#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pye s LYS 1 N 0.00 0.42 0.35 3.17 2.20 -1.26 -5.14 119.74 119.48 2pye s LYS 1 Ca 0.00 0.22 -0.28 0.00 -0.36 0.00 0.00 55.97 55.55 2pye s LYS 1 Cb 0.00 0.20 -0.12 0.00 -1.51 0.00 0.00 37.83 36.40 2pye s LYS 1 CO 0.00 -0.08 1.31 0.94 -0.36 0.00 0.00 175.35 177.17 2pye n GLN 2 N 2.46 2.18 -3.48 4.03 -0.06 -1.26 -4.87 117.38 116.38 2pye n GLN 2 Ca -0.15 0.76 -0.12 0.00 -2.00 0.00 0.00 57.00 55.49 2pye n GLN 2 Cb 0.57 -2.38 -0.10 0.00 -4.06 0.00 0.00 30.24 24.28 2pye n GLN 2 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 2pye s GLU 3 N -1.94 0.28 -0.10 3.69 2.12 -1.26 -5.02 118.70 116.46 2pye s GLU 3 Ca 0.56 0.59 -0.11 0.00 0.36 0.00 0.00 54.97 56.36 2pye s GLU 3 Cb -0.55 -0.42 -0.05 0.00 0.26 0.00 0.00 34.13 33.37 2pye s GLU 3 CO 0.62 -0.52 0.26 0.08 -0.54 0.00 0.00 175.26 175.16 2pye s VAL 4 N 2.49 5.31 -0.04 3.70 1.01 -1.26 -2.86 120.40 128.76 2pye s VAL 4 Ca 0.07 0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.55 2pye s VAL 4 Cb -0.14 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.69 2pye s VAL 4 CO -0.13 0.53 -0.05 -0.89 0.00 0.00 0.00 175.10 174.56 2pye s THR 5 N -0.53 0.52 -0.21 3.92 2.01 0.19 -4.47 115.64 117.07 2pye s THR 5 Ca 0.17 -0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.05 2pye s THR 5 Cb -0.14 -0.53 0.04 0.00 0.01 0.00 0.00 72.50 71.88 2pye s THR 5 CO 0.06 0.21 -0.15 -1.10 -0.69 0.00 0.00 174.62 172.94 2pye s GLN 6 N 0.71 2.58 -0.01 4.92 -0.21 -1.26 -0.90 119.66 125.49 2pye s GLN 6 Ca -0.09 -0.97 0.05 0.00 0.02 0.00 0.00 55.36 54.37 2pye s GLN 6 Cb -0.12 -2.62 -0.01 0.00 1.00 0.00 0.00 33.01 31.26 2pye s GLN 6 CO 0.00 -0.35 -0.17 0.96 -2.12 0.00 0.00 175.29 173.60 2pye s ILE 7 N 1.26 1.38 0.69 1.08 -4.36 -1.25 -4.02 121.20 115.98 2pye s ILE 7 Ca -0.00 -0.77 -0.12 0.00 -0.26 0.00 0.00 60.65 59.49 2pye s ILE 7 Cb -0.16 -1.15 0.01 0.00 1.25 0.00 0.00 42.46 42.41 2pye s ILE 7 CO -0.10 0.37 1.07 -2.16 0.24 0.00 0.00 174.94 174.36 2pye s PRO 8 N -0.47 2.83 0.12 0.37 0.04 -1.26 -3.76 135.00 132.86 2pye s PRO 8 Ca 0.07 1.12 -0.14 0.00 0.04 0.00 0.00 61.00 62.08 2pye s PRO 8 Cb -0.07 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 2pye s PRO 8 CO -0.00 -1.19 1.50 0.00 0.04 0.00 0.00 177.00 177.34 2pye h ALA 9 N -0.48 0.50 -2.43 8.56 0.00 -1.86 -3.43 119.26 120.11 2pye h ALA 9 Ca -0.45 -0.34 -0.50 0.00 0.00 0.00 0.00 54.91 53.63 2pye h ALA 9 Cb 1.22 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.73 2pye h ALA 9 CO 0.55 0.40 -0.75 0.00 0.00 0.00 0.00 179.25 179.45 2pye s ALA 10 N -4.67 2.13 -0.27 0.00 0.00 -1.26 -1.01 121.76 116.67 2pye s ALA 10 Ca -0.13 -1.64 -0.07 0.00 0.00 0.00 0.00 51.96 50.12 2pye s ALA 10 Cb 0.10 -0.14 0.13 0.00 0.00 0.00 0.00 23.12 23.20 2pye s ALA 10 CO 0.82 0.15 0.56 -1.17 0.00 0.00 0.00 175.76 176.12 2pye s LEU 11 N -3.15 -1.02 -0.15 0.00 2.96 0.77 -4.87 118.68 113.24 2pye s LEU 11 Ca 0.22 1.20 0.01 0.00 -0.22 0.00 0.00 54.13 55.33 2pye s LEU 11 Cb -0.03 1.94 -0.00 0.00 0.50 0.00 0.00 46.19 48.60 2pye s LEU 11 CO 0.08 -0.24 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.16 2pye s SER 12 N 2.79 3.60 0.13 3.68 0.15 -1.26 -2.02 113.70 120.76 2pye s SER 12 Ca 0.01 -0.48 -0.11 0.00 0.70 0.00 0.00 55.95 56.08 2pye s SER 12 Cb -0.13 -1.54 0.01 0.00 -1.71 0.00 0.00 66.02 62.64 2pye s SER 12 CO -0.17 0.10 0.28 0.68 1.20 0.00 0.00 173.24 175.32 2pye s VAL 13 N 0.73 0.10 0.37 4.45 -7.23 -1.05 -5.03 120.40 112.73 2pye s VAL 13 Ca -0.07 -1.10 -0.17 0.00 -1.81 0.00 0.00 61.98 58.83 2pye s VAL 13 Cb -0.16 -1.47 -0.10 0.00 0.56 0.00 0.00 36.38 35.21 2pye s VAL 13 CO 0.01 -0.45 0.82 -2.16 -0.31 0.00 0.00 175.10 173.01 2pye s PRO 14 N -3.88 4.08 0.77 4.82 0.04 -1.26 -1.05 135.00 138.51 2pye s PRO 14 Ca 0.08 0.83 -0.14 0.00 0.04 0.00 0.00 61.00 61.81 2pye s PRO 14 Cb 0.03 -2.33 0.06 0.00 0.04 0.00 0.00 34.50 32.30 2pye s PRO 14 CO -0.07 0.08 1.23 -1.83 0.04 0.00 0.00 177.00 176.44 2pye s GLU 15 N -3.09 1.87 0.00 4.56 -1.05 0.23 -3.32 118.70 117.90 2pye s GLU 15 Ca 0.57 1.84 0.00 0.00 -0.15 0.00 0.00 54.97 57.23 2pye s GLU 15 Cb -0.10 -1.79 0.00 0.00 -0.44 0.00 0.00 34.13 31.80 2pye s GLU 15 CO 0.16 -2.06 0.00 0.41 0.95 0.00 0.00 175.26 174.72 2pye n GLY 16 N 0.59 2.53 3.82 -3.83 0.00 -0.12 -4.94 105.19 103.25 2pye n GLY 16 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2pye n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pye s GLU 17 N -0.79 4.20 -0.30 1.61 2.02 -1.21 -4.31 118.70 119.92 2pye s GLU 17 Ca 0.00 1.01 -0.24 0.00 0.02 0.00 0.00 54.97 55.77 2pye s GLU 17 Cb 0.00 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.92 2pye s GLU 17 CO 0.00 0.05 0.81 -0.80 0.02 0.00 0.00 175.26 175.34 2pye s ASN 18 N -2.15 6.69 0.15 -0.19 0.02 -1.26 -0.82 114.94 117.39 2pye s ASN 18 Ca 0.59 0.72 0.01 0.00 -1.02 0.00 0.00 52.86 53.16 2pye s ASN 18 Cb -0.10 -2.42 -0.04 0.00 0.02 0.00 0.00 41.25 38.71 2pye s ASN 18 CO 0.15 -0.61 0.30 -0.76 0.02 0.00 0.00 177.10 176.20 2pye s LEU 19 N 2.97 4.31 -0.08 0.60 1.43 0.69 -4.95 118.68 123.65 2pye s LEU 19 Ca 0.33 0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 53.68 2pye s LEU 19 Cb -0.14 -3.00 0.03 0.00 0.03 0.00 0.00 46.19 43.11 2pye s LEU 19 CO 0.12 0.05 0.01 0.68 0.23 0.00 0.00 176.35 177.43 2pye s VAL 20 N -1.74 0.35 -0.06 -1.59 -7.23 -1.26 -1.16 120.40 107.72 2pye s VAL 20 Ca 0.36 0.11 0.03 0.00 -1.81 0.00 0.00 61.98 60.66 2pye s VAL 20 Cb -0.11 -0.54 -0.03 0.00 0.56 0.00 0.00 36.38 36.26 2pye s VAL 20 CO 0.28 0.23 -0.11 -0.76 -0.31 0.00 0.00 175.10 174.43 2pye s LEU 21 N 1.98 2.90 0.07 1.32 1.43 0.12 -4.97 118.68 121.53 2pye s LEU 21 Ca 0.05 -0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 2pye s LEU 21 Cb -0.12 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.45 2pye s LEU 21 CO -0.05 0.35 0.04 0.20 0.23 0.00 0.00 176.35 177.11 2pye s ASN 22 N -0.77 5.27 -0.14 2.29 0.02 -1.25 -0.27 114.94 120.10 2pye s ASN 22 Ca 0.12 -0.07 -0.05 0.00 -1.02 0.00 0.00 52.86 51.84 2pye s ASN 22 Cb -0.11 -1.35 0.07 0.00 0.02 0.00 0.00 41.25 39.88 2pye s ASN 22 CO 0.01 0.19 0.28 0.00 0.02 0.00 0.00 177.10 177.61 2pye s SER 24 N 2.45 2.49 0.00 0.00 1.04 -0.08 0.73 113.70 120.33 2pye s SER 24 Ca 0.01 -0.82 -0.00 0.00 0.48 0.00 0.00 55.95 55.61 2pye s SER 24 Cb -0.12 -0.13 -0.01 0.00 0.10 0.00 0.00 66.02 65.86 2pye s SER 24 CO -0.09 -0.05 0.00 0.72 0.98 0.00 0.00 173.24 174.80 2pye s PHE 25 N -1.95 0.07 -0.69 5.02 -0.12 0.66 -0.64 117.98 120.34 2pye s PHE 25 Ca 0.13 -0.15 0.25 0.00 -0.05 0.00 0.00 56.93 57.11 2pye s PHE 25 Cb -0.06 -0.06 0.63 0.00 -0.63 0.00 0.00 43.02 42.90 2pye s PHE 25 CO 0.05 -0.07 1.61 1.79 -0.05 0.00 0.00 175.22 178.55 2pye h THR 26 N 4.96 0.00 -3.74 -4.49 1.35 -1.80 -3.41 112.91 105.78 2pye h THR 26 Ca -0.27 -0.50 -0.65 0.00 -0.55 0.00 0.00 66.41 64.43 2pye h THR 26 Cb 1.21 1.36 -0.38 0.00 -1.73 0.00 0.00 68.15 68.60 2pye h THR 26 CO 0.47 0.00 -0.77 -0.62 -0.25 0.00 0.00 175.52 174.35 2pye s ASP 27 N -4.49 4.45 0.21 5.36 3.68 -1.26 -4.99 116.67 119.63 2pye s ASP 27 Ca 0.09 -1.64 0.21 0.00 2.13 0.00 0.00 52.55 53.34 2pye s ASP 27 Cb 0.12 -1.49 0.90 0.00 -1.45 0.00 0.00 42.92 41.00 2pye s ASP 27 CO 0.64 -0.27 1.63 -1.54 0.13 0.00 0.00 175.17 175.76 2pye n SER 28 N 4.42 0.50 -3.97 -0.34 3.41 -1.26 -4.38 113.62 112.00 2pye n SER 28 Ca -0.07 0.64 -0.42 0.00 -0.26 0.00 0.00 58.87 58.76 2pye n SER 28 Cb 0.42 -0.74 -0.01 0.00 -0.26 0.00 0.00 64.21 63.62 2pye n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pye n ALA 29 N -1.71 4.48 -2.47 7.33 0.00 -1.26 -4.85 120.51 122.02 2pye n ALA 29 Ca 0.02 -3.73 -0.29 0.00 0.00 0.00 0.00 53.44 49.44 2pye n ALA 29 Cb 0.18 -3.57 -0.12 0.00 0.00 0.00 0.00 19.45 15.95 2pye n ALA 29 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2pye s ILE 30 N 4.23 2.69 -0.05 0.00 -4.36 -1.26 -1.80 121.20 120.66 2pye s ILE 30 Ca 0.52 -1.62 -0.00 0.00 -0.26 0.00 0.00 60.65 59.28 2pye s ILE 30 Cb 0.11 -2.24 -0.26 0.00 1.25 0.00 0.00 42.46 41.32 2pye s ILE 30 CO -0.00 0.06 0.65 0.22 0.24 0.00 0.00 174.94 176.11 2pye h TYR 31 N 3.65 0.35 -3.06 1.37 5.03 -1.06 -3.43 116.97 119.83 2pye h TYR 31 Ca -0.50 -0.26 -0.06 0.00 2.58 0.00 0.00 58.73 60.50 2pye h TYR 31 Cb 1.18 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.44 2pye h TYR 31 CO 0.61 1.42 0.22 0.27 -1.32 0.00 0.00 178.16 179.36 2pye n ASN 32 N -3.36 -2.10 -3.75 -2.11 2.04 -1.25 -2.44 115.26 102.29 2pye n ASN 32 Ca -0.22 -2.56 -0.12 0.00 -0.44 0.00 0.00 54.58 51.24 2pye n ASN 32 Cb 1.05 3.52 -0.12 0.00 -2.53 0.00 0.00 39.78 41.70 2pye n ASN 32 CO 0.00 0.00 0.00 -0.22 -0.44 0.00 0.00 177.26 176.60 2pye s LEU 33 N 0.00 0.66 -0.02 -4.53 0.20 -0.30 -2.94 118.68 111.75 2pye s LEU 33 Ca 0.17 0.57 0.01 0.00 0.69 0.00 0.00 54.13 55.57 2pye s LEU 33 Cb -0.04 0.89 0.01 0.00 -0.43 0.00 0.00 46.19 46.62 2pye s LEU 33 CO 0.12 -0.13 -0.05 -1.58 -0.29 0.00 0.00 176.35 174.42 2pye s GLN 34 N 0.69 0.56 -0.15 1.98 0.74 0.48 -1.03 119.66 122.92 2pye s GLN 34 Ca -0.04 -0.15 -0.07 0.00 0.05 0.00 0.00 55.36 55.15 2pye s GLN 34 Cb -0.06 -0.57 -0.04 0.00 1.10 0.00 0.00 33.01 33.44 2pye s GLN 34 CO -0.04 0.04 0.09 -1.58 -0.55 0.00 0.00 175.29 173.25 2pye s TRP 35 N 0.29 3.38 0.30 1.67 0.52 -0.32 -0.94 118.94 123.84 2pye s TRP 35 Ca -0.03 0.29 0.06 0.00 0.02 0.00 0.00 56.10 56.43 2pye s TRP 35 Cb -0.07 -2.01 -0.06 0.00 -1.15 0.00 0.00 33.47 30.18 2pye s TRP 35 CO -0.00 0.41 -0.03 -0.06 0.02 0.00 0.00 176.95 177.29 2pye s PHE 36 N -0.25 1.98 0.02 -1.98 0.40 0.73 -0.03 117.98 118.85 2pye s PHE 36 Ca 0.09 -0.75 0.06 0.00 -0.60 0.00 0.00 56.93 55.73 2pye s PHE 36 Cb -0.12 -1.19 -0.02 0.00 0.51 0.00 0.00 43.02 42.20 2pye s PHE 36 CO 0.01 0.23 -0.18 0.50 0.70 0.00 0.00 175.22 176.48 2pye s ARG 37 N -3.76 1.27 -0.17 0.44 3.52 0.13 -1.57 118.95 118.81 2pye s ARG 37 Ca 0.31 -0.78 -0.07 0.00 -0.13 0.00 0.00 55.73 55.06 2pye s ARG 37 Cb 0.05 -1.30 0.07 0.00 -1.56 0.00 0.00 34.95 32.21 2pye s ARG 37 CO 0.13 0.34 0.37 -1.14 -0.81 0.00 0.00 175.30 174.19 2pye s GLN 38 N -0.89 0.31 0.19 5.12 0.74 -0.45 -0.75 119.66 123.93 2pye s GLN 38 Ca 0.06 0.84 0.05 0.00 0.05 0.00 0.00 55.36 56.35 2pye s GLN 38 Cb -0.08 0.08 -0.04 0.00 1.10 0.00 0.00 33.01 34.08 2pye s GLN 38 CO 0.01 -0.21 0.23 -0.51 -0.55 0.00 0.00 175.29 174.26 2pye s ASP 39 N 1.93 5.88 0.06 6.67 1.11 -1.26 -1.47 116.67 129.60 2pye s ASP 39 Ca -0.05 -0.04 -0.35 0.00 0.18 0.00 0.00 52.55 52.29 2pye s ASP 39 Cb -0.10 -1.63 -0.14 0.00 1.07 0.00 0.00 42.92 42.12 2pye s ASP 39 CO -0.12 0.02 1.63 -2.65 1.18 0.00 0.00 175.17 175.23 2pye n PRO 40 N -0.77 1.96 -1.56 8.23 -0.02 -1.26 -2.07 135.00 139.50 2pye n PRO 40 Ca -0.08 0.71 -0.11 0.00 -2.02 0.00 0.00 63.50 62.00 2pye n PRO 40 Cb 0.56 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 2pye n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pye n GLY 41 N 3.58 0.89 3.38 -1.23 0.00 -1.26 -5.01 105.19 105.54 2pye n GLY 41 Ca 0.19 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 2pye n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pye s LYS 42 N -3.38 1.65 0.00 1.61 1.02 -0.88 -5.17 119.74 114.58 2pye s LYS 42 Ca 0.00 -1.94 0.00 0.00 0.02 0.00 0.00 55.97 54.05 2pye s LYS 42 Cb 0.00 -0.33 0.00 0.00 -0.52 0.00 0.00 37.83 36.98 2pye s LYS 42 CO 0.00 -0.40 0.00 0.41 -0.92 0.00 0.00 175.35 174.44 2pye n GLY 43 N -0.65 -0.89 3.57 -3.33 0.00 -1.26 -4.65 105.19 97.98 2pye n GLY 43 Ca -0.01 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 2pye n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pye s LEU 44 N 0.00 3.57 -0.17 0.99 1.02 -1.26 -4.24 118.68 118.58 2pye s LEU 44 Ca 0.00 -0.01 -0.05 0.00 0.02 0.00 0.00 54.13 54.08 2pye s LEU 44 Cb 0.00 -1.89 -0.03 0.00 0.02 0.00 0.00 46.19 44.29 2pye s LEU 44 CO 0.00 0.17 0.01 -0.89 0.02 0.00 0.00 176.35 175.66 2pye s THR 45 N 0.38 4.25 0.23 5.49 2.01 0.07 -4.92 115.64 123.14 2pye s THR 45 Ca -0.00 -0.23 -0.30 0.00 0.31 0.00 0.00 61.69 61.47 2pye s THR 45 Cb -0.13 -2.89 -0.09 0.00 0.01 0.00 0.00 72.50 69.40 2pye s THR 45 CO 0.01 0.47 1.00 -0.55 -0.69 0.00 0.00 174.62 174.87 2pye s SER 46 N 0.47 7.48 -0.10 3.53 0.15 -1.26 0.22 113.70 124.18 2pye s SER 46 Ca -0.01 2.03 -0.12 0.00 0.70 0.00 0.00 55.95 58.56 2pye s SER 46 Cb -0.14 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.52 2pye s SER 46 CO 0.02 0.01 -0.24 0.18 1.20 0.00 0.00 173.24 174.41 2pye n LEU 47 N 1.67 1.63 -3.93 3.45 4.77 0.96 -4.90 117.00 120.65 2pye n LEU 47 Ca -0.01 0.26 -0.10 0.00 -0.03 0.00 0.00 56.01 56.14 2pye n LEU 47 Cb 0.47 -0.61 -0.10 0.00 -2.33 0.00 0.00 43.42 40.85 2pye n LEU 47 CO 0.52 -0.31 -0.28 -0.76 -1.33 0.00 0.00 177.39 175.23 2pye s LEU 48 N -7.54 1.94 -0.10 2.23 1.43 -1.17 -4.94 118.68 110.53 2pye s LEU 48 Ca -0.21 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 2pye s LEU 48 Cb 0.04 0.36 0.02 0.00 0.03 0.00 0.00 46.19 46.64 2pye s LEU 48 CO 0.30 -0.34 -0.10 -0.22 0.23 0.00 0.00 176.35 176.22 2pye s LEU 49 N -1.49 1.37 -0.17 1.79 1.98 -1.26 -1.18 118.68 119.72 2pye s LEU 49 Ca -0.15 -0.32 0.01 0.00 -2.89 0.00 0.00 54.13 50.78 2pye s LEU 49 Cb -0.08 -0.87 0.03 0.00 0.66 0.00 0.00 46.19 45.93 2pye s LEU 49 CO -0.00 -0.07 -0.14 0.27 -1.89 0.00 0.00 176.35 174.53 2pye s ILE 50 N 1.37 1.68 0.59 6.68 -4.36 -0.20 -4.90 121.20 122.06 2pye s ILE 50 Ca -0.01 -0.82 -0.10 0.00 -0.26 0.00 0.00 60.65 59.45 2pye s ILE 50 Cb -0.14 -1.63 -0.04 0.00 1.25 0.00 0.00 42.46 41.91 2pye s ILE 50 CO -0.05 0.36 0.99 -1.10 0.24 0.00 0.00 174.94 175.38 2pye s GLN 51 N 1.42 3.61 0.60 0.37 -0.21 -1.26 -1.15 119.66 123.03 2pye s GLN 51 Ca 0.03 0.67 0.31 0.00 0.02 0.00 0.00 55.36 56.38 2pye s GLN 51 Cb -0.14 -2.13 1.84 0.00 1.00 0.00 0.00 33.01 33.58 2pye s GLN 51 CO -0.10 -0.49 2.21 0.66 -2.12 0.00 0.00 175.29 175.45 2pye h SER 52 N -0.17 0.00 0.10 5.90 4.64 -1.74 -2.88 113.55 119.40 2pye h SER 52 Ca -0.45 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2pye h SER 52 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2pye h SER 52 CO 0.62 0.00 -0.05 0.77 -0.87 0.00 0.00 176.83 177.30 2pye h SER 53 N 0.00 -0.11 -4.31 4.97 4.64 -1.93 -3.46 113.55 113.34 2pye h SER 53 Ca 0.03 -0.39 -0.51 0.00 -0.47 0.00 0.00 61.79 60.45 2pye h SER 53 Cb 0.17 0.03 0.08 0.00 -0.31 0.00 0.00 62.40 62.36 2pye h SER 53 CO -0.00 0.52 0.38 0.00 -0.87 0.00 0.00 176.83 176.86 2pye s GLN 54 N -2.69 3.20 -0.00 4.77 -2.07 -1.09 -5.03 119.66 116.76 2pye s GLN 54 Ca -0.11 0.96 0.00 0.00 -1.82 0.00 0.00 55.36 54.40 2pye s GLN 54 Cb -0.00 -2.02 0.00 0.00 -1.09 0.00 0.00 33.01 29.89 2pye s GLN 54 CO 0.39 -0.89 0.90 0.54 -1.32 0.00 0.00 175.29 174.92 2pye n ARG 55 N -2.75 2.39 -3.62 9.60 1.74 -1.26 -4.49 116.66 118.26 2pye n ARG 55 Ca 0.07 -1.31 -0.08 0.00 -0.77 0.00 0.00 57.85 55.76 2pye n ARG 55 Cb 0.54 -0.90 -0.06 0.00 -1.02 0.00 0.00 32.46 31.01 2pye n ARG 55 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2pye s GLU 56 N -0.82 0.42 0.03 5.56 -1.05 -1.26 -1.34 118.70 120.24 2pye s GLU 56 Ca 0.00 0.33 0.00 0.00 -0.15 0.00 0.00 54.97 55.16 2pye s GLU 56 Cb 0.00 0.20 -0.02 0.00 -0.44 0.00 0.00 34.13 33.87 2pye s GLU 56 CO 0.00 -0.08 -0.04 -1.14 0.95 0.00 0.00 175.26 174.95 2pye s GLN 57 N -0.28 0.39 0.03 -4.83 0.74 -0.77 -5.01 119.66 109.93 2pye s GLN 57 Ca 0.03 -0.71 0.03 0.00 0.05 0.00 0.00 55.36 54.76 2pye s GLN 57 Cb -0.03 0.03 -0.02 0.00 1.10 0.00 0.00 33.01 34.09 2pye s GLN 57 CO -0.06 -0.03 -0.09 0.99 -0.55 0.00 0.00 175.29 175.55 2pye s THR 58 N -1.72 0.67 -0.43 -0.34 2.01 -1.26 -1.73 115.64 112.84 2pye s THR 58 Ca -0.12 -0.79 0.07 0.00 0.31 0.00 0.00 61.69 61.16 2pye s THR 58 Cb -0.08 -0.65 0.18 0.00 0.01 0.00 0.00 72.50 71.96 2pye s THR 58 CO -0.02 -0.11 0.59 -0.55 -0.69 0.00 0.00 174.62 173.84 2pye s SER 59 N -0.99 -0.83 1.43 3.53 0.15 -0.13 -5.01 113.70 111.86 2pye s SER 59 Ca -0.03 -1.30 0.00 0.00 0.70 0.00 0.00 55.95 55.33 2pye s SER 59 Cb -0.07 1.55 0.00 0.00 -1.71 0.00 0.00 66.02 65.79 2pye s SER 59 CO 0.00 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2pye n GLY 60 N 3.94 1.73 0.00 9.45 0.00 -1.26 -2.47 105.19 116.58 2pye n GLY 60 Ca 0.14 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.84 2pye n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pye n ARG 61 N 12.85 0.52 -4.12 1.61 1.74 -1.26 -4.78 116.66 123.23 2pye n ARG 61 Ca 0.00 0.04 -0.34 0.00 -0.77 0.00 0.00 57.85 56.77 2pye n ARG 61 Cb 0.00 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 29.87 2pye n ARG 61 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2pye s LEU 62 N -2.33 3.95 -0.26 0.55 1.43 -1.03 -0.78 118.68 120.20 2pye s LEU 62 Ca 0.29 0.23 -0.17 0.00 -1.03 0.00 0.00 54.13 53.45 2pye s LEU 62 Cb 0.16 -2.11 0.07 0.00 0.03 0.00 0.00 46.19 44.35 2pye s LEU 62 CO 0.33 0.34 0.66 0.54 0.23 0.00 0.00 176.35 178.44 2pye s ASN 63 N -1.33 -0.84 0.28 2.29 6.03 -0.81 -0.95 114.94 119.62 2pye s ASN 63 Ca 0.18 1.41 0.11 0.00 -1.03 0.00 0.00 52.86 53.54 2pye s ASN 63 Cb -0.12 1.32 -0.05 0.00 -3.03 0.00 0.00 41.25 39.37 2pye s ASN 63 CO 0.08 -0.23 -0.13 0.00 -2.03 0.00 0.00 177.10 174.79 2pye s ALA 64 N 1.29 2.90 -0.03 3.54 0.00 -0.70 -0.19 121.76 128.58 2pye s ALA 64 Ca -0.07 -1.84 -0.01 0.00 0.00 0.00 0.00 51.96 50.04 2pye s ALA 64 Cb -0.05 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.70 2pye s ALA 64 CO -0.14 0.25 0.05 -1.54 0.00 0.00 0.00 175.76 174.38 2pye s SER 65 N -3.57 0.02 -0.22 0.00 1.04 -0.96 -1.85 113.70 108.15 2pye s SER 65 Ca 0.31 0.10 -0.08 0.00 0.48 0.00 0.00 55.95 56.75 2pye s SER 65 Cb -0.05 0.00 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 2pye s SER 65 CO 0.17 -0.12 0.09 -0.22 0.98 0.00 0.00 173.24 174.14 2pye s LEU 66 N 0.95 3.72 -0.67 2.42 2.96 -0.45 -2.40 118.68 125.20 2pye s LEU 66 Ca -0.08 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.84 2pye s LEU 66 Cb -0.11 -1.98 0.29 0.00 0.50 0.00 0.00 46.19 44.90 2pye s LEU 66 CO -0.03 0.06 0.95 -0.67 -1.32 0.00 0.00 176.35 175.33 2pye n ASP 67 N 4.30 4.47 -0.31 3.68 4.64 -0.51 -4.66 116.55 128.16 2pye n ASP 67 Ca -0.16 -3.55 -0.02 0.00 -1.38 0.00 0.00 54.79 49.68 2pye n ASP 67 Cb 0.52 -0.70 0.03 0.00 -1.04 0.00 0.00 41.12 39.93 2pye n ASP 67 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 2pye h LYS 68 N 3.82 -0.06 -0.85 -0.67 3.64 -1.94 -0.50 116.57 120.01 2pye h LYS 68 Ca 0.19 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.75 2pye h LYS 68 Cb 0.58 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.35 2pye h LYS 68 CO 0.89 -0.04 0.56 0.66 -2.27 0.00 0.00 179.45 179.25 2pye h SER 69 N -0.06 0.46 0.17 4.20 4.64 -1.92 -0.66 113.55 120.38 2pye h SER 69 Ca 0.31 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2pye h SER 69 Cb 0.58 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2pye h SER 69 CO -0.86 0.21 -0.38 -1.20 -0.87 0.00 0.00 176.83 173.73 2pye n SER 70 N -4.52 1.27 -2.56 4.97 7.64 -0.29 -4.98 113.62 115.16 2pye n SER 70 Ca 0.17 -1.03 -0.13 0.00 1.01 0.00 0.00 58.87 58.89 2pye n SER 70 Cb 0.59 0.29 0.06 0.00 -1.01 0.00 0.00 64.21 64.13 2pye n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pye n GLY 71 N 1.38 -0.06 3.49 0.23 0.00 -0.26 -4.90 105.19 105.08 2pye n GLY 71 Ca 0.10 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 2pye n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pye s SER 72 N -3.54 -0.60 0.02 1.61 1.04 -1.15 -0.24 113.70 110.83 2pye s SER 72 Ca 0.20 0.87 0.03 0.00 0.48 0.00 0.00 55.95 57.54 2pye s SER 72 Cb -0.09 0.83 -0.01 0.00 0.10 0.00 0.00 66.02 66.85 2pye s SER 72 CO 0.48 -0.42 -0.10 -0.55 0.98 0.00 0.00 173.24 173.62 2pye s SER 73 N -0.56 1.23 -0.12 7.02 0.15 0.22 -1.43 113.70 120.21 2pye s SER 73 Ca -0.07 -0.32 0.02 0.00 0.70 0.00 0.00 55.95 56.29 2pye s SER 73 Cb -0.03 -0.09 0.01 0.00 -1.71 0.00 0.00 