#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gnn s ILE 3 N 0.00 4.97 0.21 2.28 -1.09 -1.26 -5.06 121.20 121.26 3gnn s ILE 3 Ca 0.00 -0.16 -0.30 0.00 -2.23 0.00 0.00 60.65 57.96 3gnn s ILE 3 Cb 0.00 -3.21 -0.08 0.00 -1.58 0.00 0.00 42.46 37.58 3gnn s ILE 3 CO 0.00 0.48 1.16 -0.62 -1.23 0.00 0.00 174.94 174.73 3gnn s ASP 4 N -1.38 7.15 0.00 3.58 2.15 -1.26 -2.93 116.67 123.98 3gnn s ASP 4 Ca 0.19 2.23 0.00 0.00 0.43 0.00 0.00 52.55 55.40 3gnn s ASP 4 Cb -0.12 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 3gnn s ASP 4 CO 0.09 -0.29 0.00 0.00 -0.17 0.00 0.00 175.17 174.80 3gnn n ALA 5 N 2.09 0.00 -1.86 3.66 0.00 -1.26 -4.97 120.51 118.17 3gnn n ALA 5 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.11 3gnn n ALA 5 Cb 0.45 -0.34 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 3gnn n ALA 5 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3gnn s VAL 6 N -2.58 4.32 0.31 0.00 1.01 -1.15 -0.16 120.40 122.14 3gnn s VAL 6 Ca 0.00 1.64 -0.28 0.00 0.00 0.00 0.00 61.98 63.33 3gnn s VAL 6 Cb 0.00 -3.89 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 3gnn s VAL 6 CO 0.00 0.05 1.11 -0.55 0.00 0.00 0.00 175.10 175.71 3gnn s SER 7 N -1.75 7.13 0.52 3.32 0.15 -1.26 -4.81 113.70 117.00 3gnn s SER 7 Ca 0.51 2.27 0.29 0.00 0.70 0.00 0.00 55.95 59.72 3gnn s SER 7 Cb -0.16 -2.62 1.42 0.00 -1.71 0.00 0.00 66.02 62.95 3gnn s SER 7 CO 0.21 -0.24 1.91 -0.65 1.20 0.00 0.00 173.24 175.67 3gnn h PRO 8 N 3.55 0.04 0.00 5.44 0.11 -1.94 0.68 132.00 139.87 3gnn h PRO 8 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gnn h PRO 8 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3gnn h PRO 8 CO 0.66 0.03 0.00 1.28 -0.21 0.00 0.00 178.00 179.76 3gnn n LEU 9 N -4.32 0.00 -0.03 2.35 4.77 -1.26 -2.59 117.00 115.92 3gnn n LEU 9 Ca 0.17 0.07 -0.11 0.00 -0.03 0.00 0.00 56.01 56.11 3gnn n LEU 9 Cb 0.86 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.82 3gnn n LEU 9 CO 0.38 -0.06 0.86 0.15 -1.33 0.00 0.00 177.39 177.39 3gnn h PHE 10 N 0.00 0.20 -0.24 -1.77 3.57 -1.22 -2.62 116.94 114.87 3gnn h PHE 10 Ca 0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 3gnn h PHE 10 Cb 0.02 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3gnn h PHE 10 CO 0.00 0.25 0.11 0.00 -2.23 0.00 0.00 178.31 176.44 3gnn h ALA 11 N 0.93 1.75 0.13 2.41 0.00 -1.73 0.25 119.26 122.99 3gnn h ALA 11 Ca 0.05 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 3gnn h ALA 11 Cb 0.12 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.83 3gnn h ALA 11 CO -0.01 0.21 -0.79 -0.44 0.00 0.00 0.00 179.25 178.22 3gnn h ASP 12 N 0.33 0.47 -0.85 0.00 3.32 -1.73 -1.80 116.42 116.17 3gnn h ASP 12 Ca 0.09 -0.94 0.03 0.00 0.02 0.00 0.00 57.03 56.23 3gnn h ASP 12 Cb 0.04 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 3gnn h ASP 12 CO -0.01 1.37 0.55 0.40 -1.72 0.00 0.00 179.24 179.83 3gnn h ILE 13 N -0.35 1.14 -0.53 0.35 2.04 -1.24 0.21 117.51 119.14 3gnn h ILE 13 Ca -0.13 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 3gnn h ILE 13 Cb 1.61 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 3gnn h ILE 13 CO 0.15 0.20 0.21 0.28 0.00 0.00 0.00 178.15 178.98 3gnn h SER 14 N 1.07 0.73 -0.35 1.72 0.02 -0.50 -1.91 113.55 114.34 3gnn h SER 14 Ca 0.34 -0.17 -0.11 0.00 -0.84 0.00 0.00 61.79 61.01 3gnn h SER 14 Cb -0.01 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3gnn h SER 14 CO -0.11 0.70 -0.16 -0.09 -1.14 0.00 0.00 176.83 176.03 3gnn h ARG 15 N 0.72 0.81 -0.36 3.45 2.43 -0.84 0.29 114.38 120.89 3gnn h ARG 15 Ca 0.18 -0.30 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 3gnn h ARG 15 Cb 0.20 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 3gnn h ARG 15 CO -0.01 0.92 -0.04 1.49 -1.51 0.00 0.00 179.97 180.81 3gnn h GLU 16 N 0.72 0.66 -0.00 0.20 4.81 -0.30 -3.29 114.58 117.38 3gnn h GLU 16 Ca 0.11 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3gnn h GLU 16 Cb 0.66 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.00 3gnn h GLU 16 CO 0.05 0.80 -0.85 0.66 -0.73 0.00 0.00 179.01 178.94 3gnn n TYR 17 N -4.45 0.00 -4.99 0.92 4.01 -0.74 -5.08 117.16 106.82 3gnn n TYR 17 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3gnn n TYR 17 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 3gnn n TYR 17 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gnn n GLY 18 N 1.43 1.01 0.17 2.72 0.00 0.10 -3.35 105.19 107.27 3gnn n GLY 18 Ca 0.03 -0.66 0.08 0.00 0.00 0.00 0.00 46.02 45.48 3gnn n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnn h ALA 19 N -0.99 1.16 -0.16 4.61 0.00 -1.96 -0.13 119.26 121.79 3gnn h ALA 19 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3gnn h ALA 19 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3gnn h ALA 19 CO 0.00 -0.16 -0.27 0.00 0.00 0.00 0.00 179.25 178.81 3gnn h ALA 20 N 1.37 1.25 -0.09 0.00 0.00 -1.93 -2.61 119.26 117.25 3gnn h ALA 20 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3gnn h ALA 20 Cb 0.48 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3gnn h ALA 20 CO 0.00 0.50 -0.02 0.35 0.00 0.00 0.00 179.25 180.08 3gnn h PHE 21 N 0.26 0.19 -0.71 0.00 3.57 -1.19 -0.78 116.94 118.29 3gnn h PHE 21 Ca 0.04 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 3gnn h PHE 21 Cb 0.63 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 3gnn h PHE 21 CO 0.01 0.48 0.27 -0.44 -2.23 0.00 0.00 178.31 176.40 3gnn h ASP 22 N -0.16 0.99 -0.87 0.41 3.32 -1.73 -1.58 116.42 116.81 3gnn h ASP 22 Ca 0.02 -0.18 0.06 0.00 0.02 0.00 0.00 57.03 56.95 3gnn h ASP 22 Cb 0.42 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.65 3gnn h ASP 22 CO 0.01 0.91 0.57 0.00 -1.72 0.00 0.00 179.24 179.00 3gnn h ALA 23 N 1.12 1.55 -0.22 3.45 0.00 -1.31 -1.56 119.26 122.29 3gnn h ALA 23 Ca 0.23 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 3gnn h ALA 23 Cb 0.24 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3gnn h ALA 23 CO -0.02 0.32 -0.59 0.00 0.00 0.00 0.00 179.25 178.96 3gnn h ALA 24 N 1.53 0.53 -0.27 0.00 0.00 -0.52 -1.73 119.26 118.79 3gnn h ALA 24 Ca 0.37 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3gnn h ALA 24 Cb 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3gnn h ALA 24 CO -0.14 0.69 0.14 0.82 0.00 0.00 0.00 179.25 180.77 3gnn h ILE 25 N 0.55 1.13 -0.82 0.00 2.04 -0.91 -0.17 117.51 119.33 3gnn h ILE 25 Ca -0.00 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.53 3gnn h ILE 25 Cb 1.18 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 3gnn h ILE 25 CO 0.12 0.13 0.54 0.00 0.00 0.00 0.00 178.15 178.94 3gnn h ALA 26 N 1.02 1.07 -0.50 1.87 0.00 -1.22 -0.62 119.26 120.88 3gnn h ALA 26 Ca 0.10 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3gnn h ALA 26 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3gnn h ALA 26 CO -0.01 0.39 0.12 -0.09 0.00 0.00 0.00 179.25 179.66 3gnn h ARG 27 N 1.06 0.80 -0.66 0.00 2.43 -1.19 0.21 114.38 117.04 3gnn h ARG 27 Ca 0.32 -0.19 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 3gnn h ARG 27 Cb -0.04 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 3gnn h ARG 27 CO -0.10 0.77 0.14 -0.91 -1.51 0.00 0.00 179.97 178.36 3gnn h ASN 28 N 0.69 1.02 -0.21 -3.80 -0.26 -0.08 0.11 115.58 113.05 3gnn h ASN 28 Ca 0.16 -0.25 -0.07 0.00 -0.56 0.00 0.00 56.30 55.58 3gnn h ASN 28 Cb 0.33 -0.27 -0.00 0.00 -1.06 0.00 0.00 38.32 37.32 3gnn h ASN 28 CO 0.00 1.00 -0.14 0.58 -1.06 0.00 0.00 177.43 177.82 3gnn h VAL 29 N 0.99 1.32 -0.70 2.81 2.07 -0.85 -1.86 116.25 120.03 3gnn h VAL 29 Ca 0.20 -1.24 0.11 0.00 0.82 0.00 0.00 66.70 66.60 3gnn h VAL 29 Cb 0.40 1.68 -0.08 0.00 -1.52 0.00 0.00 31.29 31.76 3gnn h VAL 29 CO 0.01 0.38 0.29 0.00 0.02 0.00 0.00 177.57 178.26 3gnn h ALA 30 N 0.68 0.95 -0.03 1.67 0.00 -0.22 -1.38 119.26 120.93 3gnn h ALA 30 Ca 0.04 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3gnn h ALA 30 Cb 0.65 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3gnn h ALA 30 CO 0.04 -0.16 0.02 -0.44 0.00 0.00 0.00 179.25 178.70 3gnn h ASP 31 N 0.47 0.04 -0.97 0.00 3.32 -0.62 0.80 116.42 119.47 3gnn h ASP 31 Ca 0.36 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.34 3gnn h ASP 31 Cb 0.48 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 3gnn h ASP 31 CO -0.34 0.12 0.64 0.00 -1.72 0.00 0.00 179.24 177.94 3gnn h ALA 32 N 0.93 1.24 -0.21 3.45 0.00 -1.09 -2.79 119.26 120.78 3gnn h ALA 32 Ca 0.01 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 3gnn h ALA 32 Cb 0.08 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3gnn h ALA 32 CO -0.00 0.59 -0.57 -0.07 0.00 0.00 0.00 179.25 179.19 3gnn h LEU 33 N 1.28 0.76 -1.09 0.00 4.07 -0.85 -2.76 115.31 116.73 3gnn h LEU 33 Ca 0.36 -0.42 0.09 0.00 0.08 0.00 0.00 57.88 57.99 3gnn h LEU 33 Cb -0.11 -0.22 -0.07 0.00 1.08 0.00 0.00 40.66 41.34 3gnn h LEU 33 CO -0.09 1.17 0.61 0.00 -1.08 0.00 0.00 178.44 179.05 3gnn h ALA 34 N 0.84 1.52 0.00 1.53 0.00 -0.61 -2.21 119.26 120.33 3gnn h ALA 34 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3gnn h ALA 34 Cb 1.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3gnn h ALA 34 CO 0.12 0.30 -0.51 1.05 0.00 0.00 0.00 179.25 180.21 3gnn h GLU 35 N 1.03 0.00 -0.85 0.00 4.11 -1.47 -1.61 114.58 115.78 3gnn h GLU 35 Ca 0.43 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.84 3gnn h GLU 35 Cb 0.