#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 4.69 0.00 -0.78 0.74 -1.26 -4.95 119.66 118.10 2k2i s GLN 95 Ca 0.00 1.56 0.00 0.00 0.05 0.00 0.00 55.36 56.97 2k2i s GLN 95 Cb 0.00 -3.32 0.00 0.00 1.10 0.00 0.00 33.01 30.79 2k2i s GLN 95 CO 0.00 0.23 0.00 1.63 -0.55 0.00 0.00 175.29 176.60 2k2i n LYS 96 N 2.33 0.00 -2.97 1.67 5.02 -1.26 -5.06 118.16 117.89 2k2i n LYS 96 Ca 0.01 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.87 2k2i n LYS 96 Cb 0.48 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.44 2k2i n LYS 96 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2k2i s MET 97 N 0.14 3.24 0.15 1.97 0.00 -1.26 -4.87 119.30 118.67 2k2i s MET 97 Ca 0.00 -0.52 0.23 0.00 0.00 0.00 0.00 55.69 55.40 2k2i s MET 97 Cb 0.00 -4.07 0.21 0.00 0.00 0.00 0.00 34.83 30.97 2k2i s MET 97 CO 0.00 -1.37 1.21 0.66 0.00 0.00 0.00 175.02 175.52 2k2i h SER 98 N 9.18 0.00 -4.29 1.11 4.64 -2.02 -3.48 113.55 118.69 2k2i h SER 98 Ca -0.27 -0.15 -0.47 0.00 -0.47 0.00 0.00 61.79 60.43 2k2i h SER 98 Cb 1.08 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.26 2k2i h SER 98 CO 1.04 0.08 0.35 -1.61 -0.87 0.00 0.00 176.83 175.81 2k2i s GLU 99 N -3.23 2.30 0.00 4.77 2.02 -1.26 -5.00 118.70 118.30 2k2i s GLU 99 Ca 0.04 0.09 0.11 0.00 0.02 0.00 0.00 54.97 55.23 2k2i s GLU 99 Cb 0.12 -2.05 0.08 0.00 0.10 0.00 0.00 34.13 32.38 2k2i s GLU 99 CO 0.75 -1.30 0.83 1.63 0.02 0.00 0.00 175.26 177.18 2k2i n LYS 100 N -3.09 0.64 -0.58 1.61 5.02 -1.26 -4.76 118.16 115.74 2k2i n LYS 100 Ca 0.07 -1.10 0.05 0.00 -2.02 0.00 0.00 58.31 55.32 2k2i n LYS 100 Cb 0.60 -1.20 0.27 0.00 -0.02 0.00 0.00 35.03 34.68 2k2i n LYS 100 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k2i n ASP 101 N 0.54 4.08 -0.01 4.39 9.92 -1.26 -2.48 116.55 131.73 2k2i n ASP 101 Ca 0.06 -2.57 -0.02 0.00 -0.53 0.00 0.00 54.79 51.73 2k2i n ASP 101 Cb 0.27 -0.60 0.24 0.00 -0.64 0.00 0.00 41.12 40.38 2k2i n ASP 101 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 2k2i h THR 102 N 2.75 1.23 -0.42 -3.53 1.35 -1.98 -0.05 112.91 112.25 2k2i h THR 102 Ca 0.00 -1.01 -0.00 0.00 -0.55 0.00 0.00 66.41 64.84 2k2i h THR 102 Cb 1.43 1.10 -0.02 0.00 -1.73 0.00 0.00 68.15 68.93 2k2i h THR 102 CO 0.30 0.34 0.25 0.50 -0.25 0.00 0.00 175.52 176.66 2k2i h LYS 103 N 0.50 0.57 -0.08 4.72 3.11 -1.90 0.22 116.57 123.70 2k2i h LYS 103 Ca 0.09 -0.05 0.03 0.00 -2.81 0.00 0.00 60.65 57.91 2k2i h LYS 103 Cb 0.49 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.56 2k2i h LYS 103 CO 0.03 0.42 -0.11 1.49 -2.81 0.00 0.00 179.45 178.47 2k2i h GLU 104 N 0.55 -0.15 -0.19 1.90 4.57 -1.74 0.23 114.58 119.76 2k2i h GLU 104 Ca 0.15 0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.39 2k2i h GLU 104 