#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fad n ALA 90 N 0.00 -3.01 -1.72 0.00 0.00 -1.26 -4.78 120.51 109.73 1fad n ALA 90 Ca 0.00 -1.11 -0.43 0.00 0.00 0.00 0.00 53.44 51.90 1fad n ALA 90 Cb 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.33 1fad n ALA 90 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1fad s PRO 91 N -4.60 3.23 0.07 0.00 0.04 -1.26 -4.85 135.00 127.63 1fad s PRO 91 Ca 0.48 1.88 -0.26 0.00 0.04 0.00 0.00 61.00 63.14 1fad s PRO 91 Cb -0.06 -4.31 -0.17 0.00 0.04 0.00 0.00 34.50 30.00 1fad s PRO 91 CO 0.39 -1.99 1.64 -1.00 0.04 0.00 0.00 177.00 176.08 1fad h PRO 92 N 14.26 -0.26 -1.96 0.56 0.13 -1.96 -2.68 132.00 140.10 1fad h PRO 92 Ca -0.39 0.02 -0.41 0.00 -0.87 0.00 0.00 66.00 64.35 1fad h PRO 92 Cb 1.22 0.06 -0.15 0.00 0.13 0.00 0.00 31.00 32.26 1fad h PRO 92 CO 0.98 -0.13 0.21 0.41 -0.23 0.00 0.00 178.00 179.25 1fad n GLY 93 N -1.05 3.99 0.12 1.56 0.00 -1.26 -4.58 105.19 103.97 1fad n GLY 93 Ca -0.09 -1.63 0.10 0.00 0.00 0.00 0.00 46.02 44.40 1fad n GLY 93 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1fad n GLU 94 N 1.20 0.13 -0.18 1.61 0.28 -1.01 -2.77 120.64 119.89 1fad n GLU 94 Ca 0.45 0.50 0.06 0.00 -0.16 0.00 0.00 57.16 58.01 1fad n GLU 94 Cb 0.63 -1.83 0.35 0.00 1.43 0.00 0.00 31.44 32.03 1fad n GLU 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1fad h ALA 95 N 2.16 1.70 0.54 -1.84 0.00 -1.88 0.83 119.26 120.77 1fad h ALA 95 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1fad h ALA 95 Cb 0.17 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1fad h ALA 95 CO 0.00 0.18 -0.26 -0.92 0.00 0.00 0.00 179.25 178.25 1fad h TYR 96 N 0.75 -0.67 0.00 0.00 5.03 -1.93 -1.34 116.97 118.81 1fad h TYR 96 Ca 0.31 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.58 1fad h TYR 96 Cb 0.26 0.22 -0.00 0.00 1.55 0.00 0.00 36.73 38.76 1fad h TYR 96 CO -0.00 -0.42 -0.15 1.37 -1.32 0.00 0.00 178.16 177.64 1fad h LEU 97 N -0.96 0.00 -0.80 2.82 -0.00 -1.72 -1.62 115.31 113.02 1fad h LEU 97 Ca -0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.76 1fad h LEU 97 Cb 0.56 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.18 1fad h LEU 97 CO 0.12 0.15 0.29 -0.61 -0.00 0.00 0.00 178.44 178.39 1fad h GLN 98 N 0.00 1.18 -0.37 0.17 4.15 0.75 0.98 115.11 121.97 1fad h GLN 98 Ca -0.00 -0.23 -0.02 0.00 0.77 0.00 0.00 58.65 59.18 1fad h GLN 98 Cb 0.28 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 1fad h GLN 98 CO 0.02 0.97 0.17 0.28 -1.93 0.00 0.00 178.83 178.34 1fad h VAL 99 N 1.14 1.17 -0.24 2.39 2.07 -0.27 -1.18 116.25 121.33 1fad h VAL 99 Ca 0.26 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1fad h VAL 99 Cb 0.24 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1fad h VAL 99 CO -0.02 0.19 0.07 0.00 0.02 0.00 0.00 177.57 177.83 1fad h ALA 100 N 1.02 0.31 -0.01 1.67 0.00 -1.01 -1.80 119.26 119.44 1fad h ALA 100 Ca 0.13 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1fad h ALA 100 Cb 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1fad h ALA 100 CO -0.01 -0.05 0.21 0.74 0.00 0.00 0.00 179.25 180.14 1fad h PHE 101 N 0.22 0.00 0.00 0.00 0.04 0.14 -1.56 116.94 115.78 1fad h PHE 101 Ca 0.08 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.80 1fad h PHE 101 Cb 0.25 