#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 3.05 0.01 1.61 0.04 -1.26 -4.90 135.00 133.55 2jxj s PRO 81 Ca 0.00 0.85 -0.19 0.00 0.04 0.00 0.00 61.00 61.69 2jxj s PRO 81 Cb 0.00 -4.25 -0.11 0.00 0.04 0.00 0.00 34.50 30.18 2jxj s PRO 81 CO 0.00 -2.22 1.01 -0.07 0.04 0.00 0.00 177.00 175.76 2jxj h LEU 82 N 14.61 -0.59 0.00 -3.56 4.07 -2.09 -3.49 115.31 124.25 2jxj h LEU 82 Ca -0.29 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.70 2jxj h LEU 82 Cb 1.15 0.15 0.00 0.00 1.08 0.00 0.00 40.66 43.04 2jxj h LEU 82 CO 1.14 -0.32 0.00 0.61 -1.08 0.00 0.00 178.44 178.79 2jxj n GLY 83 N -0.54 1.99 2.95 0.83 0.00 -1.26 -4.43 105.19 104.73 2jxj n GLY 83 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 2jxj n GLY 83 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jxj n SER 84 N 0.00 -6.11 -0.01 1.61 7.64 -1.26 -4.90 113.62 110.59 2jxj n SER 84 Ca 0.00 -0.26 -0.17 0.00 1.01 0.00 0.00 58.87 59.44 2jxj n SER 84 Cb 0.00 -4.93 -0.07 0.00 -1.01 0.00 0.00 64.21 58.20 2jxj n SER 84 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2jxj h ARG 85 N -1.28 0.78 -0.50 1.43 3.08 -1.99 -2.76 114.38 113.14 2jxj h ARG 85 Ca -0.53 -0.66 -0.10 0.00 0.07 0.00 0.00 59.98 58.77 2jxj h ARG 85 Cb 1.36 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.54 2jxj h ARG 85 CO 0.57 1.26 -0.08 -0.39 -1.07 0.00 0.00 179.97 180.25 2jxj h VAL 86 N 0.52 1.26 -0.58 2.04 -1.51 -1.94 -1.69 116.25 114.36 2jxj h VAL 86 Ca -0.06 -1.19 -0.09 0.00 -1.23 0.00 0.00 66.70 64.14 2jxj h VAL 86 Cb 1.44 0.97 -0.02 0.00 -2.13 0.00 0.00 31.29 31.55 2jxj h VAL 86 CO 0.17 0.41 0.02 0.03 -1.23 0.00 0.00 177.57 176.97 2jxj h ARG 87 N 0.81 1.01 -0.21 5.19 3.08 -1.96 -1.89 114.38 120.41 2jxj h ARG 87 Ca 0.14 -0.31 -0.04 0.00 0.07 0.00 0.00 59.98 59.83 2jxj h ARG 87 Cb 0.60 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2jxj h ARG 87 CO 0.04 0.99 -0.03 1.25 -1.07 0.00 0.00 179.97 181.14 2jxj h LEU 88 N 0.90 0.40 -0.71 3.04 7.12 -1.35 -2.32 115.31 122.39 2jxj h LEU 88 Ca 0.17 -0.35 0.03 0.00 0.13 0.00 0.00 57.88 57.86 2jxj h LEU 88 Cb 0.52 -0.11 -0.04 0.00 -0.53 0.00 0.00 40.66 40.50 2jxj h LEU 88 CO 0.03 0.65 0.45 0.44 -0.13 0.00 0.00 178.44 179.88 2jxj h ASP 89 N 0.14 0.75 -0.17 1.25 3.32 -1.25 -1.64 116.42 118.81 2jxj h ASP 89 Ca 0.06 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2jxj h ASP 89 Cb 0.47 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 2jxj h ASP 89 CO 0.02 0.52 0.09 0.15 -1.72 0.00 0.00 179.24 178.30 2jxj h PHE 90 N 0.89 0.23 -0.30 4.55 3.57 -1.28 -2.48 116.94 122.12 2jxj h PHE 90 Ca 0.28 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.78 2jxj h PHE 90 Cb -0.00 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 2jxj h PHE 90 CO -0.04 0.22 0.20 -0.07 -2.23 0.00 0.00 178.31 176.40 2jxj h LEU 91 N 0.17 0.34 -0.32 0.59 3.38 -1.11 -2.22 115.31 116.15 2jxj h LEU 91 Ca 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2jxj h LEU 91 Cb 0.07 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2jxj h LEU 91 CO -0.01 0.25 0.16 0.44 0.09 0.00 0.00 178.44 179.37 2jxj h ASP 92 N 0.40 0.41 -0.15 -0.43 3.32 -0.85 0.71 116.42 119.83 2jxj h ASP 92 Ca 0.11 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2jxj