#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1why s SER 75 N 0.00 -0.20 0.09 1.61 1.04 -1.26 -5.19 113.70 109.79 1why s SER 75 Ca 0.00 -0.69 -0.14 0.00 0.48 0.00 0.00 55.95 55.60 1why s SER 75 Cb 0.00 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.78 1why s SER 75 CO 0.00 -1.20 0.34 -0.94 0.98 0.00 0.00 173.24 172.42 1why s SER 76 N -2.94 -0.15 0.00 7.02 1.04 -1.26 -5.07 113.70 112.34 1why s SER 76 Ca 0.15 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1why s SER 76 Cb -0.03 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1why s SER 76 CO 0.05 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.14 1why n GLY 77 N 0.11 0.70 3.65 7.32 0.00 -1.26 -5.17 105.19 110.55 1why n GLY 77 Ca -0.17 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 1why n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1why s SER 78 N -0.23 3.65 -1.32 1.61 0.01 -1.26 -4.76 113.70 111.40 1why s SER 78 Ca 0.00 -1.56 -0.13 0.00 1.31 0.00 0.00 55.95 55.57 1why s SER 78 Cb 0.00 0.24 0.13 0.00 0.21 0.00 0.00 66.02 66.60 1why s SER 78 CO 0.00 -0.75 0.33 -1.54 0.41 0.00 0.00 173.24 171.69 1why n SER 79 N -1.14 -0.83 -2.51 2.44 3.41 -1.26 -4.78 113.62 108.94 1why n SER 79 Ca -0.12 -0.92 -0.21 0.00 -0.26 0.00 0.00 58.87 57.37 1why n SER 79 Cb 0.67 -1.17 0.01 0.00 -0.26 0.00 0.00 64.21 63.46 1why n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1why n GLY 80 N -1.22 4.56 2.40 5.00 0.00 -1.26 -4.87 105.19 109.79 1why n GLY 80 Ca 0.01 -2.27 -0.32 0.00 0.00 0.00 0.00 46.02 43.44 1why n GLY 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1why n LYS 81 N -0.37 2.50 -2.67 1.61 3.00 -1.26 -4.98 118.16 115.98 1why n LYS 81 Ca 0.29 -2.90 -0.40 0.00 -0.00 0.00 0.00 58.31 55.31 1why n LYS 81 Cb 0.73 -2.14 -0.06 0.00 0.00 0.00 0.00 35.03 33.57 1why n LYS 81 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1why s ILE 82 N -4.11 3.92 0.00 3.15 -4.36 -1.26 -4.84 121.20 113.70 1why s ILE 82 Ca 0.55 1.86 0.00 0.00 -0.26 0.00 0.00 60.65 62.80 1why s ILE 82 Cb 0.43 -4.16 0.00 0.00 1.25 0.00 0.00 42.46 39.98 1why s ILE 82 CO -0.12 0.39 0.00 0.61 0.24 0.00 0.00 174.94 176.06 1why n GLY 83 N 1.24 -0.69 2.93 6.27 0.00 -1.26 -5.17 105.19 108.51 1why n GLY 83 Ca -0.01 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 1why n GLY 83 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1why s TYR 84 N 0.00 0.56 0.00 1.61 -0.85 -1.26 -5.03 117.35 112.38 1why s TYR 84 Ca 0.00 -0.12 0.00 0.00 -0.52 0.00 0.00 57.07 56.43 1why s TYR 84 Cb 0.00 -0.44 0.00 0.00 0.38 0.00 0.00 41.96 41.90 1why s TYR 84 CO 0.00 -0.08 0.00 0.41 -1.52 0.00 0.00 175.55 174.36 1why n GLY 85 N 3.41 -1.63 3.54 5.49 0.00 -1.26 -5.11 105.19 109.63 1why n GLY 85 Ca -0.19 0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 1why n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1why s LYS 86 N 0.00 3.22 -0.17 1.61 -2.85 -1.26 -4.99 119.74 115.30 1why s LYS 86 Ca 0.00 -0.28 0.01 0.00 -1.00 0.00 0.00 55.97 54.70 1why s LYS 86 Cb 0.00 -4.16 0.02 0.00 -2.06 0.00 0.00 37.83 31.62 1why s LYS 86 CO 0.00 -2.02 -0.20 0.00 0.10 0.00 0.00 175.35 173.22 1why s ALA 87 N 5.33 2.29 0.42 0.59 0.00 -1.26 -5.10 