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1fad h PHE 101 CO 0.01 0.00 -0.34 0.22 -0.60 0.00 0.00 178.31 177.60 1fad h ASP 102 N 0.00 0.00 -0.72 2.17 1.82 -0.34 -2.43 116.42 116.92 1fad h ASP 102 Ca 0.01 -0.54 -0.03 0.00 -0.39 0.00 0.00 57.03 56.08 1fad h ASP 102 Cb 0.43 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.41 1fad h ASP 102 CO -0.00 0.96 0.34 0.16 -1.61 0.00 0.00 179.24 179.09 1fad h ILE 103 N -1.00 1.24 -0.49 2.25 3.07 -1.24 -1.42 117.51 119.92 1fad h ILE 103 Ca -0.08 -0.68 -0.13 0.00 1.55 0.00 0.00 64.86 65.52 1fad h ILE 103 Cb 0.77 0.35 -0.01 0.00 -0.27 0.00 0.00 36.82 37.66 1fad h ILE 103 CO -0.05 0.28 -0.22 -0.37 -1.05 0.00 0.00 178.15 176.75 1fad h VAL 104 N 1.01 1.27 -0.03 0.16 -1.51 -1.45 -2.40 116.25 113.29 1fad h VAL 104 Ca 0.25 -1.39 -0.00 0.00 -1.23 0.00 0.00 66.70 64.33 1fad h VAL 104 Cb 0.13 1.12 -0.00 0.00 -2.13 0.00 0.00 31.29 30.41 1fad h VAL 104 CO -0.03 0.48 0.02 0.00 -1.23 0.00 0.00 177.57 176.81 1fad n ASP 106 N -5.04 0.61 -0.01 0.00 8.00 -0.57 0.11 116.55 119.65 1fad n ASP 106 Ca -0.07 0.71 -0.22 0.00 0.71 0.00 0.00 54.79 55.93 1fad n ASP 106 Cb 0.05 -0.82 -0.14 0.00 -0.02 0.00 0.00 41.12 40.20 1fad n ASP 106 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1fad h ASN 107 N 0.00 0.35 0.00 -2.24 -1.24 -0.53 -3.44 115.58 108.48 1fad h ASN 107 Ca 0.00 -0.86 -0.18 0.00 0.71 0.00 0.00 56.30 55.97 1fad h ASN 107 Cb 0.18 -0.11 -0.14 0.00 0.73 0.00 0.00 38.32 38.98 1fad h ASN 107 CO 0.00 1.77 -0.25 0.55 -1.29 0.00 0.00 177.43 178.22 1fad n VAL 108 N -3.70 0.00 -0.32 2.57 3.14 0.76 -5.01 118.33 115.76 1fad n VAL 108 Ca -0.31 -1.17 0.22 0.00 -2.96 0.00 0.00 64.34 60.12 1fad n VAL 108 Cb 0.97 0.93 0.43 0.00 -1.06 0.00 0.00 33.84 35.11 1fad n VAL 108 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1fad h GLY 109 N 1.48 1.81 1.53 7.55 0.00 0.81 0.41 103.07 116.66 1fad h GLY 109 Ca -0.35 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1fad h GLY 109 CO -0.12 -0.57 0.22 3.21 0.00 0.00 0.00 176.54 179.28 1fad h ARG 110 N 0.14 0.00 0.00 4.80 -0.00 -1.87 0.11 114.38 117.55 1fad h ARG 110 Ca 0.70 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 60.16 1fad h ARG 110 Cb 1.64 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.60 1fad h ARG 110 CO -0.73 0.00 -0.12 -0.44 0.00 0.00 0.00 179.97 178.68 1fad h ASP 111 N 0.00 0.00 -0.01 7.04 5.19 -0.58 -2.06 116.42 126.00 1fad h ASP 111 Ca 0.00 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.27 1fad h ASP 111 Cb 0.44 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 1fad h ASP 111 CO 0.00 0.12 -0.46 -0.50 -3.12 0.00 0.00 179.24 175.28 1fad h TRP 112 N 0.00 0.67 -1.00 4.55 -0.00 -0.95 -2.00 115.95 117.22 1fad h TRP 112 Ca -0.00 -0.21 0.01 0.00 -0.00 0.00 0.00 58.89 58.69 1fad h TRP 112 Cb 0.49 -0.14 -0.05 0.00 -0.00 0.00 0.00 29.16 29.47 1fad h TRP 112 CO 0.00 0.91 0.66 0.87 -0.00 0.00 0.00 178.44 180.88 1fad h LYS 113 N 0.45 1.32 -0.00 0.49 1.57 -1.50 1.16 116.57 120.06 1fad h LYS 113 Ca 0.03 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1fad h LYS 113 Cb 0.97 -0.30 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1fad h LYS 113 CO 0.09 0.88 0.00 -0.09 -0.57 0.00 0.00 179.45 179.76 1fad h ARG 114 N 1.36 0.00 0.00 3.15 2.43 -1.37 -2.20 114.38 117.75 1fad h ARG 114 Ca 0.37 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.48 1fad h ARG 114 Cb -0.15 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1fad h ARG 114 CO -0.08 0.09 -0.25 -0.07 -1.51 0.00 0.00 179.97 178.15 1fad h LEU 115 N -0.09 0.00 -0.29 3.80 3.38 -0.68 -2.87 115.31 118.57 1fad h LEU 115 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1fad h LEU 115 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1fad h LEU 115 CO -0.00 0.25 0.19 0.00 0.09 0.00 0.00 178.44 178.97 1fad h ALA 116 N 1.75 0.36 -0.92 1.53 0.00 0.20 0.90 119.26 123.08 1fad h ALA 116 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1fad h ALA 116 Cb 0.69 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1fad h ALA 116 CO 0.03 -0.17 0.52 0.00 0.00 0.00 0.00 179.25 179.63 1fad h ARG 117 N 0.38 1.27 -0.34 0.00 2.47 -1.27 -0.67 114.38 116.22 1fad h ARG 117 Ca 0.11 -0.14 -0.08 0.00 -1.26 0.00 0.00 59.98 58.61 1fad h ARG 117 Cb -0.04 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.01 1fad h ARG 117 CO -0.03 0.91 -0.11 0.93 0.56 0.00 0.00 179.97 182.23 1fad h GLU 118 N 1.28 0.58 0.00 0.04 5.08 -1.05 -0.51 114.58 120.00 1fad h GLU 118 Ca 0.32 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1fad h GLU 118 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1fad h GLU 118 CO -0.05 0.69 0.00 1.28 -1.00 0.00 0.00 179.01 179.92 1fad n LEU 119 N -4.19 0.00 -3.47 1.33 4.77 0.30 -4.89 117.00 110.85 1fad n LEU 119 Ca 0.01 0.32 -0.19 0.00 -0.03 0.00 0.00 56.01 56.12 1fad n LEU 119 Cb 0.33 -0.32 0.09 0.00 -2.33 0.00 0.00 43.42 41.19 1fad n LEU 119 CO 0.41 -0.11 0.15 0.29 -1.33 0.00 0.00 177.39 176.80 1fad n LYS 120 N -1.32 -7.01 -2.57 3.23 5.02 -0.20 -4.97 118.16 110.33 1fad n LYS 120 Ca 0.09 0.84 -0.34 0.00 -2.02 0.00 0.00 58.31 56.88 1fad n LYS 120 Cb 0.17 -5.86 -0.04 0.00 -0.02 0.00 0.00 35.03 29.28 1fad n LYS 120 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1fad s VAL 121 N -3.35 3.92 -0.02 -0.18 1.01 -1.09 -4.92 120.40 115.77 1fad s VAL 121 Ca 0.17 1.18 -0.36 0.00 0.00 0.00 0.00 61.98 62.97 1fad s VAL 121 Cb -0.08 -3.48 -0.14 0.00 0.00 0.00 0.00 36.38 32.68 1fad s VAL 121 CO 0.73 -0.28 1.63 -1.20 0.00 0.00 0.00 175.10 175.98 1fad n SER 122 N -0.96 2.67 0.14 3.32 7.64 -1.26 -4.80 113.62 120.36 1fad n SER 122 Ca 0.09 1.06 0.17 0.00 1.01 0.00 0.00 58.87 61.20 1fad n SER 122 Cb 0.53 -1.29 0.76 0.00 -1.01 0.00 0.00 64.21 63.20 1fad n SER 122 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1fad h GLU 123 N 6.72 0.00 -0.26 1.43 4.81 -2.00 -1.46 114.58 123.82 1fad h GLU 123 Ca -0.47 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.78 1fad h GLU 123 Cb 1.29 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 1fad h GLU 123 CO 0.89 0.00 0.12 0.00 -0.73 0.00 0.00 179.01 179.29 1fad h ALA 124 N 1.75 0.31 -0.00 2.92 0.00 -1.99 0.26 119.26 122.51 1fad h ALA 124 Ca 0.14 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1fad h ALA 124 Cb 0.65 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1fad h ALA 124 CO -0.00 -0.28 0.00 0.87 0.00 0.00 0.00 179.25 179.84 1fad h LYS 125 N 0.26 0.00 -0.98 0.00 1.57 -1.63 -2.18 116.57 113.62 1fad h LYS 125 Ca 0.11 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1fad h