#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fxt s SER 43 N 0.00 5.41 0.17 1.69 0.15 -1.26 -4.98 113.70 114.87 3fxt s SER 43 Ca 0.00 1.58 -0.30 0.00 0.70 0.00 0.00 55.95 57.92 3fxt s SER 43 Cb 0.00 -2.46 -0.08 0.00 -1.71 0.00 0.00 66.02 61.77 3fxt s SER 43 CO 0.00 -1.42 1.29 -0.32 1.20 0.00 0.00 173.24 173.99 3fxt s MET 44 N -5.07 4.40 -0.39 5.44 1.75 -1.26 -4.98 119.30 119.20 3fxt s MET 44 Ca 0.58 2.00 -0.29 0.00 -1.25 0.00 0.00 55.69 56.73 3fxt s MET 44 Cb -0.14 -3.22 0.02 0.00 2.84 0.00 0.00 34.83 34.33 3fxt s MET 44 CO 0.55 -0.26 1.17 0.34 -0.65 0.00 0.00 175.02 176.18 3fxt s ASP 45 N 0.50 6.71 0.00 1.11 -1.08 -1.26 -4.88 116.67 117.77 3fxt s ASP 45 Ca 0.58 0.83 0.31 0.00 -0.52 0.00 0.00 52.55 53.74 3fxt s ASP 45 Cb -0.35 -2.55 1.59 0.00 -1.46 0.00 0.00 42.92 40.15 3fxt s ASP 45 CO 0.36 -1.12 2.06 0.18 0.52 0.00 0.00 175.17 177.17 3fxt n LEU 46 N 7.58 0.23 -3.51 -1.34 4.32 -1.26 -4.93 117.00 118.10 3fxt n LEU 46 Ca 0.13 0.03 -0.18 0.00 -0.02 0.00 0.00 56.01 55.96 3fxt n LEU 46 Cb 0.48 -0.11 0.07 0.00 -1.62 0.00 0.00 43.42 42.24 3fxt n LEU 46 CO 0.66 0.04 0.07 0.00 -1.22 0.00 0.00 177.39 176.94 3fxt n GLN 47 N -0.96 -6.24 -2.45 3.23 6.02 -1.26 -4.72 117.38 111.00 3fxt n GLN 47 Ca 0.19 0.79 -0.36 0.00 -0.01 0.00 0.00 57.00 57.61 3fxt n GLN 47 Cb 0.20 -5.69 -0.03 0.00 1.02 0.00 0.00 30.24 25.74 3fxt n GLN 47 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3fxt s GLY 48 N -4.31 2.66 -0.21 1.08 0.00 -1.26 -4.67 107.32 100.61 3fxt s GLY 48 Ca 0.03 0.74 -0.02 0.00 0.00 0.00 0.00 44.72 45.47 3fxt s GLY 48 CO 0.75 1.13 -0.09 -0.54 0.00 0.00 0.00 173.10 174.35 3fxt s GLU 49 N -2.86 3.14 -0.17 2.90 2.02 0.12 -4.90 118.70 118.95 3fxt s GLU 49 Ca 0.64 -0.76 -0.29 0.00 0.02 0.00 0.00 54.97 54.57 3fxt s GLU 49 Cb -0.22 -2.87 -0.01 0.00 0.10 0.00 0.00 34.13 31.13 3fxt s GLU 49 CO 0.27 -0.25 1.27 -1.17 0.02 0.00 0.00 175.26 175.40 3fxt s LEU 50 N 1.39 4.17 0.00 1.80 2.96 -1.26 0.10 118.68 127.84 3fxt s LEU 50 Ca 0.04 1.68 -0.12 0.00 -0.22 0.00 0.00 54.13 55.52 3fxt s LEU 50 Cb -0.14 -3.54 0.19 0.00 0.50 0.00 0.00 46.19 43.20 3fxt s LEU 50 CO -0.07 -0.77 1.15 -0.90 -1.32 0.00 0.00 176.35 174.44 3fxt n ASP 51 N 6.64 0.37 -0.01 3.68 5.68 0.64 -4.97 116.55 128.59 3fxt n ASP 51 Ca 0.14 -1.59 0.15 0.00 -0.50 0.00 0.00 54.79 53.00 3fxt n ASP 51 Cb 0.45 -0.85 0.84 0.00 -1.14 0.00 0.00 41.12 40.42 3fxt n ASP 51 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 3fxt n ARG 52 N -3.37 0.70 -0.40 0.11 1.85 -1.26 -3.26 116.66 111.03 3fxt n ARG 52 Ca 0.15 -0.01 0.07 0.00 -1.00 0.00 0.00 57.85 57.06 3fxt n ARG 52 Cb 0.53 -1.50 0.22 0.00 -1.05 0.00 0.00 32.46 30.67 3fxt n ARG 52 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3fxt n PHE 53 N -1.14 0.72 -1.01 2.89 3.72 -1.26 -4.96 117.46 116.43 3fxt n PHE 53 Ca 0.19 -1.01 -0.00 0.00 -0.05 0.00 0.00 57.45 56.58 3fxt n PHE 53 Cb 0.18 -0.30 -0.00 0.00 -0.94 0.00 0.00 39.48 38.42 3fxt n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fxt n GLY 54 N -0.82 0.41 4.02 1.37 0.00 -1.20 -4.65 