#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 2.69 -0.31 1.61 0.04 -1.26 -4.84 135.00 132.93 2jxj s PRO 81 Ca 0.00 -0.81 -0.02 0.00 0.04 0.00 0.00 61.00 60.21 2jxj s PRO 81 Cb 0.00 -5.19 0.12 0.00 0.04 0.00 0.00 34.50 29.47 2jxj s PRO 81 CO 0.00 -3.48 0.20 -0.51 0.04 0.00 0.00 177.00 173.24 2jxj s LEU 82 N 9.77 0.41 0.00 -3.56 1.02 -1.26 -4.75 118.68 120.31 2jxj s LEU 82 Ca 0.67 -1.35 0.00 0.00 0.02 0.00 0.00 54.13 53.47 2jxj s LEU 82 Cb -0.03 -0.11 0.00 0.00 0.02 0.00 0.00 46.19 46.07 2jxj s LEU 82 CO 0.05 -0.40 0.00 0.61 0.02 0.00 0.00 176.35 176.63 2jxj n GLY 83 N 4.99 1.53 1.48 -3.19 0.00 -1.26 -4.88 105.19 103.86 2jxj n GLY 83 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 2jxj n GLY 83 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jxj n SER 84 N 0.00 2.40 -0.03 1.61 2.88 -1.26 -4.82 113.62 114.40 2jxj n SER 84 Ca 0.00 -3.21 -0.13 0.00 -1.33 0.00 0.00 58.87 54.21 2jxj n SER 84 Cb 0.00 -0.43 -0.10 0.00 -0.75 0.00 0.00 64.21 62.93 2jxj n SER 84 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2jxj h ARG 85 N 1.54 -0.04 -0.27 -1.46 3.08 -1.90 -2.81 114.38 112.53 2jxj h ARG 85 Ca 0.03 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 2jxj h ARG 85 Cb 1.37 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.41 2jxj h ARG 85 CO 0.25 0.64 -0.25 -0.39 -1.07 0.00 0.00 179.97 179.14 2jxj h VAL 86 N -0.79 1.27 -0.01 2.04 -1.51 -1.98 -2.10 116.25 113.17 2jxj h VAL 86 Ca -0.00 -1.28 -0.00 0.00 -1.23 0.00 0.00 66.70 64.19 2jxj h VAL 86 Cb 0.69 1.33 -0.00 0.00 -2.13 0.00 0.00 31.29 31.19 2jxj h VAL 86 CO 0.01 0.41 0.00 0.03 -1.23 0.00 0.00 177.57 176.79 2jxj h ARG 87 N 0.46 0.01 -0.31 5.19 3.08 -1.89 -1.17 114.38 119.74 2jxj h ARG 87 Ca 0.07 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 2jxj h ARG 87 Cb 0.68 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 2jxj h ARG 87 CO 0.05 0.13 0.12 1.25 -1.07 0.00 0.00 179.97 180.45 2jxj h LEU 88 N -0.11 0.43 -1.24 3.04 6.46 -1.44 -2.77 115.31 119.67 2jxj h LEU 88 Ca 0.00 -0.17 0.06 0.00 -0.12 0.00 0.00 57.88 57.64 2jxj h LEU 88 Cb 0.12 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 39.89 2jxj h LEU 88 CO -0.00 0.49 0.54 0.44 -0.62 0.00 0.00 178.44 179.29 2jxj h ASP 89 N 0.35 0.82 -0.50 1.25 5.19 -1.31 -2.18 116.42 120.04 2jxj h ASP 89 Ca 0.10 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.54 2jxj h ASP 89 Cb 0.20 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.50 2jxj h ASP 89 CO -0.01 0.54 0.29 0.15 -3.12 0.00 0.00 179.24 177.09 2jxj h PHE 90 N 0.93 0.54 -0.31 4.55 3.57 -0.93 -1.73 116.94 123.58 2jxj h PHE 90 Ca 0.35 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.87 2jxj h PHE 90 Cb 0.18 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2jxj h PHE 90 CO -0.00 0.31 0.20 -0.07 -2.23 0.00 0.00 178.31 176.52 2jxj h LEU 91 N 0.58 0.35 -0.31 0.59 4.07 -1.27 -2.25 115.31 117.07 2jxj h LEU 91 Ca 0.20 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 58.10 2jxj h LEU 91 Cb 0.03 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 2jxj h LEU 91 CO -0.10 0.25 0.00 0.44 -1.08 0.00 0.00 178.44 177.96 2jxj h ASP 92 N 0.41 0.53 -0.20 -0.43 3.32 -1.13 -1.27 116.42 117.65 2jxj h ASP 92 Ca 0.11 -0.30 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 2jxj