#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 5.56 -4.36 1.61 3.41 -1.26 -4.70 113.62 113.88 1why n SER 75 Ca 0.00 -3.20 -0.39 0.00 -0.26 0.00 0.00 58.87 55.02 1why n SER 75 Cb 0.00 -1.41 -0.08 0.00 -0.26 0.00 0.00 64.21 62.46 1why n SER 75 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1why n SER 76 N 3.09 -1.32 0.00 4.04 7.64 -1.26 -4.62 113.62 121.19 1why n SER 76 Ca 0.34 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 59.04 1why n SER 76 Cb 0.36 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.04 1why n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1why n GLY 77 N -1.26 1.59 3.32 0.23 0.00 -1.26 -5.13 105.19 102.69 1why n GLY 77 Ca 0.05 0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 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 2.00 4.79 -0.22 1.61 0.01 -1.26 -5.01 113.70 115.62 1why s SER 78 Ca 0.00 -0.59 -0.23 0.00 1.31 0.00 0.00 55.95 56.44 1why s SER 78 Cb 0.00 -1.82 -0.01 0.00 0.21 0.00 0.00 66.02 64.40 1why s SER 78 CO 0.00 -0.12 0.75 -0.55 0.41 0.00 0.00 173.24 173.73 1why s SER 79 N 1.48 6.78 -0.17 2.44 0.15 -1.26 -4.86 113.70 118.26 1why s SER 79 Ca 0.03 0.96 -0.00 0.00 0.70 0.00 0.00 55.95 57.65 1why s SER 79 Cb -0.16 -2.40 0.04 0.00 -1.71 0.00 0.00 66.02 61.79 1why s SER 79 CO 0.00 -0.40 -0.06 -0.83 1.20 0.00 0.00 173.24 173.14 1why s GLY 80 N 1.28 1.03 0.12 9.45 0.00 -1.26 -5.08 107.32 112.86 1why s GLY 80 Ca 0.33 -0.92 0.06 0.00 0.00 0.00 0.00 44.72 44.18 1why s GLY 80 CO 0.09 0.89 -0.01 -1.59 0.00 0.00 0.00 173.10 172.49 1why s LYS 81 N 1.58 2.46 0.46 2.90 -2.85 -1.26 -5.09 119.74 117.93 1why s LYS 81 Ca 0.00 -0.94 -0.25 0.00 -1.00 0.00 0.00 55.97 53.78 1why s LYS 81 Cb -0.16 -2.46 -0.08 0.00 -2.06 0.00 0.00 37.83 33.07 1why s LYS 81 CO -0.08 0.51 1.43 -1.50 0.10 0.00 0.00 175.35 175.82 1why s ILE 82 N -1.42 2.03 0.00 3.79 2.07 -1.26 -4.93 121.20 121.48 1why s ILE 82 Ca 0.26 0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.53 1why s ILE 82 Cb -0.11 -3.02 0.00 0.00 0.13 0.00 0.00 42.46 39.46 1why s ILE 82 CO 0.18 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.82 1why n GLY 83 N 0.58 -1.38 2.78 1.50 0.00 -1.26 -5.15 105.19 102.26 1why n GLY 83 Ca 0.05 0.72 -0.17 0.00 0.00 0.00 0.00 46.02 46.63 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 -0.38 -5.00 1.61 1.13 -1.26 -5.11 117.35 108.33 1why s TYR 84 Ca 0.00 0.29 0.00 0.00 -1.41 0.00 0.00 57.07 55.95 1why s TYR 84 Cb 0.00 -0.31 0.00 0.00 -1.10 0.00 0.00 41.96 40.55 1why s TYR 84 CO 0.00 -0.65 0.00 0.41 -2.51 0.00 0.00 175.55 172.80 1why n GLY 85 N 5.33 0.48 3.60 5.49 0.00 -1.26 -5.04 105.19 113.78 1why n GLY 85 Ca -0.05 -1.47 -0.24 0.00 0.00 0.00 0.00 46.02 44.27 1why n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1why n LYS 86 N 0.00 -7.96 -3.65 1.61 3.00 -1.26 -4.99 118.16 104.91 1why n LYS 86 Ca 0.00 0.83 -0.14 0.00 -0.00 0.00 0.00 58.31 59.00 1why n LYS 86 Cb 0.00 -5.89 -0.07 0.00 0.00 0.00 0.00 35.03 29.08 1why n LYS 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1why s ALA 87 N -3.32 -1.12 0.03 3.14 0.00 -1.26 -5.12 121.76 114.11 1why s ALA 87 Ca 0.58 0.50 0.07 0.00 