105.19 104.32 3fxt n GLY 54 Ca 0.22 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 3fxt n GLY 54 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fxt s GLY 55 N -2.06 1.89 -0.09 -0.02 0.00 -1.26 -0.70 107.32 105.08 3fxt s GLY 55 Ca 0.00 -1.80 0.04 0.00 0.00 0.00 0.00 44.72 42.95 3fxt s GLY 55 CO 0.00 -1.55 -0.21 -0.42 0.00 0.00 0.00 173.10 170.92 3fxt s ILE 56 N -2.44 2.33 -0.15 0.90 -1.09 0.04 -0.26 121.20 120.53 3fxt s ILE 56 Ca 0.57 -0.94 -0.07 0.00 -2.23 0.00 0.00 60.65 57.98 3fxt s ILE 56 Cb -0.09 -1.90 -0.04 0.00 -1.58 0.00 0.00 42.46 38.85 3fxt s ILE 56 CO 0.35 0.56 0.09 -0.44 -1.23 0.00 0.00 174.94 174.26 3fxt s SER 57 N 0.18 5.89 -0.13 3.58 0.01 0.11 -1.02 113.70 122.32 3fxt s SER 57 Ca -0.12 0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.40 3fxt s SER 57 Cb -0.16 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.15 3fxt s SER 57 CO 0.07 0.29 -0.21 -0.69 0.41 0.00 0.00 173.24 173.11 3fxt s VAL 58 N -0.32 2.23 -0.22 3.43 1.01 -0.09 0.13 120.40 126.57 3fxt s VAL 58 Ca 0.10 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3fxt s VAL 58 Cb -0.12 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.42 3fxt s VAL 58 CO 0.01 0.55 -0.13 -0.13 0.00 0.00 0.00 175.10 175.40 3fxt s ARG 59 N 0.63 2.38 0.45 2.72 0.52 -1.26 -0.94 118.95 123.46 3fxt s ARG 59 Ca -0.11 -1.09 0.19 0.00 -0.52 0.00 0.00 55.73 54.20 3fxt s ARG 59 Cb -0.16 -2.69 1.08 0.00 0.52 0.00 0.00 34.95 33.69 3fxt s ARG 59 CO 0.02 -0.44 1.97 -0.07 0.02 0.00 0.00 175.30 176.80 3fxt h LEU 60 N 7.87 0.00 -2.24 2.53 -0.00 -1.61 -0.01 115.31 121.85 3fxt h LEU 60 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 3fxt h LEU 60 Cb 1.08 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.74 3fxt h LEU 60 CO 0.51 0.21 0.00 0.00 -0.00 0.00 0.00 178.44 179.17 3fxt h ALA 61 N 1.79 1.77 0.00 1.53 0.00 -1.84 -0.18 119.26 122.33 3fxt h ALA 61 Ca -0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 3fxt h ALA 61 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3fxt h ALA 61 CO 0.03 -0.00 -1.00 -2.13 0.00 0.00 0.00 179.25 176.14 3fxt n ARG 62 N -4.19 0.52 -0.17 0.00 0.63 -0.33 -3.78 116.66 109.34 3fxt n ARG 62 Ca -0.03 0.55 -0.01 0.00 -0.92 0.00 0.00 57.85 57.44 3fxt n ARG 62 Cb 0.09 -1.72 0.22 0.00 0.45 0.00 0.00 32.46 31.50 3fxt n ARG 62 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 3fxt h LEU 63 N -1.00 0.81 -5.98 6.15 5.85 -1.01 -3.31 115.31 116.82 3fxt h LEU 63 Ca -0.22 -0.09 -0.54 0.00 0.84 0.00 0.00 57.88 57.87 3fxt h LEU 63 Cb 1.00 -0.21 -0.40 0.00 0.37 0.00 0.00 40.66 41.43 3fxt h LEU 63 CO -0.13 0.70 -1.08 -0.67 -0.34 0.00 0.00 178.44 176.91 3fxt n ASP 64 N -4.34 0.87 0.23 1.25 4.64 -0.09 -4.96 116.55 114.15 3fxt n ASP 64 Ca 0.06 -2.90 0.06 0.00 -1.38 0.00 0.00 54.79 50.63 3fxt n ASP 64 Cb 0.14 -0.63 0.53 0.00 -1.04 0.00 0.00 41.12 40.12 3fxt n ASP 64 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3fxt h ALA 65 N 3.63 1.62 -0.02 -1.67 0.00 -1.66 -2.46 119.26 118.71 3fxt h ALA 65 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3fxt h ALA 65 Cb 0.