Cb 0.00 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.56 2k2i h GLU 104 CO -0.03 -0.10 -0.33 1.49 -1.18 0.00 0.00 179.01 178.86 2k2i h GLU 105 N -0.15 -0.36 -0.51 1.92 4.81 -0.74 0.46 114.58 120.00 2k2i h GLU 105 Ca 0.07 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 2k2i h GLU 105 Cb 0.25 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 2k2i h GLU 105 CO -0.18 -0.24 0.28 0.82 -0.73 0.00 0.00 179.01 178.96 2k2i h ILE 106 N -0.38 1.18 -0.28 2.32 2.04 -0.37 0.26 117.51 122.29 2k2i h ILE 106 Ca 0.11 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2k2i h ILE 106 Cb 0.55 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2k2i h ILE 106 CO -0.40 0.19 0.18 0.25 0.00 0.00 0.00 178.15 178.37 2k2i h LEU 107 N 0.68 0.33 -0.41 1.44 5.85 -0.32 0.24 115.31 123.12 2k2i h LEU 107 Ca 0.18 -0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.69 2k2i h LEU 107 Cb 0.06 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2k2i h LEU 107 CO -0.03 0.26 -0.76 0.11 -0.34 0.00 0.00 178.44 177.68 2k2i h LYS 108 N 0.36 0.28 -0.05 1.25 6.56 -0.73 -1.64 116.57 122.60 2k2i h LYS 108 Ca 0.10 -0.25 0.01 0.00 -1.06 0.00 0.00 60.65 59.45 2k2i h LYS 108 Cb -0.01 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.69 2k2i h LYS 108 CO -0.02 0.91 -0.02 0.00 -2.06 0.00 0.00 179.45 178.27 2k2i h ALA 109 N 1.01 0.03 -0.64 3.86 0.00 -0.37 -1.96 119.26 121.19 2k2i h ALA 109 Ca -0.03 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.03 2k2i h ALA 109 Cb 1.34 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.07 2k2i h ALA 109 CO 0.12 -0.50 0.07 0.35 0.00 0.00 0.00 179.25 179.30 2k2i h PHE 110 N -0.01 0.09 0.00 0.00 3.04 -0.35 -1.37 116.94 118.35 2k2i h PHE 110 Ca 0.03 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 61.97 2k2i h PHE 110 Cb 0.04 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.61 2k2i h PHE 110 CO -0.12 -0.12 -0.21 -0.22 -2.02 0.00 0.00 178.31 175.63 2k2i h LYS 111 N 0.18 0.00 0.00 1.11 3.64 -1.11 0.16 116.57 120.55 2k2i h LYS 111 Ca 0.34 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.67 2k2i h LYS 111 Cb 0.55 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2k2i h LYS 111 CO -0.49 0.21 -0.24 -0.07 -2.27 0.00 0.00 179.45 176.59 2k2i h LEU 112 N 0.00 0.00 0.00 5.20 3.38 -0.46 -3.12 115.31 120.31 2k2i h LEU 112 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2k2i h LEU 112 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 2k2i h LEU 112 CO 0.03 0.24 -0.15 -0.26 0.09 0.00 0.00 178.44 178.38 2k2i h PHE 113 N 0.00 0.00 -0.53 1.13 -1.00 -1.13 -3.43 116.94 111.98 2k2i h PHE 113 Ca -0.00 0.00 -0.57 0.00 2.81 0.00 0.00 57.97 60.21 2k2i h PHE 113 Cb 0.71 0.00 -0.05 0.00 3.61 0.00 0.00 