#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4e s SER 2 N 0.00 6.32 -0.49 1.61 0.15 -1.26 -4.57 113.70 115.46 1x4e s SER 2 Ca 0.00 0.37 -0.18 0.00 0.70 0.00 0.00 55.95 56.84 1x4e s SER 2 Cb 0.00 -2.23 0.02 0.00 -1.71 0.00 0.00 66.02 62.10 1x4e s SER 2 CO 0.00 -0.20 0.63 -1.20 1.20 0.00 0.00 173.24 173.67 1x4e n SER 3 N 5.29 -7.41 0.00 5.45 7.64 -1.26 -5.02 113.62 118.31 1x4e n SER 3 Ca -0.07 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1x4e n SER 3 Cb 0.51 -4.61 0.00 0.00 -1.01 0.00 0.00 64.21 59.09 1x4e n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4e n GLY 4 N -0.52 -0.62 3.51 0.23 0.00 -1.26 -5.19 105.19 101.34 1x4e n GLY 4 Ca 0.05 0.73 -0.09 0.00 0.00 0.00 0.00 46.02 46.71 1x4e n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4e s SER 5 N 0.00 -0.39 -0.00 1.61 0.01 -1.26 -4.83 113.70 108.83 1x4e s SER 5 Ca 0.00 -0.04 0.21 0.00 1.31 0.00 0.00 55.95 57.43 1x4e s SER 5 Cb 0.00 0.44 -0.22 0.00 0.21 0.00 0.00 66.02 66.44 1x4e s SER 5 CO 0.00 -0.71 0.86 -1.54 0.41 0.00 0.00 173.24 172.25 1x4e n SER 6 N -0.29 0.84 -4.69 2.44 3.41 -1.26 -4.44 113.62 109.63 1x4e n SER 6 Ca -0.10 -0.83 -0.42 0.00 -0.26 0.00 0.00 58.87 57.26 1x4e n SER 6 Cb 0.62 1.12 -0.03 0.00 -0.26 0.00 0.00 64.21 65.66 1x4e n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1x4e s GLY 7 N -3.23 2.52 0.12 5.00 0.00 -1.26 -0.96 107.32 109.53 1x4e s GLY 7 Ca 0.06 0.38 0.07 0.00 0.00 0.00 0.00 44.72 45.23 1x4e s GLY 7 CO 0.87 1.78 -0.07 1.08 0.00 0.00 0.00 173.10 176.77 1x4e s LEU 8 N 1.64 3.15 -0.31 0.66 1.43 0.12 -2.33 118.68 123.04 1x4e s LEU 8 Ca 0.48 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1x4e s LEU 8 Cb -0.19 -1.89 0.10 0.00 0.03 0.00 0.00 46.19 44.24 1x4e s LEU 8 CO 0.21 0.15 0.10 -0.47 0.23 0.00 0.00 176.35 176.57 1x4e s TYR 9 N -1.38 1.52 -0.32 0.29 6.14 -0.19 -1.62 117.35 121.78 1x4e s TYR 9 Ca 0.24 -1.62 -0.13 0.00 0.64 0.00 0.00 57.07 56.19 1x4e s TYR 9 Cb -0.11 -1.61 -0.03 0.00 0.42 0.00 0.00 41.96 40.64 1x4e s TYR 9 CO 0.15 -0.87 0.27 0.42 0.64 0.00 0.00 175.55 176.17 1x4e s ILE 10 N 1.68 5.25 0.54 3.14 1.09 -0.12 -2.31 121.20 130.47 1x4e s ILE 10 Ca 0.10 0.02 0.02 0.00 -1.10 0.00 0.00 60.65 59.68 1x4e s ILE 10 Cb -0.17 -3.70 0.03 0.00 -1.06 0.00 0.00 42.46 37.56 1x4e s ILE 10 CO -0.27 0.04 0.76 -0.13 -0.10 0.00 0.00 174.94 175.25 1x4e s ARG 11 N 1.84 2.56 -0.52 2.79 0.52 0.24 0.20 118.95 126.58 1x4e s ARG 11 Ca 0.09 -0.81 -0.01 0.00 -0.52 0.00 0.00 55.73 54.47 1x4e s ARG 11 Cb -0.17 -2.50 -0.02 0.00 0.52 0.00 0.00 34.95 32.78 1x4e s ARG 11 CO 0.11 -0.69 0.47 0.41 0.02 0.00 0.00 175.30 175.62 1x4e n GLY 12 N -2.31 -0.68 0.00 -3.53 0.00 0.23 -4.28 105.19 94.61 1x4e n