h ASP 92 Cb -0.05 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2jxj h ASP 92 CO -0.02 0.70 0.11 1.56 -1.72 0.00 0.00 179.24 179.87 2jxj h GLN 93 N 0.34 0.27 -0.51 3.56 1.08 -1.00 0.54 115.11 119.39 2jxj h GLN 93 Ca 0.09 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 2jxj h GLN 93 Cb 0.43 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 2jxj h GLN 93 CO 0.01 0.25 0.28 1.25 -0.95 0.00 0.00 178.83 179.68 2jxj h LEU 94 N 0.22 0.63 -0.17 1.46 6.46 -1.40 0.82 115.31 123.33 2jxj h LEU 94 Ca 0.07 -0.09 -0.08 0.00 -0.12 0.00 0.00 57.88 57.67 2jxj h LEU 94 Cb 0.06 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.82 2jxj h LEU 94 CO -0.01 0.54 -0.20 0.00 -0.62 0.00 0.00 178.44 178.15 2jxj h ALA 95 N 1.12 0.25 -0.28 1.25 0.00 -1.05 -1.80 119.26 118.76 2jxj h ALA 95 Ca 0.18 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 2jxj h ALA 95 Cb 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2jxj h ALA 95 CO -0.03 0.18 -0.28 0.87 0.00 0.00 0.00 179.25 180.00 2jxj h LYS 96 N 0.08 0.68 -0.09 0.00 1.79 0.18 -1.52 116.57 117.69 2jxj h LYS 96 Ca 0.02 -0.36 -0.00 0.00 -2.18 0.00 0.00 60.65 58.13 2jxj h LYS 96 Cb 0.75 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.41 2jxj h LYS 96 CO 0.05 0.97 0.05 0.35 -1.08 0.00 0.00 179.45 179.78 2jxj h PHE 97 N 0.41 0.13 -0.61 -1.35 3.04 0.61 -2.64 116.94 116.54 2jxj h PHE 97 Ca 0.04 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.93 2jxj h PHE 97 Cb 0.84 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 39.29 2jxj h PHE 97 CO 0.07 0.19 0.13 -1.49 -2.02 0.00 0.00 178.31 175.19 2jxj h TRP 98 N 0.03 1.01 -1.00 0.41 4.06 -1.36 -2.76 115.95 116.34 2jxj h TRP 98 Ca 0.03 -0.11 0.09 0.00 2.06 0.00 0.00 58.89 60.96 2jxj h TRP 98 Cb 0.11 -0.29 -0.08 0.00 -1.00 0.00 0.00 29.16 27.90 2jxj h TRP 98 CO -0.04 0.84 0.63 1.49 -3.56 0.00 0.00 178.44 177.81 2jxj h GLU 99 N 0.92 1.05 -0.17 0.49 4.57 -1.07 0.11 114.58 120.47 2jxj h GLU 99 Ca 0.19 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.34 2jxj h GLU 99 Cb 0.36 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2jxj h GLU 99 CO 0.00 0.69 0.12 -0.07 -1.18 0.00 0.00 179.01 178.58 2jxj h LEU 100 N 1.08 0.09 -0.00 1.64 3.38 -1.17 -2.33 115.31 118.00 2jxj h LEU 100 Ca 0.46 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.32 2jxj h LEU 100 Cb 0.32 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.05 2jxj h LEU 100 CO -0.22 0.06 -0.43 1.56 0.09 0.00 0.00 178.44 179.51 2jxj h GLN 101 N 0.10 0.29 0.00 1.13 7.50 -1.04 -3.48 115.11 119.62 2jxj h GLN 101 Ca 0.08 -0.31 0.00 0.00 0.50 0.00 0.00 58.65 58.91 2jxj h GLN 101 Cb 0.17 0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.79 2jxj h GLN 101 CO -0.01 1.01 0.00 0.41 -1.50 0.00 0.00 178.83 178.74 2jxj n GLY 102 N 1.06 0.45 0.00 3.46 0.00 -0.81 -5.15 105.19 104.20 2jxj n GLY 102 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2jxj n GLY 102 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jxj n SER 103 N 0.00 0.00 -3.63 1.61 2.88 -1.12 -4.95 113.62 108.41 2jxj n SER 103 Ca 0.00 -0.02 -0.12 0.00 -1.33 0.00 0.00 58.87 57.40 2jxj n SER 103 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 2jxj n SER 103 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2jxj s THR 104 N 1.35 -0.00 -0.15 2.46 2.01 -1.26 -3.52 115.64 116.52 2jxj s THR 104 Ca 0.00 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 2jxj s THR 104 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 2jxj s THR 104 CO 0.00 0.00 1.97 -0.22 -0.69 0.00 0.00 174.62 175.68 2jxj s LEU 105 N 0.76 3.85 -0.11 4.42 2.96 -1.26 -4.97 118.68 124.33 2jxj s LEU 105 Ca -0.03 2.02 0.00 0.00 -0.22 0.00 0.00 54.13 55.90 2jxj s LEU 105 Cb -0.05 -3.52 -0.02 0.00 0.50 0.00 0.00 46.19 43.10 2jxj s LEU 105 CO -0.05 -1.51 -0.12 -0.75 -1.32 0.00 0.00 176.35 172.59 2jxj s LYS 106 N 5.35 3.21 -0.77 1.98 2.47 -1.26 -4.96 119.74 125.77 2jxj s LYS 106 Ca 0.89 -0.67 0.03 0.00 -1.56 0.00 0.00 55.97 54.65 2jxj s LYS 106 Cb -0.33 -2.60 0.19 0.00 -1.46 0.00 0.00 37.83 33.62 2jxj s LYS 106 CO 0.35 0.31 0.59 -1.50 0.16 0.00 0.00 175.35 175.27 2jxj s ILE 107 N 0.09 3.40 1.09 5.43 2.07 -1.26 -5.06 121.20 126.96 2jxj s ILE 107 Ca -0.05 -4.13 -0.12 0.00 -1.41 0.00 0.00 60.65 54.94 2jxj s ILE 107 Cb -0.15 -3.18 0.23 0.00 0.13 0.00 0.00 42.46 39.49 2jxj s ILE 107 CO 0.04 -1.03 0.98 -2.65 -1.91 0.00 0.00 174.94 170.38 2jxj n PRO 108 N 2.11 -1.72 -3.82 3.50 -0.02 -1.26 -4.83 135.00 128.96 2jxj n PRO 108 Ca 0.20 -0.46 -0.36 0.00 -2.02 0.00 0.00 63.50 60.86 2jxj n PRO 108 Cb 0.36 -2.20 -0.13 0.00 -0.02 0.00 0.00 33.50 31.50 2jxj n PRO 108 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jxj s VAL 109 N -2.47 3.60 -0.17 -1.45 1.01 -1.26 -3.91 120.40 115.74 2jxj s VAL 109 Ca 0.67 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 2jxj s VAL 109 Cb -0.24 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 2jxj s VAL 109 CO 0.63 0.05 -0.00 -0.69 0.00 0.00 0.00 175.10 175.09 2jxj s VAL 110 N 1.42 4.20 -1.46 2.92 1.01 -0.21 -4.50 120.40 123.78 2jxj s VAL 110 Ca 0.01 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.67 2jxj s VAL 110 Cb -0.18 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.35 2jxj s VAL 110 CO 0.01 0.48 0.91 -0.62 0.00 0.00 0.00 175.10 175.87 2jxj n GLU 111 N 3.56 -6.48 -2.46 2.72 -0.58 -1.26 -1.42 120.64 114.72 2jxj n GLU 111 Ca -0.17 0.86 -0.21 0.00 -0.42 0.00 0.00 57.16 57.22 2jxj n GLU 111 Cb 0.52 -5.83 -0.01 0.00 -0.57 0.00 0.00 31.44 25.56 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 -4.55 -1.99 -3.88 3.49 0.00 -1.26 -4.95 116.66 103.52 2jxj n ARG 112 Ca -0.05 1.01 -0.11 0.00 -0.00 0.00 0.00 57.85 58.70 2jxj n ARG 112 Cb 0.59 -5.69 -0.12 0.00 0.00 0.00 0.00 32.46 27.24 2jxj n ARG 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2jxj s LYS 113 N -5.11 0.27 0.24 -0.14 2.20 -0.51 -5.15 119.74 111.54 2jxj s LYS 113 Ca 0.03 -0.21 -0.30 0.00 -0.36 0.00 0.00 55.97 55.13 2jxj s LYS 113 Cb -0.01 0.11 -0.09 0.00 -1.51 0.00 0.00 37.83 36.33 2jxj s LYS 113 CO 0.04 -0.05 0.96 0.42 -0.36 0.00 0.00 175.35 176.36 2jxj s ILE 114 N -0.75 4.01 -0.18 5.43 1.01 -1.26 -1.04 121.20 128.42 2jxj s ILE 114 Ca -0.08 2.01 -0.13 0.00 0.00 0.00 0.00 60.65 62.45 2jxj s ILE 114 Cb -0.05 -4.28 -0.05 0.00 0.01 0.00 0.00 42.46 38.09 2jxj s ILE 114 CO 0.00 0.47 0.26 -0.22 0.00 0.00 0.00 174.94 175.46 2jxj s LEU 115 N -1.16 4.22 0.83 2.97 2.96 -1.25 -4.94 118.68 122.31 2jxj s LEU 115 Ca 0.42 0.43 -0.10 0.00 -0.22 0.00 0.00 54.13 54.66 2jxj s LEU 115 Cb -0.27 -2.31 0.14 0.00 0.50 0.00 0.00 46.19 44.25 