#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxj h PRO 81 N 0.00 0.00 -1.65 1.61 0.13 -2.12 -3.15 132.00 126.81 2jxj h PRO 81 Ca 0.00 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.42 2jxj h PRO 81 Cb 0.00 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 30.82 2jxj h PRO 81 CO 0.00 0.03 0.59 1.28 -0.23 0.00 0.00 178.00 179.67 2jxj n LEU 82 N -3.14 6.89 -2.96 1.56 4.77 -1.26 -4.70 117.00 118.17 2jxj n LEU 82 Ca 0.00 -4.80 -0.21 0.00 -0.03 0.00 0.00 56.01 50.97 2jxj n LEU 82 Cb 0.32 -0.90 -0.02 0.00 -2.33 0.00 0.00 43.42 40.49 2jxj n LEU 82 CO 0.28 1.82 -0.04 0.61 -1.33 0.00 0.00 177.39 178.73 2jxj n GLY 83 N -0.61 4.29 0.64 -0.72 0.00 -1.19 -4.78 105.19 102.81 2jxj n GLY 83 Ca 0.52 -2.13 0.01 0.00 0.00 0.00 0.00 46.02 44.42 2jxj n GLY 83 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jxj n SER 84 N -0.03 0.31 -0.03 1.61 3.41 -1.26 -4.86 113.62 112.77 2jxj n SER 84 Ca 0.26 -2.08 -0.13 0.00 -0.26 0.00 0.00 58.87 56.67 2jxj n SER 84 Cb 0.59 -0.23 -0.11 0.00 -0.26 0.00 0.00 64.21 64.20 2jxj n SER 84 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2jxj h ARG 85 N 0.17 -0.03 -0.55 4.33 3.08 -1.98 -2.59 114.38 116.80 2jxj h ARG 85 Ca -0.04 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 2jxj h ARG 85 Cb 1.45 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.49 2jxj h ARG 85 CO 0.02 0.65 -0.08 -0.39 -1.07 0.00 0.00 179.97 179.09 2jxj h VAL 86 N -0.78 1.27 -0.54 2.04 -1.51 -1.99 -2.10 116.25 112.63 2jxj h VAL 86 Ca -0.00 -1.23 -0.01 0.00 -1.23 0.00 0.00 66.70 64.22 2jxj h VAL 86 Cb 0.70 0.93 -0.03 0.00 -2.13 0.00 0.00 31.29 30.76 2jxj h VAL 86 CO 0.01 0.44 0.29 -0.09 -1.23 0.00 0.00 177.57 176.99 2jxj h ARG 87 N 0.91 0.75 -0.45 5.19 2.43 -1.89 -1.95 114.38 119.37 2jxj h ARG 87 Ca 0.15 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2jxj h ARG 87 Cb 0.64 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2jxj h ARG 87 CO 0.04 0.58 0.10 -0.07 -1.51 0.00 0.00 179.97 179.11 2jxj h LEU 88 N 0.72 0.69 -0.74 3.80 4.07 -1.36 -2.47 115.31 120.03 2jxj h LEU 88 Ca 0.19 -0.24 0.04 0.00 0.08 0.00 0.00 57.88 57.95 2jxj h LEU 88 Cb 0.05 -0.18 -0.05 0.00 1.08 0.00 0.00 40.66 41.56 2jxj h LEU 88 CO -0.03 0.76 0.45 0.44 -1.08 0.00 0.00 178.44 178.98 2jxj h ASP 89 N 0.60 0.72 -0.57 -0.43 5.19 -1.15 -2.02 116.42 118.76 2jxj h ASP 89 Ca 0.14 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.53 2jxj h ASP 89 Cb 0.34 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.69 2jxj h ASP 89 CO 0.00 0.49 0.24 0.15 -3.12 0.00 0.00 179.24 177.00 2jxj h PHE 90 N 0.86 0.85 -0.29 4.55 3.57 -1.21 -2.42 116.94 122.86 2jxj h PHE 90 Ca 0.31 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2jxj h PHE 90 Cb 0.08 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 2jxj h PHE 90 CO -0.05 0.68 0.18 1.25 -2.23 0.00 0.00 178.31 178.15 2jxj h LEU 91 N 0.77 0.33 -0.28 0.59 5.85 -0.95 -0.38 115.31 121.25 2jxj h LEU 91 Ca 0.19 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 2jxj h LEU 91 Cb 0.18 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2jxj h LEU 91 CO -0.02 0.25 0.02 -0.78 -0.34 0.00 0.00 178.44 177.57 2jxj h ASP 92 N 0.39 0.47 0.29 1.25 1.82 -0.89 -0.98 116.42 118.78 2jxj h