GLY 12 Ca 0.08 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1x4e n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4e n LEU 13 N -1.86 0.00 -4.43 0.99 4.77 -1.15 -4.99 117.00 110.33 1x4e n LEU 13 Ca -0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.74 1x4e n LEU 13 Cb 0.53 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 1x4e n LEU 13 CO 0.34 0.00 -0.45 -1.10 -1.33 0.00 0.00 177.39 174.84 1x4e s GLN 14 N 2.61 1.56 0.43 3.23 -1.52 -1.26 -4.91 119.66 119.80 1x4e s GLN 14 Ca 0.00 -1.72 0.30 0.00 -1.95 0.00 0.00 55.36 51.99 1x4e s GLN 14 Cb 0.00 -1.49 1.24 0.00 -0.22 0.00 0.00 33.01 32.53 1x4e s GLN 14 CO 0.00 0.24 1.88 -1.00 -0.25 0.00 0.00 175.29 176.17 1x4e h PRO 15 N 2.35 0.00 -0.03 2.91 0.13 -1.81 -2.54 132.00 133.02 1x4e h PRO 15 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1x4e h PRO 15 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1x4e h PRO 15 CO 0.62 0.00 -0.01 0.41 -0.23 0.00 0.00 178.00 178.79 1x4e n GLY 16 N -0.03 0.67 3.67 1.56 0.00 -1.26 -4.24 105.19 105.56 1x4e n GLY 16 Ca 0.01 -0.61 -0.45 0.00 0.00 0.00 0.00 46.02 44.96 1x4e n GLY 16 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x4e n THR 17 N 0.96 0.47 -4.62 2.61 -1.04 -0.96 -4.99 114.28 106.70 1x4e n THR 17 Ca 0.15 -0.12 -0.30 0.00 -2.04 0.00 0.00 64.05 61.75 1x4e n THR 17 Cb 0.52 -1.52 -0.09 0.00 -1.82 0.00 0.00 70.33 67.42 1x4e n THR 17 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1x4e s THR 18 N 0.43 1.59 0.17 12.58 -4.23 -1.26 -4.81 115.64 120.12 1x4e s THR 18 Ca 0.73 -1.95 -0.14 0.00 -1.18 0.00 0.00 61.69 59.15 1x4e s THR 18 Cb -0.66 -2.54 0.08 0.00 1.34 0.00 0.00 72.50 70.72 1x4e s THR 18 CO 0.44 0.00 1.71 0.44 -0.54 0.00 0.00 174.62 176.67 1x4e h ASP 19 N 1.49 -0.05 -0.43 3.99 3.32 -1.94 -2.15 116.42 120.66 1x4e h ASP 19 Ca -0.44 0.08 -0.04 0.00 0.02 0.00 0.00 57.03 56.66 1x4e h ASP 19 Cb 1.28 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.94 1x4e h ASP 19 CO 0.76 0.01 0.12 1.56 -1.72 0.00 0.00 179.24 179.97 1x4e h GLN 20 N 0.19 0.67 -1.39 3.56 4.20 -1.96 -2.57 115.11 117.81 1x4e h GLN 20 Ca 0.22 -0.15 0.40 0.00 0.06 0.00 0.00 58.65 59.18 1x4e h GLN 20 Cb 0.29 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.92 1x4e h GLN 20 CO -0.31 0.67 1.06 0.22 -0.67 0.00 0.00 178.83 179.79 1x4e h ASP 21 N 0.55 0.00 -0.04 1.46 1.82 -1.78 0.46 116.42 118.89 1x4e h ASP 21 Ca 0.14 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.70 1x4e h ASP 21 Cb 0.29 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.30 1x4e h ASP 21 CO -0.00 0.00 -0.28 -0.07 -1.61 0.00 0.00 179.24 177.27 1x4e h LEU 22 N 0.00 0.31 -0.79 2.28 3.38 -1.33 -3.01 115.31 116.15 1x4e h LEU 22 Ca 