s ILE 659 N -0.93 3.42 0.00 2.22 1.01 0.28 -2.35 121.20 124.85 3i8c s ILE 659 Ca 0.15 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.55 3i8c s ILE 659 Cb -0.11 -2.95 0.00 0.00 0.01 0.00 0.00 42.46 39.41 3i8c s ILE 659 CO 0.04 -0.15 0.00 -1.22 0.00 0.00 0.00 174.94 173.62 3i8c n TYR 660 N 4.72 0.00 -3.70 3.97 4.01 -0.93 -1.70 117.16 123.53 3i8c n TYR 660 Ca -0.13 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.50 3i8c n TYR 660 Cb 0.44 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.36 3i8c n TYR 660 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3i8c s SER 661 N -0.74 -0.44 0.00 7.72 0.01 -1.26 -3.16 113.70 115.82 3i8c s SER 661 Ca 0.00 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.06 3i8c s SER 661 Cb 0.00 0.69 0.00 0.00 0.21 0.00 0.00 66.02 66.92 3i8c s SER 661 CO 0.00 -0.19 0.00 -0.24 0.41 0.00 0.00 173.24 173.22 3i8c n SER 662 N 4.29 0.00 -0.20 2.44 2.88 -1.11 -4.54 113.62 117.39 3i8c n SER 662 Ca -0.23 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.31 3i8c n SER 662 Cb 0.54 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.11 3i8c n SER 662 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3i8c h ASN 663 N 0.00 0.03 0.00 -3.46 7.08 -1.98 -3.36 115.58 113.89 3i8c h ASN 663 Ca 0.00 0.11 0.00 0.00 -3.08 0.00 0.00 56.30 53.33 3i8c h ASN 663 Cb 0.00 0.14 0.00 0.00 -2.08 0.00 0.00 38.32 36.38 3i8c h ASN 663 CO 0.00 0.02 0.00 1.57 -2.08 0.00 0.00 177.43 176.94 3i8c n HIS 664 N -5.11 0.00 0.00 4.14 -0.00 -1.26 -4.92 115.22 108.07 3i8c n HIS 664 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 3i8c n HIS 664 Cb 0.32 0.07 0.00 0.00 -0.00 0.00 0.00 29.99 30.38 3i8c n HIS 664 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3i8c n LYS 665 N 0.00 3.82 -3.66 1.57 5.02 -1.26 -4.98 118.16 118.67 3i8c n LYS 665 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 3i8c n LYS 665 Cb 0.28 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.20 3i8c n LYS 665 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i8c s LEU 666 N 0.00 -0.62 0.60 -0.35 1.43 -1.26 -2.74 118.68 115.75 3i8c s LEU 666 Ca 0.00 1.10 -0.10 0.00 -1.03 0.00 0.00 54.13 54.10 3i8c s LEU 666 Cb 0.00 1.58 -0.03 0.00 0.03 0.00 0.00 46.19 47.77 3i8c s LEU 666 CO 0.00 -0.22 0.99 -0.69 0.23 0.00 0.00 176.35 176.66 3i8c s VAL 667 N 2.29 4.52 -0.37 -1.59 1.01 -1.19 -4.57 120.40 120.51 3i8c s VAL 667 Ca -0.05 0.65 0.13 0.00 0.00 0.00 0.00 61.98 62.71 3i8c s VAL 667 Cb -0.11 -3.79 0.37 0.00 0.00 0.00 0.00 36.38 32.85 3i8c s VAL 667 CO -0.14 -0.99 0.82 0.49 0.00 0.00 0.00 175.10 175.28 3i8c n PHE 668 N -2.69 0.08 -3.93 5.22 3.01 -1.25 -2.19 117.46 115.71 3i8c n PHE 668 Ca 0.05 -3.41 -0.32 0.00 1.01 0.00 0.00 57.45 54.78 3i8c n PHE 668 Cb 0.55 -0.19 -0.05 0.00 -0.01 0.00 0.00 39.48 39.78 3i8c n PHE 668 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 3i8c s SER 669 N -2.45 6.27 0.56 4.37 0.01 -0.99 -4.92 113.70 116.55 3i8c s SER 669 Ca 0.35 0.28 -0.21 0.00 1.31 0.00 0.00 55.95 57.68 3i8c s SER 669 Cb 0.37 -1.93 -0.05 0.00 0.21 0.00 0.00 66.02 64.63 3i8c s SER 669 CO -0.05 0.22 1.25 0.59 0.41 0.00 0.00 173.24 175.66 3i8c n ASN 670 N 0.63 2.15 -4.48 2.44 3.02 -1.26 -1.67 115.26 116.09 3i8c n ASN 670 Ca -0.08 0.93 -0.35 0.00 -0.03 0.00 0.00 54.58 55.05 3i8c n ASN 670 Cb 0.52 -1.52 -0.12 0.00 -0.61 0.00 0.00 39.78 38.04 3i8c n ASN 670 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i8c s VAL 671 N -1.34 4.11 -1.38 2.41 1.01 -0.42 0.33 120.40 125.12 3i8c s VAL 671 Ca 0.74 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 62.30 3i8c s VAL 671 Cb -0.42 -2.86 0.03 0.00 0.00 0.00 0.00 36.38 33.13 3i8c s VAL 671 CO 0.48 0.43 2.11 0.59 0.00 0.00 0.00 175.10 178.70 3i8c n ASN 672 N 4.17 3.98 -3.95 3.32 3.02 0.21 -4.58 115.26 121.44 3i8c n ASN 672 Ca -0.17 -2.84 -0.10 0.00 -0.03 0.00 0.00 54.58 51.44 3i8c n ASN 672 Cb 0.52 -1.64 -0.10 0.00 -0.61 0.00 0.00 39.78 37.94 3i8c n ASN 672 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i8c s LEU 673 N 2.68 1.98 0.00 3.41 1.43 -1.26 -4.63 118.68 122.29 3i8c s LEU 673 Ca 0.49 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 3i8c s LEU 673 Cb 0.12 0.36 0.00 0.00 0.03 0.00 0.00 46.19 46.70 3i8c s LEU 673 CO -0.04 -0.38 0.97 1.17 0.23 0.00 0.00 176.35 178.30 3i8c n LYS 674 N 1.28 0.00 -3.64 1.70 3.00 -1.26 -4.72 118.16 114.53 3i8c n LYS 674 Ca -0.22 0.72 -0.04 0.00 -0.00 0.00 0.00 58.31 58.77 3i8c n LYS 674 Cb 0.56 -1.47 -0.06 0.00 0.00 0.00 0.00 35.03 34.06 3i8c n LYS 674 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3i8c s GLU 675 N -2.89 0.19 -0.06 1.64 2.12 -1.26 -4.82 118.70 113.62 3i8c s GLU 675 Ca 0.00 0.14 0.01 0.00 0.36 0.00 0.00 54.97 55.47 3i8c s GLU 675 Cb 0.00 0.09 0.02 0.00 0.26 0.00 0.00 34.13 34.50 3i8c s GLU 675 CO 0.00 -0.04 -0.06 0.08 -0.54 0.00 0.00 175.26 174.70 3i8c s VAL 676 N -0.44 0.73 -0.16 3.70 1.01 -1.14 -4.60 120.40 119.50 3i8c s VAL 676 Ca 0.06 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 3i8c s VAL 676 Cb -0.03 -0.74 -0.10 0.00 0.00 0.00 0.00 36.38 35.51 3i8c s VAL 676 CO -0.09 0.28 0.07 0.78 0.00 0.00 0.00 175.10 176.14 3i8c h ASN 677 N 7.43 0.00 -4.65 3.32 2.35 -0.83 -2.77 115.58 120.42 3i8c h ASN 677 Ca -0.33 -0.27 -0.26 0.00 -0.55 0.00 0.00 56.30 54.90 3i8c h ASN 677 Cb 1.15 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.38 3i8c h ASN 677 CO 0.43 1.00 -0.67 -0.31 -1.65 0.00 0.00 177.43 176.24 3i8c s TYR 678 N -2.19 1.07 -0.28 1.19 1.51 -1.13 -4.73 117.35 112.79 3i8c s TYR 678 Ca -0.18 -1.02 -0.24 0.00 -1.01 0.00 0.00 57.07 54.62 3i8c s TYR 678 Cb 0.03 -0.61 0.10 0.00 -0.11 0.00 0.00 41.96 41.37 3i8c s TYR 678 CO 0.36 -0.23 0.92 1.41 -1.11 0.00 0.00 175.55 176.90 3i8c s MET 679 N -3.91 0.62 0.03 -0.62 -2.45 -1.26 -1.03 119.30 110.68 3i8c s MET 679 Ca 0.20 0.75 -0.15 0.00 -1.25 0.00 0.00 55.69 55.24 3i8c s MET 679 Cb 0.06 0.29 0.03 0.00 1.25 0.00 0.00 34.83 36.46 3i8c s MET 679 CO 0.01 -0.08 0.34 0.00 1.05 0.00 0.00 175.02 176.34 3i8c n PRO 681 N 0.71 -0.47 -3.77 0.00 -0.02 -1.26 0.20 135.00 130.40 3i8c n PRO 681 Ca -0.19 -0.09 -0.02 0.00 -2.02 0.00 0.00 63.50 61.18 3i8c n PRO 681 Cb 0.59 -1.94 -0.00 0.00 -0.02 0.00 0.00 33.50 32.12 3i8c n PRO 681 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3i8c s LEU 682 N -2.22 -0.10 0.00 2.45 2.96 -1.26 -4.58 118.68 115.93 3i8c s LEU 682 Ca 0.59 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 3i8c s LEU 682 Cb -0.21 1.93 0.00 0.00 0.50 0.00 0.00 46.19 48.42 3i8c s LEU 682 CO 0.66 -0.77 0.19 -3.20 -1.32 0.00 0.00 176.35 171.91 3i8c n ASN 683 N -0.69 0.00 -4.39 3.68 5.15 -1.25 -2.33 115.26 115.44 3i8c n ASN 683 Ca -0.05 -0.48 -0.33 0.00 -0.60 0.00 0.00 54.58 53.11 3i8c n ASN 683 Cb 0.61 0.00 0.13 0.00 -0.53 0.00 0.00 39.78 39.98 3i8c n ASN 683 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 3i8c n SER 684 N 0.00 -2.22 -4.56 1.20 2.88 -1.10 -4.38 113.62 105.44 3i8c n SER 684 Ca 0.00 0.26 -0.42 0.00 -1.33 0.00 0.00 58.87 57.37 3i8c n SER 684 Cb 0.24 -1.16 -0.01 0.00 -0.75 0.00 0.00 64.21 62.53 3i8c n SER 684 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 3i8c s ASP 685 N -1.97 6.73 0.00 -3.46 1.47 -1.26 -1.84 116.67 116.34 3i8c s ASP 685 Ca 0.56 -2.11 0.00 0.00 1.18 0.00 0.00 52.55 52.18 3i8c s ASP 685 Cb -0.20 -2.56 0.00 0.00 -0.34 0.00 0.00 42.92 39.83 3i8c s ASP 685 CO 0.68 -1.26 0.00 0.61 0.68 0.00 0.00 175.17 175.88 3i8c n GLY 686 N 5.85 0.26 2.70 2.12 0.00 -1.26 -3.65 105.19 111.20 3i8c n GLY 686 Ca 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.37 3i8c n GLY 686 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i8c n TYR 687 N 0.00 -1.64 0.00 1.61 4.01 -0.77 -4.62 117.16 115.76 3i8c n TYR 687 Ca 0.00 -1.36 0.00 0.00 -0.16 0.00 0.00 57.90 56.38 3i8c n TYR 687 Cb 0.00 1.38 0.00 0.00 -0.31 0.00 0.00 39.34 40.41 3i8c n TYR 687 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3i8c n PRO 688 N 0.65 1.98 -0.66 -0.72 -0.02 -1.08 -2.70 135.00 132.46 3i8c n PRO 688 Ca 0.01 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.48 3i8c n PRO 688 Cb 0.72 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.19 3i8c n PRO 688 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3i8c n ASP 689 N 0.00 -1.23 0.00 2.55 4.64 -1.26 -4.14 116.55 117.11 3i8c n ASP 689 Ca 0.00 -0.84 0.00 0.00 -1.38 0.00 0.00 54.79 52.57 3i8c n ASP 689 Cb 0.00 -0.37 0.00 0.00 -1.04 0.00 0.00 41.12 39.71 3i8c n ASP 689 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 3i8c n SER 690 N 2.88 0.62 0.00 1.67 7.64 -0.98 -4.32 113.62 121.13 3i8c n SER 690 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 3i8c n SER 690 Cb 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 3i8c n SER 690 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3i8c n LEU 691 N 0.00 0.00 -4.87 -3.43 4.77 -1.22 -4.14 117.00 108.11 3i8c n LEU 691 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.67 3i8c n LEU 691 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 3i8c n LEU 691 CO 0.00 0.00 0.36 0.00 -1.33 0.00 0.00 177.39 176.42 3i8c s ALA 692 N 0.00 3.42 -0.28 -1.18 0.00 0.54 -2.88 121.76 121.38 3i8c s ALA 692 Ca 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 51.96 51.72 3i8c s ALA 692 Cb 0.00 -2.62 0.14 0.00 0.00 0.00 0.00 23.12 20.64 3i8c s ALA 692 CO 0.00 0.26 0.57 -0.51 0.00 0.00 0.00 175.76 176.08 3i8c s LEU 693 N -3.28 -1.07 -0.01 0.00 1.02 0.15 -1.74 118.68 113.76 3i8c s LEU 693 Ca 0.51 1.19 0.04 0.00 0.02 0.00 0.00 54.13 55.88 3i8c s LEU 693 Cb -0.10 2.00 -0.03 0.00 0.02 0.00 0.00 46.19 48.07 3i8c s LEU 693 CO 0.24 -0.24 -0.09 0.00 0.02 0.00 0.00 176.35 176.28 3i8c s ALA 694 N 2.81 2.91 0.03 4.21 0.00 -0.20 -2.36 121.76 129.16 3i8c s ALA 694 Ca 0.03 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3i8c s ALA 694 Cb -0.13 -1.07 -0.00 0.00 0.00 0.00 0.00 23.12 21.92 3i8c s ALA 694 CO -0.18 0.60 0.01 0.27 0.00 0.00 0.00 175.76 176.45 3i8c n ASN 695 N 1.72 1.06 -0.09 0.00 6.94 -1.05 -0.15 115.26 123.70 3i8c n ASN 695 Ca -0.16 -1.13 -0.00 0.00 -0.02 0.00 0.00 54.58 53.26 3i8c n ASN 695 Cb 0.52 0.06 0.01 0.00 -2.36 0.00 0.00 39.78 38.02 3i8c n ASN 695 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3i8c n ASN 696 N -1.93 -0.15 -3.23 0.53 5.15 -1.26 -3.62 115.26 110.74 3i8c n ASN 696 Ca -0.00 0.42 -0.03 0.00 -0.60 0.00 0.00 54.58 54.36 3i8c n ASN 696 Cb 0.04 -0.10 -0.03 0.00 -0.53 0.00 0.00 39.78 39.16 3i8c n ASN 696 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3i8c s SER 697 N -5.08 -0.57 0.00 1.20 1.04 -1.26 -3.85 113.70 105.17 3i8c s SER 697 Ca -0.03 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.21 3i8c s SER 697 Cb 0.05 1.54 0.00 0.00 0.10 0.00 0.00 66.02 67.71 3i8c s SER 697 CO 0.17 -0.32 0.00 0.41 0.98 0.00 0.00 173.24 174.48 3i8c n THR 698 N 5.31 0.00 -3.56 2.02 -1.04 -1.19 -4.07 114.28 111.76 3i8c n THR 698 Ca 0.03 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.72 3i8c n THR 698 Cb 0.52 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.98 3i8c n THR 698 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3i8c s LEU 699 N 0.00 4.23 0.20 -4.42 2.96 0.05 -2.53 118.68 119.16 3i8c s LEU 699 Ca 0.00 0.74 -0.16 0.00 -0.22 0.00 0.00 54.13 54.49 3i8c s LEU 699 Cb 0.00 -3.45 0.02 0.00 0.50 0.00 0.00 46.19 43.26 3i8c s LEU 699 CO 0.00 0.01 0.50 0.42 -1.32 0.00 0.00 176.35 175.95 3i8c s THR 700 N -1.71 0.03 -0.28 3.68 -4.23 -0.99 -2.64 115.64 109.50 3i8c s THR 700 Ca 0.43 -0.89 -0.20 0.00 -1.18 0.00 0.00 61.69 59.85 3i8c s THR 700 Cb -0.12 -1.65 0.08 0.00 1.34 0.00 0.00 72.50 72.14 3i8c s THR 700 CO 0.23 -0.13 0.70 0.27 -0.54 0.00 0.00 174.62 175.15 3i8c s ILE 701 N -3.89 0.00 0.00 2.99 -0.00 -1.25 -0.67 121.20 118.37 3i8c s ILE 701 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.76 3i8c s ILE 701 Cb -0.01 -1.00 0.00 0.00 -0.00 0.00 0.00 42.46 41.45 3i8c s ILE 701 CO -0.02 0.00 0.00 0.61 -0.00 0.00 0.00 174.94 175.53 3i8c n GLY 702 N 3.59 -0.19 2.80 6.27 0.00 -1.14 -1.87 105.19 114.66 3i8c n GLY 702 Ca -0.17 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 44.77 3i8c n GLY 702 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i8c n THR 703 N -0.03 0.00 -4.33 2.61 -2.24 -1.26 -3.38 114.28 105.66 3i8c n THR 703 Ca 0.00 -1.07 -0.21 0.00 -2.27 0.00 0.00 64.05 60.50 3i8c n THR 703 Cb 0.00 -1.13 -0.11 0.00 -2.10 0.00 0.00 70.33 66.99 3i8c n THR 703 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3i8c s ILE 704 N -2.32 1.78 0.80 2.28 -1.09 -1.26 -3.87 121.20 117.52 3i8c s ILE 704 Ca 0.49 -1.90 -0.05 0.00 -2.23 0.00 0.00 60.65 56.96 3i8c s ILE 704 Cb -0.02 -1.82 0.17 0.00 -1.58 0.00 0.00 42.46 39.20 3i8c s ILE 704 CO 0.33 -0.32 1.09 0.47 -1.23 0.00 0.00 174.94 175.27 3i8c n ASP 705 N 0.31 1.02 0.00 3.58 8.00 -1.19 -5.04 116.55 123.23 3i8c n ASP 705 Ca -0.13 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.40 3i8c n ASP 705 Cb 0.57 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 3i8c n ASP 705 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3i8c n GLU 706 N -3.11 0.00 0.00 -1.24 4.07 -1.26 -4.95 120.64 114.15 3i8c n GLU 706 Ca 0.17 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.27 3i8c n GLU 706 Cb 0.59 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.97 3i8c n GLU 706 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 3i8c n ILE 707 N 0.00 0.00 0.00 6.31 -5.35 -1.26 -5.08 119.36 113.98 3i8c n ILE 707 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3i8c n ILE 707 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 3i8c n ILE 707 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 3i8c n GLN 708 N -1.43 0.00 -0.20 6.28 7.27 -1.26 -4.30 117.38 123.74 3i8c n GLN 708 Ca 0.00 0.00 0.18 0.00 0.07 0.00 0.00 57.00 57.25 3i8c n GLN 708 Cb 0.00 0.00 0.32 0.00 2.41 0.00 0.00 30.24 32.97 3i8c n GLN 708 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 3i8c n LYS 709 N 0.00 -0.02 -4.94 3.69 4.81 -1.26 -3.78 118.16 116.65 3i8c n LYS 709 Ca 0.00 0.65 -0.30 0.00 -0.87 0.00 0.00 58.31 57.79 3i8c n LYS 709 Cb 0.00 -1.23 -0.15 0.00 0.02 0.00 0.00 35.03 33.68 3i8c n LYS 709 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3i8c s LEU 710 N -7.72 2.15 -0.04 3.14 1.43 -1.26 -0.39 118.68 116.00 3i8c s LEU 710 Ca -0.04 -0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 52.34 3i8c s LEU 710 Cb 0.16 -1.28 -0.05 0.00 0.03 0.00 0.00 46.19 45.05 3i8c s LEU 710 CO 0.40 0.26 0.38 -2.28 0.23 0.00 0.00 176.35 175.34 3i8c s HIS 711 N -0.78 3.67 -0.25 0.29 5.65 0.29 -4.85 115.29 119.31 3i8c s HIS 711 Ca 0.11 0.91 0.02 0.00 0.25 0.00 0.00 55.06 56.36 3i8c s HIS 711 Cb -0.10 -2.30 0.05 0.00 -1.18 0.00 0.00 32.58 29.06 3i8c s HIS 711 CO 0.02 0.56 -0.11 0.42 -0.65 0.00 0.00 174.74 174.98 3i8c s ILE 712 N -0.75 2.22 1.08 0.89 1.01 -1.26 -0.30 121.20 124.09 3i8c s ILE 712 Ca 0.23 -1.52 -0.18 0.00 0.00 0.00 0.00 60.65 59.17 3i8c s ILE 712 Cb -0.16 -2.26 0.25 0.00 0.01 0.00 0.00 42.46 40.31 3i8c s ILE 712 CO 0.11 0.04 1.27 -0.60 0.00 0.00 0.00 174.94 175.76 3i8c s ARG 713 N 1.14 -0.33 0.11 2.79 3.52 0.92 -4.91 118.95 122.19 3i8c s ARG 713 Ca -0.07 -0.40 0.03 0.00 -0.13 0.00 0.00 55.73 55.16 3i8c s ARG 713 Cb -0.19 -1.73 -0.04 0.00 -1.56 0.00 0.00 34.95 31.43 3i8c s ARG 713 CO -0.06 -3.07 -0.08 0.99 -0.81 0.00 0.00 175.30 172.27 3i8c s THR 714 N -3.61 0.88 -0.36 4.11 2.01 -1.26 -3.67 115.64 113.73 3i8c s THR 714 Ca 0.75 -1.91 -0.06 0.00 0.31 0.00 0.00 61.69 60.78 3i8c s THR 714 Cb -0.04 -1.66 0.20 0.00 0.01 0.00 0.00 72.50 71.01 3i8c s THR 714 CO 0.54 -0.78 1.04 -0.69 -0.69 0.00 0.00 174.62 174.05 3i8c s VAL 715 N -3.30 -0.30 -0.03 3.82 1.01 -1.09 -4.88 120.40 115.63 3i8c s VAL 715 Ca 0.12 -0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 3i8c s VAL 715 Cb 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 36.38 36.35 3i8c s VAL 715 CO -0.02 0.00 1.64 -2.84 0.00 0.00 