66.02 64.20 2pye s SER 73 CO 0.05 0.04 -0.20 -0.89 1.20 0.00 0.00 173.24 173.44 2pye s THR 74 N -0.60 1.86 -0.22 6.45 2.01 -1.01 -1.02 115.64 123.12 2pye s THR 74 Ca 0.01 -0.87 -0.11 0.00 0.31 0.00 0.00 61.69 61.03 2pye s THR 74 Cb -0.06 -1.66 -0.05 0.00 0.01 0.00 0.00 72.50 70.74 2pye s THR 74 CO 0.00 0.51 0.17 -0.22 -0.69 0.00 0.00 174.62 174.40 2pye s LEU 75 N 0.82 4.16 -0.13 4.42 2.96 0.63 -2.27 118.68 129.27 2pye s LEU 75 Ca -0.08 0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 54.01 2pye s LEU 75 Cb -0.16 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 2pye s LEU 75 CO -0.01 0.10 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.77 2pye s TYR 76 N 0.78 3.01 -0.23 5.38 1.51 0.74 0.13 117.35 128.66 2pye s TYR 76 Ca 0.09 -0.21 0.01 0.00 -1.01 0.00 0.00 57.07 55.95 2pye s TYR 76 Cb -0.13 -1.89 0.05 0.00 -0.11 0.00 0.00 41.96 39.89 2pye s TYR 76 CO 0.02 0.07 -0.08 0.42 -1.11 0.00 0.00 175.55 174.87 2pye s ILE 77 N 0.02 1.70 0.29 2.71 1.01 -0.31 -1.92 121.20 124.70 2pye s ILE 77 Ca 0.00 -1.22 -0.28 0.00 0.00 0.00 0.00 60.65 59.15 2pye s ILE 77 Cb -0.13 -1.86 -0.09 0.00 0.01 0.00 0.00 42.46 40.38 2pye s ILE 77 CO 0.03 0.02 0.94 0.00 0.00 0.00 0.00 174.94 175.93 2pye s ALA 78 N 1.34 3.27 -0.89 9.38 0.00 0.04 -0.23 121.76 134.67 2pye s ALA 78 Ca -0.05 0.57 -0.20 0.00 0.00 0.00 0.00 51.96 52.28 2pye s ALA 78 Cb -0.18 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 19.77 2pye s ALA 78 CO -0.07 0.19 0.53 0.00 0.00 0.00 0.00 175.76 176.41 2pye n ALA 79 N 0.96 -2.36 -1.36 0.00 0.00 -1.25 -4.80 120.51 111.70 2pye n ALA 79 Ca 0.00 -0.41 -0.41 0.00 0.00 0.00 0.00 53.44 52.62 2pye n ALA 79 Cb 0.49 -1.59 0.01 0.00 0.00 0.00 0.00 19.45 18.35 2pye n ALA 79 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2pye n SER 80 N -1.70 -2.12 -4.29 0.00 3.41 0.00 -4.42 113.62 104.51 2pye n SER 80 Ca -0.14 0.81 -0.16 0.00 -0.26 0.00 0.00 58.87 59.12 2pye n SER 80 Cb 0.49 -0.99 -0.10 0.00 -0.26 0.00 0.00 64.21 63.35 2pye n SER 80 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2pye s GLN 81 N -1.32 1.17 0.53 4.33 -0.21 -1.26 -0.94 119.66 121.95 2pye s GLN 81 Ca 0.61 -1.52 0.21 0.00 0.02 0.00 0.00 55.36 54.69 2pye s GLN 81 Cb -0.58 -0.77 1.40 0.00 1.00 0.00 0.00 33.01 34.05 2pye s GLN 81 CO 0.61 0.09 2.14 -1.35 -2.12 0.00 0.00 175.29 174.66 2pye h PRO 82 N 2.68 0.00 0.00 2.91 0.11 -1.91 -1.52 132.00 134.28 2pye h PRO 82 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2pye h PRO 82 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2pye h PRO 82 CO 0.63 0.05 0.00 0.41 -0.21 0.00 0.00 178.00 178.89 2pye n GLY 83 N -1.27 -0.83 0.49 -0.55 0.00 -1.26 -1.96 105.19 99.81 2pye n GLY 83 Ca -0.03 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.08 2pye n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pye n ASP 84 N -1.46 1.68 -4.67 1.61 8.00 -0.57 -4.90 116.55 116.24 2pye n ASP 84 Ca 0.03 -1.40 -0.42 0.00 0.71 0.00 0.00 54.79 53.71 2pye n ASP 84 Cb 0.12 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 2pye n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2pye s SER 85 N -2.22 6.71 0.00 -2.24 0.01 -0.83 -4.86 113.70 110.26 2pye s SER 85 Ca 0.29 2.22 0.00 0.00 1.31 0.00 0.00 55.95 59.77 2pye s SER 85 Cb 0.20 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.89 2pye s SER 85 CO 0.42 -0.87 0.00 0.00 0.41 0.00 0.00 173.24 173.20 2pye n ALA 86 N 6.54 0.00 -2.69 1.44 0.00 -0.56 -4.96 120.51 120.28 2pye n ALA 86 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.23 2pye n ALA 86 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 2pye n ALA 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2pye s THR 87 N -2.00 5.25 -0.25 0.00 2.01 -0.54 -0.65 115.64 119.46 2pye s THR 87 Ca 0.00 0.60 -0.08 0.00 0.31 0.00 0.00 61.69 62.53 2pye s THR 87 Cb 0.00 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 2pye s THR 87 CO 0.00 0.31 0.09 -0.31 -0.69 0.00 0.00 174.62 174.02 2pye s TYR 88 N 0.98 3.11 0.01 4.92 1.51 0.12 -1.34 117.35 126.65 2pye s TYR 88 Ca 0.17 -0.33 0.04 0.00 -1.01 0.00 0.00 57.07 55.94 2pye s TYR 88 Cb -0.14 -2.26 -0.03 0.00 -0.11 0.00 0.00 41.96 39.42 2pye s TYR 88 CO 0.06 -0.32 -0.09 -0.51 -1.11 0.00 0.00 175.55 173.58 2pye s LEU 89 N 1.61 3.06 0.02 -1.29 1.43 -0.61 -1.03 118.68 121.87 2pye s LEU 89 Ca 0.06 -0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.04 2pye s LEU 89 Cb -0.15 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 2pye s LEU 89 CO 0.05 0.28 -0.19 0.00 0.23 0.00 0.00 176.35 176.72 2pye s ALA 91 N -0.68 0.38 0.09 0.00 0.00 -0.11 -2.26 121.76 119.18 2pye s ALA 91 Ca 0.07 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 51.00 2pye s ALA 91 Cb -0.08 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 2pye s ALA 91 CO 0.01 -0.36 -0.09 0.14 0.00 0.00 0.00 175.76 175.46 2pye s VAL 92 N -3.60 0.84 0.02 0.00 -7.23 -1.05 -0.39 120.40 109.00 2pye s VAL 92 Ca 0.04 -1.64 0.07 0.00 -1.81 0.00 0.00 61.98 58.64 2pye s VAL 92 Cb 0.05 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.62 2pye s VAL 92 CO -0.09 -0.61 -0.20 -0.13 -0.31 0.00 0.00 175.10 173.77 2pye s ARG 93 N -2.89 2.09 0.45 4.82 1.81 -1.15 -1.41 118.95 122.67 2pye s ARG 93 Ca 0.05 -0.96 -0.21 0.00 -1.72 0.00 0.00 55.73 52.90 2pye s ARG 93 Cb -0.02 -2.17 -0.10 0.00 -0.45 0.00 0.00 34.95 32.21 2pye s ARG 93 CO -0.01 0.55 0.99 -1.25 -0.68 0.00 0.00 175.30 174.90 2pye s PRO 94 N -1.24 4.05 -0.13 3.54 0.04 -1.26 -0.64 135.00 139.35 2pye s PRO 94 Ca 0.13 1.22 0.17 0.00 0.04 0.00 0.00 61.00 62.57 2pye s PRO 94 Cb -0.10 -2.14 -0.24 0.00 0.04 0.00 0.00 34.50 32.05 2pye s PRO 94 CO 0.04 -0.20 0.28 -0.11 0.04 0.00 0.00 177.00 177.05 2pye n LEU 95 N -0.78 0.24 0.00 -3.56 7.94 -0.74 -4.24 117.00 115.86 2pye n LEU 95 Ca 0.08 0.