#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxj s PRO 81 N 0.00 3.08 -0.40 1.61 0.04 -1.26 -4.98 135.00 133.09 2jxj s PRO 81 Ca 0.00 0.46 -0.18 0.00 0.04 0.00 0.00 61.00 61.31 2jxj s PRO 81 Cb 0.00 -4.22 0.01 0.00 0.04 0.00 0.00 34.50 30.33 2jxj s PRO 81 CO 0.00 -2.21 0.51 -0.51 0.04 0.00 0.00 177.00 174.83 2jxj s LEU 82 N 6.99 4.60 0.00 -3.56 1.02 -1.26 -4.95 118.68 121.52 2jxj s LEU 82 Ca 0.56 -0.38 0.00 0.00 0.02 0.00 0.00 54.13 54.33 2jxj s LEU 82 Cb -0.12 -2.54 0.00 0.00 0.02 0.00 0.00 46.19 43.56 2jxj s LEU 82 CO 0.23 -0.60 0.00 0.61 0.02 0.00 0.00 176.35 176.61 2jxj n GLY 83 N 5.00 1.16 2.75 -3.19 0.00 -1.26 -5.06 105.19 104.59 2jxj n GLY 83 Ca -0.05 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 2jxj n GLY 83 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jxj s SER 84 N 1.00 3.74 -0.07 1.61 1.04 -1.26 -4.96 113.70 114.80 2jxj s SER 84 Ca 0.00 -2.88 -0.27 0.00 0.48 0.00 0.00 55.95 53.28 2jxj s SER 84 Cb 0.00 -1.16 -0.23 0.00 0.10 0.00 0.00 66.02 64.73 2jxj s SER 84 CO 0.00 -0.23 1.07 0.03 0.98 0.00 0.00 173.24 175.09 2jxj h ARG 85 N 6.44 0.01 -0.66 4.02 2.47 -1.98 -3.02 114.38 121.65 2jxj h ARG 85 Ca 0.02 -0.01 0.05 0.00 -1.26 0.00 0.00 59.98 58.78 2jxj h ARG 85 Cb 0.90 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.18 2jxj h ARG 85 CO 0.54 0.70 0.44 -0.39 0.56 0.00 0.00 179.97 181.82 2jxj h VAL 86 N -0.67 1.05 -0.42 2.04 -1.51 -2.00 -2.09 116.25 112.65 2jxj h VAL 86 Ca -0.00 -0.25 -0.03 0.00 -1.23 0.00 0.00 66.70 65.19 2jxj h VAL 86 Cb 0.70 0.25 -0.02 0.00 -2.13 0.00 0.00 31.29 30.10 2jxj h VAL 86 CO 0.00 0.13 0.16 -0.09 -1.23 0.00 0.00 177.57 176.54 2jxj h ARG 87 N 0.74 0.63 -0.64 5.19 2.43 -1.97 -2.56 114.38 118.20 2jxj h ARG 87 Ca 0.28 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2jxj h ARG 87 Cb 0.16 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 2jxj h ARG 87 CO -0.08 0.60 0.40 1.25 -1.51 0.00 0.00 179.97 180.63 2jxj h LEU 88 N 0.53 0.75 -0.73 3.80 5.85 -1.26 -2.56 115.31 121.69 2jxj h LEU 88 Ca 0.14 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.86 2jxj h LEU 88 Cb 0.21 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 2jxj h LEU 88 CO -0.01 0.57 0.45 0.44 -0.34 0.00 0.00 178.44 179.55 2jxj h ASP 89 N 0.86 0.71 -0.80 1.25 5.19 -1.26 -1.73 116.42 120.64 2jxj h ASP 89 Ca 0.23 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 2jxj h ASP 89 Cb -0.06 -0.14 -0.04 0.00 0.18 0.00 0.00 39.33 39.28 2jxj h ASP 89 CO -0.05 0.47 0.52 0.15 -3.12 0.00 0.00 179.24 177.22 2jxj h PHE 90 N 0.84 1.02 -0.65 4.55 3.04 -1.08 -2.24 116.94 122.43 2jxj h PHE 90 Ca 0.31 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.23 2jxj h PHE 90 Cb 0.10 -0.34 -0.03 0.00 2.56 0.00 0.00 35.95 38.24 2jxj h PHE 90 CO -0.05 0.65 0.22 -0.07 -2.02 0.00 0.00 178.31 177.05 2jxj h LEU 91 N 1.09 0.94 -1.20 0.59 4.07 -1.04 -2.32 115.31 117.45 2jxj h LEU 91 Ca 0.29 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 2jxj h LEU 91 Cb -0.10 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.36 2jxj h LEU 91 CO -0.06 0.89 0.35 -0.78 -1.08 0.00 0.00 178.44 177.76 2jxj h ASP 92 N 0.94 0.81 -0.33 -0.43 3.58 -0.91 0.25 116.42 120.33 2jxj h ASP 92 Ca 0.21 -0.06 -0.09 0.00 0.42 0.00 0.00 57.03 57.51 2jxj h ASP 92 Cb 0.27 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 2jxj h