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3fxt h ALA 65 CO 0.52 0.23 -0.03 1.28 0.00 0.00 0.00 179.25 181.24 3fxt n LEU 66 N -4.21 1.66 -3.31 0.00 4.77 -1.26 -4.96 117.00 109.68 3fxt n LEU 66 Ca -0.02 -0.55 -0.16 0.00 -0.03 0.00 0.00 56.01 55.25 3fxt n LEU 66 Cb 0.25 -0.01 0.08 0.00 -2.33 0.00 0.00 43.42 41.41 3fxt n LEU 66 CO 0.35 0.28 0.07 -0.67 -1.33 0.00 0.00 177.39 176.10 3fxt n ASP 67 N 0.25 -4.09 0.00 -1.43 2.03 -0.93 -4.95 116.55 107.43 3fxt n ASP 67 Ca 0.17 -0.65 0.00 0.00 0.52 0.00 0.00 54.79 54.83 3fxt n ASP 67 Cb 0.39 -5.09 0.00 0.00 -0.72 0.00 0.00 41.12 35.70 3fxt n ASP 67 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3fxt n ARG 68 N -3.68 0.14 -3.09 -0.67 1.74 -1.26 -5.06 116.66 104.78 3fxt n ARG 68 Ca -0.19 -0.29 -0.39 0.00 -0.77 0.00 0.00 57.85 56.21 3fxt n ARG 68 Cb 0.64 -0.76 -0.05 0.00 -1.02 0.00 0.00 32.46 31.27 3fxt n ARG 68 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3fxt s LEU 69 N -0.21 4.39 0.21 0.55 2.96 -1.26 -5.03 118.68 120.30 3fxt s LEU 69 Ca 0.00 1.24 -0.30 0.00 -0.22 0.00 0.00 54.13 54.85 3fxt s LEU 69 Cb 0.00 -3.06 -0.08 0.00 0.50 0.00 0.00 46.19 43.55 3fxt s LEU 69 CO 0.00 0.00 1.06 -0.62 -1.32 0.00 0.00 176.35 175.47 3fxt s ASP 70 N 0.19 7.36 0.23 3.68 2.15 -1.26 -4.95 116.67 124.07 3fxt s ASP 70 Ca 0.35 2.09 -0.07 0.00 0.43 0.00 0.00 52.55 55.35 3fxt s ASP 70 Cb -0.19 -2.61 0.27 0.00 -0.30 0.00 0.00 42.92 40.09 3fxt s ASP 70 CO 0.19 -0.11 1.86 0.00 -0.17 0.00 0.00 175.17 176.94 3fxt h ALA 71 N 4.58 1.09 -0.47 3.66 0.00 -1.96 -0.95 119.26 125.20 3fxt h ALA 71 Ca -0.45 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 3fxt h ALA 71 Cb 1.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3fxt h ALA 71 CO 0.70 0.29 -0.18 0.00 0.00 0.00 0.00 179.25 180.06 3fxt h ALA 72 N 1.36 0.79 -0.64 0.00 0.00 -1.94 -1.56 119.26 117.27 3fxt h ALA 72 Ca 0.34 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3fxt h ALA 72 Cb 0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3fxt h ALA 72 CO -0.14 0.66 0.11 0.00 0.00 0.00 0.00 179.25 179.88 3fxt h ALA 73 N 0.97 0.85 -0.19 0.00 0.00 -1.80 -1.76 119.26 117.33 3fxt h ALA 73 Ca 0.12 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3fxt h ALA 73 Cb 0.73 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3fxt h ALA 73 CO 0.06 0.61 0.08 0.35 0.00 0.00 0.00 179.25 180.36 3fxt h PHE 74 N 0.98 0.15 -0.25 0.00 3.57 -1.01 -1.71 116.94 118.68 3fxt h PHE 74 Ca 0.20 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.76 3fxt h PHE 74 Cb 0.43 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 3fxt h PHE 74 CO 0.03 0.08 -0.15 0.37 -2.23 0.00 0.00 178.31 176.41 3fxt h GLN 75 N 0.19 -0.13 -0.86 1.11 4.15 -1.01 0.35 115.11 118.90 3fxt h GLN 75 Ca 0.08 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 3fxt h GLN 75 Cb 0.03 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.71 3fxt h GLN 75 CO -0.07 -0.08 0.54 -0.22 -1.93 0.00 0.00 178.83 177.06 3fxt h LYS 76 N -0.13 1.16 -0.56 1.69 3.64 -1.16 -0.49 116.57 