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3gnn h GLU 35 CO -0.19 0.13 0.42 0.22 0.07 0.00 0.00 179.01 179.66 3gnn h ASP 36 N 0.00 1.10 0.08 3.06 3.58 -1.11 0.25 116.42 123.38 3gnn h ASP 36 Ca -0.02 -0.12 -0.19 0.00 0.42 0.00 0.00 57.03 57.12 3gnn h ASP 36 Cb 1.13 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.90 3gnn h ASP 36 CO 0.02 0.92 -0.69 0.58 -2.88 0.00 0.00 179.24 177.18 3gnn h VAL 37 N 1.21 1.34 0.03 2.25 2.07 -1.20 -2.93 116.25 119.01 3gnn h VAL 37 Ca 0.29 -2.00 -0.16 0.00 0.82 0.00 0.00 66.70 65.65 3gnn h VAL 37 Cb 0.10 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 3gnn h VAL 37 CO -0.04 0.62 -0.85 1.23 0.02 0.00 0.00 177.57 178.55 3gnn h GLY 38 N 1.03 0.07 -0.80 2.17 0.00 -1.17 -3.41 103.07 100.97 3gnn h GLY 38 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3gnn h GLY 38 CO 0.13 0.15 0.00 -1.14 0.00 0.00 0.00 176.54 175.68 3gnn n SER 39 N -4.38 2.04 0.00 0.19 3.41 0.82 -5.07 113.62 110.63 3gnn n SER 39 Ca -0.23 -1.56 0.00 0.00 -0.26 0.00 0.00 58.87 56.82 3gnn n SER 39 Cb 0.66 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 3gnn n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gnn n GLY 40 N 0.43 -1.82 3.27 5.00 0.00 -0.95 -4.98 105.19 106.14 3gnn n GLY 40 Ca 0.06 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 3gnn n GLY 40 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gnn s LEU 46 N 0.00 2.11 -0.14 0.99 1.43 -1.26 -5.06 118.68 116.76 3gnn s LEU 46 Ca 0.00 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.57 3gnn s LEU 46 Cb 0.00 -1.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 3gnn s LEU 46 CO 0.00 0.23 0.03 -0.69 0.23 0.00 0.00 176.35 176.15 3gnn s VAL 47 N -0.68 4.53 0.23 -1.59 1.01 -1.26 -5.09 120.40 117.55 3gnn s VAL 47 Ca 0.09 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 3gnn s VAL 47 Cb -0.09 -2.98 -0.09 0.00 0.00 0.00 0.00 36.38 33.22 3gnn s VAL 47 CO 0.01 0.53 1.32 -2.16 0.00 0.00 0.00 175.10 174.80 3gnn s PRO 48 N -0.21 4.38 0.00 2.72 0.04 -1.26 -4.64 135.00 136.03 3gnn s PRO 48 Ca 0.06 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.20 3gnn s PRO 48 Cb -0.12 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.25 3gnn s PRO 48 CO 0.02 -0.24 0.74 -3.47 0.04 0.00 0.00 177.00 174.08 3gnn n ASP 49 N 2.26 0.00 -0.61 6.66 -0.08 -1.26 -4.73 116.55 118.78 3gnn n ASP 49 Ca 0.05 0.74 0.00 0.00 -1.51 0.00 0.00 54.79 54.07 3gnn n ASP 49 Cb 0.42 -0.24 0.00 0.00 2.34 0.00 0.00 41.12 43.65 3gnn n ASP 49 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gnn n GLY 50 N -0.79 0.00 0.00 0.27 0.00 -1.26 -4.11 105.19 99.30 3gnn n GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3gnn n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gnn n ALA 51 N 0.19 -0.13 -1.81 4.61 0.00 -1.26 -4.87 120.51 117.24 3gnn n ALA 51 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3gnn n ALA 51 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 3gnn n ALA 51 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3gnn s PRO 52 N -3.49 4.23 0.37 0.00 0.02 -1.26 -3.88 135.00 130.98 3gnn s PRO 52 Ca 0.00 2.39 0.08 0.00 0.02 0.00 0.00 61.00 63.49 3gnn s PRO 52 Cb 0.00 -3.05 -0.06 0.00 0.02 0.00 0.00 34.50 31.41 3gnn s PRO 52 CO 0.00 -0.42 0.05 1.03 -0.33 0.00 0.00 177.00 177.33 3gnn s ARG 53 N -1.19 2.09 -0.09 5.54 1.81 0.09 -4.90 118.95 122.31 3gnn s ARG 53 Ca 0.56 -1.83 0.01 0.00 -1.72 0.00 0.00 55.73 52.75 3gnn s ARG 53 Cb -0.43 -1.90 -0.03 0.00 -0.45 0.00 0.00 34.95 32.14 3gnn s ARG 53 CO 0.51 0.05 -0.10 -0.98 -0.68 0.00 0.00 175.30 174.10 3gnn s ARG 54 N -3.76 2.91 0.16 3.54 1.70 -1.26 -1.50 118.95 120.75 3gnn s ARG 54 Ca 0.36 -0.62 0.07 0.00 -0.47 0.00 0.00 55.73 55.08 3gnn s ARG 54 Cb 0.02 -2.57 -0.04 0.00 -0.57 0.00 0.00 34.95 31.79 3gnn s ARG 54 CO 0.20 0.51 -0.15 0.00 -1.08 0.00 0.00 175.30 174.78 3gnn s ALA 55 N -0.41 1.81 -0.08 7.88 0.00 0.44 0.84 121.76 132.24 3gnn s ALA 55 Ca 0.05 -1.48 0.02 0.00 0.00 0.00 0.00 51.96 50.55 3gnn s ALA 55 Cb -0.12 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.91 3gnn s ALA 55 CO 0.02 0.12 -0.12 0.50 0.00 0.00 0.00 175.76 176.28 3gnn s ARG 56 N -3.07 1.79 -0.17 0.00 3.52 -0.51 0.32 118.95 120.83 3gnn s ARG 56 Ca 0.16 -0.42 -0.18 0.00 -0.13 0.00 0.00 55.73 55.15 3gnn s ARG 56 Cb -0.03 -1.54 -0.04 0.00 -1.56 0.00 0.00 34.95 31.78 3gnn s ARG 56 CO 0.05 -0.03 0.47 0.08 -0.81 0.00 0.00 175.30 175.06 3gnn s VAL 57 N 0.87 5.16 -0.07 7.11 1.01 -0.42 -2.46 120.40 131.61 3gnn s VAL 57 Ca -0.10 0.89 0.02 0.00 0.00 0.00 0.00 61.98 62.78 3gnn s VAL 57 Cb -0.15 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 3gnn s VAL 57 CO 0.01 0.25 -0.10 -0.63 0.00 0.00 0.00 175.10 174.63 3gnn s ILE 58 N 1.20 3.41 0.06 2.22 -1.09 0.12 -0.43 121.20 126.69 3gnn s ILE 58 Ca 0.23 -0.59 -0.20 0.00 -2.23 0.00 0.00 60.65 57.87 3gnn s ILE 58 Cb -0.15 -2.38 -0.07 0.00 -1.58 0.00 0.00 42.46 38.29 3gnn s ILE 58 CO 0.09 0.59 0.58 0.54 -1.23 0.00 0.00 174.94 175.51 3gnn s VAL 59 N -0.67 4.75 -1.35 2.92 0.11 -0.60 -0.60 120.40 124.96 3gnn s VAL 59 Ca 0.10 1.24 0.13 0.00 -2.93 0.00 0.00 61.98 60.51 3gnn s VAL 59 Cb -0.11 -3.91 0.23 0.00 -1.53 0.00 0.00 36.38 31.06 3gnn s VAL 59 CO 0.01 0.53 1.11 0.54 -3.33 0.00 0.00 175.10 173.96 3gnn n ARG 60 N 1.88 1.84 -3.99 1.54 1.74 0.50 0.22 116.66 120.38 3gnn n ARG 60 Ca -0.10 -1.71 -0.09 0.00 -0.77 0.00 0.00 57.85 55.18 3gnn n ARG 60 Cb 0.51 -1.28 -0.05 0.00 -1.02 0.00 0.00 32.46 30.61 3gnn n ARG 60 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3gnn s GLU 61 N -1.04 1.56 0.29 5.56 -1.05 -1.26 -4.47 118.70 118.29 3gnn s GLU 61 Ca 0.21 -1.25 -0.30 0.00 -0.15 0.00 0.00 54.97 53.48 3gnn s GLU 61 Cb 0.12 0.48 -0.12 0.00 -0.44 0.00 0.00 34.13 34.17 3gnn s GLU 61 CO 0.17 -0.65 1.61 -0.25 0.95 0.00 0.00 175.26 177.09 3gnn n ASP 62 N -0.40 3.86 -3.53 0.83 9.92 -1.26 -3.97 116.55 122.00 3gnn n ASP 62 Ca -0.02 1.14 -0.13 0.00 -0.53 0.00 0.00 54.79 55.26 3gnn n ASP 62 Cb 0.62 -1.59 -0.05 0.00 -0.64 0.00 0.00 41.12 39.46 3gnn n ASP 62 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3gnn s ALA 63 N 0.09 -1.83 -0.02 2.24 0.00 -0.69 -4.94 121.76 116.61 3gnn s ALA 63 Ca 0.65 1.31 -0.24 0.00 0.00 0.00 0.00 51.96 53.68 3gnn s ALA 63 Cb -0.50 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 3gnn s ALA 63 CO 0.47 -0.43 0.72 0.08 0.00 0.00 0.00 175.76 176.60 3gnn s VAL 64 N -1.71 4.92 -0.01 0.00 1.01 -1.26 -0.98 120.40 122.38 3gnn s VAL 64 Ca -0.03 1.51 -0.30 0.00 0.00 0.00 0.00 61.98 63.16 3gnn s VAL 64 Cb -0.00 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 3gnn s VAL 64 CO 0.01 0.30 1.14 -0.22 0.00 0.00 0.00 175.10 176.33 3gnn s LEU 65 N 0.42 4.33 -0.16 3.92 2.96 -0.92 -4.51 118.68 124.72 3gnn s LEU 65 Ca 0.38 1.83 -0.17 0.00 -0.22 0.00 0.00 54.13 55.95 3gnn s LEU 65 Cb -0.19 -3.57 0.05 0.00 0.50 0.00 0.00 46.19 42.98 3gnn s LEU 65 CO 0.20 -0.46 0.48 0.00 -1.32 0.00 0.00 176.35 175.24 3gnn n GLY 67 N 2.59 1.39 0.25 0.00 0.00 -1.26 -3.04 105.19 105.12 3gnn n GLY 67 Ca -0.14 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 3gnn n GLY 67 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gnn h VAL 68 N 0.00 1.13 -0.34 1.61 2.07 -1.94 0.33 116.25 119.11 3gnn h VAL 68 Ca 0.00 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.26 3gnn h VAL 68 Cb 0.00 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 3gnn h VAL 68 CO 0.00 0.15 0.23 -0.65 0.02 0.00 0.00 177.57 177.31 3gnn h PRO 69 N 0.80 0.41 0.08 1.57 0.11 -1.96 0.49 132.00 133.50 3gnn h PRO 69 Ca 0.23 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.21 3gnn h PRO 69 Cb -0.05 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 30.97 3gnn h PRO 69 CO -0.07 0.27 -0.50 -1.49 -0.21 0.00 0.00 178.00 176.00 3gnn h TRP 70 N 0.42 0.31 -0.57 0.65 6.55 -1.81 -1.14 115.95 120.36 3gnn h TRP 70 Ca 0.13 -0.23 0.09 0.00 0.95 0.00 0.00 58.89 59.84 3gnn h TRP 70 Cb 0.01 -0.01 -0.07 0.00 -0.86 0.00 0.00 29.16 28.22 3gnn h TRP 70 CO -0.00 1.19 0.16 0.35 -1.05 0.00 0.00 178.44 179.10 3gnn h PHE 71 N -0.64 0.27 -0.31 0.49 3.57 -0.77 -0.69 116.94 118.87 3gnn h PHE 71 Ca -0.09 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.33 3gnn h PHE 71 Cb 1.38 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.08 3gnn h PHE 71 CO 0.23 0.04 -0.25 -0.44 -2.23 0.00 0.00 178.31 175.65 3gnn h ASP 72 N 0.32 0.75 -0.05 0.41 3.32 -0.95 -2.64 116.42 117.58 3gnn h ASP 72 Ca 0.29 -0.45 -0.07 0.00 0.02 0.00 0.00 57.03 56.81 3gnn h ASP 72 Cb 0.38 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3gnn h ASP 72 CO -0.33 1.05 -0.17 0.00 -1.72 0.00 0.00 179.24 178.07 3gnn h ALA 73 N 0.73 1.28 -0.16 3.45 0.00 -0.98 -2.30 119.26 121.27 3gnn h ALA 73 Ca 0.06 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3gnn h ALA 73 Cb 0.81 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3gnn h ALA 73 CO 0.07 0.48 -0.14 0.28 0.00 0.00 0.00 179.25 179.93 3gnn h VAL 74 N 0.38 1.34 -0.35 0.00 2.07 -1.04 -2.65 116.25 116.00 3gnn h VAL 74 Ca 0.07 -1.29 0.03 0.00 0.82 0.00 0.00 66.70 66.33 3gnn h VAL 74 Cb 0.52 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 3gnn h VAL 74 CO 0.03 0.38 0.14 0.58 0.02 0.00 0.00 177.57 178.73 3gnn h VAL 75 N 0.02 0.93 -0.71 2.57 2.07 -1.41 -1.40 116.25 118.32 3gnn h VAL 75 Ca 0.03 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.49 3gnn h VAL 75 Cb 0.67 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3gnn h VAL 75 CO 0.04 0.06 0.47 -0.09 0.02 0.00 0.00 177.57 178.06 3gnn h ARG 76 N 0.30 0.80 -0.15 1.57 2.43 -1.40 0.98 114.38 118.91 3gnn h ARG 76 Ca 0.15 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.09 3gnn h ARG 76 Cb 0.10 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3gnn h ARG 76 CO -0.14 0.53 -0.66 0.00 -1.51 0.00 0.00 179.97 178.19 3gnn h ALA 77 N 1.59 0.56 -0.17 2.80 0.00 -1.04 -2.39 119.26 120.61 3gnn h ALA 77 Ca 0.29 -0.57 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 3gnn h ALA 77 Cb 0.13 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3gnn h ALA 77 CO -0.09 0.71 -0.66 0.28 0.00 0.00 0.00 179.25 179.50 3gnn h VAL 78 N 0.42 1.31 -0.59 0.00 2.07 -0.66 -3.45 116.25 115.35 3gnn h VAL 78 Ca -0.02 -1.92 0.16 0.00 0.82 0.00 0.00 66.70 65.74 3gnn h VAL 78 Cb 1.24 1.89 -0.21 0.00 -1.52 0.00 0.00 31.29 32.70 3gnn h VAL 78 CO 0.13 0.60 -0.08 -0.62 0.02 0.00 0.00 177.57 177.61 3gnn s ASP 79 N -6.99 -0.88 0.00 0.57 -1.08 0.28 -5.01 116.67 103.57 3gnn s ASP 79 Ca -0.08 0.36 0.03 0.00 -0.52 0.00 0.00 52.55 52.34 3gnn s ASP 79 Cb 0.10 1.66 0.20 0.00 -1.46 0.00 0.00 42.92 43.42 3gnn s ASP 79 CO 0.87 -0.16 0.96 -0.81 0.52 0.00 0.00 175.17 176.55 3gnn n PRO 80 N 5.38 0.82 0.05 4.34 -0.04 -0.92 -1.76 135.00 142.86 3gnn n PRO 80 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 3gnn n PRO 80 Cb 0.54 -1.06 0.02 0.00 -0.04 0.00 0.00 33.50 32.96 3gnn n PRO 80 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3gnn n SER 81 N -0.56 0.62 -4.73 3.54 7.64 -1.26 -4.95 113.62 113.92 3gnn n SER 81 Ca 0.03 -0.03 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 3gnn n SER 81 Cb 0.01 0.73 -0.02 0.00 -1.01 0.00 0.00 64.21 63.92 3gnn n SER 81 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3gnn s ILE 82 N -3.26 2.20 -0.18 0.44 1.01 -0.72 -4.90 121.20 115.79 3gnn s ILE 82 Ca 0.02 0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.73 3gnn s ILE 82 Cb 0.13 -3.10 -0.05 0.00 0.01 0.00 0.00 42.46 39.46 3gnn s ILE 82 CO 0.80 0.02 0.15 -0.70 0.00 0.00 0.00 174.94 175.20 3gnn s GLU 83 N 0.50 4.04 -0.16 2.79 2.12 -0.78 -4.93 118.70 122.28 3gnn s GLU 83 Ca 0.69 -0.17 -0.00 0.00 0.36 0.00 0.00 54.97 55.85 3gnn s GLU 83 Cb -0.47 -3.37 -0.00 0.00 0.26 0.00 0.00 34.13 30.54 3gnn s GLU 83 CO 0.38 0.40 -0.14 0.08 -0.54 0.00 0.00 175.26 175.44 3gnn s VAL 84 N 0.07 2.78 -0.19 3.70 1.01 -1.26 -1.93 120.40 124.57 3gnn s VAL 84 Ca 0.10 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3gnn s VAL 84 Cb -0.11 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.11 3gnn s VAL 84 CO -0.00 0.51 -0.18 -1.81 0.00 0.00 0.00 175.10 173.62 3gnn s ASP 85 N 0.80 3.25 0.06 3.32 1.01 0.84 -4.95 116.67 120.99 3gnn s ASP 85 Ca -0.05 -0.73 -0.20 0.00 0.71 0.00 0.00 52.55 52.28 3gnn s ASP 85 Cb -0.15 -1.44 -0.06 0.00 1.01 0.00 0.00 42.92 42.27 3gnn s ASP 85 CO 0.00 -0.04 0.58 0.26 0.21 0.00 0.00 175.17 176.19 3gnn s TRP 86 N 1.29 3.78 -1.73 4.23 0.52 -1.26 -0.28 118.94 125.50 3gnn s TRP 86 Ca 0.03 1.26 0.24 0.00 0.02 0.00 0.00 56.10 57.65 3gnn s TRP 86 Cb -0.14 -2.53 0.20 0.00 -1.15 0.00 0.00 33.47 29.85 3gnn s TRP 86 CO -0.12 0.53 1.21 0.54 0.02 0.00 0.00 176.95 179.14 3gnn n ARG 87 N 1.95 0.84 -3.92 4.98 5.12 0.16 -4.95 116.66 120.84 3gnn n ARG 87 Ca -0.09 -0.64 -0.10 0.00 -1.93 0.00 0.00 57.85 55.09 3gnn n ARG 87 Cb 0.51 -1.49 -0.10 0.00 -1.16 0.00 0.00 32.46 30.22 3gnn n ARG 87 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 3gnn s HIS 88 N -2.60 0.16 0.18 -1.55 3.76 -1.24 -5.00 115.29 109.00 3gnn s HIS 88 Ca 0.18 -0.36 0.04 0.00 -0.15 0.00 0.00 55.06 54.76 3gnn s HIS 88 Cb 0.18 -0.12 -0.03 0.00 1.11 0.00 0.00 32.58 33.72 3gnn s HIS 88 CO 0.61 -0.28 0.31 1.03 -0.85 0.00 0.00 174.74 175.56 3gnn s ARG 89 N -1.74 3.42 0.27 1.40 0.52 -1.26 -4.79 118.95 116.76 3gnn s ARG 89 Ca -0.13 -0.67 -0.31 0.00 -0.52 0.00 0.00 55.73 54.11 3gnn s ARG 89 Cb -0.07 -2.92 -0.12 0.00 0.52 0.00 0.00 34.95 32.36 3gnn s ARG 89 CO -0.01 0.49 1.53 0.39 0.02 0.00 0.00 175.30 177.72 3gnn n GLU 90 N -0.86 2.45 0.00 3.54 1.02 0.77 -2.21 120.64 125.35 3gnn n GLU 90 Ca -0.08 0.87 0.00 0.00 -0.02 0.00 0.00 57.16 57.94 3gnn n GLU 90 Cb 0.55 -2.61 0.00 0.00 -0.02 0.00 0.00 31.44 29.36 3gnn n GLU 90 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gnn n GLY 91 N 2.28 0.10 3.78 0.62 0.00 0.01 -4.65 105.19 107.32 3gnn n GLY 91 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 3gnn n GLY 91 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gnn s ASP 92 N -2.02 6.15 -0.40 1.61 1.11 -0.94 -4.78 116.67 117.39 3gnn s ASP 92 Ca 0.00 2.20 -0.16 0.00 0.18 0.00 0.00 52.55 54.77 3gnn s ASP 92 Cb 0.00 -2.59 0.01 0.00 1.07 0.00 0.00 42.92 41.41 3gnn s ASP 92 CO 0.00 -0.93 0.40 -0.13 1.18 0.00 0.00 175.17 175.69 3gnn s ARG 93 N -2.87 3.20 -0.01 8.23 0.52 -1.26 -2.16 118.95 124.59 3gnn s ARG 93 Ca 0.65 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 55.16 3gnn s ARG 93 Cb -0.25 -3.93 -0.04 0.00 0.52 0.00 0.00 34.95 31.25 3gnn s ARG 93 CO 0.30 -0.75 0.02 -1.64 0.02 0.00 0.00 175.30 173.25 3gnn s MET 94 N 2.03 2.88 0.23 3.54 -1.94 -0.15 -4.96 119.30 120.93 3gnn s MET 94 Ca 0.11 -0.55 -0.04 0.00 -1.71 0.00 0.00 55.69 53.50 3gnn s MET 94 Cb -0.17 -2.73 -0.05 0.00 2.01 0.00 0.00 34.83 33.89 3gnn s MET 94 CO 0.13 0.64 0.47 -1.54 -0.01 0.00 0.00 175.02 174.71 3gnn s SER 95 N -1.51 6.44 0.27 3.03 1.04 -1.26 -1.70 113.70 120.01 3gnn s SER 95 Ca 0.19 0.60 -0.26 0.00 0.48 0.00 0.00 55.95 56.97 3gnn s SER 95 Cb -0.12 -2.09 -0.16 0.00 0.10 0.00 0.00 66.02 63.75 3gnn s SER 95 CO 0.10 -0.10 0.41 0.00 0.98 0.00 0.00 173.24 174.63 3gnn n ALA 96 N -0.63 -2.80 -0.89 5.32 0.00 -1.25 -2.34 120.51 117.91 3gnn n ALA 96 Ca -0.03 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.75 3gnn n ALA 96 Cb 0.53 -1.59 0.00 0.00 0.00 0.00 0.00 19.45 18.40 3gnn n ALA 96 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gnn n ASP 97 N 2.06 -0.56 -4.88 0.00 8.00 0.13 -4.90 116.55 116.40 3gnn n ASP 97 Ca 0.16 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.36 3gnn n ASP 97 Cb 0.30 -0.71 -0.00 0.00 -0.02 0.00 0.00 41.12 40.68 3gnn n ASP 97 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3gnn s SER 98 N -2.64 6.32 -0.07 -2.24 1.04 -0.99 -4.78 113.70 110.34 3gnn s SER 98 Ca 0.00 1.26 -0.22 0.00 0.48 0.00 0.00 55.95 57.46 3gnn s SER 98 Cb 0.00 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.69 3gnn s SER 98 CO 0.00 -0.69 0.66 -0.89 0.98 0.00 0.00 173.24 173.29 3gnn s THR 99 N -2.89 5.07 -0.25 2.02 2.01 -1.26 -1.56 115.64 118.77 3gnn s THR 99 Ca 0.53 1.35 0.04 0.00 0.31 0.00 0.00 61.69 63.92 3gnn s THR 99 Cb -0.11 -4.00 -0.18 0.00 0.01 0.00 0.00 72.50 68.23 3gnn s THR 99 CO 0.46 0.27 -0.20 1.33 -0.69 0.00 0.00 174.62 175.79 3gnn n VAL 100 N 3.73 1.48 -3.56 3.82 0.24 0.43 -4.68 118.33 119.79 3gnn n VAL 100 Ca -0.02 -0.60 -0.11 0.00 -2.04 0.00 0.00 64.34 61.57 3gnn n VAL 100 Cb 0.51 -1.32 -0.03 0.00 -1.47 0.00 0.00 33.84 31.53 3gnn n VAL 100 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gnn s GLU 102 N -3.80 2.18 0.09 0.00 2.12 0.62 -1.30 118.70 118.62 3gnn s GLU 102 Ca 0.04 -0.89 0.09 0.00 0.36 0.00 0.00 54.97 54.57 3gnn s GLU 102 Cb -0.01 -2.15 -0.04 0.00 0.26 0.00 0.00 34.13 32.20 3gnn s GLU 102 CO -0.09 0.57 -0.23 -0.51 -0.54 0.00 0.00 175.26 174.46 3gnn s LEU 103 N -0.82 2.45 -0.05 2.70 1.02 0.15 -0.12 118.68 124.02 3gnn s LEU 103 Ca 0.11 -0.61 0.03 0.00 0.02 0.00 0.00 54.13 53.68 3gnn s LEU 103 Cb -0.10 -1.38 0.01 0.00 0.02 0.00 0.00 46.19 44.74 3gnn s LEU 103 CO 0.01 0.21 -0.13 -0.13 0.02 0.00 0.00 176.35 176.33 3gnn s ARG 104 N -1.82 1.49 0.00 1.70 0.52 -0.81 0.17 118.95 120.19 3gnn s ARG 104 Ca 0.15 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 54.93 3gnn s ARG 104 Cb -0.10 -1.29 0.00 0.00 0.52 0.00 0.00 34.95 34.08 3gnn s ARG 104 CO 0.06 0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.91 3gnn n GLY 105 N 3.47 1.67 3.65 -3.53 0.00 -0.56 -1.87 105.19 108.01 3gnn n GLY 105 Ca -0.20 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 3gnn n GLY 105 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gnn n PRO 106 N -0.66 1.67 -0.09 1.61 -0.02 -1.26 -0.73 135.00 135.53 3gnn n PRO 106 Ca 0.00 0.59 0.08 0.00 -2.02 0.00 0.00 63.50 62.15 3gnn n PRO 106 Cb 0.00 -2.14 0.43 0.00 -0.02 0.00 0.00 33.50 31.77 3gnn n PRO 106 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gnn h ALA 107 N 2.02 1.83 0.06 3.55 0.00 -1.71 -1.18 119.26 123.83 3gnn h ALA 107 Ca -0.44 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gnn h ALA 107 Cb 1.31 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3gnn h ALA 107 CO 0.60 0.08 -0.03 -0.09 0.00 0.00 0.00 179.25 179.81 3gnn h ARG 108 N 0.56 -0.08 -0.76 0.00 2.43 -1.84 -1.78 114.38 112.91 3gnn h ARG 108 Ca 0.25 0.01 0.17 0.00 -0.81 0.00 0.00 59.98 59.60 3gnn h ARG 108 Cb 0.28 0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 29.71 3gnn h ARG 108 CO -0.07 0.41 0.01 0.00 -1.51 0.00 0.00 179.97 178.80 3gnn h ALA 109 N 0.28 0.79 -0.59 2.80 0.00 -1.84 -1.34 119.26 119.36 3gnn h ALA 109 Ca -0.01 0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3gnn h ALA 109 Cb 0.52 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3gnn h ALA 109 CO 0.01 -0.42 0.18 -0.07 0.00 0.00 0.00 179.25 178.95 3gnn h LEU 110 N 0.10 0.82 -0.74 0.00 3.38 -1.09 0.64 115.31 118.43 3gnn h LEU 110 Ca 0.41 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 58.12 3gnn h LEU 110 Cb 0.73 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3gnn h LEU 110 CO -0.66 0.78 -0.42 -0.07 0.09 0.00 0.00 178.44 178.16 3gnn h LEU 111 N 0.86 0.49 -0.43 1.67 4.07 -0.80 -1.96 115.31 119.21 3gnn h LEU 111 Ca 0.19 -0.22 -0.17 0.00 0.08 0.00 0.00 57.88 57.77 3gnn h LEU 111 Cb 0.26 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 41.86 3gnn h LEU 111 CO -0.01 0.85 -0.51 0.74 -1.08 0.00 0.00 178.44 178.43 3gnn h THR 112 N 0.38 1.29 0.00 0.22 2.02 -0.88 -2.41 112.91 113.54 3gnn h THR 112 Ca 0.03 -1.72 -0.06 0.00 0.77 0.00 0.00 66.41 65.44 3gnn h THR 112 Cb 0.89 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.93 3gnn h THR 112 CO 0.08 0.55 -0.27 0.00 0.37 0.00 0.00 175.52 176.25 3gnn h ALA 113 N 0.85 1.41 -0.11 6.16 0.00 -0.75 -2.70 119.26 124.12 3gnn h ALA 113 Ca 0.02 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 3gnn h ALA 113 Cb 1.