ASP 92 CO -0.01 0.66 -0.14 1.56 -2.88 0.00 0.00 179.24 178.43 2jxj h GLN 93 N 0.92 0.69 -0.36 0.28 1.08 -1.10 0.19 115.11 116.81 2jxj h GLN 93 Ca 0.23 -0.29 -0.09 0.00 -1.45 0.00 0.00 58.65 57.05 2jxj h GLN 93 Cb 0.03 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 2jxj h GLN 93 CO -0.04 0.88 -0.14 1.25 -0.95 0.00 0.00 178.83 179.84 2jxj h LEU 94 N 0.46 0.74 -0.19 1.46 6.46 -1.09 -0.13 115.31 123.02 2jxj h LEU 94 Ca 0.08 -0.39 -0.08 0.00 -0.12 0.00 0.00 57.88 57.36 2jxj h LEU 94 Cb 0.67 -0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.39 2jxj h LEU 94 CO 0.04 0.96 -0.21 0.00 -0.62 0.00 0.00 178.44 178.62 2jxj h ALA 95 N 0.80 0.28 -0.57 1.25 0.00 -0.94 -2.61 119.26 117.46 2jxj h ALA 95 Ca 0.08 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2jxj h ALA 95 Cb 0.67 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2jxj h ALA 95 CO 0.05 0.22 0.11 0.87 0.00 0.00 0.00 179.25 180.50 2jxj h LYS 96 N 0.13 0.93 -0.11 0.00 1.79 -0.63 -0.94 116.57 117.74 2jxj h LYS 96 Ca 0.03 -0.24 0.01 0.00 -2.18 0.00 0.00 60.65 58.26 2jxj h LYS 96 Cb 0.76 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.29 2jxj h LYS 96 CO 0.05 0.88 0.05 0.35 -1.08 0.00 0.00 179.45 179.70 2jxj h PHE 97 N 0.83 0.10 -0.39 -1.35 3.57 -1.03 -2.54 116.94 116.13 2jxj h PHE 97 Ca 0.18 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 2jxj h PHE 97 Cb 0.38 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 2jxj h PHE 97 CO 0.03 0.06 -0.10 -1.49 -2.23 0.00 0.00 178.31 174.57 2jxj h TRP 98 N 0.12 0.73 -1.00 0.41 4.06 -1.39 -2.85 115.95 116.03 2jxj h TRP 98 Ca 0.04 -0.12 0.09 0.00 2.06 0.00 0.00 58.89 60.97 2jxj h TRP 98 Cb 0.01 -0.19 -0.08 0.00 -1.00 0.00 0.00 29.16 27.90 2jxj h TRP 98 CO -0.09 0.75 0.64 1.49 -3.56 0.00 0.00 178.44 177.67 2jxj h GLU 99 N 0.62 1.03 -0.89 0.49 4.22 -0.78 -0.98 114.58 118.29 2jxj h GLU 99 Ca 0.11 -0.06 0.03 0.00 0.08 0.00 0.00 59.36 59.51 2jxj h GLU 99 Cb 0.54 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 2jxj h GLU 99 CO 0.03 0.68 0.59 -0.07 -2.18 0.00 0.00 179.01 178.06 2jxj h LEU 100 N 1.07 0.98 -0.41 1.64 3.38 -1.22 -2.38 115.31 118.37 2jxj h LEU 100 Ca 0.46 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.40 2jxj h LEU 100 Cb 0.34 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2jxj h LEU 100 CO -0.22 0.68 0.17 1.56 0.09 0.00 0.00 178.44 180.73 2jxj h GLN 101 N 1.14 0.60 0.00 1.13 7.50 -1.24 -3.47 115.11 120.77 2jxj h GLN 101 Ca 0.34 -0.10 0.00 0.00 0.50 0.00 0.00 58.65 59.39 2jxj h GLN 101 Cb -0.03 -0.10 0.00 0.00 0.05 0.00 0.00 27.48 27.40 2jxj h GLN 101 CO -0.10 0.56 0.00 0.41 -1.50 0.00 0.00 178.83 178.20 2jxj n GLY 102 N -0.80 1.82 0.05 3.46 0.00 -0.90 -5.02 105.19 103.80 2jxj n GLY 102 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jxj n GLY 102 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jxj n SER 103 N 0.00 0.98 -1.42 1.61 7.64 -1.23 -5.07 113.62 116.13 2jxj n SER 103 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jxj n SER 103 Cb 0.00 1.32 0.00 0.00 -1.01 0.00 0.00 64.21 64.52 2jxj n SER 103 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2jxj n THR 104 N -2.37 -8.82 -2.65 0.44 -1.04 -1.26 -4.91 114.28 93.67 2jxj n THR 104 Ca -0.16 2.02 -0.42 0.00 -2.04 0.00 0.00 64.05 63.45 2jxj n THR 104 Cb 0.76 -4.10 -0.03 0.00 -1.82 0.00 0.00 70.33 65.15 