121.76 124.04 1why s ALA 87 Ca 0.34 -1.18 -0.24 0.00 0.00 0.00 0.00 51.96 50.88 1why s ALA 87 Cb -0.09 -1.14 -0.11 0.00 0.00 0.00 0.00 23.12 21.78 1why s ALA 87 CO 0.16 -0.29 0.97 0.09 0.00 0.00 0.00 175.76 176.68 1why n ASN 88 N 4.52 1.05 -4.77 0.00 4.13 -1.26 -4.92 115.26 114.01 1why n ASN 88 Ca -0.21 1.02 -0.32 0.00 1.68 0.00 0.00 54.58 56.75 1why n ASN 88 Cb 0.50 -1.33 0.07 0.00 -1.54 0.00 0.00 39.78 37.48 1why n ASN 88 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1why s PRO 89 N -1.99 2.58 -0.09 3.52 0.04 -1.26 -4.89 135.00 132.90 1why s PRO 89 Ca 0.64 1.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.67 1why s PRO 89 Cb -0.56 -1.93 0.08 0.00 0.04 0.00 0.00 34.50 32.13 1why s PRO 89 CO 0.57 -1.41 0.75 -0.08 0.04 0.00 0.00 177.00 176.86 1why s THR 90 N -2.57 0.00 0.44 1.26 -1.32 -1.26 -5.03 115.64 107.16 1why s THR 90 Ca 0.65 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.36 1why s THR 90 Cb -0.19 -1.00 0.44 0.00 -1.51 0.00 0.00 72.50 70.24 1why s THR 90 CO 0.47 0.00 1.77 0.71 -2.21 0.00 0.00 174.62 175.36 1why h THR 91 N 2.99 0.46 -3.86 5.08 1.35 -1.83 -3.40 112.91 113.69 1why h THR 91 Ca -0.25 -0.09 -0.51 0.00 -0.55 0.00 0.00 66.41 65.01 1why h THR 91 Cb 1.15 0.16 0.03 0.00 -1.73 0.00 0.00 68.15 67.76 1why h THR 91 CO 0.35 0.05 0.50 -0.60 -0.25 0.00 0.00 175.52 175.57 1why s ARG 92 N -5.34 4.43 -0.04 4.72 3.52 -1.26 -2.86 118.95 122.11 1why s ARG 92 Ca -0.08 1.86 0.00 0.00 -0.13 0.00 0.00 55.73 57.38 1why s ARG 92 Cb 0.25 -3.00 0.03 0.00 -1.56 0.00 0.00 34.95 30.66 1why s ARG 92 CO 0.80 -0.00 -0.01 -0.51 -0.81 0.00 0.00 175.30 174.77 1why s LEU 93 N -1.84 1.08 -0.11 -0.88 1.43 -0.22 -4.06 118.68 114.08 1why s LEU 93 Ca 0.49 -0.05 -0.20 0.00 -1.03 0.00 0.00 54.13 53.34 1why s LEU 93 Cb -0.32 -0.30 -0.04 0.00 0.03 0.00 0.00 46.19 45.56 1why s LEU 93 CO 0.41 -0.11 0.56 0.86 0.23 0.00 0.00 176.35 178.31 1why s TRP 94 N 1.18 3.52 -0.15 0.29 -0.00 -1.04 -1.29 118.94 121.46 1why s TRP 94 Ca -0.07 1.01 0.01 0.00 -0.00 0.00 0.00 56.10 57.05 1why s TRP 94 Cb -0.13 -2.66 0.02 0.00 -0.00 0.00 0.00 33.47 30.70 1why s TRP 94 CO -0.02 0.11 -0.17 0.08 -0.00 0.00 0.00 176.95 176.95 1why s VAL 95 N 0.79 1.79 0.14 5.86 1.01 -0.35 -2.83 120.40 126.81 1why s VAL 95 Ca 0.30 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1why s VAL 95 Cb -0.16 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1why s VAL 95 CO 0.13 0.50 -0.10 -0.83 0.00 0.00 0.00 175.10 174.80 1why s GLY 96 N 1.26 1.02 0.00 4.51 0.00 -1.17 -1.19 107.32 111.76 1why s GLY 96 Ca 0.02 -1.47 0.00 0.00 0.00 0.00 0.00 44.72 43.27 1why s GLY 96 CO -0.09 -1.57 0.00 0.61 0.00 0.00 0.00 173.10 172.05 1why n GLY 97 N -0.17 0.94 3.75 0.20 0.00 -1.26 -3.26 105.19 105.40 1why n GLY 97 Ca -0.11 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.13 3.81 0.00 0.99 1.43 -1.26 -4.92 118.68 118.60 1why s LEU 98 Ca 0.00 0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 1why s LEU 98 Cb 0.00 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.18 1why s LEU 98 CO 0.00 0.32 0.27 0.61 0.23 0.00 0.00 176.35 177.78 1why n GLY 99 N 1.61 2.99 0.07 -3.19 0.00 -1.26 -5.00 105.19 100.41 1why