#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2i s GLN 95 N 0.00 3.74 0.27 -0.78 0.74 -1.26 -4.73 119.66 117.65 2k2i s GLN 95 Ca 0.00 0.96 0.00 0.00 0.05 0.00 0.00 55.36 56.37 2k2i s GLN 95 Cb 0.00 -3.94 0.00 0.00 1.10 0.00 0.00 33.01 30.17 2k2i s GLN 95 CO 0.00 -1.35 0.00 1.63 -0.55 0.00 0.00 175.29 175.02 2k2i n LYS 96 N 7.72 0.00 -0.19 1.67 5.02 -1.26 -4.92 118.16 126.20 2k2i n LYS 96 Ca 0.15 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.53 2k2i n LYS 96 Cb 0.48 -0.03 0.26 0.00 -0.02 0.00 0.00 35.03 35.71 2k2i n LYS 96 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2k2i n MET 97 N -3.46 2.09 0.00 1.97 2.81 -1.26 -4.63 117.12 114.64 2k2i n MET 97 Ca 0.00 -1.67 0.00 0.00 -1.81 0.00 0.00 57.70 54.22 2k2i n MET 97 Cb 0.00 -1.41 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 2k2i n MET 97 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2k2i n SER 98 N 0.86 0.00 -4.55 7.83 2.88 -1.26 -4.88 113.62 114.50 2k2i n SER 98 Ca 0.17 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.42 2k2i n SER 98 Cb 0.42 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.84 2k2i n SER 98 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2k2i s GLU 99 N 2.24 2.00 0.00 -1.46 -6.30 -1.26 -4.67 118.70 109.25 2k2i s GLU 99 Ca 0.00 0.97 0.00 0.00 -2.50 0.00 0.00 54.97 53.44 2k2i s GLU 99 Cb 0.00 -4.65 0.00 0.00 0.00 0.00 0.00 34.13 29.48 2k2i s GLU 99 CO 0.00 -3.61 0.92 0.36 0.02 0.00 0.00 175.26 172.94 2k2i n LYS 100 N 8.96 2.46 0.00 4.30 0.00 -1.26 -4.84 118.16 127.79 2k2i n LYS 100 Ca 0.39 -1.33 0.00 0.00 -0.00 0.00 0.00 58.31 57.36 2k2i n LYS 100 Cb 0.51 -0.94 0.00 0.00 -0.00 0.00 0.00 35.03 34.59 2k2i n LYS 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2k2i n ASP 101 N -0.42 1.11 0.00 -5.58 9.92 -1.26 -3.82 116.55 116.50 2k2i n ASP 101 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2k2i n ASP 101 Cb 0.27 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.75 2k2i n ASP 101 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 2k2i n THR 102 N -2.39 0.00 0.06 -3.53 5.66 -1.26 -3.84 114.28 108.98 2k2i n THR 102 Ca 0.00 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.94 2k2i n THR 102 Cb 0.27 -0.25 0.13 0.00 -1.55 0.00 0.00 70.33 68.93 2k2i n THR 102 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2k2i h LYS 103 N 0.00 0.34 -0.76 1.09 3.64 -1.97 -2.54 116.57 116.37 2k2i h LYS 103 Ca 0.00 -0.21 0.07 0.00 -1.27 0.00 0.00 60.65 59.24 2k2i h LYS 103 Cb 0.00 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 2k2i h LYS 103 CO 0.00 0.79 0.50 1.49 -2.27 0.00 0.00 179.45 179.96 2k2i h GLU 104 N 0.26 0.77 -0.53 1.90 4.57 -1.88 0.45 114.58 120.12 2k2i h GLU 104 Ca 0.01 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 