35.95 40.22 2k2i h PHE 113 CO 0.00 0.89 1.97 -3.47 -1.61 0.00 0.00 178.31 176.09 2k2i n ASP 114 N -4.61 3.94 -0.22 2.17 2.03 0.50 -4.71 116.55 115.65 2k2i n ASP 114 Ca -0.11 -2.81 0.02 0.00 0.52 0.00 0.00 54.79 52.41 2k2i n ASP 114 Cb 0.43 -1.67 0.26 0.00 -0.72 0.00 0.00 41.12 39.42 2k2i n ASP 114 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2k2i h ASP 115 N 8.10 0.83 1.61 1.67 3.32 -1.83 -3.13 116.42 126.98 2k2i h ASP 115 Ca 0.39 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.42 2k2i h ASP 115 Cb 0.84 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.19 2k2i h ASP 115 CO 1.49 0.59 0.00 0.44 -1.72 0.00 0.00 179.24 180.04 2k2i h ASP 116 N 0.97 0.00 -4.59 6.45 3.32 -1.93 -3.47 116.42 117.17 2k2i h ASP 116 Ca 0.29 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.99 2k2i h ASP 116 Cb -0.02 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.62 2k2i h ASP 116 CO -0.08 0.00 -0.56 -0.62 -1.72 0.00 0.00 179.24 176.26 2k2i n GLU 117 N -2.83 -5.64 0.04 3.56 1.02 -1.18 -4.93 120.64 110.68 2k2i n GLU 117 Ca 0.04 0.76 0.11 0.00 -0.02 0.00 0.00 57.16 58.05 2k2i n GLU 117 Cb 0.44 -5.44 -0.10 0.00 -0.02 0.00 0.00 31.44 26.33 2k2i n GLU 117 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2k2i n THR 118 N -4.53 0.30 -0.28 2.62 5.66 -1.26 -4.96 114.28 111.83 2k2i n THR 118 Ca -0.05 -0.53 0.00 0.00 -3.05 0.00 0.00 64.05 60.43 2k2i n THR 118 Cb 0.58 -0.16 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 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 1.23 0.85 3.01 1.09 0.00 -1.26 -5.06 105.19 105.05 2k2i n GLY 119 Ca -0.03 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.68 0.49 -0.47 1.61 -0.14 -1.26 -4.29 119.74 115.00 2k2i s LYS 120 Ca 0.00 -0.42 -0.19 0.00 -1.36 0.00 0.00 55.97 54.00 2k2i s LYS 120 Cb 0.00 -0.39 0.04 0.00 -1.68 0.00 0.00 37.83 35.80 2k2i s LYS 120 CO 0.00 0.09 0.58 0.42 -0.76 0.00 0.00 175.35 175.68 2k2i s ILE 121 N -0.62 4.93 0.72 2.17 1.01 0.19 -4.63 121.20 124.95 2k2i s ILE 121 Ca -0.03 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.20 2k2i s ILE 121 Cb -0.05 -4.21 0.07 0.00 0.01 0.00 0.00 42.46 38.27 2k2i s ILE 121 CO 0.00 -0.67 1.03 -0.94 0.00 0.00 0.00 174.94 174.36 2k2i s SER 122 N 2.34 4.73 0.24 3.58 1.04 -1.26 -2.09 113.70 122.28 2k2i s SER 122 Ca 0.15 0.42 -0.09 0.00 0.48 0.00 0.00 55.95 56.92 2k2i s SER 122 Cb -0.18 -1.04 0.38 0.00 0.10 0.00 0.00 66.02 65.28 2k2i s SER 122 CO 0.14 -1.65 1.62 0.15 0.98 0.00 0.00 173.24 174.47 2k2i h PHE 123 N -0.64 -0.23 -0.39 5.02 3.04 -1.98 0.14 116.94 121.91 2k2i h PHE 123 Ca -0.44 0.06 0.02 0.00 3.98 0.00 0.00 57.97 61.59 2k2i h PHE 123 Cb 1.31 0.22 -0.03 0.00 2.56 0.00 0.00 35.95 40.01 2k2i h PHE 123 CO 0.26 -0.29 0.22 -0.22 -2.02 0.00 0.00 178.31 176.26 2k2i h LYS 124 N 0.04 0.43 -0.60 1.11 3.11 -1.98 0.14 116.57 118.83 2k2i h LYS 124 Ca 0.39 -0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 58.16 2k2i h LYS 124 Cb 0.65 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.76 2k2i h LYS 124 CO -0.73 0.28 0.18 -0.91 -2.81 0.00 0.00 179.45 175.47 2k2i h ASN 125 N 0.44 0.88 -0.02 4.20 4.21 -1.66 0.11 115.58 123.74 2k2i h ASN 125 Ca 0.16 -0.21 0.03 0.00 1.21 0.00 0.00 56.30 57.48 2k2i h ASN 125 Cb 0.02 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 36.96 2k2i h ASN 125 CO -0.08 0.86 -0.18 0.25 -1.29 0.00 0.00 177.43 176.99 2k2i h LEU 126 N 0.85 -0.53 -1.07 1.61 7.12 -0.48 -0.64 115.31 122.18 2k2i h LEU 126 Ca 0.19 0.08 -0.09 0.00 0.13 0.00 0.00 57.88 58.19 2k2i h LEU 126 Cb 0.30 0.22 -0.01 0.00 -0.53 0.00 0.00 40.66 40.64 2k2i h LEU 126 CO -0.00 -0.24 -0.35 0.50 -0.13 0.00 0.00 178.44 178.21 2k2i h LYS 127 N -0.28 0.20 -0.62 1.25 3.64 -0.55 -0.68 116.57 119.53 2k2i h LYS 127 Ca 0.06 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2k2i h LYS 127 Cb 0.36 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 2k2i h LYS 127 CO -0.18 0.54 0.24 -0.09 -2.27 0.00 0.00 179.45 177.68 2k2i h ARG 128 N 0.17 0.90 -0.16 1.90 1.12 -0.55 -1.27 114.38 116.50 2k2i h ARG 128 Ca 0.02 -0.15 -0.03 0.00 -1.11 0.00 0.00 59.98 58.72 2k2i h ARG 128 Cb 0.71 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.51 2k2i h ARG 128 CO 0.05 0.75 -0.01 0.28 -3.11 0.00 0.00 179.97 177.93 2k2i h VAL 129 N 0.89 1.26 -0.72 0.20 2.07 -0.68 -2.38 116.25 116.89 2k2i h VAL 129 Ca 0.21 -0.89 0.13 0.00 0.82 0.00 0.00 66.70 66.97 2k2i h VAL 129 Cb 0.18 1.54 -0.09 0.00 -1.52 0.00 0.00 31.29 31.40 2k2i h VAL 129 CO -0.02 0.26 0.28 0.00 0.02 0.00 0.00 177.57 178.12 2k2i h ALA 130 N 0.75 0.99 0.00 1.67 0.00 -0.83 -0.38 119.26 121.46 2k2i h ALA 130 Ca 0.04 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2k2i h ALA 130 Cb 0.40 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2k2i h ALA 130 CO 0.01 -0.20 0.00 0.36 0.00 0.00 0.00 179.25 179.42 2k2i n LYS 131 N -5.00 0.25 -0.03 0.00 2.85 -0.50 -0.77 118.16 114.95 2k2i n LYS 131 Ca 0.13 0.27 -0.16 0.00 -1.05 0.00 0.00 58.31 57.51 2k2i n LYS 131 Cb 0.38 -1.83 -0.08 0.00 -0.65 0.00 0.00 35.03 32.84 2k2i n LYS 131 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2k2i h GLU 132 N 0.00 0.48 -0.34 -1.58 4.81 -0.55 -3.18 114.58 114.22 2k2i h GLU 132 Ca 0.00 -0.38 -0.12 0.00 -0.13 0.00 0.00 59.36 58.73 2k2i h GLU 132 Cb 0.64 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 2k2i h GLU 132 CO 0.00 1.01 -0.29 -0.07 -0.73 0.00 0.00 179.01 178.93 2k2i h LEU 133 N 0.07 0.75 0.00 1.64 -0.00 -1.27 -3.47 115.31 113.02 2k2i