#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fxt n MET 44 N 0.00 2.62 -2.58 4.33 1.56 -1.26 -4.95 117.12 116.83 3fxt n MET 44 Ca 0.00 0.95 -0.43 0.00 -0.27 0.00 0.00 57.70 57.95 3fxt n MET 44 Cb 0.00 -2.82 -0.02 0.00 2.15 0.00 0.00 33.22 32.53 3fxt n MET 44 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 3fxt s ASP 45 N 2.49 6.90 0.00 6.12 2.15 -1.26 -4.87 116.67 128.20 3fxt s ASP 45 Ca 0.82 1.18 0.29 0.00 0.43 0.00 0.00 52.55 55.27 3fxt s ASP 45 Cb -0.54 -2.54 1.36 0.00 -0.30 0.00 0.00 42.92 40.90 3fxt s ASP 45 CO 0.39 -0.88 1.93 0.18 -0.17 0.00 0.00 175.17 176.61 3fxt n LEU 46 N 6.92 0.65 -3.63 -1.34 4.77 -1.26 -4.94 117.00 118.16 3fxt n LEU 46 Ca 0.13 -0.15 -0.21 0.00 -0.03 0.00 0.00 56.01 55.74 3fxt n LEU 46 Cb 0.47 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.54 3fxt n LEU 46 CO 0.59 0.11 0.05 0.00 -1.33 0.00 0.00 177.39 176.81 3fxt n GLN 47 N -0.63 -5.91 -2.15 3.23 6.02 -1.26 -4.76 117.38 111.91 3fxt n GLN 47 Ca 0.18 0.71 -0.39 0.00 -0.01 0.00 0.00 57.00 57.50 3fxt n GLN 47 Cb 0.25 -5.52 -0.01 0.00 1.02 0.00 0.00 30.24 25.98 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 -4.09 2.88 -0.26 1.08 0.00 -1.26 -4.77 107.32 100.90 3fxt s GLY 48 Ca 0.16 1.09 -0.09 0.00 0.00 0.00 0.00 44.72 45.89 3fxt s GLY 48 CO 0.78 1.63 0.13 -0.54 0.00 0.00 0.00 173.10 175.09 3fxt s GLU 49 N -2.38 3.83 0.23 2.90 2.02 0.37 -4.88 118.70 120.78 3fxt s GLU 49 Ca 0.59 -0.39 -0.30 0.00 0.02 0.00 0.00 54.97 54.90 3fxt s GLU 49 Cb -0.34 -3.47 -0.09 0.00 0.10 0.00 0.00 34.13 30.33 3fxt s GLU 49 CO 0.43 -0.13 1.00 -1.17 0.02 0.00 0.00 175.26 175.41 3fxt s LEU 50 N 1.54 4.59 0.41 1.80 2.96 -1.26 -0.61 118.68 128.11 3fxt s LEU 50 Ca 0.06 2.03 0.08 0.00 -0.22 0.00 0.00 54.13 56.08 3fxt s LEU 50 Cb -0.15 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.90 3fxt s LEU 50 CO 0.07 0.01 0.31 1.51 -1.32 0.00 0.00 176.35 176.93 3fxt s ASP 51 N -0.85 4.86 0.44 3.68 1.47 0.36 -4.98 116.67 121.65 3fxt s ASP 51 Ca 0.43 -0.84 0.30 0.00 1.18 0.00 0.00 52.55 53.63 3fxt s ASP 51 Cb -0.28 -0.56 1.44 0.00 -0.34 0.00 0.00 42.92 43.19 3fxt s ASP 51 CO 0.34 -0.60 1.91 0.08 0.68 0.00 0.00 175.17 177.58 3fxt h ARG 52 N 1.16 0.00 -0.64 2.11 0.11 -1.98 -2.18 114.38 112.96 3fxt h ARG 52 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 3fxt h ARG 52 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 3fxt h ARG 52 CO 0.61 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.87 3fxt n PHE 53 N -2.65 1.54 -0.97 4.08 3.72 -1.26 -4.91 117.46 117.01 3fxt n PHE 53 Ca -0.00 -0.56 0.00 0.00 -0.05 0.00 0.00 57.45 56.83 3fxt n PHE 53 Cb 0.17 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 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 0.78 0.49 3.88 1.37 0.00 -0.82 -4.65 105.19 106.23 3fxt n GLY 54 Ca 0.23 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.23 2.27 -0.13 -0.02 0.00 -1.26 0.02 107.32 105.97 3fxt s GLY 55 