0.00 175.10 173.88 3i8c s PRO 716 N 1.24 4.19 -0.00 2.72 0.02 -1.26 -1.24 135.00 140.67 3i8c s PRO 716 Ca 0.22 2.21 0.21 0.00 0.02 0.00 0.00 61.00 63.65 3i8c s PRO 716 Cb 0.09 -3.90 -0.25 0.00 0.02 0.00 0.00 34.50 30.45 3i8c s PRO 716 CO -0.11 -0.81 0.55 1.28 -0.33 0.00 0.00 177.00 177.58 3i8c n LEU 717 N 6.79 0.22 0.00 -5.54 4.77 -0.68 -4.94 117.00 117.62 3i8c n LEU 717 Ca 0.17 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3i8c n LEU 717 Cb 0.42 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3i8c n LEU 717 CO 0.62 0.05 0.00 -1.22 -1.33 0.00 0.00 177.39 175.51 3i8c n TYR 718 N -2.45 0.00 -3.54 -1.77 4.02 -1.22 -2.28 117.16 109.91 3i8c n TYR 718 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 3i8c n TYR 718 Cb 0.67 -0.84 0.00 0.00 -0.02 0.00 0.00 39.34 39.15 3i8c n TYR 718 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3i8c n GLU 719 N -2.00 0.64 -3.83 -0.72 0.28 -1.21 -3.87 120.64 109.93 3i8c n GLU 719 Ca 0.00 0.00 -0.36 0.00 -0.16 0.00 0.00 57.16 56.64 3i8c n GLU 719 Cb 0.00 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 32.74 3i8c n GLU 719 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3i8c s SER 720 N -0.09 4.85 0.75 -1.84 1.04 -1.05 -2.39 113.70 114.97 3i8c s SER 720 Ca 0.00 -0.78 -0.11 0.00 0.48 0.00 0.00 55.95 55.54 3i8c s SER 720 Cb 0.00 -1.80 0.04 0.00 0.10 0.00 0.00 66.02 64.36 3i8c s SER 720 CO 0.00 -0.17 1.08 -2.16 0.98 0.00 0.00 173.24 172.97 3i8c s PRO 721 N 1.43 2.51 0.00 4.02 0.04 -1.26 -2.66 135.00 139.08 3i8c s PRO 721 Ca 0.01 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.85 3i8c s PRO 721 Cb -0.17 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3i8c s PRO 721 CO 0.00 -1.36 0.00 0.54 0.04 0.00 0.00 177.00 176.22 3i8c n ARG 722 N -3.28 0.00 -4.24 4.56 5.12 0.28 -4.84 116.66 114.26 3i8c n ARG 722 Ca 0.07 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.86 3i8c n ARG 722 Cb 0.55 -0.36 -0.10 0.00 -1.16 0.00 0.00 32.46 31.39 3i8c n ARG 722 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3i8c s LYS 723 N -1.59 1.08 -0.14 5.56 -0.14 -1.21 -4.38 119.74 118.92 3i8c s LYS 723 Ca 0.00 -1.50 -0.08 0.00 -1.36 0.00 0.00 55.97 53.02 3i8c s LYS 723 Cb 0.00 -0.36 0.05 0.00 -1.68 0.00 0.00 37.83 35.84 3i8c s LYS 723 CO 0.00 -0.07 0.34 -1.50 -0.76 0.00 0.00 175.35 173.36 3i8c s ILE 724 N -3.56 -0.03 -0.05 2.17 2.07 -1.26 -2.35 121.20 118.19 3i8c s ILE 724 Ca 0.21 0.10 0.03 0.00 -1.41 0.00 0.00 60.65 59.57 3i8c s ILE 724 Cb 0.05 -0.51 0.01 0.00 0.13 0.00 0.00 42.46 42.15 3i8c s ILE 724 CO 0.02 0.04 -0.12 0.00 -1.91 0.00 0.00 174.94 172.98 3i8c s TYR 726 N 0.47 3.22 -0.55 0.00 5.04 -1.26 0.19 117.35 124.46 3i8c s TYR 726 Ca -0.10 -0.09 -0.07 0.00 -2.44 0.00 0.00 57.07 54.36 3i8c s TYR 726 Cb -0.13 -2.58 0.14 0.00 0.35 0.00 0.00 41.96 39.74 3i8c s TYR 726 CO 0.02 -0.39 0.41 -1.14 -1.34 0.00 0.00 175.55 173.11 3i8c s GLN 727 N 1.89 2.58 0.10 4.97 0.74 -0.81 -4.92 119.66 124.21 3i8c s GLN 727 Ca 0.09 -2.06 -0.14 0.00 0.05 0.00 0.00 55.36 53.30 3i8c s GLN 727 Cb -0.17 -3.90 -0.10 0.00 1.10 0.00 0.00 33.01 29.95 3i8c s GLN 727 CO 0.11 -1.19 1.39 1.49 -0.55 0.00 0.00 175.29 176.55 3i8c h GLU 728 N 7.96 0.73 -0.98 1.67 4.22 -1.96 -1.47 114.58 124.74 3i8c h GLU 728 Ca -0.11 -0.43 0.24 0.00 0.08 0.00 0.00 59.36 59.13 3i8c h GLU 728 Cb 1.03 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 30.20 3i8c h GLU 728 CO 0.79 1.06 0.56 -0.39 -2.18 0.00 0.00 179.01 178.85 3i8c h VAL 729 N 0.47 0.53 -0.12 0.32 -1.51 -1.96 0.41 116.25 114.41 3i8c h VAL 729 Ca 0.03 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.31 3i8c h VAL 729 Cb 0.98 -0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.07 3i8c h VAL 729 CO 0.09 0.10 0.00 -1.20 -1.23 0.00 0.00 177.57 175.33 3i8c n SER 730 N -4.91 1.75 -4.11 4.19 7.64 -1.04 -4.97 113.62 112.17 3i8c n SER 730 Ca 0.26 -1.66 -0.34 0.00 1.01 0.00 0.00 58.87 58.14 3i8c n SER 730 Cb 0.72 -0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 63.85 3i8c n SER 730 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i8c n GLN 731 N 0.37 -4.06 -4.18 1.43 1.13 0.15 -4.95 117.38 107.26 3i8c n GLN 731 Ca 0.17 0.46 -0.16 0.00 -1.94 0.00 0.00 57.00 55.53 3i8c n GLN 731 Cb 0.36 -5.25 -0.07 0.00 0.11 0.00 0.00 30.24 25.40 3i8c n GLN 731 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i8c s PHE 733 N -3.44 2.59 -0.14 0.00 2.99 -0.18 -1.92 117.98 117.88 3i8c s PHE 733 Ca 0.35 -0.24 -0.07 0.00 0.00 0.00 0.00 56.93 56.98 3i8c s PHE 733 Cb 0.02 -1.55 -0.04 0.00 0.00 0.00 0.00 43.02 41.45 3i8c s PHE 733 CO 0.21 0.18 0.09 0.20 -0.00 0.00 0.00 175.22 175.90 3i8c s GLY 734 N -0.98 2.02 -0.04 4.36 0.00 0.13 -1.16 107.32 111.65 3i8c s GLY 734 Ca 0.12 -0.70 -0.01 0.00 0.00 0.00 0.00 44.72 44.13 3i8c s GLY 734 CO 0.02 -0.22 0.07 0.14 0.00 0.00 0.00 173.10 173.11 3i8c s VAL 735 N -0.43 -0.09 0.18 1.40 1.01 -0.98 -0.42 120.40 121.08 3i8c s VAL 735 Ca 0.11 0.27 -0.18 0.00 0.00 0.00 0.00 61.98 62.17 3i8c s VAL 735 Cb -0.12 -0.15 -0.08 0.00 0.00 0.00 0.00 36.38 36.04 3i8c s VAL 735 CO 0.02 0.11 0.66 -0.76 0.00 0.00 0.00 175.10 175.12 3i8c s LEU 736 N 1.44 4.37 0.18 3.92 1.43 -0.99 -0.04 118.68 128.98 3i8c s LEU 736 Ca -0.05 1.30 -0.07 0.00 -1.03 0.00 0.00 54.13 54.29 3i8c s LEU 736 Cb -0.12 -3.41 -0.02 0.00 0.03 0.00 0.00 46.19 42.67 3i8c s LEU 736 CO -0.04 0.08 0.25 -0.94 0.23 0.00 0.00 176.35 175.93 3i8c s SER 737 N -1.60 0.09 -0.14 2.29 1.04 -0.22 -0.55 113.70 114.60 3i8c s SER 737 Ca 0.40 -1.03 -0.11 0.00 0.48 0.00 0.00 55.95 55.69 3i8c s SER 737 Cb -0.17 0.42 0.04 0.00 0.10 0.00 0.00 66.02 66.42 3i8c s SER 737 CO 0.20 -0.89 0.35 -0.55 0.98 0.00 0.00 173.24 173.34 3i8c s SER 738 N -3.02 -0.39 0.12 7.02 0.15 -1.09 -1.06 113.70 115.43 3i8c s SER 738 Ca 0.23 0.73 0.06 0.00 0.70 0.00 0.00 55.95 57.68 3i8c s SER 738 Cb 0.04 0.70 -0.04 0.00 -1.71 0.00 0.00 66.02 65.01 3i8c s SER 738 CO 0.04 -0.14 -0.15 0.00 1.20 0.00 0.00 173.24 174.19 3i8c s ARG 739 N 0.59 1.04 0.12 5.44 1.70 0.03 -2.51 118.95 125.36 3i8c s ARG 739 Ca -0.03 -1.23 -0.06 0.00 -0.47 0.00 0.00 55.73 53.93 3i8c s ARG 739 Cb -0.05 -0.97 -0.06 0.00 -0.57 0.00 0.00 34.95 33.31 3i8c s ARG 739 CO -0.04 0.19 0.37 0.42 -1.08 0.00 0.00 175.30 175.17 3i8c s ILE 740 N -2.02 5.16 0.17 4.99 1.01 -1.26 0.71 121.20 129.96 3i8c s ILE 740 Ca 0.09 0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.85 3i8c s ILE 740 Cb -0.06 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 3i8c s ILE 740 CO 0.03 0.11 0.09 -1.61 0.00 0.00 0.00 174.94 173.56 3i8c s GLU 741 N -2.46 1.07 0.14 2.79 2.02 0.36 -4.49 118.70 118.14 3i8c s GLU 741 Ca 0.39 -1.54 0.11 0.00 0.02 0.00 0.00 54.97 53.94 3i8c s GLU 741 Cb -0.12 0.25 -0.04 0.00 0.10 0.00 0.00 34.13 34.31 3i8c s GLU 741 CO 0.23 -0.32 -0.26 0.14 0.02 0.00 0.00 175.26 175.06 3i8c s VAL 742 N -4.10 2.23 0.99 2.63 -7.23 -1.26 -1.98 120.40 111.68 3i8c s VAL 742 Ca 0.32 -1.78 -0.16 0.00 -1.81 0.00 0.00 61.98 58.54 3i8c s VAL 742 Cb 0.07 -1.98 -0.09 0.00 0.56 0.00 0.00 36.38 34.95 3i8c s VAL 742 CO 0.07 0.05 -0.45 0.00 -0.31 0.00 0.00 175.10 174.46 3i8c n GLN 743 N 0.84 -0.15 0.00 4.82 10.64 0.46 -1.84 117.38 132.15 3i8c n GLN 743 Ca -0.17 -0.03 0.00 0.00 -1.83 0.00 0.00 57.00 54.97 3i8c n GLN 743 Cb 0.53 -1.29 0.00 0.00 -0.86 0.00 0.00 30.24 28.62 3i8c n GLN 743 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3i8c n ASP 744 N 1.80 0.00 -0.02 2.61 8.00 0.13 -3.37 116.55 125.70 3i8c n ASP 744 Ca 0.01 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.52 3i8c n ASP 744 Cb 0.57 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.66 3i8c n ASP 744 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3i8c n THR 745 N 0.00 0.00 1.49 -3.53 -2.24 -1.26 -4.04 114.28 104.69 3i8c n THR 745 Ca 0.00 -0.47 0.10 0.00 -2.27 0.00 0.00 64.05 61.42 3i8c n THR 745 Cb 0.00 1.01 0.44 0.00 -2.10 0.00 0.00 70.33 69.68 3i8c n THR 745 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3i8c n SER 746 N -0.81 1.12 0.00 3.42 3.41 -1.26 -4.93 113.62 114.57 3i8c n SER 746 Ca 0.01 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 3i8c n SER 746 Cb 0.03 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 3i8c n SER 746 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i8c n GLY 747 N 1.02 0.90 3.31 5.00 0.00 -1.26 -4.95 105.19 109.21 3i8c n GLY 747 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3i8c n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8c n GLY 748 N 0.00 -2.67 3.86 -0.02 0.00 -1.26 -1.29 105.19 103.81 3i8c n GLY 748 Ca 0.00 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 3i8c n GLY 748 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i8c s THR 749 N -2.29 5.31 0.00 2.61 -4.23 -1.26 0.20 115.64 115.98 3i8c s THR 749 Ca 0.53 0.43 0.00 0.00 -1.18 0.00 0.00 61.69 61.47 3i8c s THR 749 Cb -0.20 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.11 3i8c s THR 749 CO 0.71 0.57 0.00 0.35 -0.54 0.00 0.00 174.62 175.71 3i8c n THR 750 N 1.82 0.00 0.00 3.99 -2.24 -0.77 -4.92 114.28 112.16 3i8c n THR 750 Ca -0.17 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3i8c n THR 750 Cb 0.54 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 3i8c n THR 750 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8c n ALA 751 N -1.58 0.00 0.00 6.98 0.00 -1.26 -4.86 120.51 119.78 3i8c n ALA 751 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i8c n ALA 751 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i8c n ALA 751 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i8c n LEU 752 N 0.00 0.00 -3.76 0.00 4.77 -1.26 -4.77 117.00 111.98 3i8c n LEU 752 Ca 0.00 -0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 55.89 3i8c n LEU 752 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3i8c n LEU 752 CO 0.00 0.00 0.68 0.00 -1.33 0.00 0.00 177.39 176.74 3i8c s ARG 753 N -1.79 1.27 -0.18 3.23 1.70 -1.26 -5.14 118.95 116.79 3i8c s ARG 753 Ca 0.00 -0.70 -0.29 0.00 -0.47 0.00 0.00 55.73 54.28 3i8c s ARG 753 Cb 0.00 0.44 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 3i8c s ARG 753 CO 0.00 -0.58 1.01 -1.25 -1.08 0.00 0.00 175.30 173.40 3i8c s PRO 754 N -3.38 4.32 0.00 3.89 0.04 -1.26 -5.01 135.00 133.60 3i8c s PRO 754 Ca 0.12 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.50 3i8c s PRO 754 Cb -0.02 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.92 3i8c s PRO 754 CO 0.02 -0.49 0.00 0.43 0.04 0.00 0.00 177.00 177.00 3i8c n SER 755 N 5.77 0.00 0.12 6.66 7.64 -1.26 -4.91 113.62 127.64 3i8c n SER 755 Ca 0.10 -0.56 0.08 0.00 1.01 0.00 0.00 58.87 59.50 3i8c n SER 755 Cb 0.47 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.70 3i8c n SER 755 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i8c h ALA 756 N -0.57 0.68 0.00 -0.43 0.00 -1.79 -3.03 119.26 114.12 3i8c h ALA 756 Ca 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 3i8c h ALA 756 Cb 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3i8c h ALA 756 CO 0.00 0.29 -0.68 0.66 0.00 0.00 0.00 179.25 179.52 3i8c h SER 757 N 0.00 0.00 0.19 0.00 4.64 -1.95 -2.92 113.55 113.51 3i8c h SER 757 Ca -0.04 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.06 3i8c h SER 757 Cb 1.19 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.23 3i8c h SER 757 CO 0.02 0.68 -2.03 0.35 -0.87 0.00 0.00 176.83 174.98 3i8c n THR 758 N -3.72 0.99 0.10 2.95 -2.24 -1.26 -3.93 114.28 107.16 3i8c n THR 758 Ca -0.01 -0.72 0.07 0.00 -2.27 0.00 0.00 64.05 61.12 3i8c n THR 758 Cb 0.67 -0.43 0.25 0.00 -2.10 0.00 0.00 70.33 68.72 3i8c n THR 758 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8c n GLN 759 N -2.67 2.80 -1.63 -0.78 1.13 -1.14 -4.92 117.38 110.17 3i8c n GLN 759 Ca -0.19 -1.97 -0.40 0.00 -1.94 0.00 0.00 57.00 52.50 3i8c n GLN 759 Cb 0.92 -1.66 0.03 0.00 0.11 0.00 0.00 30.24 29.65 3i8c n GLN 759 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i8c n ALA 760 N 0.76 0.42 0.22 -1.58 0.00 -1.10 -4.92 120.51 114.30 3i8c n ALA 760 Ca 0.18 0.14 0.06 0.00 0.00 0.00 0.00 53.44 53.82 3i8c n ALA 760 Cb 0.63 -2.13 0.50 0.00 0.00 0.00 0.00 19.45 18.45 3i8c n ALA 760 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i8c h LEU 761 N 1.20 0.00 -8.17 0.00 3.38 -1.23 -3.46 115.31 107.05 3i8c h LEU 761 Ca -0.47 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.40 3i8c h LEU 761 Cb 1.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.06 3i8c h LEU 761 CO 0.55 0.23 0.13 -0.94 0.09 0.00 0.00 178.44 178.49 3i8c s SER 762 N -6.78 0.29 -0.21 -0.43 1.04 -0.94 -5.03 113.70 101.63 3i8c s SER 762 Ca -0.03 -1.24 -0.28 0.00 0.48 0.00 0.00 55.95 54.88 3i8c s SER 762 Cb 0.15 0.79 0.14 0.00 0.10 0.00 0.00 66.02 67.19 3i8c s SER 762 CO 0.68 -1.56 1.07 -0.94 0.98 0.00 0.00 173.24 173.47 3i8c s SER 763 N -3.12 -0.34 0.28 7.02 1.04 -1.26 -2.53 113.70 114.80 3i8c s SER 763 Ca 0.20 0.47 0.10 0.00 0.48 0.00 0.00 55.95 57.20 3i8c s SER 763 Cb -0.04 0.41 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 3i8c s SER 763 CO 0.14 -0.24 -0.14 -0.44 0.98 0.00 0.00 173.24 173.53 3i8c s SER 764 N -0.68 3.35 0.28 7.02 0.01 0.38 -4.97 113.70 119.09 3i8c s SER 764 Ca 0.01 -1.09 0.10 0.00 1.31 0.00 0.00 55.95 56.27 3i8c s SER 764 Cb -0.02 -0.27 -0.05 0.00 0.21 0.00 0.00 66.02 65.89 3i8c s SER 764 CO -0.02 -0.11 -0.14 0.54 0.41 0.00 0.00 173.24 173.91 3i8c s VAL 765 N -2.68 2.15 0.17 3.43 0.11 -1.26 -1.76 120.40 120.56 3i8c s VAL 765 Ca 0.29 -2.28 -0.30 0.00 -2.93 0.00 0.00 61.98 56.76 3i8c s VAL 765 Cb -0.01 -2.34 -0.08 0.00 -1.53 0.00 0.00 36.38 32.42 3i8c s VAL 765 CO 0.14 -0.38 1.17 -0.55 -3.33 0.00 0.00 175.10 172.15 3i8c s SER 766 N -3.48 7.13 -0.11 3.54 0.15 0.10 -4.81 113.70 116.21 3i8c s SER 766 Ca 0.29 2.18 -0.09 0.00 0.70 0.00 0.00 55.95 59.03 3i8c s SER 766 Cb -0.01 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.64 3i8c s SER 766 CO 0.13 -0.35 -0.20 -1.54 1.20 0.00 0.00 173.24 172.48 3i8c n SER 767 N 2.61 1.33 0.00 5.45 3.41 -1.26 -4.85 113.62 120.31 3i8c n SER 767 Ca 0.04 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 3i8c n SER 767 Cb 0.45 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3i8c n SER 767 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3i8c n SER 768 N -3.86 0.00 -1.42 4.04 2.88 -1.26 -4.93 113.62 109.07 3i8c n SER 768 Ca -0.21 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.32 3i8c n SER 768 Cb 0.53 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.09 3i8c n SER 768 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3i8c n LYS 769 N 0.00 1.64 0.13 -1.46 4.76 -1.26 -4.86 118.16 117.11 3i8c n LYS 769 Ca 0.00 -3.19 0.11 0.00 -2.87 0.00 0.00 58.31 52.36 3i8c n LYS 769 Cb 0.00 -1.35 0.50 0.00 -1.84 0.00 0.00 35.03 32.34 3i8c n LYS 769 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3i8c n LEU 770 N -0.56 0.59 -4.43 -0.35 4.77 -1.26 -4.80 117.00 110.96 3i8c n LEU 770 Ca 0.19 0.68 -0.21 0.00 -0.03 0.00 0.00 56.01 56.65 3i8c n LEU 770 Cb 0.88 -0.65 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 3i8c n LEU 770 CO 0.07 -0.67 -0.36 -0.36 -1.33 0.00 0.00 177.39 174.74 3i8c s PHE 771 N -3.37 1.95 0.00 -1.77 0.40 -1.26 -5.10 117.98 108.83 3i8c s PHE 771 Ca 0.02 -0.72 0.00 0.00 -0.60 0.00 0.00 56.93 55.63 3i8c s PHE 771 Cb 0.08 -1.13 0.00 0.00 0.51 0.00 0.00 43.02 42.48 3i8c s PHE 771 CO 0.31 0.25 0.00 0.43 0.70 0.00 0.00 175.22 176.92 3i8c n SER 772 N -0.59 0.00 -4.42 1.36 7.64 -1.26 -5.23 113.62 111.12 3i8c n SER 772 Ca -0.05 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.39 3i8c n SER 772 Cb 0.64 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.75 3i8c n SER 772 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3i8c s SER 773 N -3.45 6.11 0.00 6.43 1.04 -1.26 -5.29 113.70 117.29 3i8c s SER 773 Ca 0.00 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.31 3i8c s SER 773 Cb 0.00 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.95 