2jxj n THR 104 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2jxj s LEU 105 N -0.30 4.27 -0.24 -4.42 1.98 -1.26 -4.95 118.68 113.75 2jxj s LEU 105 Ca 0.00 1.60 0.01 0.00 -2.89 0.00 0.00 54.13 52.86 2jxj s LEU 105 Cb 0.00 -3.56 0.06 0.00 0.66 0.00 0.00 46.19 43.35 2jxj s LEU 105 CO 0.00 -0.44 -0.07 -0.54 -1.89 0.00 0.00 176.35 173.41 2jxj s LYS 106 N 1.87 1.79 -0.35 1.98 3.01 -1.26 -5.04 119.74 121.74 2jxj s LYS 106 Ca 0.50 -1.10 -0.29 0.00 -1.01 0.00 0.00 55.97 54.07 2jxj s LYS 106 Cb -0.20 -2.68 -0.00 0.00 -1.01 0.00 0.00 37.83 33.94 2jxj s LYS 106 CO 0.20 -0.60 1.57 0.42 0.51 0.00 0.00 175.35 177.45 2jxj s ILE 107 N 1.31 3.74 0.69 2.17 1.01 -1.26 -4.99 121.20 123.87 2jxj s ILE 107 Ca -0.07 0.77 -0.14 0.00 0.00 0.00 0.00 60.65 61.21 2jxj s ILE 107 Cb -0.19 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.36 2jxj s ILE 107 CO -0.06 -0.56 1.11 -2.16 0.00 0.00 0.00 174.94 173.27 2jxj s PRO 108 N 5.11 2.59 -0.26 2.79 0.04 -1.26 -5.02 135.00 138.99 2jxj s PRO 108 Ca 0.69 1.37 -0.00 0.00 0.04 0.00 0.00 61.00 63.10 2jxj s PRO 108 Cb -0.18 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.47 2jxj s PRO 108 CO 0.32 -1.41 -0.07 0.08 0.04 0.00 0.00 177.00 175.96 2jxj s VAL 109 N -2.44 2.61 -0.10 -0.36 1.01 -1.26 -4.06 120.40 115.80 2jxj s VAL 109 Ca 0.66 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2jxj s VAL 109 Cb -0.20 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 2jxj s VAL 109 CO 0.45 0.09 -0.10 -0.69 0.00 0.00 0.00 175.10 174.85 2jxj s VAL 110 N 1.24 3.41 -1.63 2.92 1.01 -0.44 -4.55 120.40 122.35 2jxj s VAL 110 Ca -0.04 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 2jxj s VAL 110 Cb -0.18 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.79 2jxj s VAL 110 CO -0.05 0.56 0.34 -0.62 0.00 0.00 0.00 175.10 175.33 2jxj n GLU 111 N 2.85 -3.45 -2.64 2.72 -0.58 -1.26 -1.50 120.64 116.78 2jxj n GLU 111 Ca -0.18 0.94 -0.21 0.00 -0.42 0.00 0.00 57.16 57.30 2jxj n GLU 111 Cb 0.53 -5.69 0.01 0.00 -0.57 0.00 0.00 31.44 25.72 2jxj n GLU 111 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2jxj n ARG 112 N -3.54 -2.96 -3.71 3.49 0.63 -1.26 -4.98 116.66 104.33 2jxj n ARG 112 Ca -0.17 0.93 -0.12 0.00 -0.92 0.00 0.00 57.85 57.57 2jxj n ARG 112 Cb 0.65 -5.61 -0.07 0.00 0.45 0.00 0.00 32.46 27.88 2jxj n ARG 112 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2jxj s LYS 113 N -5.28 0.87 0.09 -0.14 2.20 -0.56 -5.14 119.74 111.76 2jxj s LYS 113 Ca 0.13 -0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 54.97 2jxj s LYS 113 Cb -0.06 0.38 -0.06 0.00 -1.51 0.00 0.00 37.83 36.59 2jxj s LYS 113 CO 0.16 -0.29 1.07 0.42 -0.36 0.00 0.00 175.35 176.35 2jxj s ILE 114 N -2.59 4.30 -0.20 5.43 1.01 -1.26 -1.32 121.20 126.56 2jxj s ILE 114 Ca -0.05 1.78 -0.23 0.00 0.00 0.00 0.00 60.65 62.16 2jxj s ILE 114 Cb -0.01 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 2jxj s ILE 114 CO -0.03 0.21 0.72 -0.22 0.00 0.00 0.00 174.94 175.62 2jxj s LEU 115 N 0.45 4.13 0.38 2.97 0.20 -1.26 -4.95 118.68 120.61 2jxj s LEU 115 Ca 0.52 0.95 -0.27 0.00 0.69 0.00 0.00 54.13 56.02 2jxj s LEU 115 Cb -0.26 -3.03 -0.09 0.00 -0.43 0.00 0.00 46.19 42.38 2jxj s LEU 115 CO 0.31 -0.36 1.27 -0.62 -0.29 0.00 0.00 176.35 176.66 2jxj s ASP 116 N 1.24 6.48 -0.23 3.68 2.15 -1.26 -4.97 116.67 123.76 2jxj s ASP 116 Ca 