ASP 92 Ca 0.10 -0.29 -0.14 0.00 -0.39 0.00 0.00 57.03 56.31 2jxj h ASP 92 Cb -0.03 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 39.84 2jxj h ASP 92 CO -0.02 0.64 -0.57 1.56 -1.61 0.00 0.00 179.24 179.24 2jxj h GLN 93 N 0.29 0.29 0.07 0.28 1.08 -1.22 -0.48 115.11 115.42 2jxj h GLN 93 Ca 0.08 -0.19 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2jxj h GLN 93 Cb 0.39 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2jxj h GLN 93 CO 0.01 0.78 -0.03 1.25 -0.95 0.00 0.00 178.83 179.88 2jxj h LEU 94 N 0.22 -0.08 -0.56 1.46 5.85 -0.95 -0.20 115.31 121.04 2jxj h LEU 94 Ca -0.00 -0.31 -0.15 0.00 0.84 0.00 0.00 57.88 58.27 2jxj h LEU 94 Cb 1.06 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2jxj h LEU 94 CO 0.09 0.27 -0.43 0.00 -0.34 0.00 0.00 178.44 178.03 2jxj h ALA 95 N 0.45 0.74 -0.51 1.25 0.00 -1.21 -2.58 119.26 117.42 2jxj h ALA 95 Ca -0.01 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 2jxj h ALA 95 Cb 0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2jxj h ALA 95 CO 0.02 0.66 -0.09 0.87 0.00 0.00 0.00 179.25 180.71 2jxj h LYS 96 N 0.53 0.95 -0.06 0.00 1.57 -1.09 -0.71 116.57 117.76 2jxj h LYS 96 Ca 0.04 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 2jxj h LYS 96 Cb 0.97 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 2jxj h LYS 96 CO 0.09 1.01 0.01 0.35 -0.57 0.00 0.00 179.45 180.34 2jxj h PHE 97 N 0.81 0.10 -0.27 -1.35 3.04 -0.99 -2.97 116.94 115.32 2jxj h PHE 97 Ca 0.13 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.00 2jxj h PHE 97 Cb 0.64 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.10 2jxj h PHE 97 CO 0.05 0.30 -0.15 -1.49 -2.02 0.00 0.00 178.31 174.99 2jxj h TRP 98 N -0.12 0.50 -0.82 0.41 4.06 -1.45 -2.88 115.95 115.65 2jxj h TRP 98 Ca 0.02 -0.08 0.08 0.00 2.06 0.00 0.00 58.89 60.97 2jxj h TRP 98 Cb 0.25 -0.13 -0.07 0.00 -1.00 0.00 0.00 29.16 28.21 2jxj h TRP 98 CO 0.01 0.60 0.48 1.49 -3.56 0.00 0.00 178.44 177.45 2jxj h GLU 99 N 0.43 0.81 -0.92 0.49 4.81 -0.98 -1.26 114.58 117.95 2jxj h GLU 99 Ca 0.08 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2jxj h GLU 99 Cb 0.52 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 2jxj h GLU 99 CO 0.03 0.54 0.60 -0.07 -0.73 0.00 0.00 179.01 179.38 2jxj h LEU 100 N 0.84 1.02 -0.52 1.64 3.38 -1.35 -2.32 115.31 117.99 2jxj h LEU 100 Ca 0.38 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2jxj h LEU 100 Cb 0.28 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2jxj h LEU 100 CO -0.21 0.71 0.34 1.56 0.09 0.00 0.00 178.44 180.93 2jxj h GLN 101 N 1.19 0.69 0.00 1.13 7.50 -1.27 -3.47 115.11 120.87 2jxj h GLN 101 Ca 0.35 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.46 2jxj h GLN 101 Cb -0.05 -0.15 0.00 0.00 0.05 0.00 0.00 27.48 27.33 2jxj h GLN 101 CO -0.10 0.46 0.00 0.41 -1.50 0.00 0.00 178.83 178.11 2jxj n GLY 102 N -1.22 1.83 0.01 3.46 0.00 -0.87 -5.02 105.19 103.38 2jxj n GLY 102 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 1.95 -1.97 1.61 2.88 -1.22 -5.07 113.62 111.79 2jxj n SER 103 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jxj n SER 103 Cb 0.00 1.52 0.00 0.00 -0.75 0.00 0.00 64.21 64.98 2jxj n SER 103 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2jxj