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3gnn h ALA 113 CO 0.11 0.33 -0.30 1.49 0.00 0.00 0.00 179.25 180.88 3gnn h GLU 114 N 0.00 0.41 0.00 0.00 4.81 -0.89 0.19 114.58 119.10 3gnn h GLU 114 Ca -0.00 -0.28 -0.06 0.00 -0.13 0.00 0.00 59.36 58.88 3gnn h GLU 114 Cb 0.52 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3gnn h GLU 114 CO 0.03 0.90 -0.30 0.00 -0.73 0.00 0.00 179.01 178.92 3gnn h ARG 115 N -0.02 0.00 0.00 1.92 3.08 -1.38 -3.23 114.38 114.75 3gnn h ARG 115 Ca -0.01 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.84 3gnn h ARG 115 Cb 0.91 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.93 3gnn h ARG 115 CO 0.07 0.30 -2.14 0.09 -1.07 0.00 0.00 179.97 177.21 3gnn n ASN 116 N -4.15 0.37 -0.10 7.04 5.03 -1.02 -4.66 115.26 117.76 3gnn n ASN 116 Ca -0.02 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.31 3gnn n ASN 116 Cb 0.34 1.36 -0.13 0.00 -1.02 0.00 0.00 39.78 40.34 3gnn n ASN 116 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gnn n ALA 117 N -2.49 1.53 0.10 5.41 0.00 0.68 -4.47 120.51 121.26 3gnn n ALA 117 Ca -0.19 -1.13 -0.03 0.00 0.00 0.00 0.00 53.44 52.08 3gnn n ALA 117 Cb 0.87 -0.10 0.18 0.00 0.00 0.00 0.00 19.45 20.40 3gnn n ALA 117 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3gnn h LEU 118 N 0.00 0.24 -0.83 0.00 5.85 -1.65 -1.87 115.31 117.04 3gnn h LEU 118 Ca -0.50 -0.11 0.16 0.00 0.84 0.00 0.00 57.88 58.26 3gnn h LEU 118 Cb 2.01 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 42.87 3gnn h LEU 118 CO -0.01 0.70 0.39 0.78 -0.34 0.00 0.00 178.44 179.96 3gnn h ASN 119 N 0.17 0.42 -0.73 1.25 2.35 -1.81 0.13 115.58 117.37 3gnn h ASN 119 Ca 0.01 0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3gnn h ASN 119 Cb 0.94 0.06 -0.04 0.00 0.05 0.00 0.00 38.32 39.34 3gnn h ASN 119 CO 0.08 0.14 0.38 -0.26 -1.65 0.00 0.00 177.43 176.11 3gnn h PHE 120 N 0.53 1.03 -0.28 1.19 0.04 -1.57 -1.53 116.94 116.35 3gnn h PHE 120 Ca 0.47 -0.03 -0.12 0.00 2.80 0.00 0.00 57.97 61.09 3gnn h PHE 120 Cb 0.74 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 38.55 3gnn h PHE 120 CO -0.12 0.74 -0.29 -0.07 -0.60 0.00 0.00 178.31 177.96 3gnn h LEU 121 N 1.05 0.75 -0.78 1.54 3.38 -1.05 0.38 115.31 120.58 3gnn h LEU 121 Ca 0.26 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 3gnn h LEU 121 Cb 0.07 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3gnn h LEU 121 CO -0.04 1.07 0.35 1.56 0.09 0.00 0.00 178.44 181.47 3gnn h GLN 122 N 0.44 1.13 -0.02 1.13 4.20 -0.68 0.47 115.11 121.78 3gnn h GLN 122 Ca 0.04 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.52 3gnn h GLN 122 Cb 0.86 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.45 3gnn h GLN 122 CO 0.07 0.90 -0.20 1.25 -0.67 0.00 0.00 178.83 180.19 3gnn h LEU 123 N 1.11 0.20 -0.09 1.46 5.85 -1.22 -0.81 115.31 121.81 3gnn h LEU 123 Ca 0.26 -0.72 -0.15 0.00 0.84 0.00 0.00 57.88 58.11 3gnn h LEU 123 Cb 0.16 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3gnn h LEU 123 CO -0.03 0.89 -0.72 -0.07 -0.34 0.00 0.00 178.44 178.18 3gnn h LEU 124 N -0.47 0.00 -0.36 2.25 3.38 -0.91 -0.98 115.31 118.22 3gnn h LEU 124 Ca -0.02 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 3gnn h LEU 124 Cb 0.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 3gnn h LEU 124 CO 0.04 0.72 -0.49 0.28 0.09 0.00 0.00 178.44 179.08 3gnn h SER 125 N 0.00 0.96 -0.56 -0.43 0.02 -0.81 -1.64 113.55 111.09 3gnn h SER 125 Ca -0.01 -0.48 0.05 0.00 -0.84 0.00 0.00 61.79 60.51 3gnn h SER 125 Cb 1.51 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 63.73 3gnn h SER 125 CO 0.09 1.28 0.28 1.23 -1.14 0.00 0.00 176.83 178.57 3gnn h GLY 126 N 0.76 0.79 0.77 -3.77 0.00 -0.91 0.17 103.07 100.87 3gnn h GLY 126 Ca 0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 3gnn h GLY 126 CO 0.11 0.10 -0.06 -2.08 0.00 0.00 0.00 176.54 174.62 3gnn h VAL 127 N 0.53 1.30 -0.61 4.60 2.07 -1.15 -1.96 116.25 121.02 3gnn h VAL 127 Ca 0.25 -1.05 0.08 0.00 0.82 0.00 0.00 66.70 66.80 3gnn h VAL 127 Cb 0.18 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 3gnn h VAL 127 CO -0.18 0.31 0.27 0.00 0.02 0.00 0.00 177.57 177.99 3gnn h ALA 128 N 0.70 0.80 -0.60 1.67 0.00 -1.00 -1.34 119.26 119.50 3gnn h ALA 128 Ca 0.04 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3gnn h ALA 128 Cb 0.51 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3gnn h ALA 128 CO 0.02 -0.12 0.11 0.77 0.00 0.00 0.00 179.25 180.03 3gnn h SER 129 N 0.49 0.94 -0.21 0.00 0.02 -0.60 -1.49 113.55 112.70 3gnn h SER 129 Ca 0.29 -0.26 -0.14 0.00 -0.84 0.00 0.00 61.79 60.85 3gnn h SER 129 Cb 0.30 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3gnn h SER 129 CO -0.25 0.95 -0.35 0.00 -1.14 0.00 0.00 176.83 176.04 3gnn h ALA 130 N 1.02 0.77 -0.29 3.77 0.00 -0.95 -1.68 119.26 121.90 3gnn h ALA 130 Ca 0.18 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3gnn h ALA 130 Cb 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3gnn h ALA 130 CO 0.01 0.65 -0.01 1.15 0.00 0.00 0.00 179.25 181.05 3gnn h THR 131 N 0.61 1.26 -0.84 0.00 2.02 -1.15 -2.77 112.91 112.05 3gnn h THR 131 Ca 0.06 -0.96 0.02 0.00 0.77 0.00 0.00 66.41 66.30 3gnn h THR 131 Cb 0.89 1.32 -0.05 0.00 -1.74 0.00 0.00 68.15 68.57 3gnn h THR 131 CO 0.08 0.31 0.55 -0.09 0.37 0.00 0.00 175.52 176.74 3gnn h ARG 132 N 0.30 1.05 -0.75 6.66 9.65 -1.11 0.20 114.38 130.37 3gnn h ARG 132 Ca 0.08 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.88 3gnn h ARG 132 Cb 0.45 -0.24 -0.04 0.00 -1.39 0.00 0.00 29.97 28.76 3gnn h ARG 132 CO 0.02 0.69 0.39 0.37 2.80 0.00 0.00 179.97 184.24 3gnn h GLN 133 N 1.08 1.06 -0.04 0.20 4.15 -1.05 0.12 115.11 120.62 3gnn h GLN 133 Ca 0.32 -0.13 -0.22 0.00 0.77 0.00 0.00 58.65 59.39 3gnn h GLN 133 Cb -0.04 -0.20 0.02 0.00 0.21 0.00 0.00 27.48 27.47 3gnn h GLN 133 CO -0.09 0.79 -0.85 1.88 -1.93 0.00 0.00 178.83 178.64 3gnn h TYR 134 N 1.06 0.93 -0.88 3.99 -1.99 -1.13 -2.87 116.97 116.09 3gnn h TYR 134 Ca 0.26 -0.48 -0.01 0.00 2.00 0.00 0.00 58.73 60.50 3gnn h TYR 134 Cb 0.06 -0.12 -0.04 0.00 2.00 0.00 0.00 36.73 38.64 3gnn h TYR 134 CO 0.01 1.31 0.49 0.28 -0.00 0.00 0.00 178.16 180.25 3gnn h VAL 135 N 0.30 1.25 -0.41 -2.88 2.07 -0.36 -2.06 116.25 114.15 3gnn h VAL 135 Ca -0.09 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 3gnn h VAL 135 Cb 1.51 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3gnn h VAL 135 CO 0.17 0.28 0.20 0.44 0.02 0.00 0.00 177.57 178.67 3gnn h ASP 136 N 1.22 0.54 0.50 0.57 3.32 -0.83 -2.67 116.42 119.08 3gnn h ASP 136 Ca 0.31 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3gnn h ASP 136 Cb 0.01 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3gnn h ASP 136 CO -0.05 0.52 0.00 -0.09 -1.72 0.00 0.00 179.24 177.90 3gnn h ARG 137 N 0.53 0.00 -0.34 3.56 2.43 -1.14 -1.61 114.38 117.79 3gnn h ARG 137 Ca 0.14 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.15 3gnn h ARG 137 Cb 0.12 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.58 3gnn h ARG 137 CO -0.02 0.00 -0.05 0.44 -1.51 0.00 0.00 179.97 178.83 3gnn n ILE 138 N -2.32 2.52 -1.94 1.20 -5.35 -1.01 -4.48 119.36 107.97 3gnn n ILE 138 Ca 0.01 -2.59 -0.40 0.00 -0.27 0.00 0.00 62.75 59.50 3gnn n ILE 138 Cb 0.17 -0.31 0.00 0.00 -1.74 0.00 0.00 39.64 37.76 3gnn n ILE 138 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gnn s ALA 139 N -3.18 3.32 -0.83 -1.28 0.00 -0.61 -3.21 121.76 115.97 3gnn s ALA 139 Ca 0.44 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.76 3gnn s ALA 139 Cb 0.40 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.98 3gnn s ALA 139 CO 0.01 -0.96 0.00 -3.47 0.00 0.00 0.00 175.76 171.34 3gnn n ASP 140 N 0.14 -3.32 -4.50 0.00 2.03 -1.26 -5.04 116.55 104.60 3gnn n ASP 140 Ca 0.03 0.01 -0.27 0.00 0.52 0.00 0.00 54.79 55.08 3gnn n ASP 140 Cb 0.42 -2.51 -0.09 0.00 -0.72 0.00 0.00 41.12 38.22 3gnn n ASP 140 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3gnn s THR 141 N -2.46 