0.66 -0.70 0.13 0.00 0.09 0.00 0.00 57.88 58.06 1x4e h LEU 22 Cb 2.76 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 43.33 1x4e h LEU 22 CO -0.01 0.96 0.38 0.58 0.09 0.00 0.00 178.44 180.44 1x4e h VAL 23 N -0.31 0.74 0.00 1.22 2.07 -0.13 0.19 116.25 120.03 1x4e h VAL 23 Ca -0.03 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1x4e h VAL 23 Cb 0.97 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1x4e h VAL 23 CO 0.06 0.10 -0.23 0.07 0.02 0.00 0.00 177.57 177.60 1x4e h LYS 24 N 0.57 0.00 -0.62 1.57 2.10 -1.51 1.08 116.57 119.76 1x4e h LYS 24 Ca 0.42 0.00 0.10 0.00 -2.00 0.00 0.00 60.65 59.17 1x4e h LYS 24 Cb 0.57 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.86 1x4e h LYS 24 CO -0.35 0.23 0.41 1.25 -2.00 0.00 0.00 179.45 178.99 1x4e h LEU 25 N 0.00 0.39 -2.73 7.07 5.85 -0.47 -3.16 115.31 122.26 1x4e h LEU 25 Ca -0.00 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.57 1x4e h LEU 25 Cb 0.53 -0.07 -0.31 0.00 0.37 0.00 0.00 40.66 41.18 1x4e h LEU 25 CO 0.03 0.23 -0.86 0.00 -0.34 0.00 0.00 178.44 177.50 1x4e h GLN 27 N 0.75 -1.07 0.00 0.00 4.15 0.12 -2.68 115.11 116.37 1x4e h GLN 27 Ca -0.27 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.22 1x4e h GLN 27 Cb 1.77 0.24 0.00 0.00 0.21 0.00 0.00 27.48 29.70 1x4e h GLN 27 CO 0.02 -0.71 0.00 -0.35 -1.93 0.00 0.00 178.83 175.87 1x4e n PRO 28 N -5.53 0.49 0.04 -2.39 -0.04 -1.26 -2.64 135.00 123.67 1x4e n PRO 28 Ca -0.14 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.12 1x4e n PRO 28 Cb 0.44 -1.37 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 1x4e n PRO 28 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1x4e h TYR 29 N 0.00 0.52 0.00 0.54 -1.99 -1.85 -3.50 116.97 110.69 1x4e h TYR 29 Ca 0.00 -0.38 0.00 0.00 2.00 0.00 0.00 58.73 60.35 1x4e h TYR 29 Cb 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.71 1x4e h TYR 29 CO 0.00 1.57 0.00 0.41 -0.00 0.00 0.00 178.16 180.14 1x4e n GLY 30 N 1.82 -0.61 3.67 3.88 0.00 -1.08 -4.95 105.19 107.93 1x4e n GLY 30 Ca -0.24 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 1x4e n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x4e s LYS 31 N -0.08 4.27 -0.35 1.61 2.20 -1.26 -4.74 119.74 121.39 1x4e s LYS 31 Ca 0.00 0.79 -0.06 0.00 -0.36 0.00 0.00 55.97 56.33 1x4e s LYS 31 Cb 0.00 -3.56 0.05 0.00 -1.51 0.00 0.00 37.83 32.81 1x4e s LYS 31 CO 0.00 -0.24 0.13 0.42 -0.36 0.00 0.00 175.35 175.30 1x4e s ILE 32 N 1.88 3.79 0.07 5.43 1.01 -1.26 -1.69 121.20 130.43 1x4e s ILE 32 Ca 0.33 -1.22 -0.36 0.00 0.00 0.00 0.00 60.65 59.41 1x4e s ILE 32 Cb -0.16 -3.19 -0.20 0.00 0.01 0.00 0.00 42.46 38.92 1x4e s ILE 32 CO 0.12 -0.24 1.59 0.58 0.00 0.00 0.00 174.94 176.99 