58.03 2k2i h GLU 104 Cb 1.03 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.42 2k2i h GLU 104 CO 0.09 0.51 -0.08 1.49 -1.18 0.00 0.00 179.01 179.84 2k2i h GLU 105 N 0.79 0.99 -0.45 1.92 4.22 -1.56 0.31 114.58 120.81 2k2i h GLU 105 Ca 0.33 -0.36 -0.02 0.00 0.08 0.00 0.00 59.36 59.39 2k2i h GLU 105 Cb 0.28 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2k2i h GLU 105 CO -0.12 1.04 0.20 0.82 -2.18 0.00 0.00 179.01 178.77 2k2i h ILE 106 N 0.86 1.19 -0.89 2.32 1.08 -1.25 -1.18 117.51 119.65 2k2i h ILE 106 Ca 0.14 -0.58 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 2k2i h ILE 106 Cb 0.64 0.74 -0.04 0.00 -3.07 0.00 0.00 36.82 35.09 2k2i h ILE 106 CO 0.04 0.22 0.58 0.25 -0.69 0.00 0.00 178.15 178.55 2k2i h LEU 107 N 0.58 1.04 -0.58 1.44 6.46 0.01 0.67 115.31 124.93 2k2i h LEU 107 Ca 0.15 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 2k2i h LEU 107 Cb 0.16 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 2k2i h LEU 107 CO -0.02 0.77 0.28 0.50 -0.62 0.00 0.00 178.44 179.36 2k2i h LYS 108 N 1.22 0.84 -0.23 1.25 3.64 -0.08 0.55 116.57 123.76 2k2i h LYS 108 Ca 0.33 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2k2i h LYS 108 Cb -0.11 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 2k2i h LYS 108 CO -0.07 0.68 0.13 0.00 -2.27 0.00 0.00 179.45 177.93 2k2i h ALA 109 N 1.12 0.29 -0.75 5.00 0.00 -1.02 -2.95 119.26 120.95 2k2i h ALA 109 Ca 0.20 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.14 2k2i h ALA 109 Cb 0.11 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 2k2i h ALA 109 CO -0.03 -0.20 0.41 0.35 0.00 0.00 0.00 179.25 179.79 2k2i h PHE 110 N 0.28 0.75 -0.90 0.00 3.04 -0.48 -2.77 116.94 116.85 2k2i h PHE 110 Ca 0.08 0.03 0.10 0.00 3.98 0.00 0.00 57.97 62.16 2k2i h PHE 110 Cb 0.03 -0.23 -0.07 0.00 2.56 0.00 0.00 35.95 38.25 2k2i h PHE 110 CO -0.04 0.33 0.58 -0.22 -2.02 0.00 0.00 178.31 176.93 2k2i h LYS 111 N 0.73 0.86 -0.59 1.11 1.63 0.23 0.42 116.57 120.96 2k2i h LYS 111 Ca 0.35 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 60.00 2k2i h LYS 111 Cb 0.28 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 2k2i h LYS 111 CO -0.22 0.57 -0.01 -0.07 -3.45 0.00 0.00 179.45 176.27 2k2i h LEU 112 N 0.89 1.00 0.20 5.20 3.38 -1.33 -2.97 115.31 121.68 2k2i h LEU 112 Ca 0.42 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2k2i h LEU 112 Cb 0.41 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2k2i h LEU 112 CO -0.18 1.06 -0.09 -0.26 0.09 0.00 0.00 178.44 179.05 2k2i h PHE 113 N 0.94 -0.24 0.00 1.13 0.04 -1.32 -3.38 116.94 114.10 2k2i h PHE 113 Ca 0.17 -0.01 -0.30 0.00 2.80 0.00 0.00 57.97 60.64 2k2i h PHE 113 Cb 0.55 0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.76 2k2i h PHE 113 CO 0.04 0.09 