0.32 2.59 -0.16 0.00 0.43 0.00 0.00 52.55 55.74 2jxj s ASP 116 Cb -0.16 -2.64 -0.10 0.00 -0.30 0.00 0.00 42.92 39.73 2jxj s ASP 116 CO 0.10 -0.73 -0.30 0.18 -0.17 0.00 0.00 175.17 174.26 2jxj n LEU 117 N 0.30 1.93 0.02 -1.34 4.77 -1.26 -3.74 117.00 117.69 2jxj n LEU 117 Ca 0.03 0.36 -0.10 0.00 -0.03 0.00 0.00 56.01 56.27 2jxj n LEU 117 Cb 0.44 -0.80 -0.04 0.00 -2.33 0.00 0.00 43.42 40.68 2jxj n LEU 117 CO 0.56 0.17 0.81 0.22 -1.33 0.00 0.00 177.39 177.81 2jxj h TYR 118 N -1.00 -0.21 -0.33 -1.77 3.20 -1.93 0.29 116.97 115.21 2jxj h TYR 118 Ca -0.37 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.52 2jxj h TYR 118 Cb 1.29 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.65 2jxj h TYR 118 CO -0.21 -0.13 0.22 0.00 -1.64 0.00 0.00 178.16 176.39 2jxj h ALA 119 N 0.92 0.42 -0.70 1.82 0.00 -2.00 -2.30 119.26 117.43 2jxj h ALA 119 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2jxj h ALA 119 Cb 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2jxj h ALA 119 CO -0.14 -0.10 0.32 1.25 0.00 0.00 0.00 179.25 180.58 2jxj h LEU 120 N 0.45 0.93 -1.14 0.00 5.85 -1.57 -2.33 115.31 117.51 2jxj h LEU 120 Ca 0.12 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.74 2jxj h LEU 120 Cb -0.04 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 2jxj h LEU 120 CO -0.03 0.82 0.59 -1.28 -0.34 0.00 0.00 178.44 178.20 2jxj h SER 121 N 0.99 0.95 -0.25 1.25 0.87 -0.13 -1.82 113.55 115.41 2jxj h SER 121 Ca 0.24 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.73 2jxj h SER 121 Cb 0.14 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2jxj h SER 121 CO -0.03 0.64 -0.10 0.11 -0.53 0.00 0.00 176.83 176.92 2jxj h LYS 122 N 1.09 0.50 -0.89 2.24 1.79 -1.04 -2.34 116.57 117.92 2jxj h LYS 122 Ca 0.37 -0.21 0.04 0.00 -2.18 0.00 0.00 60.65 58.66 2jxj h LYS 122 Cb 0.08 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.66 2jxj h LYS 122 CO -0.12 0.76 0.59 0.82 -1.08 0.00 0.00 179.45 180.41 2jxj h ILE 123 N 0.23 1.15 0.02 1.86 2.04 -0.95 0.18 117.51 122.03 2jxj h ILE 123 Ca 0.06 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 2jxj h ILE 123 Cb 0.60 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2jxj h ILE 123 CO 0.03 0.20 -0.01 0.58 0.00 0.00 0.00 178.15 178.96 2jxj h VAL 124 N 1.11 1.28 -0.45 1.67 2.07 -1.27 -2.93 116.25 117.74 2jxj h VAL 124 Ca 0.36 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2jxj h VAL 124 Cb 0.03 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 2jxj h VAL 124 CO -0.11 0.24 0.22 0.00 0.02 0.00 0.00 177.57 177.94 2jxj h ALA 125 N 0.54 0.58 -0.14 1.67 0.00 -1.16 -2.02 119.26 118.73 2jxj h ALA 125 Ca -0.00 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2jxj h ALA 125 Cb 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2jxj h ALA 125 CO 0.00 0.14 0.20 0.66 0.00 0.00 0.00 179.25 180.25 2jxj h SER 126 N 0.58 0.00 1.33 0.00 4.64 -0.68 0.19 113.55 119.61 2jxj h SER 126 Ca 0.15 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.37 2jxj h SER 126 Cb 0.