n THR 104 N -2.02 -8.53 -2.90 2.46 -2.24 -1.25 -4.90 114.28 94.90 2jxj n THR 104 Ca -0.04 2.99 -0.40 0.00 -2.27 0.00 0.00 64.05 64.32 2jxj n THR 104 Cb 0.41 -4.22 -0.04 0.00 -2.10 0.00 0.00 70.33 64.37 2jxj n THR 104 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2jxj s LEU 105 N -1.54 4.42 -0.07 3.22 0.20 -1.26 -4.94 118.68 118.71 2jxj s LEU 105 Ca 0.00 1.50 0.04 0.00 0.69 0.00 0.00 54.13 56.36 2jxj s LEU 105 Cb 0.00 -3.33 0.00 0.00 -0.43 0.00 0.00 46.19 42.43 2jxj s LEU 105 CO 0.00 -0.08 -0.19 -0.54 -0.29 0.00 0.00 176.35 175.25 2jxj s LYS 106 N 0.33 2.29 -0.57 1.98 1.02 -1.26 -5.05 119.74 118.48 2jxj s LYS 106 Ca 0.42 -0.69 -0.18 0.00 0.02 0.00 0.00 55.97 55.54 2jxj s LYS 106 Cb -0.21 -1.85 0.11 0.00 -0.52 0.00 0.00 37.83 35.36 2jxj s LYS 106 CO 0.24 0.19 0.62 0.42 -0.92 0.00 0.00 175.35 175.91 2jxj s ILE 107 N 0.26 4.97 1.04 2.17 1.01 -1.26 -5.06 121.20 124.33 2jxj s ILE 107 Ca -0.11 -1.17 -0.15 0.00 0.00 0.00 0.00 60.65 59.22 2jxj s ILE 107 Cb -0.15 -4.43 0.21 0.00 0.01 0.00 0.00 42.46 38.10 2jxj s ILE 107 CO 0.05 -1.02 1.13 -2.16 0.00 0.00 0.00 174.94 172.94 2jxj s PRO 108 N 2.27 0.06 -0.22 2.79 0.04 -1.26 -5.06 135.00 133.62 2jxj s PRO 108 Ca 0.08 0.19 0.01 0.00 0.04 0.00 0.00 61.00 61.32 2jxj s PRO 108 Cb -0.26 -1.72 0.05 0.00 0.04 0.00 0.00 34.50 32.61 2jxj s PRO 108 CO 0.05 -2.91 -0.07 0.08 0.04 0.00 0.00 177.00 174.19 2jxj s VAL 109 N -3.13 1.59 -0.16 -0.36 1.01 -1.26 -4.34 120.40 113.74 2jxj s VAL 109 Ca 0.67 -1.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 2jxj s VAL 109 Cb -0.14 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 2jxj s VAL 109 CO 0.56 -0.00 0.00 -0.69 0.00 0.00 0.00 175.10 174.97 2jxj s VAL 110 N 1.38 4.26 -1.51 2.92 1.01 -0.08 -4.47 120.40 123.92 2jxj s VAL 110 Ca -0.04 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.66 2jxj s VAL 110 Cb -0.18 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.33 2jxj s VAL 110 CO -0.07 0.50 0.62 -0.62 0.00 0.00 0.00 175.10 175.53 2jxj n GLU 111 N 3.36 -4.93 -2.77 2.72 -0.58 -1.26 -1.61 120.64 115.57 2jxj n GLU 111 Ca -0.17 0.88 -0.22 0.00 -0.42 0.00 0.00 57.16 57.23 2jxj n GLU 111 Cb 0.52 -5.70 0.02 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 -3.98 -3.64 -3.69 3.49 3.00 -1.26 -4.96 116.66 105.62 2jxj n ARG 112 Ca -0.11 0.96 -0.10 0.00 -0.00 0.00 0.00 57.85 58.60 2jxj n ARG 112 Cb 0.62 -5.75 -0.04 0.00 0.00 0.00 0.00 32.46 27.29 2jxj n ARG 112 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2jxj s LYS 113 N -5.45 1.34 0.00 -0.14 1.02 -0.63 -5.14 119.74 110.74 2jxj s LYS 113 Ca 0.18 -0.79 -0.30 0.00 0.02 0.00 0.00 55.97 55.08 2jxj s LYS 113 Cb -0.08 0.53 -0.05 0.00 -0.52 0.00 0.00 37.83 37.71 2jxj s LYS 113 CO 0.23 -0.57 1.25 0.42 -0.92 0.00 0.00 175.35 175.76 2jxj s ILE 114 N -3.85 4.02 0.01 2.17 1.01 -1.26 -0.91 121.20 122.39 2jxj s ILE 114 Ca 0.07 1.40 -0.27 0.00 0.00 0.00 0.00 60.65 61.85 2jxj s ILE 114 Cb -0.01 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 2jxj s ILE 114 CO -0.05 0.04 0.85 -0.22 0.00 0.00 0.00 174.94 175.56 2jxj s LEU 115 N 1.82 4.39 1.09 2.97 0.20 -1.26 -4.91 118.68 122.99 2jxj s LEU 115 Ca 0.59 1.50 -0.12 0.00 0.69 0.00 0.00 54.13 56.78 2jxj s LEU 