0.00 0.00 0.00 51.96 53.11 1why s ALA 87 Cb -0.26 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 1why s ALA 87 CO 0.73 -0.41 -0.20 -0.80 0.00 0.00 0.00 175.76 175.08 1why s ASN 88 N -1.74 3.63 0.23 0.00 -0.87 -1.26 -5.07 114.94 109.86 1why s ASN 88 Ca -0.08 -0.44 -0.30 0.00 -1.57 0.00 0.00 52.86 50.48 1why s ASN 88 Cb -0.02 -0.55 -0.09 0.00 -0.02 0.00 0.00 41.25 40.58 1why s ASN 88 CO 0.01 0.27 1.28 -2.16 -2.57 0.00 0.00 177.10 173.93 1why s PRO 89 N -1.25 4.41 -0.05 -0.60 0.04 -1.26 -4.47 135.00 131.82 1why s PRO 89 Ca 0.13 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.93 1why s PRO 89 Cb -0.10 -3.18 0.09 0.00 0.04 0.00 0.00 34.50 31.35 1why s PRO 89 CO 0.04 -0.19 0.77 -0.08 0.04 0.00 0.00 177.00 177.58 1why s THR 90 N -0.21 0.00 0.45 1.26 -1.32 -1.26 -5.02 115.64 109.53 1why s THR 90 Ca 0.54 0.00 0.30 0.00 -1.21 0.00 0.00 61.69 61.32 1why s THR 90 Cb -0.36 -1.00 0.49 0.00 -1.51 0.00 0.00 72.50 70.12 1why s THR 90 CO 0.41 0.00 1.65 0.71 -2.21 0.00 0.00 174.62 175.18 1why h THR 91 N 2.68 0.18 -3.97 5.08 1.35 -1.83 -3.39 112.91 113.01 1why h THR 91 Ca -0.25 -0.04 -0.46 0.00 -0.55 0.00 0.00 66.41 65.11 1why h THR 91 Cb 1.17 0.06 -0.02 0.00 -1.73 0.00 0.00 68.15 67.63 1why h THR 91 CO 0.36 0.02 0.35 -0.60 -0.25 0.00 0.00 175.52 175.40 1why s ARG 92 N -5.28 4.38 0.04 4.72 3.52 -1.26 -2.38 118.95 122.69 1why s ARG 92 Ca -0.07 1.25 -0.02 0.00 -0.13 0.00 0.00 55.73 56.76 1why s ARG 92 Cb 0.29 -2.49 -0.03 0.00 -1.56 0.00 0.00 34.95 31.16 1why s ARG 92 CO 0.82 0.09 0.01 -0.51 -0.81 0.00 0.00 175.30 174.90 1why s LEU 93 N -2.62 2.24 -0.18 -0.88 1.43 0.77 -3.52 118.68 115.92 1why s LEU 93 Ca 0.56 -0.77 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 1why s LEU 93 Cb -0.15 0.30 -0.04 0.00 0.03 0.00 0.00 46.19 46.34 1why s LEU 93 CO 0.19 -0.52 0.06 0.86 0.23 0.00 0.00 176.35 177.17 1why s TRP 94 N -3.07 3.24 -0.13 0.29 -0.00 -0.67 -0.44 118.94 118.16 1why s TRP 94 Ca -0.01 0.05 -0.01 0.00 -0.00 0.00 0.00 56.10 56.13 1why s TRP 94 Cb 0.02 -2.07 0.04 0.00 -0.00 0.00 0.00 33.47 31.45 1why s TRP 94 CO -0.07 0.14 -0.04 0.08 -0.00 0.00 0.00 176.95 177.06 1why s VAL 95 N 0.38 0.86 0.46 5.86 1.01 0.58 -2.35 120.40 127.20 1why s VAL 95 Ca 0.03 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1why s VAL 95 Cb -0.12 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1why s VAL 95 CO 0.00 0.19 0.03 -0.83 0.00 0.00 0.00 175.10 174.50 1why s GLY 96 N 1.75 2.78 0.00 4.51 0.00 -1.16 -1.35 107.32 113.86 1why s GLY 96 Ca 0.03 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.71 1why s GLY 96 CO -0.07 -2.09 0.00 0.61 0.00 0.00 0.00 173.10 171.55 1why n GLY 97 N -1.10 0.81 3.70 0.20 0.00 -1.24 -3.80 105.19 103.77 1why n GLY 97 Ca -0.13 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.06 3.59 0.00 0.99 1.43 -1.25 -4.93 118.68 117.45 1why s LEU 98 Ca 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1why s LEU 98 Cb 0.00 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1why s LEU 98 CO 0.00 0.26 0.01 0.61 0.23 0.00 0.00 176.35 177.46 1why n GLY 99 N 1.24 3.70 0.00 -3.19 0.00 -1.26 -4.80 105.19 100.87 1why n GLY 99 