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 2pye n LEU 95 Cb 0.53 0.36 0.00 0.00 0.53 0.00 0.00 43.42 44.84 2pye n LEU 95 CO 0.38 0.41 -0.41 0.18 -1.11 0.00 0.00 177.39 176.84 2pye n LEU 96 N -2.78 0.09 0.18 -1.96 4.77 -1.26 -4.85 117.00 111.19 2pye n LEU 96 Ca -0.26 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.83 2pye n LEU 96 Cb 1.06 0.00 0.56 0.00 -2.33 0.00 0.00 43.42 42.72 2pye n LEU 96 CO 0.44 0.02 0.85 -2.24 -1.33 0.00 0.00 177.39 175.12 2pye h ASP 97 N 0.00 0.00 -0.11 -1.43 -0.00 -1.91 -3.46 116.42 109.51 2pye h ASP 97 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.03 56.98 2pye h ASP 97 Cb 0.82 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 40.13 2pye h ASP 97 CO 0.00 0.00 -0.04 0.61 -0.00 0.00 0.00 179.24 179.81 2pye n GLY 98 N -1.28 0.49 0.08 7.15 0.00 -1.26 -4.87 105.19 105.50 2pye n GLY 98 Ca -0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 2pye n GLY 98 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2pye n THR 99 N -2.61 1.03 -0.86 2.61 -2.24 -1.26 -5.00 114.28 105.95 2pye n THR 99 Ca -0.02 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 2pye n THR 99 Cb 0.24 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 2pye n THR 99 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2pye n TYR 100 N -2.59 0.00 -2.33 4.78 4.02 -1.26 -4.97 117.16 114.81 2pye n TYR 100 Ca -0.25 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.22 2pye n TYR 100 Cb 0.99 -1.23 -0.03 0.00 -0.02 0.00 0.00 39.34 39.05 2pye n TYR 100 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2pye s ILE 101 N -1.57 3.97 0.74 -0.72 1.01 -1.26 -4.81 121.20 118.56 2pye s ILE 101 Ca 0.00 1.32 -0.11 0.00 0.00 0.00 0.00 60.65 61.86 2pye s ILE 101 Cb 0.00 -3.85 0.04 0.00 0.01 0.00 0.00 42.46 38.66 2pye s ILE 101 CO 0.00 -0.01 1.08 -2.84 0.00 0.00 0.00 174.94 173.17 2pye s PRO 102 N 2.35 2.53 -0.18 2.79 0.02 -1.26 -4.35 135.00 136.89 2pye s PRO 102 Ca 0.60 0.76 -0.01 0.00 0.02 0.00 0.00 61.00 62.38 2pye s PRO 102 Cb -0.28 -1.96 0.05 0.00 0.02 0.00 0.00 34.50 32.33 2pye s PRO 102 CO 0.24 -1.34 -0.04 0.99 -0.33 0.00 0.00 177.00 176.52 2pye s THR 103 N -3.12 1.12 0.28 0.99 2.01 -0.50 -4.97 115.64 111.45 2pye s THR 103 Ca 0.59 -0.75 -0.08 0.00 0.31 0.00 0.00 61.69 61.76 2pye s THR 103 Cb -0.14 -1.36 -0.06 0.00 0.01 0.00 0.00 72.50 70.95 2pye s THR 103 CO 0.54 0.03 0.59 -0.36 -0.69 0.00 0.00 174.62 174.73 2pye s PHE 104 N 1.61 3.45 0.54 4.92 0.08 -1.26 -2.53 117.98 124.79 2pye s PHE 104 Ca -0.01 0.81 0.03 0.00 0.12 0.00 0.00 56.93 57.87 2pye s PHE 104 Cb -0.16 -2.22 0.04 0.00 -0.57 0.00 0.00 43.02 40.10 2pye s PHE 104 CO -0.07 0.17 0.75 0.20 -0.10 0.00 0.00 175.22 176.17 2pye s GLY 105 N -2.81 1.84 0.55 4.36 0.00 -0.96 -4.61 107.32 105.69 2pye s GLY 105 Ca 0.47 -1.43 0.33 0.00 0.00 0.00 0.00 44.72 44.09 2pye s GLY 105 CO 0.26 -1.14 2.01 3.21 0.00 0.00 0.00 173.10 177.43 2pye h ARG 106 N 0.14 0.00 0.00 2.90 3.08 -1.92 -3.45 114.38 115.13 2pye h ARG 106 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.64 2pye h ARG 106 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 2pye h ARG 106 CO 0.50 0.04 0.00 0.41 -1.07 0.00 0.00 179.97 179.85 2pye n GLY 107 N -0.10 0.49 3.25 0.04 0.00 -1.26 -5.00 105.19 102.60 2pye n GLY 107 Ca 0.00 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 2pye n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pye s THR 108 N -2.92 2.86 -0.29 2.61 2.01 -0.20 -4.76 115.64 114.95 2pye s THR 108 Ca 0.00 -0.67 -0.26 0.00 0.31 0.00 0.00 61.69 61.06 2pye s THR 108 Cb 0.00 -2.26 0.01 0.00 0.01 0.00 0.00 72.50 70.25 2pye s THR 108 CO 0.00 0.47 0.94 -0.55 -0.69 0.00 0.00 174.62 174.79 2pye s SER 109 N 1.31 6.85 -0.07 3.53 0.15 -0.18 -0.70 113.70 124.59 2pye s SER 109 Ca 0.04 0.97 0.03 0.00 0.70 0.00 0.00 55.95 57.68 2pye s SER 109 Cb -0.14 -2.48 -0.02 0.00 -1.71 0.00 0.00 66.02 61.67 2pye s SER 109 CO -0.06 -0.70 -0.14 -0.22 1.20 0.00 0.00 173.24 173.32 2pye s LEU 110 N 3.23 2.74 -0.17 3.45 2.96 0.17 -0.16 118.68 130.89 2pye s LEU 110 Ca 0.39 -0.22 -0.05 0.00 -0.22 0.00 0.00 54.13 54.04 2pye s LEU 110 Cb -0.14 -1.57 0.06 0.00 0.50 0.00 0.00 46.19 45.04 2pye s LEU 110 CO 0.12 0.31 0.08 -0.63 -1.32 0.00 0.00 176.35 174.90 2pye s ILE 111 N -0.51 0.04 -0.33 6.68 1.01 -0.86 -1.50 121.20 125.74 2pye s ILE 111 Ca 0.07 -0.24 -0.13 0.00 0.00 0.00 0.00 60.65 60.34 2pye s ILE 111 Cb -0.12 -0.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 2pye s ILE 111 CO 0.02 -0.26 0.25 -0.69 0.00 0.00 0.00 174.94 174.25 2pye s VAL 112 N 2.08 5.28 0.08 2.92 1.01 -1.26 -2.55 120.40 127.96 2pye s VAL 112 Ca 0.01 -0.10 -0.20 0.00 0.00 0.00 0.00 61.98 61.69 2pye s VAL 112 Cb -0.16 -3.70 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 2pye s VAL 112 CO -0.09 0.03 0.59 -1.00 0.00 0.00 0.00 175.10 174.64 2pye s HIS 113 N 1.77 3.82 0.51 5.22 3.76 -0.22 -4.26 115.29 125.89 2pye s HIS 113 Ca 0.07 1.32 -0.18 0.00 -0.15 0.00 0.00 55.06 56.12 2pye s HIS 113 Cb -0.17 -2.53 -0.08 0.00 1.11 0.00 0.00 32.58 30.91 2pye s HIS 113 CO 0.11 0.57 1.01 -1.25 -0.85 0.00 0.00 174.74 174.33 2pye s PRO 114 N -1.08 3.81 -0.45 8.40 0.04 -1.26 -0.60 135.00 143.86 2pye s PRO 114 Ca 0.30 1.14 -0.22 0.00 0.04 0.00 0.00 61.00 62.26 2pye s PRO 114 Cb -0.20 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.26 2pye s PRO 114 CO 0.20 -0.40 0.75 -0.47 0.04 0.00 0.00 177.00 177.12 2pye s TYR 115 N -2.34 3.01 -0.74 0.56 5.04 -1.26 -4.50 117.35 117.11 2pye s TYR 115 Ca 0.63 0.10 -0.20 0.00 -2.44 0.00 0.00 57.07 55.15 2pye s TYR 115 Cb -0.13 -3.59 0.10 0.00 0.35 0.00 0.00 41.96 38.69 2pye s TYR 115 CO 0.26 -0.97 0.95 0.42 -1.34 0.00 0.00 175.55 174.88 2pye s ILE 116 N 3.18 4.61 0.16 3.14 -1.09 -1.26 -4.91 121.20 125.03 2pye s ILE 116 Ca 0.28 -0.97 -0.13 0.00 -2.23 0.00 0.00 60.65 57.60 2pye s ILE 116 Cb -0.13 -4.66 0.04 0.00 -1.58 0.00 0.00 42.46 36.13 2pye s ILE 116 CO 0.22 -1.38 1.67 -0.61 -1.23 0.00 0.00 174.94 173.60 2pye h GLN 117 N 9.19 0.82 -2.51 2.79 4.15 -1.94 -3.36 115.11 124.24 2pye h GLN 117 Ca -0.13 -0.19 -0.60 0.00 0.77 0.00 0.00 58.65 58.50 2pye h GLN 117 Cb 1.06 -0.11 -0.41 0.00 0.21 0.00 0.00 27.48 28.22 2pye h GLN 117 CO 1.13 0.77 -0.68 0.09 -1.93 0.00 0.00 178.83 178.21 2pye n ASN 118 N -4.46 2.67 -4.77 -0.69 3.02 -1.26 -5.11 115.26 104.67 2pye n ASN 118 Ca 0.02 -3.17 -0.40 0.00 -0.03 0.00 0.00 54.58 51.00 2pye n ASN 118 Cb 0.21 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 2pye n ASN 118 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2pye s PRO 119 N -1.72 3.94 -0.39 3.52 0.02 -1.26 -4.96 135.00 134.15 2pye s PRO 119 Ca 0.33 2.38 0.11 0.00 0.02 0.00 0.00 61.00 63.84 2pye s PRO 119 Cb 0.07 -2.81 0.36 0.00 0.02 0.00 0.00 34.50 32.14 2pye s PRO 119 CO -0.10 -0.60 0.90 -3.47 -0.33 0.00 0.00 177.00 173.40 2pye n ASP 120 N 0.17 -0.08 -4.64 2.53 2.03 0.29 -5.03 116.55 111.83 2pye n ASP 120 Ca 0.03 -3.11 -0.46 0.00 0.52 0.00 0.00 54.79 51.76 2pye n ASP 120 Cb 0.41 0.15 -0.03 0.00 -0.72 0.00 0.00 41.12 40.93 2pye n ASP 120 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2pye n PRO 121 N 0.20 1.71 -3.51 -0.67 -0.04 -1.13 -4.65 135.00 126.91 2pye n PRO 121 Ca 0.16 0.61 -0.08 0.00 -0.04 0.00 0.00 63.50 64.15 2pye n PRO 121 Cb 0.70 -2.21 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 2pye n PRO 121 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pye