#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1why n SER 75 N 0.00 7.11 -3.23 1.61 7.64 -1.26 -4.91 113.62 120.59 1why n SER 75 Ca 0.00 -3.47 -0.16 0.00 1.01 0.00 0.00 58.87 56.25 1why n SER 75 Cb 0.00 -1.05 -0.05 0.00 -1.01 0.00 0.00 64.21 62.10 1why n SER 75 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1why s SER 76 N -0.77 1.10 0.02 6.43 1.04 -1.26 -5.19 113.70 115.08 1why s SER 76 Ca 0.51 -1.56 -0.28 0.00 0.48 0.00 0.00 55.95 55.10 1why s SER 76 Cb 0.39 0.65 0.10 0.00 0.10 0.00 0.00 66.02 67.26 1why s SER 76 CO -0.08 -1.27 1.24 -0.83 0.98 0.00 0.00 173.24 173.28 1why s GLY 77 N -3.27 -0.20 0.28 7.32 0.00 -1.26 -5.19 107.32 105.00 1why s GLY 77 Ca 0.33 0.21 -0.18 0.00 0.00 0.00 0.00 44.72 45.07 1why s GLY 77 CO 0.22 3.10 0.65 -1.35 0.00 0.00 0.00 173.10 175.72 1why s SER 78 N -3.44 -0.19 0.12 1.64 1.04 -1.26 -5.18 113.70 106.43 1why s SER 78 Ca 0.23 -0.73 0.05 0.00 0.48 0.00 0.00 55.95 55.97 1why s SER 78 Cb 0.01 0.70 -0.04 0.00 0.10 0.00 0.00 66.02 66.79 1why s SER 78 CO -0.01 -1.31 -0.13 -0.44 0.98 0.00 0.00 173.24 172.34 1why s SER 79 N -2.96 1.86 0.00 7.02 0.01 -1.26 -5.13 113.70 113.24 1why s SER 79 Ca 0.15 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1why s SER 79 Cb -0.04 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1why s SER 79 CO 0.08 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1why n GLY 80 N 0.40 2.50 3.24 3.44 0.00 -1.26 -5.17 105.19 108.34 1why n GLY 80 Ca -0.15 0.29 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 1why n GLY 80 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1why s LYS 81 N -0.04 0.33 -0.10 1.61 2.47 -1.26 -5.03 119.74 117.73 1why s LYS 81 Ca 0.00 0.89 0.19 0.00 -1.56 0.00 0.00 55.97 55.48 1why s LYS 81 Cb 0.00 0.13 -0.25 0.00 -1.46 0.00 0.00 37.83 36.25 1why s LYS 81 CO 0.00 -0.21 0.35 1.51 0.16 0.00 0.00 175.35 177.16 1why n ILE 82 N 4.86 0.98 -0.91 5.43 0.13 -1.26 -5.10 119.36 123.49 1why n ILE 82 Ca -0.15 -0.73 0.12 0.00 -1.10 0.00 0.00 62.75 60.88 1why n ILE 82 Cb 0.52 -0.41 -0.05 0.00 -0.84 0.00 0.00 39.64 38.86 1why n ILE 82 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1why n GLY 83 N 1.54 -2.56 3.00 4.50 0.00 -1.26 -5.00 105.19 105.41 1why n GLY 83 Ca -0.20 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.46 1why n GLY 83 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1why s TYR 84 N -3.03 -0.11 0.00 1.61 2.02 -1.26 -5.16 117.35 111.42 1why s TYR 84 Ca 0.00 0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.97 1why s TYR 84 Cb 0.00 0.03 0.00 0.00 -0.40 0.00 0.00 41.96 41.59 1why s TYR 84 CO 0.00 -0.07 0.00 0.41 -1.57 0.00 0.00 175.55 174.32 1why n GLY 85 N 2.92 4.66 3.64 0.71 0.00 -1.26 -5.17 105.19 110.68 1why n GLY 85 Ca -0.13 -1.67 -0.08 0.00 0.00 0.00 0.00 46.02 44.13 1why n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1why s LYS 86 N 4.31 0.54 0.14 1.61 2.47 -1.26 -5.18 119.74 122.39 1why s LYS 86 Ca 0.00 0.72 0.11 0.00 -1.56 0.00 0.00 55.97 55.24 1why s LYS 86 Cb 0.00 0.23 -0.04 0.00 -1.46 0.00 0.00 37.83 36.56 1why s LYS 86 CO 0.00 -0.08 -0.26 0.00 0.16 0.00 0.00 175.35 175.18 1why s ALA 87 N 0.57 2.36 0.15 3.13 0.00 -1.26 -5.13 121.76 121.57 1why s ALA 87 Ca -0.01 -1.49 -0.18 0.00 