Ca -0.14 -2.33 0.07 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.98 0.03 -0.05 1.61 -0.04 -1.26 -2.90 135.00 131.40 1why n PRO 100 Ca -0.16 0.24 -0.21 0.00 -0.04 0.00 0.00 63.50 63.33 1why n PRO 100 Cb 0.49 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.47 2.04 -4.56 3.54 4.13 -1.26 -4.81 115.26 112.88 1why n ASN 101 Ca 0.04 0.18 -0.39 0.00 1.68 0.00 0.00 54.58 56.09 1why n ASN 101 Cb 0.16 -0.78 -0.03 0.00 -1.54 0.00 0.00 39.78 37.59 1why n ASN 101 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1why s THR 102 N -2.51 3.29 0.02 3.41 2.01 -1.14 -4.95 115.64 115.77 1why s THR 102 Ca -0.27 0.20 -0.28 0.00 0.31 0.00 0.00 61.69 61.64 1why s THR 102 Cb 0.08 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1why s THR 102 CO 0.68 -0.63 0.91 -0.44 -0.69 0.00 0.00 174.62 174.46 1why s SER 103 N 8.66 7.33 0.25 3.53 0.01 -1.26 -4.68 113.70 127.54 1why s SER 103 Ca 0.76 1.60 -0.10 0.00 1.31 0.00 0.00 55.95 59.52 1why s SER 103 Cb -0.15 -2.54 0.37 0.00 0.21 0.00 0.00 66.02 63.90 1why s SER 103 CO 0.24 -0.16 1.59 0.25 0.41 0.00 0.00 173.24 175.57 1why h LEU 104 N 6.35 -0.79 -0.91 2.44 6.46 -1.96 0.37 115.31 127.28 1why h LEU 104 Ca -0.42 0.26 0.26 0.00 -0.12 0.00 0.00 57.88 57.85 1why h LEU 104 Cb 1.21 0.53 -0.15 0.00 -0.73 0.00 0.00 40.66 41.52 1why h LEU 104 CO 0.74 -0.28 0.23 0.00 -0.62 0.00 0.00 178.44 178.50 1why h ALA 105 N 1.85 1.33 0.66 1.25 0.00 -1.99 0.68 119.26 123.04 1why h ALA 105 Ca 0.41 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.54 1why h ALA 105 Cb 0.62 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1why h ALA 105 CO -0.88 -0.53 -0.42 0.00 0.00 0.00 0.00 179.25 177.42 1why h ALA 106 N 1.84 -1.21 -0.41 0.00 0.00 -0.64 -2.80 119.26 116.04 1why h ALA 106 Ca 0.59 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.37 1why h ALA 106 Cb 1.23 0.55 -0.08 0.00 0.00 0.00 0.00 17.79 19.50 1why h ALA 106 CO -0.71 -1.18 -0.09 -0.07 0.00 0.00 0.00 179.25 177.20 1why h LEU 107 N -1.02 -0.35 -0.93 0.00 3.38 -1.14 -1.96 115.31 113.29 1why h LEU 107 Ca -0.09 0.12 0.16 0.00 0.09 0.00 0.00 57.88 58.16 1why h LEU 107 Cb 0.82 0.24 -0.16 0.00 0.09 0.00 0.00 40.66 41.65 1why h LEU 107 CO 0.08 -0.12 -0.35 0.00 0.09 0.00 0.00 178.44 178.13 1why h ALA 108 N 1.40 0.23 -0.13 1.53 0.00 -0.81 1.11 119.26 122.59 1why h ALA 108 Ca 0.20 0.28 -0.06 0.00 0.00 0.00 0.00 54.91 55.33 1why h ALA 108 Cb 0.30 0.92 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1why h ALA 108 CO -0.41 -0.58 -0.19 -0.09 0.00 0.00 0.00 179.25 177.98 1why h ARG 109 N -0.02 0.22 -0.31 0.00 9.65 -1.11 0.33 114.38 123.14 1why h ARG 109 Ca 0.36 -0.06 -0.13 0.00 -1.10 0.00 0.00 59.98 59.05 1why h ARG 109 Cb 0.61 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.16 1why h ARG 109 CO -0.95 0.41 -0.33 0.93 2.80 0.00 0.00 179.97 182.83 1why h GLU 110 N 0.20 0.67 0.00 0.20 4.39 0.17 -2.97 114.58 117.24 1why h GLU 110 Ca 0.04 -0.31 -0.14 0.00 0.34 0.00 0.00 59.36 59.28 1why h GLU 110 Cb 0.46 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1why h GLU 110 CO 0.03 0.91 -1.09 0.74 -1.16 0.00 0.00 179.01 178.44 1why h PHE 111 N 0.57 0.00 -0.81 4.33 -1.00 -0.06 -3.34 116.94 116.63 1why h PHE 111 Ca 0.06 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.81 1why h PHE 111 Cb 0.84 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.37 1why h PHE 111 CO 0.04 0.54 0.40 0.22 -1.61 0.00 0.00 178.31 177.89 1why h ASP 112 N 0.00 1.04 -1.89 2.17 3.58 -0.26 -2.53 116.42 118.53 1why h ASP 112 Ca -0.10 -0.12 0.55 0.00 0.42 0.00 0.00 57.03 57.79 1why h ASP 112 Cb 1.50 -0.27 -0.08 0.00 1.72 0.00 0.00 39.33 42.20 1why h ASP 112 CO 0.05 0.87 1.35 0.08 -2.88 0.00 0.00 179.24 178.71 1why h ARG 113 N 1.14 0.00 0.00 0.28 0.11 -1.64 0.30 114.38 114.57 1why h ARG 113 Ca 0.28 -0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.31 1why h ARG 113 Cb 0.10 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 1why h ARG 113 CO -0.04 0.00 -0.34 0.74 0.10 0.00 0.00 179.97 180.44 1why h PHE 114 N 0.00 0.00 -1.94 4.08 0.04 -1.71 -3.49 116.94 113.92 1why h PHE 114 Ca 0.92 0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.73 1why h PHE 114 Cb 3.63 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 41.58 1why h PHE 114 CO -0.00 0.82 0.41 0.20 -0.60 0.00 0.00 178.31 179.14 1why s GLY 115 N -4.23 -0.42 -0.32 -1.45 0.00 0.10 -4.94 107.32 96.05 1why s GLY 115 Ca -0.17 1.50 -0.41 0.00 0.00 0.00 0.00 44.72 45.64 1why s GLY 115 CO 0.49 0.80 1.74 1.44 0.00 0.00 0.00 173.10 177.57 1why n SER 116 N 0.49 2.21 -4.69 1.64 7.64 -1.26 -4.32 113.62 115.33 1why n SER 116 Ca -0.13 1.07 -0.41 0.00 1.01 0.00 0.00 58.87 60.41 1why n SER 116 Cb 0.59 -1.10 -0.04 0.00 -1.01 0.00 0.00 64.21 62.65 1why n SER 116 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1why s ILE 117 N 3.60 4.89 0.02 0.44 1.01 -1.26 -2.81 121.20 127.10 1why s ILE 117 Ca 1.00 1.76 -0.29 0.00 0.00 0.00 0.00 60.65 63.13 1why s ILE 117 Cb -1.13 -4.19 -0.16 0.00 0.01 0.00 0.00 42.46 36.99 1why s ILE 117 CO 0.68 0.09 1.21 -0.09 0.00 0.00 0.00 174.94 176.83 1why h ARG 118 N 7.06 -1.00 -2.39 2.79 9.65 -0.78 -3.48 114.38 126.22 1why h ARG 118 Ca -0.34 0.07 0.06 0.00 -1.10 0.00 0.00 59.98 58.67 1why h ARG 118 Cb 1.16 0.23 -0.15 0.00 -1.39 0.00 0.00 29.97 29.82 1why h ARG 118 CO 0.81 -0.66 0.40 -0.08 2.80 0.00 0.00 179.97 183.23 1why s THR 119 N -4.93 0.00 -0.03 0.20 -1.32 -1.26 -5.05 115.64 103.25 1why s THR 119 Ca -0.15 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.34 1why s THR 119 Cb 0.02 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.03 1why s THR 119 CO 0.45 0.00 -0.02 -0.63 -2.21 0.00 0.00 174.62 172.21 1why s ILE 120 N -2.98 0.31 0.02 5.08 1.01 -1.26 -3.35 121.20 120.03 1why s ILE 120 Ca 0.02 -0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.36 1why s ILE 120 Cb -0.01 -0.36 -0.04 0.00 0.01 0.00 0.00 42.46 42.06 1why s ILE 120 CO -0.08 0.16 0.94 -0.62 0.00 0.00 0.00 174.94 175.34 1why s ASP 121 N 0.82 7.35 -0.45 3.58 2.15 -1.26 -5.02 116.67 123.85 1why s ASP 121 Ca -0.09 1.63 -0.09 0.00 0.43 0.00 0.00 52.55 54.43 1why s ASP 121 Cb -0.12 -2.55 0.10 0.00 -0.30 0.00 0.00 42.92 40.05 1why s ASP 121 CO -0.01 -0.20 0.30 -1.38 -0.17 0.00 0.00 175.17 173.72 1why s HIS 122 N 0.77 3.40 -0.24 -5.34 -3.43 -1.26 -4.58 115.29 104.60 1why s HIS 122 Ca 0.49 -1.76 -0.02 0.00 -0.80 0.00 0.00 55.06 52.97 1why s HIS 122 Cb -0.21 -3.27 0.07 0.00 -1.43 0.00 0.00 32.58 27.74 1why s HIS 122 CO 0.27 -0.94 0.05 0.08 -2.00 0.00 0.00 174.74 172.20 1why s VAL 123 N 1.38 0.76 -0.00 -5.38 1.01 -1.26 -5.00 120.40 111.90 1why s VAL 123 Ca 0.05 -0.93 -0.21 0.00 0.00 0.00 0.00 61.98 60.90 1why s VAL 123 Cb -0.25 -1.34 -0.23 0.00 0.00 0.00 0.00 36.38 34.57 1why s VAL 123 CO 0.00 -0.36 1.10 0.11 0.00 0.00 0.00 175.10 175.95 1why h LYS 124 N 8.16 0.37 -0.60 2.72 1.57 -1.96 -2.09 116.57 124.74 1why h LYS 124 Ca -0.16 -0.38 0.07 0.00 -1.87 0.00 0.00 60.65 58.31 1why h LYS 124 Cb 1.08 0.10 -0.10 0.00 0.08 0.00 0.00 32.23 33.39 1why h LYS 124 CO 0.39 1.05 -0.53 0.78 -0.57 0.00 0.00 179.45 180.57 1why h GLY 125 N -0.16 -0.81 2.00 3.86 0.00 -1.97 0.13 103.07 106.12 1why h GLY 125 Ca -0.06 0.70 -0.03 0.00 0.00 0.00 0.00 47.33 47.93 1why h GLY 125 CO 0.10 -0.09 -0.16 -0.55 0.00 0.00 0.00 176.54 175.84 1why h ASP 126 N -0.26 0.00 -5.43 0.19 3.32 -2.01 -3.47 116.42 108.77 1why h ASP 126 Ca 0.13 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.87 1why h ASP 126 Cb 0.55 0.00 0.16 0.00 0.22 0.00 0.00 39.33 40.26 1why h ASP 126 CO -0.71 0.16 -0.73 -1.20 -1.72 0.00 0.00 179.24 175.04 1why n SER 127 N -3.21 -2.52 -3.71 6.45 7.64 0.46 -5.00 113.62 113.72 1why n SER 127 Ca 0.02 -0.59 -0.06 0.00 1.01 0.00 0.00 58.87 59.24 1why n SER 127 Cb 0.49 -4.87 -0.02 0.00 -1.01 0.00 0.00 64.21 58.80 1why n SER 127 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1why s PHE 128 N -3.34 -0.23 0.01 1.43 -0.71 -1.16 -3.67 117.98 110.31 1why s PHE 128 Ca 0.05 -0.09 -0.29 0.00 -1.04 0.00 0.00 56.93 55.56 1why s PHE 128 Cb -0.01 0.64 0.10 0.00 -1.21 0.00 0.00 43.02 42.54 1why s PHE 128 CO 0.69 -0.91 1.07 0.00 -1.34 0.00 0.00 175.22 174.73 1why s ALA 129 N -3.50 -1.92 0.14 1.99 0.00 -0.45 -4.07 121.76 113.95 1why s ALA 129 Ca 0.10 0.73 0.10 0.00 0.00 0.00 0.00 51.96 52.88 1why s ALA 129 Cb -0.03 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 1why s ALA 129 CO 0.00 -0.89 -0.19 0.71 0.00 0.00 0.00 175.76 175.39 1why s TYR 130 N -2.88 2.48 -0.15 0.00 1.51 -1.26 -0.31 117.35 116.74 1why s TYR 130 Ca 0.11 -0.29 -0.03 0.00 -1.01 0.00 0.00 57.07 55.85 1why s TYR 130 Cb 0.00 -1.30 -0.02 0.00 -0.11 0.00 0.00 41.96 40.54 1why s TYR 130 CO -0.03 0.41 -0.07 0.42 -1.11 0.00 0.00 175.55 175.17 1why s ILE 131 N -1.27 3.60 -0.19 2.71 -1.09 0.42 -3.98 121.20 121.40 1why s ILE 131 Ca 0.19 -0.46 -0.03 0.00 -2.23 0.00 0.00 60.65 58.11 1why s ILE 131 Cb -0.10 -2.57 -0.02 0.00 -1.58 0.00 0.00 42.46 38.20 1why s ILE 131 CO 0.10 0.50 -0.05 -1.58 -1.23 0.00 0.00 174.94 172.68 1why s GLN 132 N 0.45 3.47 0.07 2.79 2.00 -1.21 -0.16 119.66 127.07 1why s GLN 132 Ca -0.05 -0.60 0.03 0.00 -2.00 0.00 0.00 55.36 52.74 1why s GLN 132 Cb -0.15 -2.95 -0.04 0.00 0.80 0.00 0.00 33.01 30.68 1why s GLN 132 CO 0.03 -0.02 0.07 0.71 -0.50 0.00 0.00 175.29 175.58 1why s TYR 133 N 1.03 3.18 0.44 1.67 2.02 -1.00 -0.05 117.35 124.64 1why s TYR 133 Ca 0.01 0.08 0.25 0.00 -0.37 0.00 0.00 57.07 57.04 1why s TYR 133 Cb -0.15 -1.62 1.41 0.00 -0.40 0.00 0.00 41.96 41.20 1why s TYR 133 CO 0.00 0.52 2.08 0.93 -1.57 0.00 0.00 175.55 177.51 1why h GLU 134 N 3.37 0.00 -5.23 -0.62 4.39 -1.85 -3.43 114.58 111.20 1why h GLU 134 Ca -0.47 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 58.84 1why h GLU 134 Cb 1.16 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.61 1why h GLU 134 CO 0.65 0.12 -0.77 0.45 -1.16 0.00 0.00 179.01 178.30 1why s SER 135 N -6.31 1.60 0.20 1.42 0.15 -1.26 -5.05 113.70 104.46 1why s SER 135 Ca -0.03 -0.65 -0.06 0.00 0.70 0.00 0.00 55.95 55.91 1why s SER 135 Cb 0.14 -0.04 0.15 0.00 -1.71 0.00 0.00 66.02 64.56 1why s SER 135 CO 0.60 -0.12 1.61 0.25 1.20 0.00 0.00 173.24 176.79 1why h LEU 136 N 4.15 0.84 0.00 3.45 6.46 -1.93 -2.94 115.31 125.34 1why h LEU 136 Ca -0.40 -0.31 -0.00 0.00 -0.12 0.00 0.00 57.88 57.06 1why h LEU 136 Cb 1.19 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.89 1why h LEU 136 CO 0.43 1.03 -0.00 0.44 -0.62 0.00 0.00 178.44 179.72 1why h ASP 137 N 0.72 -0.00 -0.16 1.25 5.19 -1.97 -1.88 116.42 119.57 1why h ASP 137 Ca 0.10 -0.13 0.05 0.00 -0.62 0.00 0.00 57.03 56.43 1why h ASP 137 Cb 0.75 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.25 1why h ASP 137 CO 0.06 0.13 0.18 0.00 -3.12 0.00 0.00 179.24 176.48 1why h ALA 138 N 0.87 1.77 0.02 3.45 0.00 -1.91 -1.94 119.26 121.52 1why h ALA 138 Ca -0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1why h ALA 138 Cb 0.13 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1why h ALA 138 CO 0.00 -0.26 -0.25 0.00 0.00 0.00 0.00 179.25 178.74 1why h ALA 139 N 1.79 0.00 -0.48 0.00 0.00 -1.23 -3.12 119.26 116.22 1why h ALA 139 Ca 0.08 -0.50 0.08 0.00 0.00 0.00 0.00 54.91 54.57 1why h ALA 139 Cb 0.43 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1why h ALA 139 CO -0.00 0.09 0.33 1.96 0.00 0.00 0.00 179.25 181.63 1why h GLN 140 N -0.62 0.28 0.63 0.00 4.20 -0.61 0.39 115.11 119.39 1why h GLN 140 Ca -0.04 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 1why h GLN 140 Cb 1.08 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.80 1why h GLN 140 CO 0.05 0.18 -0.30 0.00 -0.67 0.00 0.00 178.83 178.09 1why h ALA 141 N 1.75 -0.85 -0.13 3.87 0.00 -1.49 -2.94 119.26 119.48 1why h ALA 141 Ca 0.22 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1why h ALA 141 Cb 0.49 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1why h ALA 141 CO -0.05 -0.81 0.03 0.00 0.00 0.00 0.00 179.25 178.42 1why h ALA 142 N -1.09 0.13 -1.19 0.00 0.00 -1.43 -0.09 119.26 115.59 1why h ALA 142 Ca -0.09 0.02 0.35 0.00 0.00 0.00 0.00 54.91 55.19 1why h ALA 142 Cb 0.68 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1why h ALA 142 CO 0.14 -0.42 0.87 0.00 0.00 0.00 0.00 179.25 179.84 1why h ALA 144 N 1.39 0.00 -0.89 0.00 0.00 -1.13 -3.28 119.26 115.35 1why h ALA 144 Ca 0.57 -0.25 0.22 0.00 0.00 0.00 0.00 54.91 55.44 1why h ALA 144 Cb 2.29 0.04 -0.16 0.00 0.00 0.00 0.00 17.79 19.96 1why h ALA 144 CO -0.01 0.04 -0.03 0.87 0.00 0.00 0.00 179.25 180.12 1why h LYS 145 N -0.08 0.04 0.34 0.00 6.56 -0.87 -0.16 116.57 122.40 1why h LYS 145 Ca 0.00 -0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1why h LYS 145 Cb 0.04 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 31.66 1why h LYS 145 CO 0.00 0.03 -0.42 0.52 -2.06 0.00 0.00 179.45 177.52 1why h MET 146 N 0.05 -0.78 -3.90 3.15 2.86 -0.66 -3.41 114.93 112.24 1why h MET 146 Ca 0.50 0.05 -0.34 0.00 -2.06 0.00 0.00 59.70 57.85 1why h MET 146 Cb 0.93 0.18 -0.08 0.00 0.06 0.00 0.00 31.60 32.68 1why h MET 146 CO -0.83 -0.52 1.47 0.54 1.06 0.00 0.00 176.91 178.63 1why n ARG 147 N -5.50 0.00 0.00 1.72 1.74 -0.08 -0.89 116.66 113.65 1why n ARG 147 Ca -0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1why n ARG 147 Cb 0.40 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.83 1why n ARG 147 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1why n GLY 148 N 4.75 1.21 3.76 -0.13 0.00 -1.20 -5.01 105.19 108.57 1why n GLY 148 Ca 0.52 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 3.92 -2.00 1.61 5.36 -0.07 -4.93 117.98 119.88 1why s PHE 149 Ca 0.00 1.82 0.07 0.00 -0.96 0.00 0.00 56.93 57.86 1why s PHE 149 Cb 0.00 -2.91 0.42 0.00 -0.34 0.00 0.00 43.02 40.19 1why s PHE 149 CO 0.00 0.44 0.88 -0.35 -1.46 0.00 0.00 175.22 174.72 1why n PRO 150 N 1.37 0.49 -1.25 10.12 -0.04 -1.26 -3.51 135.00 140.91 1why n PRO 150 Ca -0.02 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.08 1why n PRO 150 Cb 0.48 -1.23 -0.13 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.73 0.27 0.00 1.53 -0.00 -1.26 -4.34 117.00 112.47 1why n LEU 151 Ca 0.05 0.18 0.00 0.00 -0.00 0.00 0.00 56.01 56.25 1why n LEU 151 Cb 0.02 -0.78 0.00 0.00 -0.00 0.00 0.00 43.42 42.67 1why n LEU 151 CO 0.04 -0.61 0.00 0.61 -0.00 0.00 0.00 177.39 177.43 1why n GLY 152 N 5.56 -1.64 3.22 -3.96 0.00 -1.26 -4.45 105.19 102.66 1why n GLY 152 Ca 0.55 -1.45 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.64 0.00 -0.02 0.00 -1.26 -4.81 105.19 96.46 1why n GLY 153 Ca 0.00 -0.95 0.07 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.78 0.29 -0.13 1.61 -0.04 -1.26 -2.77 135.00 129.92 1why n PRO 154 Ca 0.04 0.10 -0.18 0.00 -0.04 0.00 0.00 63.50 63.42 1why n PRO 154 Cb 0.54 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.20 2.02 -4.56 3.54 8.00 -1.26 -4.78 116.55 118.31 1why n ASP 155 Ca 0.08 -0.14 -0.37 0.00 0.71 0.00 0.00 54.79 55.07 1why n ASP 155 Cb 0.10 -0.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.76 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 -2.51 3.35 -0.19 -1.24 1.81 -1.11 -4.96 118.95 114.10 1why s ARG 156 Ca -0.34 -1.05 -0.08 0.00 -1.72 0.00 0.00 55.73 52.54 1why s ARG 156 Cb 0.09 -5.31 -0.04 0.00 -0.45 0.00 0.00 34.95 29.24 1why s ARG 156 CO 0.59 -2.58 0.07 1.03 -0.68 0.00 0.00 175.30 173.73 1why s ARG 157 N 5.42 3.96 0.02 3.54 1.81 -1.26 -4.21 118.95 128.23 1why s ARG 157 Ca 0.54 -0.35 -0.30 0.00 -1.72 0.00 0.00 55.73 53.90 1why s ARG 157 Cb -0.01 -3.24 -0.08 0.00 -0.45 0.00 0.00 34.95 31.18 1why s ARG 157 CO -0.04 0.23 1.83 -0.51 -0.68 0.00 0.00 175.30 176.13 1why s LEU 158 N 0.49 4.39 -0.52 2.53 1.43 -1.23 -4.92 118.68 120.85 1why s LEU 158 Ca 0.03 2.52 -0.19 0.00 -1.03 0.00 0.00 54.13 55.46 1why s LEU 158 Cb -0.13 