2jxj s LEU 115 CO 0.33 0.10 1.16 -0.62 -1.32 0.00 0.00 176.35 176.00 2jxj s ASP 116 N 0.53 3.95 0.14 3.68 2.15 -1.26 -4.94 116.67 120.93 2jxj s ASP 116 Ca 0.15 0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.36 2jxj s ASP 116 Cb -0.13 -0.55 0.00 0.00 -0.30 0.00 0.00 42.92 41.95 2jxj s ASP 116 CO 0.03 -2.17 0.00 0.00 -0.17 0.00 0.00 175.17 172.86 2jxj n LEU 117 N -3.31 0.79 -0.01 -1.34 -0.00 -1.26 -4.53 117.00 107.35 2jxj n LEU 117 Ca 0.13 0.22 -0.09 0.00 -0.00 0.00 0.00 56.01 56.27 2jxj n LEU 117 Cb 0.60 -0.16 -0.03 0.00 -0.00 0.00 0.00 43.42 43.83 2jxj n LEU 117 CO 0.48 -0.76 0.79 0.22 -0.00 0.00 0.00 177.39 178.12 2jxj h TYR 118 N 0.00 -0.25 -0.48 1.47 3.20 -1.97 0.21 116.97 119.14 2jxj h TYR 118 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2jxj h TYR 118 Cb 0.00 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 2jxj h TYR 118 CO 0.00 -0.16 0.25 0.00 -1.64 0.00 0.00 178.16 176.61 2jxj h ALA 119 N 0.99 0.62 -0.34 1.82 0.00 -2.00 -2.38 119.26 117.96 2jxj h ALA 119 Ca 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2jxj h ALA 119 Cb 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2jxj h ALA 119 CO -0.20 0.17 0.19 1.25 0.00 0.00 0.00 179.25 180.65 2jxj h LEU 120 N 0.64 0.43 -1.50 0.00 5.85 -1.70 -2.44 115.31 116.59 2jxj h LEU 120 Ca 0.17 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.86 2jxj h LEU 120 Cb 0.09 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 2jxj h LEU 120 CO -0.02 0.40 0.40 -1.28 -0.34 0.00 0.00 178.44 177.59 2jxj h SER 121 N 0.43 0.54 -0.38 1.25 0.87 -0.44 -2.05 113.55 113.77 2jxj h SER 121 Ca 0.12 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.61 2jxj h SER 121 Cb 0.06 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 2jxj h SER 121 CO -0.02 0.35 -0.02 0.11 -0.53 0.00 0.00 176.83 176.72 2jxj h LYS 122 N 0.61 0.69 -0.31 2.24 1.57 -0.97 -2.53 116.57 117.87 2jxj h LYS 122 Ca 0.26 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2jxj h LYS 122 Cb 0.25 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2jxj h LYS 122 CO -0.08 0.80 0.17 0.82 -0.57 0.00 0.00 179.45 180.59 2jxj h ILE 123 N 0.50 1.01 -0.04 1.86 2.04 -1.00 -1.00 117.51 120.88 2jxj h ILE 123 Ca 0.10 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.86 2jxj h ILE 123 Cb 0.51 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2jxj h ILE 123 CO 0.02 0.06 -0.02 0.58 0.00 0.00 0.00 178.15 178.80 2jxj h VAL 124 N 0.34 0.93 -0.38 1.67 2.07 -1.43 -2.53 116.25 116.92 2jxj h VAL 124 Ca 0.13 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.68 2jxj h VAL 124 Cb 0.03 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2jxj h VAL 124 CO -0.08 0.00 0.17 0.00 0.02 0.00 0.00 177.57 177.68 2jxj h ALA 125 N 1.02 0.46 -0.20 1.67 0.00 -1.25 -0.85 119.26 120.11 2jxj h ALA 125 Ca 0.02 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2jxj h ALA 125 Cb 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jxj h ALA 125 CO -0.05 -0.21 0.21 0.66 0.00 0.00 0.00 179.25 179.86 2jxj h SER 126 N 0.35 0.00 1.08 0.00 4.64 -0.96 0.96 113.55 119.61 2jxj h SER 126 Ca 0.17 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.32 2jxj h SER 126 Cb 0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 2jxj h SER 126 CO -0.14 0.00 -0.97 0.11 -0.87 0.00 0.00 176.83 174.96 2jxj h LYS 127 N 0.00 0.00 0.00 4.77 1.79 -0.77 -3.47 116.57 118.89 2jxj h LYS 127 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2jxj h LYS 127 Cb 0.