3i8c s SER 773 CO 0.00 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.29 3i8c n GLY 783 N 5.17 0.32 3.62 7.32 0.00 -1.22 -5.32 105.19 115.08 3i8c n GLY 783 Ca -0.12 0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3i8c n GLY 783 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i8c n GLU 784 N 0.00 1.23 -3.85 1.61 1.02 -1.26 -4.48 120.64 114.92 3i8c n GLU 784 Ca 0.00 0.45 -0.36 0.00 -0.02 0.00 0.00 57.16 57.23 3i8c n GLU 784 Cb 0.00 -2.12 -0.13 0.00 -0.02 0.00 0.00 31.44 29.16 3i8c n GLU 784 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3i8c s GLU 785 N -2.32 3.11 0.21 3.49 2.02 -1.26 -0.41 118.70 123.55 3i8c s GLU 785 Ca 0.68 -0.82 0.09 0.00 0.02 0.00 0.00 54.97 54.94 3i8c s GLU 785 Cb -0.49 -3.18 -0.04 0.00 0.10 0.00 0.00 34.13 30.51 3i8c s GLU 785 CO 0.53 -0.36 -0.06 0.54 0.02 0.00 0.00 175.26 175.93 3i8c s VAL 786 N 1.45 3.29 -0.04 2.63 0.11 -0.84 -4.95 120.40 122.04 3i8c s VAL 786 Ca 0.03 -1.76 -0.07 0.00 -2.93 0.00 0.00 61.98 57.25 3i8c s VAL 786 Cb -0.16 -2.68 -0.04 0.00 -1.53 0.00 0.00 36.38 31.96 3i8c s VAL 786 CO -0.01 -0.21 0.22 -1.61 -3.33 0.00 0.00 175.10 170.16 3i8c s GLU 787 N -3.15 3.53 -0.09 1.54 2.02 -1.26 -0.48 118.70 120.80 3i8c s GLU 787 Ca 0.28 -0.10 0.04 0.00 0.02 0.00 0.00 54.97 55.20 3i8c s GLU 787 Cb -0.08 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 31.02 3i8c s GLU 787 CO 0.17 0.71 -0.22 0.08 0.02 0.00 0.00 175.26 176.02 3i8c s VAL 788 N -1.18 1.88 -0.02 2.63 1.01 0.22 -4.64 120.40 120.29 3i8c s VAL 788 Ca 0.22 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3i8c s VAL 788 Cb -0.13 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 3i8c s VAL 788 CO 0.12 0.52 -0.04 -1.00 0.00 0.00 0.00 175.10 174.70 3i8c s HIS 789 N 0.42 2.98 0.03 5.22 3.76 -1.26 -0.79 115.29 125.66 3i8c s HIS 789 Ca -0.18 0.03 -0.00 0.00 -0.15 0.00 0.00 55.06 54.76 3i8c s HIS 789 Cb -0.17 -1.67 -0.03 0.00 1.11 0.00 0.00 32.58 31.82 3i8c s HIS 789 CO 0.08 0.40 -0.03 -0.80 -0.85 0.00 0.00 174.74 173.54 3i8c s ASN 790 N -1.29 0.34 -0.27 1.40 0.01 -0.22 -1.53 114.94 113.38 3i8c s ASN 790 Ca 0.17 -0.66 -0.10 0.00 -0.71 0.00 0.00 52.86 51.56 3i8c s ASN 790 Cb -0.11 0.13 -0.04 0.00 0.41 0.00 0.00 41.25 41.64 3i8c s ASN 790 CO 0.07 -0.39 0.15 -0.22 -1.51 0.00 0.00 177.10 175.19 3i8c s LEU 791 N -1.93 3.83 0.09 0.60 2.96 -0.47 -1.06 118.68 122.71 3i8c s LEU 791 Ca -0.09 -0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 53.69 3i8c s LEU 791 Cb -0.04 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 3i8c s LEU 791 CO -0.04 -0.05 0.31 -0.76 -1.32 0.00 0.00 176.35 174.49 3i8c s LEU 792 N 1.71 4.32 -0.25 -0.68 1.43 0.94 -1.25 118.68 124.89 3i8c s LEU 792 Ca 0.07 0.49 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 3i8c s LEU 792 Cb -0.16 -3.08 0.05 0.00 0.03 0.00 0.00 46.19 43.03 3i8c s LEU 792 CO 0.08 0.13 -0.12 -0.63 0.23 0.00 0.00 176.35 176.04 3i8c s ILE 793 N -1.54 2.16 -0.18 -0.59 -1.09 0.11 -2.32 121.20 117.74 3i8c s ILE 793 Ca 0.37 -1.55 -0.05 0.00 -2.23 0.00 0.00 60.65 57.19 3i8c s ILE 793 Cb -0.13 -2.23 -0.03 0.00 -1.58 0.00 0.00 42.46 38.50 3i8c s ILE 793 CO 0.24 0.04 0.00 -0.63 -1.23 0.00 0.00 174.94 173.37 3i8c s ILE 794 N 1.13 4.16 0.11 2.92 1.09 -0.31 0.21 121.20 130.51 3i8c s ILE 794 Ca -0.07 -0.25 -0.31 0.00 -1.10 0.00 0.00 60.65 58.92 3i8c s ILE 794 Cb -0.19 -2.86 -0.09 0.00 -1.06 0.00 0.00 42.46 38.26 3i8c s ILE 794 CO -0.06 0.46 1.61 -0.62 -0.10 0.00 0.00 174.94 176.23 3i8c s ASP 795 N 0.58 6.60 0.51 3.58 -1.08 -0.50 -1.01 116.67 125.34 3i8c s ASP 795 Ca -0.00 2.54 0.25 0.00 -0.52 0.00 0.00 52.55 54.82 3i8c s ASP 795 Cb -0.14 -2.58 1.37 0.00 -1.46 0.00 0.00 42.92 40.12 3i8c s ASP 795 CO 0.02 -0.86 2.05 0.06 0.52 0.00 0.00 175.17 176.97 3i8c h GLN 796 N 7.65 0.00 0.01 4.34 3.07 -1.83 -0.29 115.11 128.05 3i8c h GLN 796 Ca -0.43 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.11 3i8c h GLN 796 Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.74 3i8c h GLN 796 CO 0.92 0.13 -1.09 0.45 0.09 0.00 0.00 178.83 179.34 3i8c h HIS 797 N 0.00 0.03 0.00 0.06 3.86 -1.90 -3.39 115.15 113.80 3i8c h HIS 797 Ca -0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3i8c h HIS 797 Cb 0.34 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.81 3i8c h HIS 797 CO 0.00 1.43 -0.80 0.25 0.86 0.00 0.00 177.93 179.67 3i8c n THR 798 N -4.42 0.12 -3.64 2.45 -2.24 -1.24 -4.98 114.28 100.33 3i8c n THR 798 Ca -0.28 -0.14 -0.27 0.00 -2.27 0.00 0.00 64.05 61.08 3i8c n THR 798 Cb 0.67 0.27 0.02 0.00 -2.10 0.00 0.00 70.33 69.19 3i8c n THR 798 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3i8c n PHE 799 N -1.78 -2.12 -3.26 4.78 3.01 -0.12 -4.99 117.46 112.98 3i8c n PHE 799 Ca 0.03 0.74 -0.39 0.00 1.01 0.00 0.00 57.45 58.84 3i8c n PHE 799 Cb 0.39 -3.77 -0.06 0.00 -0.01 0.00 0.00 39.48 36.03 3i8c n PHE 799 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3i8c s GLU 800 N -6.34 4.24 -0.69 -1.08 2.02 -1.26 -4.80 118.70 110.80 3i8c s GLU 800 Ca 0.55 0.69 -0.26 0.00 0.02 0.00 0.00 54.97 55.97 3i8c s GLU 800 Cb -0.28 -3.30 -0.08 0.00 0.10 0.00 0.00 34.13 30.58 3i8c s GLU 800 CO 0.68 0.49 2.24 0.08 0.02 0.00 0.00 175.26 178.77 3i8c s VAL 801 N -0.59 3.14 0.03 2.63 1.01 -1.26 -1.42 120.40 123.94 3i8c s VAL 801 Ca 0.29 -0.03 -0.23 0.00 0.00 0.00 0.00 61.98 62.01 3i8c s VAL 801 Cb -0.18 -3.35 -0.13 0.00 0.00 0.00 0.00 36.38 32.72 3i8c s VAL 801 CO 0.17 -0.33 1.21 -0.07 0.00 0.00 0.00 175.10 176.08 3i8c h LEU 802 N 19.79 -0.71 -8.85 3.92 3.38 0.21 -1.96 115.31 131.09 3i8c h LEU 802 Ca -0.10 0.02 -0.54 0.00 0.09 0.00 0.00 57.88 57.35 3i8c h LEU 802 Cb 1.11 0.18 -0.18 0.00 0.09 0.00 0.00 40.66 41.87 3i8c h LEU 802 CO 1.13 -0.46 -0.79 -2.28 0.09 0.00 0.00 178.44 176.13 3i8c s HIS 803 N -4.60 1.90 -0.06 1.13 5.04 -1.16 -2.21 115.29 115.33 3i8c s HIS 803 Ca -0.12 -0.45 0.00 0.00 -1.54 0.00 0.00 55.06 52.95 3i8c s HIS 803 Cb 0.01 -0.95 0.02 0.00 0.04 0.00 0.00 32.58 31.71 3i8c s HIS 803 CO 0.37 0.35 -0.04 0.00 -2.34 0.00 0.00 174.74 173.08 3i8c s ALA 804 N -1.95 0.75 -0.22 1.58 0.00 -1.05 0.05 121.76 120.93 3i8c s ALA 804 Ca 0.16 -0.12 -0.08 0.00 0.00 0.00 0.00 51.96 51.92 3i8c s ALA 804 Cb -0.06 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 3i8c s ALA 804 CO 0.07 -0.14 0.08 -1.58 0.00 0.00 0.00 175.76 174.19 3i8c s HIS 805 N 1.21 3.20 -0.09 0.00 2.46 -0.38 -0.47 115.29 121.22 3i8c s HIS 805 Ca -0.06 -0.05 -0.10 0.00 0.47 0.00 0.00 55.06 55.31 3i8c s HIS 805 Cb -0.14 -2.17 -0.05 0.00 -0.13 0.00 0.00 32.58 30.10 3i8c s HIS 805 CO -0.02 -0.03 0.25 -1.14 -2.47 0.00 0.00 174.74 171.33 3i8c s GLN 806 N 0.92 3.72 0.82 2.88 0.74 -0.72 -1.36 119.66 126.65 3i8c s GLN 806 Ca 0.04 0.08 -0.05 0.00 0.05 0.00 0.00 55.36 55.48 3i8c s GLN 806 Cb -0.14 -3.23 0.17 0.00 1.10 0.00 0.00 33.01 30.91 3i8c s GLN 806 CO 0.03 0.68 1.13 -0.06 -0.55 0.00 0.00 175.29 176.51 3i8c s PHE 807 N -0.84 1.26 0.85 1.67 0.40 -0.58 0.02 117.98 120.76 3i8c s PHE 807 Ca 0.18 -0.21 -0.11 0.00 -0.60 0.00 0.00 56.93 56.19 3i8c s PHE 807 Cb -0.14 -3.36 0.11 0.00 0.51 0.00 0.00 43.02 40.14 3i8c s PHE 807 CO 0.07 -2.16 1.09 -0.51 0.70 0.00 0.00 175.22 174.42 3i8c s LEU 808 N -5.42 2.59 -0.22 -0.37 1.43 -1.26 -4.64 118.68 110.78 3i8c s LEU 808 Ca 0.71 1.69 -0.28 0.00 -1.03 0.00 0.00 54.13 55.22 3i8c s LEU 808 Cb -0.03 -4.21 -0.05 0.00 0.03 0.00 0.00 46.19 41.93 3i8c s LEU 808 CO 0.48 -2.48 2.21 -1.58 0.23 0.00 0.00 176.35 175.20 3i8c s GLN 809 N -4.88 3.13 0.00 1.70 0.74 -1.26 -1.69 119.66 117.40 3i8c s GLN 809 Ca 0.63 2.00 0.00 0.00 0.05 0.00 0.00 55.36 58.04 3i8c s GLN 809 Cb -0.18 -4.37 0.00 0.00 1.10 0.00 0.00 33.01 29.56 3i8c s GLN 809 CO 0.57 -2.11 0.00 0.09 -0.55 0.00 0.00 175.29 173.29 3i8c n ASN 810 N 11.69 -2.47 -4.65 6.67 3.02 -1.26 -4.95 115.26 123.31 3i8c n ASN 810 Ca 0.30 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.42 3i8c n ASN 810 Cb 0.45 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 39.19 3i8c n ASN 810 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3i8c s GLU 811 N -0.40 4.15 -0.21 3.52 2.12 -0.68 -1.61 118.70 125.59 3i8c s GLU 811 Ca 0.00 1.37 -0.10 0.00 0.36 0.00 0.00 54.97 56.60 3i8c s GLU 811 Cb 0.00 -3.74 -0.05 0.00 0.26 0.00 0.00 34.13 30.60 3i8c s GLU 811 CO 0.00 -0.79 0.13 0.71 -0.54 0.00 0.00 175.26 174.77 3i8c s TYR 812 N 3.58 3.38 -0.37 5.30 2.02 -0.14 -4.41 117.35 126.71 3i8c s TYR 812 Ca 0.50 0.29 -0.20 0.00 -0.37 0.00 0.00 57.07 57.29 3i8c s TYR 812 Cb -0.17 -2.18 0.00 0.00 -0.40 0.00 0.00 41.96 39.22 3i8c s TYR 812 CO 0.13 0.24 0.60 0.00 -1.57 0.00 0.00 175.55 174.95 3i8c s ALA 813 N 0.50 3.44 -0.05 3.71 0.00 -1.26 -0.88 121.76 127.22 3i8c s ALA 813 Ca 0.08 -0.97 0.09 0.00 0.00 0.00 0.00 51.96 51.16 3i8c s ALA 813 Cb -0.12 -3.15 -0.14 0.00 0.00 0.00 0.00 23.12 19.71 3i8c s ALA 813 CO -0.01 -1.39 0.14 1.28 0.00 0.00 0.00 175.76 175.78 3i8c n LEU 814 N 6.00 0.00 -4.07 0.00 4.77 -0.11 -4.94 117.00 118.64 3i8c n LEU 814 Ca -0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.84 3i8c n LEU 814 Cb 0.48 0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.56 3i8c n LEU 814 CO 0.49 0.10 -0.39 -0.94 -1.33 0.00 0.00 177.39 175.32 3i8c s SER 815 N -3.59 0.79 -0.10 -1.43 1.04 -0.79 -4.85 113.70 104.77 3i8c s SER 815 Ca -0.04 -0.67 -0.05 0.00 0.48 0.00 0.00 55.95 55.67 3i8c s SER 815 Cb 0.05 0.07 0.05 0.00 0.10 0.00 0.00 66.02 66.29 3i8c s SER 815 CO 0.40 -0.30 0.23 -0.22 0.98 0.00 0.00 173.24 174.33 3i8c s LEU 816 N -1.97 0.34 0.24 2.42 2.96 -1.26 -1.29 118.68 120.13 3i8c s LEU 816 Ca -0.05 0.50 0.01 0.00 -0.22 0.00 0.00 54.13 54.38 3i8c s LEU 816 Cb -0.05 0.68 -0.05 0.00 0.50 0.00 0.00 46.19 47.26 3i8c s LEU 816 CO -0.02 -0.18 0.08 0.68 -1.32 0.00 0.00 176.35 175.59 3i8c s VAL 817 N 1.43 0.61 -0.35 1.68 -7.23 0.31 -4.90 120.40 111.96 3i8c s VAL 817 Ca -0.08 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.09 3i8c s VAL 817 Cb -0.11 -2.55 0.12 0.00 0.56 0.00 0.00 36.38 34.41 3i8c s VAL 817 CO -0.08 -0.09 0.17 -0.55 -0.31 0.00 0.00 175.10 174.24 3i8c s SER 818 N -3.29 3.48 0.26 4.85 0.15 -1.26 -0.20 113.70 117.69 3i8c s SER 818 Ca 0.35 -1.97 0.03 0.00 0.70 0.00 0.00 55.95 55.05 3i8c s SER 818 Cb 0.07 -0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 63.72 3i8c s SER 818 CO 0.12 -0.35 0.19 0.00 1.20 0.00 0.00 173.24 174.40 3i8c s LYS 820 N -3.85 3.06 0.05 0.00 1.02 -1.26 0.59 119.74 119.35 3i8c s LYS 820 Ca 0.39 -0.37 0.06 0.00 0.02 0.00 0.00 55.97 56.08 3i8c s LYS 820 Cb 0.05 -2.87 -0.03 0.00 -0.52 0.00 0.00 37.83 34.46 3i8c s LYS 820 CO 0.19 0.71 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.67 3i8c s LEU 821 N -0.98 2.78 0.00 3.17 1.43 -1.26 -4.73 118.68 119.09 3i8c s LEU 821 Ca 0.14 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3i8c s LEU 821 Cb -0.11 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.49 3i8c s LEU 821 CO 0.03 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.47 3i8c n GLY 822 N 1.38 1.21 0.23 -3.19 0.00 0.37 -2.68 105.19 102.51 3i8c n GLY 822 Ca -0.16 -0.50 0.04 0.00 0.00 0.00 0.00 46.02 45.40 3i8c n GLY 822 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i8c h LYS 823 N 0.00 0.09 -6.08 1.61 6.56 -1.90 -3.45 116.57 113.40 3i8c h LYS 823 Ca 0.00 -0.02 -0.79 0.00 -1.06 0.00 0.00 60.65 58.78 3i8c h LYS 823 Cb 0.00 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 31.66 3i8c h LYS 823 CO 0.00 0.25 0.87 -3.47 -2.06 0.00 0.00 179.45 175.04 3i8c n ASP 824 N -4.31 1.92 -0.78 0.86 -0.08 -1.09 -4.91 116.55 108.15 3i8c n ASP 824 Ca -0.02 1.07 0.09 0.00 -1.51 0.00 0.00 54.79 54.42 3i8c n ASP 824 Cb 0.25 -1.05 0.25 0.00 2.34 0.00 0.00 41.12 42.91 3i8c n ASP 824 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3i8c n PRO 825 N 5.13 2.00 -2.71 -0.67 -0.04 -1.26 -4.18 135.00 133.26 3i8c n PRO 825 Ca 0.30 -1.53 -0.33 0.00 -0.04 0.00 0.00 63.50 61.90 3i8c n PRO 825 Cb 0.06 -1.38 -0.06 0.00 -0.04 0.00 0.00 33.50 32.08 3i8c n PRO 825 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3i8c s ASN 826 N -1.23 6.82 -0.22 3.54 -0.87 -1.26 -5.07 114.94 116.65 3i8c s ASN 826 Ca 0.32 1.61 -0.09 0.00 -1.57 0.00 0.00 52.86 53.13 3i8c s ASN 826 Cb 0.17 -2.52 -0.05 0.00 -0.02 0.00 0.00 41.25 38.84 3i8c s ASN 826 CO 0.23 -0.42 0.12 -0.89 -2.57 0.00 0.00 177.10 173.57 3i8c s THR 827 N -2.31 5.14 0.29 1.60 2.01 -1.26 -4.28 115.64 116.82 3i8c s THR 827 Ca 0.60 0.10 0.08 0.00 0.31 0.00 0.00 61.69 62.78 3i8c s THR 827 Cb -0.09 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 3i8c s THR 827 CO 0.19 0.39 0.21 -0.31 -0.69 0.00 0.00 174.62 174.41 3i8c s TYR 828 N 0.81 2.95 -0.28 4.92 1.51 0.20 -4.74 117.35 122.73 3i8c s TYR 828 Ca 0.06 -0.22 -0.09 0.00 -1.01 0.00 0.00 57.07 55.82 3i8c s TYR 828 Cb -0.13 -1.55 -0.02 0.00 -0.11 0.00 0.00 41.96 40.15 3i8c s TYR 828 CO 0.02 0.39 0.12 -0.06 -1.11 0.00 0.00 175.55 174.91 3i8c s PHE 829 N -2.25 3.14 -0.15 2.71 0.08 0.01 -1.70 117.98 119.83 3i8c s PHE 829 Ca 0.36 -0.41 -0.01 0.00 0.12 0.00 0.00 56.93 57.00 3i8c s PHE 829 Cb -0.06 -2.30 -0.01 0.00 -0.57 0.00 0.00 43.02 40.08 3i8c s PHE 829 CO 0.25 -0.37 -0.12 0.42 -0.10 0.00 0.00 175.22 175.30 3i8c s ILE 830 N 1.63 2.99 -0.24 0.64 1.01 0.72 -1.61 121.20 126.34 3i8c s ILE 830 Ca 0.06 -0.67 -0.02 0.00 0.00 0.00 0.00 60.65 60.02 3i8c s ILE 830 Cb -0.16 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 40.06 3i8c s ILE 830 CO 0.06 0.51 -0.07 -0.69 0.00 0.00 0.00 174.94 174.74 3i8c s VAL 831 N 0.63 2.85 0.06 2.92 1.01 -0.99 -0.53 120.40 126.36 3i8c s VAL 831 Ca -0.07 -0.98 -0.24 0.00 0.00 0.00 0.00 61.98 60.69 3i8c s VAL 831 Cb -0.15 -2.42 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 3i8c s VAL 831 CO 0.03 0.24 0.74 -0.83 0.00 0.00 0.00 175.10 175.27 3i8c s GLY 832 N 1.33 2.79 0.00 4.51 0.00 -0.41 -2.60 107.32 112.94 3i8c s GLY 832 Ca 0.01 0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.98 3i8c s GLY 832 CO -0.05 0.98 0.00 -1.30 0.00 0.00 0.00 173.10 172.73 3i8c n THR 833 N 2.51 0.00 -3.64 0.90 -2.24 -0.24 -0.94 114.28 110.64 3i8c n THR 833 Ca -0.04 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.65 3i8c n THR 833 Cb 0.50 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 3i8c n THR 833 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8c s ALA 834 N -2.00 -1.96 0.10 6.98 0.00 -0.06 -2.03 121.76 122.79 3i8c s ALA 834 Ca 0.00 1.90 -0.17 0.00 0.00 0.00 0.00 51.96 53.68 3i8c s ALA 834 Cb 0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 23.12 21.63 3i8c s ALA 834 CO 0.00 -0.25 0.56 -1.64 0.00 0.00 0.00 175.76 174.44 3i8c s MET 835 N 0.26 4.11 -0.03 0.00 -1.94 -0.37 -0.97 119.30 120.36 3i8c s MET 835 Ca 0.03 0.64 0.01 0.00 -1.71 0.00 0.00 55.69 54.66 3i8c s MET 835 Cb -0.05 -3.11 0.02 0.00 2.01 0.00 0.00 34.83 33.70 3i8c s MET 835 CO -0.06 0.57 -0.03 0.08 -0.01 0.00 0.00 175.02 175.58 3i8c s VAL 836 N -1.26 0.36 0.01 -6.03 1.01 -0.64 -4.56 120.40 109.30 3i8c s VAL 836 Ca 0.33 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 3i8c s VAL 836 Cb -0.18 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 3i8c s VAL 836 CO 0.19 0.17 -0.00 -0.31 0.00 0.00 0.00 175.10 175.15 3i8c s TYR 837 N 0.77 0.14 0.16 5.22 1.51 -1.26 -4.89 117.35 119.00 3i8c s TYR 837 Ca -0.09 -0.28 -0.22 0.00 -1.01 0.00 0.00 57.07 55.46 3i8c s TYR 837 Cb -0.12 -0.11 0.04 0.00 -0.11 0.00 0.00 41.96 41.67 3i8c s TYR 837 CO -0.01 -0.12 1.62 -1.35 -1.11 0.00 0.00 175.55 174.58 3i8c h PRO 838 N 5.22 -0.23 -0.46 -1.71 0.11 -2.00 -2.87 132.00 130.06 3i8c h PRO 838 Ca -0.29 0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.93 3i8c h PRO 838 Cb 1.21 0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.28 3i8c h PRO 838 CO 0.45 -0.16 -0.20 1.05 -0.21 0.00 0.00 178.00 178.92 3i8c h GLU 839 N -0.24 -0.10 -6.98 1.05 9.09 -2.02 -3.43 114.58 111.94 3i8c h GLU 839 Ca 0.15 0.01 -0.53 0.00 0.05 0.00 0.00 