1.22 -2.11 5.18 -4.23 -1.20 -5.05 115.64 106.99 3gnn s THR 141 Ca 0.00 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.66 3gnn s THR 141 Cb 0.00 -2.55 0.37 0.00 1.34 0.00 0.00 72.50 71.66 3gnn s THR 141 CO 0.00 0.00 1.38 -2.11 -0.54 0.00 0.00 174.62 173.35 3gnn n ARG 142 N -0.97 1.74 -1.50 3.99 1.85 -1.26 -4.95 116.66 115.56 3gnn n ARG 142 Ca -0.09 -1.14 -0.30 0.00 -1.00 0.00 0.00 57.85 55.33 3gnn n ARG 142 Cb 0.66 -1.32 0.10 0.00 -1.05 0.00 0.00 32.46 30.86 3gnn n ARG 142 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3gnn s ALA 143 N -1.66 2.14 -0.02 2.89 0.00 -1.26 -4.78 121.76 119.07 3gnn s ALA 143 Ca 0.27 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.06 3gnn s ALA 143 Cb 0.14 -3.12 0.01 0.00 0.00 0.00 0.00 23.12 20.15 3gnn s ALA 143 CO 0.20 -1.83 -0.05 1.03 0.00 0.00 0.00 175.76 175.11 3gnn s ARG 144 N -5.12 0.63 0.13 0.00 1.81 -0.69 -4.96 118.95 110.76 3gnn s ARG 144 Ca 0.61 -0.14 -0.30 0.00 -1.72 0.00 0.00 55.73 54.18 3gnn s ARG 144 Cb -0.15 -0.65 -0.07 0.00 -0.45 0.00 0.00 34.95 33.64 3gnn s ARG 144 CO 0.55 0.01 1.12 0.42 -0.68 0.00 0.00 175.30 176.72 3gnn s ILE 145 N 0.44 3.98 0.28 1.52 -1.09 -1.26 -1.46 121.20 123.61 3gnn s ILE 145 Ca -0.05 1.60 0.05 0.00 -2.23 0.00 0.00 60.65 60.02 3gnn s ILE 145 Cb -0.09 -4.02 -0.06 0.00 -1.58 0.00 0.00 42.46 36.71 3gnn s ILE 145 CO -0.00 0.23 -0.01 -0.76 -1.23 0.00 0.00 174.94 173.16 3gnn s LEU 146 N 0.11 2.33 0.62 2.97 1.43 -0.54 0.65 118.68 126.25 3gnn s LEU 146 Ca 0.52 -1.25 0.01 0.00 -1.03 0.00 0.00 54.13 52.39 3gnn s LEU 146 Cb -0.29 -0.47 0.08 0.00 0.03 0.00 0.00 46.19 45.54 3gnn s LEU 146 CO 0.33 -0.46 0.87 1.51 0.23 0.00 0.00 176.35 178.83 3gnn s ASP 147 N -3.42 4.86 0.65 2.29 1.47 -1.26 -2.46 116.67 118.80 3gnn s ASP 147 Ca 0.31 -0.26 -0.07 0.00 1.18 0.00 0.00 52.55 53.72 3gnn s ASP 147 Cb 0.06 -0.38 0.03 0.00 -0.34 0.00 0.00 42.92 42.29 3gnn s ASP 147 CO 0.12 -1.47 0.97 -0.89 0.68 0.00 0.00 175.17 174.57 3gnn s THR 148 N -2.91 3.02 0.30 2.11 2.01 -1.26 -4.73 115.64 114.17 3gnn s THR 148 Ca 0.62 -0.09 0.34 0.00 0.31 0.00 0.00 61.69 62.86 3gnn s THR 148 Cb -0.08 -3.25 0.37 0.00 0.01 0.00 0.00 72.50 69.55 3gnn s THR 148 CO 0.41 -0.27 2.07 0.08 -0.69 0.00 0.00 174.62 176.22 3gnn h ARG 149 N -0.40 0.00 -5.30 4.92 -0.00 -1.98 -3.43 114.38 108.19 3gnn h ARG 149 Ca -0.45 0.00 -0.62 0.00 -0.00 0.00 0.00 59.98 58.92 3gnn h ARG 149 Cb 1.28 0.00 -0.13 0.00 -0.00 0.00 0.00 29.97 31.12 3gnn h ARG 149 CO 0.61 0.05 -0.17 -1.59 -0.00 0.00 0.00 179.97 178.87 3gnn s LYS 150 N -3.89 4.09 0.46 0.08 0.00 -1.26 -5.06 119.74 114.15 3gnn s LYS 150 Ca -0.01 0.17 0.03 0.00 0.00 0.00 0.00 55.97 56.15 3gnn s LYS 150 Cb 0.11 -3.61 -0.02 0.00 0.00 0.00 0.00 37.83 34.31 3gnn s LYS 150 CO 0.53 -0.21 0.07 0.95 0.00 0.00 0.00 175.35 176.69 3gnn s THR 151 N 1.86 0.86 0.23 3.79 -4.23 -1.26 -4.88 115.64 112.01 3gnn s THR 151 Ca 0.18 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.39 3gnn s THR 151 Cb -0.15 -2.27 -0.09 0.00 1.34 0.00 0.00 72.50 71.33 3gnn s THR 151 CO 0.09 0.00 1.07 -0.76 -0.54 0.00 0.00 174.62 174.48 3gnn s LEU 152 N -3.73 4.54 0.16 4.79 2.01 -1.26 -4.95 118.68 120.24 3gnn s LEU 152 Ca 0.15 2.14 -0.34 0.00 0.01 0.00 0.00 54.13 56.09 3gnn s LEU 152 Cb 0.02 -3.61 -0.14 0.00 0.01 0.00 0.00 46.19 42.47 3gnn s LEU 152 CO 0.09 -0.12 1.54 -0.81 1.01 0.00 0.00 176.35 178.06 3gnn n PRO 153 N 1.71 2.03 -0.13 1.29 -0.04 -1.26 -1.65 135.00 136.95 3gnn n PRO 153 Ca 0.00 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 3gnn n PRO 153 Cb 0.46 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 3gnn n PRO 153 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gnn n GLY 154 N 3.20 2.64 0.11 0.55 0.00 -1.26 -4.83 105.19 105.61 3gnn n GLY 154 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.28 3gnn n GLY 154 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gnn n LEU 155 N 0.00 2.16 0.38 0.99 4.77 -0.66 -4.87 117.00 119.76 3gnn n LEU 155 Ca 0.00 -2.92 -0.17 0.00 -0.03 0.00 0.00 56.01 52.89 3gnn n LEU 155 Cb 0.00 -0.39 -0.08 0.00 -2.33 0.00 0.00 43.42 40.61 3gnn n LEU 155 CO 0.00 0.68 0.53 -0.09 -1.33 0.00 0.00 177.39 177.18 3gnn h ARG 156 N 0.01 -1.00 -0.66 3.23 2.43 -1.88 -0.60 114.38 115.91 3gnn h ARG 156 Ca -0.00 0.07 0.11 0.00 -0.81 0.00 0.00 59.98 59.35 3gnn h ARG 156 Cb 1.03 0.23 -0.08 0.00 -0.42 0.00 0.00 29.97 30.73 3gnn h ARG 156 CO 0.00 -0.67 0.25 -0.07 -1.51 0.00 0.00 179.97 177.98 3gnn h LEU 157 N -1.04 0.25 -0.35 3.80 3.38 -1.95 -0.74 115.31 118.65 3gnn h LEU 157 Ca -0.10 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3gnn h LEU 157 Cb 0.82 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.55 3gnn h LEU 157 CO 0.12 0.13 -0.38 0.00 0.09 0.00 0.00 178.44 178.40 3gnn h ALA 158 N 1.46 -0.35 -0.77 1.53 0.00 -1.92 0.21 119.26 119.42 3gnn h ALA 158 Ca 0.34 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.35 3gnn h ALA 158 Cb 0.45 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 3gnn h ALA 158 CO -0.34 -0.81 0.49 1.96 0.00 0.00 0.00 179.25 180.55 3gnn h GLN 159 N -0.33 0.93 -0.46 0.00 4.20 -0.61 -1.07 115.11 117.78 3gnn h GLN 159 Ca 0.14 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 3gnn h GLN 159 Cb 0.57 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 3gnn h GLN 159 CO -0.52 0.62 0.01 0.87 -0.67 0.00 0.00 178.83 179.14 3gnn h LYS 160 N 0.96 0.80 0.04 1.46 1.57 -0.64 -0.52 116.57 120.24 3gnn h LYS 160 Ca 0.31 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3gnn h LYS 160 Cb 0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3gnn h LYS 160 CO -0.11 0.85 -0.20 -0.92 -0.57 0.00 0.00 179.45 178.51 3gnn h TYR 161 N 0.65 -0.53 -0.82 -1.35 3.20 -0.88 -0.64 116.97 116.61 3gnn h TYR 161 Ca 0.13 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.05 3gnn h TYR 161 Cb 0.48 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.94 3gnn h TYR 161 CO 0.04 -0.29 0.54 0.00 -1.64 0.00 0.00 178.16 176.81 3gnn h ALA 162 N 0.52 1.49 -0.26 1.82 0.00 -0.88 -0.47 119.26 121.49 3gnn h ALA 162 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gnn h ALA 162 Cb 0.40 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3gnn h ALA 162 CO -0.16 0.43 0.17 0.28 0.00 0.00 0.00 179.25 179.97 3gnn h VAL 163 N 1.02 1.07 -0.77 0.00 2.07 -0.63 0.34 116.25 119.35 3gnn h VAL 163 Ca 0.32 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.74 3gnn h VAL 163 Cb 0.03 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3gnn h VAL 163 CO -0.09 0.07 0.49 0.03 0.02 0.00 0.00 177.57 178.09 3gnn h ARG 164 N 0.34 0.95 0.00 1.57 2.47 -0.47 -1.40 114.38 117.85 3gnn h ARG 164 Ca 0.09 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.70 3gnn h ARG 164 Cb -0.04 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.06 3gnn h ARG 164 CO -0.02 0.63 -0.28 0.28 0.56 0.00 0.00 179.97 181.14 3gnn h VAL 165 N 0.98 0.89 0.00 2.04 2.07 -0.68 0.32 116.25 121.87 3gnn h VAL 165 Ca 0.30 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.71 3gnn h VAL 165 Cb -0.03 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3gnn h VAL 165 CO -0.09 0.28 0.00 0.61 0.02 0.00 0.00 177.57 178.38 3gnn n GLY 166 N -0.29 -0.91 0.06 2.17 0.00 0.07 -4.64 105.19 101.65 3gnn n GLY 166 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3gnn n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gnn n GLY 167 N 0.63 0.57 3.52 -0.02 0.00 0.11 -3.16 105.19 106.84 3gnn n GLY 167 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3gnn n GLY 167 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gnn s GLY 168 N -1.13 1.53 0.14 -0.02 0.00 -0.55 -4.76 107.32 102.52 3gnn s GLY 168 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 44.72 44.12 3gnn s GLY 168 CO 0.00 0.19 0.20 0.00 0.00 0.00 0.00 173.10 173.49 3gnn s ALA 169 N -2.71 3.78 0.53 3.20 0.00 0.21 -4.41 121.76 122.35 3gnn s ALA 169 Ca 0.69 -1.08 0.42 0.00 0.00 0.00 0.00 51.96 51.99 3gnn s ALA 169 Cb -0.16 -1.59 1.44 0.00 0.00 0.00 0.00 23.12 22.81 3gnn s ALA 169 CO 0.59 0.58 1.39 -1.71 0.00 0.00 0.00 175.76 176.60 3gnn n ASN 170 N -0.28 0.00 -0.09 0.00 2.85 -1.26 -4.81 115.26 111.67 3gnn n ASN 170 Ca -0.07 0.87 0.00 0.00 -0.11 0.00 0.00 54.58 55.27 3gnn n ASN 170 Cb 0.54 -0.41 0.00 0.00 1.24 0.00 0.00 39.78 41.15 3gnn n ASN 170 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gnn n GLN 171 N -3.62 0.00 0.00 1.20 6.02 -1.26 -5.12 117.38 114.59 3gnn n GLN 171 Ca 0.37 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 3gnn n GLN 171 Cb 1.78 -0.01 0.00 0.00 1.02 0.00 0.00 30.24 33.03 3gnn n GLN 171 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gnn n GLY 191 N 2.51 0.00 0.32 1.08 0.00 -1.26 -5.01 105.19 102.82 3gnn n GLY 191 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 3gnn n GLY 191 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gnn h VAL 192 N 0.00 1.24 0.12 1.61 2.07 -1.98 -2.79 116.25 116.52 3gnn h VAL 192 Ca 0.00 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 3gnn h VAL 192 Cb 0.00 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3gnn h VAL 192 CO 0.00 0.31 -0.06 1.23 0.02 0.00 0.00 177.57 179.08 3gnn h GLY 193 N 1.03 -0.16 0.68 2.17 0.00 -1.95 -2.85 103.07 101.98 3gnn h GLY 193 Ca 0.20 0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.67 3gnn h GLY 193 CO -0.01 -0.06 0.60 1.05 0.00 0.00 0.00 176.54 178.12 3gnn h GLU 194 N -0.49 1.03 -0.18 4.80 -0.00 -1.99 -2.20 114.58 115.55 3gnn h GLU 194 Ca -0.02 -0.06 -0.08 0.00 -0.00 0.00 0.00 59.36 59.21 3gnn h GLU 194 Cb 0.40 -0.23 -0.01 0.00 -0.00 0.00 0.00 28.75 28.90 3gnn h GLU 194 CO 0.03 0.68 -0.22 0.00 -0.00 0.00 0.00 179.01 179.50 3gnn h ALA 195 N 1.45 1.29 0.00 1.06 0.00 -1.52 -2.80 119.26 118.74 3gnn h ALA 195 Ca 0.42 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3gnn h ALA 195 Cb 0.