0.00 0.00 0.00 51.96 50.29 1why s ALA 87 Cb -0.05 -0.35 -0.07 0.00 0.00 0.00 0.00 23.12 22.65 1why s ALA 87 CO -0.08 0.49 0.61 -0.80 0.00 0.00 0.00 175.76 175.99 1why s ASN 88 N -2.20 6.99 0.64 0.00 -0.87 -1.26 -5.05 114.94 113.19 1why s ASN 88 Ca 0.15 1.26 -0.15 0.00 -1.57 0.00 0.00 52.86 52.54 1why s ASN 88 Cb -0.09 -2.36 -0.01 0.00 -0.02 0.00 0.00 41.25 38.77 1why s ASN 88 CO 0.07 0.14 1.11 -2.16 -2.57 0.00 0.00 177.10 173.69 1why s PRO 89 N -1.67 2.87 0.03 -0.60 0.04 -1.26 -4.71 135.00 129.70 1why s PRO 89 Ca 0.36 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 1why s PRO 89 Cb -0.17 -1.96 0.10 0.00 0.04 0.00 0.00 34.50 32.51 1why s PRO 89 CO 0.20 -1.20 1.11 -0.08 0.04 0.00 0.00 177.00 177.07 1why s THR 90 N -2.27 0.00 -0.12 1.26 -1.32 -1.26 -5.02 115.64 106.91 1why s THR 90 Ca 0.68 -0.34 0.01 0.00 -1.21 0.00 0.00 61.69 60.83 1why s THR 90 Cb -0.21 -1.76 0.16 0.00 -1.51 0.00 0.00 72.50 69.18 1why s THR 90 CO 0.40 0.00 1.33 0.35 -2.21 0.00 0.00 174.62 174.49 1why n THR 91 N -0.41 1.67 -3.64 5.08 -2.24 -1.26 -4.64 114.28 108.83 1why n THR 91 Ca -0.07 -0.57 -0.25 0.00 -2.27 0.00 0.00 64.05 60.90 1why n THR 91 Cb 0.61 -0.94 -0.17 0.00 -2.10 0.00 0.00 70.33 67.73 1why n THR 91 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1why s ARG 92 N -0.85 0.14 -0.12 -0.78 3.52 -1.26 -2.49 118.95 117.11 1why s ARG 92 Ca 0.15 -0.04 -0.03 0.00 -0.13 0.00 0.00 55.73 55.67 1why s ARG 92 Cb 0.12 -1.61 -0.03 0.00 -1.56 0.00 0.00 34.95 31.87 1why s ARG 92 CO 0.02 -0.59 0.00 -0.51 -0.81 0.00 0.00 175.30 173.41 1why s LEU 93 N 2.10 3.52 -0.31 -0.88 1.43 -0.90 -3.15 118.68 120.49 1why s LEU 93 Ca 0.02 0.05 -0.13 0.00 -1.03 0.00 0.00 54.13 53.04 1why s LEU 93 Cb -0.15 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1why s LEU 93 CO -0.08 0.28 0.28 0.86 0.23 0.00 0.00 176.35 177.92 1why s TRP 94 N -0.27 3.22 -0.25 0.29 -0.00 -1.01 -1.77 118.94 119.15 1why s TRP 94 Ca 0.06 0.02 -0.04 0.00 -0.00 0.00 0.00 56.10 56.14 1why s TRP 94 Cb -0.12 -2.52 0.01 0.00 -0.00 0.00 0.00 33.47 30.83 1why s TRP 94 CO 0.02 -0.31 -0.02 0.08 -0.00 0.00 0.00 176.95 176.72 1why s VAL 95 N 1.87 3.34 0.40 5.86 1.01 0.56 -2.61 120.40 130.84 1why s VAL 95 Ca 0.09 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.40 1why s VAL 95 Cb -0.17 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 1why s VAL 95 CO 0.11 0.25 0.18 -0.83 0.00 0.00 0.00 175.10 174.81 1why s GLY 96 N 1.43 2.24 0.00 4.51 0.00 -0.99 -0.86 107.32 113.65 1why s GLY 96 Ca 0.03 -2.04 0.00 0.00 0.00 0.00 0.00 44.72 42.71 1why s GLY 96 CO -0.02 -1.87 0.00 0.61 0.00 0.00 0.00 173.10 171.82 1why n GLY 97 N -1.24 0.99 3.78 0.20 0.00 -1.20 -3.55 105.19 104.17 1why n GLY 97 Ca -0.01 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 1why n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1why s LEU 98 N -0.50 4.06 0.00 0.99 1.43 -1.24 -5.00 118.68 118.43 1why s LEU 98 Ca 0.00 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1why s LEU 98 Cb 0.00 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.24 1why s LEU 98 CO 0.00 0.36 0.02 0.61 0.23 0.00 0.00 176.35 177.57 1why n GLY 99 N 2.27 3.76 0.05 -3.19 0.00 -1.26 -4.80 105.19 102.01 1why n GLY 99 Ca -0.19 -2.21 0.09 0.00 