120.72 3fxt h LYS 76 Ca 0.14 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.31 3fxt h LYS 76 Cb 0.34 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3fxt h LYS 76 CO -0.33 0.80 -0.08 0.78 -2.27 0.00 0.00 179.45 178.34 3fxt h GLY 77 N 1.18 1.14 0.87 5.01 0.00 -0.53 -2.65 103.07 108.08 3fxt h GLY 77 Ca 0.31 -0.90 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 3fxt h GLY 77 CO -0.06 0.83 0.06 -2.00 0.00 0.00 0.00 176.54 175.36 3fxt h LEU 78 N 0.94 0.24 -0.17 3.11 5.85 0.18 -1.62 115.31 123.84 3fxt h LEU 78 Ca 0.15 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.73 3fxt h LEU 78 Cb 0.65 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 3fxt h LEU 78 CO 0.05 0.36 -0.37 -0.61 -0.34 0.00 0.00 178.44 177.53 3fxt h GLN 79 N 0.11 -0.40 -0.96 1.25 4.15 -1.05 -1.03 115.11 117.17 3fxt h GLN 79 Ca 0.06 0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.53 3fxt h GLN 79 Cb 0.20 0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.93 3fxt h GLN 79 CO -0.00 -0.27 0.63 0.00 -1.93 0.00 0.00 178.83 177.26 3fxt h ALA 80 N 0.33 1.25 -0.58 3.38 0.00 -1.41 -2.66 119.26 119.56 3fxt h ALA 80 Ca 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3fxt h ALA 80 Cb 0.58 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3fxt h ALA 80 CO -0.40 0.54 0.29 0.00 0.00 0.00 0.00 179.25 179.68 3fxt h ALA 81 N 1.38 0.75 -0.68 0.00 0.00 -0.61 -2.30 119.26 117.80 3fxt h ALA 81 Ca 0.37 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3fxt h ALA 81 Cb -0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3fxt h ALA 81 CO -0.11 0.30 0.35 0.28 0.00 0.00 0.00 179.25 180.08 3fxt h VAL 82 N 0.79 1.22 -0.33 0.00 2.07 -1.00 0.19 116.25 119.19 3fxt h VAL 82 Ca 0.20 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 67.21 3fxt h VAL 82 Cb 0.10 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.16 3fxt h VAL 82 CO -0.03 0.25 -0.14 -0.61 0.02 0.00 0.00 177.57 177.06 3fxt h GLN 83 N 0.94 -0.07 0.18 1.57 -0.00 -1.16 0.49 115.11 117.06 3fxt h GLN 83 Ca 0.24 0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.88 3fxt h GLN 83 Cb 0.08 0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.57 3fxt h GLN 83 CO -0.03 -0.05 -0.09 0.37 0.00 0.00 0.00 178.83 179.03 3fxt h GLN 84 N -0.08 -0.23 -0.66 1.69 5.75 -1.08 -0.83 115.11 119.67 3fxt h GLN 84 Ca 0.17 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.68 3fxt h GLN 84 Cb 0.33 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.90 3fxt h GLN 84 CO -0.38 -0.11 0.41 -1.49 -2.65 0.00 0.00 178.83 174.61 3fxt h TRP 85 N -0.29 0.86 -0.39 3.99 6.55 -0.22 -0.91 115.95 125.54 3fxt h TRP 85 Ca -0.02 0.00 0.05 0.00 0.95 0.00 0.00 58.89 59.86 3fxt h TRP 85 Cb 0.23 -0.29 -0.04 0.00 -0.86 0.00 0.00 29.16 28.20 3fxt h TRP 85 CO -0.05 0.58 0.14 0.00 -1.05 0.00 0.00 178.44 178.06 3fxt h ARG 86 N 0.90 0.30 -0.09 0.49 3.08 0.11 -1.85 114.38 117.32 3fxt h ARG 86 Ca 0.24 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.22 3fxt h ARG 86 Cb -0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3fxt