1x4e h VAL 33 N 6.18 0.14 -2.71 2.92 2.07 -0.55 -3.47 116.25 120.83 1x4e h VAL 33 Ca -0.23 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.19 1x4e h VAL 33 Cb 1.08 0.14 -0.20 0.00 -1.52 0.00 0.00 31.29 30.80 1x4e h VAL 33 CO 0.62 0.00 -0.13 -0.55 0.02 0.00 0.00 177.57 177.53 1x4e s SER 34 N -4.19 -0.34 -0.03 0.57 0.15 -1.19 -5.04 113.70 103.64 1x4e s SER 34 Ca -0.19 0.29 0.07 0.00 0.70 0.00 0.00 55.95 56.82 1x4e s SER 34 Cb 0.03 0.39 -0.02 0.00 -1.71 0.00 0.00 66.02 64.71 1x4e s SER 34 CO 0.61 -0.49 -0.26 0.42 1.20 0.00 0.00 173.24 174.72 1x4e s THR 35 N -1.27 2.04 -0.16 6.45 -4.23 -1.26 -1.29 115.64 115.93 1x4e s THR 35 Ca -0.13 -1.09 -0.02 0.00 -1.18 0.00 0.00 61.69 59.28 1x4e s THR 35 Cb -0.04 -1.71 0.05 0.00 1.34 0.00 0.00 72.50 72.14 1x4e s THR 35 CO 0.06 0.57 -0.00 -0.75 -0.54 0.00 0.00 174.62 173.96 1x4e s LYS 36 N -0.45 0.93 -0.13 3.99 2.47 -0.16 -4.95 119.74 121.44 1x4e s LYS 36 Ca 0.05 -0.34 -0.23 0.00 -1.56 0.00 0.00 55.97 53.89 1x4e s LYS 36 Cb -0.11 -1.82 -0.03 0.00 -1.46 0.00 0.00 37.83 34.41 1x4e s LYS 36 CO 0.01 -0.49 0.71 0.00 0.16 0.00 0.00 175.35 175.74 1x4e s ALA 37 N 1.80 3.44 -0.33 3.13 0.00 -1.26 0.32 121.76 128.86 1x4e s ALA 37 Ca 0.01 -0.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.67 1x4e s ALA 37 Cb -0.15 -3.02 -0.00 0.00 0.00 0.00 0.00 23.12 19.94 1x4e s ALA 37 CO -0.07 -0.36 1.49 0.42 0.00 0.00 0.00 175.76 177.23 1x4e s ILE 38 N 1.43 3.85 0.11 0.00 -1.09 -0.80 -4.94 121.20 119.77 1x4e s ILE 38 Ca 0.35 0.92 0.08 0.00 -2.23 0.00 0.00 60.65 59.76 1x4e s ILE 38 Cb -0.17 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 1x4e s ILE 38 CO 0.14 -0.53 -0.13 -0.76 -1.23 0.00 0.00 174.94 172.43 1x4e s LEU 39 N 5.33 2.92 0.90 2.97 1.43 -1.26 -1.41 118.68 129.56 1x4e s LEU 39 Ca 0.65 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 53.18 1x4e s LEU 39 Cb -0.18 -1.73 0.13 0.00 0.03 0.00 0.00 46.19 44.44 1x4e s LEU 39 CO 0.30 0.17 1.09 -1.81 0.23 0.00 0.00 176.35 176.34 1x4e s ASP 40 N -2.22 3.32 -0.01 2.29 1.01 -1.26 -4.67 116.67 115.13 1x4e s ASP 40 Ca 0.20 1.70 0.11 0.00 0.71 0.00 0.00 52.55 55.27 1x4e s ASP 40 Cb -0.11 -2.34 -0.23 0.00 1.01 0.00 0.00 42.92 41.26 1x4e s ASP 40 CO 0.13 -2.77 0.80 0.07 0.21 0.00 0.00 175.17 173.61 1x4e h LYS 41 N -1.64 0.01 0.00 8.23 2.10 -2.00 -3.00 116.57 120.27 1x4e h LYS 41 Ca -0.48 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 1x4e h LYS 41 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1x4e h LYS 41 CO 0.51 0.63 -0.30 2.41 -2.00 0.00 0.00 179.45 180.70 1x4e n THR 42 N -3.13 0.60 0.08 0.07 -1.04 -1.26 -4.65 114.28 104.95 1x4e n THR 42 Ca -0.13 0.37 -0.10 0.00 -2.04 0.00 0.00 64.05 62.15 1x4e n THR 