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3gnn h ALA 195 CO -0.19 0.47 -0.45 -0.07 0.00 0.00 0.00 179.25 179.02 3gnn h LEU 196 N 0.29 0.00 -0.11 0.00 3.38 -1.15 -3.07 115.31 114.66 3gnn h LEU 196 Ca 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3gnn h LEU 196 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3gnn h LEU 196 CO 0.04 0.45 -0.14 0.44 0.09 0.00 0.00 178.44 179.32 3gnn h ASP 197 N 0.00 0.30 -0.46 -0.43 3.32 -1.31 -1.56 116.42 116.28 3gnn h ASP 197 Ca -0.00 -0.51 0.09 0.00 0.02 0.00 0.00 57.03 56.63 3gnn h ASP 197 Cb 0.93 -0.09 -0.08 0.00 0.22 0.00 0.00 39.33 40.32 3gnn h ASP 197 CO 0.06 0.75 -0.03 0.00 -1.72 0.00 0.00 179.24 178.30 3gnn h ALA 198 N 0.56 0.40 -0.36 3.45 0.00 -1.58 0.52 119.26 122.25 3gnn h ALA 198 Ca 0.01 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3gnn h ALA 198 Cb 0.68 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3gnn h ALA 198 CO 0.03 -0.41 0.24 0.00 0.00 0.00 0.00 179.25 179.11 3gnn h ALA 199 N 1.43 0.46 -0.96 0.00 0.00 -1.53 -2.40 119.26 116.26 3gnn h ALA 199 Ca 0.23 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.21 3gnn h ALA 199 Cb 0.35 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 3gnn h ALA 199 CO -0.41 -0.07 0.61 0.27 0.00 0.00 0.00 179.25 179.65 3gnn h PHE 200 N 0.49 1.07 -0.86 0.00 -0.00 -0.51 -1.86 116.94 115.28 3gnn h PHE 200 Ca 0.13 0.03 0.07 0.00 -0.00 0.00 0.00 57.97 58.20 3gnn h PHE 200 Cb -0.05 -0.35 -0.06 0.00 -0.00 0.00 0.00 35.95 35.50 3gnn h PHE 200 CO -0.05 0.48 0.53 0.00 -0.00 0.00 0.00 178.31 179.27 3gnn h ALA 201 N 1.53 1.19 -0.68 12.09 0.00 -0.42 -3.25 119.26 129.72 3gnn h ALA 201 Ca 0.45 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.46 3gnn h ALA 201 Cb 0.39 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 3gnn h ALA 201 CO -0.21 0.25 0.28 -0.07 0.00 0.00 0.00 179.25 179.50 3gnn h LEU 202 N 0.95 0.29 -2.50 0.00 4.07 -1.09 -3.52 115.31 113.51 3gnn h LEU 202 Ca 0.38 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.43 3gnn h LEU 202 Cb 0.20 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 3gnn h LEU 202 CO -0.18 0.15 -1.02 0.59 -1.08 0.00 0.00 178.44 176.89 3gnn n ASN 203 N -4.97 -6.48 0.03 -0.43 4.13 -1.23 -5.16 115.26 101.15 3gnn n ASN 203 Ca 0.11 1.14 0.00 0.00 1.68 0.00 0.00 54.58 57.51 3gnn n ASN 203 Cb 0.32 -4.14 0.00 0.00 -1.54 0.00 0.00 39.78 34.42 3gnn n ASN 203 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3gnn n VAL 206 N 1.14 0.13 -2.53 2.41 0.31 -1.26 -5.19 118.33 113.34 3gnn n VAL 206 Ca -0.07 0.04 -0.41 0.00 -0.01 0.00 0.00 64.34 63.90 3gnn n VAL 206 Cb 0.23 -0.52 -0.04 0.00 -0.91 0.00 0.00 33.84 32.60 3gnn n VAL 206 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3gnn s PRO 207 N -1.30 4.55 -0.16 5.55 0.05 -1.26 -5.02 135.00 137.42 3gnn s PRO 207 Ca 0.00 1.68 -0.01 0.00 0.05 0.00 0.00 61.00 62.72 3gnn s PRO 207 Cb 0.00 -3.32 0.04 0.00 0.05 0.00 0.00 34.50 31.27 3gnn s PRO 207 CO 0.00 -0.02 -0.04 0.54 0.05 0.00 0.00 177.00 177.53 3gnn s VAL 208 N 0.26 1.01 -0.06 -0.36 0.11 -1.26 -5.13 120.40 114.97 3gnn s VAL 208 Ca 0.52 -0.54 -0.11 0.00 -2.93 0.00 0.00 61.98 58.92 3gnn s VAL 208 Cb -0.28 -1.19 -0.05 0.00 -1.53 0.00 0.00 36.38 33.33 3gnn s VAL 208 CO 0.32 0.14 0.28 -1.58 -3.33 0.00 0.00 175.10 170.93 3gnn s GLN 209 N 1.68 3.70 -0.05 1.54 0.74 -1.26 -4.33 119.66 121.68 3gnn s GLN 209 Ca 0.01 0.15 0.05 0.00 0.05 0.00 0.00 55.36 55.62 3gnn s GLN 209 Cb -0.15 -3.21 -0.01 0.00 1.10 0.00 0.00 33.01 30.74 3gnn s GLN 209 CO -0.08 0.72 -0.20 -1.50 -0.55 0.00 0.00 175.29 173.69 3gnn s ILE 210 N -1.01 1.63 -0.21 -2.34 2.07 -1.10 -4.96 121.20 115.27 3gnn s ILE 210 Ca 0.19 -0.83 -0.18 0.00 -1.41 0.00 0.00 60.65 58.43 3gnn s ILE 210 Cb -0.14 -1.39 -0.03 0.00 0.13 0.00 0.00 42.46 41.03 3gnn s ILE 210 CO 0.09 0.46 0.50 -0.70 -1.91 0.00 0.00 174.94 173.38 3gnn s GLU 211 N -0.02 4.17 0.27 3.50 2.12 -1.26 -0.16 118.70 127.31 3gnn s GLU 211 Ca -0.04 0.37 0.12 0.00 0.36 0.00 0.00 54.97 55.78 3gnn s GLU 211 Cb -0.12 -3.57 -0.05 0.00 0.26 0.00 0.00 34.13 30.64 3gnn s GLU 211 CO 0.03 -0.17 -0.20 0.14 -0.54 0.00 0.00 175.26 174.52 3gnn s VAL 212 N 1.71 2.43 0.00 3.70 -7.23 0.28 -4.95 120.40 116.34 3gnn s VAL 212 Ca 0.23 -2.36 0.00 0.00 -1.81 0.00 0.00 61.98 58.04 3gnn s VAL 212 Cb -0.15 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.52 3gnn s VAL 212 CO 0.09 -0.38 0.00 1.21 -0.31 0.00 0.00 175.10 175.71 3gnn n GLU 213 N -0.52 6.34 -4.17 4.82 2.13 -1.26 -1.67 120.64 126.31 3gnn n GLU 213 Ca -0.06 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.65 3gnn n GLU 213 Cb 0.60 -0.55 -0.10 0.00 0.27 0.00 0.00 31.44 31.66 3gnn n GLU 213 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3gnn s THR 214 N -1.09 0.39 0.13 6.31 -4.23 -1.26 -4.86 115.64 111.03 3gnn s THR 214 Ca 0.00 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 3gnn s THR 214 Cb 0.00 -1.94 -0.20 0.00 1.34 0.00 0.00 72.50 71.71 3gnn s THR 214 CO 0.00 -0.61 1.30 -0.07 -0.54 0.00 0.00 174.62 174.70 3gnn h LEU 215 N 2.87 0.27 -0.32 4.79 3.38 -1.98 -1.17 115.31 123.15 3gnn h LEU 215 Ca -0.35 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.43 3gnn h LEU 215 Cb 1.19 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.79 3gnn h LEU 215 CO 0.62 1.11 -0.08 -0.78 0.09 0.00 0.00 178.44 179.40 3gnn h ASP 216 N 0.09 -0.31 -0.75 -0.43 3.58 -1.99 0.61 116.42 117.22 3gnn h ASP 216 Ca -0.06 0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.44 3gnn h ASP 216 Cb 1.67 0.20 -0.03 0.00 1.72 0.00 0.00 39.33 42.89 3gnn h ASP 216 CO 0.15 -0.11 0.29 1.56 -2.88 0.00 0.00 179.24 178.25 3gnn h GLN 217 N -0.00 1.14 0.19 0.28 4.20 -1.93 -2.04 115.11 116.94 3gnn h GLN 217 Ca 0.15 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3gnn h GLN 217 Cb 0.24 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3gnn h GLN 217 CO -0.33 0.94 -0.09 1.25 -0.67 0.00 0.00 178.83 179.93 3gnn h LEU 218 N 1.11 -0.21 -1.00 1.46 5.85 -0.32 -0.66 115.31 121.54 3gnn h LEU 218 Ca 0.25 -0.08 0.14 0.00 0.84 0.00 0.00 57.88 59.03 3gnn h LEU 218 Cb 0.23 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.23 3gnn h LEU 218 CO -0.02 -0.05 0.63 0.03 -0.34 0.00 0.00 178.44 178.69 3gnn h ARG 219 N -0.36 0.91 -0.21 1.25 3.08 0.27 0.18 114.38 119.51 3gnn h ARG 219 Ca -0.03 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 3gnn h ARG 219 Cb 0.28 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3gnn h ARG 219 CO 0.04 0.60 0.03 1.15 -1.07 0.00 0.00 179.97 180.73 3gnn h THR 220 N 0.94 1.22 0.19 2.04 2.02 -1.08 0.22 112.91 118.46 3gnn h THR 220 Ca 0.52 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 3gnn h THR 220 Cb 0.59 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 3gnn h THR 220 CO -0.30 0.23 -0.13 0.00 0.37 0.00 0.00 175.52 175.69 3gnn h ALA 221 N 0.84 -0.30 -0.27 6.16 0.00 -0.23 -1.20 119.26 124.25 3gnn h ALA 221 Ca 0.06 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3gnn h ALA 221 Cb 0.32 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3gnn h ALA 221 CO 0.00 -0.68 -0.09 -0.07 0.00 0.00 0.00 179.25 178.41 3gnn h LEU 222 N -0.32 -0.31 -0.84 0.00 3.38 -0.61 -1.80 115.31 114.80 3gnn h LEU 222 Ca -0.01 0.09 0.17 0.00 0.09 0.00 0.00 57.88 58.22 3gnn h LEU 222 Cb 0.28 0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.12 3gnn h LEU 222 CO -0.00 -0.11 0.38 0.00 0.09 0.00 0.00 178.44 178.80 3gnn h ALA 223 N 1.23 1.28 -3.00 1.53 0.00 -0.30 -3.39 119.26 116.60 3gnn h ALA 223 Ca 0.14 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3gnn h ALA 223 Cb 0.24 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3gnn h ALA 223 CO -0.30 -0.21 0.00 0.72 0.00 0.00 0.00 179.25 179.46 3gnn n HIS 224 N -4.97 0.00 -0.02 0.00 8.25 -0.48 -4.98 115.22 113.02 3gnn n HIS 224 Ca 0.18 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.48 3gnn n HIS 224 Cb 0.51 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.49 3gnn n HIS 224 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3gnn h GLY 225 N 0.00 0.15 0.00 -1.41 0.00 -1.69 -3.50 103.07 96.62 3gnn h GLY 225 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3gnn h GLY 225 CO 0.00 0.31 0.00 0.00 0.00 0.00 0.00 176.54 176.85 3gnn n ALA 226 N -2.61 0.00 0.00 3.60 0.00 -1.08 -4.94 120.51 115.49 3gnn n ALA 226 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3gnn n ALA 226 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3gnn n ALA 226 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3gnn n ARG 227 N 6.51 0.00 -4.08 0.00 0.00 -1.21 -4.80 116.66 113.07 3gnn n ARG 227 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.64 3gnn n ARG 227 Cb 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 32.46 