#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f7h s PRO 79 N 0.00 4.16 0.11 1.61 0.04 -1.26 -4.88 135.00 134.78 3f7h s PRO 79 Ca 0.00 2.50 -0.15 0.00 0.04 0.00 0.00 61.00 63.39 3f7h s PRO 79 Cb 0.00 -3.09 -0.05 0.00 0.04 0.00 0.00 34.50 31.41 3f7h s PRO 79 CO 0.00 -0.65 1.51 0.00 0.04 0.00 0.00 177.00 177.90 3f7h h ALA 80 N 6.13 0.48 -2.49 8.56 0.00 -0.81 -3.37 119.26 127.77 3f7h h ALA 80 Ca -0.44 -0.31 -0.59 0.00 0.00 0.00 0.00 54.91 53.57 3f7h h ALA 80 Cb 1.21 -0.12 -0.40 0.00 0.00 0.00 0.00 17.79 18.48 3f7h h ALA 80 CO 0.89 0.34 -0.85 1.19 0.00 0.00 0.00 179.25 180.82 3f7h n PHE 81 N -4.40 0.81 -0.35 0.00 3.01 0.80 -5.00 117.46 112.34 3f7h n PHE 81 Ca -0.02 -3.72 0.09 0.00 1.01 0.00 0.00 57.45 54.81 3f7h n PHE 81 Cb 0.35 -0.17 0.27 0.00 -0.01 0.00 0.00 39.48 39.92 3f7h n PHE 81 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3f7h h PRO 82 N 5.14 0.83 0.00 -1.08 0.11 -1.78 -0.55 132.00 134.67 3f7h h PRO 82 Ca 0.20 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 3f7h h PRO 82 Cb 0.83 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.76 3f7h h PRO 82 CO 0.53 0.55 -0.01 0.78 -0.21 0.00 0.00 178.00 179.64 3f7h h GLY 83 N 0.85 0.00 -1.56 -0.55 0.00 -1.94 -1.63 103.07 98.23 3f7h h GLY 83 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 3f7h h GLY 83 CO -0.32 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.25 3f7h n MET 84 N -4.06 2.14 0.18 4.80 2.81 -0.21 -3.73 117.12 119.04 3f7h n MET 84 Ca -0.03 -1.21 0.14 0.00 -1.81 0.00 0.00 57.70 54.79 3f7h n MET 84 Cb 0.10 -1.50 0.56 0.00 -0.71 0.00 0.00 33.22 31.66 3f7h n MET 84 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3f7h h GLY 85 N 4.99 0.00 -5.56 3.03 0.00 -1.36 -3.42 103.07 100.74 3f7h h GLY 85 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 3f7h h GLY 85 CO 0.09 0.00 0.88 -0.45 0.00 0.00 0.00 176.54 177.07 3f7h s SER 86 N -4.70 6.89 0.33 0.19 0.15 -1.24 -4.93 113.70 110.38 3f7h s SER 86 Ca 0.03 1.26 0.01 0.00 0.70 0.00 0.00 55.95 57.95 3f7h s SER 86 Cb 0.09 -2.54 0.55 0.00 -1.71 0.00 0.00 66.02 62.42 3f7h s SER 86 CO 0.44 -0.88 1.96 -0.08 1.20 0.00 0.00 173.24 175.88 3f7h h GLU 87 N 8.34 0.87 -0.75 5.44 4.81 -1.91 -1.24 114.58 130.14 3f7h h GLU 87 Ca -0.23 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 58.93 3f7h h GLU 87 Cb 1.08 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 3f7h h GLU 87 CO 1.01 0.62 0.50 1.49 -0.73 0.00 0.00 179.01 181.90 3f7h h GLU 88 N 0.88 0.98 -0.29 1.92 4.81 -1.96 -0.45 114.58 120.48 3f7h h GLU 88 Ca 0.23 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.25 3f7h h GLU 88 Cb -0.01 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 3f7h h GLU 88 CO -0.04 0.65 -0.42 1.25 -0.73 0.00 0.00 179.01 179.72 3f7h h LEU 89 N 1.01 0.75 -0.66 1.64 5.85 -1.77 -1.22 115.31 120.91 3f7h h LEU 89 Ca 0.27 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.67 3f7h h LEU 89 Cb -0.11 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 3f7h h LEU 89 CO -0.06 1.07 0.43 0.03 -0.34 0.00 0.00 178.44 179.56 3f7h h ARG 90 N 0.57 0.83 -0.68 1.25 3.08 -0.88 -2.30 