Ca 0.00 -0.40 0.01 0.00 0.00 0.00 0.00 44.72 44.33 3fxt s GLY 55 CO 0.00 -0.27 -0.15 -0.42 0.00 0.00 0.00 173.10 172.26 3fxt s ILE 56 N -1.71 2.82 -0.13 0.90 -1.09 0.08 -0.49 121.20 121.59 3fxt s ILE 56 Ca 0.43 -0.74 -0.02 0.00 -2.23 0.00 0.00 60.65 58.10 3fxt s ILE 56 Cb -0.12 -2.18 -0.02 0.00 -1.58 0.00 0.00 42.46 38.56 3fxt s ILE 56 CO 0.22 0.53 -0.08 -0.44 -1.23 0.00 0.00 174.94 173.94 3fxt s SER 57 N 0.46 4.47 -0.19 3.58 0.01 0.22 -0.09 113.70 122.17 3fxt s SER 57 Ca -0.11 -0.19 0.01 0.00 1.31 0.00 0.00 55.95 56.98 3fxt s SER 57 Cb -0.16 -1.61 0.02 0.00 0.21 0.00 0.00 66.02 64.49 3fxt s SER 57 CO 0.05 0.20 -0.19 -0.69 0.41 0.00 0.00 173.24 173.02 3fxt s VAL 58 N 0.15 2.06 -0.28 3.43 1.01 0.75 -0.48 120.40 127.04 3fxt s VAL 58 Ca -0.04 -1.00 -0.09 0.00 0.00 0.00 0.00 61.98 60.85 3fxt s VAL 58 Cb -0.14 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 3fxt s VAL 58 CO 0.04 0.48 0.13 -0.13 0.00 0.00 0.00 175.10 175.62 3fxt s ARG 59 N 1.28 3.60 0.42 2.72 0.52 -1.26 -0.89 118.95 125.33 3fxt s ARG 59 Ca 0.04 -0.54 0.22 0.00 -0.52 0.00 0.00 55.73 54.93 3fxt s ARG 59 Cb -0.14 -3.50 0.84 0.00 0.52 0.00 0.00 34.95 32.67 3fxt s ARG 59 CO -0.12 -0.28 1.79 -0.07 0.02 0.00 0.00 175.30 176.64 3fxt h LEU 60 N 8.31 0.00 -2.14 2.53 -0.00 -1.64 0.97 115.31 123.34 3fxt h LEU 60 Ca -0.35 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.52 3fxt h LEU 60 Cb 1.17 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.83 3fxt h LEU 60 CO 0.59 0.27 -0.02 0.00 -0.00 0.00 0.00 178.44 179.27 3fxt h ALA 61 N 1.73 1.05 0.00 1.53 0.00 -1.83 -0.69 119.26 121.05 3fxt h ALA 61 Ca -0.00 -0.02 -0.39 0.00 0.00 0.00 0.00 54.91 54.50 3fxt h ALA 61 Cb 0.80 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 3fxt h ALA 61 CO 0.03 0.03 -2.37 0.54 0.00 0.00 0.00 179.25 177.48 3fxt n ARG 62 N -3.19 0.56 -0.18 0.00 1.74 -0.73 -3.61 116.66 111.26 3fxt n ARG 62 Ca -0.01 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 3fxt n ARG 62 Cb 0.20 -1.44 0.25 0.00 -1.02 0.00 0.00 32.46 30.45 3fxt n ARG 62 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3fxt h LEU 63 N -0.40 0.81 -5.99 0.55 5.85 -0.87 -3.33 115.31 111.94 3fxt h LEU 63 Ca -0.58 -0.05 -0.54 0.00 0.84 0.00 0.00 57.88 57.55 3fxt h LEU 63 Cb 1.70 -0.21 -0.40 0.00 0.37 0.00 0.00 40.66 42.13 3fxt h LEU 63 CO -0.22 0.64 -1.07 -0.67 -0.34 0.00 0.00 178.44 176.78 3fxt n ASP 64 N -4.39 0.86 0.03 1.25 4.64 -0.27 -4.96 116.55 113.71 3fxt n ASP 64 Ca 0.07 -2.89 0.01 0.00 -1.38 0.00 0.00 54.79 50.60 3fxt n ASP 64 Cb 0.08 -0.63 0.35 0.00 -1.04 0.00 0.00 41.12 39.87 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 3.71 1.48 -0.02 -1.67 0.00 -1.68 -2.43 119.26 118.65 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 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3fxt h ALA 65 CO 0.52 0.38 0.00 1.28 0.00 0.00 0.00 179.25 181.43 3fxt n LEU 66 N -4.33 1.54 -3.47 0.00 4.77 -1.26 -4.95 