LYS 125 Cb 0.04 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 1fad h LYS 125 CO -0.08 0.01 0.65 0.52 -0.57 0.00 0.00 179.45 179.98 1fad h MET 126 N -0.00 1.28 -0.81 3.15 2.86 -1.43 -1.98 114.93 117.99 1fad h MET 126 Ca 0.00 -0.08 0.05 0.00 -2.06 0.00 0.00 59.70 57.61 1fad h MET 126 Cb 0.01 -0.29 -0.05 0.00 0.06 0.00 0.00 31.60 31.33 1fad h MET 126 CO -0.00 0.85 0.53 0.22 1.06 0.00 0.00 176.91 179.57 1fad h ASP 127 N 1.32 0.82 0.02 1.22 1.82 0.02 -0.17 116.42 121.47 1fad h ASP 127 Ca 0.36 -0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 57.00 1fad h ASP 127 Cb -0.14 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 39.69 1fad h ASP 127 CO -0.08 0.55 -0.01 1.23 -1.61 0.00 0.00 179.24 179.32 1fad h GLY 128 N 0.94 -0.03 0.98 -0.78 0.00 -0.77 -2.48 103.07 100.93 1fad h GLY 128 Ca 0.34 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1fad h GLY 128 CO -0.11 -0.01 0.03 1.19 0.00 0.00 0.00 176.54 177.63 1fad h ILE 129 N -0.73 1.03 -0.00 2.60 6.09 -1.25 0.26 117.51 125.50 1fad h ILE 129 Ca -0.00 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.42 1fad h ILE 129 Cb 0.67 1.00 -0.00 0.00 0.47 0.00 0.00 36.82 38.95 1fad h ILE 129 CO 0.01 0.02 0.00 -0.33 -3.07 0.00 0.00 178.15 174.78 1fad h GLU 130 N 0.04 0.00 -0.10 2.19 5.08 -1.15 0.93 114.58 121.57 1fad h GLU 130 Ca 0.01 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1fad h GLU 130 Cb 0.01 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1fad h GLU 130 CO -0.00 0.00 -0.00 1.49 -1.00 0.00 0.00 179.01 179.50 1fad h GLU 131 N 0.00 0.18 -0.43 2.33 4.81 -1.37 -3.26 114.58 116.84 1fad h GLU 131 Ca 0.00 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.02 1fad h GLU 131 Cb 0.00 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1fad h GLU 131 CO -0.00 0.45 -0.30 0.87 -0.73 0.00 0.00 179.01 179.29 1fad h LYS 132 N -0.10 0.97 -4.49 1.92 1.57 -0.93 -3.39 116.57 112.11 1fad h LYS 132 Ca 0.03 -0.46 -0.71 0.00 -1.87 0.00 0.00 60.65 57.64 1fad h LYS 132 Cb 0.36 -0.01 -0.29 0.00 0.08 0.00 0.00 32.23 32.38 1fad h LYS 132 CO 0.01 1.13 -0.50 0.71 -0.57 0.00 0.00 179.45 180.22 1fad s TYR 133 N -4.53 3.35 -0.37 -1.35 2.02 0.32 -4.94 117.35 111.85 1fad s TYR 133 Ca -0.11 -1.61 0.22 0.00 -0.37 0.00 0.00 57.07 55.19 1fad s TYR 133 Cb 0.12 -2.87 0.26 0.00 -0.40 0.00 0.00 41.96 39.07 1fad s TYR 133 CO 0.88 -0.84 1.51 -1.00 -1.57 0.00 0.00 175.55 174.52 1fad h PRO 134 N 8.33 0.00 0.00 -1.71 0.13 -1.78 -3.41 132.00 133.57 1fad h PRO 134 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1fad h PRO 134 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1fad h PRO 134 CO 0.72 0.07 -0.17 -2.13 -0.23 0.00 0.00 178.00 176.26 1fad n ARG 135 N -3.06 0.00 -3.04 0.86 0.00 -1.26 -5.06 116.66 105.10 1fad n ARG 135 Ca 0.03 -0.38 -0.43 0.00 -0.00 0.00 0.00 57.85 57.07 1fad n ARG 135 Cb 0.56 -0.21 -0.06 0.00 0.00 0.00 0.00 32.46 32.75 1fad n ARG 135 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1fad s SER 136 N -0.34 6.33 0.15 6.15 0.01 -1.26 -4.90 113.70 119.84 1fad s SER 136 Ca 0.00 -0.40 -0.15 0.00 1.31 0.00 0.00 55.95 56.71 1fad s SER 136 Cb 0.00 -2.35 0.02 0.00 0.21 0.00 0.00 66.02 63.90 1fad s SER 136 CO 0.00 -0.91 1.75 0.25 0.41 0.00 0.00 173.24 174.75 1fad h LEU 137 N 10.02 0.55 -0.37 2.44 5.85 -1.97 -1.87 115.31 129.97 1fad h LEU 137 Ca -0.26 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 1fad h LEU 137 Cb 1.09 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1fad h LEU 137 CO 0.96 0.49 0.06 -1.28 -0.34 0.00 0.00 178.44 178.32 1fad h SER 138 N 0.57 0.58 -0.57 1.25 0.87 -1.93 -2.86 113.55 111.47 1fad h SER 138 Ca 0.15 -0.26 -0.11 0.00 -1.23 0.00 0.00 61.79 60.34 1fad h SER 138 Cb 0.06 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 1fad h SER 138 CO -0.02 0.70 -0.08 -0.33 -0.53 0.00 0.00 176.83 176.56 1fad h GLU 139 N 0.45 1.06 0.30 2.24 4.39 -1.93 -2.09 114.58 118.99 1fad h GLU 139 Ca 0.11 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.42 1fad h GLU 139 Cb 0.36 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1fad h GLU 139 CO 0.01 1.08 -0.14 0.00 -1.16 0.00 0.00 179.01 178.79 1fad h ARG 140 N 0.94 -0.39 -0.35 2.33 3.08 -1.36 -3.33 114.38 115.30 1fad h ARG 140 Ca 0.15 0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.13 1fad h ARG 140 Cb 0.66 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 1fad h ARG 140 CO 0.05 -0.05 -0.20 -0.39 -1.07 0.00 0.00 179.97 178.31 1fad h VAL 141 N -0.86 1.26 -0.52 2.04 -1.51 -1.60 -3.28 116.25 111.78 1fad h VAL 141 Ca -0.04 -1.25 0.10 0.00 -1.23 0.00 0.00 66.70 64.28 1fad h VAL 141 Cb 0.52 1.21 -0.10 0.00 -2.13 0.00 0.00 31.29 30.79 1fad h VAL 141 CO 0.07 0.41 -0.14 0.03 -1.23 0.00 0.00 177.57 176.71 1fad h ARG 142 N 0.59 -0.01 -0.30 5.19 2.47 -1.48 0.88 114.38 121.73 1fad h ARG 142 Ca 0.09 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.78 1fad h ARG 142 Cb 0.66 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.97 1fad h ARG 142 CO 0.05 -0.01 0.05 1.49 0.56 0.00 0.00 179.97 182.12 1fad h GLU 143 N -0.01 0.49 -0.87 0.04 4.57 -1.69 0.11 114.58 117.21 1fad h GLU 143 Ca 0.25 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 1fad h GLU 143 Cb 0.39 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 1fad h GLU 143 CO -0.54 0.58 0.45 1.03 -1.18 0.00 0.00 179.01 179.35 1fad h SER 144 N 0.31 1.11 -0.10 1.04 0.87 -1.37 -2.52 113.55 112.91 1fad h SER 144 Ca 0.09 -0.11 -0.15 0.00 -1.23 0.00 0.00 61.79 60.39 1fad h SER 144 Cb 0.33 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1fad h SER 144 CO 0.00 0.91 -0.44 -0.07 -0.53 0.00 0.00 176.83 176.71 1fad h LEU 145 N 1.23 0.69 -0.01 2.23 3.38 0.98 -2.74 115.31 121.06 1fad h LEU 145 Ca 0.30 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1fad h LEU 145 Cb 0.07 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 1fad h LEU 145 CO -0.04 1.03 0.01 0.50 0.09 0.00 0.00 178.44 180.02 1fad h LYS 146 N 0.52 0.01 -0.52 1.13 3.64 -0.55 0.15 116.57 120.95 1fad h LYS 146 Ca 0.04 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 1fad h LYS 146 Cb 0.97 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.76 1fad h LYS 146 CO 0.09 0.01 0.10 -0.39 -2.27 0.00 0.00 179.45 176.99 1fad h VAL 147 N 0.01 1.25 0.39 2.00 -1.51 -1.53 -0.77 116.25 116.09 1fad h VAL 147 Ca 0.00 -0.91 -0.02 0.00 -1.23 0.00 0.00 66.70 64.54 1fad h VAL 147 Cb -0.00 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 29.99 1fad h VAL 147 CO -0.00 0.33 -0.19 -0.25 -1.23 0.00 0.00 177.57 176.23 1fad h TRP 148 N 0.74 -0.48 -0.94 