114.38 116.26 3f7h h ARG 90 Ca 0.04 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 3f7h h ARG 90 Cb 0.96 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 3f7h h ARG 90 CO 0.09 0.55 0.12 1.25 -1.07 0.00 0.00 179.97 180.91 3f7h h LEU 91 N 0.86 1.06 -1.30 3.04 5.85 -0.87 -2.53 115.31 121.43 3f7h h LEU 91 Ca 0.25 -0.26 0.10 0.00 0.84 0.00 0.00 57.88 58.82 3f7h h LEU 91 Cb -0.06 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.63 3f7h h LEU 91 CO -0.07 1.05 0.54 0.00 -0.34 0.00 0.00 178.44 179.62 3f7h h ALA 92 N 1.05 1.74 0.00 1.25 0.00 -0.87 -2.02 119.26 120.42 3f7h h ALA 92 Ca 0.21 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3f7h h ALA 92 Cb 0.43 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3f7h h ALA 92 CO 0.01 0.07 -0.00 0.66 0.00 0.00 0.00 179.25 179.99 3f7h h SER 93 N 0.76 0.00 -0.22 0.00 4.64 -0.96 -1.95 113.55 115.82 3f7h h SER 93 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3f7h h SER 93 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3f7h h SER 93 CO -0.16 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.29 3f7h n PHE 94 N -3.11 0.43 0.04 4.77 3.72 -0.76 -4.24 117.46 118.31 3f7h n PHE 94 Ca -0.03 -0.18 0.17 0.00 -0.05 0.00 0.00 57.45 57.36 3f7h n PHE 94 Cb 0.09 -0.08 0.65 0.00 -0.94 0.00 0.00 39.48 39.21 3f7h n PHE 94 CO 0.00 0.00 0.00 0.10 -0.05 0.00 0.00 176.76 176.81 3f7h h TYR 95 N 1.36 0.07 -0.31 1.38 -0.00 -1.53 -2.14 116.97 115.80 3f7h h TYR 95 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.59 3f7h h TYR 95 Cb 0.53 -0.02 -0.08 0.00 0.00 0.00 0.00 36.73 37.16 3f7h h TYR 95 CO 0.22 0.03 -0.08 -0.40 -0.00 0.00 0.00 178.16 177.94 3f7h n ASP 96 N -4.43 2.67 -4.69 0.10 5.75 -1.26 -5.03 116.55 109.66 3f7h n ASP 96 Ca 0.07 -3.64 -0.44 0.00 -0.01 0.00 0.00 54.79 50.78 3f7h n ASP 96 Cb 0.47 -0.61 -0.02 0.00 -1.03 0.00 0.00 41.12 39.93 3f7h n ASP 96 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3f7h n TRP 97 N -1.04 2.35 -1.78 2.11 -0.00 -0.81 -4.90 117.44 113.37 3f7h n TRP 97 Ca 0.30 0.38 -0.40 0.00 -0.00 0.00 0.00 57.50 57.78 3f7h n TRP 97 Cb 0.99 -2.50 0.02 0.00 -0.00 0.00 0.00 31.31 29.82 3f7h n TRP 97 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 177.69 175.55 3f7h s PRO 98 N -0.39 3.72 0.15 5.87 0.02 -1.26 -4.88 135.00 138.22 3f7h s PRO 98 Ca 0.67 2.45 0.22 0.00 0.02 0.00 0.00 61.00 64.36 3f7h s PRO 98 Cb -0.61 -2.69 0.87 0.00 0.02 0.00 0.00 34.50 32.09 3f7h s PRO 98 CO 0.49 -0.80 1.66 1.28 -0.33 0.00 0.00 177.00 179.30 3f7h n LEU 99 N -0.14 0.41 -0.02 -5.54 4.77 -1.26 -1.80 117.00 113.43 3f7h n LEU 99 Ca 0.05 0.59 0.13 0.00 -0.03 0.00 0.00 56.01 56.74 3f7h n LEU 99 Cb 0.41 -0.51 0.36 0.00 -2.33 0.00 0.00 43.42 41.35 3f7h n LEU 99 CO 0.60 -0.36 0.60 0.35 -1.33 0.00 0.00 177.39 177.25 3f7h n THR 100 N -1.94 0.00 -1.33 -5.08 -2.24 -1.26 -4.98 114.28 97.45 3f7h n THR 100 Ca 0.03 -0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.48 3f7h n THR 100 Cb 0.25 0.08 0.09 0.00 -2.10 0.00 0.00 70.33 68.65 3f7h n THR 100 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3f7h s ALA 101 N -2.94 