42 Cb 1.03 -1.86 -0.07 0.00 -1.82 0.00 0.00 70.33 67.60 1x4e n THR 42 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1x4e h THR 43 N -0.41 1.55 -3.19 12.58 1.35 -1.99 -3.47 112.91 119.33 1x4e h THR 43 Ca 0.00 -2.95 -0.36 0.00 -0.55 0.00 0.00 66.41 62.55 1x4e h THR 43 Cb 0.30 2.70 -0.02 0.00 -1.73 0.00 0.00 68.15 69.40 1x4e h THR 43 CO 0.00 0.86 -0.46 0.59 -0.25 0.00 0.00 175.52 176.26 1x4e n ASN 44 N -3.54 -5.22 -3.77 5.36 3.02 -1.13 -4.89 115.26 105.09 1x4e n ASN 44 Ca -0.04 0.07 -0.41 0.00 -0.03 0.00 0.00 54.58 54.17 1x4e n ASN 44 Cb 0.90 -4.38 0.01 0.00 -0.61 0.00 0.00 39.78 35.70 1x4e n ASN 44 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1x4e n LYS 45 N -2.91 5.05 -3.19 3.52 5.02 -1.26 -4.43 118.16 119.96 1x4e n LYS 45 Ca -0.21 -4.63 -0.04 0.00 -2.02 0.00 0.00 58.31 51.40 1x4e n LYS 45 Cb 0.66 -2.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.19 1x4e n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x4e n LYS 47 N 1.08 -0.04 0.00 0.00 5.02 -0.50 -4.58 118.16 119.14 1x4e n LYS 47 Ca -0.01 1.24 0.00 0.00 -2.02 0.00 0.00 58.31 57.52 1x4e n LYS 47 Cb 0.48 -2.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.08 1x4e n LYS 47 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x4e n GLY 48 N -1.48 0.78 3.12 0.72 0.00 -1.26 -4.95 105.19 102.13 1x4e n GLY 48 Ca 0.39 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.32 1x4e n GLY 48 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x4e s TYR 49 N -0.78 0.18 0.00 1.61 2.02 -1.26 0.77 117.35 119.88 1x4e s TYR 49 Ca 0.00 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.24 1x4e s TYR 49 Cb 0.00 -0.13 -0.01 0.00 -0.40 0.00 0.00 41.96 41.43 1x4e s TYR 49 CO 0.00 -0.37 -0.05 0.20 -1.57 0.00 0.00 175.55 173.75 1x4e s GLY 50 N -2.12 0.28 -0.12 0.71 0.00 0.13 -1.90 107.32 104.31 1x4e s GLY 50 Ca -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 44.72 44.37 1x4e s GLY 50 CO -0.04 -0.25 -0.04 -0.12 0.00 0.00 0.00 173.10 172.64 1x4e s PHE 51 N -0.26 3.03 -0.18 1.90 5.36 0.15 -0.95 117.98 127.03 1x4e s PHE 51 Ca 0.01 -0.11 -0.05 0.00 -0.96 0.00 0.00 56.93 55.81 1x4e s PHE 51 Cb -0.03 -1.86 0.06 0.00 -0.34 0.00 0.00 43.02 40.85 1x4e s PHE 51 CO -0.00 0.16 0.09 0.08 -1.46 0.00 0.00 175.22 174.09 1x4e s VAL 52 N -0.19 -0.09 -0.14 3.12 1.01 -0.64 -0.99 120.40 122.49 1x4e s VAL 52 Ca 0.04 -0.21 -0.13 0.00 0.00 0.00 0.00 61.98 61.67 1x4e s VAL 52 Cb -0.13 -0.61 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 1x4e s VAL 52 CO 0.02 -0.32 0.27 -1.81 0.00 0.00 0.00 175.10 173.26 1x4e s ASP 53 N 2.14 6.45 0.30 3.32 1.11 -0.41 0.12 116.67 129.70 1x4e s ASP 53 Ca 0.03 0.53 0.07 0.00 0.18 0.00 0.00 52.55 53.36 1x4e