117.00 109.29 3fxt n LEU 66 Ca 0.01 -0.52 -0.19 0.00 -0.03 0.00 0.00 56.01 55.28 3fxt n LEU 66 Cb 0.21 -0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.38 3fxt n LEU 66 CO 0.38 0.26 0.16 -0.67 -1.33 0.00 0.00 177.39 176.19 3fxt n ASP 67 N 0.20 -3.65 -0.29 -1.43 2.03 -0.92 -4.93 116.55 107.57 3fxt n ASP 67 Ca 0.19 -0.59 0.03 0.00 0.52 0.00 0.00 54.79 54.95 3fxt n ASP 67 Cb 0.36 -5.06 0.04 0.00 -0.72 0.00 0.00 41.12 35.73 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 -4.44 0.53 -3.15 -0.67 1.74 -1.26 -5.04 116.66 104.37 3fxt n ARG 68 Ca -0.18 -1.08 -0.39 0.00 -0.77 0.00 0.00 57.85 55.43 3fxt n ARG 68 Cb 0.63 -1.13 -0.06 0.00 -1.02 0.00 0.00 32.46 30.88 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 -0.64 4.45 0.15 0.55 2.96 -1.26 -5.04 118.68 119.85 3fxt s LEU 69 Ca 0.09 1.27 -0.30 0.00 -0.22 0.00 0.00 54.13 54.97 3fxt s LEU 69 Cb 0.06 -3.01 -0.07 0.00 0.50 0.00 0.00 46.19 43.67 3fxt s LEU 69 CO 0.08 0.12 1.00 -0.62 -1.32 0.00 0.00 176.35 175.61 3fxt s ASP 70 N -0.37 7.46 0.22 3.68 2.15 -1.26 -4.97 116.67 123.57 3fxt s ASP 70 Ca 0.33 1.90 -0.08 0.00 0.43 0.00 0.00 52.55 55.12 3fxt s ASP 70 Cb -0.19 -2.60 0.25 0.00 -0.30 0.00 0.00 42.92 40.08 3fxt s ASP 70 CO 0.19 -0.08 1.84 0.00 -0.17 0.00 0.00 175.17 176.95 3fxt h ALA 71 N 5.23 0.99 -0.08 3.66 0.00 -1.96 -0.45 119.26 126.64 3fxt h ALA 71 Ca -0.44 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 3fxt h ALA 71 Cb 1.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3fxt h ALA 71 CO 0.71 0.18 -0.55 0.00 0.00 0.00 0.00 179.25 179.60 3fxt h ALA 72 N 1.35 0.92 -0.50 0.00 0.00 -1.94 0.18 119.26 119.27 3fxt h ALA 72 Ca 0.32 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 3fxt h ALA 72 Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3fxt h ALA 72 CO -0.15 0.69 -0.12 0.00 0.00 0.00 0.00 179.25 179.66 3fxt h ALA 73 N 1.24 0.69 0.04 0.00 0.00 -1.82 -1.62 119.26 117.78 3fxt h ALA 73 Ca 0.00 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3fxt h ALA 73 Cb 1.03 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3fxt h ALA 73 CO 0.09 0.61 -0.02 0.35 0.00 0.00 0.00 179.25 180.28 3fxt h PHE 74 N 0.83 -0.05 -0.65 0.00 3.57 -0.79 -2.25 116.94 117.61 3fxt h PHE 74 Ca 0.13 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.76 3fxt h PHE 74 Cb 0.69 0.01 -0.10 0.00 2.79 0.00 0.00 35.95 39.34 3fxt h PHE 74 CO 0.05 0.04 0.11 0.37 -2.23 0.00 0.00 178.31 176.65 3fxt h GLN 75 N -0.12 0.22 -0.61 1.11 -0.00 -0.48 0.22 115.11 115.44 3fxt h GLN 75 Ca -0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 58.55 3fxt h GLN 75 Cb 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.51 3fxt h GLN 75 CO 0.01 0.15 0.08 -0.22 0.00 0.00 0.00 178.83 178.85 3fxt h LYS 76 N 0.23 1.03 -0.30 1.69 3.64 -1.22 0.55 116.57 122.19 3fxt h LYS 76 Ca 0.35 -0.29 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3fxt h LYS 76 Cb 0.55 