5.19 7.01 -1.28 -1.81 115.95 124.38 1fad h TRP 148 Ca 0.16 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.16 1fad h TRP 148 Cb 0.37 0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 27.55 1fad h TRP 148 CO 0.03 -0.21 0.62 1.57 -2.79 0.00 0.00 178.44 177.66 1fad h LYS 149 N -0.69 1.25 -0.80 2.65 2.10 -0.70 -1.48 116.57 118.90 1fad h LYS 149 Ca -0.05 -0.08 -0.05 0.00 -2.00 0.00 0.00 60.65 58.47 1fad h LYS 149 Cb 0.49 -0.28 -0.04 0.00 -0.90 0.00 0.00 32.23 31.51 1fad h LYS 149 CO 0.09 0.83 0.32 -0.97 -2.00 0.00 0.00 179.45 177.71 1fad h ASN 150 N 1.28 1.11 0.21 7.07 -1.24 -1.05 -3.16 115.58 119.79 1fad h ASN 150 Ca 0.34 -0.18 -0.01 0.00 0.71 0.00 0.00 56.30 57.17 1fad h ASN 150 Cb -0.14 -0.29 0.00 0.00 0.73 0.00 0.00 38.32 38.63 1fad h ASN 150 CO -0.07 0.98 -0.10 0.00 -1.29 0.00 0.00 177.43 176.95 1fad h ALA 151 N 1.17 -0.28 -2.21 1.57 0.00 -0.82 -3.42 119.26 115.28 1fad h ALA 151 Ca 0.27 -0.20 -0.56 0.00 0.00 0.00 0.00 54.91 54.42 1fad h ALA 151 Cb 0.22 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1fad h ALA 151 CO -0.02 -0.44 0.87 -1.21 0.00 0.00 0.00 179.25 178.45 1fad s GLU 152 N -4.34 4.26 0.00 0.00 8.01 -0.60 -4.94 118.70 121.08 1fad s GLU 152 Ca -0.14 1.73 0.00 0.00 0.01 0.00 0.00 54.97 56.57 1fad s GLU 152 Cb 0.02 -3.73 0.00 0.00 -4.31 0.00 0.00 34.13 26.11 1fad s GLU 152 CO 0.56 -0.66 0.00 1.63 0.01 0.00 0.00 175.26 176.80 1fad n LYS 153 N 6.28 0.00 0.02 1.61 5.02 -1.26 -3.06 118.16 126.76 1fad n LYS 153 Ca 0.13 0.19 -0.03 0.00 -2.02 0.00 0.00 58.31 56.59 1fad n LYS 153 Cb 0.45 -0.63 0.22 0.00 -0.02 0.00 0.00 35.03 35.05 1fad n LYS 153 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1fad h LYS 154 N 0.00 0.47 0.00 1.97 1.79 -1.96 -1.92 116.57 116.92 1fad h LYS 154 Ca 0.00 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1fad h LYS 154 Cb 0.00 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1fad h LYS 154 CO 0.00 0.67 0.00 0.09 -1.08 0.00 0.00 179.45 179.13 1fad n ASN 155 N -4.14 0.00 0.07 0.86 5.03 -1.26 -2.83 115.26 112.99 1fad n ASN 155 Ca -0.00 0.04 0.09 0.00 0.87 0.00 0.00 54.58 55.58 1fad n ASN 155 Cb 0.39 -0.31 0.39 0.00 -1.02 0.00 0.00 39.78 39.23 1fad n ASN 155 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1fad n ALA 156 N -1.31 1.62 -2.00 5.41 0.00 -0.72 -3.90 120.51 119.61 1fad n ALA 156 Ca 0.10 0.02 -0.26 0.00 0.00 0.00 0.00 53.44 53.30 1fad n ALA 156 Cb 0.19 -1.30 0.05 0.00 0.00 0.00 0.00 19.45 18.38 1fad n ALA 156 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1fad s SER 157 N -3.62 5.19 0.14 0.00 1.04 -1.13 -4.54 113.70 110.78 1fad s SER 157 Ca 0.05 0.55 -0.17 0.00 0.48 0.00 0.00 55.95 56.86 1fad s SER 157 Cb 0.09 -1.37 -0.01 0.00 0.10 0.00 0.00 66.02 64.83 1fad s SER 157 CO 0.31 -1.33 1.79 -0.37 0.98 0.00 0.00 173.24 174.62 1fad h VAL 158 N -0.37 1.10 -1.07 5.02 -1.51 -1.90 -2.20 116.25 115.31 1fad h VAL 158 Ca -0.45 -0.20 0.29 0.00 -1.23 0.00 0.00 66.70 65.12 1fad h VAL 158 Cb 1.29 0.61 -0.07 0.00 -2.13 0.00 0.00 31.29 30.99 1fad h VAL 158 CO 0.60 0.10 0.74 0.00 -1.23 0.00 0.00 177.57 177.77 1fad h ALA 159 N 1.11 2.67 0.28 5.19 0.00 -1.93 0.83 119.26 127.42 1fad h ALA 159 Ca 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1fad h ALA 159 Cb -0.03 