h ARG 86 CO -0.05 0.20 -0.19 0.66 -1.07 0.00 0.00 179.97 179.52 3fxt h SER 87 N 0.31 0.14 -0.47 7.04 4.64 -0.51 -1.51 113.55 123.18 3fxt h SER 87 Ca 0.18 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3fxt h SER 87 Cb 0.16 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3fxt h SER 87 CO -0.18 0.35 0.00 -1.84 -0.87 0.00 0.00 176.83 174.29 3fxt n GLU 88 N -4.25 3.13 -2.23 4.77 0.28 -0.41 -4.94 120.64 117.00 3fxt n GLU 88 Ca -0.01 -2.14 -0.13 0.00 -0.16 0.00 0.00 57.16 54.72 3fxt n GLU 88 Cb 0.29 -1.77 -0.01 0.00 1.43 0.00 0.00 31.44 31.38 3fxt n GLU 88 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3fxt n GLY 89 N 0.86 -0.13 3.79 -1.84 0.00 -0.57 -5.01 105.19 102.29 3fxt n GLY 89 Ca 0.19 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 3fxt n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fxt s ARG 90 N -4.61 2.55 -0.11 1.61 1.81 -0.74 -4.99 118.95 114.46 3fxt s ARG 90 Ca 0.00 1.12 -0.23 0.00 -1.72 0.00 0.00 55.73 54.89 3fxt s ARG 90 Cb 0.00 -1.93 -0.28 0.00 -0.45 0.00 0.00 34.95 32.29 3fxt s ARG 90 CO 0.00 -1.41 0.72 1.15 -0.68 0.00 0.00 175.30 175.08 3fxt h THR 91 N -0.86 1.47 -2.29 0.02 2.02 -1.18 -3.40 112.91 108.70 3fxt h THR 91 Ca -0.44 -2.41 0.17 0.00 0.77 0.00 0.00 66.41 64.50 3fxt h THR 91 Cb 1.22 3.09 -0.10 0.00 -1.74 0.00 0.00 68.15 70.63 3fxt h THR 91 CO 0.53 0.63 0.50 0.00 0.37 0.00 0.00 175.52 177.56 3fxt s ALA 92 N -2.35 -1.71 -0.06 6.16 0.00 -1.26 -1.08 121.76 121.46 3fxt s ALA 92 Ca -0.18 0.32 0.05 0.00 0.00 0.00 0.00 51.96 52.15 3fxt s ALA 92 Cb 0.01 0.59 -0.01 0.00 0.00 0.00 0.00 23.12 23.71 3fxt s ALA 92 CO 0.75 -0.98 -0.21 0.08 0.00 0.00 0.00 175.76 175.39 3fxt s VAL 93 N -3.22 1.78 -0.15 0.00 1.01 -0.23 -0.78 120.40 118.81 3fxt s VAL 93 Ca 0.11 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.20 3fxt s VAL 93 Cb -0.01 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 34.86 3fxt s VAL 93 CO -0.00 0.50 -0.18 0.26 0.00 0.00 0.00 175.10 175.67 3fxt s TRP 94 N -0.00 2.74 -0.27 5.22 0.52 -0.19 -1.52 118.94 125.44 3fxt s TRP 94 Ca -0.06 -1.25 -0.07 0.00 0.02 0.00 0.00 56.10 54.74 3fxt s TRP 94 Cb -0.13 -1.87 -0.01 0.00 -1.15 0.00 0.00 33.47 30.30 3fxt s TRP 94 CO 0.04 -0.58 0.08 -0.51 0.02 0.00 0.00 176.95 175.99 3fxt s LEU 95 N 0.90 3.63 -0.23 2.99 1.43 0.26 -0.91 118.68 126.76 3fxt s LEU 95 Ca -0.04 -0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 52.57 3fxt s LEU 95 Cb -0.15 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 3fxt s LEU 95 CO -0.03 -0.10 0.11 -1.00 0.23 0.00 0.00 176.35 175.56 3fxt s HIS 96 N 1.58 3.23 -0.19 0.29 3.76 -0.11 -0.34 115.29 123.50 3fxt s HIS 96 Ca 0.05 0.01 -0.03 0.00 -0.15 0.00 0.00 55.06 54.94 3fxt s HIS 96 Cb -0.16 -2.21 0.06 0.00 1.11 0.00 0.00 32.58 31.38 3fxt s HIS 96 CO 0.03 -0.03 0.05 0.42 -0.85 0.00 0.00 174.74 174.37 3fxt s ILE 97 N 1.02 0.38 0.60 0.60 1.01 -0.38 -1.34 121.20 123.09 3fxt s ILE 97 Ca 0.05 -0.47 -0.19 0.00 0.00 0.00 0.00 60.65 60.04 3fxt s ILE 97 Cb -0.14 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 3fxt