0.00 0.00 0.00 46.02 43.71 1why n GLY 99 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1why n PRO 100 N -0.31 0.08 -0.08 1.61 -0.04 -1.26 -3.13 135.00 131.87 1why n PRO 100 Ca -0.02 0.33 -0.16 0.00 -0.04 0.00 0.00 63.50 63.61 1why n PRO 100 Cb 0.07 -1.65 -0.13 0.00 -0.04 0.00 0.00 33.50 31.75 1why n PRO 100 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1why h ASN 101 N 0.00 0.01 -4.12 3.54 2.35 -2.02 -3.46 115.58 111.87 1why h ASN 101 Ca 0.00 -0.86 -0.51 0.00 -0.55 0.00 0.00 56.30 54.38 1why h ASN 101 Cb 0.29 -0.00 0.09 0.00 0.05 0.00 0.00 38.32 38.75 1why h ASN 101 CO 0.00 1.15 0.43 -0.89 -1.65 0.00 0.00 177.43 176.46 1why s THR 102 N -2.26 3.00 0.28 2.81 2.01 -1.18 -5.06 115.64 115.24 1why s THR 102 Ca -0.22 0.58 0.03 0.00 0.31 0.00 0.00 61.69 62.39 1why s THR 102 Cb -0.00 -3.18 -0.06 0.00 0.01 0.00 0.00 72.50 69.27 1why s THR 102 CO 0.66 -0.18 0.07 -0.55 -0.69 0.00 0.00 174.62 173.93 1why s SER 103 N -1.93 1.75 0.12 3.53 0.15 -1.26 -4.77 113.70 111.29 1why s SER 103 Ca 0.73 -1.36 -0.21 0.00 0.70 0.00 0.00 55.95 55.81 1why s SER 103 Cb -0.25 0.04 -0.06 0.00 -1.71 0.00 0.00 66.02 64.04 1why s SER 103 CO 0.33 -0.65 1.71 0.25 1.20 0.00 0.00 173.24 176.08 1why h LEU 104 N 2.29 -0.15 0.55 3.45 6.46 -1.97 -2.86 115.31 123.09 1why h LEU 104 Ca -0.39 0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.39 1why h LEU 104 Cb 1.24 0.10 0.01 0.00 -0.73 0.00 0.00 40.66 41.27 1why h LEU 104 CO 0.65 -0.05 -0.26 0.00 -0.62 0.00 0.00 178.44 178.15 1why h ALA 105 N 1.14 -0.74 -0.87 1.25 0.00 -1.97 0.65 119.26 118.72 1why h ALA 105 Ca 0.07 -0.18 0.32 0.00 0.00 0.00 0.00 54.91 55.13 1why h ALA 105 Cb 0.11 0.29 -0.16 0.00 0.00 0.00 0.00 17.79 18.03 1why h ALA 105 CO -0.16 -0.88 0.31 0.00 0.00 0.00 0.00 179.25 178.52 1why n ALA 106 N -2.45 0.73 -0.07 0.00 0.00 -1.15 -0.23 120.51 117.34 1why n ALA 106 Ca -0.12 0.91 -0.16 0.00 0.00 0.00 0.00 53.44 54.07 1why n ALA 106 Cb 0.32 -0.81 -0.13 0.00 0.00 0.00 0.00 19.45 18.82 1why n ALA 106 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1why h LEU 107 N 0.00 0.02 -0.80 0.00 3.38 -1.28 -3.28 115.31 113.35 1why h LEU 107 Ca 0.66 -0.90 0.19 0.00 0.09 0.00 0.00 57.88 57.93 1why h LEU 107 Cb 1.65 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 42.26 1why h LEU 107 CO -0.73 1.11 0.10 0.00 0.09 0.00 0.00 178.44 179.02 1why h ALA 108 N -0.10 0.97 0.36 1.53 0.00 0.18 0.12 119.26 122.33 1why h ALA 108 Ca -0.08 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1why h ALA 108 Cb 1.09 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1why h ALA 108 CO -0.04 -0.43 -0.31 -0.09 0.00 0.00 0.00 179.25 178.39 1why h ARG 109 N 0.16 -0.66 0.41 0.00 2.43 -0.79 0.31 114.38 116.24 1why h ARG 109 Ca 0.46 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.67 1why h ARG 109 Cb 0.85 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 1why h ARG 109 CO -0.65 -0.44 -0.45 0.93 -1.51 0.00 0.00 179.97 177.85 1why h GLU 110 N -0.68 -0.83 -0.48 0.20 4.39 -1.26 -2.80 114.58 113.11 1why h GLU 110 Ca -0.03 0.06 0.10 0.00 0.34 0.00 0.00 59.36 59.83 1why h GLU 110 Cb 0.60 0.19 -0.08 0.00 -0.10 0.00 0.00 28.75 29.36 1why h GLU 110 CO -0.03 -0.56 -0.05 0.74 -1.16 0.00 0.00 179.01 177.95 1why