h LEU 133 Ca -0.02 -0.29 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 2k2i h LEU 133 Cb 1.08 -0.21 0.00 0.00 -0.00 0.00 0.00 40.66 41.53 2k2i h LEU 133 CO 0.09 0.99 0.00 0.61 -0.00 0.00 0.00 178.44 180.13 2k2i n GLY 134 N -0.15 1.48 3.67 0.83 0.00 0.05 -5.08 105.19 105.99 2k2i n GLY 134 Ca -0.01 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.56 4.24 -1.28 1.61 2.02 -0.47 -4.98 118.70 119.28 2k2i s GLU 135 Ca 0.00 0.60 -0.12 0.00 0.02 0.00 0.00 54.97 55.47 2k2i s GLU 135 Cb 0.00 -3.56 0.14 0.00 0.10 0.00 0.00 34.13 30.82 2k2i s GLU 135 CO 0.00 -0.18 1.76 0.09 0.02 0.00 0.00 175.26 176.95 2k2i n ASN 136 N 4.82 4.97 -4.79 -0.19 3.02 -1.26 -4.46 115.26 117.36 2k2i n ASN 136 Ca -0.02 -3.01 -0.36 0.00 -0.03 0.00 0.00 54.58 51.15 2k2i n ASN 136 Cb 0.50 -1.56 -0.06 0.00 -0.61 0.00 0.00 39.78 38.04 2k2i n ASN 136 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2k2i s LEU 137 N 1.19 4.27 -0.39 3.41 1.02 -1.26 -5.00 118.68 121.92 2k2i s LEU 137 Ca 0.43 1.76 0.02 0.00 0.02 0.00 0.00 54.13 56.36 2k2i s LEU 137 Cb 0.05 -4.05 0.47 0.00 0.02 0.00 0.00 46.19 42.68 2k2i s LEU 137 CO 0.00 -0.11 1.80 0.35 0.02 0.00 0.00 176.35 178.41 2k2i n THR 138 N 0.37 2.86 0.00 5.49 -2.24 -1.26 -4.93 114.28 114.56 2k2i n THR 138 Ca 0.02 -1.73 0.00 0.00 -2.27 0.00 0.00 64.05 60.07 2k2i n THR 138 Cb 0.51 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 2k2i n THR 138 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2k2i n ASP 139 N -0.66 0.00 -0.21 3.42 9.92 -1.26 -4.57 116.55 123.19 2k2i n ASP 139 Ca 0.47 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.66 2k2i n ASP 139 Cb 1.19 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 41.75 2k2i n ASP 139 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2k2i h GLU 140 N 0.00 1.05 0.00 -1.24 5.08 -1.99 -0.49 114.58 117.00 2k2i h GLU 140 Ca 0.00 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 2k2i h GLU 140 Cb 0.00 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2k2i h GLU 140 CO 0.00 0.95 -0.36 1.05 -1.00 0.00 0.00 179.01 179.66 2k2i h GLU 141 N 0.99 0.00 -0.55 2.33 9.09 -1.97 0.19 114.58 124.67 2k2i h GLU 141 Ca 0.20 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.57 2k2i h GLU 141 Cb 0.40 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.48 2k2i h GLU 141 CO 0.01 0.36 0.20 -0.07 0.05 0.00 0.00 179.01 179.56 2k2i h LEU 142 N 0.00 0.77 -0.05 3.06 -0.00 -1.81 0.29 115.31 117.57 2k2i h LEU 142 Ca -0.00 -0.18 -0.00 0.00 -0.00 0.00 0.00 57.88 57.69 2k2i h LEU 142 Cb 1.01 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 41.46 2k2i h LEU 142 CO 0.05 0.75 0.03 -0.61 -0.00 0.00 0.00 178.44 178.65 2k2i h GLN 143 N 0.75 0.07 -0.37 1.13 4.15 -0.59 -2.13 