115 Cb -0.28 -3.36 0.24 0.00 -0.43 0.00 0.00 46.19 42.36 2jxj s LEU 115 CO 0.26 -0.13 1.06 -0.62 -0.29 0.00 0.00 176.35 176.62 2jxj s ASP 116 N 0.57 1.64 0.28 3.68 -1.08 -1.26 -5.00 116.67 115.50 2jxj s ASP 116 Ca 0.44 1.43 0.00 0.00 -0.52 0.00 0.00 52.55 53.91 2jxj s ASP 116 Cb -0.20 -2.16 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 2jxj s ASP 116 CO 0.24 -3.78 0.00 0.18 0.52 0.00 0.00 175.17 172.34 2jxj n LEU 117 N -4.63 -0.42 0.08 -1.34 4.77 -1.26 -4.73 117.00 109.47 2jxj n LEU 117 Ca 0.04 0.48 -0.12 0.00 -0.03 0.00 0.00 56.01 56.38 2jxj n LEU 117 Cb 0.55 0.60 -0.06 0.00 -2.33 0.00 0.00 43.42 42.18 2jxj n LEU 117 CO 0.57 -0.70 0.82 0.22 -1.33 0.00 0.00 177.39 176.97 2jxj h TYR 118 N 0.00 -0.20 -0.71 -1.77 5.03 -1.96 0.01 116.97 117.37 2jxj h TYR 118 Ca 0.00 0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.26 2jxj h TYR 118 Cb 0.00 0.08 -0.03 0.00 1.55 0.00 0.00 36.73 38.33 2jxj h TYR 118 CO 0.00 -0.12 0.23 0.00 -1.32 0.00 0.00 178.16 176.95 2jxj h ALA 119 N 0.76 1.06 -0.66 1.82 0.00 -2.01 -2.83 119.26 117.40 2jxj h ALA 119 Ca 0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2jxj h ALA 119 Cb 0.17 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2jxj h ALA 119 CO -0.03 0.64 0.25 1.25 0.00 0.00 0.00 179.25 181.35 2jxj h LEU 120 N 1.05 0.93 -0.97 0.00 5.85 -1.78 -2.26 115.31 118.13 2jxj h LEU 120 Ca 0.23 -0.18 0.05 0.00 0.84 0.00 0.00 57.88 58.82 2jxj h LEU 120 Cb 0.28 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 2jxj h LEU 120 CO -0.01 0.86 0.63 -1.28 -0.34 0.00 0.00 178.44 178.30 2jxj h SER 121 N 0.94 1.02 -0.31 1.25 0.87 -0.76 -1.55 113.55 115.01 2jxj h SER 121 Ca 0.22 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.70 2jxj h SER 121 Cb 0.24 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2jxj h SER 121 CO -0.01 0.67 -0.12 0.11 -0.53 0.00 0.00 176.83 176.95 2jxj h LYS 122 N 1.17 0.62 -0.75 2.24 1.57 -1.32 -2.94 116.57 117.16 2jxj h LYS 122 Ca 0.40 -0.26 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2jxj h LYS 122 Cb 0.09 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2jxj h LYS 122 CO -0.15 0.83 0.48 0.82 -0.57 0.00 0.00 179.45 180.86 2jxj h ILE 123 N 0.38 1.12 -0.06 1.86 2.04 -0.92 -2.00 117.51 119.93 2jxj h ILE 123 Ca 0.07 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.62 2jxj h ILE 123 Cb 0.63 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2jxj h ILE 123 CO 0.04 0.17 -0.02 0.58 0.00 0.00 0.00 178.15 178.92 2jxj h VAL 124 N 0.94 0.92 -0.61 1.67 2.07 -1.25 -2.67 116.25 117.32 2jxj h VAL 124 Ca 0.30 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.86 2jxj h VAL 124 Cb -0.00 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 2jxj h VAL 124 CO -0.10 0.00 0.35 0.00 0.02 0.00 0.00 177.57 177.84 2jxj h ALA 125 N 1.05 0.81 -0.24 1.67 0.00 -1.31 -0.96 119.26 120.28 2jxj h ALA 125 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2jxj h ALA 125 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jxj h ALA 125 CO -0.07 0.05 0.21 0.66 0.00 0.00 0.00 179.25 180.10 2jxj h SER 126 N 0.67 0.00 1.13 0.00 4.64 -1.07 0.62 113.55 119.53 2jxj h SER 126 Ca 0.26 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.42 2jxj h SER 