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3fxt h LYS 76 CO -0.47 0.97 -0.02 0.78 -2.27 0.00 0.00 179.45 178.44 3fxt h GLY 77 N 0.94 0.59 1.00 5.01 0.00 -0.67 -2.59 103.07 107.35 3fxt h GLY 77 Ca 0.18 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3fxt h GLY 77 CO 0.02 0.42 0.44 -2.00 0.00 0.00 0.00 176.54 175.41 3fxt h LEU 78 N 0.33 0.83 -0.13 3.11 5.85 -0.41 0.91 115.31 125.80 3fxt h LEU 78 Ca 0.08 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3fxt h LEU 78 Cb 0.48 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3fxt h LEU 78 CO 0.02 0.63 0.08 -0.61 -0.34 0.00 0.00 178.44 178.22 3fxt h GLN 79 N 0.96 0.16 -0.67 1.25 4.15 -0.84 0.62 115.11 120.74 3fxt h GLN 79 Ca 0.25 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.67 3fxt h GLN 79 Cb -0.06 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 3fxt h GLN 79 CO -0.05 0.11 0.42 0.00 -1.93 0.00 0.00 178.83 177.37 3fxt h ALA 80 N 1.06 0.85 -0.34 3.38 0.00 -1.20 -2.23 119.26 120.78 3fxt h ALA 80 Ca 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3fxt h ALA 80 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3fxt h ALA 80 CO -0.02 0.31 0.11 0.00 0.00 0.00 0.00 179.25 179.65 3fxt h ALA 81 N 1.22 0.44 -0.84 0.00 0.00 -0.38 -0.64 119.26 119.06 3fxt h ALA 81 Ca 0.24 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3fxt h ALA 81 Cb -0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3fxt h ALA 81 CO -0.05 0.07 0.54 0.28 0.00 0.00 0.00 179.25 180.09 3fxt h VAL 82 N 0.39 1.16 0.44 0.00 2.07 -0.82 0.27 116.25 119.77 3fxt h VAL 82 Ca 0.11 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3fxt h VAL 82 Cb 0.23 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 3fxt h VAL 82 CO -0.00 0.20 -0.40 -0.61 0.02 0.00 0.00 177.57 176.78 3fxt h GLN 83 N 1.08 -0.81 -0.54 1.57 4.15 -1.11 -0.27 115.11 119.18 3fxt h GLN 83 Ca 0.32 0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.87 3fxt h GLN 83 Cb -0.04 0.18 -0.06 0.00 0.21 0.00 0.00 27.48 27.77 3fxt h GLN 83 CO -0.10 -0.54 0.22 0.37 -1.93 0.00 0.00 178.83 176.86 3fxt h GLN 84 N -0.84 0.41 -0.15 1.69 4.15 -0.64 -2.54 115.11 117.19 3fxt h GLN 84 Ca -0.04 -0.02 -0.13 0.00 0.77 0.00 0.00 58.65 59.22 3fxt h GLN 84 Cb 0.74 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 3fxt h GLN 84 CO -0.04 0.27 -0.47 -1.49 -1.93 0.00 0.00 178.83 175.17 3fxt h TRP 85 N 0.42 0.46 -0.22 3.99 6.55 -0.34 -2.84 115.95 123.97 3fxt h TRP 85 Ca 0.26 -0.14 0.01 0.00 0.95 0.00 0.00 58.89 59.97 3fxt h TRP 85 Cb 0.26 -0.09 -0.02 0.00 -0.86 0.00 0.00 29.16 28.44 3fxt h TRP 85 CO -0.14 0.79 0.11 0.00 -1.05 0.00 0.00 178.44 178.14 3fxt h ARG 86 N 0.31 0.22 0.00 0.49 3.08 -0.69 -1.50 114.38 116.29 3fxt h ARG 86 Ca 0.02 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3fxt h ARG 86 Cb 0.95 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 3fxt h ARG 86 CO 0.08 0.15 -0.24 0.66 -1.07 0.00 0.00 179.97 179.55 3fxt h SER 87 N 0.23 