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 2jxj h SER 126 CO -0.02 0.00 -0.69 0.11 -0.87 0.00 0.00 176.83 175.36 2jxj h LYS 127 N 0.00 0.00 0.00 4.77 1.79 -1.19 -3.47 116.57 118.47 2jxj h LYS 127 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2jxj h LYS 127 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 2jxj h LYS 127 CO -0.00 0.39 0.00 0.41 -1.08 0.00 0.00 179.45 179.17 2jxj n GLY 128 N 1.25 0.53 0.00 3.86 0.00 0.64 -4.75 105.19 106.71 2jxj n GLY 128 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2jxj n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jxj n GLY 129 N 0.00 2.16 0.13 -0.02 0.00 -0.89 -4.88 105.19 101.68 2jxj n GLY 129 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2jxj n GLY 129 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2jxj n PHE 130 N 0.00 -2.39 -0.21 1.61 7.35 -1.26 -3.97 117.46 118.59 2jxj n PHE 130 Ca 0.00 0.09 0.03 0.00 -0.76 0.00 0.00 57.45 56.81 2jxj n PHE 130 Cb 0.00 0.65 0.28 0.00 0.35 0.00 0.00 39.48 40.76 2jxj n PHE 130 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2jxj h GLU 131 N 0.00 0.91 -0.79 -4.13 5.08 -1.95 -1.65 114.58 112.06 2jxj h GLU 131 Ca 0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2jxj h GLU 131 Cb 0.00 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 2jxj h GLU 131 CO 0.00 0.60 0.46 0.52 -1.00 0.00 0.00 179.01 179.59 2jxj h MET 132 N 0.94 1.07 -0.56 2.33 2.86 -1.91 -0.73 114.93 118.93 2jxj h MET 132 Ca 0.30 -0.10 -0.11 0.00 -2.06 0.00 0.00 59.70 57.73 2jxj h MET 132 Cb 0.03 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 2jxj h MET 132 CO -0.08 0.76 -0.09 0.28 1.06 0.00 0.00 176.91 178.84 2jxj h VAL 133 N 1.09 1.27 -0.21 -2.22 2.07 -1.61 -1.73 116.25 114.90 2jxj h VAL 133 Ca 0.28 -1.25 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 2jxj h VAL 133 Cb -0.02 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2jxj h VAL 133 CO -0.05 0.44 -0.05 0.74 0.02 0.00 0.00 177.57 178.67 2jxj h THR 134 N 0.94 1.29 -0.72 2.57 2.02 -1.01 0.86 112.91 118.86 2jxj h THR 134 Ca 0.15 -1.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.26 2jxj h THR 134 Cb 0.66 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.57 2jxj h THR 134 CO 0.05 0.32 0.35 0.11 0.37 0.00 0.00 175.52 176.72 2jxj h LYS 135 N 0.14 1.02 0.00 6.66 1.57 -1.11 -2.40 116.57 122.45 2jxj h LYS 135 Ca 0.05 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2jxj h LYS 135 Cb 0.51 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.62 2jxj h LYS 135 CO 0.02 0.78 -0.71 0.93 -0.57 0.00 0.00 179.45 179.90 2jxj h GLU 136 N 1.01 0.00 -3.75 3.15 4.39 -1.22 -3.48 114.58 114.67 2jxj h GLU 136 Ca 0.25 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.66 2jxj h GLU 136 Cb 0.09 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 28.80 2jxj h GLU 136 CO -0.03 0.04 -0.45 1.17 -1.16 0.00 0.00 179.01 178.58 2jxj n LYS 137 N -2.85 -4.36 -0.14 2.33 4.81 0.29 -4.90 118.16 113.35 2jxj n LYS 137 Ca 0.01 0.62 0.07 0.00 -0.87 0.00 0.00 58.31 58.14 2jxj n LYS 137 Cb 0.57 -4.94 0.21 0.00 0.02 0.00 0.00 35.03 30.90 2jxj n LYS 137 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2jxj n LYS 138 N -3.32 1.73 0.13 1.64 5.02 -0.72 -4.08 118.16 118.55 2jxj n LYS 138 Ca -0.05 -1.13 0.04 0.00 -2.02 0.00 0.00 58.31 55.15 2jxj n LYS 138 Cb 0.57 -1.29 0.46 0.00 -0.02 0.00 0.00 35.03 34.75 2jxj n LYS 138 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 2jxj h TRP 139 N 1.94 0.25 -0.71 2.13 4.06 -1.91 -2.03 115.95 119.68 2jxj h TRP 139 Ca 0.00 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 2jxj h TRP 139 Cb 0.44 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 