59.36 59.04 3i8c h GLU 839 Cb 0.48 0.02 0.09 0.00 -1.65 0.00 0.00 28.75 27.70 3i8c h GLU 839 CO -0.43 -0.07 0.59 -1.21 0.05 0.00 0.00 179.01 177.94 3i8c s GLU 840 N -6.14 3.71 -0.02 1.06 2.02 -1.08 -4.95 118.70 113.30 3i8c s GLU 840 Ca -0.14 2.12 -0.24 0.00 0.02 0.00 0.00 54.97 56.73 3i8c s GLU 840 Cb 0.16 -2.56 -0.17 0.00 0.10 0.00 0.00 34.13 31.65 3i8c s GLU 840 CO 0.71 -0.69 1.16 0.00 0.02 0.00 0.00 175.26 176.45 3i8c h ALA 841 N 2.24 -0.22 -3.13 5.21 0.00 -1.85 -3.46 119.26 118.05 3i8c h ALA 841 Ca -0.50 -0.21 -0.27 0.00 0.00 0.00 0.00 54.91 53.93 3i8c h ALA 841 Cb 1.26 0.09 -0.21 0.00 0.00 0.00 0.00 17.79 18.93 3i8c h ALA 841 CO 0.61 -0.39 -0.73 -2.00 0.00 0.00 0.00 179.25 176.73 3i8c s GLU 842 N -4.24 0.53 0.62 0.00 2.12 -1.26 -5.10 118.70 111.36 3i8c s GLU 842 Ca -0.14 -0.77 -0.14 0.00 0.36 0.00 0.00 54.97 54.28 3i8c s GLU 842 Cb 0.02 -0.27 -0.03 0.00 0.26 0.00 0.00 34.13 34.11 3i8c s GLU 842 CO 0.57 0.04 1.04 -1.25 -0.54 0.00 0.00 175.26 175.12 3i8c s PRO 843 N -1.63 3.34 0.00 4.30 0.04 -1.26 -4.96 135.00 134.82 3i8c s PRO 843 Ca -0.10 1.02 0.00 0.00 0.04 0.00 0.00 61.00 61.96 3i8c s PRO 843 Cb -0.10 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3i8c s PRO 843 CO 0.00 -0.78 0.63 0.36 0.04 0.00 0.00 177.00 177.25 3i8c n LYS 844 N -2.40 0.97 -3.67 4.56 0.00 -1.26 -4.29 118.16 112.06 3i8c n LYS 844 Ca 0.08 -0.80 -0.10 0.00 -0.00 0.00 0.00 58.31 57.48 3i8c n LYS 844 Cb 0.53 -0.70 -0.05 0.00 -0.00 0.00 0.00 35.03 34.81 3i8c n LYS 844 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 3i8c s GLN 845 N -0.34 1.01 0.00 -1.58 -2.07 -1.25 -2.99 119.66 112.44 3i8c s GLN 845 Ca 0.00 -0.71 0.00 0.00 -1.82 0.00 0.00 55.36 52.83 3i8c s GLN 845 Cb 0.00 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.36 3i8c s GLN 845 CO 0.00 -0.38 0.00 0.41 -1.32 0.00 0.00 175.29 174.00 3i8c n GLY 846 N -0.11 -0.28 3.19 2.60 0.00 -0.78 -1.24 105.19 108.56 3i8c n GLY 846 Ca -0.16 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.76 3i8c n GLY 846 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3i8c s ARG 847 N -2.00 0.98 -0.15 1.61 1.70 -1.26 0.29 118.95 120.11 3i8c s ARG 847 Ca 0.00 -1.46 -0.01 0.00 -0.47 0.00 0.00 55.73 53.79 3i8c s ARG 847 Cb 0.00 -0.04 -0.02 0.00 -0.57 0.00 0.00 34.95 34.32 3i8c s ARG 847 CO 0.00 -0.16 -0.10 0.42 -1.08 0.00 0.00 175.30 174.38 3i8c s ILE 848 N -3.81 3.23 -0.11 4.99 1.01 -0.21 -1.08 121.20 125.22 3i8c s ILE 848 Ca 0.21 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.30 3i8c s ILE 848 Cb 0.07 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 3i8c s ILE 848 CO 0.01 0.50 -0.20 -0.69 0.00 0.00 0.00 174.94 174.57 3i8c s VAL 849 N 0.56 2.46 -0.11 2.92 1.01 -1.07 -1.40 120.40 124.78 3i8c s VAL 849 Ca -0.07 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 3i8c s VAL 849 Cb -0.15 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 3i8c s VAL 849 CO 0.03 0.55 -0.01 -0.69 0.00 0.00 0.00 175.10 174.98 3i8c s VAL 850 N 0.31 4.20 0.03 2.92 1.01 0.50 -2.35 120.40 127.02 3i8c s VAL 850 Ca -0.15 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3i8c s VAL 850 Cb -0.17 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 3i8c s VAL 850 CO 0.07 0.57 -0.08 -0.36 0.00 0.00 0.00 175.10 175.30 3i8c s PHE 851 N -0.53 0.70 -0.04 5.22 0.40 -0.63 0.22 117.98 123.32 3i8c s PHE 851 Ca 0.09 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 3i8c s PHE 851 Cb -0.12 -0.43 0.02 0.00 0.51 0.00 0.00 43.02 43.00 3i8c s PHE 851 CO 0.02 -0.04 -0.06 -1.14 0.70 0.00 0.00 175.22 174.70 3i8c s GLN 852 N -1.07 0.98 -0.20 0.44 0.74 -0.76 -0.81 119.66 118.99 3i8c s GLN 852 Ca -0.04 -0.18 -0.14 0.00 0.05 0.00 0.00 55.36 55.05 3i8c s GLN 852 Cb -0.07 -0.92 -0.04 0.00 1.10 0.00 0.00 33.01 33.07 3i8c s GLN 852 CO 0.00 -0.04 0.31 -0.47 -0.55 0.00 0.00 175.29 174.55 3i8c s TYR 853 N 0.76 3.39 0.00 1.67 5.04 -1.26 -0.44 117.35 126.51 3i8c s TYR 853 Ca -0.11 0.52 0.00 0.00 -2.44 0.00 0.00 57.07 55.04 3i8c s TYR 853 Cb -0.14 -2.41 0.00 0.00 0.35 0.00 0.00 41.96 39.76 3i8c s TYR 853 CO 0.01 0.08 0.00 0.43 -1.34 0.00 0.00 175.55 174.73 3i8c n SER 854 N 4.16 0.00 0.13 4.32 7.64 -0.20 -4.96 113.62 124.70 3i8c n SER 854 Ca -0.11 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.71 3i8c n SER 854 Cb 0.51 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 3i8c n SER 854 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3i8c h ASP 855 N 0.00 -0.33 0.00 6.43 3.32 -2.02 -3.43 116.42 120.38 3i8c h ASP 855 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3i8c h ASP 855 Cb 0.00 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3i8c h ASP 855 CO 0.00 0.02 -0.04 0.61 -1.72 0.00 0.00 179.24 178.11 3i8c n GLY 856 N 0.62 -2.20 3.81 2.75 0.00 -1.26 -5.12 105.19 103.79 3i8c n GLY 856 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 3i8c n GLY 856 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8c s LYS 857 N 0.00 2.96 -0.43 1.61 -0.14 -1.26 -4.96 119.74 117.51 3i8c s LYS 857 Ca 0.00 -0.79 0.02 0.00 -1.36 0.00 0.00 55.97 53.85 3i8c s LYS 857 Cb 0.00 -2.71 0.13 0.00 -1.68 0.00 0.00 37.83 33.57 3i8c s LYS 857 CO 0.00 0.51 0.21 -1.17 -0.76 0.00 0.00 175.35 174.15 3i8c s LEU 858 N -2.91 3.16 -0.27 3.17 1.98 -1.25 -1.04 118.68 121.51 3i8c s LEU 858 Ca 0.31 -2.56 -0.20 0.00 -2.89 0.00 0.00 54.13 48.79 3i8c s LEU 858 Cb -0.11 -1.20 -0.02 0.00 0.66 0.00 0.00 46.19 45.53 3i8c s LEU 858 CO 0.24 -0.28 0.60 -1.58 -1.89 0.00 0.00 176.35 173.43 3i8c s GLN 859 N 0.40 4.04 -0.72 1.98 0.74 0.41 -4.89 119.66 121.61 3i8c s GLN 859 Ca 0.16 0.41 -0.25 0.00 0.05 0.00 0.00 55.36 55.73 3i8c s GLN 859 Cb -0.24 -3.67 -0.13 0.00 1.10 0.00 0.00 33.01 30.07 3i8c s GLN 859 CO -0.03 -0.44 2.41 2.41 -0.55 0.00 0.00 175.29 179.09 3i8c n THR 860 N 5.24 -0.03 0.05 -0.34 -1.04 -1.26 -1.83 114.28 115.08 3i8c n THR 860 Ca -0.02 -0.58 -0.08 0.00 -2.04 0.00 0.00 64.05 61.34 3i8c n THR 860 Cb 0.49 -2.08 0.08 0.00 -1.82 0.00 0.00 70.33 67.00 3i8c n THR 860 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 3i8c h VAL 861 N 7.67 1.36 -1.62 12.58 2.07 -0.58 -3.47 116.25 134.27 3i8c h VAL 861 Ca -0.07 -1.96 0.06 0.00 0.82 0.00 0.00 66.70 65.55 3i8c h VAL 861 Cb 1.09 1.96 -0.26 0.00 -1.52 0.00 0.00 31.29 32.56 3i8c h VAL 861 CO 1.09 0.59 0.44 0.00 0.02 0.00 0.00 177.57 179.72 3i8c s ALA 862 N -3.80 -1.96 0.48 1.67 0.00 -0.90 -4.95 121.76 112.30 3i8c s ALA 862 Ca -0.05 1.86 0.05 0.00 0.00 0.00 0.00 51.96 53.82 3i8c s ALA 862 Cb 0.11 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 3i8c s ALA 862 CO 0.82 -0.24 0.16 -1.83 0.00 0.00 0.00 175.76 174.67 3i8c s GLU 863 N 0.16 2.20 -0.30 0.00 -1.05 -1.26 -0.37 118.70 118.07 3i8c s GLU 863 Ca 0.03 -2.12 -0.13 0.00 -0.15 0.00 0.00 54.97 52.60 3i8c s GLU 863 Cb -0.05 -1.82 0.15 0.00 -0.44 0.00 0.00 34.13 31.97 3i8c s GLU 863 CO -0.05 -0.33 0.84 0.21 0.95 0.00 0.00 175.26 176.87 3i8c s LYS 864 N -3.98 0.43 0.46 -4.83 2.47 -0.49 -4.73 119.74 109.06 3i8c s LYS 864 Ca 0.26 1.04 -0.16 0.00 -1.56 0.00 0.00 55.97 55.56 3i8c s LYS 864 Cb 0.02 0.59 -0.08 0.00 -1.46 0.00 0.00 37.83 36.90 3i8c s LYS 864 CO 0.15 -0.14 0.91 -2.00 0.16 0.00 0.00 175.35 174.42 3i8c s GLU 865 N 2.56 3.96 0.17 4.03 2.12 -1.26 -1.04 118.70 129.24 3i8c s GLU 865 Ca -0.05 0.85 -0.01 0.00 0.36 0.00 0.00 54.97 56.12 3i8c s GLU 865 Cb -0.08 -2.23 -0.04 0.00 0.26 0.00 0.00 34.13 32.04 3i8c s GLU 865 CO -0.18 -0.14 0.10 0.14 -0.54 0.00 0.00 175.26 174.64 3i8c s VAL 866 N -2.43 0.05 -0.41 3.70 -7.23 0.14 -4.86 120.40 109.36 3i8c s VAL 866 Ca 0.57 -1.97 0.05 0.00 -1.81 0.00 0.00 61.98 58.83 3i8c s VAL 866 Cb -0.10 -2.32 0.55 0.00 0.56 0.00 0.00 36.38 35.07 3i8c s VAL 866 CO 0.27 -0.18 1.71 0.29 -0.31 0.00 0.00 175.10 176.87 3i8c n LYS 867 N -0.20 2.27 -3.09 4.82 5.02 -1.26 -1.87 118.16 123.85 3i8c n LYS 867 Ca -0.01 -3.23 0.00 0.00 -2.02 0.00 0.00 58.31 53.05 3i8c n LYS 867 Cb 0.65 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 3i8c n LYS 867 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i8c n GLY 868 N -1.07 -1.25 3.69 0.72 0.00 -1.16 -3.88 105.19 102.24 3i8c n GLY 868 Ca 0.49 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 3i8c n GLY 868 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i8c s ALA 869 N -1.43 3.60 -0.89 4.61 0.00 -1.26 -3.40 121.76 122.99 3i8c s ALA 869 Ca 0.00 0.94 -0.21 0.00 0.00 0.00 0.00 51.96 52.70 3i8c s ALA 869 Cb 0.00 -3.62 0.10 0.00 0.00 0.00 0.00 23.12 19.60 3i8c s ALA 869 CO 0.00 -0.97 1.16 0.08 0.00 0.00 0.00 175.76 176.04 3i8c s VAL 870 N 2.50 4.46 0.07 0.00 1.01 -0.86 -2.38 120.40 125.20 3i8c s VAL 870 Ca 0.66 -1.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 3i8c s VAL 870 Cb -0.33 -4.82 -0.13 0.00 0.00 0.00 0.00 36.38 31.10 3i8c s VAL 870 CO 0.27 -1.59 1.34 1.88 0.00 0.00 0.00 175.10 177.00 3i8c h TYR 871 N 9.20 0.78 -3.86 5.22 -1.99 -1.72 -3.36 116.97 121.23 3i8c h TYR 871 Ca 0.07 -0.28 -0.10 0.00 2.00 0.00 0.00 58.73 60.42 3i8c h TYR 871 Cb 1.03 -0.14 -0.13 0.00 2.00 0.00 0.00 36.73 39.49 3i8c h TYR 871 CO 1.15 1.03 -0.32 -1.54 -0.00 0.00 0.00 178.16 178.48 3i8c s SER 872 N -6.60 0.05 -0.20 3.88 1.04 -1.25 -4.43 113.70 106.19 3i8c s SER 872 Ca -0.12 -0.83 -0.08 0.00 0.48 0.00 0.00 55.95 55.40 3i8c s SER 872 Cb 0.07 0.42 0.09 0.00 0.10 0.00 0.00 66.02 66.70 3i8c s SER 872 CO 0.83 -0.87 0.44 0.00 0.98 0.00 0.00 173.24 174.62 3i8c s MET 873 N -3.95 0.36 0.36 4.02 0.23 -1.26 -0.59 119.30 118.47 3i8c s MET 873 Ca 0.15 1.02 0.07 0.00 -1.03 0.00 0.00 55.69 55.90 3i8c s MET 873 Cb 0.03 0.29 -0.01 0.00 -1.53 0.00 0.00 34.83 33.62 3i8c s MET 873 CO -0.02 -0.23 0.44 0.54 -2.03 0.00 0.00 175.02 173.72 3i8c s VAL 874 N 2.37 3.63 -0.08 5.16 0.11 -0.72 -4.77 120.40 126.10 3i8c s VAL 874 Ca -0.04 -1.11 -0.14 0.00 -2.93 0.00 0.00 61.98 57.76 3i8c s VAL 874 Cb -0.11 -3.25 -0.05 0.00 -1.53 0.00 0.00 36.38 31.44 3i8c s VAL 874 CO -0.13 -0.12 0.36 -0.70 -3.33 0.00 0.00 175.10 171.18 3i8c s GLU 875 N -4.16 4.05 0.00 1.54 -6.30 -1.26 -2.28 118.70 110.29 3i8c s GLU 875 Ca 0.46 0.27 0.00 0.00 -2.50 0.00 0.00 54.97 53.21 3i8c s GLU 875 Cb -0.08 -3.32 0.00 0.00 0.00 0.00 0.00 34.13 30.73 3i8c s GLU 875 CO 0.30 0.46 0.00 0.34 0.02 0.00 0.00 175.26 176.39 3i8c n PHE 876 N 2.70 0.00 -3.33 5.30 7.35 0.31 -4.93 117.46 124.87 3i8c n PHE 876 Ca -0.13 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.31 3i8c n PHE 876 Cb 0.52 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.27 3i8c n PHE 876 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3i8c n ASN 877 N 0.00 1.45 0.00 -2.13 3.02 -1.26 -4.75 115.26 111.59 3i8c n ASN 877 Ca 0.00 -2.94 0.00 0.00 -0.03 0.00 0.00 54.58 51.61 3i8c n ASN 877 Cb 0.00 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.52 3i8c n ASN 877 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i8c n GLY 878 N 1.41 0.98 3.82 7.41 0.00 -1.26 -4.90 105.19 112.64 3i8c n GLY 878 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 3i8c n GLY 878 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8c s LYS 879 N -0.27 2.56 -0.18 1.61 1.02 -1.26 -0.48 119.74 122.73 3i8c s LYS 879 Ca 0.00 -1.45 -0.02 0.00 0.02 0.00 0.00 55.97 54.52 3i8c s LYS 879 Cb 0.00 -2.34 -0.01 0.00 -0.52 0.00 0.00 37.83 34.96 3i8c s LYS 879 CO 0.00 0.02 -0.09 -1.17 -0.92 0.00 0.00 175.35 173.19 3i8c s LEU 880 N -3.98 2.77 -0.10 3.17 2.96 -0.53 -0.53 118.68 122.44 3i8c s LEU 880 Ca 0.42 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 3i8c s LEU 880 Cb -0.04 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 3i8c s LEU 880 CO 0.26 0.05 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.97 3i8c s LEU 881 N 1.06 2.70 -0.14 -0.68 2.96 -0.97 0.78 118.68 124.38 3i8c s LEU 881 Ca 0.00 -0.28 -0.07 0.00 -0.22 0.00 0.00 54.13 53.56 3i8c s LEU 881 Cb -0.15 -1.58 0.06 0.00 0.50 0.00 0.00 46.19 45.02 3i8c s LEU 881 CO -0.01 0.24 0.33 0.00 -1.32 0.00 0.00 176.35 175.59 3i8c s ALA 882 N -0.09 -0.81 -0.03 5.97 0.00 -0.67 -1.76 121.76 124.36 3i8c s ALA 882 Ca -0.02 1.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.90 3i8c s ALA 882 Cb -0.14 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 3i8c s ALA 882 CO 0.04 -0.32 0.96 -1.54 0.00 0.00 0.00 175.76 174.90 3i8c s SER 883 N 1.56 7.31 -0.37 0.00 1.04 0.24 -2.44 113.70 121.05 3i8c s SER 883 Ca -0.08 1.59 0.00 0.00 0.48 0.00 0.00 55.95 57.95 3i8c s SER 883 Cb -0.10 -2.55 0.13 0.00 0.10 0.00 0.00 66.02 63.60 3i8c s SER 883 CO -0.11 -0.29 0.20 -0.63 0.98 0.00 0.00 173.24 173.40 3i8c s ILE 884 N 1.22 0.50 -0.24 -1.02 1.01 -1.10 -2.23 121.20 119.34 3i8c s ILE 884 Ca 0.50 -1.84 -0.20 0.00 0.00 0.00 0.00 60.65 59.11 3i8c s ILE 884 Cb -0.20 -1.37 0.03 0.00 0.01 0.00 0.00 42.46 40.93 3i8c s ILE 884 CO 0.25 -0.93 0.35 0.59 0.00 0.00 0.00 174.94 175.20 3i8c n ASN 885 N 4.06 -6.10 -4.09 3.58 5.03 -1.00 -2.75 115.26 113.98 3i8c n ASN 885 Ca 0.09 0.15 -0.32 0.00 0.87 0.00 0.00 54.58 55.37 3i8c n ASN 885 Cb 0.37 -1.80 -0.04 0.00 -1.02 0.00 0.00 39.78 37.30 3i8c n ASN 885 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3i8c n SER 886 N 0.50 -0.94 -3.01 6.41 3.41 -1.26 -4.92 113.62 113.81 3i8c n SER 886 Ca -0.04 -1.16 0.03 0.00 -0.26 0.00 0.00 58.87 57.44 3i8c n SER 886 Cb 0.58 -2.29 0.00 0.00 -0.26 0.00 0.00 64.21 62.24 3i8c n SER 886 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3i8c s THR 887 N -4.01 -0.47 0.13 6.66 2.01 -1.11 -4.64 115.64 114.20 3i8c s THR 887 Ca 0.13 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 3i8c s THR 887 Cb -0.06 -0.20 -0.07 0.00 0.01 0.00 0.00 72.50 72.18 3i8c s THR 887 CO 0.94 0.00 1.17 -0.69 -0.69 0.00 0.00 174.62 175.36 3i8c s VAL 888 N 2.34 3.85 0.09 3.82 1.01 -0.05 -2.72 120.40 128.75 3i8c s VAL 888 Ca 0.18 1.45 0.07 0.00 0.00 0.00 0.00 61.98 63.68 3i8c s VAL 888 Cb -0.01 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 3i8c s VAL 888 CO -0.17 0.18 -0.17 -0.60 0.00 0.00 0.00 175.10 174.34 3i8c s ARG 889 N 0.31 0.98 -0.45 2.72 3.52 -1.02 -1.61 118.95 123.40 3i8c s ARG 889 Ca 0.55 -1.07 0.03 0.00 -0.13 0.00 0.00 55.73 55.10 3i8c s ARG 889 Cb -0.30 -1.09 0.13 0.00 -1.56 0.00 0.00 34.95 32.12 3i8c s ARG 889 CO 0.33 0.25 0.22 -1.17 -0.81 0.00 0.00 175.30 174.12 3i8c s LEU 890 N -1.88 3.45 0.61 -0.88 2.96 -0.82 -1.68 118.68 120.44 3i8c s LEU 890 Ca 0.03 -2.68 -0.09 0.00 -0.22 0.00 0.00 54.13 51.17 3i8c s LEU 890 Cb -0.10 -1.30 -0.02 0.00 0.50 0.00 0.00 46.19 45.27 3i8c s LEU 890 CO 0.03 -0.27 0.98 -0.31 -1.32 0.00 0.00 176.35 175.46 3i8c s TYR 891 N 0.22 3.49 0.03 5.38 1.51 0.23 -2.99 117.35 125.22 3i8c s TYR 891 Ca 0.16 1.03 0.04 0.00 -1.01 0.00 0.00 57.07 57.30 3i8c s TYR 891 Cb -0.24 -2.72 -0.02 0.00 -0.11 0.00 0.00 41.96 38.87 3i8c s TYR 891 CO -0.02 -0.74 -0.13 -1.21 -1.11 0.00 0.00 175.55 172.34 3i8c s GLU 892 N -5.10 0.92 -0.40 -0.62 2.02 -0.42 -1.46 118.70 113.64 3i8c s GLU 892 Ca 0.54 -0.68 -0.18 0.00 0.02 0.00 0.00 54.97 54.66 3i8c s GLU 892 Cb -0.11 -0.91 0.01 0.00 0.10 0.00 0.00 34.13 33.23 3i8c s GLU 892 CO 0.50 0.23 0.52 -0.46 0.02 0.00 0.00 175.26 176.07 3i8c s TRP 893 N -0.75 3.14 1.07 1.61 -0.00 -1.26 -0.78 118.94 121.98 3i8c s TRP 893 Ca 0.02 -0.07 -0.12 0.00 -0.00 0.00 0.00 56.10 55.93 3i8c s TRP 893 Cb -0.07 -3.03 0.23 0.00 -0.00 0.00 0.00 33.47 30.61 3i8c s TRP 893 CO 0.01 -0.68 1.07 0.95 -0.00 0.00 0.00 176.95 178.30 3i8c s THR 894 N 2.42 2.06 0.25 5.86 -4.23 -0.48 -4.77 115.64 116.74 3i8c s THR 894 Ca 0.17 0.02 0.10 0.00 -1.18 0.00 0.00 61.69 60.80 3i8c s THR 894 Cb -0.16 -2.07 -0.05 0.00 1.34 0.00 0.00 72.50 71.57 3i8c s THR 894 CO 0.15 -0.02 1.57 0.71 -0.54 0.00 0.00 174.62 176.48 3i8c h THR 895 N -2.35 1.48 0.00 3.99 1.35 -1.97 -2.81 112.91 112.61 3i8c h THR 895 Ca -0.55 -2.29 0.00 0.00 -0.55 0.00 0.00 66.41 63.02 3i8c h THR 895 Cb 1.31 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 69.96 3i8c h THR 895 CO 0.47 0.65 0.00 -0.62 -0.25 0.00 0.00 