h ASP 92 Cb -0.04 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2jxj h ASP 92 CO -0.02 0.40 0.04 1.56 -1.72 0.00 0.00 179.24 179.50 2jxj h GLN 93 N 0.38 0.24 -0.50 3.56 1.08 -1.16 0.29 115.11 119.00 2jxj h GLN 93 Ca 0.11 -0.05 -0.13 0.00 -1.45 0.00 0.00 58.65 57.13 2jxj h GLN 93 Cb 0.10 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 2jxj h GLN 93 CO -0.02 0.38 -0.19 1.25 -0.95 0.00 0.00 178.83 179.30 2jxj h LEU 94 N 0.06 1.02 -0.60 1.46 6.46 -1.32 0.51 115.31 122.90 2jxj h LEU 94 Ca 0.05 -0.39 -0.14 0.00 -0.12 0.00 0.00 57.88 57.28 2jxj h LEU 94 Cb 0.24 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.88 2jxj h LEU 94 CO -0.00 1.18 -0.43 0.00 -0.62 0.00 0.00 178.44 178.57 2jxj h ALA 95 N 0.88 0.78 -0.05 1.25 0.00 0.51 -2.45 119.26 120.18 2jxj h ALA 95 Ca 0.12 -0.45 -0.24 0.00 0.00 0.00 0.00 54.91 54.33 2jxj h ALA 95 Cb 0.77 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.46 2jxj h ALA 95 CO 0.06 0.66 -0.94 0.87 0.00 0.00 0.00 179.25 179.90 2jxj h LYS 96 N 0.51 0.67 -0.08 0.00 1.79 -0.32 -2.44 116.57 116.71 2jxj h LYS 96 Ca 0.04 -0.66 -0.00 0.00 -2.18 0.00 0.00 60.65 57.85 2jxj h LYS 96 Cb 0.95 0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2jxj h LYS 96 CO 0.09 1.26 0.04 0.35 -1.08 0.00 0.00 179.45 180.10 2jxj h PHE 97 N 0.41 0.11 -0.34 -1.35 3.04 -0.87 -2.70 116.94 115.24 2jxj h PHE 97 Ca -0.10 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.77 2jxj h PHE 97 Cb 1.58 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 40.04 2jxj h PHE 97 CO 0.09 0.17 -0.12 -1.49 -2.02 0.00 0.00 178.31 174.94 2jxj h TRP 98 N 0.01 0.65 -0.61 0.41 4.06 -1.52 -2.96 115.95 115.98 2jxj h TRP 98 Ca 0.03 -0.11 0.07 0.00 2.06 0.00 0.00 58.89 60.94 2jxj h TRP 98 Cb 0.10 -0.17 -0.06 0.00 -1.00 0.00 0.00 29.16 28.04 2jxj h TRP 98 CO -0.04 0.69 0.30 0.93 -3.56 0.00 0.00 178.44 176.76 2jxj h GLU 99 N 0.55 0.53 -0.06 0.49 5.08 -1.19 -0.06 114.58 119.92 2jxj h GLU 99 Ca 0.10 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2jxj h GLU 99 Cb 0.53 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2jxj h GLU 99 CO 0.03 0.35 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.32 2jxj h LEU 100 N 0.55 0.07 -0.19 1.33 3.38 -1.31 -2.19 115.31 116.95 2jxj h LEU 100 Ca 0.28 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.08 2jxj h LEU 100 Cb 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2jxj h LEU 100 CO -0.22 0.10 -0.56 1.56 0.09 0.00 0.00 178.44 179.41 2jxj h GLN 101 N 0.08 0.71 0.00 1.13 1.08 -1.04 -3.47 115.11 113.60 2jxj h GLN 101 Ca 0.02 -0.52 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 2jxj h GLN 101 Cb 0.07 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2jxj h GLN 101 CO 0.00 1.14 0.00 0.41 -0.95 0.00 0.00 178.83 179.43 2jxj n GLY 102 N 0.55 0.57 0.00 3.46 0.00 -0.53 -5.13 105.19 104.10 2jxj n GLY 102 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 -3.66 1.61 7.64 -0.94 -4.96 113.62 113.30 2jxj n SER 103 Ca 0.00 -0.33 -0.09 0.00 1.01 0.00 0.00 58.87 59.46 2jxj n SER 103 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 2jxj n SER 103 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2jxj s THR 104 N 1.55 -0.01 0.07 0.44 2.01 -1.26 -3.43 115.64 115.01 2jxj s THR 104 Ca 0.00 0.04 -0.31 0.00 0.31 0.00 0.00 61.69 61.73 2jxj s THR 104 Cb 0.00 -0.83 -0.09 0.00 0.01 0.00 0.00 72.50 71.59 2jxj s THR 104 CO 0.00 0.02 1.75 -0.22 -0.69 0.00 0.00 174.62 175.48 2jxj s LEU 105 N 1.49 4.38 -0.07 4.42 0.20 -1.26 -4.99 118.68 122.85 2jxj s LEU 105 Ca -0.09 2.58 0.04 0.00 0.69 0.00 0.00 54.13 57.34 2jxj s LEU 105 Cb -0.06 -3.56 0.00 0.00 -0.43 0.00 0.00 46.19 42.14 2jxj s LEU 105 CO -0.16 -0.95 -0.19 -0.54 -0.29 0.00 0.00 176.35 174.22 2jxj s LYS 106 N 3.05 2.22 -0.74 1.98 1.02 -1.26 -4.98 119.74 121.03 2jxj s LYS 106 Ca 0.78 -0.66 -0.13 0.00 0.02 0.00 0.00 55.97 55.98 2jxj s LYS 106 Cb -0.42 -1.80 0.19 0.00 -0.52 0.00 0.00 37.83 35.29 2jxj s LYS 106 CO 0.35 0.17 0.67 0.42 -0.92 0.00 0.00 175.35 176.03 2jxj s ILE 107 N 0.30 5.26 1.06 2.17 1.09 -1.26 -5.07 121.20 124.75 2jxj s ILE 107 Ca -0.12 -2.33 -0.13 0.00 -1.10 0.00 0.00 60.65 56.97 2jxj s ILE 107 Cb -0.15 -4.29 0.22 0.00 -1.06 0.00 0.00 42.46 37.18 2jxj s ILE 107 CO 0.05 -0.97 1.07 -2.16 -0.10 0.00 0.00 174.94 172.83 2jxj s PRO 108 N 0.43 -0.04 -0.21 2.79 0.04 -1.26 -5.00 135.00 131.74 2jxj s PRO 108 Ca 0.15 0.60 -0.04 0.00 0.04 0.00 0.00 61.00 61.74 2jxj s PRO 108 Cb -0.15 -1.68 -0.01 0.00 0.04 0.00 0.00 34.50 32.70 2jxj s PRO 108 CO -0.06 -3.07 -0.03 0.08 0.04 0.00 0.00 177.00 173.96 2jxj s VAL 109 N -2.81 3.54 -0.24 -0.36 1.01 -1.26 -4.32 120.40 115.96 2jxj s VAL 109 Ca 0.66 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 2jxj s VAL 109 Cb -0.21 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2jxj s VAL 109 CO 0.60 0.42 0.05 -0.69 0.00 0.00 0.00 175.10 175.48 2jxj s VAL 110 N 1.33 4.20 -1.42 2.92 1.01 -0.13 -4.48 120.40 123.82 2jxj s VAL 110 Ca 0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.75 2jxj s VAL 110 Cb -0.14 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.29 2jxj s VAL 110 CO -0.01 0.36 0.79 -0.62 0.00 0.00 0.00 175.10 175.62 2jxj n GLU 111 N 4.78 -5.81 -2.42 2.72 1.02 -1.26 -1.57 120.64 118.10 2jxj n GLU 111 Ca -0.16 0.85 -0.19 0.00 -0.02 0.00 0.00 57.16 57.63 2jxj n GLU 111 Cb 0.51 -5.69 -0.00 0.00 -0.02 0.00 0.00 31.44 26.24 2jxj n GLU 111 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2jxj n ARG 112 N -4.24 -1.81 -3.87 3.49 3.00 -1.26 -4.98 116.66 106.99 2jxj n ARG 112 Ca -0.07 0.91 -0.11 0.00 -0.01 0.00 0.00 57.85 58.57 2jxj n ARG 112 Cb 0.59 -5.48 -0.09 0.00 0.00 0.00 0.00 32.46 27.48 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 -5.01 0.54 -0.05 5.56 2.20 -0.61 -5.13 119.74 117.24 2jxj s LYS 113 Ca 0.03 -0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 54.88 2jxj s LYS 113 Cb -0.01 0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.50 2jxj s LYS 113 CO 0.03 -0.14 1.23 0.42 -0.36 0.00 0.00 175.35 176.53 2jxj s ILE 114 N -1.67 4.19 -0.12 5.43 1.01 -1.26 -0.95 121.20 127.82 2jxj s ILE 114 Ca -0.12 1.52 -0.26 0.00 0.00 0.00 0.00 60.65 61.78 2jxj s ILE 114 Cb -0.06 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 2jxj s ILE 114 CO 0.00 -0.00 0.86 -0.22 0.00 0.00 0.00 174.94 175.59 2jxj s LEU 115 N 2.24 4.24 0.82 2.97 0.20 -1.26 -4.94 118.68 122.94 2jxj s LEU 115 Ca 0.57 1.31 -0.13 0.00 0.69 0.00 0.00 54.13 