115.11 118.13 2k2i h GLN 143 Ca 0.18 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.67 2k2i h GLN 143 Cb 0.23 -0.01 -0.08 0.00 0.21 0.00 0.00 27.48 27.82 2k2i h GLN 143 CO -0.01 0.13 -0.18 0.93 -1.93 0.00 0.00 178.83 177.76 2k2i h GLU 144 N -0.01 -0.12 -0.86 1.69 5.08 -0.52 0.33 114.58 120.18 2k2i h GLU 144 Ca 0.02 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 2k2i h GLU 144 Cb 0.08 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 2k2i h GLU 144 CO -0.00 -0.08 0.52 0.52 -1.00 0.00 0.00 179.01 178.97 2k2i h MET 145 N -0.12 0.86 -0.14 2.33 2.86 -0.80 0.21 114.93 120.12 2k2i h MET 145 Ca 0.18 -0.05 -0.20 0.00 -2.06 0.00 0.00 59.70 57.57 2k2i h MET 145 Cb 0.40 -0.19 0.01 0.00 0.06 0.00 0.00 31.60 31.88 2k2i h MET 145 CO -0.44 0.57 -0.70 0.82 1.06 0.00 0.00 176.91 178.22 2k2i h ILE 146 N 0.89 1.30 -0.79 -1.22 1.08 -0.87 -2.25 117.51 115.65 2k2i h ILE 146 Ca 0.40 -1.93 -0.03 0.00 -0.39 0.00 0.00 64.86 62.91 2k2i h ILE 146 Cb 0.30 2.03 -0.04 0.00 -3.07 0.00 0.00 36.82 36.05 2k2i h ILE 146 CO -0.22 0.60 0.37 0.44 -0.69 0.00 0.00 178.15 178.66 2k2i h ASP 147 N 0.44 1.03 -0.02 1.72 3.32 0.15 -2.05 116.42 121.01 2k2i h ASP 147 Ca -0.05 -0.14 0.03 0.00 0.02 0.00 0.00 57.03 56.90 2k2i h ASP 147 Cb 1.34 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 40.57 2k2i h ASP 147 CO 0.15 0.88 -0.29 -0.08 -1.72 0.00 0.00 179.24 178.18 2k2i h GLU 148 N 1.11 -0.41 -2.08 3.56 4.57 -0.67 -3.21 114.58 117.45 2k2i h GLU 148 Ca 0.27 0.03 -0.30 0.00 -1.18 0.00 0.00 59.36 58.18 2k2i h GLU 148 Cb 0.13 0.09 -0.09 0.00 -0.16 0.00 0.00 28.75 28.72 2k2i h GLU 148 CO -0.03 -0.27 0.11 0.00 -1.18 0.00 0.00 179.01 177.64 2k2i n ALA 149 N -2.73 6.48 -1.18 2.92 0.00 -0.78 -4.77 120.51 120.46 2k2i n ALA 149 Ca -0.05 -2.26 0.00 0.00 0.00 0.00 0.00 53.44 51.13 2k2i n ALA 149 Cb 0.31 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.40 2k2i n ALA 149 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k2i n ASP 150 N 2.19 -1.57 -0.80 0.00 -0.08 -1.19 -4.48 116.55 110.62 2k2i n ASP 150 Ca 0.47 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.87 2k2i n ASP 150 Cb 0.78 -0.79 0.28 0.00 2.34 0.00 0.00 41.12 43.73 2k2i n ASP 150 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2k2i n ARG 151 N 0.06 2.08 0.12 -0.67 5.12 -1.25 -1.67 116.66 120.46 2k2i n ARG 151 Ca 0.00 -1.59 -0.23 0.00 -1.93 0.00 0.00 57.85 54.10 2k2i n ARG 151 Cb 0.00 -1.47 -0.15 0.00 -1.16 0.00 0.00 32.46 29.68 2k2i n ARG 151 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2k2i h ASP 152 N 3.65 0.72 0.00 0.55 3.58 -1.92 -3.42 116.42 119.58 2k2i h ASP 152 Ca 0.00 -0.82 0.00 0.00 0.42 0.00 0.00 57.03 56.63 2k2i h ASP 152 Cb 0.78 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.60 