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 2jxj h LYS 127 CO -0.00 0.59 0.00 0.41 -1.08 0.00 0.00 179.45 179.36 2jxj n GLY 128 N 1.33 0.36 0.00 3.86 0.00 0.32 -4.67 105.19 106.39 2jxj n GLY 128 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 3.41 0.17 -0.02 0.00 -0.63 -4.81 105.19 103.31 2jxj n GLY 129 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.40 -0.32 1.61 7.35 -1.26 -4.15 117.46 118.30 2jxj n PHE 130 Ca 0.00 0.12 -0.03 0.00 -0.76 0.00 0.00 57.45 56.77 2jxj n PHE 130 Cb 0.00 0.70 0.11 0.00 0.35 0.00 0.00 39.48 40.64 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 1.23 -0.57 -4.13 5.08 -1.96 -2.17 114.58 112.05 2jxj h GLU 131 Ca 0.00 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2jxj h GLU 131 Cb 0.00 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 2jxj h GLU 131 CO 0.00 0.89 0.32 0.52 -1.00 0.00 0.00 179.01 179.74 2jxj h MET 132 N 1.23 0.77 -0.37 2.33 2.86 -1.90 -1.56 114.93 118.28 2jxj h MET 132 Ca 0.31 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.80 2jxj h MET 132 Cb 0.02 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 2jxj h MET 132 CO -0.05 0.56 -0.06 0.28 1.06 0.00 0.00 176.91 178.70 2jxj h VAL 133 N 0.78 1.27 -0.30 -2.22 2.07 -1.68 -1.73 116.25 114.45 2jxj h VAL 133 Ca 0.20 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 2jxj h VAL 133 Cb 0.01 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2jxj h VAL 133 CO -0.03 0.37 0.10 0.74 0.02 0.00 0.00 177.57 178.76 2jxj h THR 134 N 0.50 1.20 -0.70 2.57 2.02 -1.09 0.77 112.91 118.18 2jxj h THR 134 Ca 0.10 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 2jxj h THR 134 Cb 0.56 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 2jxj h THR 134 CO 0.03 0.21 0.36 0.11 0.37 0.00 0.00 175.52 176.60 2jxj h LYS 135 N 0.33 0.99 0.00 6.66 1.57 -1.27 -2.05 116.57 122.80 2jxj h LYS 135 Ca 0.10 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2jxj h LYS 135 Cb 0.23 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2jxj h LYS 135 CO -0.00 0.75 -0.48 0.93 -0.57 0.00 0.00 179.45 180.07 2jxj h GLU 136 N 0.99 0.00 -3.95 3.15 5.08 -1.07 -3.48 114.58 115.29 2jxj h GLU 136 Ca 0.25 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.30 2jxj h GLU 136 Cb 0.07 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.39 2jxj h GLU 136 CO -0.04 0.00 -0.48 1.63 -1.00 0.00 0.00 179.01 179.13 2jxj n LYS 137 N -2.19 -4.66 -0.23 2.33 5.02 0.26 -4.90 118.16 113.78 2jxj n LYS 137 Ca 0.04 0.66 0.06 0.00 -2.02 0.00 0.00 58.31 57.04 2jxj n LYS 137 Cb 0.44 -5.05 0.18 0.00 -0.02 0.00 0.00 35.03 30.59 2jxj n LYS 137 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2jxj n LYS 138 N -3.49 2.06 -0.09 1.97 5.02 -0.37 -4.13 118.16 119.13 2jxj n LYS 138 Ca -0.05 -1.48 -0.07 0.00 -2.02 0.00 0.00 58.31 54.70 2jxj n LYS 138 Cb 0.57 -1.38 0.11 0.00 -0.02 0.00 0.00 35.03 34.32 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 2.34 0.85 -0.36 2.13 4.06 -1.91 -2.62 115.95 120.43 2jxj h TRP 139 Ca 0.00 -0.17 -0.09 0.00 2.06 0.00 0.00 58.89 60.69 2jxj h TRP 139 Cb 0.62 