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.62 1why s LEU 158 CO 0.01 -0.99 0.65 -0.13 0.23 0.00 0.00 176.35 176.11 1why s ARG 159 N 4.04 3.12 -0.18 1.70 1.81 -1.25 -3.27 118.95 124.93 1why s ARG 159 Ca 0.82 -0.91 -0.04 0.00 -1.72 0.00 0.00 55.73 53.89 1why s ARG 159 Cb -0.40 -4.11 -0.02 0.00 -0.45 0.00 0.00 34.95 29.97 1why s ARG 159 CO 0.36 -1.27 -0.04 0.08 -0.68 0.00 0.00 175.30 173.75 1why s VAL 160 N 2.71 3.71 -0.07 3.52 1.01 -1.26 -2.99 120.40 127.02 1why s VAL 160 Ca 0.15 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 1why s VAL 160 Cb -0.19 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.57 1why s VAL 160 CO 0.12 0.47 0.17 -0.62 0.00 0.00 0.00 175.10 175.23 1why s ASP 161 N 0.74 -0.16 0.09 3.32 -1.08 -0.99 -4.74 116.67 113.85 1why s ASP 161 Ca -0.02 0.34 -0.36 0.00 -0.52 0.00 0.00 52.55 51.99 1why s ASP 161 Cb -0.15 0.28 -0.17 0.00 -1.46 0.00 0.00 42.92 41.42 1why s ASP 161 CO 0.02 -0.10 1.13 0.49 0.52 0.00 0.00 175.17 177.22 1why n PHE 162 N 3.62 0.99 -2.43 -5.34 3.72 -1.26 -1.66 117.46 115.09 1why n PHE 162 Ca -0.19 0.81 -0.25 0.00 -0.05 0.00 0.00 57.45 57.77 1why n PHE 162 Cb 0.55 -2.21 0.12 0.00 -0.94 0.00 0.00 39.48 37.00 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 -0.00 3.39 -0.82 4.37 0.00 -1.23 -4.71 121.76 122.76 1why s ALA 163 Ca 0.81 -1.54 -0.04 0.00 0.00 0.00 0.00 51.96 51.19 1why s ALA 163 Cb -1.02 -2.20 0.21 0.00 0.00 0.00 0.00 23.12 20.10 1why s ALA 163 CO 0.52 -1.60 0.70 0.15 0.00 0.00 0.00 175.76 175.53 1why s LYS 164 N -5.27 3.16 0.02 0.00 1.02 -1.26 -4.52 119.74 112.88 1why s LYS 164 Ca 0.67 -2.94 -0.25 0.00 0.02 0.00 0.00 55.97 53.47 1why s LYS 164 Cb -0.06 -3.99 -0.14 0.00 -0.52 0.00 0.00 37.83 33.13 1why s LYS 164 CO 0.46 -1.24 1.11 0.77 -0.92 0.00 0.00 175.35 175.53 1why h SER 165 N 6.60 -0.75 -3.64 2.83 0.02 -1.91 -3.48 113.55 113.22 1why h SER 165 Ca 0.10 0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.17 1why h SER 165 Cb 0.89 0.19 -0.25 0.00 0.14 0.00 0.00 62.40 63.38 1why h SER 165 CO 0.81 -0.43 0.57 -0.83 -1.14 0.00 0.00 176.83 175.81 1why s GLY 166 N -2.25 -0.16 1.17 -3.77 0.00 -1.26 -5.18 107.32 95.86 1why s GLY 166 Ca -0.13 2.38 -0.18 0.00 0.00 0.00 0.00 44.72 46.79 1why s GLY 166 CO 0.39 1.33 1.11 2.56 0.00 0.00 0.00 173.10 178.49 1why s PRO 167 N -0.63 -0.96 -0.99 2.90 0.04 -1.26 -4.91 135.00 129.19 1why s PRO 167 Ca 0.01 0.03 -0.23 0.00 0.04 0.00 0.00 61.00 60.84 1why s PRO 167 Cb -0.02 -1.62 0.04 0.00 0.04 0.00 0.00 34.50 32.94 1why s PRO 167 CO -0.03 -3.55 1.49 0.45 0.04 0.00 0.00 177.00 175.40 1why s SER 168 N -3.82 6.35 1.01 6.66 0.15 -1.26 -4.99 113.70 117.81 1why s SER 168 Ca 0.70 -1.32 -0.14 0.00 0.70 0.00 0.00 55.95 55.89 1why s SER 168 Cb -0.11 -2.57 0.09 0.00 -1.71 0.00 0.00 66.02 61.72 1why s SER 168 CO 0.56 -1.64 0.43 -1.54 1.20 0.00 0.00 173.24 172.25 1why n SER 169 N 9.40 -1.85 0.00 5.45 3.41 -1.26 -5.36 113.62 123.41 1why n SER 169 Ca 0.32 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 1why n SER 169 Cb 0.51 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 1why n SER 169 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49