2k2i h ASP 152 CO 0.00 1.65 -0.41 0.61 -2.88 0.00 0.00 179.24 178.22 2k2i n GLY 153 N 1.71 -0.02 0.13 -0.78 0.00 -1.26 -4.94 105.19 100.03 2k2i n GLY 153 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 2k2i n GLY 153 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k2i n ASP 154 N -2.80 2.05 0.00 1.61 2.03 -1.26 -5.01 116.55 113.16 2k2i n ASP 154 Ca 0.00 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2k2i n ASP 154 Cb 0.20 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 2k2i n ASP 154 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k2i n GLY 155 N 1.97 2.96 0.00 0.27 0.00 -0.67 -4.89 105.19 104.82 2k2i n GLY 155 Ca -0.38 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 44.87 2k2i n GLY 155 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k2i n GLU 156 N 0.00 3.67 -3.94 1.61 -0.58 -1.26 -4.50 120.64 115.64 2k2i n GLU 156 Ca 0.00 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.40 2k2i n GLU 156 Cb 0.00 0.00 -0.14 0.00 -0.57 0.00 0.00 31.44 30.73 2k2i n GLU 156 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2k2i s VAL 157 N 1.22 2.78 0.51 2.62 1.01 -0.89 -4.83 120.40 122.82 2k2i s VAL 157 Ca 0.00 -1.63 -0.04 0.00 0.00 0.00 0.00 61.98 60.31 2k2i s VAL 157 Cb 0.00 -2.69 0.11 0.00 0.00 0.00 0.00 36.38 33.80 2k2i s VAL 157 CO 0.00 -0.22 0.70 -1.54 0.00 0.00 0.00 175.10 174.04 2k2i n SER 158 N 4.54 0.55 0.12 3.32 3.41 -1.26 0.53 113.62 124.83 2k2i n SER 158 Ca -0.10 -1.56 0.01 0.00 -0.26 0.00 0.00 58.87 56.96 2k2i n SER 158 Cb 0.43 -0.49 0.32 0.00 -0.26 0.00 0.00 64.21 64.21 2k2i n SER 158 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2k2i h GLU 159 N 0.00 0.20 -0.51 4.33 4.11 -1.99 -0.46 114.58 120.26 2k2i h GLU 159 Ca -0.23 -0.07 -0.08 0.00 0.07 0.00 0.00 59.36 59.05 2k2i h GLU 159 Cb 0.75 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 2k2i h GLU 159 CO 0.21 0.47 -0.02 -0.56 0.07 0.00 0.00 179.01 179.18 2k2i h GLN 160 N 0.18 0.87 -0.42 1.06 3.07 -1.96 0.46 115.11 118.37 2k2i h GLN 160 Ca 0.03 -0.25 -0.10 0.00 0.09 0.00 0.00 58.65 58.42 2k2i h GLN 160 Cb 0.59 -0.09 -0.01 0.00 0.08 0.00 0.00 27.48 28.04 2k2i h GLN 160 CO 0.04 0.88 -0.12 0.93 0.09 0.00 0.00 178.83 180.65 2k2i h GLU 161 N 0.80 0.82 -0.46 0.06 3.07 -1.77 0.22 114.58 117.32 2k2i h GLU 161 Ca 0.15 -0.32 -0.04 0.00 -0.50 0.00 0.00 59.36 58.65 2k2i h GLU 161 Cb 0.50 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 2k2i h GLU 161 CO 0.03 0.94 0.12 0.35 -1.40 0.00 0.00 179.01 179.04 2k2i h PHE 162 N 0.64 0.77 -0.51 4.33 3.57 -0.90 0.21 116.94 125.04 2k2i h PHE 162 Ca 0.10 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.56 2k2i h PHE 162 Cb 0.65 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 