s ASP 53 Cb -0.16 -2.17 -0.03 0.00 1.07 0.00 0.00 42.92 41.64 1x4e s ASP 53 CO -0.12 0.18 0.28 -0.36 1.18 0.00 0.00 175.17 176.33 1x4e s PHE 54 N 0.04 3.04 -1.72 4.23 0.40 -0.13 0.13 117.98 123.97 1x4e s PHE 54 Ca 0.16 -0.20 0.22 0.00 -0.60 0.00 0.00 56.93 56.51 1x4e s PHE 54 Cb -0.13 -1.65 1.24 0.00 0.51 0.00 0.00 43.02 42.99 1x4e s PHE 54 CO 0.04 0.31 1.73 -0.40 0.70 0.00 0.00 175.22 177.60 1x4e n ASP 55 N -1.33 0.00 -3.53 1.36 5.75 -0.68 -4.56 116.55 113.57 1x4e n ASP 55 Ca -0.04 -0.38 -0.18 0.00 -0.01 0.00 0.00 54.79 54.18 1x4e n ASP 55 Cb 0.59 -0.14 -0.06 0.00 -1.03 0.00 0.00 41.12 40.48 1x4e n ASP 55 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1x4e s SER 56 N -2.28 -0.66 0.23 -1.12 0.01 -1.26 -5.05 113.70 103.56 1x4e s SER 56 Ca 0.28 0.75 -0.00 0.00 1.31 0.00 0.00 55.95 58.28 1x4e s SER 56 Cb 0.15 0.58 0.23 0.00 0.21 0.00 0.00 66.02 67.19 1x4e s SER 56 CO 0.30 -0.59 1.59 1.55 0.41 0.00 0.00 173.24 176.50 1x4e h PRO 57 N 3.08 0.51 0.00 12.44 0.13 -1.86 -2.72 132.00 143.57 1x4e h PRO 57 Ca -0.27 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1x4e h PRO 57 Cb 1.14 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1x4e h PRO 57 CO 0.37 0.85 0.00 0.45 -0.23 0.00 0.00 178.00 179.44 1x4e n SER 58 N -4.01 0.60 0.01 1.44 2.88 -1.26 -2.67 113.62 110.60 1x4e n SER 58 Ca -0.02 0.64 -0.22 0.00 -1.33 0.00 0.00 58.87 57.94 1x4e n SER 58 Cb 0.53 -0.77 -0.14 0.00 -0.75 0.00 0.00 64.21 63.08 1x4e n SER 58 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x4e h ALA 59 N 2.31 0.30 -0.39 -1.46 0.00 -1.86 -3.37 119.26 114.79 1x4e h ALA 59 Ca 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 54.91 53.65 1x4e h ALA 59 Cb 0.38 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1x4e h ALA 59 CO 0.00 1.06 0.20 0.00 0.00 0.00 0.00 179.25 180.51 1x4e h ALA 60 N -0.02 0.51 -0.74 0.00 0.00 -1.39 -2.95 119.26 114.68 1x4e h ALA 60 Ca -0.37 -0.10 0.16 0.00 0.00 0.00 0.00 54.91 54.60 1x4e h ALA 60 Cb 1.89 -0.16 -0.13 0.00 0.00 0.00 0.00 17.79 19.39 1x4e h ALA 60 CO 0.06 0.06 -0.10 1.96 0.00 0.00 0.00 179.25 181.23 1x4e h GLN 61 N 0.50 0.04 -1.16 0.00 4.20 -1.69 0.25 115.11 117.26 1x4e h GLN 61 Ca 0.14 -0.00 0.43 0.00 0.06 0.00 0.00 58.65 59.28 1x4e h GLN 61 Cb 0.10 -0.01 -0.16 0.00 0.30 0.00 0.00 27.48 27.71 1x4e h GLN 61 CO -0.02 0.03 0.69 -0.22 -0.67 0.00 0.00 178.83 178.64 1x4e h LYS 62 N 0.04 0.03 0.26 1.46 3.64 -1.67 0.13 116.57 120.47 1x4e h LYS 62 Ca 0.38 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 1x4e h LYS 62 Cb 0.62 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1x4e h LYS 62 CO -0.71 0.02 -0.13 0.00 -2.27 0.00 0.00 179.45 176.37 1x4e h ALA 63 N 1.82 -0.51 -0.96 