s ALA 122 N -0.10 -1.84 -0.16 0.55 0.00 -0.98 -4.99 121.76 114.23 2pye s ALA 122 Ca 0.70 1.08 0.01 0.00 0.00 0.00 0.00 51.96 53.76 2pye s ALA 122 Cb -0.72 0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.74 2pye s ALA 122 CO 0.50 -0.66 -0.19 0.08 0.00 0.00 0.00 175.76 175.49 2pye s VAL 123 N -2.97 1.92 0.34 0.00 1.01 -1.26 -1.26 120.40 118.18 2pye s VAL 123 Ca 0.05 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.25 2pye s VAL 123 Cb -0.01 -1.73 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 2pye s VAL 123 CO -0.08 0.52 0.11 -0.31 0.00 0.00 0.00 175.10 175.34 2pye s TYR 124 N 1.18 2.67 -0.17 5.22 2.02 -0.63 -4.92 117.35 122.71 2pye s TYR 124 Ca 0.01 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.32 2pye s TYR 124 Cb -0.14 -1.61 0.01 0.00 -0.40 0.00 0.00 41.96 39.83 2pye s TYR 124 CO -0.09 0.37 -0.19 -1.14 -1.57 0.00 0.00 175.55 172.93 2pye s GLN 125 N -3.81 3.04 -0.12 -0.62 0.74 -1.26 -1.18 119.66 116.45 2pye s GLN 125 Ca 0.37 -0.81 -0.03 0.00 0.05 0.00 0.00 55.36 54.93 2pye s GLN 125 Cb -0.02 -2.58 -0.03 0.00 1.10 0.00 0.00 33.01 31.48 2pye s GLN 125 CO 0.22 -0.15 0.00 -0.51 -0.55 0.00 0.00 175.29 174.30 2pye s LEU 126 N 1.16 3.53 0.01 3.68 1.02 -0.56 -4.98 118.68 122.54 2pye s LEU 126 Ca 0.02 0.06 -0.06 0.00 0.02 0.00 0.00 54.13 54.17 2pye s LEU 126 Cb -0.14 -1.84 -0.05 0.00 0.02 0.00 0.00 46.19 44.19 2pye s LEU 126 CO -0.09 0.28 0.25 -0.13 0.02 0.00 0.00 176.35 176.68 2pye s ARG 127 N -0.30 3.54 0.18 1.70 1.81 -1.26 -1.65 118.95 122.98 2pye s ARG 127 Ca 0.06 -0.14 -0.31 0.00 -1.72 0.00 0.00 55.73 53.62 2pye s ARG 127 Cb -0.12 -3.08 -0.10 0.00 -0.45 0.00 0.00 34.95 31.19 2pye s ARG 127 CO 0.02 0.65 1.59 0.34 -0.68 0.00 0.00 175.30 177.22 2pye s ASP 128 N -1.77 6.54 0.48 0.23 3.68 -0.97 -4.90 116.67 119.96 2pye s ASP 128 Ca 0.28 2.68 0.24 0.00 2.13 0.00 0.00 52.55 57.88 2pye s ASP 128 Cb -0.13 -2.60 1.20 0.00 -1.45 0.00 0.00 42.92 39.94 2pye s ASP 128 CO 0.17 -0.85 1.97 0.77 0.13 0.00 0.00 175.17 177.36 2pye h SER 129 N 6.59 0.00 0.05 -0.34 4.64 -1.97 -3.17 113.55 119.35 2pye h SER 129 Ca -0.43 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2pye h SER 129 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2pye h SER 129 CO 0.91 0.19 -0.02 0.50 -0.87 0.00 0.00 176.83 177.53 2pye h LYS 130 N 0.00 -0.07 -0.99 4.77 1.63 -2.00 -3.46 116.57 116.46 2pye h LYS 130 Ca -0.00 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 59.85 2pye h LYS 130 Cb 0.48 0.02 -0.21 0.00 -0.60 0.00 0.00 32.23 31.92 2pye h LYS 130 CO 0.02 0.53 -0.34 0.45 -3.45 0.00 0.00 179.45 176.66 2pye s SER 131 N -5.82 -1.54 0.95 4.20 0.15 -1.22 -5.16 113.70 105.27 2pye s SER 131 Ca -0.13 0.40 -0.11 0.00 0.70 0.00 0.00 55.95 56.81 2pye s SER 131 Cb -0.01 2.07 0.14 0.00 -1.71 0.00 0.00 66.02 66.51 2pye s SER 131 CO 0.49 -0.28 0.96 -1.54 1.20 0.00 0.00 173.24 174.07 2pye n SER 132 N 5.42 -0.39 0.00 5.45 3.41 -1.20 -3.96 113.62 122.34 2pye n SER 132 Ca 0.03 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2pye n SER 132 Cb 0.53 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.09 2pye n SER 132 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2pye n ASP 133 N -3.69 0.00 -4.74 4.04 5.75 -1.26 -4.98 116.55 111.67 2pye n ASP 133 Ca 0.10 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.52 2pye n ASP 133 Cb 0.53 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.55 2pye n ASP 133 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2pye s LYS 134 N 0.00 4.18 0.21 0.11 1.02 -1.25 -5.07 119.74 118.94 2pye s LYS 134 Ca 0.00 0.05 -0.04 0.00 0.02 0.00 0.00 55.97 56.00 2pye s LYS 134 Cb 0.00 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 2pye s LYS 134 CO 0.00 0.30 0.21 -1.12 -0.92 0.00 0.00 175.35 173.82 2pye s SER 135 N 0.29 0.10 0.07 2.83 0.01 -1.26 -2.29 113.70 113.44 2pye s SER 135 Ca 0.15 -1.29 0.03 0.00 1.31 0.00 0.00 55.95 56.15 2pye s SER 135 Cb -0.13 0.43 -0.03 0.00 0.21 0.00 0.00 66.02 66.50 2pye s SER 135 CO 0.03 -0.91 -0.08 -0.69 0.41 0.00 0.00 173.24 172.00 2pye s VAL 136 N -4.13 0.69 -0.11 3.43 1.01 -0.66 -4.71 120.40 115.92 2pye s VAL 136 Ca 0.35 -1.40 0.01 0.00 0.00 0.00 0.00 61.98 60.95 2pye s VAL 136 Cb 0.05 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 2pye s VAL 136 CO 0.11 -0.52 -0.16 0.00 0.00 0.00 0.00 175.10 174.54 2pye s LEU 138 N 0.18 4.07 -0.34 0.00 2.96 -0.32 -0.97 118.68 124.26 2pye s LEU 138 Ca -0.09 -1.72 -0.21 0.00 -0.22 0.00 0.00 54.13 51.89 2pye s LEU 138 Cb -0.15 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 44.93 2pye s LEU 138 CO 0.05 -0.28 0.67 0.12 -1.32 0.00 0.00 176.35 175.59 2pye s PHE 139 N 1.03 3.16 0.19 5.38 5.36 -0.58 -1.61 117.98 130.91 2pye s PHE 139 Ca -0.00 0.46 -0.02 0.00 -0.96 0.00 0.00 56.93 56.41 2pye s PHE 139 Cb -0.20 -3.15 -0.04 0.00 -0.34 0.00 0.00 43.02 39.29 2pye s PHE 139 CO -0.06 -0.61 0.13 -0.08 -1.46 0.00 0.00 175.22 173.14 2pye s THR 140 N 2.76 0.02 -1.38 0.12 -1.32 -0.39 -1.07 115.64 114.38 2pye s THR 140 Ca 0.26 -1.95 0.00 0.00 -1.21 0.00 0.00 61.69 58.79 2pye s THR 140 Cb -0.14 -2.39 0.00 0.00 -1.51 0.00 0.00 72.50 68.46 2pye s THR 140 CO 0.14 -0.10 0.00 0.47 -2.21 0.00 0.00 174.62 172.92 2pye n ASP 141 N -0.24 -4.56 -4.93 8.08 8.00 -1.06 -2.32 116.55 119.52 2pye n ASP 141 Ca 0.00 0.20 -0.25 0.00 0.71 0.00 0.00 54.79 55.45 2pye n ASP 141 Cb 0.65 -3.48 0.00 0.00 -0.02 0.00 0.00 41.12 38.28 2pye n ASP 141 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2pye s PHE 142 N -2.60 3.40 0.74 1.24 -0.71 -1.26 -0.55 117.98 118.24 2pye s PHE 142 Ca 0.00 0.50 -0.12 0.00 -1.04 0.00 0.00 56.93 56.27 2pye s PHE 142 Cb 0.00 -2.26 0.04 0.00 -1.21 0.00 0.00 43.02 39.58 2pye s PHE 142 CO 0.00 -0.28 1.11 0.16 -1.34 0.00 0.00 175.22 174.87 2pye s ASP 143 N -4.15 5.12 0.00 1.98 3.84 -1.26 -4.48 116.67 117.71 2pye s ASP 143 Ca 0.47 1.10 0.21 0.00 -0.00 0.00 0.00 52.55 54.33 2pye s ASP 143 Cb -0.10 -1.84 1.16 0.00 -1.38 0.00 0.00 42.92 40.76 2pye s ASP 143 CO 0.41 -1.55 1.63 -1.20 -0.00 0.00 0.00 175.17 174.46 2pye n SER 144 N -3.14 0.00 -1.01 2.11 7.64 -1.26 -2.26 113.62 115.71 2pye n SER 144 Ca 0.07 -0.40 0.10 0.00 1.01 0.00 0.00 58.87 59.66 2pye n SER 144 Cb 0.58 -0.11 0.27 0.00 -1.01 0.00 0.00 64.21 63.93 2pye n SER 144 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pye n GLN 145 N -1.11 2.29 -3.97 1.43 6.02 -1.26 -4.89 117.38 115.88 2pye n GLN 145 Ca 0.13 -1.97 -0.36 0.00 -0.01 0.00 0.00 57.00 54.79 2pye n GLN 145 Cb 0.11 -1.46 -0.08 0.00 1.02 0.00 0.00 30.24 29.83 2pye n GLN 145 