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.55 2jxj h TRP 139 CO 0.30 0.87 -0.13 0.77 -3.56 0.00 0.00 178.44 176.70 2jxj h SER 140 N 0.68 0.63 -0.15 -3.49 0.02 -1.86 -2.75 113.55 106.62 2jxj h SER 140 Ca 0.10 -0.18 -0.10 0.00 -0.84 0.00 0.00 61.79 60.77 2jxj h SER 140 Cb 0.66 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2jxj h SER 140 CO 0.05 0.79 -0.24 0.11 -1.14 0.00 0.00 176.83 176.39 2jxj h LYS 141 N 0.59 0.60 -0.25 3.45 1.57 -1.77 -2.37 116.57 118.39 2jxj h LYS 141 Ca 0.10 -0.24 0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2jxj h LYS 141 Cb 0.56 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2jxj h LYS 141 CO 0.04 0.80 0.13 0.28 -0.57 0.00 0.00 179.45 180.12 2jxj h VAL 142 N 0.53 1.00 -0.17 0.50 2.07 -1.17 -2.52 116.25 116.49 2jxj h VAL 142 Ca 0.07 -0.09 -0.11 0.00 0.82 0.00 0.00 66.70 67.39 2jxj h VAL 142 Cb 0.70 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2jxj h VAL 142 CO 0.05 0.05 -0.39 1.23 0.02 0.00 0.00 177.57 178.54 2jxj h GLY 143 N 0.27 0.40 1.32 2.17 0.00 -1.45 -2.95 103.07 102.83 2jxj h GLY 143 Ca 0.10 -0.38 0.02 0.00 0.00 0.00 0.00 47.33 47.07 2jxj h GLY 143 CO -0.07 0.34 0.42 1.76 0.00 0.00 0.00 176.54 179.00 2jxj h SER 144 N 0.31 0.70 0.20 0.19 0.02 -1.03 -1.11 113.55 112.83 2jxj h SER 144 Ca 0.03 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.88 2jxj h SER 144 Cb 0.82 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 2jxj h SER 144 CO 0.07 0.49 -0.34 0.03 -1.14 0.00 0.00 176.83 175.94 2jxj h ARG 145 N 0.81 0.20 0.16 3.45 3.08 -1.28 -3.31 114.38 117.50 2jxj h ARG 145 Ca 0.24 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 2jxj h ARG 145 Cb -0.02 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2jxj h ARG 145 CO -0.06 0.52 -0.08 -0.07 -1.07 0.00 0.00 179.97 179.22 2jxj h LEU 146 N 0.18 -0.18 0.00 3.04 3.38 -1.23 -3.49 115.31 117.02 2jxj h LEU 146 Ca 0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jxj h LEU 146 Cb 0.69 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2jxj h LEU 146 CO 0.05 -0.01 0.00 0.61 0.09 0.00 0.00 178.44 179.18 2jxj n GLY 147 N 0.67 -0.84 3.59 0.83 0.00 -0.75 -5.14 105.19 103.56 2jxj n GLY 147 Ca -0.03 0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 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 2.87 0.34 1.61 2.02 -1.20 -4.97 117.35 118.02 2jxj s TYR 148 Ca 0.00 -0.06 -0.09 0.00 -0.37 0.00 0.00 57.07 56.56 2jxj s TYR 148 Cb 0.00 -1.58 -0.06 0.00 -0.40 0.00 0.00 41.96 39.92 2jxj s TYR 148 CO 0.00 0.38 0.66 -0.51 -1.57 0.00 0.00 175.55 174.51 2jxj s LEU 149 N -1.55 3.96 0.60 -1.29 1.43 -1.26 -4.79 118.68 115.79 2jxj s LEU 149 Ca 0.18 0.96 -0.18 0.00 -1.03 0.00 0.00 54.13 54.06 2jxj s LEU 149 Cb -0.11 -3.80 -0.03 0.00 0.03 0.00 0.00 46.19 42.28 2jxj s LEU 149 CO 0.09 -0.28 1.18 -2.16 0.23 0.00 0.00 176.35 175.41 2jxj s PRO 150 N -3.59 2.97 0.00 1.29 0.04 -1.26 -4.95 135.00 129.50 2jxj s PRO 150 Ca 0.48 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.26 2jxj s PRO 150 Cb -0.11 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2jxj s PRO 150 CO 0.29 -1.18 0.00 0.41 0.04 0.00 0.00 177.00 176.56 2jxj n GLY 151 N 0.34 -0.93 3.46 0.56 0.00 -1.26 -5.06 105.19 102.30 2jxj n GLY 151 Ca 0.13 -0.96 -0.44 0.00 0.00 0.00 0.00 46.02 44.76 2jxj