2.12 -0.36 6.98 0.00 -0.75 -4.98 121.76 121.84 3f7h s ALA 101 Ca 0.13 0.59 0.03 0.00 0.00 0.00 0.00 51.96 52.71 3f7h s ALA 101 Cb 0.18 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 19.95 3f7h s ALA 101 CO 0.64 -1.87 0.64 0.39 0.00 0.00 0.00 175.76 175.56 3f7h n GLU 102 N -3.13 -0.26 -4.30 0.00 1.02 -1.26 -4.98 120.64 107.74 3f7h n GLU 102 Ca 0.11 -0.77 -0.20 0.00 -0.02 0.00 0.00 57.16 56.29 3f7h n GLU 102 Cb 0.52 -1.06 -0.16 0.00 -0.02 0.00 0.00 31.44 30.72 3f7h n GLU 102 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3f7h s VAL 103 N -0.32 0.67 0.23 2.62 1.01 -1.26 -4.18 120.40 119.17 3f7h s VAL 103 Ca 0.04 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 3f7h s VAL 103 Cb 0.03 -0.62 -0.09 0.00 0.00 0.00 0.00 36.38 35.70 3f7h s VAL 103 CO 0.04 0.22 1.14 -2.16 0.00 0.00 0.00 175.10 174.34 3f7h s PRO 104 N 0.37 4.58 0.32 2.72 0.04 -1.26 -4.95 135.00 136.82 3f7h s PRO 104 Ca -0.05 1.82 0.10 0.00 0.04 0.00 0.00 61.00 62.91 3f7h s PRO 104 Cb -0.10 -3.22 0.94 0.00 0.04 0.00 0.00 34.50 32.17 3f7h s PRO 104 CO 0.00 0.08 1.68 -1.35 0.04 0.00 0.00 177.00 177.46 3f7h h PRO 105 N 4.47 0.37 -0.64 0.56 0.11 -1.98 -2.34 132.00 132.55 3f7h h PRO 105 Ca -0.46 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.65 3f7h h PRO 105 Cb 1.21 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 3f7h h PRO 105 CO 0.70 0.25 0.41 1.49 -0.21 0.00 0.00 178.00 180.63 3f7h h GLU 106 N 0.38 0.79 -0.41 1.05 4.22 -1.95 -0.05 114.58 118.60 3f7h h GLU 106 Ca 0.67 -0.05 -0.14 0.00 0.08 0.00 0.00 59.36 59.92 3f7h h GLU 106 Cb 1.41 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3f7h h GLU 106 CO -0.57 0.52 -0.31 -0.07 -2.18 0.00 0.00 179.01 176.41 3f7h h LEU 107 N 0.81 0.98 -0.11 1.64 3.38 -1.83 -2.53 115.31 117.65 3f7h h LEU 107 Ca 0.25 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3f7h h LEU 107 Cb -0.03 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 3f7h h LEU 107 CO -0.08 1.21 0.05 -0.07 0.09 0.00 0.00 178.44 179.64 3f7h h LEU 108 N 0.76 0.14 -1.05 1.67 3.38 -1.13 -2.74 115.31 116.34 3f7h h LEU 108 Ca 0.08 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3f7h h LEU 108 Cb 0.89 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 3f7h h LEU 108 CO 0.08 0.24 0.64 0.00 0.09 0.00 0.00 178.44 179.49 3f7h h ALA 109 N 0.91 1.34 -0.25 1.53 0.00 -1.05 -1.98 119.26 119.76 3f7h h ALA 109 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3f7h h ALA 109 Cb 0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3f7h h ALA 109 CO -0.00 0.58 0.12 0.00 0.00 0.00 0.00 179.25 179.95 3f7h h ALA 110 N 1.42 1.74 -0.35 0.00 0.00 -1.28 -2.34 119.26 118.44 3f7h h ALA 110 Ca 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3f7h h ALA 110 Cb -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3f7h h ALA 110 CO -0.10 0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.37 3f7h n ALA 111 N -2.50 2.83 -0.25 0.00 0.00 -0.85 -4.90 120.51 114.85 3f7h n ALA 111 Ca 0.01 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.60 3f7h n ALA 111 Cb 0.11 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3f7h n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3f7h n GLY 112 N 0.74 0.63 3.86 0.00 0.00 -0.88 -4.89 105.19 104.64 3f7h n GLY 112 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3f7h n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f7h s PHE 113 N -2.50 3.60 0.10 1.61 0.08 -0.80 -1.57 117.98 118.50 3f7h s PHE 113 Ca 0.00 0.90 0.05 0.00 0.12 0.00 0.00 56.93 58.00 3f7h s PHE 113 Cb 0.00 -2.