2k2i h PHE 162 CO 0.05 0.70 0.25 -0.07 -2.23 0.00 0.00 178.31 177.01 2k2i h LEU 163 N 0.61 0.35 -0.45 0.59 3.38 0.04 0.42 115.31 120.25 2k2i h LEU 163 Ca 0.14 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.18 2k2i h LEU 163 Cb 0.32 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2k2i h LEU 163 CO 0.00 0.24 0.23 0.03 0.09 0.00 0.00 178.44 179.03 2k2i h ARG 164 N 0.49 0.45 -0.61 1.13 3.08 -0.22 0.41 114.38 119.11 2k2i h ARG 164 Ca 0.23 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.21 2k2i h ARG 164 Cb 0.15 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 2k2i h ARG 164 CO -0.17 0.30 0.22 0.97 -1.07 0.00 0.00 179.97 180.21 2k2i h ILE 165 N 0.46 1.22 -0.06 2.04 -0.00 -0.22 -0.98 117.51 119.97 2k2i h ILE 165 Ca 0.19 -0.74 -0.10 0.00 -0.00 0.00 0.00 64.86 64.21 2k2i h ILE 165 Cb 0.09 0.53 0.01 0.00 -0.00 0.00 0.00 36.82 37.44 2k2i h ILE 165 CO -0.13 0.29 -0.37 0.24 -0.00 0.00 0.00 178.15 178.18 2k2i h MET 166 N 0.89 0.36 0.00 2.19 2.86 -0.69 -3.27 114.93 117.25 2k2i h MET 166 Ca 0.20 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2k2i h MET 166 Cb 0.22 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.94 2k2i h MET 166 CO -0.01 0.96 0.00 1.63 1.06 0.00 0.00 176.91 180.54 2k2i n LYS 167 N -4.38 0.17 -0.28 1.72 4.76 0.14 -2.05 118.16 118.25 2k2i n LYS 167 Ca -0.09 0.14 0.08 0.00 -2.87 0.00 0.00 58.31 55.58 2k2i n LYS 167 Cb 0.54 -1.50 0.23 0.00 -1.84 0.00 0.00 35.03 32.45 2k2i n LYS 167 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2k2i h LYS 168 N 0.00 0.38 -5.96 1.97 3.64 -1.23 -2.88 116.57 112.49 2k2i h LYS 168 Ca 0.00 -0.02 -0.64 0.00 -1.27 0.00 0.00 60.65 58.72 2k2i h LYS 168 Cb 0.21 -0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 31.85 2k2i h LYS 168 CO 0.00 0.25 1.82 0.99 -2.27 0.00 0.00 179.45 180.24 2k2i s THR 169 N -5.98 4.04 -0.63 1.00 2.01 -0.87 -4.56 115.64 110.65 2k2i s THR 169 Ca -0.12 -1.33 0.03 0.00 0.31 0.00 0.00 61.69 60.57 2k2i s THR 169 Cb 0.22 -5.12 0.38 0.00 0.01 0.00 0.00 72.50 67.99 2k2i s THR 169 CO 0.77 -1.97 1.37 -1.20 -0.69 0.00 0.00 174.62 172.90 2k2i n SER 170 N 8.58 5.62 -1.48 3.53 7.64 -1.09 -4.72 113.62 131.70 2k2i n SER 170 Ca 0.40 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.54 2k2i n SER 170 Cb 0.49 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 2k2i n SER 170 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2k2i n LEU 171 N -0.40 -1.98 0.00 -3.43 7.94 -1.26 -5.20 117.00 112.66 2k2i n LEU 171 Ca 0.42 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.32 2k2i n LEU 171 Cb 0.46 -0.58 0.00 0.00 0.53 0.00 0.00 43.42 43.83 2k2i n LEU 171 CO 0.39 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.67