s ILE 97 CO 0.04 -0.23 1.19 -2.65 0.00 0.00 0.00 174.94 173.29 3fxt n PRO 98 N 5.10 1.18 -0.22 2.79 -0.02 -1.26 -1.36 135.00 141.21 3fxt n PRO 98 Ca -0.08 0.45 -0.04 0.00 -2.02 0.00 0.00 63.50 61.81 3fxt n PRO 98 Cb 0.48 -2.41 0.06 0.00 -0.02 0.00 0.00 33.50 31.61 3fxt n PRO 98 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3fxt h ILE 99 N 0.75 1.08 0.00 4.25 2.10 -0.94 -0.12 117.51 124.63 3fxt h ILE 99 Ca -0.50 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.18 3fxt h ILE 99 Cb 1.34 0.24 0.00 0.00 -1.09 0.00 0.00 36.82 37.31 3fxt h ILE 99 CO 0.53 0.14 0.00 0.18 -1.08 0.00 0.00 178.15 177.92 3fxt n LEU 100 N -4.71 0.00 -1.63 2.19 4.77 -1.26 -1.82 117.00 114.54 3fxt n LEU 100 Ca 0.06 0.48 -0.12 0.00 -0.03 0.00 0.00 56.01 56.41 3fxt n LEU 100 Cb 0.08 -0.48 0.20 0.00 -2.33 0.00 0.00 43.42 40.90 3fxt n LEU 100 CO 0.33 -0.32 0.95 0.00 -1.33 0.00 0.00 177.39 177.02 3fxt n GLN 101 N -1.48 2.18 0.00 3.23 6.02 -0.06 -4.71 117.38 122.56 3fxt n GLN 101 Ca 0.03 -3.10 0.10 0.00 -0.01 0.00 0.00 57.00 54.02 3fxt n GLN 101 Cb 0.11 -1.99 0.53 0.00 1.02 0.00 0.00 30.24 29.91 3fxt n GLN 101 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3fxt n SER 102 N -1.04 0.00 0.30 1.08 7.64 -0.76 -2.60 113.62 118.23 3fxt n SER 102 Ca 0.44 -0.08 0.16 0.00 1.01 0.00 0.00 58.87 60.39 3fxt n SER 102 Cb 1.31 -0.25 0.80 0.00 -1.01 0.00 0.00 64.21 65.06 3fxt n SER 102 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 3fxt h ARG 103 N 0.00 0.00 -0.00 1.43 0.11 -1.87 -1.89 114.38 112.16 3fxt h ARG 103 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3fxt h ARG 103 Cb 0.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.25 3fxt h ARG 103 CO 0.00 0.00 -0.16 1.19 0.10 0.00 0.00 179.97 181.10 3fxt n PHE 104 N -3.03 0.00 0.06 4.08 3.72 -1.07 -4.37 117.46 116.85 3fxt n PHE 104 Ca -0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 3fxt n PHE 104 Cb 0.42 -0.40 -0.06 0.00 -0.94 0.00 0.00 39.48 38.51 3fxt n PHE 104 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 3fxt h ILE 105 N 0.04 0.59 -0.60 4.37 2.04 -1.60 -2.69 117.51 119.67 3fxt h ILE 105 Ca 0.00 -1.09 0.10 0.00 1.00 0.00 0.00 64.86 64.87 3fxt h ILE 105 Cb 0.48 1.03 -0.08 0.00 -0.74 0.00 0.00 36.82 37.52 3fxt h ILE 105 CO 0.00 0.17 0.20 0.00 0.00 0.00 0.00 178.15 178.51 3fxt h ALA 106 N -0.58 0.76 -0.82 1.87 0.00 -1.77 0.45 119.26 119.16 3fxt h ALA 106 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3fxt h ALA 106 Cb 0.45 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3fxt h ALA 106 CO 0.04 -0.23 0.52 -1.35 0.00 0.00 0.00 179.25 178.23 3fxt h PRO 107 N 0.36 1.10 -0.12 0.00 0.11 -1.78 -0.36 132.00 131.30 3fxt h PRO 107 Ca 0.31 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.33 3fxt h PRO 107 Cb 0.41 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 3fxt h PRO 107 CO -0.33 0.74 0.05 0.00 -0.21 0.00 0.00 178.00 178.25 3fxt h ALA 108 N 1.45 0.16 -0.98 -0.75 0.00 -0.48 -2.80 119.26 115.85 3fxt h ALA 108 Ca 0.30 -0.09 0.19 0.00 0.00 0.00 0.00 54.91 55.31 3fxt h ALA 