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.17 3f7h s PHE 113 CO 0.00 0.49 -0.12 -0.59 -0.10 0.00 0.00 175.22 174.90 3f7h s PHE 114 N -1.40 1.23 0.10 0.36 -0.12 -0.18 -3.61 117.98 114.35 3f7h s PHE 114 Ca 0.34 -0.58 -0.29 0.00 -0.05 0.00 0.00 56.93 56.35 3f7h s PHE 114 Cb -0.14 -0.66 -0.06 0.00 -0.63 0.00 0.00 43.02 41.53 3f7h s PHE 114 CO 0.18 0.07 0.91 -1.58 -0.05 0.00 0.00 175.22 174.75 3f7h s HIS 115 N -2.13 3.80 -1.03 3.49 5.65 -1.26 -1.09 115.29 122.72 3f7h s HIS 115 Ca 0.06 1.72 0.28 0.00 0.25 0.00 0.00 55.06 57.37 3f7h s HIS 115 Cb -0.05 -2.99 1.02 0.00 -1.18 0.00 0.00 32.58 29.38 3f7h s HIS 115 CO 0.02 0.24 1.77 0.25 -0.65 0.00 0.00 174.74 176.37 3f7h n THR 116 N 2.70 0.00 -0.31 0.89 -2.24 -0.78 -4.86 114.28 109.68 3f7h n THR 116 Ca 0.01 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3f7h n THR 116 Cb 0.49 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 3f7h n THR 116 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3f7h n GLY 117 N 1.49 0.72 2.96 3.38 0.00 -1.26 -5.07 105.19 107.41 3f7h n GLY 117 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 3f7h n GLY 117 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3f7h s HIS 118 N -2.41 1.55 0.00 1.61 3.76 -1.26 -5.07 115.29 113.48 3f7h s HIS 118 Ca 0.00 -0.72 0.00 0.00 -0.15 0.00 0.00 55.06 54.19 3f7h s HIS 118 Cb 0.00 -1.22 0.00 0.00 1.11 0.00 0.00 32.58 32.47 3f7h s HIS 118 CO 0.00 -0.45 0.00 1.04 -0.85 0.00 0.00 174.74 174.48 3f7h n GLN 119 N 4.51 0.00 -1.27 1.40 3.00 -1.26 -1.82 117.38 121.94 3f7h n GLN 119 Ca -0.17 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.56 3f7h n GLN 119 Cb 0.51 0.00 0.13 0.00 0.00 0.00 0.00 30.24 30.88 3f7h n GLN 119 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 3f7h n ASP 120 N -1.45 5.22 -4.71 1.08 5.75 -1.26 -4.45 116.55 116.73 3f7h n ASP 120 Ca 0.00 -3.71 -0.42 0.00 -0.01 0.00 0.00 54.79 50.65 3f7h n ASP 120 Cb 0.00 -0.84 -0.03 0.00 -1.03 0.00 0.00 41.12 39.22 3f7h n ASP 120 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3f7h s LYS 121 N -3.52 4.51 0.14 0.11 1.02 -0.76 -4.44 119.74 116.81 3f7h s LYS 121 Ca 0.58 1.52 0.06 0.00 0.02 0.00 0.00 55.97 58.15 3f7h s LYS 121 Cb 0.48 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 3f7h s LYS 121 CO 0.04 -0.13 -0.13 0.14 -0.92 0.00 0.00 175.35 174.35 3f7h s VAL 122 N 1.10 1.38 0.06 3.17 -7.23 -0.44 -1.87 120.40 116.56 3f7h s VAL 122 Ca 0.54 -1.88 0.06 0.00 -1.81 0.00 0.00 61.98 58.88 3f7h s VAL 122 Cb -0.23 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 3f7h s VAL 122 CO 0.28 -0.52 -0.16 -0.13 -0.31 0.00 0.00 175.10 174.26 3f7h s ARG 123 N -3.07 0.99 0.10 