n GLY 99 Ca -0.16 -2.29 0.10 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.45 0.11 -0.08 1.61 -0.04 -1.26 -3.02 135.00 130.86 1why n PRO 100 Ca -0.05 0.35 -0.21 0.00 -0.04 0.00 0.00 63.50 63.55 1why n PRO 100 Cb 0.52 -1.71 -0.12 0.00 -0.04 0.00 0.00 33.50 32.15 1why n PRO 100 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1why n ASN 101 N -1.90 2.02 -4.57 3.54 3.02 -1.26 -4.85 115.26 111.26 1why n ASN 101 Ca 0.03 0.07 -0.40 0.00 -0.03 0.00 0.00 54.58 54.25 1why n ASN 101 Cb 0.20 -0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 38.68 1why n ASN 101 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1why s THR 102 N -2.52 3.25 0.73 3.41 2.01 -1.17 -4.96 115.64 116.38 1why s THR 102 Ca -0.30 0.21 -0.11 0.00 0.31 0.00 0.00 61.69 61.79 1why s THR 102 Cb 0.09 -3.47 0.03 0.00 0.01 0.00 0.00 72.50 69.15 1why s THR 102 CO 0.65 -0.39 1.09 -0.44 -0.69 0.00 0.00 174.62 174.84 1why s SER 103 N 8.53 5.22 -0.02 3.53 0.01 -1.26 -4.59 113.70 125.11 1why s SER 103 Ca 0.84 1.25 -0.25 0.00 1.31 0.00 0.00 55.95 59.10 1why s SER 103 Cb -0.20 -2.06 -0.20 0.00 0.21 0.00 0.00 66.02 63.77 1why s SER 103 CO 0.28 -1.50 1.22 0.25 0.41 0.00 0.00 173.24 173.90 1why h LEU 104 N -0.76 0.09 -0.91 2.44 5.85 -1.98 -3.28 115.31 116.76 1why h LEU 104 Ca -0.45 -0.55 0.16 0.00 0.84 0.00 0.00 57.88 57.87 1why h LEU 104 Cb 1.25 -0.03 -0.16 0.00 0.37 0.00 0.00 40.66 42.09 1why h LEU 104 CO 0.62 0.63 -0.33 0.00 -0.34 0.00 0.00 178.44 179.02 1why h ALA 105 N 0.47 0.28 -0.46 1.25 0.00 -1.99 -0.29 119.26 118.52 1why h ALA 105 Ca 0.00 0.29 0.05 0.00 0.00 0.00 0.00 54.91 55.25 1why h ALA 105 Cb 0.61 0.87 -0.08 0.00 0.00 0.00 0.00 17.79 19.19 1why h ALA 105 CO 0.01 -0.55 -0.53 0.00 0.00 0.00 0.00 179.25 178.17 1why h ALA 106 N 1.51 -0.73 0.34 0.00 0.00 -1.97 0.15 119.26 118.55 1why h ALA 106 Ca 0.36 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1why h ALA 106 Cb 0.62 1.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1why h ALA 106 CO -0.93 -1.00 -0.32 -0.07 0.00 0.00 0.00 179.25 176.92 1why h LEU 107 N -0.33 -0.88 -0.90 0.00 3.38 -1.21 -1.33 115.31 114.04 1why h LEU 107 Ca 0.08 0.07 0.22 0.00 0.09 0.00 0.00 57.88 58.34 1why h LEU 107 Cb 0.54 0.29 -0.17 0.00 0.09 0.00 0.00 40.66 41.41 1why h LEU 107 CO -0.61 -0.43 -0.08 0.00 0.09 0.00 0.00 178.44 177.41 1why n ALA 108 N -2.60 0.36 -0.24 1.53 0.00 -0.47 0.16 120.51 119.25 1why n ALA 108 Ca -0.08 0.97 -0.07 0.00 0.00 0.00 0.00 53.44 54.27 1why n ALA 108 Cb 0.30 -0.66 0.04 0.00 0.00 0.00 0.00 19.45 19.13 1why n ALA 108 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1why h ARG 109 N 0.00 1.00 -0.25 0.00 1.12 -0.60 0.26 114.38 115.92 1why h ARG 109 Ca 0.50 -0.17 -0.02 0.00 -1.11 0.00 0.00 59.98 59.17 1why h ARG 109 Cb 0.93 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 30.71 1why h ARG 109 CO -0.88 0.83 0.07 0.93 -3.11 0.00 0.00 179.97 177.81 1why h GLU 110 N 0.95 0.39 0.28 0.20 5.08 0.27 -2.99 114.58 118.77 1why h GLU 110 Ca 0.23 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1why h GLU 110 Cb 0.19 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1why h GLU 110 CO -0.02 0.49 -0.13 0.74 -1.00 0.00 