h PHE 111 N -0.87 -0.13 -0.92 4.33 0.04 -1.00 -0.80 116.94 117.60 1why h PHE 111 Ca -0.05 0.04 0.38 0.00 2.80 0.00 0.00 57.97 61.14 1why h PHE 111 Cb 0.76 0.13 -0.17 0.00 2.20 0.00 0.00 35.95 38.88 1why h PHE 111 CO -0.26 -0.15 0.48 -3.47 -0.60 0.00 0.00 178.31 174.31 1why n ASP 112 N -5.28 0.31 -0.30 2.17 -0.08 0.11 -0.63 116.55 112.84 1why n ASP 112 Ca 0.05 1.53 -0.02 0.00 -1.51 0.00 0.00 54.79 54.83 1why n ASP 112 Cb 0.26 -0.74 0.01 0.00 2.34 0.00 0.00 41.12 42.99 1why n ASP 112 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1why n ARG 113 N -5.09 -0.21 0.21 -0.67 5.12 -0.31 -1.27 116.66 114.45 1why n ARG 113 Ca 0.34 1.18 -0.08 0.00 -1.93 0.00 0.00 57.85 57.36 1why n ARG 113 Cb 1.17 -1.74 -0.04 0.00 -1.16 0.00 0.00 32.46 30.68 1why n ARG 113 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 1why h PHE 114 N 0.00 -0.50 -2.01 -1.55 0.04 -1.07 -3.48 116.94 108.36 1why h PHE 114 Ca 0.24 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.99 1why h PHE 114 Cb 0.43 0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.75 1why h PHE 114 CO -0.70 -0.31 -0.00 0.41 -0.60 0.00 0.00 178.31 177.11 1why n GLY 115 N -1.08 3.94 3.75 -1.45 0.00 -0.39 -5.01 105.19 104.95 1why n GLY 115 Ca -0.07 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 1why n GLY 115 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1why s SER 116 N -1.01 6.96 -0.15 1.61 0.15 -1.26 -4.04 113.70 115.95 1why s SER 116 Ca 0.00 1.14 -0.11 0.00 0.70 0.00 0.00 55.95 57.68 1why s SER 116 Cb 0.00 -2.37 -0.05 0.00 -1.71 0.00 0.00 66.02 61.90 1why s SER 116 CO 0.00 0.06 0.22 -0.63 1.20 0.00 0.00 173.24 174.09 1why s ILE 117 N 0.02 5.35 -0.01 6.45 1.01 -1.26 -2.82 121.20 129.95 1why s ILE 117 Ca 0.32 0.39 -0.17 0.00 0.00 0.00 0.00 60.65 61.19 1why s ILE 117 Cb -0.18 -3.54 -0.34 0.00 0.01 0.00 0.00 42.46 38.41 1why s ILE 117 CO 0.17 0.47 0.91 -0.09 0.00 0.00 0.00 174.94 176.40 1why h ARG 118 N 6.14 0.45 -1.68 2.79 1.12 -1.31 -3.49 114.38 118.40 1why h ARG 118 Ca -0.45 -0.76 0.20 0.00 -1.11 0.00 0.00 59.98 57.86 1why h ARG 118 Cb 1.18 0.28 -0.19 0.00 -0.01 0.00 0.00 29.97 31.24 1why h ARG 118 CO 0.71 1.37 0.71 -0.08 -3.11 0.00 0.00 179.97 179.57 1why s THR 119 N -2.54 0.00 -0.01 0.20 -1.32 -1.26 -5.03 115.64 105.67 1why s THR 119 Ca -0.12 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.37 1why s THR 119 Cb 0.03 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.03 1why s THR 119 CO 0.90 0.00 -0.01 -0.63 -2.21 0.00 0.00 174.62 172.67 1why s ILE 120 N -2.44 0.13 -0.16 5.08 1.01 -1.26 -2.91 121.20 120.65 1why s ILE 120 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.61 1why s ILE 120 Cb -0.01 -0.16 -0.05 0.00 0.01 0.00 0.00 42.46 42.25 1why s ILE 120 CO -0.05 0.08 0.24 -0.62 0.00 0.00 0.00 174.94 174.58 1why s ASP 121 N 0.39 6.39 -0.20 3.58 -1.08 -1.20 -4.96 116.67 119.59 1why s ASP 121 Ca -0.03 0.46 -0.03 0.00 -0.52 0.00 0.00 52.55 52.42 1why s ASP 121 Cb -0.06 -2.15 -0.01 0.00 -1.46 0.00 0.00 42.92 39.24 1why s ASP 121 CO -0.01 0.16 -0.06 -2.28 0.52 0.00 0.00 175.17 173.50 1why s HIS 122 N 0.20 2.94 -0.08 -5.34 5.65 -1.26 -3.78 115.29 113.62 1why s HIS 122 Ca 0.14 -0.82 0.02 0.00 0.25 0.00 0.00 55.06 54.65 1why s HIS 122 Cb -0.13 -2.04 0.01 0.00 -1.18 0.00 0.00 32.58 29.25 1why s HIS 122 CO 0.03 -0.43 -0.13 0.08 -0.65 0.00 0.00 174.74 173.63 1why s VAL 123 N 1.15 1.24 -0.06 0.89 1.01 -1.20 -5.01 120.40 118.41 1why s VAL 123 Ca 0.02 -0.52 0.13 0.00 0.00 0.00 0.00 61.98 61.61 1why s VAL 123 Cb -0.14 -1.14 -0.21 0.00 0.00 0.00 0.00 36.38 34.88 1why s VAL 123 CO -0.01 0.38 0.68 2.29 0.00 0.00 0.00 175.10 178.44 1why n LYS 124 N 3.95 0.63 0.18 2.72 2.85 -1.26 -2.32 118.16 124.91 1why n LYS 124 Ca -0.21 0.28 -0.07 0.00 -1.05 0.00 0.00 58.31 57.25 1why n LYS 124 Cb 0.52 -1.79 -0.04 0.00 -0.65 0.00 0.00 35.03 33.07 1why n LYS 124 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1why h GLY 125 N 3.55 -0.51 2.00 2.58 0.00 -1.98 -3.34 103.07 105.37 1why h GLY 125 Ca -0.27 0.19 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 1why h GLY 125 CO 0.07 -0.18 -0.65 -0.55 0.00 0.00 0.00 176.54 175.22 1why h ASP 126 N -0.82 0.00 -3.34 0.19 5.19 -2.01 -3.48 116.42 112.16 1why h ASP 126 Ca -0.05 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.15 1why h ASP 126 Cb 0.37 0.00 0.06 0.00 0.18 0.00 0.00 39.33 39.95 1why h ASP 126 CO 0.08 0.65 -0.35 -1.54 -3.12 0.00 0.00 179.24 174.97 1why n SER 127 N -3.32 -4.24 -4.57 6.45 3.41 -0.98 -4.92 113.62 105.46 1why n SER 127 Ca 0.01 -0.26 -0.25 0.00 -0.26 0.00 0.00 58.87 58.11 1why n SER 127 Cb 0.77 -2.87 -0.09 0.00 -0.26 0.00 0.00 64.21 61.76 1why n SER 127 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1why s PHE 128 N -3.10 2.58 -0.03 7.33 -0.12 -1.24 -3.25 117.98 120.15 1why s PHE 128 Ca 0.28 -0.25 -0.04 0.00 -0.05 0.00 0.00 56.93 56.87 1why s PHE 128 Cb -0.12 -1.20 0.01 0.00 -0.63 0.00 0.00 43.02 41.07 1why s PHE 128 CO 0.34 0.58 0.10 0.00 -0.05 0.00 0.00 175.22 176.19 1why s ALA 129 N -2.03 -0.24 -0.17 1.99 0.00 -0.04 -3.27 121.76 117.99 1why s ALA 129 Ca 0.28 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.47 1why s ALA 129 Cb -0.07 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 22.94 1why s ALA 129 CO 0.16 -0.06 -0.16 0.71 0.00 0.00 0.00 175.76 176.41 1why s TYR 130 N -0.11 2.48 -0.18 0.00 2.02 -1.25 -0.32 117.35 120.00 1why s TYR 130 Ca -0.02 -1.48 -0.08 0.00 -0.37 0.00 0.00 57.07 55.12 1why s TYR 130 Cb -0.02 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.76 1why s TYR 130 CO 0.00 -0.74 0.07 0.42 -1.57 0.00 0.00 175.55 173.73 1why s ILE 131 N 1.38 4.91 -0.19 2.71 1.01 -0.73 -3.23 121.20 127.06 1why s ILE 131 Ca 0.04 0.01 -0.06 0.00 0.00 0.00 0.00 60.65 60.64 1why s ILE 131 Cb -0.14 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 1why s ILE 131 CO -0.11 0.46 0.02 -1.58 0.00 0.00 0.00 174.94 173.73 1why s GLN 132 N 0.32 3.75 -0.08 2.79 0.74 -1.15 -2.12 119.66 123.91 1why s GLN 132 Ca 0.04 -0.46 -0.01 0.00 0.05 0.00 0.00 55.36 54.99 1why s GLN 132 Cb -0.12 -3.12 -0.03 0.00 1.10 0.00 0.00 33.01 30.84 1why s GLN 132 CO -0.00 0.12 -0.03 0.71 -0.55 0.00 0.00 175.29 175.53 1why s TYR 133 N 0.75 3.06 0.54 1.67 2.02 -1.04 -0.75 117.35 123.60 1why s TYR 133 Ca 0.01 0.11 0.19 0.00 -0.37 0.00 0.00 57.07 57.02 1why s TYR 133 Cb -0.14 -1.76 1.40 0.00 -0.40 0.00 0.00 41.96 41.07 1why s TYR 133 CO 0.02 0.40 2.18 0.93 -1.57 0.00 0.00 175.55 177.51 1why h GLU 134 N 5.22 0.00 -6.11 -0.62 4.39 -1.88 -3.43 114.58 112.16 1why h GLU 134 Ca -0.50 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 58.65 1why h GLU 134 Cb 1.18 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.65 1why h GLU 134 CO 0.53 0.00 -0.79 -1.12 -1.16 0.00 0.00 179.01 176.47 1why s SER 135 N -6.85 2.85 -0.03 1.42 0.01 -1.26 -5.06 113.70 104.79 1why s SER 135 Ca -0.05 -0.85 -0.22 0.00 1.31 0.00 0.00 55.95 56.14 1why s SER 135 Cb 0.17 -0.18 -0.27 0.00 0.21 0.00 0.00 66.02 65.95 1why s SER 135 CO 0.64 0.01 1.00 0.25 0.41 0.00 0.00 173.24 175.55 1why h LEU 136 N 3.30 0.45 -0.10 2.44 6.46 -1.92 -3.19 115.31 122.75 1why h LEU 136 Ca -0.43 -0.85 0.04 0.00 -0.12 0.00 0.00 57.88 56.52 1why h LEU 136 Cb 1.21 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 40.93 1why h LEU 136 CO 0.49 1.25 -0.33 -0.78 -0.62 0.00 0.00 178.44 178.46 1why h ASP 137 N -0.29 -1.01 -0.55 1.25 1.82 -1.97 -1.20 116.42 114.48 1why h ASP 137 Ca -0.09 0.14 0.11 0.00 -0.39 0.00 0.00 57.03 56.79 1why h ASP 137 Cb 1.40 0.42 -0.09 0.00 0.68 0.00 0.00 39.33 41.74 1why h ASP 137 CO 0.12 -0.37 0.05 0.00 -1.61 0.00 0.00 179.24 177.43 1why h ALA 138 N 0.36 0.58 -0.33 -0.78 0.00 -1.96 -1.51 119.26 115.63 1why h ALA 138 Ca 0.09 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.20 1why h ALA 138 Cb 0.55 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1why h ALA 138 CO -0.33 -0.35 0.02 0.00 0.00 0.00 0.00 179.25 178.58 1why h ALA 139 N 1.47 0.31 -0.56 0.00 0.00 -1.35 -2.10 119.26 117.03 1why h ALA 139 Ca 0.28 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.35 1why h ALA 139 Cb 0.43 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1why h ALA 139 CO -0.42 -0.39 0.24 1.96 0.00 0.00 0.00 179.25 180.65 1why h GLN 140 N 0.11 0.44 -0.01 0.00 4.20 -0.28 0.14 115.11 119.72 1why h GLN 140 Ca 0.16 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.88 1why h GLN 140 Cb 0.21 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 1why h GLN 140 CO -0.26 0.29 -0.31 0.00 -0.67 0.00 0.00 178.83 177.89 1why h ALA 141 N 1.35 -0.43 0.00 3.87 0.00 -0.69 -2.70 119.26 120.66 1why h ALA 141 Ca 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1why h ALA 141 Cb 0.26 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1why h ALA 141 CO -0.24 -0.81 -0.00 0.00 0.00 0.00 0.00 179.25 178.20 1why h ALA 142 N 0.31 -0.00 -0.90 0.00 0.00 -1.07 -0.54 119.26 117.06 1why h ALA 142 Ca 0.07 -0.08 0.33 0.00 0.00 0.00 0.00 54.91 55.23 1why h ALA 142 Cb 0.54 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.17 1why h ALA 142 CO -0.27 -0.42 0.32 0.00 0.00 0.00 0.00 179.25 178.87 1why h ALA 144 N 1.80 0.00 -0.35 0.00 0.00 -1.28 -3.19 119.26 116.24 1why h ALA 144 Ca 0.69 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 55.36 1why h ALA 144 Cb 1.70 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 19.70 1why h ALA 144 CO -0.75 0.29 -0.50 0.87 0.00 0.00 0.00 179.25 179.16 1why h LYS 145 N -1.00 -0.40 -0.77 0.00 6.56 -0.20 0.17 116.57 120.94 1why h LYS 145 Ca 0.00 0.03 0.14 0.00 -1.06 0.00 0.00 60.65 59.76 1why h LYS 145 Cb 0.29 0.09 -0.05 0.00 -0.57 0.00 0.00 32.23 31.99 1why h LYS 145 CO 0.00 -0.26 0.51 0.52 -2.06 0.00 0.00 179.45 178.16 1why h MET 146 N -0.41 0.46 -5.45 3.15 2.86 0.24 -3.42 114.93 112.36 1why h MET 146 Ca 0.09 -0.03 -0.60 0.00 -2.06 0.00 0.00 59.70 57.10 1why h MET 146 Cb 0.61 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.11 1why h MET 146 CO -0.55 0.31 1.58 -2.13 1.06 0.00 0.00 176.91 177.17 1why n ARG 147 N -4.49 0.16 -1.46 1.72 0.63 0.61 -0.82 116.66 113.01 1why n ARG 147 Ca 0.14 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 1why n ARG 147 Cb 0.50 -1.72 0.00 0.00 0.45 0.00 0.00 32.46 31.69 1why n ARG 147 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1why n GLY 148 N 6.80 0.52 3.77 5.14 0.00 -0.65 -5.01 105.19 115.75 1why n GLY 148 Ca 0.58 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 1why n GLY 148 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1why s PHE 149 N -2.54 3.26 -2.00 1.61 5.36 0.00 -4.74 117.98 118.93 1why s PHE 149 Ca 0.00 1.56 0.06 0.00 -0.96 0.00 0.00 56.93 57.59 1why s PHE 149 Cb 0.00 -3.46 0.36 0.00 -0.34 0.00 0.00 43.02 39.58 1why s PHE 149 CO 0.00 -1.22 0.82 -0.35 -1.46 0.00 0.00 175.22 173.01 1why n PRO 150 N 0.78 0.49 -0.95 10.12 -0.04 -1.26 -3.22 135.00 140.92 1why n PRO 150 Ca 0.01 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.14 1why n PRO 150 Cb 0.44 -1.19 -0.02 0.00 -0.04 0.00 0.00 33.50 32.68 1why n PRO 150 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1why n LEU 151 N -0.69 -0.78 0.00 1.53 7.94 -1.26 -3.14 117.00 120.61 1why n LEU 151 Ca 0.05 0.76 0.00 0.00 -1.11 0.00 0.00 56.01 55.71 1why n LEU 151 Cb 0.02 -0.64 0.00 0.00 0.53 0.00 0.00 43.42 43.33 1why n LEU 151 CO 0.03 -1.96 0.00 0.61 -1.11 0.00 0.00 177.39 174.96 1why n GLY 152 N 1.32 0.76 1.19 -3.96 0.00 -1.26 -4.50 105.19 98.75 1why n GLY 152 Ca 0.12 0.52 -0.07 0.00 0.00 0.00 0.00 46.02 46.59 1why n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1why n GLY 153 N 0.00 3.64 0.10 -0.02 0.00 -1.19 -5.03 105.19 102.70 1why n GLY 153 Ca 0.00 -1.78 0.11 0.00 0.00 0.00 0.00 46.02 44.35 1why n GLY 153 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1why n PRO 154 N -0.25 0.15 -0.10 1.61 -0.04 -1.26 -3.22 135.00 131.90 1why n PRO 154 Ca 0.02 0.39 -0.22 0.00 -0.04 0.00 0.00 63.50 63.65 1why n PRO 154 Cb 0.22 -1.79 -0.12 0.00 -0.04 0.00 0.00 33.50 31.78 1why n PRO 154 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1why n ASP 155 N -2.07 1.89 -4.62 3.54 8.00 -1.26 -4.83 116.55 117.20 1why n ASP 155 Ca 0.02 0.39 -0.43 0.00 0.71 0.00 0.00 54.79 55.49 1why n ASP 155 Cb 0.21 -0.95 -0.02 0.00 -0.02 0.00 0.00 41.12 40.34 1why n ASP 155 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1why s ARG 156 N -2.39 3.79 -0.08 -1.24 1.81 -1.20 -5.00 118.95 114.64 1why s ARG 156 Ca -0.29 1.19 0.03 0.00 -1.72 0.00 0.00 55.73 54.95 1why s ARG 156 Cb 0.07 -3.94 0.01 0.00 -0.45 0.00 0.00 34.95 30.63 1why s ARG 156 CO 0.60 -1.28 -0.18 -0.98 -0.68 0.00 0.00 175.30 172.78 1why s ARG 157 N 4.47 2.33 0.44 3.54 1.70 -1.26 -4.08 118.95 126.09 1why s ARG 157 Ca 0.59 -0.64 -0.24 0.00 -0.47 0.00 0.00 55.73 54.97 1why s ARG 157 Cb -0.17 -1.83 -0.08 0.00 -0.57 0.00 0.00 34.95 32.30 1why s ARG 157 CO 0.27 0.11 1.24 -0.51 -1.08 0.00 0.00 175.30 175.33 1why s LEU 158 N 0.47 4.11 -0.38 -1.89 1.43 -1.20 -4.80 118.68 116.43 1why s LEU 158 Ca -0.16 