1.38 -3.47 -0.60 0.00 0.00 178.31 175.75 2k2i n ASP 114 N -5.05 4.88 -0.33 2.17 2.03 0.14 -4.65 116.55 115.73 2k2i n ASP 114 Ca -0.09 -2.29 0.16 0.00 0.52 0.00 0.00 54.79 53.09 2k2i n ASP 114 Cb 0.23 -1.12 0.32 0.00 -0.72 0.00 0.00 41.12 39.84 2k2i n ASP 114 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2k2i h ASP 115 N 4.84 -0.32 0.22 1.67 3.58 -1.75 -2.44 116.42 122.23 2k2i h ASP 115 Ca 0.37 0.27 0.00 0.00 0.42 0.00 0.00 57.03 58.08 2k2i h ASP 115 Cb 0.65 0.43 0.00 0.00 1.72 0.00 0.00 39.33 42.13 2k2i h ASP 115 CO 0.90 -0.34 -0.21 0.47 -2.88 0.00 0.00 179.24 177.19 2k2i n ASP 116 N -5.42 1.01 -3.07 2.28 8.00 -1.26 -4.96 116.55 113.12 2k2i n ASP 116 Ca 0.25 -0.92 -0.10 0.00 0.71 0.00 0.00 54.79 54.72 2k2i n ASP 116 Cb 0.81 0.10 0.05 0.00 -0.02 0.00 0.00 41.12 42.05 2k2i n ASP 116 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2k2i n GLU 117 N -0.59 -1.84 0.00 -1.24 -0.58 -0.92 -4.99 120.64 110.48 2k2i n GLU 117 Ca 0.13 0.98 0.00 0.00 -0.42 0.00 0.00 57.16 57.85 2k2i n GLU 117 Cb 0.34 -5.50 0.00 0.00 -0.57 0.00 0.00 31.44 25.71 2k2i n GLU 117 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2k2i n THR 118 N -2.71 0.00 -1.70 2.62 5.66 -1.26 -5.05 114.28 111.85 2k2i n THR 118 Ca -0.05 -0.05 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 2k2i n THR 118 Cb 0.58 0.42 0.00 0.00 -1.55 0.00 0.00 70.33 69.77 2k2i n THR 118 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k2i n GLY 119 N 1.12 0.49 3.49 1.09 0.00 -1.26 -5.04 105.19 105.07 2k2i n GLY 119 Ca 0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 46.02 45.12 2k2i n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k2i s LYS 120 N -3.46 0.50 -0.88 1.61 1.02 -1.26 -4.21 119.74 113.05 2k2i s LYS 120 Ca 0.00 1.22 -0.25 0.00 0.02 0.00 0.00 55.97 56.96 2k2i s LYS 120 Cb 0.00 0.50 0.04 0.00 -0.52 0.00 0.00 37.83 37.85 2k2i s LYS 120 CO 0.00 -0.21 1.36 0.42 -0.92 0.00 0.00 175.35 176.01 2k2i s ILE 121 N 2.47 3.82 0.97 2.17 1.01 0.14 -4.59 121.20 127.18 2k2i s ILE 121 Ca -0.06 -0.16 -0.16 0.00 0.00 0.00 0.00 60.65 60.28 2k2i s ILE 121 Cb -0.11 -4.99 0.19 0.00 0.01 0.00 0.00 42.46 37.56 2k2i s ILE 121 CO -0.16 -1.90 1.26 -0.94 0.00 0.00 0.00 174.94 173.20 2k2i s SER 122 N 4.34 3.08 0.22 3.58 1.04 -1.26 -0.38 113.70 124.32 2k2i s SER 122 Ca 0.40 0.43 -0.09 0.00 0.48 0.00 0.00 55.95 57.18 2k2i s SER 122 Cb -0.04 -0.60 0.32 0.00 0.10 0.00 0.00 66.02 65.80 2k2i s SER 122 CO 0.03 -2.77 1.71 0.15 0.98 0.00 0.00 173.24 173.34 2k2i h PHE 123 N -1.66 0.23 -0.06 5.02 3.57 -1.94 -0.48 116.94 121.63 2k2i h PHE 123 Ca -0.45 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.10 2k2i h PHE 123 Cb 1.26 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 2k2i h PHE 123 CO -0.96 -0.03 -0.03 -0.22 -2.23 0.00 0.00 178.31 174.85 2k2i h LYS 124 N 0.28 -0.02 -0.82 1.11 3.11 -1.95 -0.67 116.57 117.61 2k2i h LYS 124 Ca 0.33 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 58.19 2k2i h LYS 124 Cb 0.50 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.69 2k2i h LYS 124 CO -0.41 -0.01 0.53 -0.91 -2.81 0.00 0.00 179.45 175.84 2k2i h ASN 125 N -0.02 0.91 -0.24 4.20 4.21 -1.71 0.22 115.58 123.15 2k2i h ASN 125 Ca 0.03 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.51 2k2i h ASN 125 Cb 0.07 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 37.04 2k2i h ASN 125 CO -0.07 0.65 0.07 0.25 -1.29 0.00 0.00 177.43 177.04 2k2i h LEU 126 N 1.07 0.36 -0.43 1.61 6.46 -0.95 -2.53 115.31 120.89 2k2i h LEU 126 Ca 0.31 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2k2i h LEU 126 Cb -0.07 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 39.76 2k2i h LEU 126 CO -0.08 0.47 0.00 0.07 -0.62 0.00 0.00 178.44 178.28 2k2i h LYS 127 N 0.22 0.00 0.19 1.25 2.10 -0.74 -1.49 116.57 118.09 2k2i h LYS 127 Ca 0.08 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.72 2k2i h LYS 127 Cb 0.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.57 2k2i h LYS 127 CO -0.00 0.00 -0.13 -0.09 -2.00 0.00 0.00 179.45 177.23 2k2i h ARG 128 N 0.00 -0.30 -0.58 0.07 1.12 -0.50 -1.86 114.38 112.32 2k2i h ARG 128 Ca 0.00 0.02 0.02 0.00 -1.11 0.00 0.00 59.98 58.91 2k2i h ARG 128 Cb 0.83 0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 30.83 2k2i h ARG 128 CO 0.00 -0.20 0.36 0.28 -3.11 0.00 0.00 179.97 177.30 2k2i h VAL 129 N -0.32 1.09 -0.74 0.20 2.07 -1.28 -1.90 116.25 115.38 2k2i h VAL 129 Ca -0.01 -0.25 0.11 0.00 0.82 0.00 0.00 66.70 67.37 2k2i h VAL 129 Cb 0.27 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 30.27 2k2i h VAL 129 CO 0.01 0.13 0.35 0.00 0.02 0.00 0.00 177.57 178.08 2k2i h ALA 130 N 1.24 1.04 0.00 1.67 0.00 -1.15 -1.21 119.26 120.85 2k2i h ALA 130 Ca 0.23 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 2k2i h ALA 130 Cb -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2k2i h ALA 130 CO -0.08 -0.08 -0.32 1.57 0.00 0.00 0.00 179.25 180.33 2k2i h LYS 131 N 0.57 0.00 -0.42 0.00 2.10 -1.10 0.16 116.57 117.89 2k2i h LYS 131 Ca 0.38 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.95 2k2i h LYS 131 Cb 0.46 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.77 2k2i h LYS 131 CO -0.31 0.32 -0.05 0.93 -2.00 0.00 0.00 179.45 178.34 2k2i h GLU 132 N 0.00 0.77 -0.21 0.07 5.08 -0.50 -3.09 114.58 116.70 2k2i h GLU 132 Ca -0.00 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 57.96 2k2i h GLU 132 Cb 0.95 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2k2i h GLU 132 CO 0.04 0.87 -0.37 -0.07 -1.00 0.00 0.00 179.01 178.48 2k2i h