32.29 3gnn n ARG 227 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 3gnn s SER 228 N 0.00 1.24 -0.04 2.89 0.15 -1.26 0.13 113.70 116.81 3gnn s SER 228 Ca 0.00 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.51 3gnn s SER 228 Cb 0.00 -0.50 0.03 0.00 -1.71 0.00 0.00 66.02 63.83 3gnn s SER 228 CO 0.00 -0.08 0.00 -0.69 1.20 0.00 0.00 173.24 173.67 3gnn s VAL 229 N 1.20 0.23 -0.30 4.45 1.01 0.20 -2.72 120.40 124.46 3gnn s VAL 229 Ca -0.06 0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.80 3gnn s VAL 229 Cb -0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 3gnn s VAL 229 CO -0.02 0.17 0.65 -0.22 0.00 0.00 0.00 175.10 175.69 3gnn s LEU 230 N 1.25 4.13 -0.21 3.92 2.96 0.77 -1.44 118.68 130.06 3gnn s LEU 230 Ca -0.07 0.48 -0.17 0.00 -0.22 0.00 0.00 54.13 54.15 3gnn s LEU 230 Cb -0.13 -2.85 -0.03 0.00 0.50 0.00 0.00 46.19 43.68 3gnn s LEU 230 CO -0.02 -0.48 0.47 -0.76 -1.32 0.00 0.00 176.35 174.24 3gnn s LEU 231 N 2.63 4.14 -0.35 -0.68 1.43 0.19 -0.56 118.68 125.49 3gnn s LEU 231 Ca 0.26 0.60 -0.06 0.00 -1.03 0.00 0.00 54.13 53.89 3gnn s LEU 231 Cb -0.15 -2.63 0.05 0.00 0.03 0.00 0.00 46.19 43.49 3gnn s LEU 231 CO 0.11 -0.15 0.12 -0.62 0.23 0.00 0.00 176.35 176.05 3gnn s ASP 232 N 1.15 5.34 -1.33 2.29 2.15 -0.67 -0.98 116.67 124.61 3gnn s ASP 232 Ca 0.22 -1.23 0.00 0.00 0.43 0.00 0.00 52.55 51.97 3gnn s ASP 232 Cb -0.15 -1.88 0.00 0.00 -0.30 0.00 0.00 42.92 40.59 3gnn s ASP 232 CO 0.09 -0.36 0.00 0.59 -0.17 0.00 0.00 175.17 175.32 3gnn n ASN 233 N 4.81 -4.48 -4.75 -0.34 3.02 0.12 -4.62 115.26 109.02 3gnn n ASN 233 Ca -0.12 0.14 -0.36 0.00 -0.03 0.00 0.00 54.58 54.21 3gnn n ASN 233 Cb 0.44 -3.47 0.04 0.00 -0.61 0.00 0.00 39.78 36.18 3gnn n ASN 233 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3gnn s PHE 234 N -2.63 2.36 0.70 3.10 2.99 -1.26 -5.03 117.98 118.21 3gnn s PHE 234 Ca 0.00 1.51 -0.08 0.00 0.00 0.00 0.00 56.93 58.35 3gnn s PHE 234 Cb 0.00 -3.51 0.04 0.00 0.00 0.00 0.00 43.02 39.55 3gnn s PHE 234 CO 0.00 -2.30 1.04 0.95 -0.00 0.00 0.00 175.22 174.91 3gnn s THR 235 N -1.56 2.75 0.23 0.64 -4.23 -1.26 -4.85 115.64 107.36 3gnn s THR 235 Ca 0.78 -0.01 -0.07 0.00 -1.18 0.00 0.00 61.69 61.20 3gnn s THR 235 Cb -0.31 -3.19 0.20 0.00 1.34 0.00 0.00 72.50 70.53 3gnn s THR 235 CO 0.34 -0.22 1.86 -0.07 -0.54 0.00 0.00 174.62 175.99 3gnn h LEU 236 N -0.61 0.86 -0.89 4.79 3.38 -1.99 0.10 115.31 120.96 3gnn h LEU 236 Ca -0.45 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 3gnn h LEU 236 Cb 1.29 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 3gnn h LEU 236 CO 0.62 0.58 0.26 0.44 0.09 0.00 0.00 178.44 180.43 3gnn h ASP 237 N 1.01 1.00 -0.44 -0.43 5.19 -2.00 -0.73 116.42 120.01 3gnn h ASP 237 Ca 0.34 -0.16 -0.06 0.00 -0.62 0.00 0.00 57.03 56.52 3gnn h ASP 237 Cb 0.06 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.29 3gnn h ASP 237 CO -0.13 0.90 0.02 0.24 -3.12 0.00 0.00 179.24 177.16 3gnn h MET 238 N 1.04 0.77 -0.33 3.56 2.86 -1.67 -1.36 114.93 119.81 3gnn h MET 238 Ca 0.24 -0.23 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 3gnn h MET 238 Cb 0.24 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.78 3gnn h MET 238 CO -0.02 0.82 0.06 0.52 1.06 0.00 0.00 176.91 179.35 3gnn h MET 239 N 0.62 0.16 -0.44 1.72 2.86 -0.58 0.13 114.93 119.41 3gnn h MET 239 Ca 0.13 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.82 3gnn h MET 239 Cb 0.46 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.03 3gnn h MET 239 CO 0.02 0.11 0.13 0.00 1.06 0.00 0.00 176.91 178.23 3gnn h ARG 240 N 0.17 0.28 -0.35 1.72 3.08 -1.01 -0.64 114.38 117.62 3gnn h ARG 240 Ca 0.15 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 3gnn h ARG 240 Cb 0.17 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3gnn h ARG 240 CO -0.21 0.18 -0.07 0.22 -1.07 0.00 0.00 179.97 179.02 3gnn h ASP 241 N 0.29 0.67 -0.70 7.04 3.58 -0.82 -2.43 116.42 124.05 3gnn h ASP 241 Ca 0.21 -0.36 0.14 0.00 0.42 0.00 0.00 57.03 57.44 3gnn h ASP 241 Cb 0.22 -0.18 -0.13 0.00 1.72 0.00 0.00 39.33 40.96 3gnn h ASP 241 CO -0.23 0.87 -0.18 0.00 -2.88 0.00 0.00 179.24 176.82 3gnn h ALA 242 N 0.82 0.45 0.08 -0.78 0.00 -0.47 0.25 119.26 119.62 3gnn h ALA 242 Ca 0.09 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3gnn h ALA 242 Cb 0.57 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3gnn h ALA 242 CO 0.03 -0.42 -0.04 0.28 0.00 0.00 0.00 179.25 179.10 3gnn h VAL 243 N -0.00 1.05 -0.11 0.00 2.07 -0.89 -1.16 116.25 117.20 3gnn h VAL 243 Ca 0.34 -0.47 0.04 0.00 0.82 0.00 0.00 66.70 67.43 3gnn h VAL 243 Cb 0.52 1.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3gnn h VAL 243 CO -0.73 0.12 -0.17 -0.09 0.02 0.00 0.00 177.57 176.72 3gnn h ARG 244 N -0.32 -0.22 -0.18 1.57 2.43 -1.13 -2.48 114.38 114.06 3gnn h ARG 244 Ca -0.01 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3gnn h ARG 244 Cb 0.27 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3gnn h ARG 244 CO 0.02 -0.15 -0.10 0.28 -1.51 0.00 0.00 179.97 178.52 3gnn h VAL 245 N -0.23 1.17 -0.18 0.20 2.07 -0.47 -2.64 116.25 116.17 3gnn h VAL 245 Ca 0.09 -0.74 -0.15 0.00 0.82 0.00 0.00 66.70 66.72 3gnn h VAL 245 Cb 0.36 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3gnn h VAL 245 CO -0.25 0.23 -0.52 0.74 0.02 0.00 0.00 177.57 177.80 3gnn h THR 246 N 0.26 1.32 -6.11 2.57 2.02 -0.94 -3.47 112.91 108.56 3gnn h THR 246 Ca 0.06 -1.75 -0.43 0.00 0.77 0.00 0.00 66.41 65.05 3gnn h THR 246 Cb 0.34 1.74 0.04 0.00 -1.74 0.00 0.00 68.15 68.53 3gnn h THR 246 CO 0.02 0.54 -0.79 -1.84 0.37 0.00 0.00 175.52 173.82 3gnn n GLU 247 N -3.97 -5.54 -1.00 6.66 0.00 -0.96 -1.72 120.64 114.12 3gnn n GLU 247 Ca -0.03 0.65 0.00 0.00 0.00 0.00 0.00 57.16 57.78 3gnn n GLU 247 Cb 0.58 -5.40 0.00 0.00 0.00 0.00 0.00 31.44 26.62 3gnn n GLU 247 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3gnn n GLY 248 N -1.63 0.94 0.13 -1.84 0.00 -1.26 -4.92 105.19 96.61 3gnn n GLY 248 Ca -0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.00 3gnn n GLY 248 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gnn h ARG 249 N 2.76 0.00 -2.49 1.61 3.08 -1.72 -3.46 114.38 114.16 3gnn h ARG 249 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3gnn h ARG 249 Cb 0.00 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 29.86 3gnn h ARG 249 CO 0.00 0.00 -0.03 0.00 -1.07 0.00 0.00 179.97 178.87 3gnn s ALA 250 N -3.15 -1.30 0.19 0.04 0.00 -1.26 -3.36 121.76 112.92 3gnn s ALA 250 Ca 0.09 0.85 -0.30 0.00 0.00 0.00 0.00 51.96 52.60 3gnn s ALA 250 Cb 0.11 0.04 -0.09 0.00 0.00 0.00 0.00 23.12 23.18 3gnn s ALA 250 CO 0.59 -0.32 1.30 0.08 0.00 0.00 0.00 175.76 177.41 3gnn s VAL 251 N -1.26 3.27 -0.19 0.00 1.01 0.35 -4.90 120.40 118.68 3gnn s VAL 251 Ca -0.12 1.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.88 3gnn s VAL 251 Cb -0.02 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.69 3gnn s VAL 251 CO 0.07 0.15 -0.10 -0.76 0.00 0.00 0.00 175.10 174.46 3gnn s LEU 252 N -0.04 2.65 0.10 3.92 1.43 -1.26 -0.63 118.68 124.85 3gnn s LEU 252 Ca 0.57 -0.45 0.10 0.00 -1.03 0.00 0.00 54.13 53.31 3gnn s LEU 252 Cb -0.36 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 3gnn s LEU 252 CO 0.37 0.02 -0.25 -0.70 0.23 0.00 0.00 176.35 176.02 3gnn s GLU 253 N 1.24 1.63 0.05 1.70 2.12 -0.52 -1.07 118.70 123.85 3gnn s GLU 253 Ca 0.03 -1.23 0.08 0.00 0.36 0.00 0.00 54.97 54.21 3gnn s GLU 253 Cb -0.14 -1.98 -0.03 0.00 0.26 0.00 0.00 34.13 32.24 3gnn s GLU 253 CO -0.04 0.48 -0.23 0.14 -0.54 0.00 0.00 175.26 175.07 3gnn s VAL 254 N -0.99 1.83 0.02 3.70 -7.23 -0.16 0.56 120.40 118.13 3gnn s VAL 254 Ca 0.14 -1.30 -0.01 0.00 -1.81 0.00 0.00 61.98 59.00 3gnn s VAL 254 Cb -0.10 -1.59 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 3gnn s VAL 254 CO 0.06 0.23 -0.02 -0.44 -0.31 0.00 0.00 175.10 174.62 3gnn s SER 255 N -1.28 0.26 0.00 4.85 0.01 -0.16 -1.53 113.70 115.86 3gnn s SER 255 Ca 0.09 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.79 3gnn s SER 255 Cb -0.09 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.26 3gnn s SER 255 CO 0.02 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.93 3gnn n GLY 256 N 1.34 1.86 2.00 3.44 0.00 -1.26 0.11 105.19 112.68 3gnn n GLY 256 Ca -0.22 -1.51 -0.00 0.00 0.00 0.00 0.00 46.02 44.28 3gnn n GLY 256 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gnn n GLY 257 N 2.14 0.50 3.59 -0.02 0.00 -1.26 -4.62 105.19 105.52 3gnn n GLY 257 Ca 0.00 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3gnn n GLY 257 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gnn s VAL 258 N -2.00 5.15 0.35 1.61 1.01 -1.26 -4.76 120.40 120.50 3gnn s VAL 258 Ca 0.00 0.48 -0.10 0.00 0.00 0.00 0.00 61.98 62.36 3gnn s VAL 258 Cb 0.00 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.64 3gnn s VAL 258 CO 0.00 0.06 0.62 0.54 0.00 0.00 0.00 175.10 176.32 3gnn s ASN 259 N 1.66 0.40 0.35 3.32 2.20 -1.26 -4.91 114.94 116.70 3gnn s ASN 259 Ca 0.15 -1.25 0.11 0.00 -0.94 0.00 0.00 52.86 50.93 3gnn s ASN 259 Cb -0.16 0.74 0.88 0.00 -2.00 0.00 0.00 41.25 40.70 3gnn s ASN 259 CO 0.11 -1.45 1.82 -0.26 -2.94 0.00 0.00 177.10 174.38 3gnn h PHE 260 N 2.07 0.83 -0.19 1.54 0.04 -1.99 0.73 116.94 119.98 3gnn h PHE 260 Ca -0.29 0.03 -0.17 0.00 