28.49 2jxj h TRP 139 CO 0.19 0.27 0.42 0.77 -3.56 0.00 0.00 178.44 176.52 2jxj h SER 140 N 0.25 0.85 0.19 -3.49 0.02 -1.92 -1.89 113.55 107.55 2jxj h SER 140 Ca 0.06 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 2jxj h SER 140 Cb 0.18 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2jxj h SER 140 CO 0.00 0.66 -0.45 0.11 -1.14 0.00 0.00 176.83 176.02 2jxj h LYS 141 N 0.98 0.32 -0.30 3.45 1.79 -1.67 -2.96 116.57 118.18 2jxj h LYS 141 Ca 0.25 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2jxj h LYS 141 Cb -0.03 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 2jxj h LYS 141 CO -0.05 0.71 0.20 0.28 -1.08 0.00 0.00 179.45 179.51 2jxj h VAL 142 N 0.26 1.07 -0.39 0.50 2.07 -1.17 -2.50 116.25 116.09 2jxj h VAL 142 Ca 0.02 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 2jxj h VAL 142 Cb 0.89 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2jxj h VAL 142 CO 0.07 0.07 0.01 1.23 0.02 0.00 0.00 177.57 178.98 2jxj h GLY 143 N 0.40 0.66 1.24 2.17 0.00 -1.45 -2.62 103.07 103.48 2jxj h GLY 143 Ca 0.11 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 2jxj h GLY 143 CO -0.03 0.38 0.40 1.76 0.00 0.00 0.00 176.54 179.05 2jxj h SER 144 N 0.59 0.89 0.22 0.19 0.02 -1.29 0.63 113.55 114.78 2jxj h SER 144 Ca 0.12 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 2jxj h SER 144 Cb 0.36 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2jxj h SER 144 CO 0.01 0.71 -0.32 -0.09 -1.14 0.00 0.00 176.83 176.00 2jxj h ARG 145 N 1.00 0.17 0.05 3.45 2.43 -1.09 -3.29 114.38 117.12 2jxj h ARG 145 Ca 0.26 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2jxj h ARG 145 Cb 0.01 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2jxj h ARG 145 CO -0.04 0.48 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.80 2jxj h LEU 146 N 0.15 -0.06 0.00 3.80 4.07 -1.20 -3.48 115.31 118.59 2jxj h LEU 146 Ca 0.02 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.92 2jxj h LEU 146 Cb 0.65 0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.40 2jxj h LEU 146 CO 0.05 0.46 0.00 0.61 -1.08 0.00 0.00 178.44 178.48 2jxj n GLY 147 N 1.57 0.00 3.69 0.83 0.00 0.08 -5.12 105.19 106.23 2jxj n GLY 147 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2jxj n GLY 147 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jxj s TYR 148 N 0.00 3.23 0.14 1.61 1.51 -0.40 -5.00 117.35 118.43 2jxj s TYR 148 Ca 0.00 0.18 0.04 0.00 -1.01 0.00 0.00 57.07 56.28 2jxj s TYR 148 Cb 0.00 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 39.94 2jxj s TYR 148 CO 0.00 0.41 0.15 -0.51 -1.11 0.00 0.00 175.55 174.49 2jxj s LEU 149 N -0.59 3.90 -0.12 -1.29 1.43 -1.26 -4.43 118.68 116.32 2jxj s LEU 149 Ca 0.10 -0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 52.86 2jxj s LEU 149 Cb -0.12 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 2jxj s LEU 149 CO 0.02 0.09 1.67 -2.16 0.23 0.00 0.00 176.35 176.20 2jxj s PRO 150 N -2.96 3.99 0.00 1.29 0.04 -1.26 -4.90 135.00 131.20 2jxj s PRO 150 Ca 0.31 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.35 2jxj s PRO 150 Cb -0.11 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.41 2jxj s PRO 150 CO 0.24 -1.07 0.00 0.41 0.04 0.00 0.00 177.00 176.62 2jxj n GLY 151 N 4.40 2.63 0.36 0.56 0.00 -1.26 -5.10 105.19 106.78 2jxj n GLY 151 Ca 0.18 