0.00 179.01 179.08 1why h PHE 111 N 0.23 -0.35 -0.93 4.33 -1.00 -0.50 -3.18 116.94 115.54 1why h PHE 111 Ca 0.08 -0.01 0.27 0.00 2.81 0.00 0.00 57.97 61.12 1why h PHE 111 Cb 0.27 0.12 -0.17 0.00 3.61 0.00 0.00 35.95 39.77 1why h PHE 111 CO 0.01 -0.01 0.07 -3.47 -1.61 0.00 0.00 178.31 173.30 1why n ASP 112 N -5.10 -0.07 -0.27 2.17 -0.08 0.90 0.13 116.55 114.23 1why n ASP 112 Ca -0.09 1.57 0.11 0.00 -1.51 0.00 0.00 54.79 54.87 1why n ASP 112 Cb 0.26 -0.59 0.22 0.00 2.34 0.00 0.00 41.12 43.35 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 -5.34 -0.06 0.14 -0.67 5.12 -1.13 -0.96 116.66 113.75 1why n ARG 113 Ca 0.23 1.16 -0.06 0.00 -1.93 0.00 0.00 57.85 57.25 1why n ARG 113 Cb 0.76 -1.83 -0.03 0.00 -1.16 0.00 0.00 32.46 30.20 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 -0.34 -3.76 -1.55 0.04 -0.50 -3.48 116.94 107.34 1why h PHE 114 Ca 0.46 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 61.14 1why h PHE 114 Cb 0.94 0.11 -0.12 0.00 2.20 0.00 0.00 35.95 39.08 1why h PHE 114 CO -0.41 -0.21 -0.26 0.20 -0.60 0.00 0.00 178.31 177.03 1why s GLY 115 N -1.98 0.30 0.43 -1.45 0.00 -0.14 -5.02 107.32 99.45 1why s GLY 115 Ca -0.05 -0.71 -0.26 0.00 0.00 0.00 0.00 44.72 43.70 1why s GLY 115 CO 0.16 -0.72 1.40 -0.56 0.00 0.00 0.00 173.10 173.38 1why s SER 116 N -2.93 6.06 -0.08 1.64 0.01 -1.26 -4.12 113.70 113.02 1why s SER 116 Ca 0.14 2.85 -0.01 0.00 1.31 0.00 0.00 55.95 60.24 1why s SER 116 Cb 0.03 -2.65 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 1why s SER 116 CO -0.03 -1.05 0.00 -0.63 0.41 0.00 0.00 173.24 171.95 1why s ILE 117 N -1.21 4.30 -0.03 1.44 1.01 -1.26 -3.30 121.20 122.14 1why s ILE 117 Ca 0.59 -0.29 -0.23 0.00 0.00 0.00 0.00 60.65 60.72 1why s ILE 117 Cb -0.42 -2.82 -0.24 0.00 0.01 0.00 0.00 42.46 38.99 1why s ILE 117 CO 0.55 0.58 1.05 -0.09 0.00 0.00 0.00 174.94 177.03 1why h ARG 118 N 5.06 0.26 -1.42 2.79 9.65 -0.96 -3.48 114.38 126.28 1why h ARG 118 Ca -0.51 -0.27 0.21 0.00 -1.10 0.00 0.00 59.98 58.31 1why h ARG 118 Cb 1.19 0.08 -0.22 0.00 -1.39 0.00 0.00 29.97 29.63 1why h ARG 118 CO 0.55 0.99 0.79 -0.08 2.80 0.00 0.00 179.97 185.01 1why s THR 119 N -3.14 0.00 0.02 0.20 -1.32 -1.26 -5.02 115.64 105.12 1why s THR 119 Ca -0.15 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.36 1why s THR 119 Cb 0.02 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.99 1why s THR 119 CO 0.77 0.00 -0.11 -0.63 -2.21 0.00 0.00 174.62 172.44 1why s ILE 120 N -1.85 0.82 -0.22 5.08 1.01 -1.26 -3.19 121.20 121.60 1why s ILE 120 Ca 0.07 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 59.84 1why s ILE 120 Cb -0.01 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 1why s ILE 120 CO -0.04 0.02 0.32 -0.62 0.00 0.00 0.00 174.94 174.61 1why s ASP 121 N -0.81 6.33 -0.33 3.58 2.15 -1.24 -4.98 116.67 121.37 1why s ASP 121 Ca 0.00 0.38 -0.02 0.00 0.43 0.00 0.00 52.55 53.34 1why s ASP 121 Cb -0.06 -2.19 0.06 0.00 -0.30 0.00 0.00 42.92 40.43 1why s ASP 121 CO 0.00 -0.03 0.06 -1.38 -0.17 0.00 0.00 175.17 173.65 1why s HIS 122 N 1.25 3.35 -0.08 -5.34 -3.43 -1.26 -4.36 115.29 105.41 1why s HIS 122 Ca 0.15 -1.97 -0.11 0.00 -0.80 0.00 0.00 