56.57 2jxj s LEU 115 Cb -0.25 -3.32 0.09 0.00 -0.43 0.00 0.00 46.19 42.28 2jxj s LEU 115 CO 0.22 -0.35 1.18 -0.67 -0.29 0.00 0.00 176.35 176.45 2jxj n ASP 116 N 4.78 0.90 0.01 3.68 -0.08 -1.26 -5.00 116.55 119.59 2jxj n ASP 116 Ca 0.05 0.57 -0.00 0.00 -1.51 0.00 0.00 54.79 53.89 2jxj n ASP 116 Cb 0.49 -1.50 -0.00 0.00 2.34 0.00 0.00 41.12 42.46 2jxj n ASP 116 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2jxj n LEU 117 N -3.27 0.46 0.00 -2.67 4.32 -1.26 -4.45 117.00 110.14 2jxj n LEU 117 Ca 0.13 0.06 -0.10 0.00 -0.02 0.00 0.00 56.01 56.09 2jxj n LEU 117 Cb 0.51 -0.17 -0.04 0.00 -1.62 0.00 0.00 43.42 42.10 2jxj n LEU 117 CO 0.48 -0.59 0.79 0.22 -1.22 0.00 0.00 177.39 177.08 2jxj h TYR 118 N -0.03 -0.26 -0.78 -1.77 5.03 -1.94 -1.32 116.97 115.89 2jxj h TYR 118 Ca 0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.33 2jxj h TYR 118 Cb 0.03 0.13 -0.04 0.00 1.55 0.00 0.00 36.73 38.41 2jxj h TYR 118 CO -0.01 -0.16 0.49 0.00 -1.32 0.00 0.00 178.16 177.15 2jxj h ALA 119 N 0.94 1.39 -0.60 1.82 0.00 -2.00 -2.12 119.26 118.69 2jxj h ALA 119 Ca 0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2jxj h ALA 119 Cb 0.24 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2jxj h ALA 119 CO -0.19 0.54 0.25 1.25 0.00 0.00 0.00 179.25 181.10 2jxj h LEU 120 N 1.07 0.80 -0.67 0.00 5.85 -1.59 -1.94 115.31 118.82 2jxj h LEU 120 Ca 0.28 -0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.80 2jxj h LEU 120 Cb -0.08 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 2jxj h LEU 120 CO -0.06 0.71 -0.09 -1.28 -0.34 0.00 0.00 178.44 177.39 2jxj h SER 121 N 0.86 0.93 -0.44 1.25 0.87 -0.60 -2.80 113.55 113.63 2jxj h SER 121 Ca 0.21 -0.29 -0.10 0.00 -1.23 0.00 0.00 61.79 60.37 2jxj h SER 121 Cb 0.16 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2jxj h SER 121 CO -0.02 1.04 -0.13 0.11 -0.53 0.00 0.00 176.83 177.30 2jxj h LYS 122 N 0.84 0.87 -0.68 2.24 1.57 -1.13 -3.00 116.57 117.28 2jxj h LYS 122 Ca 0.14 -0.34 0.03 0.00 -1.87 0.00 0.00 60.65 58.60 2jxj h LYS 122 Cb 0.62 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.85 2jxj h LYS 122 CO 0.04 0.98 0.43 0.82 -0.57 0.00 0.00 179.45 181.15 2jxj h ILE 123 N 0.70 1.10 -0.05 1.86 2.04 -1.27 -1.88 117.51 120.01 2jxj h ILE 123 Ca 0.11 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.69 2jxj h ILE 123 Cb 0.68 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 2jxj h ILE 123 CO 0.05 0.15 -0.02 0.58 0.00 0.00 0.00 178.15 178.92 2jxj h VAL 124 N 0.84 0.94 -0.41 1.67 2.07 -1.44 -2.77 116.25 117.15 2jxj h VAL 124 Ca 0.27 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.83 2jxj h VAL 124 Cb 0.00 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 2jxj h VAL 124 CO -0.10 0.00 0.18 0.00 0.02 0.00 0.00 177.57 177.67 2jxj h ALA 125 N 1.05 0.50 -0.03 1.67 0.00 -1.36 -0.68 119.26 120.40 2jxj h ALA 125 Ca 0.03 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2jxj h ALA 125 Cb 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 2jxj h ALA 125 CO -0.06 -0.20 0.17 0.66 0.00 0.00 0.00 179.25 179.82 2jxj h SER 126 N 0.36 0.00 0.14 0.00 4.64 -1.11 -1.48 113.55 116.11 2jxj h SER 126 Ca 0.18 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.15 2jxj