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2pye s THR 146 N -1.42 5.15 -0.24 5.09 2.01 -0.96 -5.10 115.64 120.17 2pye s THR 146 Ca 0.38 0.08 -0.05 0.00 0.31 0.00 0.00 61.69 62.41 2pye s THR 146 Cb 0.21 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.45 2pye s THR 146 CO 0.28 0.57 0.01 0.20 -0.69 0.00 0.00 174.62 174.99 2pye s ASN 147 N -0.58 4.66 -0.45 3.53 0.02 -1.26 -4.99 114.94 115.87 2pye s ASN 147 Ca 0.12 -0.40 -0.29 0.00 -1.02 0.00 0.00 52.86 51.27 2pye s ASN 147 Cb -0.12 -1.81 0.03 0.00 0.02 0.00 0.00 41.25 39.37 2pye s ASN 147 CO 0.02 -0.05 1.13 -0.69 0.02 0.00 0.00 177.10 177.53 2pye s VAL 148 N 1.52 4.25 0.39 1.60 1.01 -1.26 -4.94 120.40 122.97 2pye s VAL 148 Ca 0.05 1.31 -0.26 0.00 0.00 0.00 0.00 61.98 63.08 2pye s VAL 148 Cb -0.15 -4.58 -0.09 0.00 0.00 0.00 0.00 36.38 31.57 2pye s VAL 148 CO -0.00 -0.93 1.20 -0.94 0.00 0.00 0.00 175.10 174.42 2pye s SER 149 N 2.34 6.52 0.72 3.32 1.04 -1.26 -4.93 113.70 121.45 2pye s SER 149 Ca 0.48 2.41 -0.11 0.00 0.48 0.00 0.00 55.95 59.20 2pye s SER 149 Cb -0.08 -2.62 0.02 0.00 0.10 0.00 0.00 66.02 63.45 2pye s SER 149 CO 0.29 -0.68 1.09 -1.58 0.98 0.00 0.00 173.24 173.34 2pye s GLN 150 N -2.23 2.71 0.53 4.02 2.00 -1.26 -4.90 119.66 120.53 2pye s GLN 150 Ca 0.56 0.55 -0.20 0.00 -2.00 0.00 0.00 55.36 54.28 2pye s GLN 150 Cb -0.32 -2.00 -0.09 0.00 0.80 0.00 0.00 33.01 31.40 2pye s GLN 150 CO 0.41 -1.16 0.66 0.45 -0.50 0.00 0.00 175.29 175.15 2pye n SER 151 N -3.11 -0.43 -0.19 6.67 2.88 -1.26 -4.97 113.62 113.21 2pye n SER 151 Ca 0.07 0.81 0.07 0.00 -1.33 0.00 0.00 58.87 58.49 2pye n SER 151 Cb 0.57 -1.22 0.09 0.00 -0.75 0.00 0.00 64.21 62.90 2pye n SER 151 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2pye n LYS 152 N -0.08 0.94 -3.81 -1.46 -0.00 -1.26 -5.03 118.16 107.46 2pye n LYS 152 Ca 0.12 -2.07 -0.12 0.00 -0.00 0.00 0.00 58.31 56.23 2pye n LYS 152 Cb 0.45 -1.19 -0.12 0.00 -0.00 0.00 0.00 35.03 34.18 2pye n LYS 152 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2pye s ASP 153 N -2.26 -0.18 0.51 -5.58 3.68 -1.26 -5.06 116.67 106.52 2pye s ASP 153 Ca 0.22 0.32 0.24 0.00 2.13 0.00 0.00 52.55 55.46 2pye s ASP 153 Cb 0.19 0.39 1.39 0.00 -1.45 0.00 0.00 42.92 43.44 2pye s ASP 153 CO 0.02 -0.13 2.08 0.77 0.13 0.00 0.00 175.17 178.05 2pye h SER 154 N 5.54 0.00 -0.03 -0.34 4.64 -2.05 -2.79 113.55 118.52 2pye h SER 154 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2pye h SER 154 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2pye h SER 154 CO 0.38 0.11 -0.03 0.47 -0.87 0.00 0.00 176.83 176.89 2pye n ASP 155 N -3.87 2.80 -4.59 4.97 10.43 -1.26 -4.91 116.55 120.11 2pye n ASP 155 Ca -0.02 -1.92 -0.34 0.00 2.57 0.00 0.00 54.79 55.08 2pye n ASP 155 Cb 0.21 0.03 -0.11 0.00 1.84 0.00 0.00 41.12 43.10 2pye n ASP 155 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2pye s VAL 156 N -2.03 4.19 -0.22 2.53 1.01 -1.06 -3.88 120.40 120.94 2pye s VAL 156 Ca 0.28 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.01 2pye s VAL 156 Cb 0.20 -2.81 0.04 0.00 0.00 0.00 0.00 36.38 33.81 2pye s VAL 156 CO 0.32 0.54 -0.12 -0.31 0.00 0.00 0.00 175.10 175.52 2pye s TYR 157 N -0.17 2.76 -0.19 5.22 2.02 -0.69 -4.64 117.35 121.66 2pye s TYR 157 Ca 0.04 -1.84 -0.02 0.00 -0.37 0.00 0.00 57.07 54.88 2pye s TYR 157 Cb -0.13 -1.79 -0.01 0.00 -0.40 0.00 0.00 41.96 39.64 2pye s TYR 157 CO 0.02 -0.80 -0.09 0.42 -1.57 0.00 0.00 175.55 173.53 2pye s ILE 158 N 1.28 3.11 0.82 2.71 1.01 -1.26 -2.37 121.20 126.50 2pye s ILE 158 Ca -0.03 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 59.92 2pye s ILE 158 Cb -0.17 -2.38 0.11 0.00 0.01 0.00 0.00 42.46 40.04 2pye s ILE 158 CO -0.08 0.47 1.16 0.42 0.00 0.00 0.00 174.94 176.90 2pye s THR 159 N 1.17 2.09 0.63 2.92 -4.23 -0.59 -4.46 115.64 113.17 2pye s THR 159 Ca 0.02 -0.13 -0.06 0.00 -1.18 0.00 0.00 61.69 60.33 2pye s THR 159 Cb -0.14 -2.96 0.02 0.00 1.34 0.00 0.00 72.50 70.76 2pye s THR 159 CO -0.03 0.00 0.94 -0.62 -0.54 0.00 0.00 174.62 174.38 2pye s ASP 160 N -4.67 5.37 0.53 3.99 3.68 -1.26 -4.59 116.67 119.72 2pye s ASP 160 Ca 0.65 0.67 -0.18 0.00 2.13 0.00 0.00 52.55 55.82 2pye s ASP 160 Cb -0.08 -1.55 -0.07 0.00 -1.45 0.00 0.00 42.92 39.77 2pye s ASP 160 CO 0.49 -1.23 1.05 -1.59 0.13 0.00 0.00 175.17 174.01 2pye s LYS 161 N -5.08 3.63 -0.01 4.34 -2.85 -1.26 -4.64 119.74 113.87 2pye s LYS 161 Ca 0.56 1.30 -0.00 0.00 -1.00 0.00 0.00 55.97 56.82 2pye s LYS 161 Cb -0.11 -2.07 0.01 0.00 -2.06 0.00 0.00 37.83 33.60 2pye s LYS 161 CO 0.45 -0.57 0.02 0.00 0.10 0.00 0.00 175.35 175.35 2pye s VAL 163 N 0.36 5.22 0.12 0.00 1.01 -1.26 -2.53 120.40 123.31 2pye s VAL 163 Ca -0.03 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.12 2pye s VAL 163 Cb -0.04 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2pye s VAL 163 CO -0.01 0.29 0.11 -1.48 0.00 0.00 0.00 175.10 174.01 2pye s LEU 164 N 1.50 3.82 -0.22 3.92 0.05 -0.62 -4.97 118.68 122.17 2pye s LEU 164 Ca 0.07 -0.05 -0.02 0.00 0.05 0.00 0.00 54.13 54.17 2pye s LEU 164 Cb -0.15 -2.47 0.07 0.00 -2.05 0.00 0.00 46.19 41.59 2pye s LEU 164 CO 0.08 0.13 0.04 -0.62 -0.55 0.00 0.00 176.35 175.43 2pye s ASP 165 N -2.70 3.14 -1.03 1.48 2.15 -1.26 -1.72 116.67 116.73 2pye s ASP 165 Ca 0.30 -0.97 -0.21 0.00 0.43 0.00 0.00 52.55 52.10 2pye s ASP 165 Cb -0.11 -0.65 0.09 0.00 -0.30 0.00 0.00 42.92 41.94 2pye s ASP 165 CO 0.23 -0.32 1.37 -0.04 -0.17 0.00 0.00 175.17 176.23 2pye s MET 166 N 1.81 3.66 0.13 4.34 -1.94 0.17 -4.87 119.30 122.59 2pye s MET 166 Ca 0.01 -1.51 -0.20 0.00 -1.71 0.00 0.00 55.69 52.28 2pye s MET 166 Cb -0.17 -5.21 -0.03 0.00 2.01 0.00 0.00 34.83 31.43 2pye s MET 166 CO -0.11 -2.04 1.72 0.00 -0.01 0.00 0.00 175.02 174.57 2pye h ARG 167 N 9.11 0.04 -0.26 2.03 3.08 -1.98 -2.37 114.38 124.04 2pye h ARG 167 Ca 0.22 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.34 2pye h ARG 167 Cb 0.99 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 2pye h ARG 167 CO 1.31 0.03 0.35 0.66 -1.07 0.00 0.00 179.97 181.25 2pye h SER 168 N 0.04 0.00 -0.17 7.04 4.64 -1.95 -2.20 113.55 120.95 2pye h SER 168 Ca 0.09 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.26 2pye h SER 168 Cb 0.12 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.03 2pye h SER 168 CO -0.17 0.00 -0.71 1.15 -0.87 0.00 0.00 176.83 176.23 2pye n MET 169 N -3.55 1.64 -3.87 4.77 0.00 -1.11 -5.03 117.12 109.97 2pye n MET 169 Ca 0.04 -3.21 -0.23 0.00 0.00 0.00 0.00 57.70 54.30 2pye n MET 169 Cb 0.48 -1.40 0.01 0.00 0.00 0.00 0.00 33.22 32.31 2pye n MET 169 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2pye