126 Cb 0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2jxj h SER 126 CO -0.15 0.00 -0.91 0.11 -0.87 0.00 0.00 176.83 175.01 2jxj h LYS 127 N 0.00 0.00 0.00 4.77 1.79 -0.88 -3.47 116.57 118.78 2jxj h LYS 127 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2jxj h LYS 127 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 2jxj h LYS 127 CO -0.00 0.60 0.00 0.41 -1.08 0.00 0.00 179.45 179.38 2jxj n GLY 128 N 1.32 0.36 0.00 3.86 0.00 0.20 -4.70 105.19 106.23 2jxj n GLY 128 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 3.07 0.16 -0.02 0.00 -0.77 -4.83 105.19 102.81 2jxj n GLY 129 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.84 -0.24 1.61 7.35 -1.26 -4.05 117.46 119.03 2jxj n PHE 130 Ca 0.00 0.09 -0.08 0.00 -0.76 0.00 0.00 57.45 56.70 2jxj n PHE 130 Cb 0.00 0.53 0.04 0.00 0.35 0.00 0.00 39.48 40.40 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 1.12 -0.33 -4.13 5.08 -1.96 -2.62 114.58 111.74 2jxj h GLU 131 Ca 0.00 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 2jxj h GLU 131 Cb 0.00 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2jxj h GLU 131 CO 0.00 1.03 0.17 1.98 -1.00 0.00 0.00 179.01 181.18 2jxj h MET 132 N 1.04 0.45 -0.56 2.33 4.05 -1.91 -1.92 114.93 118.41 2jxj h MET 132 Ca 0.20 -0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.47 2jxj h MET 132 Cb 0.46 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 2jxj h MET 132 CO 0.01 0.34 -0.09 0.28 0.23 0.00 0.00 176.91 177.69 2jxj h VAL 133 N 0.45 1.27 -0.22 -5.77 2.07 -1.75 -1.70 116.25 110.60 2jxj h VAL 133 Ca 0.12 -1.25 -0.05 0.00 0.82 0.00 0.00 66.70 66.34 2jxj h VAL 133 Cb 0.04 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2jxj h VAL 133 CO -0.02 0.44 -0.04 0.74 0.02 0.00 0.00 177.57 178.72 2jxj h THR 134 N 0.93 1.28 -0.71 2.57 2.02 -1.24 0.81 112.91 118.57 2jxj h THR 134 Ca 0.15 -1.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.30 2jxj h THR 134 Cb 0.66 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 2jxj h THR 134 CO 0.05 0.31 0.35 0.11 0.37 0.00 0.00 175.52 176.71 2jxj h LYS 135 N 0.15 1.00 0.00 6.66 1.57 -1.33 -2.40 116.57 122.22 2jxj h LYS 135 Ca 0.06 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 2jxj h LYS 135 Cb 0.48 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 2jxj h LYS 135 CO 0.02 0.76 -0.72 0.93 -0.57 0.00 0.00 179.45 179.87 2jxj h GLU 136 N 1.00 0.00 -3.97 3.15 4.39 -1.21 -3.48 114.58 114.46 2jxj h GLU 136 Ca 0.25 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.65 2jxj h GLU 136 Cb 0.08 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 28.81 2jxj h GLU 136 CO -0.03 0.11 -0.47 1.17 -1.16 0.00 0.00 179.01 178.62 2jxj n LYS 137 N -2.90 -4.73 -0.18 2.33 4.81 0.28 -4.90 118.16 112.86 2jxj n LYS 137 Ca -0.00 0.63 0.06 0.00 -0.87 0.00 0.00 58.31 58.14 2jxj n LYS 137 Cb 0.61 -4.99 0.18 0.00 0.02 0.00 0.00 35.03 30.85 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 -3.47 1.85 -0.02 1.64 5.02 -0.84 -4.10 118.16 118.23 2jxj n LYS 138 Ca -0.04 -1.32 -0.03 0.00 -2.02 0.00 0.00 58.31 54.91 2jxj n LYS 138 Cb 0.57 -1.29 0.22 0.00 -0.02 0.00 0.00 35.03 34.50 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 2.16 0.63 -0.34 2.13 4.06 -1.91 -2.48 115.95 120.20 2jxj h TRP 139 Ca 0.00 -0.10 -0.04 0.00 2.06 0.00 0.00 58.89 60.82 2jxj h TRP 139 Cb 0.49 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.47 2jxj h TRP 139 CO 0.24 0.67 0.06 0.77 -3.56 0.00 0.00 178.44 176.61 2jxj h SER 140 N 0.54 0.47 -0.03 -3.49 0.02 -1.88 -2.39 113.55 106.79 2jxj h SER 140 Ca 0.10 -0.07 -0.18 0.00 -0.84 0.00 0.00 61.79 60.80 2jxj h SER 140 Cb 0.50 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 2jxj h SER 140 CO 0.03 0.50 -0.61 0.11 -1.14 0.00 0.00 176.83 175.72 2jxj h LYS 141 N 0.50 0.63 -0.61 3.45 6.56 -1.74 -2.94 116.57 122.44 2jxj h LYS 141 Ca 0.11 -0.43 0.01 0.00 -1.06 0.00 0.00 60.65 59.28 2jxj h LYS 141 Cb 0.24 0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 31.93 2jxj h LYS 141 CO 0.00 1.05 0.40 0.28 -2.06 0.00 0.00 179.45 179.12 2jxj h VAL 142 N 0.47 1.15 -0.60 0.50 2.07 -1.08 -2.26 116.25 116.50 2jxj h VAL 142 Ca -0.00 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 2jxj h VAL 142 Cb 1.18 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 2jxj h VAL 142 CO 0.12 0.15 0.17 1.23 0.02 0.00 0.00 177.57 179.25 2jxj h GLY 143 N 0.81 1.02 1.41 2.17 0.00 -1.47 -2.74 103.07 104.27 2jxj h GLY 143 Ca 0.22 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2jxj h GLY 143 CO -0.05 0.58 0.39 1.76 0.00 0.00 0.00 176.54 179.21 2jxj h SER 144 N 0.86 0.69 -0.00 0.19 0.02 -1.30 -1.35 113.55 112.66 2jxj h SER 144 Ca 0.19 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 2jxj h SER 144 Cb 0.32 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2jxj h SER 144 CO -0.00 0.51 -0.12 0.03 -1.14 0.00 0.00 176.83 176.10 2jxj h ARG 145 N 0.81 0.27 0.00 3.45 3.08 -1.11 -3.31 114.38 117.57 2jxj h ARG 145 Ca 0.22 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2jxj h ARG 145 Cb -0.08 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.93 2jxj h ARG 145 CO -0.05 0.41 0.00 -0.11 -1.07 0.00 0.00 179.97 179.15 2jxj n LEU 146 N -4.27 0.15 0.00 3.04 0.00 -0.57 -4.99 117.00 110.36 2jxj n LEU 146 Ca -0.00 0.58 0.00 0.00 0.00 0.00 0.00 56.01 56.58 2jxj n LEU 146 Cb 0.27 -0.47 0.00 0.00 0.00 0.00 0.00 43.42 43.23 2jxj n LEU 146 CO 0.38 -0.47 0.00 0.61 0.00 0.00 0.00 177.39 177.91 2jxj n GLY 147 N 1.36 0.00 3.52 -3.96 0.00 -0.83 -5.13 105.19 100.15 2jxj n GLY 147 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 3.13 0.37 1.61 2.02 -1.11 -5.05 117.35 118.31 2jxj s TYR 148 Ca 0.00 -0.23 -0.27 0.00 -0.37 0.00 0.00 57.07 56.20 2jxj s TYR 148 Cb 0.00 -2.13 -0.09 0.00 -0.40 0.00 0.00 41.96 39.34 2jxj s TYR 148 CO 0.00 -0.13 1.21 -0.51 -1.57 0.00 0.00 175.55 174.55 2jxj s LEU 149 N 0.97 4.30 1.11 -1.29 1.02 -1.26 -4.52 118.68 119.01 2jxj s LEU 149 Ca 0.03 2.46 -0.17 0.00 0.02 0.00 0.00 54.13 56.47 2jxj s LEU 149 Cb -0.14 -3.87 0.12 0.00 0.02 0.00 0.00 46.19 42.32 2jxj s LEU 149 CO 0.03 -0.60 0.17 -2.65 0.02 0.00 0.00 176.35 173.33 2jxj n PRO 150 N 0.40 -1.55 -3.74 1.29 -0.02 -1.26 -4.98 135.00 125.14 2jxj n PRO 150 Ca 0.02 -0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.07 2jxj n PRO 150 Cb 0.45 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 2jxj n PRO 150 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jxj n GLY 151 N 1.84 -0.64 