h SER 126 Cb 0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 2jxj h SER 126 CO -0.16 0.00 -1.86 0.11 -0.87 0.00 0.00 176.83 174.05 2jxj h LYS 127 N 0.00 0.30 0.00 4.77 1.79 -0.89 -3.48 116.57 119.06 2jxj h LYS 127 Ca 0.02 -0.51 0.00 0.00 -2.18 0.00 0.00 60.65 57.98 2jxj h LYS 127 Cb 0.35 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2jxj h LYS 127 CO -0.00 1.24 0.00 0.41 -1.08 0.00 0.00 179.45 180.02 2jxj n GLY 128 N 1.92 0.00 4.28 3.86 0.00 -0.57 -4.74 105.19 109.94 2jxj n GLY 128 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 1.97 0.04 -0.02 0.00 -1.11 -3.56 105.19 102.51 2jxj n GLY 129 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.96 0.05 1.61 7.35 -1.26 -3.96 117.46 119.30 2jxj n PHE 130 Ca 0.00 0.03 0.14 0.00 -0.76 0.00 0.00 57.45 56.85 2jxj n PHE 130 Cb 0.00 0.44 0.61 0.00 0.35 0.00 0.00 39.48 40.88 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 0.13 -0.42 -4.13 4.39 -1.96 -0.60 114.58 112.00 2jxj h GLU 131 Ca 0.00 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 2jxj h GLU 131 Cb 0.00 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 2jxj h GLU 131 CO 0.00 0.09 -0.10 1.98 -1.16 0.00 0.00 179.01 179.81 2jxj h MET 132 N 0.14 0.74 -0.46 2.33 4.05 -1.91 -0.79 114.93 119.02 2jxj h MET 132 Ca 0.18 -0.24 -0.09 0.00 -0.28 0.00 0.00 59.70 59.27 2jxj h MET 132 Cb 0.54 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.26 2jxj h MET 132 CO -0.02 0.82 -0.07 0.28 0.23 0.00 0.00 176.91 178.15 2jxj h VAL 133 N 0.67 1.27 -0.22 -5.77 2.07 -1.38 -1.56 116.25 111.34 2jxj h VAL 133 Ca 0.12 -1.17 -0.09 0.00 0.82 0.00 0.00 66.70 66.38 2jxj h VAL 133 Cb 0.57 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2jxj h VAL 133 CO 0.04 0.40 -0.21 0.74 0.02 0.00 0.00 177.57 178.56 2jxj h THR 134 N 0.71 1.32 -0.71 2.57 2.02 -1.33 0.90 112.91 118.40 2jxj h THR 134 Ca 0.12 -1.37 -0.02 0.00 0.77 0.00 0.00 66.41 65.91 2jxj h THR 134 Cb 0.60 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 2jxj h THR 134 CO 0.04 0.42 0.37 0.11 0.37 0.00 0.00 175.52 176.83 2jxj h LYS 135 N 0.22 0.99 0.00 6.66 1.79 -1.12 -2.38 116.57 122.72 2jxj h LYS 135 Ca 0.04 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2jxj h LYS 135 Cb 0.76 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2jxj h LYS 135 CO 0.05 0.74 -0.82 0.39 -1.08 0.00 0.00 179.45 178.73 2jxj n GLU 136 N -4.35 0.18 -2.92 3.15 -0.58 -0.59 -4.97 120.64 110.56 2jxj n GLU 136 Ca 0.07 0.01 -0.16 0.00 -0.42 0.00 0.00 57.16 56.65 2jxj n GLU 136 Cb 0.11 -1.57 0.03 0.00 -0.57 0.00 0.00 31.44 29.45 2jxj n GLU 136 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2jxj n LYS 137 N -1.81 -4.06 0.00 3.49 4.81 0.28 -4.89 118.16 115.99 2jxj n LYS 137 Ca 0.03 0.65 0.15 0.00 -0.87 0.00 0.00 58.31 58.27 2jxj n LYS 137 Cb 0.40 -4.98 0.83 0.00 0.02 0.00 0.00 35.03 31.30 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 -3.26 0.99 -0.09 1.64 4.76 0.49 -3.78 118.16 118.91 2jxj n LYS 138 Ca -0.06 -0.16 0.06 0.00 -2.87 0.00 0.00 58.31 55.28 2jxj n LYS 138 Cb 0.58 -1.50 0.41 0.00 -1.84 0.00 0.00 35.03 32.68 2jxj n LYS 138 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 2jxj h TRP 139 N 0.39 0.60 -0.55 2.13 4.06 -1.91 -1.16 