55.06 52.33 1why s HIS 122 Cb -0.14 -2.42 0.03 0.00 -1.43 0.00 0.00 32.58 28.62 1why s HIS 122 CO 0.07 -0.84 0.29 0.08 -2.00 0.00 0.00 174.74 172.34 1why s VAL 123 N 1.24 0.02 -0.13 -5.38 1.01 -1.26 -5.07 120.40 110.83 1why s VAL 123 Ca -0.01 -0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.55 1why s VAL 123 Cb -0.20 -0.47 -0.26 0.00 0.00 0.00 0.00 36.38 35.44 1why s VAL 123 CO -0.01 -0.09 0.71 0.07 0.00 0.00 0.00 175.10 175.78 1why h LYS 124 N 5.16 0.08 0.17 2.72 2.10 -1.98 -3.24 116.57 121.58 1why h LYS 124 Ca -0.27 -0.14 -0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1why h LYS 124 Cb 1.19 0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 32.55 1why h LYS 124 CO 0.34 1.07 -0.27 0.78 -2.00 0.00 0.00 179.45 179.37 1why h GLY 125 N -0.79 -1.09 -0.31 0.07 0.00 -1.98 -1.91 103.07 97.05 1why h GLY 125 Ca -0.09 0.52 0.31 0.00 0.00 0.00 0.00 47.33 48.06 1why h GLY 125 CO 0.01 -0.34 0.74 -0.55 0.00 0.00 0.00 176.54 176.40 1why h ASP 126 N -0.46 0.30 -2.24 0.19 3.32 -2.01 -3.44 116.42 112.09 1why h ASP 126 Ca -0.02 0.07 -0.41 0.00 0.02 0.00 0.00 57.03 56.69 1why h ASP 126 Cb 0.42 0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.92 1why h ASP 126 CO -0.09 0.03 -0.47 -1.54 -1.72 0.00 0.00 179.24 175.45 1why n SER 127 N -4.51 -5.69 -3.70 6.45 3.41 -0.72 -4.95 113.62 103.90 1why n SER 127 Ca 0.27 0.16 -0.11 0.00 -0.26 0.00 0.00 58.87 58.93 1why n SER 127 Cb 1.04 -4.81 -0.06 0.00 -0.26 0.00 0.00 64.21 60.12 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 -2.93 -0.16 -0.01 7.33 -0.12 -1.26 -3.99 117.98 116.83 1why s PHE 128 Ca 0.00 -0.01 0.01 0.00 -0.05 0.00 0.00 56.93 56.87 1why s PHE 128 Cb 0.00 0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.56 1why s PHE 128 CO 0.00 -0.58 -0.01 0.00 -0.05 0.00 0.00 175.22 174.58 1why s ALA 129 N -2.94 0.25 -0.27 1.99 0.00 -0.33 -4.54 121.76 115.92 1why s ALA 129 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 51.96 51.85 1why s ALA 129 Cb 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 1why s ALA 129 CO -0.06 0.01 0.13 0.71 0.00 0.00 0.00 175.76 176.55 1why s TYR 130 N 0.36 3.15 -0.22 0.00 2.02 -1.26 -1.21 117.35 120.18 1why s TYR 130 Ca -0.03 -0.22 -0.09 0.00 -0.37 0.00 0.00 57.07 56.36 1why s TYR 130 Cb -0.06 -2.31 -0.04 0.00 -0.40 0.00 0.00 41.96 39.15 1why s TYR 130 CO -0.01 -0.29 0.11 0.42 -1.57 0.00 0.00 175.55 174.21 1why s ILE 131 N 1.67 4.91 -0.10 2.71 1.01 -0.41 -3.71 121.20 127.29 1why s ILE 131 Ca 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.70 1why s ILE 131 Cb -0.16 -3.27 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1why s ILE 131 CO 0.07 0.38 0.03 -1.58 0.00 0.00 0.00 174.94 173.84 1why s GLN 132 N 0.99 3.11 -0.04 2.79 2.00 -1.19 -1.06 119.66 126.25 1why s GLN 132 Ca 0.05 -0.35 0.05 0.00 -2.00 0.00 0.00 55.36 53.12 1why s GLN 132 Cb -0.14 -2.89 -0.02 0.00 0.80 0.00 0.00 33.01 30.76 1why s GLN 132 CO 0.03 0.71 -0.18 0.71 -0.50 0.00 0.00 175.29 176.07 1why s TYR 133 N -0.88 2.60 0.44 1.67 1.51 -1.14 -0.25 117.35 121.29 1why s TYR 133 Ca 0.13 -0.26 0.16 0.00 -1.01 0.00 0.00 57.07 56.09 1why s TYR 133 Cb -0.12 -1.60 1.07 0.00 -0.11 0.00 0.00 41.96 