3.67 -1.23 0.00 -1.26 -5.11 105.19 102.45 2jxj n GLY 151 Ca 0.02 -1.20 -0.36 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.00 4.07 -0.16 1.61 1.02 -1.26 -4.77 119.74 118.26 2jxj s LYS 152 Ca 0.00 -0.27 -0.02 0.00 0.02 0.00 0.00 55.97 55.70 2jxj s LYS 152 Cb 0.00 -3.45 0.01 0.00 -0.52 0.00 0.00 37.83 33.87 2jxj s LYS 152 CO 0.00 0.15 0.03 0.41 -0.92 0.00 0.00 175.35 175.03 2jxj n GLY 153 N 3.97 -3.84 2.01 -3.33 0.00 -1.26 -5.05 105.19 97.69 2jxj n GLY 153 Ca -0.16 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.54 0.00 -0.04 2.61 -1.04 -1.26 -4.76 114.28 110.32 2jxj n THR 154 Ca -0.06 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.01 2jxj n THR 154 Cb 0.09 -0.48 0.43 0.00 -1.82 0.00 0.00 70.33 68.55 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 0.63 1.89 3.41 0.00 -1.93 -1.35 103.07 105.73 2jxj h GLY 155 Ca 0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 2jxj h GLY 155 CO 0.00 0.20 -0.67 1.76 0.00 0.00 0.00 176.54 177.83 2jxj h SER 156 N 0.56 0.12 -0.43 0.19 0.02 -1.94 -2.83 113.55 109.24 2jxj h SER 156 Ca 0.20 -0.08 -0.15 0.00 -0.84 0.00 0.00 61.79 60.92 2jxj h SER 156 Cb 0.09 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2jxj h SER 156 CO -0.05 0.75 -0.31 -0.07 -1.14 0.00 0.00 176.83 176.01 2jxj h LEU 157 N 0.07 1.02 -0.86 5.07 -0.00 -1.57 -2.50 115.31 116.55 2jxj h LEU 157 Ca -0.01 -0.43 -0.10 0.00 -0.00 0.00 0.00 57.88 57.34 2jxj h LEU 157 Cb 1.19 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.55 2jxj h LEU 157 CO 0.09 1.23 -0.25 -0.07 -0.00 0.00 0.00 178.44 179.45 2jxj h LEU 158 N 0.81 0.58 -0.43 1.67 3.38 -1.37 -1.83 115.31 118.11 2jxj h LEU 158 Ca 0.08 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 2jxj h LEU 158 Cb 0.90 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2jxj h LEU 158 CO 0.08 0.81 0.00 0.50 0.09 0.00 0.00 178.44 179.93 2jxj h LYS 159 N 0.50 0.77 -0.33 1.13 3.11 -1.39 0.30 116.57 120.67 2jxj h LYS 159 Ca 0.07 -0.24 -0.06 0.00 -2.81 0.00 0.00 60.65 57.60 2jxj h LYS 159 Cb 0.69 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.84 2jxj h LYS 159 CO 0.05 0.84 -0.04 0.77 -2.81 0.00 0.00 179.45 178.25 2jxj h SER 160 N 0.61 0.61 -0.23 4.20 0.02 -1.33 -1.39 113.55 116.04 2jxj h SER 160 Ca 0.12 -0.34 -0.09 0.00 -0.84 0.00 0.00 61.79 60.64 2jxj h SER 160 Cb 0.49 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 2jxj h SER 160 CO 0.02 0.80 -0.20 0.45 -1.14 0.00 0.00 176.83 176.77 2jxj h HIS 161 N 0.40 0.65 -0.19 3.45 3.86 -1.28 -3.23 115.15 118.80 2jxj h HIS 161 Ca 0.09 -0.19 0.01 0.00 -1.16 0.00 0.00 60.37 59.12 2jxj h HIS 161 Cb 0.52 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 2jxj h HIS 161 CO 0.04 0.87 0.09 -0.92 0.86 0.00 0.00 177.93 178.87 2jxj h TYR 162 N 0.25 0.16 -1.34 2.45 3.20 -0.38 -3.09 116.97 118.21 2jxj h TYR 162 Ca 0.04 0.01 -0.75 0.00 3.14 0.00 0.00 58.73 61.17 2jxj h TYR 162 Cb 0.74 -0.04 -0.15 0.00 1.54 0.00 0.00 36.73 38.82 2jxj h TYR 162 CO 0.07 0.09 2.19 -1.91 -1.64 0.00 0.00 178.16 176.96 2jxj n GLU 163 N -5.02 4.46 0.02 1.82 2.13 -0.53 0.00 120.64 123.54 2jxj n GLU 163 Ca -0.03 -3.60 0.00 0.00 0.66 0.00 0.00 57.16 54.19 2jxj n GLU 163 Cb 0.06 -2.67 0.00 0.00 0.27 0.00 0.00 31.44 29.09 