115.95 119.52 2jxj h TRP 139 Ca 0.00 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.96 2jxj h TRP 139 Cb 0.14 -0.20 -0.03 0.00 -1.00 0.00 0.00 29.16 28.07 2jxj h TRP 139 CO 0.00 0.34 0.33 0.77 -3.56 0.00 0.00 178.44 176.32 2jxj h SER 140 N 0.62 0.65 0.27 -3.49 0.02 -1.94 -1.90 113.55 107.78 2jxj h SER 140 Ca 0.23 -0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.99 2jxj h SER 140 Cb 0.15 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2jxj h SER 140 CO -0.06 0.50 -0.62 0.11 -1.14 0.00 0.00 176.83 175.62 2jxj h LYS 141 N 0.75 0.34 -0.30 3.45 1.79 -1.49 -3.01 116.57 118.10 2jxj h LYS 141 Ca 0.20 -0.23 0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2jxj h LYS 141 Cb -0.03 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 2jxj h LYS 141 CO -0.04 0.85 0.19 0.28 -1.08 0.00 0.00 179.45 179.65 2jxj h VAL 142 N 0.25 1.05 -0.68 0.50 2.07 -1.03 -2.24 116.25 116.17 2jxj h VAL 142 Ca -0.01 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 2jxj h VAL 142 Cb 1.14 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2jxj h VAL 142 CO 0.10 0.07 0.19 1.23 0.02 0.00 0.00 177.57 179.18 2jxj h GLY 143 N 0.38 1.15 0.95 2.17 0.00 -1.50 -2.79 103.07 103.43 2jxj h GLY 143 Ca 0.11 -0.68 0.02 0.00 0.00 0.00 0.00 47.33 46.78 2jxj h GLY 143 CO -0.04 0.64 0.63 1.76 0.00 0.00 0.00 176.54 179.53 2jxj h SER 144 N 1.02 1.08 0.02 0.19 0.02 -1.34 0.21 113.55 114.76 2jxj h SER 144 Ca 0.22 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 2jxj h SER 144 Cb 0.32 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2jxj h SER 144 CO -0.00 0.76 -0.08 0.03 -1.14 0.00 0.00 176.83 176.40 2jxj h ARG 145 N 1.26 0.14 0.01 3.45 3.08 -1.14 -3.15 114.38 118.03 2jxj h ARG 145 Ca 0.37 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.39 2jxj h ARG 145 Cb -0.08 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 29.94 2jxj h ARG 145 CO -0.10 0.23 -0.01 -0.07 -1.07 0.00 0.00 179.97 178.96 2jxj h LEU 146 N 0.14 -0.02 0.00 3.04 3.38 -1.14 -3.48 115.31 117.23 2jxj h LEU 146 Ca 0.03 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2jxj h LEU 146 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2jxj h LEU 146 CO 0.01 0.69 0.00 0.61 0.09 0.00 0.00 178.44 179.84 2jxj n GLY 147 N 1.63 -0.12 3.57 0.83 0.00 -0.04 -5.13 105.19 105.93 2jxj n GLY 147 Ca -0.05 0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 2.79 -0.09 1.61 1.51 -0.82 -4.98 117.35 117.37 2jxj s TYR 148 Ca 0.00 -0.11 -0.01 0.00 -1.01 0.00 0.00 57.07 55.94 2jxj s TYR 148 Cb 0.00 -1.53 -0.03 0.00 -0.11 0.00 0.00 41.96 40.29 2jxj s TYR 148 CO 0.00 0.36 -0.04 -0.51 -1.11 0.00 0.00 175.55 174.25 2jxj s LEU 149 N -1.65 3.31 -0.20 -1.29 1.43 -1.26 -4.50 118.68 114.52 2jxj s LEU 149 Ca 0.18 0.01 -0.34 0.00 -1.03 0.00 0.00 54.13 52.94 2jxj s LEU 149 Cb -0.11 -1.75 -0.11 0.00 0.03 0.00 0.00 46.19 44.25 2jxj s LEU 149 CO 0.09 0.33 2.01 -2.65 0.23 0.00 0.00 176.35 176.35 2jxj n PRO 150 N 2.48 1.73 0.00 1.29 -0.02 -1.26 -4.87 135.00 134.35 2jxj n PRO 150 Ca -0.18 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2jxj n PRO 150 Cb 0.53 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 5.21 4.19 0.08 -1.23 0.00 -1.26 -5.02 105.19 107.16 2jxj n