0.00 -0.59 7.04 4.64 -1.32 -2.21 113.55 121.34 3fxt h SER 87 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3fxt h SER 87 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3fxt h SER 87 CO -0.07 0.24 0.00 -1.84 -0.87 0.00 0.00 176.83 174.29 3fxt n GLU 88 N -3.50 2.83 -1.52 4.77 0.28 -1.08 -4.95 120.64 117.46 3fxt n GLU 88 Ca -0.00 -2.32 -0.07 0.00 -0.16 0.00 0.00 57.16 54.61 3fxt n GLU 88 Cb 0.40 -1.62 -0.02 0.00 1.43 0.00 0.00 31.44 31.62 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 1.28 0.63 3.70 -1.84 0.00 -0.83 -5.02 105.19 103.11 3fxt n GLY 89 Ca 0.21 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.19 1.47 -0.21 1.61 1.81 -0.58 -4.97 118.95 114.89 3fxt s ARG 90 Ca 0.00 1.53 0.01 0.00 -1.72 0.00 0.00 55.73 55.56 3fxt s ARG 90 Cb 0.00 -1.78 -0.20 0.00 -0.45 0.00 0.00 34.95 32.52 3fxt s ARG 90 CO 0.00 -2.30 -0.02 2.41 -0.68 0.00 0.00 175.30 174.72 3fxt n THR 91 N -3.79 1.57 -3.46 0.02 -1.04 0.10 -4.65 114.28 103.03 3fxt n THR 91 Ca 0.12 -0.62 -0.11 0.00 -2.04 0.00 0.00 64.05 61.39 3fxt n THR 91 Cb 0.52 -1.41 -0.02 0.00 -1.82 0.00 0.00 70.33 67.59 3fxt n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fxt s ALA 92 N -2.53 -1.71 -0.08 2.41 0.00 -1.25 -1.82 121.76 116.79 3fxt s ALA 92 Ca -0.29 0.77 0.03 0.00 0.00 0.00 0.00 51.96 52.48 3fxt s ALA 92 Cb 0.08 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.82 3fxt s ALA 92 CO 0.67 -0.70 -0.18 0.08 0.00 0.00 0.00 175.76 175.63 3fxt s VAL 93 N -3.29 1.54 -0.11 0.00 1.01 0.07 -0.74 120.40 118.88 3fxt s VAL 93 Ca 0.02 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 3fxt s VAL 93 Cb -0.01 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 3fxt s VAL 93 CO -0.10 0.45 -0.10 0.26 0.00 0.00 0.00 175.10 175.60 3fxt s TRP 94 N 0.47 2.86 -0.16 5.22 0.52 0.87 -1.42 118.94 127.30 3fxt s TRP 94 Ca -0.15 -0.38 0.02 0.00 0.02 0.00 0.00 56.10 55.60 3fxt s TRP 94 Cb -0.16 -1.81 0.02 0.00 -1.15 0.00 0.00 33.47 30.36 3fxt s TRP 94 CO 0.06 -0.02 -0.20 -0.51 0.02 0.00 0.00 176.95 176.30 3fxt s LEU 95 N -0.01 2.06 -0.27 2.99 1.43 -0.13 -0.18 118.68 124.57 3fxt s LEU 95 Ca -0.02 -0.60 -0.07 0.00 -1.03 0.00 0.00 54.13 52.41 3fxt s LEU 95 Cb -0.14 -1.41 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 3fxt s LEU 95 CO 0.04 0.03 0.06 -1.00 0.23 0.00 0.00 176.35 175.71 3fxt s HIS 96 N 1.08 3.10 -0.24 0.29 3.76 -0.07 -0.77 115.29 122.45 3fxt s HIS 96 Ca -0.01 -0.72 0.01 0.00 -0.15 0.00 0.00 55.06 54.19 3fxt s HIS 96 Cb -0.14 -2.24 0.06 0.00 1.11 0.00 0.00 32.58 31.37 3fxt s HIS 96 CO -0.07 -0.48 -0.04 0.42 -0.85 0.00 0.00 174.74 173.72 3fxt s ILE 97 N 1.55 1.47 0.57 0.60 1.01 -0.11 -1.43 121.20 124.87 3fxt s ILE 97 Ca 0.05 -1.21 -0.21 0.00 0.00 0.00 0.00 60.65 59.28 3fxt s ILE 97 Cb -0.16 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 3fxt s ILE 97 CO 0.02 -0.13 1.34 -2.84 0.00 0.00 0.00 174.94 173.34 3fxt s PRO 98 N 1.42 2.97 0.26 2.79 0.02 -1.26 -1.39 135.00 139.81 3fxt s PRO 98 Ca -0.05 2.19 -0.03 0.00 0.02 0.00 0.00 61.00 63.13 3fxt s PRO 98 Cb -0.19 -2.14 0.41 0.00 0.02 0.00 0.00 34.50 32.60 3fxt s PRO 98 CO -0.07 -1.31 1.86 0.97 -0.33 0.00 0.00 177.00 178.13 3fxt h ILE 99 N 1.20 1.04 0.00 2.83 2.10 -1.52 -0.69 117.51 122.46 3fxt h ILE 99 Ca -0.51 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 65.07 3fxt h ILE 99 Cb 1.31 -0.12 0.00 0.00 -1.09 0.00 0.00 36.82 36.92 3fxt h ILE 99 CO 0.56 0.19 0.00 -0.07 -1.08 0.00 0.00 178.15 177.75 3fxt h LEU 100 N 1.06 0.00 -3.66 2.19 3.38 -1.90 -1.80 115.31 114.58 3fxt h LEU 100 Ca 0.42 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.21 3fxt h LEU 100 Cb 0.23 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.87 3fxt h LEU 100 CO -0.19 0.00 0.21 0.00 0.09 0.00 0.00 178.44 178.54 3fxt n GLN 101 N -2.46 3.59 0.00 1.13 6.02 -0.27 -4.65 117.38 120.74 3fxt n GLN 101 Ca 0.01 -3.08 0.03 0.00 -0.01 0.00 0.00 57.00 53.95 3fxt n GLN 101 Cb 0.21 -2.16 0.18 0.00 1.02 0.00 0.00 30.24 29.49 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 -0.22 0.00 0.33 1.08 7.64 -0.68 -2.29 113.62 119.48 3fxt n SER 102 Ca 0.38 0.20 0.22 0.00 1.01 0.00 0.00 58.87 60.68 3fxt n SER 102 Cb 1.31 -0.30 1.18 0.00 -1.01 0.00 0.00 64.21 65.39 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 -1.86 -1.45 114.38 112.61 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 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 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 -3.02 0.00 0.25 4.08 3.72 -0.97 -4.27 117.46 117.25 3fxt n PHE 104 Ca -0.03 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.25 3fxt n PHE 104 Cb 0.07 -0.36 -0.06 0.00 -0.94 0.00 0.00 39.48 38.19 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 0.11 0.21 -0.20 4.37 2.04 -1.50 -2.99 117.51 119.55 3fxt h ILE 105 Ca 0.00 -0.50 0.05 0.00 1.00 0.00 0.00 64.86 65.40 3fxt h ILE 105 Cb 0.46 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 3fxt h ILE 105 CO 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 178.15 178.09 3fxt h ALA 106 N -0.94 0.07 -0.89 1.87 0.00 -1.75 0.88 119.26 118.50 3fxt h ALA 106 Ca -0.07 0.08 0.19 0.00 0.00 0.00 0.00 54.91 55.11 3fxt h ALA 106 Cb 0.58 0.24 -0.11 0.00 0.00 0.00 0.00 17.79 18.50 3fxt h ALA 106 CO 0.11 -0.52 0.44 -1.35 0.00 0.00 0.00 179.25 177.93 3fxt h PRO 107 N -0.08 0.51 -0.46 0.00 0.11 -1.77 -1.14 132.00 129.17 3fxt h PRO 107 Ca 0.11 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.08 3fxt h PRO 107 Cb 0.24 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 3fxt h PRO 107 CO -0.25 0.34 -0.14 0.00 -0.21 0.00 0.00 178.00 177.73 3fxt h ALA 108 N 1.64 0.64 -0.96 -0.75 0.00 -1.00 -2.94 119.26 115.89 3fxt h ALA 108 Ca 0.52 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 55.15 3fxt h ALA 108 Cb 0.88 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 3fxt h ALA 108 CO -0.44 0.57 0.62 0.00 