175.52 175.78 3i8c n GLU 896 N -3.74 0.53 -2.87 4.72 1.02 -1.26 -4.92 120.64 114.13 3i8c n GLU 896 Ca -0.01 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.08 3i8c n GLU 896 Cb 0.66 -1.43 0.02 0.00 -0.02 0.00 0.00 31.44 30.67 3i8c n GLU 896 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3i8c n LYS 897 N -0.93 -1.42 -3.78 3.49 5.02 -1.06 -5.09 118.16 114.40 3i8c n LYS 897 Ca 0.11 1.09 -0.13 0.00 -2.02 0.00 0.00 58.31 57.36 3i8c n LYS 897 Cb 0.05 -5.10 -0.09 0.00 -0.02 0.00 0.00 35.03 29.87 3i8c n LYS 897 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3i8c s ASP 898 N -3.04 -0.17 -0.48 4.39 3.68 -1.26 -4.90 116.67 114.89 3i8c s ASP 898 Ca 0.16 0.09 -0.24 0.00 2.13 0.00 0.00 52.55 54.68 3i8c s ASP 898 Cb -0.02 0.32 0.03 0.00 -1.45 0.00 0.00 42.92 41.80 3i8c s ASP 898 CO 0.62 -0.41 0.89 0.68 0.13 0.00 0.00 175.17 177.08 3i8c s VAL 899 N -1.23 4.50 -0.09 1.11 -7.23 -1.26 -1.38 120.40 114.83 3i8c s VAL 899 Ca -0.13 0.52 0.03 0.00 -1.81 0.00 0.00 61.98 60.59 3i8c s VAL 899 Cb -0.05 -4.43 -0.02 0.00 0.56 0.00 0.00 36.38 32.44 3i8c s VAL 899 CO 0.04 -0.88 -0.17 0.00 -0.31 0.00 0.00 175.10 173.78 3i8c s ARG 900 N 3.67 2.91 0.75 4.82 1.04 0.04 -4.88 118.95 127.30 3i8c s ARG 900 Ca 0.33 -0.76 -0.15 0.00 -1.04 0.00 0.00 55.73 54.11 3i8c s ARG 900 Cb -0.11 -2.42 0.00 0.00 -2.04 0.00 0.00 34.95 30.38 3i8c s ARG 900 CO 0.23 0.36 0.78 2.41 -0.04 0.00 0.00 175.30 179.05 3i8c n THR 901 N 3.05 2.07 0.00 4.99 -1.04 -1.26 -1.30 114.28 120.79 3i8c n THR 901 Ca -0.18 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.49 3i8c n THR 901 Cb 0.52 -0.93 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 3i8c n THR 901 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3i8c n GLU 902 N -1.61 0.00 -3.73 -2.82 2.13 -1.16 -4.78 120.64 108.67 3i8c n GLU 902 Ca 0.11 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.91 3i8c n GLU 902 Cb 0.50 -0.78 -0.01 0.00 0.27 0.00 0.00 31.44 31.42 3i8c n GLU 902 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i8c s ASN 904 N -2.94 0.35 -0.04 0.00 0.01 -1.26 -1.94 114.94 109.12 3i8c s ASN 904 Ca 0.12 -1.16 0.01 0.00 -0.71 0.00 0.00 52.86 51.13 3i8c s ASN 904 Cb -0.00 0.28 0.02 0.00 0.41 0.00 0.00 41.25 41.95 3i8c s ASN 904 CO 0.01 -0.70 -0.06 -2.28 -1.51 0.00 0.00 177.10 172.56 3i8c s HIS 905 N -4.02 0.84 -1.08 2.20 5.65 -0.63 -4.70 115.29 113.55 3i8c s HIS 905 Ca 0.20 -0.24 0.09 0.00 0.25 0.00 0.00 55.06 55.36 3i8c s HIS 905 Cb 0.08 -0.70 0.10 0.00 -1.18 0.00 0.00 32.58 30.87 3i8c s HIS 905 CO -0.01 -0.19 0.85 0.66 -0.65 0.00 0.00 174.74 175.40 3i8c n TYR 906 N 3.91 0.05 -0.94 3.88 4.02 -1.26 -0.87 117.16 125.95 3i8c n TYR 906 Ca -0.24 -0.07 -0.11 0.00 -0.01 0.00 0.00 57.90 57.46 3i8c n TYR 906 Cb 0.51 -0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.67 3i8c n TYR 906 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3i8c n ASN 907 N 0.48 4.99 -3.96 7.72 4.05 -1.26 -4.79 115.26 122.49 3i8c n ASN 907 Ca 0.06 -2.43 -0.14 0.00 0.45 0.00 0.00 54.58 52.51 3i8c n ASN 907 Cb 0.25 -1.35 -0.14 0.00 1.23 0.00 0.00 39.78 39.78 3i8c n ASN 907 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 3i8c s ASN 908 N 2.05 0.53 0.11 1.20 0.01 -1.26 -5.02 114.94 112.55 3i8c s ASN 908 Ca 0.63 -0.17 -0.12 0.00 -0.71 0.00 0.00 52.86 52.49 3i8c s ASN 908 Cb 0.30 -0.03 -0.12 0.00 0.41 0.00 0.00 41.25 41.81 3i8c s ASN 908 CO 0.00 -0.01 1.36 0.40 -1.51 0.00 0.00 177.10 177.34 3i8c h ILE 909 N 4.94 1.28 -0.08 0.60 5.03 -1.92 -3.43 117.51 123.94 3i8c h ILE 909 Ca -0.29 -1.83 0.27 0.00 -0.12 0.00 0.00 64.86 62.90 3i8c h ILE 909 Cb 1.20 1.79 -0.19 0.00 -3.03 0.00 0.00 36.82 36.58 3i8c h ILE 909 CO 0.48 0.59 0.14 -0.32 -0.68 0.00 0.00 178.15 178.36 3i8c s MET 910 N -3.96 0.04 -0.30 2.37 0.00 -1.26 -4.54 119.30 111.65 3i8c s MET 910 Ca -0.11 0.05 -0.29 0.00 0.00 0.00 0.00 55.69 55.35 3i8c s MET 910 Cb 0.09 0.03 0.01 0.00 0.00 0.00 0.00 34.83 34.96 3i8c s MET 910 CO 0.90 -0.07 1.18 0.00 0.00 0.00 0.00 175.02 177.02 3i8c s ALA 911 N 2.99 3.46 -0.13 4.11 0.00 -1.26 -2.42 121.76 128.51 3i8c s ALA 911 Ca 0.19 0.05 0.11 0.00 0.00 0.00 0.00 51.96 52.31 3i8c s ALA 911 Cb -0.03 -3.71 -0.16 0.00 0.00 0.00 0.00 23.12 19.23 3i8c s ALA 911 CO -0.18 -1.57 0.04 1.28 0.00 0.00 0.00 175.76 175.33 3i8c n LEU 912 N 7.14 0.05 -4.01 0.00 4.77 -1.26 -4.62 117.00 119.07 3i8c n LEU 912 Ca 0.13 -0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.01 3i8c n LEU 912 Cb 0.47 0.30 -0.11 0.00 -2.33 0.00 0.00 43.42 41.74 3i8c n LEU 912 CO 0.60 0.32 -0.37 -0.31 -1.33 0.00 0.00 177.39 176.30 3i8c s TYR 913 N -2.31 0.38 0.07 -1.77 1.51 -1.26 -4.34 117.35 109.64 3i8c s TYR 913 Ca -0.06 -0.56 -0.08 0.00 -1.01 0.00 0.00 57.07 55.36 3i8c s TYR 913 Cb 0.04 -0.26 -0.01 0.00 -0.11 0.00 0.00 41.96 41.63 3i8c s TYR 913 CO 0.52 -0.17 0.16 -0.51 -1.11 0.00 0.00 175.55 174.43 3i8c s LEU 914 N -1.59 1.56 0.18 -1.29 1.43 -1.26 -4.23 118.68 113.48 3i8c s LEU 914 Ca -0.13 -0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 52.16 3i8c s LEU 914 Cb -0.09 0.90 0.03 0.00 0.03 0.00 0.00 46.19 47.07 3i8c s LEU 914 CO -0.01 -0.68 0.48 -0.54 0.23 0.00 0.00 176.35 175.83 3i8c s LYS 915 N -3.61 1.30 -0.03 1.70 -0.14 -1.24 -4.87 119.74 112.85 3i8c s LYS 915 Ca 0.03 -0.84 0.00 0.00 -1.36 0.00 0.00 55.97 53.81 3i8c s LYS 915 Cb 0.04 0.50 0.03 0.00 -1.68 0.00 0.00 37.83 36.72 3i8c s LYS 915 CO -0.10 -0.54 0.01 0.99 -0.76 0.00 0.00 175.35 174.96 3i8c s THR 916 N -3.86 0.11 -0.33 2.17 2.01 -1.26 -3.59 115.64 110.88 3i8c s THR 916 Ca 0.08 0.13 -0.11 0.00 0.31 0.00 0.00 61.69 62.10 3i8c s THR 916 Cb -0.00 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.28 3i8c s THR 916 CO -0.05 0.13 0.20 -0.75 -0.69 0.00 0.00 174.62 173.46 3i8c s LYS 917 N 1.07 3.35 0.00 4.92 2.36 -1.00 -4.95 119.74 125.49 3i8c s LYS 917 Ca -0.09 -0.73 0.00 0.00 -2.55 0.00 0.00 55.97 52.60 3i8c s LYS 917 Cb -0.13 -3.70 0.00 0.00 -1.05 0.00 0.00 37.83 32.94 3i8c s LYS 917 CO -0.02 -0.46 0.00 0.41 1.55 0.00 0.00 175.35 176.82 3i8c n GLY 918 N 5.04 0.00 0.00 5.54 0.00 -1.26 -3.51 105.19 111.00 3i8c n GLY 918 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3i8c n GLY 918 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i8c n ASP 919 N 0.00 0.00 -1.37 1.61 2.03 -1.26 -4.91 116.55 112.65 3i8c n ASP 919 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 3i8c n ASP 919 Cb 0.00 0.00 0.20 0.00 -0.72 0.00 0.00 41.12 40.60 3i8c n ASP 919 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3i8c n PHE 920 N 0.00 1.48 -3.83 -0.67 3.72 -1.23 -4.99 117.46 111.93 3i8c n PHE 920 Ca 0.00 -1.60 -0.34 0.00 -0.05 0.00 0.00 57.45 55.45 3i8c n PHE 920 Cb 0.00 -0.57 -0.05 0.00 -0.94 0.00 0.00 39.48 37.92 3i8c n PHE 920 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3i8c s ILE 921 N -3.23 5.39 0.25 4.37 -1.09 -1.24 0.12 121.20 125.77 3i8c s ILE 921 Ca 0.47 0.05 0.04 0.00 -2.23 0.00 0.00 60.65 58.98 3i8c s ILE 921 Cb 0.42 -3.53 -0.01 0.00 -1.58 0.00 0.00 42.46 37.75 3i8c s ILE 921 CO 0.03 0.39 0.13 0.18 -1.23 0.00 0.00 174.94 174.44 3i8c n LEU 922 N 1.19 0.00 -3.64 2.97 4.32 0.09 -2.36 117.00 119.57 3i8c n LEU 922 Ca -0.12 -2.06 -0.05 0.00 -0.02 0.00 0.00 56.01 53.76 3i8c n LEU 922 Cb 0.53 0.84 -0.07 0.00 -1.62 0.00 0.00 43.42 43.10 3i8c n LEU 922 CO 0.41 -0.33 0.86 0.54 -1.22 0.00 0.00 177.39 177.65 3i8c s VAL 923 N -2.68 0.00 0.00 4.08 0.11 -1.23 -2.31 120.40 118.37 3i8c s VAL 923 Ca 0.18 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 3i8c s VAL 923 Cb 0.01 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 3i8c s VAL 923 CO 0.13 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.51 3i8c n GLY 924 N 2.45 2.96 0.00 6.54 0.00 -0.99 -3.69 105.19 112.46 3i8c n GLY 924 Ca -0.14 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3i8c n GLY 924 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3i8c n ASP 925 N 0.00 0.00 0.25 1.61 2.03 -1.26 -4.08 116.55 115.11 3i8c n ASP 925 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 3i8c n ASP 925 Cb 0.00 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 3i8c n ASP 925 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3i8c h LEU 926 N 0.00 -0.59 -3.15 -2.67 5.85 -1.80 -3.37 115.31 109.58 3i8c h LEU 926 Ca 0.00 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 3i8c h LEU 926 Cb 0.00 0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.10 3i8c h LEU 926 CO 0.00 -0.20 -0.56 1.15 -0.34 0.00 0.00 178.44 178.49 3i8c n MET 927 N -5.14 1.99 0.04 1.25 0.00 -1.26 -1.01 117.12 112.99 3i8c n MET 927 Ca -0.09 -3.48 0.00 0.00 0.00 0.00 0.00 57.70 54.13 3i8c n MET 927 Cb 0.28 -1.75 0.00 0.00 0.00 0.00 0.00 33.22 31.75 3i8c n MET 927 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 3i8c n ARG 928 N -1.04 0.00 0.00 3.17 1.74 -0.96 -4.27 116.66 115.31 3i8c n ARG 928 Ca 0.24 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 3i8c n ARG 928 Cb 0.75 -0.45 0.00 0.00 -1.02 0.00 0.00 32.46 31.73 3i8c n ARG 928 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i8c n SER 929 N -3.29 0.00 -3.56 0.55 2.88 -1.22 -2.16 113.62 106.81 3i8c n SER 929 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 3i8c n SER 929 Cb 0.17 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.58 3i8c n SER 929 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3i8c s VAL 930 N 0.00 0.03 0.09 2.46 -7.23 -1.26 -4.34 120.40 110.15 3i8c s VAL 930 Ca 0.00 -0.24 0.09 0.00 -1.81 0.00 0.00 61.98 60.02 3i8c s VAL 930 Cb 0.00 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 3i8c s VAL 930 CO 0.00 -0.13 -0.22 -0.76 -0.31 0.00 0.00 175.10 173.67 3i8c s LEU 931 N -2.13 2.27 0.03 1.32 1.02 -1.26 -2.10 118.68 117.84 3i8c s LEU 931 Ca -0.04 -0.66 0.06 0.00 0.02 0.00 0.00 54.13 53.50 3i8c s LEU 931 Cb -0.00 -0.98 -0.03 0.00 0.02 0.00 0.00 46.19 45.19 3i8c s LEU 931 CO -0.04 0.11 -0.13 -0.22 0.02 0.00 0.00 176.35 176.09 3i8c s LEU 932 N -1.77 2.87 0.10 1.79 2.96 -0.33 -2.34 118.68 121.96 3i8c s LEU 932 Ca 0.08 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 3i8c s LEU 932 Cb -0.10 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 3i8c s LEU 932 CO 0.04 0.26 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.51 3i8c s LEU 933 N -1.50 2.49 0.20 -0.68 1.02 -0.98 -2.34 118.68 116.90 3i8c s LEU 933 Ca 0.16 -1.01 0.09 0.00 0.02 0.00 0.00 54.13 53.39 3i8c s LEU 933 Cb -0.11 -0.07 -0.04 0.00 0.02 0.00 0.00 46.19 45.99 3i8c s LEU 933 CO 0.07 -0.47 -0.18 0.00 0.02 0.00 0.00 176.35 175.79 3i8c s ALA 934 N -3.63 2.18 0.01 4.21 0.00 -0.90 -0.73 121.76 122.89 3i8c s ALA 934 Ca 0.12 -1.62 -0.16 0.00 0.00 0.00 0.00 51.96 50.30 3i8c s ALA 934 Cb 0.05 -0.18 -0.06 0.00 0.00 0.00 0.00 23.12 22.94 3i8c s ALA 934 CO -0.04 0.20 0.44 -0.47 0.00 0.00 0.00 175.76 175.89 3i8c s TYR 935 N -2.39 3.73 -0.38 0.00 5.04 0.12 -2.20 117.35 121.27 3i8c s TYR 935 Ca 0.21 1.05 -0.01 0.00 -2.44 0.00 0.00 57.07 55.88 3i8c s TYR 935 Cb -0.04 -2.35 0.10 0.00 0.35 0.00 0.00 41.96 40.03 3i8c s TYR 935 CO 0.08 0.61 0.14 0.15 -1.34 0.00 0.00 175.55 175.19 3i8c s LYS 936 N -0.99 1.86 0.00 4.97 -0.14 0.90 -4.84 119.74 121.50 3i8c s LYS 936 Ca 0.25 -1.80 0.00 0.00 -1.36 0.00 0.00 55.97 53.05 3i8c s LYS 936 Cb -0.17 -3.44 0.00 0.00 -1.68 0.00 0.00 37.83 32.54 3i8c s LYS 936 CO 0.14 -1.00 0.00 -2.30 -0.76 0.00 0.00 175.35 171.43 3i8c n PRO 937 N 4.49 0.00 0.00 -1.68 -0.02 -1.26 -1.76 135.00 134.77 3i8c n PRO 937 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 3i8c n PRO 937 Cb 0.42 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 3i8c n PRO 937 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3i8c n MET 938 N 0.82 0.00 0.00 -0.52 0.00 -1.26 -4.70 117.12 111.46 3i8c n MET 938 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.70 3i8c n MET 938 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 3i8c n MET 938 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 3i8c n GLU 939 N 0.00 0.81 -3.82 2.12 0.28 -1.23 -4.73 120.64 114.07 3i8c n GLU 939 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.69 3i8c n GLU 939 Cb 0.00 -1.21 0.02 0.00 1.43 0.00 0.00 31.44 31.68 3i8c n GLU 939 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3i8c n GLY 940 N 0.41 -0.71 3.48 -1.84 0.00 -0.72 -4.98 105.19 100.83 3i8c n GLY 940 Ca 0.00 0.34 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 3i8c n GLY 940 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i8c s ASN 941 N -3.79 3.35 -0.05 1.61 3.04 -1.15 -4.48 114.94 113.47 3i8c s ASN 941 Ca 0.32 -1.15 -0.16 0.00 0.04 0.00 0.00 52.86 51.91 3i8c s ASN 941 Cb -0.12 -0.27 -0.05 0.00 -1.54 0.00 0.00 41.25 39.26 3i8c s ASN 941 CO 0.88 -0.19 0.43 -0.36 -3.04 0.00 0.00 177.10 174.82 3i8c s PHE 942 N -2.72 3.64 -0.17 0.43 2.99 -1.26 -0.07 117.98 120.81 3i8c s PHE 942 Ca 0.30 0.93 -0.02 0.00 0.00 0.00 0.00 56.93 58.14 3i8c s PHE 942 Cb 0.01 -2.39 -0.02 0.00 0.00 0.00 0.00 43.02 40.63 3i8c s PHE 942 CO 0.14 0.45 -0.07 -2.00 -0.00 0.00 0.00 175.22 173.74 3i8c s GLU 943 N -0.38 3.46 -0.93 0.44 2.12 -0.94 -4.98 118.70 117.48 3i8c s GLU 943 Ca 0.24 -0.62 -0.24 0.00 0.36 0.00 0.00 54.97 54.71 3i8c s GLU 943 Cb -0.16 -2.85 0.05 0.00 0.26 0.00 0.00 34.13 31.43 3i8c s GLU 943 CO 0.12 0.06 1.37 -2.00 -0.54 0.00 0.00 175.26 174.27 3i8c s GLU 944 N 0.80 3.47 0.20 4.30 2.12 -1.26 -2.12 118.70 126.21 3i8c s GLU 944 Ca -0.03 -0.92 -0.10 0.00 0.36 0.00 0.00 54.97 54.28 3i8c s GLU 944 Cb -0.15 -5.00 0.15 0.00 0.26 0.00 0.00 34.13 29.39 3i8c s GLU 944 CO 0.01 -2.16 1.85 0.82 -0.54 0.00 0.00 175.26 175.24 3i8c h ILE 945 N 6.52 1.21 -1.89 -3.70 2.04 -1.79 -3.47 117.51 116.43 3i8c h ILE 945 Ca 0.06 -0.47 0.18 0.00 1.00 0.00 0.00 64.86 65.63 3i8c h ILE 945 Cb 1.02 0.18 -0.17 0.00 -0.74 0.00 0.00 36.82 37.12 3i8c h ILE 945 CO 1.37 0.22 0.65 0.00 0.00 0.00 0.00 178.15 180.39 3i8c s ALA 946 N -5.97 -1.94 0.09 1.87 0.00 -1.12 -4.51 121.76 110.18 3i8c s ALA 946 Ca -0.13 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.11 3i8c s ALA 946 Cb 0.15 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 3i8c s ALA 946 CO 0.79 -0.66 0.06 2.89 0.00 0.00 0.00 175.76 178.84 3i8c n ARG 947 N -0.18 0.37 -4.80 0.00 1.85 -1.19 -1.19 116.66 111.52 3i8c n ARG 947 Ca -0.04 -0.84 -0.28 0.00 -1.00 0.00 0.00 57.85 55.69 3i8c n ARG 947 Cb 0.60 0.60 -0.17 0.00 -1.05 0.00 0.00 32.46 32.44 3i8c n ARG 947 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3i8c s ASP 948 N -1.59 2.31 -0.54 2.89 -1.08 -0.89 -1.27 116.67 116.49 3i8c s ASP 948 Ca 0.08 -0.40 0.01 0.00 -0.52 0.00 0.00 52.55 51.72 3i8c s ASP 948 Cb 0.00 -1.06 0.45 0.00 -1.46 0.00 0.00 42.92 40.85 3i8c s ASP 948 CO 0.06 0.08 1.72 0.49 0.52 0.00 0.00 175.17 178.04 3i8c n PHE 949 N 3.75 3.07 -4.15 -5.34 3.01 -1.26 -4.50 117.46 112.04 3i8c n PHE 949 Ca -0.21 -2.73 -0.23 0.00 1.01 0.00 0.00 57.45 55.29 3i8c n PHE 949 Cb 0.52 -1.03 -0.06 0.00 -0.01 0.00 0.00 39.48 38.90 3i8c n PHE 949 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3i8c s ASN 950 N -2.45 4.86 -1.00 4.37 -0.87 -1.26 -5.03 114.94 113.57 3i8c s ASN 950 Ca 0.59 -0.59 -0.03 0.00 -1.57 0.00 0.00 52.86 51.26 3i8c s ASN 950 Cb 0.47 -0.93 0.21 0.00 -0.02 0.00 0.00 41.25 40.98 3i8c s ASN 950 CO -0.02 -0.14 2.21 -0.81 -2.57 0.00 0.00 177.10 175.77 3i8c n PRO 951 N -1.09 4.22 -2.36 -0.60 -0.05 -1.25 -4.32 135.00 129.55 3i8c n PRO 951 Ca -0.05 -3.69 -0.42 0.00 -0.05 0.00 0.00 63.50 59.29 3i8c n PRO 951 Cb 0.60 -2.43 -0.02 0.00 -0.05 0.00 0.00 33.50 31.59 3i8c n PRO 951 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 175.50 174.65 3i8c s ASN 952 N -0.45 6.19 -0.94 3.54 0.01 -0.92 -4.80 114.94 117.58 3i8c s ASN 952 Ca 0.49 0.55 -0.24 0.00 -0.71 0.00 0.00 52.86 52.95 3i8c s ASN 952 Cb 0.26 -2.54 -0.06 0.00 0.41 0.00 0.00 41.25 39.32 3i8c s ASN 952 CO -0.18 -1.60 1.97 0.26 -1.51 0.00 0.00 177.10 176.04 3i8c s TRP 953 N 5.88 1.79 0.89 2.20 