41.21 1why s TYR 133 CO 0.03 0.10 1.94 0.93 -1.11 0.00 0.00 175.55 177.44 1why h GLU 134 N 5.44 0.37 -5.81 -0.62 5.08 -1.91 -3.43 114.58 113.70 1why h GLU 134 Ca -0.45 -0.02 -0.62 0.00 -1.00 0.00 0.00 59.36 57.27 1why h GLU 134 Cb 1.15 -0.08 -0.13 0.00 0.50 0.00 0.00 28.75 30.18 1why h GLU 134 CO 0.49 0.25 -0.65 -1.12 -1.00 0.00 0.00 179.01 176.98 1why s SER 135 N -6.04 3.78 -0.15 1.42 0.01 -1.26 -5.07 113.70 106.38 1why s SER 135 Ca -0.08 -1.27 -0.23 0.00 1.31 0.00 0.00 55.95 55.68 1why s SER 135 Cb 0.21 -0.37 -0.24 0.00 0.21 0.00 0.00 66.02 65.82 1why s SER 135 CO 0.76 -0.31 0.55 0.25 0.41 0.00 0.00 173.24 174.90 1why h LEU 136 N 1.92 0.11 -0.19 2.44 6.46 -1.96 -3.29 115.31 120.80 1why h LEU 136 Ca -0.43 -0.81 0.05 0.00 -0.12 0.00 0.00 57.88 56.57 1why h LEU 136 Cb 1.25 -0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 41.07 1why h LEU 136 CO 0.75 1.32 -0.45 -0.78 -0.62 0.00 0.00 178.44 178.66 1why h ASP 137 N -0.81 -1.42 -0.71 1.25 1.82 -1.97 -1.07 116.42 113.49 1why h ASP 137 Ca -0.19 0.19 0.15 0.00 -0.39 0.00 0.00 57.03 56.80 1why h ASP 137 Cb 1.30 0.58 -0.11 0.00 0.68 0.00 0.00 39.33 41.79 1why h ASP 137 CO -0.05 -0.43 0.16 0.00 -1.61 0.00 0.00 179.24 177.32 1why h ALA 138 N 0.10 0.90 -0.26 -0.78 0.00 -1.96 -1.01 119.26 116.26 1why h ALA 138 Ca 0.08 0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.21 1why h ALA 138 Cb 0.63 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 1why h ALA 138 CO -0.44 -0.34 -0.10 0.00 0.00 0.00 0.00 179.25 178.37 1why h ALA 139 N 1.59 0.12 -0.15 0.00 0.00 -1.29 -2.39 119.26 117.14 1why h ALA 139 Ca 0.40 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.45 1why h ALA 139 Cb 0.67 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1why h ALA 139 CO -0.50 -0.51 -0.11 1.96 0.00 0.00 0.00 179.25 180.09 1why h GLN 140 N -0.06 -0.11 -0.18 0.00 4.20 -0.36 0.33 115.11 118.94 1why h GLN 140 Ca 0.13 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.88 1why h GLN 140 Cb 0.26 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 1why h GLN 140 CO -0.30 -0.08 -0.35 0.00 -0.67 0.00 0.00 178.83 177.44 1why h ALA 141 N 0.99 -0.66 -0.93 3.87 0.00 -0.91 -1.16 119.26 120.47 1why h ALA 141 Ca 0.09 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1why h ALA 141 Cb 0.25 0.92 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1why h ALA 141 CO -0.22 -0.81 0.60 0.00 0.00 0.00 0.00 179.25 178.83 1why h ALA 142 N -0.61 1.32 -0.44 0.00 0.00 -1.31 -0.81 119.26 117.41 1why h ALA 142 Ca 0.03 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1why h ALA 142 Cb 0.40 -0.38 -0.10 0.00 0.00 0.00 0.00 17.79 17.72 1why h ALA 142 CO -0.33 0.62 -0.30 0.00 0.00 0.00 0.00 179.25 179.25 1why h ALA 144 N 0.92 -0.31 -0.51 0.00 0.00 -1.02 -2.43 119.26 115.90 1why h ALA 144 Ca 0.20 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1why h ALA 144 Cb 0.52 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 1why h ALA 144 CO -0.56 -0.33 -0.55 0.87 0.00 0.00 0.00 179.25 178.68 1why h LYS 145 N -1.01 -0.31 -0.94 0.00 6.56 -1.01 0.73 116.57 120.58 1why h LYS 145 Ca -0.03 0.02 0.08 0.00 -1.06 0.00 0.00 60.65 59.66 1why h LYS 145 Cb 