n ASP 170 N -0.67 -2.06 -3.78 3.17 2.03 -0.83 -4.93 116.55 109.48 2pye n ASP 170 Ca 0.20 -0.65 -0.13 0.00 0.52 0.00 0.00 54.79 54.73 2pye n ASP 170 Cb 0.84 -0.79 -0.13 0.00 -0.72 0.00 0.00 41.12 40.32 2pye n ASP 170 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2pye s PHE 171 N -4.16 -0.19 -0.00 -0.67 5.36 -0.91 -5.05 117.98 112.36 2pye s PHE 171 Ca 0.23 0.49 0.01 0.00 -0.96 0.00 0.00 56.93 56.70 2pye s PHE 171 Cb -0.13 -0.00 -0.00 0.00 -0.34 0.00 0.00 43.02 42.55 2pye s PHE 171 CO 0.49 -0.13 -0.04 -1.59 -1.46 0.00 0.00 175.22 172.48 2pye s LYS 172 N 0.67 0.30 0.06 10.12 -2.85 -1.26 0.43 119.74 127.20 2pye s LYS 172 Ca -0.05 -0.13 0.01 0.00 -1.00 0.00 0.00 55.97 54.80 2pye s LYS 172 Cb -0.06 -0.29 -0.03 0.00 -2.06 0.00 0.00 37.83 35.38 2pye s LYS 172 CO -0.03 0.08 -0.06 -1.54 0.10 0.00 0.00 175.35 173.90 2pye s SER 173 N -0.08 0.80 0.34 0.03 1.04 -0.70 -4.89 113.70 110.24 2pye s SER 173 Ca 0.01 -0.80 -0.02 0.00 0.48 0.00 0.00 55.95 55.62 2pye s SER 173 Cb -0.01 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 2pye s SER 173 CO -0.00 -0.39 0.57 0.20 0.98 0.00 0.00 173.24 174.60 2pye s ASN 174 N -2.37 6.34 -0.06 7.02 0.01 -1.26 -1.59 114.94 123.03 2pye s ASN 174 Ca 0.01 0.59 -0.30 0.00 -0.71 0.00 0.00 52.86 52.45 2pye s ASN 174 Cb -0.01 -2.09 0.11 0.00 0.41 0.00 0.00 41.25 39.67 2pye s ASN 174 CO -0.04 -0.29 0.95 -0.94 -1.51 0.00 0.00 177.10 175.27 2pye s SER 175 N -3.74 -0.34 0.02 -1.22 1.04 -1.05 -2.56 113.70 105.86 2pye s SER 175 Ca 0.42 0.09 -0.05 0.00 0.48 0.00 0.00 55.95 56.89 2pye s SER 175 Cb -0.10 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.35 2pye s SER 175 CO 0.35 -0.51 0.08 0.00 0.98 0.00 0.00 173.24 174.14 2pye s ALA 176 N -2.59 -0.09 0.11 5.32 0.00 -0.23 -1.79 121.76 122.48 2pye s ALA 176 Ca 0.04 -0.45 0.11 0.00 0.00 0.00 0.00 51.96 51.65 2pye s ALA 176 Cb -0.01 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 2pye s ALA 176 CO -0.06 -0.26 -0.27 0.08 0.00 0.00 0.00 175.76 175.26 2pye s VAL 177 N -2.05 2.26 -0.02 0.00 1.01 -1.26 -1.53 120.40 118.80 2pye s VAL 177 Ca -0.10 -1.67 -0.01 0.00 0.00 0.00 0.00 61.98 60.21 2pye s VAL 177 Cb -0.05 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.38 2pye s VAL 177 CO -0.02 0.15 0.04 0.00 0.00 0.00 0.00 175.10 175.28 2pye s ALA 178 N -1.00 -0.05 0.14 5.51 0.00 -0.15 -1.55 121.76 124.66 2pye s ALA 178 Ca 0.14 0.22 -0.05 0.00 0.00 0.00 0.00 51.96 52.27 2pye s ALA 178 Cb -0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2pye s ALA 178 CO 0.05 -0.06 0.16 1.67 0.00 0.00 0.00 175.76 177.58 2pye s TRP 179 N 0.46 0.59 -0.04 0.00 -2.14 -1.00 -0.66 118.94 116.16 2pye s TRP 179 Ca -0.04 -0.97 -0.30 0.00 2.66 0.00 0.00 56.10 57.45 2pye s TRP 179 Cb -0.05 -0.26 0.11 0.00 -3.10 0.00 0.00 33.47 30.17 2pye s TRP 179 CO -0.02 -0.60 1.06 0.45 -2.66 0.00 0.00 176.95 175.18 2pye s SER 180 N -2.99 -0.22 0.00 -2.66 0.15 -1.26 -1.71 113.70 105.00 2pye s SER 180 Ca 0.19 -0.08 0.05 0.00 0.70 0.00 0.00 55.95 56.81 2pye s SER 180 Cb 0.05 0.30 0.12 0.00 -1.71 0.00 0.00 66.02 64.78 2pye s SER 180 CO -0.00 -0.50 0.99 0.59 1.20 0.00 0.00 173.24 175.51 2pye n ASN 181 N -0.27 2.15 -4.77 5.45 4.13 -1.25 -4.95 115.26 115.75 2pye n ASN 181 Ca -0.05 -1.77 -0.37 0.00 1.68 0.00 0.00 54.58 54.06 2pye n ASN 181 Cb 0.61 -0.08 -0.01 0.00 -1.54 0.00 0.00 39.78 38.76 2pye n ASN 181 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2pye s LYS 182 N -0.84 3.72 0.23 3.52 1.02 -1.26 -4.95 119.74 121.18 2pye s LYS 182 Ca 0.10 1.79 -0.06 0.00 0.02 0.00 0.00 55.97 57.82 2pye s LYS 182 Cb 0.05 -2.39 0.22 0.00 -0.52 0.00 0.00 37.83 35.19 2pye s LYS 182 CO 0.07 -0.59 1.76 0.77 -0.92 0.00 0.00 175.35 176.44 2pye h SER 183 N 2.00 0.97 0.03 2.83 0.02 -2.02 -3.24 113.55 114.15 2pye h SER 183 Ca -0.49 -0.20 -0.24 0.00 -0.84 0.00 0.00 61.79 60.02 2pye h SER 183 Cb 1.25 -0.26 0.02 0.00 0.14 0.00 0.00 62.40 63.56 2pye h SER 183 CO 0.60 0.94 -0.95 0.44 -1.14 0.00 0.00 176.83 176.72 2pye h ASP 184 N 0.98 0.78 -0.39 3.07 3.45 -2.03 -3.48 116.42 118.80 2pye h ASP 184 Ca 0.21 -0.77 -0.30 0.00 0.43 0.00 0.00 57.03 56.59 2pye h ASP 184 Cb 0.35 -0.24 0.02 0.00 -0.56 0.00 0.00 39.33 38.90 2pye h ASP 184 CO 0.00 1.46 -0.01 0.33 -1.57 0.00 0.00 179.24 179.45 2pye n PHE 185 N -3.96 0.20 -3.75 4.55 -0.00 -1.22 -5.02 117.46 108.25 2pye n PHE 185 Ca -0.12 0.41 -0.13 0.00 -0.00 0.00 0.00 57.45 57.62 2pye n PHE 185 Cb 0.84 -0.81 -0.11 0.00 -0.00 0.00 0.00 39.48 39.40 2pye n PHE 185 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2pye s ALA 186 N -0.05 -0.86 0.62 3.13 0.00 -1.26 -5.02 121.76 118.32 2pye s ALA 186 Ca 0.34 0.97 0.33 0.00 0.00 0.00 0.00 51.96 53.61 2pye s ALA 186 Cb -0.48 -0.56 1.89 0.00 0.00 0.00 0.00 23.12 23.97 2pye s ALA 186 CO 0.22 -0.16 2.17 0.00 0.00 0.00 0.00 175.76 177.99 2pye h ALA 188 N 1.79 1.18 -0.34 0.00 0.00 -1.97 -2.91 119.26 117.01 2pye h ALA 188 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2pye h ALA 188 Cb 0.32 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2pye h ALA 188 CO -0.00 0.65 0.00 0.09 0.00 0.00 0.00 179.25 179.99 2pye n ASN 189 N -4.33 4.36 0.23 0.00 5.03 -0.94 -4.71 115.26 114.90 2pye n ASN 189 Ca 0.09 -2.99 -0.14 0.00 0.87 0.00 0.00 54.58 52.41 2pye n ASN 189 Cb 0.11 -0.58 -0.08 0.00 -1.02 0.00 0.00 39.78 38.21 2pye n ASN 189 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2pye h ALA 190 N 2.37 -0.60 -3.00 5.41 0.00 -1.32 -3.44 119.26 118.68 2pye h ALA 190 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2pye h ALA 190 Cb 1.58 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2pye h ALA 190 CO 0.29 -0.68 0.00 1.19 0.00 0.00 0.00 179.25 180.05 2pye n PHE 191 N -5.23 0.00 -1.11 0.00 3.01 -1.26 -4.91 117.46 107.96 2pye n PHE 191 Ca -0.10 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.32 2pye n PHE 191 Cb 0.30 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.75 2pye n PHE 191 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 2pye n ASN 192 N 0.00 -5.35 0.00 4.37 5.03 -1.26 -4.45 115.26 113.59 2pye n ASN 192 Ca 0.00 0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.54 2pye n ASN 192 Cb 0.00 -3.18 0.00 0.00 -1.02 0.00 0.00 39.78 35.58 2pye n ASN 192 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2pye n ASN 193 N -0.80 0.00 0.00 6.41 5.03 -1.26 -5.10 115.26 119.54 2pye n ASN 193 Ca -0.04 0.00 0.10 0.00 0.87 0.00 0.00 54.58 55.51 2pye n ASN 193 Cb 0.44 0.00 0.58 0.00 -1.02 0.00 0.00 39.78 39.78 2pye n ASN 193 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23