0.52 -1.26 -2.26 118.94 126.69 3i8c s TRP 953 Ca 0.57 0.70 -0.11 0.00 0.02 0.00 0.00 56.10 57.29 3i8c s TRP 953 Cb -0.12 -3.99 0.13 0.00 -1.15 0.00 0.00 33.47 28.33 3i8c s TRP 953 CO 0.29 -1.64 1.11 -1.64 0.02 0.00 0.00 176.95 175.09 3i8c s MET 954 N 7.05 1.29 0.00 4.98 -1.94 -0.18 -0.45 119.30 130.05 3i8c s MET 954 Ca 0.71 1.30 0.00 0.00 -1.71 0.00 0.00 55.69 55.99 3i8c s MET 954 Cb -0.06 -1.78 0.00 0.00 2.01 0.00 0.00 34.83 35.00 3i8c s MET 954 CO 0.02 -2.36 0.00 -1.13 -0.01 0.00 0.00 175.02 171.54 3i8c n SER 955 N -4.02 0.00 -3.67 3.03 3.41 -0.84 -4.57 113.62 106.94 3i8c n SER 955 Ca 0.10 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.61 3i8c n SER 955 Cb 0.53 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 3i8c n SER 955 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i8c s ALA 956 N -0.40 -1.29 -0.15 7.33 0.00 -1.21 -4.68 121.76 121.36 3i8c s ALA 956 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 51.96 51.76 3i8c s ALA 956 Cb 0.00 0.87 0.05 0.00 0.00 0.00 0.00 23.12 24.04 3i8c s ALA 956 CO 0.00 -0.89 0.53 0.08 0.00 0.00 0.00 175.76 175.48 3i8c s VAL 957 N -3.85 0.01 -0.02 0.00 1.01 -1.26 -1.48 120.40 114.81 3i8c s VAL 957 Ca 0.07 -0.07 -0.24 0.00 0.00 0.00 0.00 61.98 61.75 3i8c s VAL 957 Cb -0.03 -0.77 0.05 0.00 0.00 0.00 0.00 36.38 35.63 3i8c s VAL 957 CO -0.02 -0.04 0.52 -0.70 0.00 0.00 0.00 175.10 174.86 3i8c s GLU 958 N -0.17 0.92 -0.39 2.72 2.56 -0.03 -4.73 118.70 119.58 3i8c s GLU 958 Ca -0.04 0.01 -0.19 0.00 0.00 0.00 0.00 54.97 54.75 3i8c s GLU 958 Cb -0.03 0.42 0.01 0.00 2.00 0.00 0.00 34.13 36.53 3i8c s GLU 958 CO 0.03 -0.29 0.55 0.42 -0.56 0.00 0.00 175.26 175.41 3i8c s ILE 959 N -1.48 4.96 0.12 -3.70 1.01 -1.26 -0.14 121.20 120.71 3i8c s ILE 959 Ca -0.11 0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.57 3i8c s ILE 959 Cb -0.02 -4.06 -0.14 0.00 0.01 0.00 0.00 42.46 38.25 3i8c s ILE 959 CO 0.06 -0.39 1.34 -0.07 0.00 0.00 0.00 174.94 175.88 3i8c h LEU 960 N 9.29 0.88 0.00 2.97 3.38 -1.05 -3.48 115.31 127.30 3i8c h LEU 960 Ca -0.27 -0.56 0.21 0.00 0.09 0.00 0.00 57.88 57.35 3i8c h LEU 960 Cb 1.11 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 3i8c h LEU 960 CO 0.82 1.35 0.58 -0.90 0.09 0.00 0.00 178.44 180.38 3i8c n ASP 961 N -3.93 -0.93 -0.49 -0.43 3.85 -0.77 -4.94 116.55 108.91 3i8c n ASP 961 Ca -0.07 -1.29 0.38 0.00 -0.71 0.00 0.00 54.79 53.10 3i8c n ASP 961 Cb 0.73 1.47 0.60 0.00 -1.35 0.00 0.00 41.12 42.56 3i8c n ASP 961 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3i8c n ASP 962 N -0.87 0.06 0.00 -1.12 9.92 -1.26 -0.93 116.55 122.35 3i8c n ASP 962 Ca 0.02 0.89 0.00 0.00 -0.53 0.00 0.00 54.79 55.17 3i8c n ASP 962 Cb 0.40 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.44 3i8c n ASP 962 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3i8c n ASP 963 N -3.77 4.19 -4.54 -2.24 8.00 -1.26 -5.00 116.55 111.93 3i8c n ASP 963 Ca 0.34 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.42 3i8c n ASP 963 Cb 1.44 0.69 -0.09 0.00 -0.02 0.00 0.00 41.12 43.15 3i8c n ASP 963 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3i8c s ASN 964 N -2.02 6.21 -0.22 -2.24 -0.87 -0.11 -3.76 114.94 111.93 3i8c s ASN 964 Ca 0.00 -0.27 -0.04 0.00 -1.57 0.00 0.00 52.86 50.98 3i8c s ASN 964 Cb 0.00 -2.22 -0.00 0.00 -0.02 0.00 0.00 41.25 39.01 3i8c s ASN 964 CO 0.00 -0.41 -0.05 -0.36 -2.57 0.00 0.00 177.10 173.71 3i8c s PHE 965 N 2.12 2.97 0.17 2.20 0.40 0.76 -0.35 117.98 126.24 3i8c s PHE 965 Ca 0.13 -1.01 -0.13 0.00 -0.60 0.00 0.00 56.93 55.32 3i8c s PHE 965 Cb -0.16 -2.10 -0.07 0.00 0.51 0.00 0.00 43.02 41.19 3i8c s PHE 965 CO 0.12 -0.57 0.56 -1.17 0.70 0.00 0.00 175.22 174.86 3i8c s LEU 966 N 1.46 4.30 -0.15 -0.37 0.20 0.80 -0.66 118.68 124.27 3i8c s LEU 966 Ca 0.05 1.06 -0.13 0.00 0.69 0.00 0.00 54.13 55.80 3i8c s LEU 966 Cb -0.14 -3.37 0.04 0.00 -0.43 0.00 0.00 46.19 42.28 3i8c s LEU 966 CO -0.04 0.06 0.39 -0.83 -0.29 0.00 0.00 176.35 175.65 3i8c s GLY 967 N -1.85 -0.29 0.18 7.98 0.00 -0.64 -0.85 107.32 111.85 3i8c s GLY 967 Ca 0.40 1.14 0.08 0.00 0.00 0.00 0.00 44.72 46.34 3i8c s GLY 967 CO 0.19 1.03 -0.04 0.00 0.00 0.00 0.00 173.10 174.28 3i8c s ALA 968 N 0.34 3.09 -0.01 3.20 0.00 -0.55 -1.46 121.76 126.38 3i8c s ALA 968 Ca -0.01 -1.43 -0.19 0.00 0.00 0.00 0.00 51.96 50.33 3i8c s ALA 968 Cb -0.03 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.25 3i8c s ALA 968 CO -0.01 0.46 0.40 -1.83 0.00 0.00 0.00 175.76 174.78 3i8c s GLU 969 N -2.95 0.80 0.00 0.00 1.03 -1.09 -1.99 118.70 114.49 3i8c s GLU 969 Ca 0.27 -0.15 0.00 0.00 0.03 0.00 0.00 54.97 55.12 3i8c s GLU 969 Cb -0.09 0.36 0.00 0.00 -0.80 0.00 0.00 34.13 33.60 3i8c s GLU 969 CO 0.17 -0.24 0.00 -1.71 -1.33 0.00 0.00 175.26 172.15 3i8c n ASN 970 N 1.02 0.00 -1.55 0.83 5.15 0.41 0.03 115.26 121.15 3i8c n ASN 970 Ca -0.20 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 53.85 3i8c n ASN 970 Cb 0.57 0.00 0.36 0.00 -0.53 0.00 0.00 39.78 40.18 3i8c n ASN 970 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i8c n ALA 971 N 0.00 3.60 -2.11 5.20 0.00 -1.26 -4.94 120.51 121.00 3i8c n ALA 971 Ca 0.00 -2.07 -0.08 0.00 0.00 0.00 0.00 53.44 51.29 3i8c n ALA 971 Cb 0.00 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 18.46 3i8c n ALA 971 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i8c n PHE 972 N 0.21 -0.35 -4.57 0.00 0.99 0.10 -4.89 117.46 108.96 3i8c n PHE 972 Ca 0.26 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.40 3i8c n PHE 972 Cb 1.10 -2.06 -0.12 0.00 -1.00 0.00 0.00 39.48 37.40 3i8c n PHE 972 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 3i8c s ASN 973 N -2.67 3.90 0.17 4.37 0.01 -1.25 -1.62 114.94 117.86 3i8c s ASN 973 Ca 0.00 -0.42 0.04 0.00 -0.71 0.00 0.00 52.86 51.77 3i8c s ASN 973 Cb 0.00 -0.65 -0.04 0.00 0.41 0.00 0.00 41.25 40.98 3i8c s ASN 973 CO 0.00 0.24 0.20 -0.76 -1.51 0.00 0.00 177.10 175.28 3i8c s LEU 974 N -1.57 4.02 -0.01 0.60 1.43 0.70 -2.68 118.68 121.16 3i8c s LEU 974 Ca 0.16 -0.03 -0.22 0.00 -1.03 0.00 0.00 54.13 53.01 3i8c s LEU 974 Cb -0.11 -2.60 0.04 0.00 0.03 0.00 0.00 46.19 43.56 3i8c s LEU 974 CO 0.06 0.05 0.48 0.72 0.23 0.00 0.00 176.35 177.89 3i8c s PHE 975 N -1.79 -0.39 0.02 0.29 -0.12 -0.53 -1.61 117.98 113.85 3i8c s PHE 975 Ca 0.32 0.59 0.07 0.00 -0.05 0.00 0.00 56.93 57.86 3i8c s PHE 975 Cb -0.10 0.25 -0.02 0.00 -0.63 0.00 0.00 43.02 42.52 3i8c s PHE 975 CO 0.26 -0.52 -0.21 0.08 -0.05 0.00 0.00 175.22 174.77 3i8c s VAL 976 N -1.58 1.68 -0.01 -2.49 1.01 0.20 -1.63 120.40 117.59 3i8c s VAL 976 Ca -0.11 -1.10 0.06 0.00 0.00 0.00 0.00 61.98 60.84 3i8c s VAL 976 Cb -0.02 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 3i8c s VAL 976 CO 0.05 0.31 -0.19 0.00 0.00 0.00 0.00 175.10 175.27 3i8c s GLN 978 N -0.49 0.45 0.06 0.00 -2.07 -1.18 -0.17 119.66 116.26 3i8c s GLN 978 Ca 0.07 -0.84 -0.30 0.00 -1.82 0.00 0.00 55.36 52.47 3i8c s GLN 978 Cb -0.07 0.08 -0.05 0.00 -1.09 0.00 0.00 33.01 31.88 3i8c s GLN 978 CO -0.01 -0.06 1.09 -1.59 -1.32 0.00 0.00 175.29 173.41 3i8c s LYS 979 N -2.33 4.52 0.13 9.60 0.00 -1.26 -1.48 119.74 128.93 3i8c s LYS 979 Ca -0.07 1.62 -0.35 0.00 0.00 0.00 0.00 55.97 57.17 3i8c s LYS 979 Cb -0.04 -3.38 -0.15 0.00 0.00 0.00 0.00 37.83 34.26 3i8c s LYS 979 CO -0.04 -0.10 1.44 -3.47 0.00 0.00 0.00 175.35 173.18 3i8c n ASP 980 N 3.59 2.33 -4.34 0.03 2.03 -1.24 -4.92 116.55 114.03 3i8c n ASP 980 Ca 0.07 1.11 -0.45 0.00 0.52 0.00 0.00 54.79 56.03 3i8c n ASP 980 Cb 0.48 -1.31 -0.00 0.00 -0.72 0.00 0.00 41.12 39.57 3i8c n ASP 980 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3i8c s SER 981 N 0.63 7.22 0.09 1.67 0.01 -1.26 -4.82 113.70 117.23 3i8c s SER 981 Ca 0.80 -3.42 -0.09 0.00 1.31 0.00 0.00 55.95 54.56 3i8c s SER 981 Cb -0.81 -2.22 -0.00 0.00 0.21 0.00 0.00 66.02 63.20 3i8c s SER 981 CO 0.43 -0.35 0.19 0.00 0.41 0.00 0.00 173.24 173.92 3i8c s ALA 982 N -0.93 -0.22 1.26 1.44 0.00 -1.26 -5.18 121.76 116.87 3i8c s ALA 982 Ca 0.29 -0.61 -0.17 0.00 0.00 0.00 0.00 51.96 51.46 3i8c s ALA 982 Cb -0.10 0.47 0.29 0.00 0.00 0.00 0.00 23.12 23.78 3i8c s ALA 982 CO -0.08 -0.50 0.76 0.00 0.00 0.00 0.00 175.76 175.94 3i8c n ALA 983 N -0.03 -3.71 -3.24 0.00 0.00 -1.26 -4.28 120.51 107.99 3i8c n ALA 983 Ca -0.15 -1.44 -0.19 0.00 0.00 0.00 0.00 53.44 51.66 3i8c n ALA 983 Cb 0.62 -1.72 0.05 0.00 0.00 0.00 0.00 19.45 18.41 3i8c n ALA 983 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i8c n THR 984 N -5.15 -2.18 -0.23 0.00 -2.24 -1.26 -4.75 114.28 98.47 3i8c n THR 984 Ca 0.05 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.77 3i8c n THR 984 Cb 0.56 -3.36 -0.02 0.00 -2.10 0.00 0.00 70.33 65.42 3i8c n THR 984 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i8c n THR 985 N -4.43 0.75 0.00 4.28 -2.24 -1.26 -3.22 114.28 108.15 3i8c n THR 985 Ca -0.02 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3i8c n THR 985 Cb 0.56 -1.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 3i8c n THR 985 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i8c n ASP 986 N 4.07 0.94 -0.08 3.42 9.92 -1.26 -4.69 116.55 128.88 3i8c n ASP 986 Ca 0.13 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.30 3i8c n ASP 986 Cb 0.09 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.54 3i8c n ASP 986 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3i8c n GLU 987 N -2.00 0.48 0.31 -1.24 4.07 -1.20 -3.17 120.64 117.89 3i8c n GLU 987 Ca 0.00 0.52 0.19 0.00 -0.06 0.00 0.00 57.16 57.81 3i8c n GLU 987 Cb 0.15 -1.69 0.99 0.00 -0.06 0.00 0.00 31.44 30.83 3i8c n GLU 987 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3i8c h GLU 988 N -1.00 0.00 0.01 5.31 5.08 -1.86 -1.09 114.58 121.03 3i8c h GLU 988 Ca -0.08 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.00 3i8c h GLU 988 Cb 0.70 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 3i8c h GLU 988 CO -0.05 0.00 -1.60 -0.09 -1.00 0.00 0.00 179.01 176.27 3i8c h ARG 989 N 0.00 0.02 -0.42 2.33 9.65 -1.82 -3.33 114.38 120.82 3i8c h ARG 989 Ca 0.02 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3i8c h ARG 989 Cb 0.36 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 3i8c h ARG 989 CO -0.00 0.63 0.00 0.94 2.80 0.00 0.00 179.97 184.33 3i8c n GLN 990 N -3.13 1.52 -4.27 0.20 -0.06 -0.42 -4.66 117.38 106.57 3i8c n GLN 990 Ca -0.15 -0.60 -0.18 0.00 -2.00 0.00 0.00 57.00 54.07 3i8c n GLN 990 Cb 1.03 -1.31 -0.11 0.00 -4.06 0.00 0.00 30.24 25.80 3i8c n GLN 990 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 3i8c s HIS 991 N -1.65 1.49 -0.01 3.69 3.76 -1.15 -3.19 115.29 118.24 3i8c s HIS 991 Ca 0.11 -0.56 0.01 0.00 -0.15 0.00 0.00 55.06 54.47 3i8c s HIS 991 Cb 0.07 -0.76 0.00 0.00 1.11 0.00 0.00 32.58 33.00 3i8c s HIS 991 CO 0.06 0.19 -0.02 -0.48 -0.85 0.00 0.00 174.74 173.64 3i8c s LEU 992 N -2.62 1.82 0.05 0.89 0.05 -0.40 -3.72 118.68 114.76 3i8c s LEU 992 Ca 0.12 -0.04 -0.04 0.00 0.05 0.00 0.00 54.13 54.22 3i8c s LEU 992 Cb -0.04 -0.15 -0.05 0.00 -2.05 0.00 0.00 46.19 43.91 3i8c s LEU 992 CO 0.04 0.00 0.27 -1.10 -0.55 0.00 0.00 176.35 175.01 3i8c s GLN 993 N 0.17 3.54 -1.19 1.48 1.11 -0.55 -4.64 119.66 119.58 3i8c s GLN 993 Ca -0.01 -0.19 -0.21 0.00 0.01 0.00 0.00 55.36 54.95 3i8c s GLN 993 Cb -0.04 -3.01 -0.04 0.00 -1.01 0.00 0.00 33.01 28.91 3i8c s GLN 993 CO -0.00 0.59 1.89 0.39 0.01 0.00 0.00 175.29 178.17 3i8c n GLU 994 N 0.62 2.15 0.22 2.91 1.02 -1.26 -3.09 120.64 123.20 3i8c n GLU 994 Ca -0.07 -2.66 0.13 0.00 -0.02 0.00 0.00 57.16 54.53 3i8c n GLU 994 Cb 0.52 -3.55 0.26 0.00 -0.02 0.00 0.00 31.44 28.65 3i8c n GLU 994 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 3i8c h VAL 995 N 5.69 0.00 -3.39 2.62 -1.51 -1.43 -3.44 116.25 114.78 3i8c h VAL 995 Ca 0.33 -0.88 -0.56 0.00 -1.23 0.00 0.00 66.70 64.36 3i8c h VAL 995 Cb 0.87 1.87 -0.33 0.00 -2.13 0.00 0.00 31.29 31.57 3i8c h VAL 995 CO 1.41 0.00 -0.83 -0.83 -1.23 0.00 0.00 177.57 176.09 3i8c s GLY 996 N -4.14 0.93 0.05 5.19 0.00 -0.92 -4.34 107.32 104.10 3i8c s GLY 996 Ca 0.07 -0.56 0.04 0.00 0.00 0.00 0.00 44.72 44.26 3i8c s GLY 996 CO 0.64 0.02 -0.11 1.08 0.00 0.00 0.00 173.10 174.73 3i8c s LEU 997 N 0.60 2.25 -0.29 0.66 1.43 -0.06 -0.62 118.68 122.65 3i8c s LEU 997 Ca -0.15 -0.55 -0.24 0.00 -1.03 0.00 0.00 54.13 52.15 3i8c s LEU 997 Cb -0.16 -0.37 0.14 0.00 0.03 0.00 0.00 46.19 45.83 3i8c s LEU 997 CO 0.05 -0.11 1.12 0.12 0.23 0.00 0.00 176.35 177.75 3i8c s PHE 998 N -1.24 -0.39 -0.44 0.29 5.36 -0.63 -1.74 117.98 119.19 3i8c s PHE 998 Ca -0.05 0.92 -0.14 0.00 -0.96 0.00 0.00 56.93 56.70 3i8c s PHE 998 Cb -0.09 0.38 0.05 0.00 -0.34 0.00 0.00 43.02 43.02 3i8c s PHE 998 CO 0.01 -0.19 0.34 -1.58 -1.46 0.00 0.00 175.22 172.34 3i8c s HIS 999 N 0.33 3.25 -0.02 10.12 5.65 -0.71 -0.22 115.29 133.70 3i8c s HIS 999 Ca 0.02 -0.88 -0.24 0.00 0.25 0.00 0.00 55.06 54.22 3i8c s HIS 999 Cb -0.05 -2.92 -0.17 0.00 -1.18 0.00 0.00 32.58 28.27 3i8c s HIS 999 CO -0.09 -0.73 1.10 1.25 -0.65 0.00 0.00 174.74 175.62 3i8c h LEU 1000N 8.66 -0.24 0.00 8.88 6.46 -1.64 -3.43 115.31 134.00 3i8c h LEU 1000Ca -0.27 -0.28 0.00 0.00 -0.12 0.00 0.00 57.88 57.20 3i8c h LEU 1000Cb 1.11 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 3i8c h LEU 1000CO 0.81 0.21 0.00 0.61 -0.62 0.00 0.00 178.44 179.45 3i8c n GLY 1001N 0.11 0.73 3.34 3.75 0.00 -1.03 -5.07 105.19 107.02 3i8c n GLY 1001Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 3i8c n GLY 1001CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i8c s GLU 1002N -0.82 1.45 -0.20 1.61 0.41 -1.26 -4.94 118.70 114.94 3i8c s GLU 1002Ca 0.00 -1.78 -0.02 0.00 -0.41 0.00 0.00 54.97 52.76 3i8c s GLU 1002Cb 0.00 -0.39 0.00 0.00 -1.78 0.00 0.00 34.13 31.96 3i8c s GLU 1002CO 0.00 -0.26 -0.11 0.12 -0.49 0.00 0.00 175.26 174.52 3i8c s PHE 1003N -3.65 2.89 -0.38 1.61 5.36 -1.26 -4.27 117.98 118.28 3i8c s PHE 1003Ca 0.37 -1.24 -0.17 0.00 -0.96 0.00 0.00 56.93 54.92 3i8c s PHE 1003Cb 0.08 -2.03 0.00 0.00 -0.34 0.00 0.00 43.02 40.73 3i8c s PHE 1003CO 0.14 -0.66 0.47 0.08 -1.46 0.00 0.00 175.22 173.78 3i8c s VAL 1004N 1.40 5.05 0.15 3.12 1.01 -1.26 -2.08 120.40 127.79 3i8c s VAL 1004Ca 0.05 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.15 3i8c s VAL 1004Cb -0.14 -3.97 -0.17 0.00 0.00 0.00 0.00 36.38 32.10 3i8c s VAL 1004CO -0.07 -0.28 1.35 0.78 0.00 0.00 0.00 175.10 176.88 3i8c h ASN 1005N 8.57 0.10 -3.27 3.32 2.35 -1.59 -3.35 115.58 121.71 3i8c h ASN 1005Ca -0.28 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.27 3i8c h ASN 1005Cb 1.12 -0.03 -0.26 0.00 0.05 0.00 0.00 38.32 39.20 3i8c h ASN 1005CO 0.77 0.97 -0.27 0.54 -1.65 0.00 0.00 177.43 177.78 3i8c s VAL 1006N -2.98 -0.02 0.29 2.81 0.11 -1.16 -4.74 120.40 114.71 3i8c s VAL 1006Ca -0.01 0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.18 3i8c s VAL 1006Cb 0.10 -0.63 -0.02 0.00 -1.53 0.00 0.00 36.38 34.30 3i8c s VAL 1006CO 0.82 0.03 0.39 -0.36 -3.33 0.00 0.00 175.10 172.65 3i8c s PHE 1007N 1.30 3.22 -0.26 1.54 0.40 -1.26 -2.66 117.98 120.26 3i8c s PHE 1007Ca -0.09 -0.15 -0.35 0.00 -0.60 0.00 0.00 56.93 55.74 3i8c s PHE 1007Cb -0.08 -1.78 0.16 0.00 0.51 0.00 0.00 43.02 41.83 3i8c s PHE 1007CO -0.12 0.21 1.31 0.00 0.70 0.00 0.00 175.22 177.32 3i8c s HIS 1009N -1.89 3.67 -5.00 0.00 3.76 -1.26 0.46 115.29 115.02 3i8c s HIS 1009Ca 0.10 1.69 0.00 0.00 -0.15 0.00 0.00 55.06 56.70 3i8c s HIS 1009Cb -0.01 -3.22 0.00 0.00 1.11 0.00 0.00 32.58 30.46 3i8c s HIS 1009CO -0.04 -0.37 0.00 0.41 -0.85 0.00 0.00 174.74 173.89 3i8c n GLY 1010N 1.70 -1.18 3.37 -2.22 0.00 -1.06 -4.77 105.19 101.03 3i8c n GLY 1010Ca 0.01 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 3i8c n GLY 1010CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i8c s SER 1011N -0.59 -0.41 0.00 1.61 0.15 -1.26 -4.37 113.70 108.83 3i8c s SER 1011Ca 0.00 -0.14 0.14 0.00 0.70 0.00 0.00 55.95 56.65 3i8c s SER 1011Cb 0.00 0.54 0.26 0.00 -1.71 0.00 0.00 66.02 65.11 3i8c s SER 1011CO 0.00 -0.91 1.15 0.18 1.20 0.00 0.00 173.24 174.87 3i8c n LEU 1012N -0.27 2.73 0.00 3.45 4.77 -1.26 -3.50 117.00 122.90 3i8c n LEU 1012Ca -0.17 -1.56 -0.29 0.00 -0.03 0.00 0.00 56.01 53.96 3i8c n LEU 1012Cb 0.64 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 3i8c n LEU 1012CO 0.15 0.62 -0.16 1.33 -1.33 0.00 0.00 177.39 177.99 3i8c n VAL 1013N 0.78 0.00 -0.54 4.08 0.24 -1.26 -4.50 118.33 117.13 3i8c n VAL 1013Ca 0.12 -2.17 0.07 0.00 -2.04 0.00 0.00 64.34 60.32 3i8c n VAL 1013Cb 0.42 0.34 -0.02 0.00 -1.47 0.00 0.00 33.84 33.11 3i8c n VAL 1013CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 3i8c n MET 1014N -1.27 -1.11 0.01 7.34 0.00 -1.26 -4.47 117.12 116.35 3i8c n MET 1014Ca -0.16 0.76 0.00 0.00 0.00 0.00 0.00 57.70 58.30 3i8c n MET 1014Cb 0.59 -1.35 0.00 0.00 0.00 0.00 0.00 33.22 32.46 3i8c n MET 1014CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3i8c n GLN 1015N -2.46 0.00 0.00 3.17 1.13 -1.26 -3.77 117.38 114.20 3i8c n GLN 1015Ca -0.00 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 3i8c n GLN 1015Cb 0.25 -0.13 0.00 0.00 0.11 0.00 0.00 30.24 30.47 3i8c n GLN 1015CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3i8c n PRO 1023N -0.50 0.00 -4.18 -1.09 -0.02 -1.26 -4.13 135.00 123.82 3i8c n PRO 1023Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 3i8c n PRO 1023Cb 0.05 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.45 3i8c n PRO 1023CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3i8c s THR 1024N -0.06 0.00 -0.10 3.45 -4.23 -1.26 -4.59 115.64 108.85 3i8c s THR 1024Ca 0.00 -1.87 -0.07 0.00 -1.18 0.00 0.00 61.69 58.57 3i8c s THR 1024Cb 0.00 -2.48 0.04 0.00 1.34 0.00 0.00 72.50 71.39 3i8c s THR 1024CO 0.00 0.00 0.26 -1.58 -0.54 0.00 0.00 174.62 172.76 3i8c s GLN 1025N -3.78 0.26 0.12 3.99 0.74 -1.03 -4.97 119.66 115.00 3i8c s GLN 1025Ca 0.36 0.46 0.00 0.00 0.05 0.00 0.00 55.36 56.24 3i8c s GLN 1025Cb 0.04 0.01 0.00 0.00 1.10 0.00 0.00 33.01 34.16 3i8c s GLN 1025CO 0.17 -0.10 0.00 0.41 -0.55 0.00 0.00 175.29 175.22 3i8c n GLY 1026N 3.63 -1.53 3.28 2.59 0.00 -1.26 -1.50 105.19 110.39 3i8c n GLY 1026Ca -0.19 -1.40 0.03 0.00 0.00 0.00 0.00 46.02 44.46 3i8c n GLY 1026CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i8c s SER 1027N -3.98 -0.47 -0.13 1.61 0.15 -1.26 -4.69 113.70 104.93 3i8c s SER 1027Ca 0.00 0.52 0.03 0.00 0.70 0.00 0.00 55.95 57.20 3i8c s SER 1027Cb 0.00 1.48 0.01 0.00 -1.71 0.00 0.00 66.02 65.80 3i8c s SER 1027CO 0.00 -0.09 -0.23 -0.69 1.20 0.00 0.00 173.24 173.43 3i8c s VAL 1028N 2.55 2.06 0.12 4.45 1.01 -0.75 -2.58 120.40 127.26 3i8c s VAL 1028Ca -0.01 -0.99 0.03 0.00 0.00 0.00 0.00 61.98 61.01 3i8c s VAL 1028Cb -0.07 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 3i8c s VAL 1028CO -0.15 0.55 0.16 -0.76 0.00 0.00 0.00 175.10 174.90 3i8c s LEU 1029N 0.67 4.00 0.07 3.92 1.43 0.17 -0.13 118.68 128.82 3i8c s LEU 1029Ca -0.11 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 3i8c s LEU 1029Cb -0.16 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.40 3i8c s LEU 1029CO 0.01 0.11 -0.09 0.72 0.23 0.00 0.00 176.35 177.34 3i8c s PHE 1030N -1.60 0.87 0.08 0.29 -0.12 -0.95 -0.91 117.98 115.64 3i8c s PHE 1030Ca 0.32 -0.65 0.08 0.00 -0.05 0.00 0.00 56.93 56.63 3i8c s PHE 1030Cb -0.11 -0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 41.75 3i8c s PHE 1030CO 0.25 -0.07 -0.21 0.20 -0.05 0.00 0.00 175.22 175.34 3i8c s GLY 1031N -2.20 1.20 0.28 1.99 0.00 -1.09 -1.89 107.32 105.61 3i8c s GLY 1031Ca 0.00 -1.17 0.07 0.00 0.00 0.00 0.00 44.72 43.63 3i8c s GLY 1031CO -0.01 -1.14 -0.08 -0.51 0.00 0.00 0.00 173.10 171.36 3i8c s THR 1032N -1.00 1.77 0.65 0.90 -4.23 -1.16 -1.71 115.64 110.87 3i8c s THR 1032Ca 0.07 -2.16 0.38 0.00 -1.18 0.00 0.00 61.69 58.80 3i8c s THR 1032Cb -0.09 -2.42 0.39 0.00 1.34 0.00 0.00 72.50 71.72 3i8c s THR 1032CO 0.03 -0.33 2.22 0.58 -0.54 0.00 0.00 174.62 176.58 3i8c h VAL 1033N 2.28 0.10 0.00 2.29 2.07 -1.65 -2.46 116.25 118.88 3i8c h VAL 1033Ca -0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3i8c h VAL 1033Cb 1.24 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3i8c h VAL 1033CO 0.67 0.00 -1.50 0.59 0.02 0.00 0.00 177.57 177.35 3i8c n ASN 1034N -3.18 0.59 0.00 0.57 3.02 -1.26 -3.06 115.26 111.94 3i8c n ASN 1034Ca -0.02 -0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 3i8c n ASN 1034Cb 0.18 1.52 0.00 0.00 -0.61 0.00 0.00 39.78 40.87 3i8c n ASN 1034CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i8c n GLY 1035N 1.40 1.24 3.64 7.41 0.00 -1.12 -0.71 105.19 117.04 3i8c n GLY 1035Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3i8c n GLY 1035CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3i8c n MET 1036N -0.04 1.75 -4.05 1.61 0.00 -1.26 -4.64 117.12 110.50 3i8c n MET 1036Ca 0.00 0.62 -0.33 0.00 0.00 0.00 0.00 57.70 57.99 3i8c n MET 1036Cb 0.00 -2.17 -0.15 0.00 0.00 0.00 0.00 33.22 30.90 3i8c n MET 1036CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3i8c s ILE 1037N -0.51 2.44 0.63 1.12 1.01 -0.18 -2.98 121.20 122.73 3i8c s ILE 1037Ca 0.64 -1.03 0.05 0.00 0.00 0.00 0.00 60.65 60.32 3i8c s ILE 1037Cb -0.68 -2.16 0.11 0.00 0.01 0.00 0.00 42.46 39.75 3i8c s ILE 1037CO 0.55 0.34 0.86 0.61 0.00 0.00 0.00 174.94 177.31 3i8c n GLY 1038N 4.62 1.40 2.98 6.18 0.00 -0.79 0.46 105.19 120.04 3i8c n GLY 1038Ca -0.18 -2.14 -0.13 0.00 0.00 0.00 0.00 46.02 43.57 3i8c n GLY 1038CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i8c s LEU 1039N 0.00 1.10 -0.18 0.99 2.96 -0.19 -2.23 118.68 121.13 3i8c s LEU 1039Ca 0.62 0.30 -0.01 0.00 -0.22 0.00 0.00 54.13 54.82 3i8c s LEU 1039Cb -0.04 0.44 -0.00 0.00 0.50 0.00 0.00 46.19 47.09 3i8c s LEU 1039CO 0.40 -0.10 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.53 3i8c s VAL 1040N 0.59 2.87 0.49 1.68 1.01 0.82 -2.55 120.40 125.31 3i8c s VAL 1040Ca -0.04 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.30 3i8c s VAL 1040Cb -0.06 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 3i8c s VAL 1040CO -0.03 0.49 0.13 -0.89 0.00 0.00 0.00 175.10 174.80 3i8c s THR 1041N 1.09 1.61 0.22 3.92 2.01 -0.39 -1.81 115.64 122.29 3i8c s THR 1041Ca 0.00 -1.82 0.09 0.00 0.31 0.00 0.00 61.69 60.27 3i8c s THR 1041Cb -0.14 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 3i8c s THR 1041CO -0.03 0.00 -0.04 -0.44 -0.69 0.00 0.00 174.62 173.42 3i8c s SER 1042N -3.96 4.45 0.15 3.53 0.01 -0.57 -2.14 113.70 115.17 3i8c s SER 1042Ca 0.23 -0.59 0.06 0.00 1.31 0.00 0.00 55.95 56.96 3i8c s SER 1042Cb 0.02 -0.81 -0.04 0.00 0.21 0.00 0.00 66.02 65.40 3i8c s SER 1042CO 0.13 0.06 -0.13 -0.76 0.41 0.00 0.00 173.24 172.95 3i8c s LEU 1043N -3.22 2.48 0.36 2.44 1.43 -0.25 -2.47 118.68 119.44 3i8c s LEU 1043Ca 0.28 -0.92 -0.26 0.00 -1.03 0.00 0.00 54.13 52.20 3i8c s LEU 1043Cb -0.08 -0.50 -0.09 0.00 0.03 0.00 0.00 46.19 45.55 3i8c s LEU 1043CO 0.18 -0.21 1.12 -0.94 0.23 0.00 0.00 176.35 176.72 3i8c s SER 1044N -2.86 6.84 0.32 2.29 1.04 -1.26 -4.80 113.70 115.26 3i8c s SER 1044Ca 0.14 2.24 0.09 0.00 0.48 0.00 0.00 55.95 58.90 3i8c s SER 1044Cb -0.02 -2.61 0.87 0.00 0.10 0.00 0.00 66.02 64.36 3i8c s SER 1044CO 0.03 -0.45 1.73 1.05 0.98 0.00 0.00 173.24 176.59 3i8c h GLU 1045N 2.99 0.58 0.25 4.02 9.09 -1.98 0.32 114.58 129.85 3i8c h GLU 1045Ca -0.48 -0.04 -0.01 0.00 0.05 0.00 0.00 59.36 58.88 3i8c h GLU 1045Cb 1.22 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 28.19 3i8c h GLU 1045CO 0.64 0.39 -0.12 0.66 0.05 0.00 0.00 179.01 180.62 3i8c h SER 1046N 0.60 -0.29 -0.41 3.06 4.64 -1.99 -0.14 113.55 119.02 3i8c h SER 1046Ca 0.64 -0.07 0.01 0.00 -0.47 0.00 0.00 61.79 61.91 3i8c h SER 1046Cb 1.19 0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.33 3i8c h SER 1046CO -0.47 -0.11 0.25 -0.50 -0.87 0.00 0.00 176.83 175.13 3i8c h TRP 1047N -0.44 0.48 -0.07 4.77 4.06 -1.56 -0.60 115.95 122.58 3i8c h TRP 1047Ca -0.03 0.01 0.01 0.00 2.06 0.00 0.00 58.89 60.94 3i8c h TRP 1047Cb 0.33 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 28.32 3i8c h TRP 1047CO -0.03 0.29 -0.08 -0.92 -3.56 0.00 0.00 178.44 174.14 3i8c h TYR 1048N 0.52 -0.25 -0.57 0.49 3.20 -0.35 -1.37 116.97 118.64 3i8c h TYR 1048Ca 0.16 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.14 3i8c h TYR 1048Cb -0.02 0.12 -0.11 0.00 1.54 0.00 0.00 36.73 38.26 3i8c h TYR 1048CO -0.06 -0.07 -0.34 -0.91 -1.64 0.00 0.00 178.16 175.14 3i8c h ASN 1049N -0.05 -1.18 -0.77 -2.11 2.35 -0.57 0.69 115.58 113.94 3i8c h ASN 1049Ca 0.01 0.22 0.17 0.00 -0.55 0.00 0.00 56.30 56.16 3i8c h ASN 1049Cb 0.08 0.58 -0.11 0.00 0.05 0.00 0.00 38.32 38.91 3i8c h ASN 1049CO -0.09 -0.31 0.20 0.25 -1.65 0.00 0.00 177.43 175.82 3i8c h LEU 1050N -0.18 0.03 -0.22 1.61 6.46 -0.95 0.22 115.31 122.28 3i8c h LEU 1050Ca 0.22 0.15 -0.21 0.00 -0.12 0.00 0.00 57.88 57.92 3i8c h LEU 1050Cb 0.55 0.20 0.01 0.00 -0.73 0.00 0.00 40.66 40.69 3i8c h LEU 1050CO -0.66 -0.05 -0.72 -0.07 -0.62 0.00 0.00 178.44 176.32 3i8c h LEU 1051N 0.27 0.92 -0.52 2.25 3.38 0.14 -0.13 115.31 121.63 3i8c h LEU 1051Ca 0.44 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3i8c h LEU 1051Cb 0.78 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3i8c h LEU 1051CO -0.53 1.37 0.34 0.25 0.09 0.00 0.00 178.44 179.96 3i8c h LEU 1052N 0.56 0.60 0.09 1.67 6.46 -0.26 0.49 115.31 124.91 3i8c h LEU 1052Ca -0.03 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 3i8c h LEU 1052Cb 1.33 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 41.11 3i8c h LEU 1052CO 0.15 0.44 -0.09 -0.78 -0.62 0.00 0.00 178.44 177.53 3i8c h ASP 1053N 0.71 -0.26 -0.14 1.25 3.58 -0.83 -1.97 116.42 118.76 3i8c h ASP 1053Ca 0.19 0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.70 3i8c h ASP 1053Cb -0.08 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 3i8c h ASP 1053CO -0.04 -0.12 0.28 -0.03 -2.88 0.00 0.00 179.24 176.45 3i8c h MET 1054N -0.18 0.00 0.15 0.28 4.05 -0.78 0.66 114.93 119.10 3i8c h MET 1054Ca -0.01 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 3i8c h MET 1054Cb 0.16 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.96 3i8c h MET 1054CO -0.01 0.00 -0.07 1.96 0.23 0.00 0.00 176.91 179.02 3i8c h GLN 1055N 0.00 -0.19 -0.61 0.39 4.20 0.27 -2.02 115.11 117.15 3i8c h GLN 1055Ca 0.07 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 3i8c h GLN 1055Cb 0.62 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 3i8c h GLN 1055CO -0.00 -0.01 0.09 -0.91 -0.67 0.00 0.00 178.83 177.33 3i8c h ASN 1056N -0.34 0.96 -0.32 1.46 -0.26 0.11 -2.46 115.58 114.73 3i8c h ASN 1056Ca -0.02 -0.22 -0.05 0.00 -0.56 0.00 0.00 56.30 55.45 3i8c h ASN 1056Cb 0.27 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 3i8c h ASN 1056CO 0.03 0.96 -0.01 0.03 -1.06 0.00 0.00 177.43 177.39 3i8c h ARG 1057N 0.94 0.58 0.00 0.81 3.08 -1.45 -3.03 114.38 115.32 3i8c h ARG 1057Ca 0.19 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i8c h ARG 1057Cb 0.42 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 3i8c h ARG 1057CO 0.01 0.71 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.55 3i8c h LEU 1058N 0.38 0.00 -0.22 3.04 3.38 -1.03 -2.28 115.31 118.58 3i8c h LEU 1058Ca 0.09 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.84 3i8c h LEU 1058Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3i8c h LEU 1058CO 0.02 0.00 -0.87 0.78 0.09 0.00 0.00 178.44 178.46 3i8c h ASN 1059N 0.00 0.61 -0.08 -0.43 2.35 -1.32 -2.55 115.58 114.17 3i8c h ASN 1059Ca -0.00 -0.45 0.04 0.00 -0.55 0.00 0.00 56.30 55.33 3i8c h ASN 1059Cb 0.01 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.15 3i8c h ASN 1059CO 0.00 1.24 -0.19 0.11 -1.65 0.00 0.00 177.43 176.93 3i8c h LYS 1060N 0.30 -0.26 -0.55 0.81 1.57 -1.45 -3.21 116.57 113.78 3i8c h LYS 1060Ca -0.07 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3i8c h LYS 1060Cb 1.49 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.84 3i8c h LYS 1060CO 0.16 -0.17 0.23 0.28 -0.57 0.00 0.00 179.45 179.37 3i8c h VAL 1061N -0.27 1.22 -3.37 0.50 2.07 -1.54 -3.43 116.25 111.42 3i8c h VAL 1061Ca 0.08 -0.67 -0.56 0.00 0.82 0.00 0.00 66.70 66.38 3i8c h VAL 1061Cb 0.39 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 3i8c h VAL 1061CO -0.23 0.26 0.14 -0.63 0.02 0.00 0.00 177.57 177.12 3i8c s ILE 1062N -5.58 5.01 -0.22 4.57 1.01 -0.96 -5.04 121.20 119.99 3i8c s ILE 1062Ca -0.13 1.56 -0.23 0.00 0.00 0.00 0.00 60.65 61.85 3i8c s ILE 1062Cb 0.12 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 3i8c s ILE 1062CO 0.78 0.24 0.73 -1.59 0.00 0.00 0.00 174.94 175.10 3i8c s LYS 1063N 0.80 4.19 0.00 2.79 0.00 -1.26 -4.87 119.74 121.39 3i8c s LYS 1063Ca 0.40 0.77 0.00 0.00 0.00 0.00 0.00 55.97 57.14 3i8c s LYS 1063Cb -0.18 -3.62 0.00 0.00 0.00 0.00 0.00 37.83 34.03 3i8c s LYS 1063CO 0.20 -0.39 0.00 -1.13 0.00 0.00 0.00 175.35 174.03 3i8c n SER 1064N 5.56 0.00 0.00 0.03 3.41 -1.26 -5.04 113.62 116.32 3i8c n SER 1064Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 3i8c n SER 1064Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3i8c n SER 1064CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3i8c n VAL 1065N -0.15 0.00 1.23 -3.33 0.31 -1.26 -4.43 118.33 110.69 3i8c n VAL 1065Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 3i8c n VAL 1065Cb 0.00 -0.49 0.30 0.00 -0.91 0.00 0.00 33.84 32.74 3i8c n VAL 1065CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i8c n GLY 1066N 2.45 -0.15 0.65 2.92 0.00 -1.26 -4.44 105.19 105.36 3i8c n GLY 1066Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3i8c n GLY 1066CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i8c n LYS 1067N -0.10 0.00 -1.69 1.61 4.76 -1.26 -4.74 118.16 116.74 3i8c n LYS 1067Ca 0.13 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 55.13 3i8c n LYS 1067Cb 0.40 -0.70 -0.03 0.00 -1.84 0.00 0.00 35.03 32.86 3i8c n LYS 1067CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3i8c n ILE 1068N -2.12 0.30 -2.00 -0.18 5.41 -1.26 -4.82 119.36 114.69 3i8c n ILE 1068Ca 0.00 -0.08 -0.42 0.00 1.00 0.00 0.00 62.75 63.25 3i8c n ILE 1068Cb 0.00 -1.70 -0.03 0.00 -0.71 0.00 0.00 39.64 37.20 3i8c n ILE 1068CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3i8c s GLU 1069N 0.55 4.20 0.24 0.38 2.56 -1.26 -4.69 118.70 120.68 3i8c s GLU 1069Ca 0.74 2.22 -0.05 0.00 0.00 0.00 0.00 54.97 57.88 3i8c s GLU 1069Cb -0.60 -3.81 0.37 0.00 2.00 0.00 0.00 34.13 32.09 3i8c s GLU 1069CO 0.40 -0.78 1.82 1.25 -0.56 0.00 0.00 175.26 177.40 3i8c h HIS 1070N 8.93 0.89 0.00 5.30 -0.00 -1.95 -0.26 115.15 128.06 3i8c h HIS 1070Ca -0.40 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 59.94 3i8c h HIS 1070Cb 1.19 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 28.31 3i8c h HIS 1070CO 0.83 0.40 -0.24 0.66 -0.00 0.00 0.00 177.93 179.58 3i8c h SER 1071N 0.84 0.00 0.20 3.26 4.64 -1.98 -1.48 113.55 119.03 3i8c h SER 1071Ca 0.39 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.52 3i8c h SER 1071Cb 0.