108 Cb -0.09 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 17.54 3fxt h ALA 108 CO -0.06 -0.26 0.58 0.00 0.00 0.00 0.00 179.25 179.51 3fxt h ALA 109 N 0.91 1.61 0.00 0.00 0.00 0.23 0.18 119.26 122.19 3fxt h ALA 109 Ca 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3fxt h ALA 109 Cb 0.15 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3fxt h ALA 109 CO -0.00 -0.07 -0.05 0.66 0.00 0.00 0.00 179.25 179.79 3fxt h SER 110 N 0.73 0.00 -0.54 0.00 4.64 -0.81 -0.29 113.55 117.28 3fxt h SER 110 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 3fxt h SER 110 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 3fxt h SER 110 CO -0.39 0.05 0.00 0.18 -0.87 0.00 0.00 176.83 175.80 3fxt n LEU 111 N -3.57 3.07 0.00 5.97 4.77 0.02 -4.93 117.00 122.33 3fxt n LEU 111 Ca -0.02 -1.51 0.00 0.00 -0.03 0.00 0.00 56.01 54.45 3fxt n LEU 111 Cb 0.15 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 3fxt n LEU 111 CO 0.27 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 3fxt n GLY 112 N 1.42 0.63 3.78 -0.72 0.00 -0.12 -5.09 105.19 105.10 3fxt n GLY 112 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3fxt n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fxt s PHE 113 N -2.00 3.19 0.20 1.61 0.40 -1.04 -4.80 117.98 115.54 3fxt s PHE 113 Ca 0.00 1.62 0.03 0.00 -0.60 0.00 0.00 56.93 57.99 3fxt s PHE 113 Cb 0.00 -3.18 -0.05 0.00 0.51 0.00 0.00 43.02 40.30 3fxt s PHE 113 CO 0.00 -0.80 -0.03 0.00 0.70 0.00 0.00 175.22 175.09 3fxt s PHE 115 N -3.45 2.75 -0.26 0.00 0.08 -1.26 -0.35 117.98 115.49 3fxt s PHE 115 Ca 0.24 0.87 -0.06 0.00 0.12 0.00 0.00 56.93 58.10 3fxt s PHE 115 Cb 0.05 -4.04 -0.14 0.00 -0.57 0.00 0.00 43.02 38.32 3fxt s PHE 115 CO 0.05 -3.41 -0.29 1.58 -0.10 0.00 0.00 175.22 173.06 3fxt n HIS 116 N 1.91 0.00 -3.57 0.36 -0.00 -0.01 -4.76 115.22 109.15 3fxt n HIS 116 Ca 0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.64 3fxt n HIS 116 Cb 0.38 -0.97 -0.06 0.00 -0.00 0.00 0.00 29.99 29.34 3fxt n HIS 116 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 3fxt s HIS 117 N -2.50 -0.64 -0.20 1.57 5.65 -1.10 -5.01 115.29 113.06 3fxt s HIS 117 Ca -0.36 1.32 -0.05 0.00 0.25 0.00 0.00 55.06 56.22 3fxt s HIS 117 Cb 0.12 0.37 0.10 0.00 -1.18 0.00 0.00 32.58 31.98 3fxt s HIS 117 CO 0.53 -0.46 0.36 0.00 -0.65 0.00 0.00 174.74 174.51 3fxt s ALA 118 N -0.53 -0.93 -0.07 1.58 0.00 -1.26 0.42 121.76 120.96 3fxt s ALA 118 Ca -0.05 1.10 -0.09 0.00 0.00 0.00 0.00 51.96 52.92 3fxt s ALA 118 Cb -0.02 -1.36 0.02 0.00 0.00 0.00 0.00 23.12 21.76 3fxt s ALA 118 CO 0.04 -0.92 0.23 -2.00 0.00 0.00 0.00 175.76 173.12 3fxt s GLU 119 N 2.53 0.33 5.44 0.00 2.12 -0.90 -5.00 118.70 123.21 3fxt s GLU 119 Ca 0.04 0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.57 3fxt s GLU 119 Cb -0.13 0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.41 3fxt s GLU 119 CO -0.13 -0.05 0.00 0.45 -0.54 0.00 0.00 175.26 174.99 3fxt n SER 120 N 2.64 0.00 -0.58 -1.70 2.88 -1.26 -2.84 113.62 112.77 3fxt n SER 120 Ca -0.15 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.48 