GLY 151 Ca 0.29 -0.52 -0.05 0.00 0.00 0.00 0.00 46.02 45.74 2jxj n GLY 151 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jxj h LYS 152 N 0.00 0.00 0.00 1.61 1.57 -2.08 -3.49 116.57 114.19 2jxj h LYS 152 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jxj h LYS 152 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jxj h LYS 152 CO 0.00 0.88 0.00 0.41 -0.57 0.00 0.00 179.45 180.17 2jxj n GLY 153 N 1.33 -1.77 2.91 3.86 0.00 -1.26 -4.99 105.19 105.27 2jxj n GLY 153 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 0.01 2.61 -1.04 -1.26 -4.87 114.28 109.73 2jxj n THR 154 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 2jxj n THR 154 Cb 0.00 -0.27 -0.10 0.00 -1.82 0.00 0.00 70.33 68.13 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 0.65 1.45 3.41 0.00 -1.94 -3.06 103.07 103.58 2jxj h GLY 155 Ca 0.00 -1.07 -0.05 0.00 0.00 0.00 0.00 47.33 46.21 2jxj h GLY 155 CO 0.00 0.95 0.07 1.76 0.00 0.00 0.00 176.54 179.32 2jxj h SER 156 N 0.19 0.64 -0.30 0.19 0.02 -1.98 -1.05 113.55 111.26 2jxj h SER 156 Ca -0.09 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.72 2jxj h SER 156 Cb 1.45 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 2jxj h SER 156 CO 0.15 0.67 0.10 -0.07 -1.14 0.00 0.00 176.83 176.54 2jxj h LEU 157 N 0.66 0.44 -0.51 5.07 4.07 -1.97 0.49 115.31 123.56 2jxj h LEU 157 Ca 0.14 -0.20 -0.11 0.00 0.08 0.00 0.00 57.88 57.79 2jxj h LEU 157 Cb 0.31 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 2jxj h LEU 157 CO 0.00 0.52 -0.12 -0.07 -1.08 0.00 0.00 178.44 177.70 2jxj h LEU 158 N 0.33 0.98 -0.22 1.67 3.38 -1.40 0.65 115.31 120.71 2jxj h LEU 158 Ca 0.10 -0.36 -0.11 0.00 0.09 0.00 0.00 57.88 57.60 2jxj h LEU 158 Cb 0.24 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2jxj h LEU 158 CO -0.00 1.11 -0.28 0.50 0.09 0.00 0.00 178.44 179.86 2jxj h LYS 159 N 0.83 0.57 -0.44 1.13 3.11 -1.07 -2.09 116.57 118.62 2jxj h LYS 159 Ca 0.13 -0.33 -0.09 0.00 -2.81 0.00 0.00 60.65 57.56 2jxj h LYS 159 Cb 0.68 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.92 2jxj h LYS 159 CO 0.05 0.93 -0.06 0.77 -2.81 0.00 0.00 179.45 178.32 2jxj h SER 160 N 0.26 0.82 -0.50 4.20 0.02 0.01 -0.93 113.55 117.43 2jxj h SER 160 Ca 0.03 -0.34 -0.05 0.00 -0.84 0.00 0.00 61.79 60.58 2jxj h SER 160 Cb 0.85 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 2jxj h SER 160 CO 0.07 0.97 0.13 0.45 -1.14 0.00 0.00 176.83 177.30 2jxj h HIS 161 N 0.66 0.88 -0.16 3.45 3.86 -0.89 -2.96 115.15 119.99 2jxj h HIS 161 Ca 0.12 -0.09 -0.19 0.00 -1.16 0.00 0.00 60.37 59.05 2jxj h HIS 161 Cb 0.59 -0.26 0.01 0.00 1.06 0.00 0.00 27.41 28.81 2jxj h HIS 161 CO 0.05 0.74 -0.64 -0.92 0.86 0.00 0.00 177.93 178.01 2jxj h TYR 162 N 0.82 0.95 -2.99 2.45 3.20 -1.24 -3.36 116.97 116.80 2jxj h TYR 162 Ca 0.18 -0.40 -0.80 0.00 3.14 0.00 0.00 58.73 60.84 2jxj h TYR 162 Cb 0.31 -0.15 -0.27 0.00 1.54 0.00 0.00 36.73 38.16 2jxj h TYR 162 CO 0.02 1.22 0.78 -1.91 -1.64 0.00 0.00 178.16 176.63 2jxj n GLU 163 N -4.06 4.15 0.00 1.82 2.13 -0.37 -0.53 120.64 123.78 2jxj n GLU 163 Ca -0.07 -4.45 0.00 0.00 0.66 0.00 0.00 57.16 53.29 2jxj n GLU 163 Cb 0.67 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.83 2jxj n GLU 163 