LEU 133 N 0.60 0.69 -0.18 1.33 -0.00 -1.23 -3.48 115.31 113.04 2k2i h LEU 133 Ca 0.11 -0.54 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2k2i h LEU 133 Cb 0.56 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 2k2i h LEU 133 CO 0.03 1.09 0.00 0.61 -0.00 0.00 0.00 178.44 180.18 2k2i n GLY 134 N 0.38 1.07 3.92 0.83 0.00 0.39 -5.10 105.19 106.68 2k2i n GLY 134 Ca -0.06 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 2k2i n GLY 134 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k2i s GLU 135 N -1.06 3.55 -1.14 1.61 0.41 -0.15 -5.01 118.70 116.91 2k2i s GLU 135 Ca 0.00 0.02 -0.14 0.00 -0.41 0.00 0.00 54.97 54.44 2k2i s GLU 135 Cb 0.00 -2.50 0.19 0.00 -1.78 0.00 0.00 34.13 30.03 2k2i s GLU 135 CO 0.00 -0.03 1.30 1.21 -0.49 0.00 0.00 175.26 177.26 2k2i s ASN 136 N -3.91 7.04 0.12 -0.19 3.04 -1.26 -4.82 114.94 114.95 2k2i s ASN 136 Ca 0.45 -2.96 -0.16 0.00 0.04 0.00 0.00 52.86 50.23 2k2i s ASN 136 Cb -0.10 -2.36 0.03 0.00 -1.54 0.00 0.00 41.25 37.28 2k2i s ASN 136 CO 0.39 -0.70 0.39 -1.48 -3.04 0.00 0.00 177.10 172.66 2k2i s LEU 137 N 1.16 0.45 0.00 3.21 2.34 -1.26 -5.12 118.68 119.46 2k2i s LEU 137 Ca 0.38 -0.32 0.00 0.00 0.06 0.00 0.00 54.13 54.26 2k2i s LEU 137 Cb -0.05 1.79 0.00 0.00 -0.56 0.00 0.00 46.19 47.37 2k2i s LEU 137 CO -0.03 -0.83 0.00 0.41 -1.06 0.00 0.00 176.35 174.83 2k2i n THR 138 N -0.17 0.00 -0.04 5.48 -1.04 -1.26 -5.05 114.28 112.20 2k2i n THR 138 Ca -0.16 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.76 2k2i n THR 138 Cb 0.63 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.11 2k2i n THR 138 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2k2i n ASP 139 N 0.00 1.10 -0.30 8.00 -0.08 -1.26 -4.83 116.55 119.18 2k2i n ASP 139 Ca 0.00 0.18 -0.02 0.00 -1.51 0.00 0.00 54.79 53.44 2k2i n ASP 139 Cb 0.00 -0.42 0.04 0.00 2.34 0.00 0.00 41.12 43.09 2k2i n ASP 139 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2k2i h GLU 140 N -0.43 -0.06 -0.04 -0.67 3.07 -1.97 0.14 114.58 114.62 2k2i h GLU 140 Ca -0.18 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.52 2k2i h GLU 140 Cb 0.92 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 2k2i h GLU 140 CO -0.11 -0.04 -0.72 0.93 -1.40 0.00 0.00 179.01 177.67 2k2i h GLU 141 N -0.06 0.25 -0.25 2.33 3.07 -1.98 0.37 114.58 118.31 2k2i h GLU 141 Ca 0.32 -0.21 -0.10 0.00 -0.50 0.00 0.00 59.36 58.87 2k2i h GLU 141 Cb 0.59 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.54 2k2i h GLU 141 CO -0.85 0.87 -0.22 -0.07 -1.40 0.00 0.00 179.01 177.33 2k2i h LEU 142 N 0.17 0.63 -0.50 1.33 -0.00 -1.64 -1.73 115.31 113.57 2k2i h LEU 142 Ca -0.02 -0.46 -0.01 0.00 -0.00 0.00 0.00 57.88 57.38 2k2i h LEU 142 Cb 1.28 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.75 