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3i8c h SER 1071CO -0.22 0.24 -0.71 0.15 -0.87 0.00 0.00 176.83 175.42 3i8c h PHE 1072N 0.00 0.60 -0.37 4.77 3.57 -1.46 -3.20 116.94 120.85 3i8c h PHE 1072Ca -0.00 -0.26 -0.02 0.00 3.53 0.00 0.00 57.97 61.22 3i8c h PHE 1072Cb 0.75 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3i8c h PHE 1072CO 0.00 1.01 0.15 2.35 -2.23 0.00 0.00 178.31 179.59 3i8c h TRP 1073N 0.31 0.56 -0.08 0.41 -0.00 -0.91 -3.23 115.95 113.01 3i8c h TRP 1073Ca -0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.82 3i8c h TRP 1073Cb 1.28 -0.17 0.00 0.00 -0.00 0.00 0.00 29.16 30.27 3i8c h TRP 1073CO 0.05 0.51 0.00 0.54 -0.00 0.00 0.00 178.44 179.54 3i8c n ARG 1074N -4.67 1.20 -3.40 2.65 5.12 -0.60 -4.75 116.66 112.21 3i8c n ARG 1074Ca -0.01 -0.30 -0.37 0.00 -1.93 0.00 0.00 57.85 55.24 3i8c n ARG 1074Cb 0.14 -1.09 -0.06 0.00 -1.16 0.00 0.00 32.46 30.29 3i8c n ARG 1074CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3i8c s SER 1075N -0.96 6.60 -0.16 0.55 0.01 -1.22 -1.73 113.70 116.78 3i8c s SER 1075Ca 0.06 0.71 -0.38 0.00 1.31 0.00 0.00 55.95 57.64 3i8c s SER 1075Cb 0.03 -2.25 -0.15 0.00 0.21 0.00 0.00 66.02 63.86 3i8c s SER 1075CO 0.04 0.05 1.69 0.33 0.41 0.00 0.00 173.24 175.75 3i8c n PHE 1076N 3.56 2.02 -3.74 2.43 7.35 -0.02 -4.46 117.46 124.60 3i8c n PHE 1076Ca -0.09 0.44 -0.14 0.00 -0.76 0.00 0.00 57.45 56.91 3i8c n PHE 1076Cb 0.52 -2.48 -0.14 0.00 0.35 0.00 0.00 39.48 37.73 3i8c n PHE 1076CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 3i8c s HIS 1077N 2.96 -0.18 0.13 -5.13 5.65 -1.26 -1.97 115.29 115.49 3i8c s HIS 1077Ca 0.94 0.52 0.05 0.00 0.25 0.00 0.00 55.06 56.82 3i8c s HIS 1077Cb -0.96 -0.08 -0.04 0.00 -1.18 0.00 0.00 32.58 30.31 3i8c s HIS 1077CO 0.58 -0.18 -0.11 0.95 -0.65 0.00 0.00 174.74 175.34 3i8c s THR 1078N 1.25 1.14 -0.54 0.89 -4.23 -0.12 -4.92 115.64 109.11 3i8c s THR 1078Ca -0.08 -1.91 -0.04 0.00 -1.18 0.00 0.00 61.69 58.48 3i8c s THR 1078Cb -0.12 -1.68 -0.06 0.00 1.34 0.00 0.00 72.50 71.99 3i8c s THR 1078CO -0.06 -0.65 1.86 1.21 -0.54 0.00 0.00 174.62 176.44 3i8c n GLU 1079N 0.10 1.44 0.00 3.99 4.07 -1.26 -2.02 120.64 126.96 3i8c n GLU 1079Ca -0.12 -1.04 0.00 0.00 -0.06 0.00 0.00 57.16 55.93 3i8c n GLU 1079Cb 0.59 -2.19 0.00 0.00 -0.06 0.00 0.00 31.44 29.78 3i8c n GLU 1079CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 3i8c n ARG 1080N 3.98 0.00 -3.64 5.31 1.85 -1.26 -5.16 116.66 117.74 3i8c n ARG 1080Ca 0.31 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 57.09 3i8c n ARG 1080Cb 0.18 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.52 3i8c n ARG 1080CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 3i8c s LYS 1081N 0.00 0.40 -0.23 2.89 2.20 -0.86 -5.15 119.74 118.99 3i8c s LYS 1081Ca 0.00 0.50 -0.03 0.00 -0.36 0.00 0.00 55.97 56.08 3i8c s LYS 1081Cb 0.00 0.18 0.10 0.00 -1.51 0.00 0.00 37.83 36.60 3i8c s LYS 1081CO 0.00 -0.05 0.19 0.99 -0.36 0.00 0.00 175.35 176.11 3i8c s THR 1082N 0.33 -0.23 0.19 3.43 2.01 -1.26 -0.95 115.64 119.17 3i8c s THR 1082Ca 0.02 -0.35 0.09 0.00 0.31 0.00 0.00 61.69 61.76 3i8c s THR 1082Cb -0.05 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 3i8c s THR 1082CO -0.09 -0.40 -0.11 -1.61 -0.69 0.00 0.00 174.62 171.72 3i8c s GLU 1083N 2.24 1.98 0.73 4.92 0.41 -0.83 -5.00 118.70 123.15 3i8c s GLU 1083Ca 0.07 -1.34 -0.11 0.00 -0.41 0.00 0.00 54.97 53.18 3i8c s GLU 1083Cb -0.15 -2.10 0.03 0.00 -1.78 0.00 0.00 34.13 30.13 3i8c s GLU 1083CO -0.22 0.42 1.07 -2.14 -0.49 0.00 0.00 175.26 173.91 3i8c s PRO 1084N -2.91 2.64 0.33 0.39 0.02 -1.26 -0.84 135.00 133.37 3i8c s PRO 1084Ca 0.25 0.97 -0.28 0.00 0.02 0.00 0.00 61.00 61.96 3i8c s PRO 1084Cb -0.08 -1.96 -0.09 0.00 0.02 0.00 0.00 34.50 32.39 3i8c s PRO 1084CO 0.15 -1.31 1.17 0.00 -0.33 0.00 0.00 177.00 176.68 3i8c s ALA 1085N -3.02 3.35 0.06 -1.55 0.00 -1.26 -4.62 121.76 114.72 3i8c s ALA 1085Ca 0.59 1.01 0.04 0.00 0.00 0.00 0.00 51.96 53.60 3i8c s ALA 1085Cb -0.15 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.56 3i8c s ALA 1085CO 0.55 -0.40 -0.11 0.95 0.00 0.00 0.00 175.76 176.76 3i8c s THR 1086N -1.25 0.84 -0.56 0.00 -4.23 -0.71 -4.89 115.64 104.84 3i8c s THR 1086Ca 0.50 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 3i8c s THR 1086Cb -0.33 -0.90 0.00 0.00 1.34 0.00 0.00 72.50 72.60 3i8c s THR 1086CO 0.43 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 3i8c n GLY 1087N 1.27 0.60 3.17 3.99 0.00 -1.26 -0.88 105.19 112.08 3i8c n GLY 1087Ca -0.21 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 3i8c n GLY 1087CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i8c s PHE 1088N -1.66 1.32 -0.07 1.61 0.40 -1.23 0.10 117.98 118.45 3i8c s PHE 1088Ca 0.00 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 3i8c s PHE 1088Cb 0.00 -0.77 0.02 0.00 0.51 0.00 0.00 43.02 42.78 3i8c s PHE 1088CO 0.00 0.05 -0.06 0.42 0.70 0.00 0.00 175.22 176.33 3i8c s ILE 1089N -0.93 0.77 -0.43 0.64 1.01 -0.11 -4.94 121.20 117.21 3i8c s ILE 1089Ca 0.02 -0.20 -0.25 0.00 0.00 0.00 0.00 60.65 60.22 3i8c s ILE 1089Cb -0.08 -0.79 0.02 0.00 0.01 0.00 0.00 42.46 41.62 3i8c s ILE 1089CO 0.02 0.30 0.90 1.51 0.00 0.00 0.00 174.94 177.66 3i8c s ASP 1090N 1.27 6.54 0.57 3.58 3.84 -1.25 0.40 116.67 131.61 3i8c s ASP 1090Ca -0.05 0.23 0.27 0.00 -0.00 0.00 0.00 52.55 53.00 3i8c s ASP 1090Cb -0.14 -2.44 1.55 0.00 -1.38 0.00 0.00 42.92 40.51 3i8c s ASP 1090CO -0.02 -0.96 2.05 1.23 -0.00 0.00 0.00 175.17 177.46 3i8c h GLY 1091N 10.34 0.00 0.41 2.12 0.00 -1.54 0.56 103.07 114.96 3i8c h GLY 1091Ca -0.24 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.18 3i8c h GLY 1091CO 1.00 0.00 0.25 -0.55 0.00 0.00 0.00 176.54 177.24 3i8c h ASP 1092N 0.00 0.27 0.11 0.19 5.19 -1.86 2.63 116.42 122.96 3i8c h ASP 1092Ca 0.14 0.07 -0.17 0.00 -0.62 0.00 0.00 57.03 56.45 3i8c h ASP 1092Cb 0.68 0.04 0.01 0.00 0.18 0.00 0.00 39.33 40.25 3i8c h ASP 1092CO -0.00 0.16 -0.76 0.25 -3.12 0.00 0.00 179.24 175.77 3i8c h LEU 1093N 0.44 0.38 -0.25 1.55 7.12 -1.26 -3.15 115.31 120.15 3i8c h LEU 1093Ca 0.31 -0.94 0.05 0.00 0.13 0.00 0.00 57.88 57.44 3i8c h LEU 1093Cb 0.38 -0.12 -0.08 0.00 -0.53 0.00 0.00 40.66 40.31 3i8c h LEU 1093CO -0.30 1.36 -0.42 0.40 -0.13 0.00 0.00 178.44 179.35 3i8c h ILE 1094N -0.48 0.13 -0.67 4.05 1.08 0.48 -2.02 117.51 120.09 3i8c h ILE 1094Ca -0.14 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.48 3i8c h ILE 1094Cb 1.55 0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 35.39 3i8c h ILE 1094CO 0.11 0.00 0.46 -0.33 -0.69 0.00 0.00 178.15 177.70 3i8c h GLU 1095N -0.42 0.27 -1.00 2.37 5.08 0.45 0.28 114.58 121.62 3i8c h GLU 1095Ca 0.10 -0.02 0.35 0.00 -1.00 0.00 0.00 59.36 58.79 3i8c h GLU 1095Cb 0.61 -0.06 -0.16 0.00 0.50 0.00 0.00 28.75 29.64 3i8c h GLU 1095CO -0.47 0.18 0.53 0.77 -1.00 0.00 0.00 179.01 179.02 3i8c h SER 1096N 0.28 0.41 -0.04 1.42 0.02 -1.31 -2.71 113.55 111.61 3i8c h SER 1096Ca 0.33 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.50 3i8c h SER 1096Cb 0.89 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 3i8c h SER 1096CO -0.08 -0.24 -0.03 0.33 -1.14 0.00 0.00 176.83 175.68 3i8c n PHE 1097N -5.14 -0.02 -0.43 3.45 7.35 0.09 -1.05 117.46 121.71 3i8c n PHE 1097Ca 0.33 0.06 0.35 0.00 -0.76 0.00 0.00 57.45 57.43 3i8c n PHE 1097Cb 1.06 -0.26 0.64 0.00 0.35 0.00 0.00 39.48 41.28 3i8c n PHE 1097CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3i8c h LEU 1098N 0.00 0.24 -1.27 -2.13 3.38 -1.72 0.55 115.31 114.36 3i8c h LEU 1098Ca 0.01 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3i8c h LEU 1098Cb 0.02 0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3i8c h LEU 1098CO -0.04 -0.10 0.00 0.47 0.09 0.00 0.00 178.44 178.86 3i8c n ASP 1099N -4.57 1.75 -4.84 -0.43 8.00 -0.22 -4.83 116.55 111.41 3i8c n ASP 1099Ca 0.34 -2.14 -0.33 0.00 0.71 0.00 0.00 54.79 53.37 3i8c n ASP 1099Cb 1.35 -0.37 -0.06 0.00 -0.02 0.00 0.00 41.12 42.02 3i8c n ASP 1099CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i8c s ILE 1100N -1.59 5.10 0.34 0.53 1.01 0.18 -5.08 121.20 121.70 3i8c s ILE 1100Ca 0.14 -0.26 -0.28 0.00 0.00 0.00 0.00 60.65 60.25 3i8c s ILE 1100Cb 0.09 -3.35 -0.10 0.00 0.01 0.00 0.00 42.46 39.12 3i8c s ILE 1100CO 0.06 0.35 1.27 -0.94 0.00 0.00 0.00 174.94 175.69 3i8c s SER 1101N -1.79 6.74 0.34 3.58 1.04 -1.26 -4.78 113.70 117.56 3i8c s SER 1101Ca 0.24 2.60 0.14 0.00 0.48 0.00 0.00 55.95 59.42 3i8c s SER 1101Cb -0.12 -2.64 1.07 0.00 0.10 0.00 0.00 66.02 64.42 3i8c s SER 1101CO 0.16 -0.55 1.67 -0.09 0.98 0.00 0.00 173.24 175.41 3i8c h ARG 1102N 3.25 0.35 0.49 4.02 2.43 -1.96 0.27 114.38 123.23 3i8c h ARG 1102Ca -0.49 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.64 3i8c h ARG 1102Cb 1.23 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 3i8c h ARG 1102CO 0.65 0.23 -0.31 -1.00 -1.51 0.00 0.00 179.97 178.02 3i8c h PRO 1103N 0.36 -0.74 0.00 0.20 0.13 -1.99 0.95 132.00 130.90 3i8c h PRO 1103Ca 0.72 0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.90 3i8c h PRO 1103Cb 1.62 0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.92 3i8c h PRO 1103CO -0.59 -0.50 -0.03 0.87 -0.23 0.00 0.00 178.00 177.53 3i8c h LYS 1104N -0.77 0.00 0.16 0.86 1.79 -1.54 -1.83 116.57 115.23 3i8c h LYS 1104Ca -0.05 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.19 3i8c h LYS 1104Cb 0.64 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.31 3i8c h LYS 1104CO 0.05 0.03 -1.00 1.98 -1.08 0.00 0.00 179.45 179.42 3i8c h MET 1105N 0.00 0.34 -0.59 3.15 4.05 -0.10 -3.30 114.93 118.47 3i8c h MET 1105Ca -0.00 -0.58 0.11 0.00 -0.28 0.00 0.00 59.70 58.95 3i8c h MET 1105Cb 0.20 0.21 -0.11 0.00 -0.80 0.00 0.00 31.60 31.10 3i8c h MET 1105CO 0.00 1.28 -0.31 1.96 0.23 0.00 0.00 176.91 180.07 3i8c h GLN 1106N -0.27 -0.14 -1.03 0.39 1.08 0.18 -2.29 115.11 113.03 3i8c h GLN 1106Ca -0.18 0.01 0.30 0.00 -1.45 0.00 0.00 58.65 57.33 3i8c h GLN 1106Cb 1.75 0.03 -0.13 0.00 -0.05 0.00 0.00 27.48 29.08 3i8c h GLN 1106CO 0.16 -0.09 0.61 0.93 -0.95 0.00 0.00 178.83 179.49 3i8c h GLU 1107N -0.15 0.39 0.00 1.46 5.08 -1.60 -0.46 114.58 119.31 3i8c h GLU 1107Ca 0.24 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3i8c h GLU 1107Cb 0.54 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3i8c h GLU 1107CO -0.68 0.26 0.00 0.28 -1.00 0.00 0.00 179.01 177.87 3i8c n VAL 1108N -4.92 0.21 -3.92 3.13 0.31 -0.86 -3.95 118.33 108.34 3i8c n VAL 1108Ca 0.30 0.05 -0.27 0.00 -0.01 0.00 0.00 64.34 64.41 3i8c n VAL 1108Cb 0.92 -0.93 -0.17 0.00 -0.91 0.00 0.00 33.84 32.75 3i8c n VAL 1108CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3i8c s VAL 1109N -2.14 1.12 -0.00 2.52 1.01 -0.18 -4.85 120.40 117.88 3i8c s VAL 1109Ca 0.10 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.71 3i8c s VAL 1109Cb 0.05 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 3i8c s VAL 1109CO 0.09 0.36 0.02 0.00 0.00 0.00 0.00 175.10 175.57 3i8c n ALA 1110N 4.91 2.02 -3.31 5.51 0.00 -1.25 -5.00 120.51 123.39 3i8c n ALA 1110Ca -0.13 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.16 3i8c n ALA 1110Cb 0.50 0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 3i8c n ALA 1110CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i8c s ASN 1111N -2.42 0.36 0.00 0.00 4.22 -1.26 -5.10 114.94 110.74 3i8c s ASN 1111Ca -0.00 -1.22 0.00 0.00 -2.14 0.00 0.00 52.86 49.50 3i8c s ASN 1111Cb 0.01 0.72 0.00 0.00 1.28 0.00 0.00 41.25 43.25 3i8c s ASN 1111CO 0.04 -1.40 0.00 -2.11 -2.04 0.00 0.00 177.10 171.59 3i8c n ARG 1122N -0.51 0.00 -2.05 3.55 1.85 -1.26 -4.74 116.66 113.50 3i8c n ARG 1122Ca -0.03 0.00 -0.03 0.00 -1.00 0.00 0.00 57.85 56.79 3i8c n ARG 1122Cb 0.61 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 32.01 3i8c n ARG 1122CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 3i8c n GLU 1123N 0.00 0.13 -3.92 2.89 2.13 -1.26 -5.18 120.64 115.43 3i8c n GLU 1123Ca 0.00 -0.53 -0.14 0.00 0.66 0.00 0.00 57.16 57.16 3i8c n GLU 1123Cb 0.00 0.50 -0.15 0.00 0.27 0.00 0.00 31.44 32.06 3i8c n GLU 1123CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i8c s ALA 1124N -1.83 0.13 0.00 4.31 0.00 -1.26 -5.15 121.76 117.95 3i8c s ALA 1124Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.02 3i8c s ALA 1124Cb -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.04 3i8c s ALA 1124CO 0.04 0.00 0.00 2.41 0.00 0.00 0.00 175.76 178.21 3i8c n THR 1125N 3.28 0.00 0.00 0.00 -1.04 -1.26 -5.09 114.28 110.18 3i8c n THR 1125Ca -0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 3i8c n THR 1125Cb 0.58 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 3i8c n THR 1125CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i8c n ALA 1126N -3.00 0.00 0.07 2.41 0.00 -1.26 -4.82 120.51 113.90 3i8c n ALA 1126Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3i8c n ALA 1126Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3i8c n ALA 1126CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i8c n ASP 1127N -0.93 2.11 -0.26 0.00 9.92 -1.26 -4.39 116.55 121.75 3i8c n ASP 1127Ca 0.00 -0.30 0.04 0.00 -0.53 0.00 0.00 54.79 54.00 3i8c n ASP 1127Cb 0.00 1.06 0.17 0.00 -0.64 0.00 0.00 41.12 41.71 3i8c n ASP 1127CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3i8c h ASP 1128N 0.00 0.40 -0.33 -2.24 3.45 -1.99 -2.53 116.42 113.18 3i8c h ASP 1128Ca 0.00 0.08 -0.11 0.00 0.43 0.00 0.00 57.03 57.43 3i8c h ASP 1128Cb 0.09 0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 38.88 3i8c h ASP 1128CO 0.00 0.20 -0.22 -0.07 -1.57 0.00 0.00 179.24 177.58 3i8c h LEU 1129N 0.54 0.77 -0.56 1.55 -0.00 -1.96 -0.37 115.31 115.27 3i8c h LEU 1129Ca 0.39 -0.43 0.11 0.00 -0.00 0.00 0.00 57.88 57.95 3i8c h LEU 1129Cb 0.51 -0.21 -0.11 0.00 -0.00 0.00 0.00 40.66 40.84 3i8c h LEU 1129CO -0.33 1.03 -0.27 -0.29 -0.00 0.00 0.00 178.44 178.58 3i8c h ILE 1130N 0.51 0.25 0.00 1.22 2.10 -1.73 0.15 117.51 120.00 3i8c h ILE 1130Ca 0.07 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 66.01 3i8c h ILE 1130Cb 0.77 0.25 -0.00 0.00 -1.09 0.00 0.00 36.82 36.75 3i8c h ILE 1130CO 0.06 0.00 -0.01 0.50 -1.08 0.00 0.00 178.15 177.63 3i8c h LYS 1131N -0.13 0.00 0.10 2.19 3.64 -0.95 -1.21 116.57 120.20 3i8c h LYS 1131Ca 0.25 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.36 3i8c h LYS 1131Cb 0.52 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.35 3i8c h LYS 1131CO -0.64 0.01 -1.17 0.28 -2.27 0.00 0.00 179.45 175.65 3i8c h VAL 1132N 0.00 1.41 -0.19 2.00 2.07 0.74 -2.04 116.25 120.24 3i8c h VAL 1132Ca -0.00 -2.73 -0.12 0.00 0.82 0.00 0.00 66.70 64.67 3i8c h VAL 1132Cb 0.01 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 3i8c h VAL 1132CO 0.00 0.81 -0.41 0.58 0.02 0.00 0.00 177.57 178.57 3i8c h VAL 1133N 0.17 1.31 0.49 2.57 2.07 -0.42 -3.18 116.25 119.25 3i8c h VAL 1133Ca -0.14 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 65.80 3i8c h VAL 1133Cb 1.86 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 3i8c h VAL 1133CO 0.20 0.48 -0.43 -0.33 0.02 0.00 0.00 177.57 177.52 3i8c h GLU 1134N 0.38 -0.89 0.00 1.57 5.08 -1.14 -0.62 114.58 118.96 3i8c h GLU 1134Ca 0.03 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3i8c h GLU 1134Cb 0.88 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3i8c h GLU 1134CO 0.07 -0.59 0.06 -1.91 -1.00 0.00 0.00 179.01 175.64 3i8c n GLU 1135N -5.53 0.02 -0.12 2.33 2.13 -0.77 -1.89 120.64 116.81 3i8c n GLU 1135Ca -0.12 0.48 -0.26 0.00 0.66 0.00 0.00 57.16 57.93 3i8c n GLU 1135Cb 0.43 -1.64 -0.11 0.00 0.27 0.00 0.00 31.44 30.39 3i8c n GLU 1135CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3i8c n LEU 1136N -1.59 1.95 0.00 4.31 4.77 -0.76 -4.04 117.00 121.63 3i8c n LEU 1136Ca -0.00 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 3i8c n LEU 1136Cb 0.06 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.25 3i8c n LEU 1136CO 0.02 0.44 0.44 0.35 -1.33 0.00 0.00 177.39 177.31 3i8c n THR 1137N -4.30 0.81 -0.32 -5.08 -2.24 -0.31 0.18 114.28 103.03 3i8c n THR 1137Ca -0.43 0.42 0.06 0.00 -2.27 0.00 0.00 64.05 61.83 3i8c n THR 1137Cb 0.79 -1.42 0.18 0.00 -2.10 0.00 0.00 70.33 67.79 3i8c n THR 1137CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i8c n ARG 1138N -1.16 2.90 0.22 -0.78 1.74 -1.22 -4.20 116.66 114.15 3i8c n ARG 1138Ca 0.00 -2.21 0.11 0.00 -0.77 0.00 0.00 57.85 54.98 3i8c n ARG 1138Cb 0.21 -1.38 0.36 0.00 -1.02 0.00 0.00 32.46 30.64 3i8c n ARG 1138CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3i8c h ILE 1139N 2.10 0.37 0.00 0.55 2.04 -0.47 -3.48 117.51 118.63 3i8c h ILE 1139Ca 0.00 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.69 3i8c h ILE 1139Cb 0.86 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 3i8c h ILE 1139CO 0.04 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.37