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 2jxj n GLY 151 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jxj n LYS 152 N 0.00 0.37 -3.11 1.61 4.01 -1.26 -5.02 118.16 114.76 2jxj n LYS 152 Ca 0.00 0.15 0.02 0.00 -0.51 0.00 0.00 58.31 57.96 2jxj n LYS 152 Cb 0.00 -1.15 -0.01 0.00 -0.51 0.00 0.00 35.03 33.37 2jxj n LYS 152 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2jxj s GLY 153 N -4.61 -1.32 -0.09 0.72 0.00 -1.26 -5.01 107.32 95.75 2jxj s GLY 153 Ca -0.20 0.60 0.08 0.00 0.00 0.00 0.00 44.72 45.20 2jxj s GLY 153 CO 0.30 3.82 0.03 2.41 0.00 0.00 0.00 173.10 179.66 2jxj n THR 154 N 4.39 0.65 -0.30 0.90 -1.04 -1.26 -4.55 114.28 113.07 2jxj n THR 154 Ca 0.09 -0.40 -0.01 0.00 -2.04 0.00 0.00 64.05 61.69 2jxj n THR 154 Cb 0.58 -0.75 0.11 0.00 -1.82 0.00 0.00 70.33 68.45 2jxj n THR 154 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2jxj h GLY 155 N 1.84 1.22 1.88 3.41 0.00 -1.94 -1.45 103.07 108.03 2jxj h GLY 155 Ca -0.26 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.63 2jxj h GLY 155 CO 0.01 0.33 -0.12 1.76 0.00 0.00 0.00 176.54 178.52 2jxj h SER 156 N 1.02 0.13 0.43 0.19 0.02 -1.98 -2.13 113.55 111.23 2jxj h SER 156 Ca 0.34 -0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 61.11 2jxj h SER 156 Cb 0.04 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2jxj h SER 156 CO -0.12 0.28 -0.67 -0.07 -1.14 0.00 0.00 176.83 175.10 2jxj h LEU 157 N 0.14 0.26 -0.26 5.07 -0.00 -1.53 -2.81 115.31 116.18 2jxj h LEU 157 Ca 0.03 -0.16 -0.06 0.00 -0.00 0.00 0.00 57.88 57.68 2jxj h LEU 157 Cb 0.30 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.88 2jxj h LEU 157 CO 0.02 0.85 -0.09 -0.07 -0.00 0.00 0.00 178.44 179.14 2jxj h LEU 158 N 0.15 0.53 -0.45 1.67 3.38 -0.73 -0.30 115.31 119.56 2jxj h LEU 158 Ca -0.01 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2jxj h LEU 158 Cb 1.20 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 2jxj h LEU 158 CO 0.10 0.80 0.23 0.50 0.09 0.00 0.00 178.44 180.16 2jxj h LYS 159 N 0.25 0.64 -0.40 1.13 3.11 -1.48 0.17 116.57 119.99 2jxj h LYS 159 Ca 0.06 -0.08 -0.08 0.00 -2.81 0.00 0.00 60.65 57.74 2jxj h LYS 159 Cb 0.58 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.68 2jxj h LYS 159 CO 0.03 0.52 -0.04 0.77 -2.81 0.00 0.00 179.45 177.92 2jxj h SER 160 N 0.59 0.73 -0.44 4.20 0.02 -1.47 -1.72 113.55 115.45 2jxj h SER 160 Ca 0.16 -0.33 -0.05 0.00 -0.84 0.00 0.00 61.79 60.72 2jxj h SER 160 Cb 0.08 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 2jxj h SER 160 CO -0.02 0.89 0.08 0.45 -1.14 0.00 0.00 176.83 177.09 2jxj h HIS 161 N 0.55 0.77 -0.09 3.45 3.86 -0.86 -3.14 115.15 119.69 2jxj h HIS 161 Ca 0.11 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2jxj h HIS 161 Cb 0.54 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.80 2jxj h HIS 161 CO 0.04 0.73 0.05 -0.92 0.86 0.00 0.00 177.93 178.69 2jxj h TYR 162 N 0.59 0.12 -1.60 2.45 3.20 -0.61 -3.26 116.97 117.86 2jxj h TYR 162 Ca 0.14 -0.00 -0.76 0.00 3.14 0.00 0.00 58.73 61.24 2jxj h TYR 162 Cb 0.36 -0.04 -0.17 0.00 1.54 0.00 0.00 36.73 38.42 2jxj h TYR 162 CO 0.02 0.15 1.85 -1.91 -1.64 0.00 0.00 178.16 176.63 2jxj n GLU 163 N -4.99 3.75 0.00 1.82 2.13 -0.65 0.01 120.64 122.70 2jxj n GLU 163 Ca -0.06 -3.68 0.00 0.00 0.66 0.00 0.00 57.16 54.09 2jxj n GLU 163 Cb 0.06 -2.87 0.00 0.00 0.27 0.00 0.00 31.44 