2k2i h LEU 142 CO 0.11 0.96 0.25 -0.61 -0.00 0.00 0.00 178.44 179.16 2k2i h GLN 143 N 0.30 0.71 -0.09 1.13 5.75 -0.36 -0.83 115.11 121.73 2k2i h GLN 143 Ca 0.04 -0.10 0.04 0.00 -0.15 0.00 0.00 58.65 58.49 2k2i h GLN 143 Cb 0.77 -0.13 -0.05 0.00 1.07 0.00 0.00 27.48 29.15 2k2i h GLN 143 CO 0.06 0.58 -0.19 0.93 -2.65 0.00 0.00 178.83 177.55 2k2i h GLU 144 N 0.66 -0.25 -0.63 1.69 4.39 -0.30 0.19 114.58 120.33 2k2i h GLU 144 Ca 0.17 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.97 2k2i h GLU 144 Cb 0.09 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.73 2k2i h GLU 144 CO -0.02 -0.17 0.29 0.52 -1.16 0.00 0.00 179.01 178.47 2k2i h MET 145 N -0.26 0.50 -0.21 2.33 2.86 -1.00 0.29 114.93 119.43 2k2i h MET 145 Ca 0.09 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2k2i h MET 145 Cb 0.38 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2k2i h MET 145 CO -0.25 0.33 0.07 0.82 1.06 0.00 0.00 176.91 178.95 2k2i h ILE 146 N 0.52 1.18 0.00 -1.22 1.08 -0.87 -0.78 117.51 117.41 2k2i h ILE 146 Ca 0.30 -0.55 -0.08 0.00 -0.39 0.00 0.00 64.86 64.14 2k2i h ILE 146 Cb 0.31 1.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.20 2k2i h ILE 146 CO -0.25 0.18 -0.40 -0.78 -0.69 0.00 0.00 178.15 176.21 2k2i h ASP 147 N 0.17 0.00 0.03 1.72 3.58 -0.31 0.24 116.42 121.85 2k2i h ASP 147 Ca 0.07 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 2k2i h ASP 147 Cb 0.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2k2i h ASP 147 CO -0.00 0.40 -0.02 -0.08 -2.88 0.00 0.00 179.24 176.66 2k2i h GLU 148 N 0.00 -0.04 0.24 0.28 4.81 -0.45 -3.38 114.58 116.04 2k2i h GLU 148 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2k2i h GLU 148 Cb 1.01 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.40 2k2i h GLU 148 CO 0.05 0.18 -0.12 0.00 -0.73 0.00 0.00 179.01 178.40 2k2i h ALA 149 N 0.69 -0.33 -1.22 2.92 0.00 -0.58 -3.43 119.26 117.32 2k2i h ALA 149 Ca -0.00 -0.20 -0.57 0.00 0.00 0.00 0.00 54.91 54.14 2k2i h ALA 149 Cb 0.24 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.07 2k2i h ALA 149 CO 0.01 -0.46 1.30 0.34 0.00 0.00 0.00 179.25 180.44 2k2i s ASP 150 N -5.23 6.34 0.23 0.00 -1.08 0.79 -4.82 116.67 112.89 2k2i s ASP 150 Ca -0.14 -1.00 0.19 0.00 -0.52 0.00 0.00 52.55 51.08 2k2i s ASP 150 Cb 0.02 -2.57 0.04 0.00 -1.46 0.00 0.00 42.92 38.95 2k2i s ASP 150 CO 0.53 -1.67 1.21 0.03 0.52 0.00 0.00 175.17 175.79 2k2i h ARG 151 N 9.93 0.00 -0.08 4.34 2.47 -1.88 -3.15 114.38 126.01 2k2i h ARG 151 Ca -0.01 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.47 2k2i h ARG 151 Cb 1.03 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.36 2k2i h ARG 151 CO 1.36 0.24 -0.88 0.22 0.56 0.00 0.00 179.97 181.47 2k2i h ASP 152 N 0.00 0.91 0.00 7.04 3.58 -2.00 -3.49 