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1fad h ALA 159 CO -0.03 -1.02 -0.14 0.78 0.00 0.00 0.00 179.25 178.84 1fad h GLY 160 N 0.18 -0.40 1.00 0.00 0.00 -1.61 -2.66 103.07 99.58 1fad h GLY 160 Ca 0.56 0.15 -0.02 0.00 0.00 0.00 0.00 47.33 48.02 1fad h GLY 160 CO -0.14 -0.15 -0.16 -2.00 0.00 0.00 0.00 176.54 174.09 1fad h LEU 161 N -0.63 -0.38 -1.33 3.11 5.85 -1.09 -2.80 115.31 118.04 1fad h LEU 161 Ca -0.04 0.01 0.18 0.00 0.84 0.00 0.00 57.88 58.87 1fad h LEU 161 Cb 0.29 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 1fad h LEU 161 CO 0.06 -0.27 0.59 -0.37 -0.34 0.00 0.00 178.44 178.12 1fad h VAL 162 N -0.45 0.74 0.94 1.05 -1.51 0.50 1.28 116.25 118.81 1fad h VAL 162 Ca -0.05 -0.20 -0.05 0.00 -1.23 0.00 0.00 66.70 65.18 1fad h VAL 162 Cb 0.34 0.11 0.01 0.00 -2.13 0.00 0.00 31.29 29.62 1fad h VAL 162 CO 0.07 0.11 -0.47 0.50 -1.23 0.00 0.00 177.57 176.55 1fad h LYS 163 N 0.58 -1.24 -0.29 5.19 3.64 -1.22 -1.37 116.57 121.87 1fad h LYS 163 Ca 0.48 0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.85 1fad h LYS 163 Cb 0.95 0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1fad h LYS 163 CO -0.22 -0.83 -0.20 0.00 -2.27 0.00 0.00 179.45 175.93 1fad h ALA 164 N -1.23 0.41 0.33 5.00 0.00 -1.13 -2.88 119.26 119.76 1fad h ALA 164 Ca -0.13 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1fad h ALA 164 Cb 0.99 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1fad h ALA 164 CO 0.20 0.36 -0.47 1.25 0.00 0.00 0.00 179.25 180.59 1fad h LEU 165 N 0.39 -1.35 -0.45 0.00 5.85 0.16 -1.63 115.31 118.29 1fad h LEU 165 Ca 0.06 0.12 -0.15 0.00 0.84 0.00 0.00 57.88 58.75 1fad h LEU 165 Cb 0.75 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1fad h LEU 165 CO 0.06 -0.58 -0.35 -0.09 -0.34 0.00 0.00 178.44 177.14 1fad h ARG 166 N -0.84 0.91 -0.99 1.25 2.43 -1.37 0.35 114.38 116.12 1fad h ARG 166 Ca -0.04 -0.46 0.01 0.00 -0.81 0.00 0.00 59.98 58.68 1fad h ARG 166 Cb 0.76 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.27 1fad h ARG 166 CO -0.14 1.11 0.65 1.15 -1.51 0.00 0.00 179.97 181.24 1fad h THR 167 N 0.75 1.26 0.03 0.20 2.02 -1.46 -3.22 112.91 112.49 1fad h THR 167 Ca 0.07 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 1fad h THR 167 Cb 0.94 -0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1fad h THR 167 CO 0.09 0.25 -0.02 0.00 0.37 0.00 0.00 175.52 176.21 1fad n ARG 169 N -4.73 0.00 -1.12 0.00 0.63 -0.94 -5.02 116.66 105.48 1fad n ARG 169 Ca -0.08 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.61 1fad n ARG 169 Cb 0.34 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.15 1fad n ARG 169 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1fad n LEU 170 N -0.00 6.75 0.12 6.15 4.32 0.07 -4.57 117.00 129.84 1fad n LEU 170 Ca 0.00 -3.67 0.05 0.00 -0.02 0.00 0.00 56.01 52.37 1fad n LEU 170 Cb 0.00 -1.45 0.49 0.00 -1.62 0.00 0.00 43.42 40.84 1fad n LEU 170 CO 0.00 1.81 1.07 -1.13 -1.22 0.00 0.00 177.39 177.92 1fad h ASN 171 N 4.02 0.25 0.25 -1.43 -0.73 -1.78 -2.89 115.58 113.27 1fad h ASN 171 Ca 0.50 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.65 1fad h ASN 171 Cb 0.91 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.42 1fad h ASN 171 CO 0.96 0.23 -0.27 -0.07 -0.37 0.00 0.00 177.43 177.91 1fad h LEU 172 