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2jxj n ARG 164 N 1.96 0.00 0.00 5.31 0.63 -1.23 -4.81 116.66 118.52 2jxj n ARG 164 Ca 0.26 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 2jxj n ARG 164 Cb 0.35 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.26 2jxj n ARG 164 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2jxj n ILE 165 N -1.15 0.00 -0.05 5.15 -0.00 -1.26 -4.75 119.36 117.31 2jxj n ILE 165 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 62.75 62.72 2jxj n ILE 165 Cb 0.00 -0.45 -0.01 0.00 -0.00 0.00 0.00 39.64 39.19 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 0.00 -0.23 1.39 6.46 -1.78 -3.34 115.31 117.82 2jxj h LEU 166 Ca 0.00 0.00 0.06 0.00 -0.12 0.00 0.00 57.88 57.82 2jxj h LEU 166 Cb 0.67 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.53 2jxj h LEU 166 CO 0.00 0.55 -0.33 0.22 -0.62 0.00 0.00 178.44 178.25 2jxj h TYR 167 N -0.80 -0.93 -0.32 1.25 3.20 -1.14 -0.75 116.97 117.48 2jxj h TYR 167 Ca 0.00 0.05 0.09 0.00 3.14 0.00 0.00 58.73 62.01 2jxj h TYR 167 Cb 0.29 0.44 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 2jxj h TYR 167 CO -0.13 -0.40 0.34 -1.00 -1.64 0.00 0.00 178.16 175.33 2jxj h PRO 168 N -0.35 0.00 0.33 1.82 0.13 -1.80 -2.18 132.00 129.94 2jxj h PRO 168 Ca 0.12 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.23 2jxj h PRO 168 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 2jxj h PRO 168 CO -0.43 0.00 -0.16 -0.92 -0.23 0.00 0.00 178.00 176.27 2jxj h TYR 169 N 0.00 -0.41 -0.06 1.56 3.20 -1.25 0.48 116.97 120.50 2jxj h TYR 169 Ca 0.15 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.02 2jxj h TYR 169 Cb 0.82 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 2jxj h TYR 169 CO 0.00 -0.25 -0.03 0.93 -1.64 0.00 0.00 178.16 177.18 2jxj h GLU 170 N -0.45 -0.02 -0.57 1.82 4.39 -1.41 -2.08 114.58 116.26 2jxj h GLU 170 Ca -0.04 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.72 2jxj h GLU 170 Cb 0.34 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 2jxj h GLU 170 CO 0.07 -0.01 0.38 -0.07 -1.16 0.00 0.00 179.01 178.22 2jxj h LEU 171 N -0.02 0.48 -1.16 1.33 3.38 -1.44 0.15 115.31 118.02 2jxj h LEU 171 Ca 0.03 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2jxj h LEU 171 Cb 0.07 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 2jxj h LEU 171 CO -0.07 0.31 0.57 0.15 0.09 0.00 0.00 178.44 179.49 2jxj h PHE 172 N 0.55 1.05 0.14 1.13 3.04 -0.18 1.00 116.94 123.67 2jxj h PHE 172 Ca 0.25 0.03 -0.29 0.00 3.98 0.00 0.00 57.97 61.94 2jxj h PHE 172 Cb 0.28 -0.35 0.01 0.00 2.56 0.00 0.00 35.95 38.44 2jxj h PHE 172 CO -0.00 0.63 -1.43 1.96 -2.02 0.00 0.00 178.31 177.45 2jxj h GLN 173 N 1.10 0.30 -1.01 1.11 4.20 -1.04 -3.34 115.11 116.44 2jxj h GLN 173 Ca 0.34 -0.52 -0.48 0.00 0.06 0.00 0.00 58.65 58.04 2jxj h GLN 173 Cb -0.02 0.19 -0.28 0.00 0.30 0.00 0.00 27.48 27.68 2jxj h GLN 173 CO -0.09 1.25 0.61 0.43 -0.67 0.00 0.00 178.83 180.36 2jxj n SER 174 N -3.86 4.13 -0.16 1.46 7.64 0.40 -5.13 113.62 118.10 2jxj n SER 174 Ca -0.23 -3.47 0.02 0.00 1.01 0.00 0.00 58.87 56.20 2jxj n SER 174 Cb 0.95 -0.83 0.02 0.00 -1.01 0.00 0.00 64.21 63.33 2jxj n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64