116.42 122.47 2k2i h ASP 152 Ca -0.05 -0.68 0.00 0.00 0.42 0.00 0.00 57.03 56.72 2k2i h ASP 152 Cb 1.29 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.06 2k2i h ASP 152 CO 0.03 1.46 0.00 0.61 -2.88 0.00 0.00 179.24 178.47 2k2i n GLY 153 N 0.89 0.84 0.08 -0.78 0.00 -1.19 -5.04 105.19 99.98 2k2i n GLY 153 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 2k2i n GLY 153 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k2i h ASP 154 N 0.00 0.00 0.00 1.61 1.82 -1.94 -3.49 116.42 114.42 2k2i h ASP 154 Ca 0.00 -0.51 0.00 0.00 -0.39 0.00 0.00 57.03 56.13 2k2i h ASP 154 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 2k2i h ASP 154 CO 0.00 1.09 0.00 0.61 -1.61 0.00 0.00 179.24 179.33 2k2i n GLY 155 N 1.56 1.63 3.25 -0.78 0.00 -1.26 -5.08 105.19 104.51 2k2i n GLY 155 Ca -0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.88 2k2i n GLY 155 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k2i s GLU 156 N -0.07 0.12 -0.31 1.61 -1.05 -1.26 -4.24 118.70 113.49 2k2i s GLU 156 Ca 0.00 0.30 -0.11 0.00 -0.15 0.00 0.00 54.97 55.01 2k2i s GLU 156 Cb 0.00 0.18 -0.02 0.00 -0.44 0.00 0.00 34.13 33.85 2k2i s GLU 156 CO 0.00 -0.04 0.18 0.08 0.95 0.00 0.00 175.26 176.43 2k2i s VAL 157 N 2.22 4.95 0.84 1.83 1.01 0.49 -4.64 120.40 127.10 2k2i s VAL 157 Ca -0.01 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 2k2i s VAL 157 Cb -0.03 -3.48 0.10 0.00 0.00 0.00 0.00 36.38 32.97 2k2i s VAL 157 CO -0.16 0.10 1.14 -0.94 0.00 0.00 0.00 175.10 175.23 2k2i s SER 158 N 1.68 4.14 0.13 3.32 1.04 -1.26 0.23 113.70 122.98 2k2i s SER 158 Ca 0.06 1.00 -0.14 0.00 0.48 0.00 0.00 55.95 57.35 2k2i s SER 158 Cb -0.17 -1.61 -0.00 0.00 0.10 0.00 0.00 66.02 64.34 2k2i s SER 158 CO 0.08 -2.16 1.60 1.05 0.98 0.00 0.00 173.24 174.79 2k2i h GLU 159 N -1.22 0.75 -0.77 4.02 -0.00 -1.98 0.49 114.58 115.86 2k2i h GLU 159 Ca -0.48 -0.22 0.03 0.00 -0.00 0.00 0.00 59.36 58.68 2k2i h GLU 159 Cb 1.31 -0.08 -0.04 0.00 -0.00 0.00 0.00 28.75 29.94 2k2i h GLU 159 CO 0.63 0.81 0.51 -0.56 -0.00 0.00 0.00 179.01 180.39 2k2i h GLN 160 N 0.60 0.95 -0.12 1.06 3.07 -1.95 -0.09 115.11 118.63 2k2i h GLN 160 Ca 0.13 -0.06 -0.18 0.00 0.09 0.00 0.00 58.65 58.63 2k2i h GLN 160 Cb 0.45 -0.21 0.01 0.00 0.08 0.00 0.00 27.48 27.80 2k2i h GLN 160 CO 0.02 0.63 -0.62 1.49 0.09 0.00 0.00 178.83 180.44 2k2i h GLU 161 N 0.98 0.63 -0.61 0.06 4.57 -1.81 -2.64 114.58 115.75 2k2i h GLU 161 Ca 0.30 -0.52 0.11 0.00 -1.18 0.00 0.00 59.36 58.07 2k2i h GLU 161 Cb -0.01 0.11 -0.08 0.00 -0.16 0.00 0.00 28.75 28.61 2k2i h GLU 161 CO -0.08 1.14 0.16 0.35 -1.18 0.00 0.00 179.01 179.40 2k2i h PHE 162 N 0.27 0.26 -0.75 0.92 3.57 0.21 0.30 116.94 121.72 2k2i h PHE 162 Ca -0.04 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.53 