n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jxj s LYS 152 N -1.07 3.69 0.00 1.61 1.02 -1.26 -4.77 119.74 118.96 2jxj s LYS 152 Ca 0.00 -1.87 0.00 0.00 0.02 0.00 0.00 55.97 54.12 2jxj s LYS 152 Cb 0.00 -4.98 0.00 0.00 -0.52 0.00 0.00 37.83 32.33 2jxj s LYS 152 CO 0.00 -1.81 0.00 0.41 -0.92 0.00 0.00 175.35 173.03 2jxj n GLY 153 N 5.33 0.65 5.09 -3.33 0.00 -1.26 -5.05 105.19 106.62 2jxj n GLY 153 Ca 0.27 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2jxj n GLY 153 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2jxj n THR 154 N 0.00 0.00 -0.28 2.61 -1.04 -1.26 -3.74 114.28 110.57 2jxj n THR 154 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 2jxj n THR 154 Cb 0.00 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 68.62 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 0.00 1.24 1.32 3.41 0.00 -1.90 -1.17 103.07 105.97 2jxj h GLY 155 Ca 0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 47.33 46.60 2jxj h GLY 155 CO 0.00 0.58 -0.31 1.76 0.00 0.00 0.00 176.54 178.57 2jxj h SER 156 N 1.15 0.79 -0.42 0.19 0.02 -1.94 -2.60 113.55 110.74 2jxj h SER 156 Ca 0.28 -0.32 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 2jxj h SER 156 Cb 0.11 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2jxj h SER 156 CO -0.04 1.04 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.57 2jxj h LEU 157 N 0.64 0.77 -1.03 5.07 3.38 -1.76 -2.77 115.31 119.61 2jxj h LEU 157 Ca 0.07 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2jxj h LEU 157 Cb 0.84 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 2jxj h LEU 157 CO 0.07 0.93 0.46 -0.07 0.09 0.00 0.00 178.44 179.92 2jxj h LEU 158 N 0.60 1.01 -0.65 1.67 3.38 -1.15 -1.29 115.31 118.88 2jxj h LEU 158 Ca 0.11 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2jxj h LEU 158 Cb 0.57 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2jxj h LEU 158 CO 0.03 0.80 0.35 0.50 0.09 0.00 0.00 178.44 180.21 2jxj h LYS 159 N 1.14 0.92 -0.31 1.13 3.11 -1.32 0.62 116.57 121.86 2jxj h LYS 159 Ca 0.29 -0.11 -0.06 0.00 -2.81 0.00 0.00 60.65 57.95 2jxj h LYS 159 Cb 0.01 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.05 2jxj h LYS 159 CO -0.05 0.70 -0.06 0.77 -2.81 0.00 0.00 179.45 178.01 2jxj h SER 160 N 0.89 0.59 -0.64 4.20 0.02 -1.17 -2.15 113.55 115.30 2jxj h SER 160 Ca 0.23 -0.35 -0.05 0.00 -0.84 0.00 0.00 61.79 60.78 2jxj h SER 160 Cb 0.06 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 2jxj h SER 160 CO -0.03 0.80 0.21 0.45 -1.14 0.00 0.00 176.83 177.12 2jxj h HIS 161 N 0.37 1.02 -0.09 3.45 3.86 -1.04 -3.02 115.15 119.70 2jxj h HIS 161 Ca 0.08 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2jxj h HIS 161 Cb 0.53 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.70 2jxj h HIS 161 CO 0.05 0.83 0.06 -0.92 0.86 0.00 0.00 177.93 178.81 2jxj h TYR 162 N 0.92 0.12 -2.20 2.45 3.20 -0.80 -3.24 116.97 117.42 2jxj h TYR 162 Ca 0.21 0.00 -0.78 0.00 3.14 0.00 0.00 58.73 61.30 2jxj h TYR 162 Cb 0.28 -0.04 -0.21 0.00 1.54 0.00 0.00 36.73 38.30 2jxj h TYR 162 CO 0.02 0.08 1.38 -1.91 -1.64 0.00 0.00 178.16 176.09 2jxj n GLU 163 N -5.02 3.93 0.00 1.82 4.07 -0.81 -0.41 120.64 124.22 2jxj n GLU 163 Ca -0.05 -4.02 0.00 0.00 -0.06 0.00 0.00 57.16 53.03 2jxj n GLU 163 Cb 0.03 -2.75 0.00 0.00 -0.06 