2.51 -0.06 0.00 -1.03 0.00 0.00 54.13 55.39 1why s LEU 158 Cb -0.17 -4.06 0.07 0.00 0.03 0.00 0.00 46.19 42.06 1why s LEU 158 CO 0.06 -0.92 0.17 -0.60 0.23 0.00 0.00 176.35 175.29 1why s ARG 159 N -2.45 2.47 -0.19 1.70 6.06 -1.23 -1.64 118.95 123.66 1why s ARG 159 Ca 0.60 -1.42 -0.02 0.00 -2.50 0.00 0.00 55.73 52.39 1why s ARG 159 Cb -0.34 -3.57 -0.01 0.00 0.06 0.00 0.00 34.95 31.09 1why s ARG 159 CO 0.43 -0.84 -0.08 0.08 -2.50 0.00 0.00 175.30 172.38 1why s VAL 160 N 1.34 3.15 -0.07 7.11 1.01 -1.26 -2.35 120.40 129.34 1why s VAL 160 Ca 0.02 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 1why s VAL 160 Cb -0.21 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.79 1why s VAL 160 CO 0.01 0.46 0.18 -0.62 0.00 0.00 0.00 175.10 175.12 1why s ASP 161 N 1.20 -0.18 0.19 3.32 2.15 -1.07 -4.77 116.67 117.50 1why s ASP 161 Ca 0.02 0.35 -0.33 0.00 0.43 0.00 0.00 52.55 53.02 1why s ASP 161 Cb -0.14 0.36 -0.13 0.00 -0.30 0.00 0.00 42.92 42.70 1why s ASP 161 CO -0.03 -0.07 1.57 0.49 -0.17 0.00 0.00 175.17 176.97 1why n PHE 162 N 2.96 2.35 -4.32 -5.34 3.72 -1.26 -2.41 117.46 113.17 1why n PHE 162 Ca -0.13 0.26 -0.34 0.00 -0.05 0.00 0.00 57.45 57.20 1why n PHE 162 Cb 0.59 -2.55 -0.09 0.00 -0.94 0.00 0.00 39.48 36.49 1why n PHE 162 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1why s ALA 163 N 0.74 3.31 -0.72 4.37 0.00 -1.19 -4.90 121.76 123.36 1why s ALA 163 Ca 0.76 -0.87 -0.05 0.00 0.00 0.00 0.00 51.96 51.80 1why s ALA 163 Cb -0.64 -1.43 0.19 0.00 0.00 0.00 0.00 23.12 21.23 1why s ALA 163 CO 0.40 0.62 0.58 -1.59 0.00 0.00 0.00 175.76 175.77 1why s LYS 164 N -1.20 2.95 -0.03 0.00 0.00 -1.26 -4.85 119.74 115.34 1why s LYS 164 Ca 0.16 -2.65 -0.10 0.00 0.00 0.00 0.00 55.97 53.39 1why s LYS 164 Cb -0.11 -3.95 0.01 0.00 0.00 0.00 0.00 37.83 33.78 1why s LYS 164 CO 0.06 -1.22 0.22 0.45 0.00 0.00 0.00 175.35 174.87 1why s SER 165 N 0.91 -0.12 0.03 0.03 0.15 -1.26 -5.17 113.70 108.27 1why s SER 165 Ca 0.19 0.09 0.02 0.00 0.70 0.00 0.00 55.95 56.95 1why s SER 165 Cb -0.16 0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 64.46 1why s SER 165 CO -0.06 -0.31 -0.06 -0.83 1.20 0.00 0.00 173.24 173.18 1why s GLY 166 N -0.90 0.41 -0.74 9.45 0.00 -1.26 -5.09 107.32 109.19 1why s GLY 166 Ca -0.10 -0.65 -0.26 0.00 0.00 0.00 0.00 44.72 43.71 1why s GLY 166 CO 0.02 -0.70 1.90 2.56 0.00 0.00 0.00 173.10 176.89 1why s PRO 167 N -1.36 2.59 0.26 2.90 0.04 -1.26 -4.95 135.00 133.22 1why s PRO 167 Ca -0.10 0.21 -0.31 0.00 0.04 0.00 0.00 61.00 60.84 1why s PRO 167 Cb -0.09 -4.69 -0.13 0.00 0.04 0.00 0.00 34.50 29.63 1why s PRO 167 CO 0.00 -3.03 1.50 0.43 0.04 0.00 0.00 177.00 175.94 1why n SER 168 N 13.33 3.23 0.00 6.66 7.64 -1.26 -4.82 113.62 138.40 1why n SER 168 Ca 0.29 1.14 0.03 0.00 1.01 0.00 0.00 58.87 61.34 1why n SER 168 Cb 0.50 -1.50 0.15 0.00 -1.01 0.00 0.00 64.21 62.35 1why n SER 168 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1why n SER 169 N 2.27 0.00 0.00 6.43 3.41 -1.26 -5.35 113.62 119.11 1why n SER 169 Ca 0.11 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1why n SER 169 Cb 0.33 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1why n SER 169 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49