2k2i h PHE 162 Cb 1.26 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.94 2k2i h PHE 162 CO 0.10 -0.00 0.50 -0.07 -2.23 0.00 0.00 178.31 176.61 2k2i h LEU 163 N 0.30 0.77 -0.00 0.59 3.38 -1.02 -0.47 115.31 118.85 2k2i h LEU 163 Ca 0.32 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 2k2i h LEU 163 Cb 0.46 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2k2i h LEU 163 CO -0.38 0.52 -0.00 0.03 0.09 0.00 0.00 178.44 178.69 2k2i h ARG 164 N 0.88 0.01 0.00 1.13 2.47 -0.61 -3.27 114.38 114.99 2k2i h ARG 164 Ca 0.31 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 2k2i h ARG 164 Cb 0.11 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 2k2i h ARG 164 CO -0.09 0.46 0.00 0.44 0.56 0.00 0.00 179.97 181.34 2k2i n ILE 165 N -4.87 0.56 0.01 2.04 -6.64 0.84 0.13 119.36 111.43 2k2i n ILE 165 Ca -0.08 -0.03 -0.19 0.00 -1.77 0.00 0.00 62.75 60.68 2k2i n ILE 165 Cb 0.24 -0.75 -0.09 0.00 -1.44 0.00 0.00 39.64 37.60 2k2i n ILE 165 CO 0.00 0.00 0.00 0.24 -1.77 0.00 0.00 176.55 175.02 2k2i h MET 166 N 0.00 0.75 0.09 6.28 2.86 -1.18 -3.31 114.93 120.43 2k2i h MET 166 Ca 0.00 -0.71 -0.26 0.00 -2.06 0.00 0.00 59.70 56.68 2k2i h MET 166 Cb 0.53 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 2k2i h MET 166 CO 0.00 1.29 -1.18 1.57 1.06 0.00 0.00 176.91 179.66 2k2i h LYS 167 N 0.47 0.19 0.00 1.72 5.09 -1.48 -3.48 116.57 119.08 2k2i h LYS 167 Ca -0.09 -0.33 0.00 0.00 0.09 0.00 0.00 60.65 60.32 2k2i h LYS 167 Cb 1.55 0.12 0.00 0.00 0.10 0.00 0.00 32.23 34.00 2k2i h LYS 167 CO 0.18 1.15 0.00 1.63 -2.09 0.00 0.00 179.45 180.33 2k2i n LYS 168 N -3.48 0.00 -1.18 0.07 5.02 0.12 -4.78 118.16 113.93 2k2i n LYS 168 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2k2i n LYS 168 Cb 1.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 36.01 2k2i n LYS 168 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2k2i n THR 169 N 0.00 -2.36 -2.50 -0.18 -1.04 -1.26 -4.85 114.28 102.09 2k2i n THR 169 Ca 0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.81 2k2i n THR 169 Cb 0.00 -2.97 0.01 0.00 -1.82 0.00 0.00 70.33 65.55 2k2i n THR 169 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2k2i n SER 170 N 0.00 3.68 -2.04 8.00 2.88 -1.26 -4.77 113.62 120.11 2k2i n SER 170 Ca 0.00 -3.36 -0.04 0.00 -1.33 0.00 0.00 58.87 54.14 2k2i n SER 170 Cb 0.00 -0.47 0.02 0.00 -0.75 0.00 0.00 64.21 63.01 2k2i n SER 170 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2k2i n LEU 171 N -0.40 -3.20 0.00 2.46 7.94 -1.26 -5.35 117.00 117.20 2k2i n LEU 171 Ca 0.30 -0.19 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 2k2i n LEU 171 Cb 0.74 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 43.29 2k2i n LEU 171 CO 0.31 -0.02 0.00 0.00 -1.11 0.00 0.00 177.39 176.56