4.82 0.52 -0.25 -1.31 118.95 120.74 3f7h s ARG 123 Ca 0.13 -0.94 -0.30 0.00 -0.52 0.00 0.00 55.73 54.10 3f7h s ARG 123 Cb -0.03 -1.07 -0.06 0.00 0.52 0.00 0.00 34.95 34.31 3f7h s ARG 123 CO 0.03 0.25 1.19 0.00 0.02 0.00 0.00 175.30 176.80 3f7h h PHE 125 N 6.28 0.00 0.00 0.00 -0.00 -1.60 -2.07 116.94 119.55 3f7h h PHE 125 Ca -0.43 0.00 -0.11 0.00 -0.00 0.00 0.00 57.97 57.43 3f7h h PHE 125 Cb 1.21 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 37.15 3f7h h PHE 125 CO 0.65 0.11 -0.99 0.34 -0.00 0.00 0.00 178.31 178.42 3f7h n PHE 126 N -3.91 0.72 1.23 6.09 -0.00 -1.26 -0.14 117.46 120.19 3f7h n PHE 126 Ca -0.02 0.31 0.13 0.00 -0.00 0.00 0.00 57.45 57.87 3f7h n PHE 126 Cb 0.20 -0.84 0.32 0.00 -0.00 0.00 0.00 39.48 39.15 3f7h n PHE 126 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3f7h n TYR 128 N -0.35 0.00 -1.67 0.00 4.19 -0.78 -4.96 117.16 113.59 3f7h n TYR 128 Ca 0.13 0.00 -0.46 0.00 3.31 0.00 0.00 57.90 60.87 3f7h n TYR 128 Cb 0.38 -0.00 -0.04 0.00 0.49 0.00 0.00 39.34 40.17 3f7h n TYR 128 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3f7h n GLY 129 N -2.00 1.27 3.81 2.98 0.00 -1.26 -4.34 105.19 105.65 3f7h n GLY 129 Ca 0.00 0.72 -0.36 0.00 0.00 0.00 0.00 46.02 46.38 3f7h n GLY 129 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3f7h s GLY 130 N 1.97 2.08 0.01 -0.02 0.00 -1.26 -1.44 107.32 108.67 3f7h s GLY 130 Ca 0.83 -0.67 0.02 0.00 0.00 0.00 0.00 44.72 44.90 3f7h s GLY 130 CO 0.42 -0.24 -0.08 1.08 0.00 0.00 0.00 173.10 174.28 3f7h s LEU 131 N -0.57 2.08 0.00 0.66 1.43 -0.43 -4.99 118.68 116.86 3f7h s LEU 131 Ca 0.12 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 3f7h s LEU 131 Cb -0.12 -0.35 -0.01 0.00 0.03 0.00 0.00 46.19 45.74 3f7h s LEU 131 CO 0.02 0.02 0.21 0.00 0.23 0.00 0.00 176.35 176.84 3f7h n GLN 132 N 2.51 0.31 -3.70 1.70 10.64 -1.26 -1.33 117.38 126.24 3f7h n GLN 132 Ca -0.16 -1.95 -0.22 0.00 -1.83 0.00 0.00 57.00 52.84 3f7h n GLN 132 Cb 0.57 1.68 0.04 0.00 -0.86 0.00 0.00 30.24 31.67 3f7h n GLN 132 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 3f7h n SER 133 N -2.08 -1.79 -4.75 2.61 7.64 -1.26 -4.92 113.62 109.08 3f7h n SER 133 Ca 0.03 -0.79 -0.41 0.00 1.01 0.00 0.00 58.87 58.71 3f7h n SER 133 Cb 0.37 -4.14 -0.02 0.00 -1.01 0.00 0.00 64.21 59.41 3f7h n SER 133 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3f7h s TRP 134 N -3.59 2.95 0.10 1.43 0.52 -1.26 -5.02 118.94 114.07 3f7h s TRP 134 Ca 0.10 1.06 0.07 0.00 0.02 0.00 0.00 56.10 57.35 3f7h s TRP 134 Cb -0.05 -3.85 -0.04 0.00 -1.15 0.00 0.00 33.47 28.38 3f7h s TRP 134 CO 0.81 -2.71 -0.12 0.15 0.02 0.00 0.00 176.95 175.09 3f7h s LYS 135 N -0.71 2.05 0.05 4.98 -0.14 -1.26 -4.34 119.74 120.36 3f7h s LYS 135 Ca 0.58 -1.06 -0.37 0.00 -1.36 0.00 0.00 55.97 53.76 3f7h s LYS 135 Cb -0.43 -2.26 -0.17 0.00 -1.68 0.00 0.00 37.83 33.30 3f7h s LYS 135 CO 0.47 0.50 1.38 -2.13 -0.76 0.00 0.00 175.35 174.81 3f7h n ARG 136 N 0.75 1.16 0.00 1.68 0.63 -1.26 -1.07 116.66 118.54 3f7h n ARG 136 Ca -0.14 0.42 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 3f7h n ARG 136 Cb 0.52 -2.07 0.00 0.00 0.45 0.00 0.00 32.46 31.37 3f7h n ARG 136 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3f7h n GLY 137 N 2.70 1.48 3.75 5.14 0.00 -1.26 -5.04 105.19 111.96 3f7h n GLY 137 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3f7h n GLY 137 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3f7h s ASP 138 N -2.26 6.37 -0.33 1.61 1.01 -0.23 -4.99 116.67 117.85 3f7h s ASP 138 Ca 0.00 2.96 -0.09 0.00 0.71 0.00 0.00 52.55 56.12 3f7h s ASP 138 Cb 0.00 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.30 3f7h s ASP 138 CO 0.00 -0.91 0.16 -0.62 0.21 0.00 0.00 175.17 174.01 3f7h s ASP 139 N 0.41 5.53 0.27 0.27 2.15 -1.26 -4.99 116.67 119.05 3f7h s ASP 139 Ca 0.62 -0.73 -0.00 0.00 0.43 0.00 0.00 52.55 52.87 3f7h s ASP 139 Cb -0.48 -1.98 0.59 0.00 -0.30 0.00 0.00 42.92 40.75 3f7h s ASP 139 CO 0.50 -0.26 1.71 -0.65 -0.17 0.00 0.00 175.17 176.30 3f7h h PRO 140 N 8.35 0.40 -0.61 4.34 0.11 -1.94 -1.01 132.00 141.65 3f7h h PRO 140 Ca -0.30 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 3f7h h PRO 140 Cb 1.13 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3f7h h PRO 140 CO 0.63 0.26 0.28 -1.49 -0.21 0.00 0.00 178.00 177.47 3f7h h TRP 141 N 0.41 0.89 -0.45 0.65 -0.00 -1.90 -0.14 115.95 115.42 3f7h h TRP 141 Ca 0.49 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.89 59.31 3f7h h TRP 141 Cb 0.84 -0.27 -0.02 0.00 -0.00 0.00 0.00 29.16 29.71 3f7h h TRP 141 CO -0.17 0.69 0.22 1.15 -0.00 0.00 0.00 178.44 180.33 3f7h h THR 142 N 0.84 1.18 -0.66 1.49 2.02 -1.71 -1.87 112.91 114.20 3f7h h THR 142 Ca 0.21 -0.51 -0.08 0.00 0.77 0.00 0.00 66.41 66.80 3f7h h THR 142 Cb 0.14 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 3f7h h THR 142 CO -0.02 0.20 0.11 -0.33 0.37 0.00 0.00 175.52 175.84 3f7h h GLU 143 N 0.59 1.10 -0.55 6.66 4.39 -1.05 0.23 114.58 125.94 3f7h h GLU 143 Ca 0.15 -0.30 0.10 0.00 0.34 0.00 0.00 59.36 59.65 3f7h h GLU 143 Cb 0.11 -0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 28.56 3f7h h GLU 143 CO -0.02 1.01 0.13 1.25 -1.16 0.00 0.00 179.01 180.22 3f7h h HIS 144 N 1.02 0.21 -0.22 4.33 2.76 -0.74 -1.84 115.15 120.68 3f7h h HIS 144 Ca 0.20 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.22 3f7h h HIS 144 Cb 0.44 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.39 3f7h h HIS 144 CO 0.03 0.00 -0.61 0.00 -1.30 0.00 0.00 177.93 176.06 3f7h h ALA 145 N 1.42 0.50 -0.13 5.26 0.00 -0.98 -0.97 119.26 124.37 3f7h h ALA 145 Ca 0.28 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.68 3f7h h ALA 145 Cb 0.39 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3f7h h ALA 145 CO -0.35 0.69 -0.04 0.87 0.00 0.00 0.00 179.25 180.42 3f7h h LYS 146 N 0.56 -0.01 0.00 0.00 1.57 -0.62 -3.18 116.57 114.89 3f7h h LYS 146 Ca -0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.48 3f7h h LYS 146 Cb 1.21 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.46 3f7h h LYS 146 CO 0.13 -0.01 -2.06 0.91 -0.57 0.00 0.00 179.45 177.85 3f7h n TRP 147 N -5.17 0.39 -3.04 -1.35 7.02 -0.72 -4.60 117.44 109.97 3f7h n TRP 147 Ca -0.04 0.14 -0.21 0.00 -1.02 0.00 0.00 57.50 56.37 3f7h n TRP 147 Cb 0.10 -1.02 -0.03 0.00 -2.42 0.00 0.00 31.31 27.94 3f7h n TRP 147 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3f7h n PHE 148 N -2.81 1.78 0.27 -5.99 3.72 -0.37 -4.94 117.46 109.12 3f7h n PHE 148 Ca -0.23 -3.80 0.15 0.00 -0.05 0.00 0.00 57.45 53.52 3f7h n PHE 148 Cb 1.04 -0.43 0.76 0.00 -0.94 0.00 0.00 39.48 39.91 3f7h n PHE 148 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3f7h h PRO 149 N 2.98 0.00 -0.01 -1.08 0.13 -1.70 -2.24 132.00 130.08 3f7h h PRO 149 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3f7h h PRO 149 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3f7h h PRO 149 CO 0.63 0.00 -0.07 0.41 -0.23 0.00 0.00 178.00 178.74 3f7h n GLY 150 N -0.83 -0.55 3.70 1.56 0.00 -1.26 -4.90 105.19 102.91 3f7h n GLY 150 Ca -0.01 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 3f7h n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f7h h GLN 152 N 8.14 0.23 -0.18 0.00 4.20 -1.92 -1.83 115.11 123.75 3f7h h GLN 152 Ca -0.44 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.10 3f7h h GLN 152 Cb 1.21 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.01 3f7h h GLN 152 CO 0.94 0.77 0.10 0.35 -0.67 0.00 0.00 178.83 180.32 3f7h h PHE 153 N 0.17 0.25 -0.49 2.96 3.57 -1.97 -1.35 116.94 120.07 3f7h h PHE 153 Ca -0.01 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.56 3f7h h PHE 153 Cb 1.13 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.73 3f7h h PHE 153 CO 0.02 0.23 0.15 1.25 -2.23 0.00 0.00 178.31 177.73 3f7h h LEU 154 N 0.19 0.11 -0.27 0.59 5.85 -1.91 -1.08 115.31 118.79 3f7h h LEU 154 Ca 0.06 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3f7h h LEU 154 Cb 0.07 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3f7h h LEU 154 CO -0.01 0.09 0.10 0.25 -0.34 0.00 0.00 178.44 178.53 3f7h h LEU 155 N 0.30 0.38 -1.24 2.25 5.85 -1.21 0.20 115.31 121.84 3f7h h LEU 155 Ca 0.24 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3f7h h LEU 155 Cb 0.28 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3f7h h LEU 155 CO -0.27 0.45 0.35 -0.09 -0.34 0.00 0.00 178.44 178.53 3f7h h ARG 156 N 0.28 0.87 0.23 1.25 9.65 -1.12 0.62 114.38 126.15 3f7h h ARG 156 Ca 0.09 -0.09 -0.33 0.00 -1.10 0.00 0.00 59.98 58.55 3f7h h ARG 156 Cb 0.20 -0.18 0.03 0.00 -1.39 0.00 0.00 29.97 28.63 3f7h h ARG 156 CO -0.01 0.64 -1.46 0.77 2.80 0.00 0.00 179.97 182.72 3f7h h SER 157 N 0.88 0.76 0.00 -3.80 0.02 -0.85 -3.41 113.55 107.14 3f7h h SER 157 Ca 0.23 -0.83 -0.03 0.00 -0.84 0.00 0.00 61.79 60.32 3f7h h SER 157 Cb 0.02 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.31 3f7h h SER 157 CO -0.04 1.65 -1.17 0.29 -1.14 0.00 0.00 176.83 176.42 3f7h n LYS 158 N -3.67 1.79 0.00 3.45 4.76 0.03 -5.09 118.16 119.42 3f7h n LYS 158 Ca -0.16 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 3f7h n LYS 158 Cb 1.09 -1.08 0.00 0.00 -1.84 0.00 0.00 35.03 33.21 3f7h n LYS 158 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3f7h n GLY 159 N 2.57 -0.56 0.22 0.72 0.00 0.20 -4.43 105.19 103.92 3f7h n GLY 159 Ca -0.03 -1.65 -0.07 0.00 0.00 0.00 0.00 46.02 44.27 3f7h n GLY 159 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3f7h h GLN 160 N 0.00 0.52 -0.69 1.61 5.75 -1.93 -3.16 115.11 117.20 3f7h h GLN 160 Ca 0.00 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.21 3f7h h GLN 160 Cb 0.00 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 3f7h h GLN 160 CO 0.00 0.85 0.36 1.49 -2.65 0.00 0.00 178.83 178.88 3f7h h GLU 161 N 0.43 0.97 -0.53 1.69 4.81 -1.99 0.08 114.58 120.04 3f7h h GLU 161 Ca 0.03 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.19 3f7h h GLU 161 Cb 0.91 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 30.06 3f7h h GLU 161 CO 0.08 0.74 0.27 -0.92 -0.73 0.00 0.00 179.01 178.45 3f7h h TYR 162 N 0.95 0.49 -0.00 0.92 3.20 -1.76 -0.30 116.97 120.47 3f7h h TYR 162 Ca 0.24 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.13 3f7h h TYR 162 Cb 0.06 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 3f7h h TYR 162 CO -0.00 0.23 -0.00 0.82 -1.64 0.00 0.00 178.16 177.57 3f7h h ILE 163 N 0.51 1.30 -0.66 1.81 2.04 -1.43 -2.84 117.51 118.23 3f7h h ILE 163 Ca 0.24 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.27 3f7h h ILE 163 Cb 0.15 1.89 -0.05 0.00 -0.74 0.00 0.00 36.82 38.07 3f7h h ILE 163 CO -0.17 0.23 0.40 0.78 0.00 0.00 0.00 178.15 179.39 3f7h h ASN 164 N -0.37 0.63 -0.94 1.72 4.21 -0.89 -2.61 115.58 117.33 3f7h h ASN 164 Ca 0.00 0.01 0.04 0.00 1.21 0.00 0.00 56.30 57.56 3f7h h ASN 164 Cb 0.37 -0.12 -0.06 0.00 -1.12 0.00 0.00 38.32 37.39 3f7h h ASN 164 CO 0.00 0.43 0.61 -1.13 -1.29 0.00 0.00 177.43 176.05 3f7h h ASN 165 N 0.77 1.00 -0.82 5.81 -1.24 -1.02 0.43 115.58 120.51 3f7h h ASN 165 Ca 0.27 -0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.25 3f7h h ASN 165 Cb 0.07 -0.22 -0.04 0.00 0.73 0.00 0.00 38.32 38.86 3f7h h ASN 165 CO -0.13 0.67 0.37 0.40 -1.29 0.00 0.00 177.43 177.45 3f7h h ILE 166 N 1.16 1.26 0.00 2.57 2.04 -1.23 0.04 117.51 123.35 3f7h h ILE 166 Ca 0.38 -0.76 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 3f7h h ILE 166 Cb 0.05 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 3f7h h ILE 166 CO -0.14 0.32 -0.29 0.45 0.00 0.00 0.00 178.15 178.49 3f7h h HIS 167 N 1.18 0.00 0.18 1.37 3.86 -1.04 -2.62 115.15 118.08 3f7h h HIS 167 Ca 0.28 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 59.17 3f7h h HIS 167 Cb 0.15 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.64 3f7h h HIS 167 CO 0.02 0.29 -1.51 -0.07 0.86 0.00 0.00 177.93 177.52 3f7h h LEU 168 N 0.00 0.58 -0.13 2.43 3.38 -0.58 -3.35 115.31 117.64 3f7h h LEU 168 Ca -0.00 -0.72 -0.23 0.00 0.09 0.00 0.00 57.88 57.02 3f7h h LEU 168 Cb 1.03 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.60 3f7h h LEU 168 CO 0.04 1.58 -0.83 0.71 0.09 0.00 0.00 178.44 180.04 3f7h h THR 169 N 0.10 1.28 -0.00 0.22 1.35 -1.04 -3.51 112.91 111.30 3f7h h THR 169 Ca -0.25 -2.02 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 3f7h h THR 169 Cb 2.07 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 70.54 3f7h h THR 169 CO 0.21 0.64 0.00 1.41 -0.25 0.00 0.00 175.52 177.53