0.42 0.07 -0.07 0.00 -0.57 0.00 0.00 32.23 32.08 1why h LYS 145 CO 0.05 -0.21 0.59 0.52 -2.06 0.00 0.00 179.45 178.34 1why h MET 146 N -0.33 1.00 -6.02 3.15 2.86 -0.23 -3.43 114.93 111.94 1why h MET 146 Ca 0.10 -0.06 -0.81 0.00 -2.06 0.00 0.00 59.70 56.86 1why h MET 146 Cb 0.57 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1why h MET 146 CO -0.66 0.66 0.96 -2.13 1.06 0.00 0.00 176.91 176.81 1why n ARG 147 N -4.59 0.22 -2.34 1.72 0.00 0.25 0.27 116.66 112.19 1why n ARG 147 Ca 0.15 0.07 -0.03 0.00 -0.00 0.00 0.00 57.85 58.05 1why n ARG 147 Cb 0.23 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 31.06 1why n ARG 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1why n GLY 148 N 5.28 0.53 3.77 5.14 0.00 0.23 -4.95 105.19 115.19 1why n GLY 148 Ca 0.39 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.59 2.58 -2.00 1.61 5.36 0.14 -4.58 117.98 118.51 1why s PHE 149 Ca 0.03 1.22 0.07 0.00 -0.96 0.00 0.00 56.93 57.29 1why s PHE 149 Cb -0.02 -3.97 0.41 0.00 -0.34 0.00 0.00 43.02 39.11 1why s PHE 149 CO 0.04 -2.88 0.86 -0.35 -1.46 0.00 0.00 175.22 171.43 1why n PRO 150 N 0.29 0.49 -0.92 10.12 -0.04 -1.26 -2.09 135.00 141.59 1why n PRO 150 Ca 0.02 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.18 1why n PRO 150 Cb 0.40 -1.22 0.02 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.72 -3.69 0.00 1.53 7.94 -1.26 -3.87 117.00 116.93 1why n LEU 151 Ca 0.05 0.38 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 1why n LEU 151 Cb 0.02 -0.65 0.00 0.00 0.53 0.00 0.00 43.42 43.32 1why n LEU 151 CO 0.04 -4.24 0.00 0.61 -1.11 0.00 0.00 177.39 172.69 1why n GLY 152 N 2.32 1.02 3.75 -3.96 0.00 -1.26 -4.47 105.19 102.59 1why n GLY 152 Ca 0.03 0.40 -0.33 0.00 0.00 0.00 0.00 46.02 46.12 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 3.52 0.00 -0.02 0.00 -1.25 -5.01 105.19 102.44 1why n GLY 153 Ca 0.00 -2.36 0.08 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.29 0.41 -0.07 1.61 -0.04 -1.26 -3.18 135.00 131.17 1why n PRO 154 Ca -0.21 0.04 -0.14 0.00 -0.04 0.00 0.00 63.50 63.15 1why n PRO 154 Cb 0.66 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.57 1why n PRO 154 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1why n ASP 155 N -1.08 1.47 -4.61 3.54 -0.08 -1.26 -4.94 116.55 109.58 1why n ASP 155 Ca 0.10 0.12 -0.43 0.00 -1.51 0.00 0.00 54.79 53.07 1why n ASP 155 Cb 0.07 -0.38 -0.03 0.00 2.34 0.00 0.00 41.12 43.13 1why n ASP 155 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1why s ARG 156 N -2.27 3.88 0.35 -0.67 0.52 -1.19 -5.02 118.95 114.55 1why s ARG 156 Ca -0.20 0.74 0.09 0.00 -0.52 0.00 0.00 55.73 55.85 1why s ARG 156 Cb 0.07 -3.81 -0.06 0.00 0.52 0.00 0.00 34.95 31.67 1why s ARG 156 CO 0.27 -1.06 -0.04 -0.98 0.02 0.00 0.00 175.30 173.51 1why s ARG 157 N 3.82 1.96 0.11 3.54 1.70 -1.26 -3.95 118.95 124.87 1why s ARG 157 Ca 0.43 -1.85 -0.18 0.00 -0.47 0.00 0.00 55.73 53.66 1why s ARG 157 Cb -0.11 -1.82 -0.07 0.00 -0.57 0.00 0.00 34.95 32.39 1why s ARG 157 CO 0.21 0.13 0.58 -0.51 -1.08 0.00 0.00 175.30 174.63 1why s LEU 158 N -3.67 4.46 -0.39 -1.89 1.43 -0.89 -4.84 118.68 112.90 1why s LEU 158 Ca 0.34 1.24 -0.05 0.00 -1.03 0.00 0.00 54.13 54.63 1why s LEU 158 Cb 0.01 -3.07 0.09 0.00 0.03 0.00 0.00 46.19 43.25 1why s LEU 158 CO 0.18 0.20 0.18 -0.13 0.23 0.00 0.00 176.35 177.02 1why s ARG 159 N -1.43 2.33 -0.20 1.70 1.81 -1.20 0.76 118.95 122.72 1why s ARG 159 Ca 0.33 -1.56 -0.05 0.00 -1.72 0.00 0.00 55.73 52.72 1why s ARG 159 Cb -0.18 -3.58 -0.03 0.00 -0.45 0.00 0.00 34.95 30.71 1why s ARG 159 CO 0.19 -0.93 0.01 0.08 -0.68 0.00 0.00 175.30 173.97 1why s VAL 160 N 1.28 4.08 -0.06 3.52 1.01 -1.26 -3.07 120.40 125.90 1why s VAL 160 Ca 0.03 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 1why s VAL 160 Cb -0.22 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.34 1why s VAL 160 CO -0.01 0.43 0.15 -0.62 0.00 0.00 0.00 175.10 175.05 1why s ASP 161 N 0.90 -0.14 0.15 3.32 2.15 -1.13 -4.79 116.67 117.15 1why s ASP 161 Ca 0.01 0.30 -0.34 0.00 0.43 0.00 0.00 52.55 52.95 1why s ASP 161 Cb -0.14 0.25 -0.15 0.00 -0.30 0.00 0.00 42.92 42.59 1why s ASP 161 CO 0.02 -0.09 1.50 0.49 -0.17 0.00 0.00 175.17 176.92 1why n PHE 162 N 3.50 2.07 -4.22 -5.34 3.72 -1.26 -2.49 117.46 113.44 1why n PHE 162 Ca -0.18 0.37 -0.28 0.00 -0.05 0.00 0.00 57.45 57.31 1why n PHE 162 Cb 0.56 -2.48 -0.09 0.00 -0.94 0.00 0.00 39.48 36.53 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 0.71 3.10 -0.29 4.37 0.00 -1.26 -4.88 121.76 123.51 1why s ALA 163 Ca 0.79 -1.32 -0.24 0.00 0.00 0.00 0.00 51.96 51.20 1why s ALA 163 Cb -0.74 -0.95 0.16 0.00 0.00 0.00 0.00 23.12 21.59 1why s ALA 163 CO 0.41 0.55 1.24 -1.59 0.00 0.00 0.00 175.76 176.38 1why s LYS 164 N -2.63 0.25 -0.00 0.00 -2.85 -1.26 -4.80 119.74 108.45 1why s LYS 164 Ca 0.25 0.31 -0.05 0.00 -1.00 0.00 0.00 55.97 55.49 1why s LYS 164 Cb -0.10 0.11 -0.02 0.00 -2.06 0.00 0.00 37.83 35.76 1why s LYS 164 CO 0.17 -0.03 -0.10 -1.13 0.10 0.00 0.00 175.35 174.36 1why n SER 165 N 2.07 1.15 -2.89 0.03 3.41 -1.26 -5.02 113.62 111.11 1why n SER 165 Ca -0.12 0.17 -0.02 0.00 -0.26 0.00 0.00 58.87 58.64 1why n SER 165 Cb 0.56 -0.39 0.01 0.00 -0.26 0.00 0.00 64.21 64.13 1why n SER 165 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1why s GLY 166 N -4.46 -1.34 -0.78 5.00 0.00 -1.26 -5.10 107.32 99.38 1why s GLY 166 Ca -0.09 -0.05 -0.25 0.00 0.00 0.00 0.00 44.72 44.33 1why s GLY 166 CO 0.12 3.75 1.92 2.56 0.00 0.00 0.00 173.10 181.45 1why s PRO 167 N 1.23 2.58 0.10 2.90 0.04 -1.26 -4.96 135.00 135.62 1why s PRO 167 Ca 0.24 0.08 0.04 0.00 0.04 0.00 0.00 61.00 61.40 1why s PRO 167 Cb 0.00 -4.79 -0.04 0.00 0.04 0.00 0.00 34.50 29.71 1why s PRO 167 CO -0.07 -3.12 0.07 0.45 0.04 0.00 0.00 177.00 174.38 1why s SER 168 N 8.08 5.43 -0.36 6.66 0.15 -1.26 -5.03 113.70 127.38 1why s SER 168 Ca 0.69 -0.06 -0.30 0.00 0.70 0.00 0.00 55.95 56.97 1why s SER 168 Cb -0.09 -1.42 -0.09 0.00 -1.71 0.00 0.00 66.02 62.71 1why s SER 168 CO 0.08 0.16 2.27 -1.20 1.20 0.00 0.00 173.24 175.75 1why n SER 169 N 0.34 2.52 0.00 5.45 7.64 -1.26 -5.29 113.62 123.02 1why n SER 169 Ca -0.09 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1why n SER 169 Cb 0.52 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1why n SER 169 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64