3fxt n SER 120 Cb 0.58 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.24 3fxt n SER 120 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3fxt n ASP 121 N 10.45 3.24 -3.62 -3.46 5.75 -1.26 -4.95 116.55 122.70 3fxt n ASP 121 Ca 0.00 -2.87 -0.10 0.00 -0.01 0.00 0.00 54.79 51.80 3fxt n ASP 121 Cb 0.00 -0.45 -0.04 0.00 -1.03 0.00 0.00 41.12 39.61 3fxt n ASP 121 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3fxt s SER 122 N -2.05 -0.31 0.05 -1.12 1.04 -1.13 -0.22 113.70 109.97 3fxt s SER 122 Ca 0.35 -0.31 -0.01 0.00 0.48 0.00 0.00 55.95 56.46 3fxt s SER 122 Cb 0.28 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.89 3fxt s SER 122 CO 0.07 -0.94 -0.03 -0.94 0.98 0.00 0.00 173.24 172.38 3fxt s SER 123 N -2.82 0.54 -0.04 7.02 1.04 -0.46 -2.12 113.70 116.85 3fxt s SER 123 Ca 0.05 -0.99 0.04 0.00 0.48 0.00 0.00 55.95 55.52 3fxt s SER 123 Cb 0.00 0.19 -0.00 0.00 0.10 0.00 0.00 66.02 66.31 3fxt s SER 123 CO -0.09 -0.58 -0.15 -0.89 0.98 0.00 0.00 173.24 172.51 3fxt s THR 124 N -3.84 1.25 0.27 2.02 2.01 0.17 -1.25 115.64 116.27 3fxt s THR 124 Ca 0.07 -0.62 0.12 0.00 0.31 0.00 0.00 61.69 61.57 3fxt s THR 124 Cb 0.07 -1.08 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 3fxt s THR 124 CO -0.09 0.37 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.26 3fxt s LEU 125 N 0.08 2.64 0.01 4.42 1.43 0.54 -0.83 118.68 126.98 3fxt s LEU 125 Ca -0.04 -0.98 -0.07 0.00 -1.03 0.00 0.00 54.13 52.02 3fxt s LEU 125 Cb -0.11 -1.17 -0.00 0.00 0.03 0.00 0.00 46.19 44.95 3fxt s LEU 125 CO 0.02 0.04 0.12 0.28 0.23 0.00 0.00 176.35 177.04 3fxt s THR 126 N -2.43 0.09 -0.13 5.49 -1.32 0.52 -0.57 115.64 117.29 3fxt s THR 126 Ca 0.29 -0.75 -0.04 0.00 -1.21 0.00 0.00 61.69 59.98 3fxt s THR 126 Cb -0.05 -0.47 0.05 0.00 -1.51 0.00 0.00 72.50 70.52 3fxt s THR 126 CO 0.15 -0.41 0.09 -0.22 -2.21 0.00 0.00 174.62 172.02 3fxt s LEU 127 N -1.48 0.25 -0.01 9.08 2.96 -0.58 -2.03 118.68 126.87 3fxt s LEU 127 Ca -0.14 -0.37 -0.30 0.00 -0.22 0.00 0.00 54.13 53.10 3fxt s LEU 127 Cb -0.07 -0.17 -0.03 0.00 0.50 0.00 0.00 46.19 46.42 3fxt s LEU 127 CO 0.01 -0.32 0.99 0.86 -1.32 0.00 0.00 176.35 176.56 3fxt s TRP 128 N 2.16 3.64 -0.09 5.38 -0.11 -1.26 -1.06 118.94 127.59 3fxt s TRP 128 Ca 0.03 1.68 0.19 0.00 1.22 0.00 0.00 56.10 59.22 3fxt s TRP 128 Cb -0.15 -3.13 -0.28 0.00 -1.50 0.00 0.00 33.47 28.41 3fxt s TRP 128 CO -0.07 -0.05 0.29 1.28 -4.62 0.00 0.00 176.95 173.77 3fxt n LEU 129 N 4.04 0.00 -4.61 5.86 4.77 -0.24 -4.89 117.00 121.92 3fxt n LEU 129 Ca 0.06 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.61 3fxt n LEU 129 Cb 0.51 0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.77 3fxt n LEU 129 CO 0.52 0.19 1.22 -0.13 -1.33 0.00 0.00 177.39 177.86 3fxt s ARG 130 N -3.01 3.70 0.00 3.23 1.81 -1.16 -5.01 118.95 118.52 3fxt s ARG 130 Ca -0.08 1.12 0.22 0.00 -1.72 0.00 0.00 55.73 55.27 3fxt s ARG 130 Cb 0.10 -3.98 0.17 0.00 -0.45 0.00 0.00 34.95 30.79 3fxt s ARG 130 CO 0.81 -1.40 1.18 -1.91 -0.68 0.00 0.00 175.30 173.30