N 0.28 -0.75 -1.56 0.34 3.38 -1.96 -1.06 115.31 113.99 1fad h LEU 172 Ca 0.07 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1fad h LEU 172 Cb 0.05 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1fad h LEU 172 CO -0.01 -0.35 0.04 -0.37 0.09 0.00 0.00 178.44 177.84 1fad h VAL 173 N -0.52 1.12 -0.77 1.22 -1.51 -1.90 -2.02 116.25 111.86 1fad h VAL 173 Ca -0.03 -0.44 0.01 0.00 -1.23 0.00 0.00 66.70 65.01 1fad h VAL 173 Cb 0.46 0.91 -0.04 0.00 -2.13 0.00 0.00 31.29 30.49 1fad h VAL 173 CO -0.05 0.15 0.51 0.00 -1.23 0.00 0.00 177.57 176.96 1fad h ALA 174 N 1.73 0.98 -0.84 5.19 0.00 -1.27 -2.36 119.26 122.69 1fad h ALA 174 Ca 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1fad h ALA 174 Cb 0.15 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1fad h ALA 174 CO -0.00 0.39 0.46 -0.44 0.00 0.00 0.00 179.25 179.67 1fad h ASP 175 N 1.05 1.04 0.41 0.00 3.32 -0.44 0.10 116.42 121.89 1fad h ASP 175 Ca 0.28 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1fad h ASP 175 Cb -0.12 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.17 1fad h ASP 175 CO -0.06 0.84 -0.20 -0.07 -1.72 0.00 0.00 179.24 178.03 1fad h LEU 176 N 1.16 -0.47 -0.81 1.55 4.07 -1.26 0.41 115.31 119.96 1fad h LEU 176 Ca 0.30 -0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.18 1fad h LEU 176 Cb 0.02 0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.85 1fad h LEU 176 CO -0.05 -0.21 0.47 -0.37 -1.08 0.00 0.00 178.44 177.20 1fad h VAL 177 N -0.71 1.23 0.10 1.22 -1.51 -1.44 0.20 116.25 115.34 1fad h VAL 177 Ca -0.06 -0.55 -0.00 0.00 -1.23 0.00 0.00 66.70 64.86 1fad h VAL 177 Cb 0.50 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 29.79 1fad h VAL 177 CO 0.09 0.25 -0.05 -0.08 -1.23 0.00 0.00 177.57 176.56 1fad h GLU 178 N 1.12 -0.13 -1.00 5.19 4.81 -0.83 0.25 114.58 123.99 1fad h GLU 178 Ca 0.29 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.54 1fad h GLU 178 Cb -0.01 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 1fad h GLU 178 CO -0.05 -0.04 0.66 0.93 -0.73 0.00 0.00 179.01 179.78 1fad h GLU 179 N -0.18 1.32 -0.55 1.92 4.39 0.22 -1.19 114.58 120.51 1fad h GLU 179 Ca -0.01 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.54 1fad h GLU 179 Cb 0.15 -0.30 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 1fad h GLU 179 CO 0.02 0.87 0.07 0.00 -1.16 0.00 0.00 179.01 178.82 1fad h ALA 180 N 1.37 1.11 0.00 3.43 0.00 -0.28 -2.16 119.26 122.73 1fad h ALA 180 Ca 0.37 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1fad h ALA 180 Cb -0.15 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 1fad h ALA 180 CO -0.08 0.58 -0.00 1.96 0.00 0.00 0.00 179.25 181.71 1fad h GLN 181 N 0.83 0.00 -6.28 0.00 4.20 0.08 -3.47 115.11 110.47 1fad h GLN 181 Ca 0.17 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.41 1fad h GLN 181 Cb 0.39 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.14 1fad h GLN 181 CO 0.01 0.00 -0.75 0.39 -0.67 0.00 0.00 178.83 177.81 1fad n GLU 182 N -3.10 -5.70 -0.34 1.46 1.02 -0.55 -5.09 120.64 108.35 1fad n GLU 182 Ca 0.01 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 1fad n GLU 182 Cb 0.35 -5.52 0.00 0.00 -0.02 0.00 0.00 31.44 26.25 1fad n GLU 182 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74