0.00 0.00 0.00 179.25 180.00 3fxt h ALA 109 N 0.87 1.46 0.00 0.00 0.00 0.13 -0.02 119.26 121.69 3fxt h ALA 109 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3fxt h ALA 109 Cb 0.70 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3fxt h ALA 109 CO 0.05 0.39 0.00 0.66 0.00 0.00 0.00 179.25 180.35 3fxt h SER 110 N 1.10 0.00 -0.14 0.00 4.64 -1.07 0.65 113.55 118.73 3fxt h SER 110 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 3fxt h SER 110 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3fxt h SER 110 CO -0.17 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.97 3fxt n LEU 111 N -2.63 2.69 0.00 5.97 4.77 -0.08 -4.96 117.00 122.76 3fxt n LEU 111 Ca -0.00 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 3fxt n LEU 111 Cb 0.17 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3fxt n LEU 111 CO 0.19 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3fxt n GLY 112 N 1.33 0.70 3.77 -0.72 0.00 0.22 -5.10 105.19 105.39 3fxt n GLY 112 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 2.96 0.19 1.61 0.40 -0.84 -4.78 117.98 115.53 3fxt s PHE 113 Ca 0.00 1.52 0.08 0.00 -0.60 0.00 0.00 56.93 57.93 3fxt s PHE 113 Cb 0.00 -3.46 -0.05 0.00 0.51 0.00 0.00 43.02 40.03 3fxt s PHE 113 CO 0.00 -1.55 -0.15 0.00 0.70 0.00 0.00 175.22 174.22 3fxt s PHE 115 N -2.73 2.97 -0.25 0.00 0.08 -1.26 -0.62 117.98 116.16 3fxt s PHE 115 Ca 0.21 1.13 -0.11 0.00 0.12 0.00 0.00 56.93 58.28 3fxt s PHE 115 Cb -0.02 -3.82 -0.11 0.00 -0.57 0.00 0.00 43.02 38.50 3fxt s PHE 115 CO 0.07 -2.53 -0.31 1.58 -0.10 0.00 0.00 175.22 173.93 3fxt n HIS 116 N 1.72 0.00 -3.56 0.36 -0.00 0.99 -4.79 115.22 109.94 3fxt n HIS 116 Ca 0.04 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.60 3fxt n HIS 116 Cb 0.40 -0.90 -0.06 0.00 -0.00 0.00 0.00 29.99 29.43 3fxt n HIS 116 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 3fxt s HIS 117 N -2.46 -0.68 -0.04 1.57 0.00 -1.11 -5.01 115.29 107.56 3fxt s HIS 117 Ca -0.35 1.34 -0.02 0.00 -3.00 0.00 0.00 55.06 53.03 3fxt s HIS 117 Cb 0.13 0.37 0.03 0.00 -4.00 0.00 0.00 32.58 29.11 3fxt s HIS 117 CO 0.46 -0.52 0.07 0.00 -1.00 0.00 0.00 174.74 173.74 3fxt s ALA 118 N -0.70 0.17 -0.10 -1.38 0.00 -1.26 -0.14 121.76 118.34 3fxt s ALA 118 Ca -0.07 0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.02 3fxt s ALA 118 Cb -0.02 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.55 3fxt s ALA 118 CO 0.07 -0.43 0.31 -2.00 0.00 0.00 0.00 175.76 173.70 3fxt s GLU 119 N 2.00 0.40 3.32 0.00 2.12 -0.53 -5.00 118.70 121.02 3fxt s GLU 119 Ca 0.03 0.34 0.00 0.00 0.36 0.00 0.00 54.97 55.69 3fxt s GLU 119 Cb -0.12 0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.46 3fxt s GLU 119 CO -0.03 -0.06 0.00 0.45 -0.54 0.00 0.00 175.26 175.08 3fxt n SER 120 N 2.68 0.00 -1.14 -1.70 2.88 -1.26 -1.92 113.62 113.17 3fxt n SER 120 Ca -0.14 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 0.28 0.00 -0.75 0.00 0.00 64.21 64.31 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 8.34 4.10 -3.69 -3.46 5.75 -1.26 -4.94 116.55 121.39 3fxt n ASP 121 Ca 0.00 -2.58 -0.06 0.00 -0.01 0.00 0.00 54.79 52.14 3fxt n ASP 121 Cb 0.00 -0.49 -0.02 0.00 -1.03 0.00 0.00 41.12 39.58 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 -1.28 -0.27 0.11 -1.12 1.04 -0.81 -1.24 113.70 110.14 3fxt s SER 122 Ca 0.42 -0.32 0.02 0.00 0.48 0.00 0.00 55.95 56.54 3fxt s SER 122 Cb 0.29 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.89 3fxt s SER 122 CO 0.16 -0.94 -0.06 -0.94 0.98 0.00 0.00 173.24 172.45 3fxt s SER 123 N -2.83 1.15 -0.08 7.02 1.04 -0.49 -1.45 113.70 118.07 3fxt s SER 123 Ca 0.09 -1.03 0.02 0.00 0.48 0.00 0.00 55.95 55.52 3fxt s SER 123 Cb -0.02 0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.21 3fxt s SER 123 CO -0.01 -0.48 -0.14 -0.89 0.98 0.00 0.00 173.24 172.71 3fxt s THR 124 N -3.62 1.27 0.09 2.02 2.01 0.80 -0.94 115.64 117.27 3fxt s THR 124 Ca 0.13 -0.55 0.06 0.00 0.31 0.00 0.00 61.69 61.65 3fxt s THR 124 Cb 0.05 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 3fxt s THR 124 CO -0.04 0.39 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.44 3fxt s LEU 125 N 0.70 3.11 0.07 4.42 1.43 0.05 -0.01 118.68 128.45 3fxt s LEU 125 Ca -0.14 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 3fxt s LEU 125 Cb -0.16 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 3fxt s LEU 125 CO 0.03 0.19 -0.13 -0.89 0.23 0.00 0.00 176.35 175.79 3fxt s THR 126 N -1.19 1.01 -0.08 5.49 2.01 0.21 -0.96 115.64 122.14 3fxt s THR 126 Ca 0.21 -1.27 -0.02 0.00 0.31 0.00 0.00 61.69 60.93 3fxt s THR 126 Cb -0.11 -0.99 0.03 0.00 0.01 0.00 0.00 72.50 71.44 3fxt s THR 126 CO 0.13 -0.25 0.02 -0.22 -0.69 0.00 0.00 174.62 173.61 3fxt s LEU 127 N -1.71 0.57 -0.34 4.42 2.96 -0.51 -1.23 118.68 122.84 3fxt s LEU 127 Ca -0.03 -0.14 -0.17 0.00 -0.22 0.00 0.00 54.13 53.57 3fxt s LEU 127 Cb -0.10 -0.40 -0.01 0.00 0.50 0.00 0.00 46.19 46.18 3fxt s LEU 127 CO 0.02 -0.22 0.45 0.26 -1.32 0.00 0.00 176.35 175.54 3fxt s TRP 128 N 2.00 3.20 -0.72 5.38 0.52 -1.26 -0.75 118.94 127.30 3fxt s TRP 128 Ca 0.04 0.13 0.26 0.00 0.02 0.00 0.00 56.10 56.55 3fxt s TRP 128 Cb -0.13 -2.81 0.72 0.00 -1.15 0.00 0.00 33.47 30.11 3fxt s TRP 128 CO -0.05 -0.48 1.69 1.28 0.02 0.00 0.00 176.95 179.41 3fxt n LEU 129 N 5.59 0.78 -0.50 2.99 4.77 -0.76 -2.29 117.00 127.58 3fxt n LEU 129 Ca -0.06 0.50 0.09 0.00 -0.03 0.00 0.00 56.01 56.51 3fxt n LEU 129 Cb 0.49 -0.29 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 3fxt n LEU 129 CO 0.43 -0.15 0.34 0.54 -1.33 0.00 0.00 177.39 177.22 3fxt n ARG 130 N -2.22 1.55 -0.80 3.23 1.74 -1.26 -5.03 116.66 113.88 3fxt n ARG 130 Ca 0.05 -1.06 0.00 0.00 -0.77 0.00 0.00 57.85 56.07 3fxt n ARG 130 Cb 0.43 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 3fxt n ARG 130 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50