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 2.01 0.00 0.00 5.31 5.12 -1.17 -4.86 116.66 123.07 2jxj n ARG 164 Ca 0.56 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.48 2jxj n ARG 164 Cb 0.27 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.57 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 -2.61 0.00 0.02 0.55 -0.00 -1.24 -4.69 119.36 111.39 2jxj n ILE 165 Ca 0.00 -0.32 -0.02 0.00 -0.00 0.00 0.00 62.75 62.41 2jxj n ILE 165 Cb 0.00 1.32 -0.01 0.00 -0.00 0.00 0.00 39.64 40.95 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 -0.08 1.15 -0.01 1.39 -0.00 -1.15 -4.54 117.00 113.77 2jxj n LEU 166 Ca 0.00 0.16 -0.11 0.00 -0.00 0.00 0.00 56.01 56.06 2jxj n LEU 166 Cb 0.08 -0.37 -0.05 0.00 -0.00 0.00 0.00 43.42 43.08 2jxj n LEU 166 CO 0.00 -0.60 0.92 0.22 -0.00 0.00 0.00 177.39 177.93 2jxj h TYR 167 N -0.16 0.14 0.00 1.96 3.20 -0.75 -2.38 116.97 118.98 2jxj h TYR 167 Ca -0.01 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2jxj h TYR 167 Cb 0.26 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 2jxj h TYR 167 CO -0.06 0.09 -0.00 -1.35 -1.64 0.00 0.00 178.16 175.19 2jxj h PRO 168 N 0.15 0.00 0.10 1.82 0.11 -1.83 -2.80 132.00 129.55 2jxj h PRO 168 Ca 0.05 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.17 2jxj h PRO 168 Cb -0.01 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.07 2jxj h PRO 168 CO -0.02 0.00 -0.20 -0.92 -0.21 0.00 0.00 178.00 176.66 2jxj h TYR 169 N 0.00 -0.51 -0.15 0.65 5.03 -1.66 0.53 116.97 120.86 2jxj h TYR 169 Ca -0.00 0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.35 2jxj h TYR 169 Cb 0.01 0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.47 2jxj h TYR 169 CO 0.00 -0.28 -0.04 1.49 -1.32 0.00 0.00 178.16 178.00 2jxj h GLU 170 N -0.37 -0.01 -0.51 1.82 4.57 -1.56 -1.66 114.58 116.87 2jxj h GLU 170 Ca 0.03 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.26 2jxj h GLU 170 Cb 0.39 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 2jxj h GLU 170 CO -0.11 -0.01 0.34 -0.07 -1.18 0.00 0.00 179.01 177.98 2jxj h LEU 171 N -0.01 0.42 -1.29 1.64 3.38 -1.51 -0.92 115.31 117.01 2jxj h LEU 171 Ca 0.07 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 2jxj h LEU 171 Cb 0.12 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2jxj h LEU 171 CO -0.16 0.28 -0.12 0.15 0.09 0.00 0.00 178.44 178.69 2jxj h PHE 172 N 0.48 0.36 -0.32 1.13 3.04 0.05 0.77 116.94 122.46 2jxj h PHE 172 Ca 0.21 -0.04 -0.07 0.00 3.98 0.00 0.00 57.97 62.05 2jxj h PHE 172 Cb 0.24 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 2jxj h PHE 172 CO -0.00 0.45 -0.07 1.96 -2.02 0.00 0.00 178.31 178.63 2jxj h GLN 173 N 0.32 0.61 0.00 1.11 1.08 -0.76 -3.43 115.11 114.04 2jxj h GLN 173 Ca 0.06 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 57.03 2jxj h GLN 173 Cb 0.40 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 2jxj h GLN 173 CO 0.02 0.79 0.00 0.43 -0.95 0.00 0.00 178.83 179.12 2jxj n SER 174 N -4.46 0.00 0.00 1.46 7.64 -1.09 -5.14 113.62 112.03 2jxj n SER 174 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2jxj n SER 174 Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 2jxj n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64