28.91 2jxj n GLU 163 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2jxj n ARG 164 N 3.51 0.00 0.00 5.31 1.74 -1.23 -4.85 116.66 121.14 2jxj n ARG 164 Ca 0.38 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.46 2jxj n ARG 164 Cb 0.36 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.80 2jxj n ARG 164 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2jxj n ILE 165 N -1.35 0.00 -0.01 0.55 -0.00 -1.24 -4.73 119.36 112.58 2jxj n ILE 165 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 62.75 62.70 2jxj n ILE 165 Cb 0.00 -0.43 -0.04 0.00 -0.00 0.00 0.00 39.64 39.17 2jxj n ILE 165 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.55 176.80 2jxj h LEU 166 N 0.00 -0.08 0.19 1.39 6.46 -1.73 -3.22 115.31 118.32 2jxj h LEU 166 Ca 0.00 -0.24 0.01 0.00 -0.12 0.00 0.00 57.88 57.53 2jxj h LEU 166 Cb 0.53 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 2jxj h LEU 166 CO 0.00 0.51 -0.31 0.22 -0.62 0.00 0.00 178.44 178.25 2jxj h TYR 167 N -1.00 -0.83 -0.30 1.25 3.20 -0.73 -2.15 116.97 116.41 2jxj h TYR 167 Ca -0.01 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.96 2jxj h TYR 167 Cb 0.32 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 2jxj h TYR 167 CO 0.07 -0.42 0.33 -1.00 -1.64 0.00 0.00 178.16 175.49 2jxj h PRO 168 N -0.57 0.00 0.11 1.82 0.13 -1.79 -2.35 132.00 129.35 2jxj h PRO 168 Ca 0.01 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.16 2jxj h PRO 168 Cb 0.57 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 2jxj h PRO 168 CO -0.14 0.00 -0.19 -0.92 -0.23 0.00 0.00 178.00 176.53 2jxj h TYR 169 N 0.00 -0.49 -0.10 1.56 3.20 -1.39 -0.13 116.97 119.62 2jxj h TYR 169 Ca 0.14 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.04 2jxj h TYR 169 Cb 0.79 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 2jxj h TYR 169 CO 0.00 -0.28 -0.03 0.93 -1.64 0.00 0.00 178.16 177.14 2jxj h GLU 170 N -0.37 -0.01 -0.64 1.82 3.07 -1.49 -1.91 114.58 115.06 2jxj h GLU 170 Ca 0.02 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.99 2jxj h GLU 170 Cb 0.38 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.25 2jxj h GLU 170 CO -0.10 -0.00 0.43 -0.07 -1.40 0.00 0.00 179.01 177.87 2jxj h LEU 171 N -0.01 0.40 -1.36 1.33 4.07 -1.50 0.33 115.31 118.57 2jxj h LEU 171 Ca 0.05 0.01 -0.06 0.00 0.08 0.00 0.00 57.88 57.96 2jxj h LEU 171 Cb 0.08 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 2jxj h LEU 171 CO -0.10 0.24 -0.22 0.15 -1.08 0.00 0.00 178.44 177.42 2jxj h PHE 172 N 0.44 0.16 -0.34 1.13 3.04 -0.21 0.90 116.94 122.06 2jxj h PHE 172 Ca 0.30 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.17 2jxj h PHE 172 Cb 0.58 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.03 2jxj h PHE 172 CO -0.00 0.36 -0.01 1.96 -2.02 0.00 0.00 178.31 178.60 2jxj h GLN 173 N 0.14 0.61 -0.42 1.11 1.08 -0.64 -3.08 115.11 113.91 2jxj h GLN 173 Ca 0.02 -0.20 -0.17 0.00 -1.45 0.00 0.00 58.65 56.85 2jxj h GLN 173 Cb 0.47 -0.05 -0.10 0.00 -0.05 0.00 0.00 27.48 27.74 2jxj h GLN 173 CO 0.03 0.74 0.04 0.43 -0.95 0.00 0.00 178.83 179.13 2jxj n SER 174 N -4.50 3.12 0.00 1.46 7.64 -1.07 -5.14 113.62 115.13 2jxj n SER 174 Ca -0.02 -3.53 0.11 0.00 1.01 0.00 0.00 58.87 56.44 2jxj n SER 174 Cb 0.28 -0.64 0.63 0.00 -1.01 0.00 0.00 64.21 63.47 2jxj n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64