0.00 0.00 31.44 28.66 2jxj n GLU 163 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2jxj n ARG 164 N 2.96 0.00 0.00 5.31 5.12 -1.22 -4.85 116.66 123.97 2jxj n ARG 164 Ca 0.33 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.25 2jxj n ARG 164 Cb 0.36 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.66 2jxj n ARG 164 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2jxj n ILE 165 N -1.56 0.00 0.00 0.55 -0.00 -1.25 -4.81 119.36 112.30 2jxj n ILE 165 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2jxj n ILE 165 Cb 0.00 -0.40 0.00 0.00 -0.00 0.00 0.00 39.64 39.24 2jxj n ILE 165 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 2jxj n LEU 166 N -2.13 0.87 -0.26 1.39 7.94 -1.23 -3.44 117.00 120.14 2jxj n LEU 166 Ca 0.00 0.40 -0.04 0.00 -1.11 0.00 0.00 56.01 55.25 2jxj n LEU 166 Cb 0.21 -0.33 0.01 0.00 0.53 0.00 0.00 43.42 43.84 2jxj n LEU 166 CO 0.00 -0.33 0.61 0.22 -1.11 0.00 0.00 177.39 176.78 2jxj h TYR 167 N 0.00 -1.02 -0.30 1.96 3.20 -1.04 0.32 116.97 120.09 2jxj h TYR 167 Ca 0.00 0.08 0.09 0.00 3.14 0.00 0.00 58.73 62.04 2jxj h TYR 167 Cb 0.00 0.55 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 2jxj h TYR 167 CO 0.02 -0.39 0.33 -1.00 -1.64 0.00 0.00 178.16 175.48 2jxj h PRO 168 N -0.12 0.00 0.11 1.82 0.13 -1.76 -2.30 132.00 129.88 2jxj h PRO 168 Ca 0.26 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.40 2jxj h PRO 168 Cb 0.56 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 2jxj h PRO 168 CO -0.78 0.00 -0.19 -0.92 -0.23 0.00 0.00 178.00 175.88 2jxj h TYR 169 N 0.00 -0.49 -0.12 1.56 3.20 -0.38 -0.60 116.97 120.14 2jxj h TYR 169 Ca 0.14 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.05 2jxj h TYR 169 Cb 0.81 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.26 2jxj h TYR 169 CO 0.00 -0.28 -0.03 0.93 -1.64 0.00 0.00 178.16 177.15 2jxj h GLU 170 N -0.36 0.00 -0.87 1.82 5.08 -1.47 -2.11 114.58 116.66 2jxj h GLU 170 Ca 0.02 -0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.51 2jxj h GLU 170 Cb 0.38 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 2jxj h GLU 170 CO -0.10 0.00 0.56 -0.07 -1.00 0.00 0.00 179.01 178.40 2jxj h LEU 171 N 0.00 0.69 -1.03 1.33 3.38 -1.50 0.45 115.31 118.63 2jxj h LEU 171 Ca 0.06 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2jxj h LEU 171 Cb 0.09 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 2jxj h LEU 171 CO -0.12 0.38 0.65 0.15 0.09 0.00 0.00 178.44 179.58 2jxj h PHE 172 N 0.75 1.21 0.16 1.13 3.04 -0.41 1.03 116.94 123.85 2jxj h PHE 172 Ca 0.42 0.03 -0.30 0.00 3.98 0.00 0.00 57.97 62.10 2jxj h PHE 172 Cb 0.59 -0.41 0.01 0.00 2.56 0.00 0.00 35.95 38.70 2jxj h PHE 172 CO -0.00 0.70 -1.50 1.96 -2.02 0.00 0.00 178.31 177.45 2jxj h GLN 173 N 1.26 0.34 -1.01 1.11 4.20 -0.96 -3.33 115.11 116.71 2jxj h GLN 173 Ca 0.39 -0.58 -0.49 0.00 0.06 0.00 0.00 58.65 58.04 2jxj h GLN 173 Cb -0.01 0.21 -0.28 0.00 0.30 0.00 0.00 27.48 27.70 2jxj h GLN 173 CO -0.12 1.28 0.62 0.43 -0.67 0.00 0.00 178.83 180.37 2jxj n SER 174 N -3.79 4.10 -0.67 1.46 7.64 0.14 -5.13 113.62 117.37 2jxj n SER 174 Ca -0.23 -3.49 0.13 0.00 1.01 0.00 0.00 58.87 56.29 2jxj n SER 174 Cb 0.98 -0.83 0.35 0.00 -1.01 0.00 0.00 64.21 63.70 2jxj n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64