2.80 0.00 0.00 57.97 60.33 3gnn h PHE 260 Cb 1.25 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 39.14 3gnn h PHE 260 CO 1.29 0.22 -0.58 -0.44 -0.60 0.00 0.00 178.31 178.21 3gnn h ASP 261 N 0.63 0.67 0.40 2.17 5.19 -1.97 -3.34 116.42 120.18 3gnn h ASP 261 Ca 0.52 -0.37 -0.13 0.00 -0.62 0.00 0.00 57.03 56.43 3gnn h ASP 261 Cb 0.97 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.26 3gnn h ASP 261 CO -0.27 1.10 -1.71 0.35 -3.12 0.00 0.00 179.24 175.59 3gnn n THR 262 N -3.95 0.78 -0.03 0.35 -2.24 -0.41 -4.60 114.28 104.17 3gnn n THR 262 Ca -0.04 -0.64 0.01 0.00 -2.27 0.00 0.00 64.05 61.11 3gnn n THR 262 Cb 0.62 -0.40 0.33 0.00 -2.10 0.00 0.00 70.33 68.78 3gnn n THR 262 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3gnn h VAL 263 N 0.00 1.17 0.12 2.28 3.04 -1.03 -2.77 116.25 119.05 3gnn h VAL 263 Ca -0.16 -0.54 -0.01 0.00 -1.01 0.00 0.00 66.70 64.98 3gnn h VAL 263 Cb 1.44 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 3gnn h VAL 263 CO 0.02 0.21 -0.06 -0.09 -1.01 0.00 0.00 177.57 176.64 3gnn h ARG 264 N 0.59 -0.15 -0.47 4.17 2.43 -1.80 -1.44 114.38 117.71 3gnn h ARG 264 Ca 0.14 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.42 3gnn h ARG 264 Cb 0.15 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.65 3gnn h ARG 264 CO -0.01 0.07 -0.10 0.00 -1.51 0.00 0.00 179.97 178.42 3gnn h ALA 265 N 0.49 0.33 -0.67 2.80 0.00 -1.80 0.74 119.26 121.15 3gnn h ALA 265 Ca -0.02 0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.13 3gnn h ALA 265 Cb 0.29 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 3gnn h ALA 265 CO 0.03 -0.44 0.37 0.82 0.00 0.00 0.00 179.25 180.03 3gnn h ILE 266 N 0.02 0.96 -0.33 0.00 2.04 -1.44 0.01 117.51 118.77 3gnn h ILE 266 Ca 0.23 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.78 3gnn h ILE 266 Cb 0.35 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3gnn h ILE 266 CO -0.47 0.12 -0.13 0.00 0.00 0.00 0.00 178.15 177.68 3gnn h ALA 267 N 1.35 1.17 0.00 1.87 0.00 -0.28 -3.06 119.26 120.31 3gnn h ALA 267 Ca 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gnn h ALA 267 Cb 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3gnn h ALA 267 CO -0.19 0.53 0.00 0.93 0.00 0.00 0.00 179.25 180.52 3gnn h GLU 268 N 0.52 0.00 0.00 0.00 5.08 0.94 -2.36 114.58 118.76 3gnn h GLU 268 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3gnn h GLU 268 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3gnn h GLU 268 CO 0.03 0.00 0.57 1.15 -1.00 0.00 0.00 179.01 179.76 3gnn h THR 269 N 0.00 0.00 0.00 1.13 2.02 -1.10 -3.45 112.91 111.50 3gnn h THR 269 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3gnn h THR 269 Cb 0.89 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3gnn h THR 269 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 3gnn n GLY 270 N -1.31 0.82 3.69 2.16 0.00 -0.89 -4.56 105.19 105.11 3gnn n GLY 270 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3gnn n GLY 270 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gnn s VAL 271 N -2.43 2.21 -0.06 1.61 -7.23 -1.26 -4.90 120.40 108.34 3gnn s VAL 271 Ca 0.00 0.07 0.13 0.00 -1.81 0.00 0.00 61.98 60.37 3gnn s VAL 271 Cb 0.00 -2.15 -0.21 0.00 0.56 0.00 0.00 36.38 34.58 3gnn s VAL 271 CO 0.00 -0.09 0.71 0.44 -0.31 0.00 0.00 175.10 175.85 3gnn h ASP 272 N -1.78 0.00 -3.82 4.85 3.32 -1.40 -3.35 116.42 114.24 3gnn h ASP 272 Ca -0.43 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.47 3gnn h ASP 272 Cb 1.26 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.56 3gnn h ASP 272 CO 0.43 0.90 -0.37 -0.13 -1.72 0.00 0.00 179.24 178.35 3gnn s ARG 273 N -2.67 0.34 -0.22 3.56 0.52 -0.96 -1.71 118.95 117.81 3gnn s ARG 273 Ca -0.04 0.41 0.02 0.00 -0.52 0.00 0.00 55.73 55.60 3gnn s ARG 273 Cb 0.08 0.16 0.04 0.00 0.52 0.00 0.00 34.95 35.75 3gnn s ARG 273 CO 0.82 -0.04 -0.14 0.42 0.02 0.00 0.00 175.30 176.38 3gnn s ILE 274 N 0.19 2.03 -0.12 1.52 1.01 -0.53 -0.98 121.20 124.31 3gnn s ILE 274 Ca -0.00 -1.29 -0.26 0.00 0.00 0.00 0.00 60.65 59.10 3gnn s ILE 274 Cb -0.02 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.39 3gnn s ILE 274 CO 0.00 0.19 0.83 -0.94 0.00 0.00 0.00 174.94 175.02 3gnn s SER 275 N 1.22 7.02 -0.31 3.58 1.04 -0.58 -1.47 113.70 124.20 3gnn s SER 275 Ca -0.03 1.25 -0.08 0.00 0.48 0.00 0.00 55.95 57.58 3gnn s SER 275 Cb -0.17 -2.46 0.02 0.00 0.10 0.00 0.00 66.02 63.50 3gnn s SER 275 CO -0.08 -0.32 0.11 -0.63 0.98 0.00 0.00 173.24 173.30 3gnn s ILE 276 N 1.71 4.08 0.25 -1.02 -1.09 -1.03 -4.59 121.20 119.50 3gnn s ILE 276 Ca 0.40 -0.77 -0.05 0.00 -2.23 0.00 0.00 60.65 58.01 3gnn s ILE 276 Cb -0.17 -3.16 0.17 0.00 -1.58 0.00 0.00 42.46 37.72 3gnn s ILE 276 CO 0.16 -0.01 1.82 1.23 -1.23 0.00 0.00 174.94 176.90 3gnn h GLY 277 N 8.27 1.14 2.00 6.18 0.00 -1.91 -3.04 103.07 115.71 3gnn h GLY 277 Ca -0.29 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.43 3gnn h GLY 277 CO 0.61 0.57 0.00 0.00 0.00 0.00 0.00 176.54 177.73 3gnn n ALA 278 N -2.44 1.07 0.27 3.60 0.00 -1.26 -2.26 120.51 119.49 3gnn n ALA 278 Ca 0.06 0.15 0.16 0.00 0.00 0.00 0.00 53.44 53.81 3gnn n ALA 278 Cb 0.18 -1.24 0.89 0.00 0.00 0.00 0.00 19.45 19.28 3gnn n ALA 278 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3gnn h LEU 279 N 0.00 0.00 -2.15 0.00 3.38 -1.86 -2.73 115.31 111.94 3gnn h LEU 279 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3gnn h LEU 279 Cb 0.02 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.68 3gnn h LEU 279 CO 0.00 0.00 -0.58 0.35 0.09 0.00 0.00 178.44 178.30 3gnn n THR 280 N -3.82 0.00 -0.41 0.22 -2.24 -0.96 -4.79 114.28 102.29 3gnn n THR 280 Ca -0.02 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3gnn n THR 280 Cb 0.16 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 3gnn n THR 280 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3gnn n LYS 281 N 0.11 0.58 -3.06 -0.78 4.01 -1.15 -4.27 118.16 113.61 3gnn n LYS 281 Ca 0.01 -0.05 -0.17 0.00 -0.51 0.00 0.00 58.31 57.59 3gnn n LYS 281 Cb 0.79 -0.36 -0.01 0.00 -0.51 0.00 0.00 35.03 34.94 3gnn n LYS 281 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 3gnn n ASP 282 N -0.10 -0.30 -4.74 4.39 2.03 -1.04 -4.97 116.55 111.83 3gnn n ASP 282 Ca 0.00 -3.12 -0.41 0.00 0.52 0.00 0.00 54.79 51.78 3gnn n ASP 282 Cb 0.10 0.12 -0.04 0.00 -0.72 0.00 0.00 41.12 40.59 3gnn n ASP 282 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3gnn s VAL 283 N -1.33 3.65 -0.14 5.18 1.01 -1.26 -4.86 120.40 122.65 3gnn s VAL 283 Ca 0.35 1.39 -0.03 0.00 0.00 0.00 0.00 61.98 63.68 3gnn s VAL 283 Cb 0.29 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 3gnn s VAL 283 CO -0.09 0.22 -0.03 -0.60 0.00 0.00 0.00 175.10 174.60 3gnn s ARG 284 N -0.23 3.55 0.30 2.72 3.52 -1.26 -5.12 118.95 122.44 3gnn s ARG 284 Ca 0.52 -0.49 -0.29 0.00 -0.13 0.00 0.00 55.73 55.34 3gnn s ARG 284 Cb -0.32 -2.90 -0.10 0.00 -1.56 0.00 0.00 34.95 30.07 3gnn s ARG 284 CO 0.36 0.33 1.22 0.00 -0.81 0.00 0.00 175.30 176.40 3gnn s ALA 285 N 0.13 3.46 0.32 6.12 0.00 -1.26 -4.36 121.76 126.16 3gnn s ALA 285 Ca -0.00 1.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.78 3gnn s ALA 285 Cb -0.13 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 3gnn s ALA 285 CO 0.03 -0.44 1.31 0.99 0.00 0.00 0.00 175.76 177.65 3gnn s THR 286 N -1.08 2.75 -0.70 0.00 2.01 -0.42 -4.88 115.64 113.31 3gnn s THR 286 Ca 0.48 0.74 -0.27 0.00 0.31 0.00 0.00 61.69 62.95 3gnn s THR 286 Cb -0.36 -3.47 0.03 0.00 0.01 0.00 0.00 72.50 68.71 3gnn s THR 286 CO 0.47 0.17 1.23 -0.62 -0.69 0.00 0.00 174.62 175.18 3gnn s ASP 287 N -0.37 6.21 0.22 3.53 2.15 -1.26 -4.56 116.67 122.58 3gnn s ASP 287 Ca 0.50 -0.43 0.08 0.00 0.43 0.00 0.00 52.55 53.14 3gnn s ASP 287 Cb -0.40 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.64 3gnn s ASP 287 CO 0.51 -1.73 0.02 -0.31 -0.17 0.00 0.00 175.17 173.49 3gnn s TYR 288 N 5.41 2.82 0.09 -5.34 2.02 -1.26 -0.37 117.35 120.71 3gnn s TYR 288 Ca 0.35 -0.17 -0.00 0.00 -0.37 0.00 0.00 57.07 56.88 3gnn s TYR 288 Cb -0.09 -1.31 -0.04 0.00 -0.40 0.00 0.00 41.96 40.12 3gnn s TYR 288 CO 0.16 0.56 -0.02 -1.54 -1.57 0.00 0.00 175.55 173.14 3gnn s SER 289 N -3.31 0.64 -0.11 2.29 1.04 0.23 -4.94 113.70 109.53 3gnn s SER 289 Ca 0.29 -1.06 -0.03 0.00 0.48 0.00 0.00 55.95 55.63 3gnn s SER 289 Cb -0.08 0.19 0.05 0.00 0.10 0.00 0.00 66.02 66.28 3gnn s SER 289 CO 0.20 -0.60 0.06 -0.32 0.98 0.00 0.00 173.24 173.56 3gnn s MET 290 N -3.93 0.17 0.24 4.02 1.75 -1.26 0.14 119.30 120.43 3gnn s MET 290 Ca 0.13 0.06 0.11 0.00 -1.25 0.00 0.00 55.69 54.74 3gnn s MET 290 Cb 0.07 -1.29 -0.05 0.00 2.84 0.00 0.00 34.83 36.40 3gnn s MET 290 CO -0.05 -0.50 -0.16 1.03 -0.65 0.00 0.00 175.02 174.69 3gnn s ARG 291 N 2.09 1.79 0.16 4.11 1.81 -1.03 -4.97 118.95 122.91 3gnn s ARG 291 Ca 0.03 -1.59 -0.18 0.00 -1.72 0.00 0.00 55.73 52.27 3gnn s ARG 291 Cb -0.14 -1.90 -0.07 0.00 -0.45 0.00 0.00 34.95 32.38 3gnn s ARG 291 CO -0.06 0.37 0.63 0.42 -0.68 0.00 0.00 175.30 175.97 3gnn s ILE 292 N -2.17 4.69 -0.25 1.52 1.01 -1.26 -1.42 121.20 123.31 3gnn s ILE 292 Ca 0.27 1.14 0.00 0.00 0.00 0.00 0.00 60.65 62.07 3gnn s ILE 292 Cb -0.06 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.56 3gnn s ILE 292 CO 0.15 0.33 0.06 0.55 0.00 0.00 0.00 174.94 176.03