5.00 0.00 -0.64 -2.74 119.26 121.24 1x4e h ALA 63 Ca 0.85 -0.08 0.30 0.00 0.00 0.00 0.00 54.91 55.98 1x4e h ALA 63 Cb 2.44 0.14 -0.17 0.00 0.00 0.00 0.00 17.79 20.20 1x4e h ALA 63 CO -0.63 -0.49 0.26 0.28 0.00 0.00 0.00 179.25 178.68 1x4e h VAL 64 N -0.72 0.14 -0.50 0.00 2.07 -1.03 0.89 116.25 117.10 1x4e h VAL 64 Ca -0.04 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1x4e h VAL 64 Cb 0.27 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1x4e h VAL 64 CO 0.06 0.02 0.25 0.74 0.02 0.00 0.00 177.57 178.65 1x4e h THR 65 N 0.10 1.19 0.10 2.57 2.02 -1.12 -2.15 112.91 115.62 1x4e h THR 65 Ca 0.65 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 1x4e h THR 65 Cb 1.47 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1x4e h THR 65 CO -0.77 0.21 -0.05 0.00 0.37 0.00 0.00 175.52 175.28 1x4e h ALA 66 N 1.09 -0.20 -0.89 6.16 0.00 0.45 -3.29 119.26 122.57 1x4e h ALA 66 Ca 0.17 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.21 1x4e h ALA 66 Cb 0.11 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 17.80 1x4e h ALA 66 CO -0.02 -0.19 -0.28 1.28 0.00 0.00 0.00 179.25 180.04 1x4e n LEU 67 N -3.75 -0.44 -0.19 0.00 4.77 0.25 0.37 117.00 118.01 1x4e n LEU 67 Ca -0.02 1.55 -0.05 0.00 -0.03 0.00 0.00 56.01 57.46 1x4e n LEU 67 Cb 0.05 -0.41 0.02 0.00 -2.33 0.00 0.00 43.42 40.75 1x4e n LEU 67 CO 0.04 -1.44 0.65 0.11 -1.33 0.00 0.00 177.39 175.43 1x4e h LYS 68 N 0.00 -0.14 0.00 3.23 1.57 -1.52 0.59 116.57 120.30 1x4e h LYS 68 Ca 0.37 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.16 1x4e h LYS 68 Cb 0.60 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1x4e h LYS 68 CO -0.90 -0.09 -0.03 0.00 -0.57 0.00 0.00 179.45 177.86 1x4e h ALA 69 N 1.09 1.66 0.00 3.86 0.00 -0.15 -1.03 119.26 124.69 1x4e h ALA 69 Ca 0.24 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1x4e h ALA 69 Cb 0.53 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1x4e h ALA 69 CO -0.65 0.03 -0.35 1.03 0.00 0.00 0.00 179.25 179.32 1x4e h SER 70 N 0.00 0.00 0.00 0.00 0.87 0.11 -3.46 113.55 111.06 1x4e h SER 70 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1x4e h SER 70 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1x4e h SER 70 CO 0.00 0.35 0.00 0.61 -0.53 0.00 0.00 176.83 177.26 1x4e n GLY 71 N -0.30 1.83 3.26 5.77 0.00 -0.39 -5.10 105.19 110.27 1x4e n GLY 71 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1x4e n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4e s VAL 72 N -2.00 1.73 -0.67 1.61 0.11 -1.19 -5.06 120.40 114.94 1x4e s VAL 72 Ca 0.00 -1.23 -0.27 0.00 -2.93 0.00 0.00 61.98 57.55 1x4e s VAL 72 Cb 0.00 -1.50 0.00 0.00 -1.53 0.00 0.00 36.38 33.35 1x4e s VAL 72 CO 0.00 0.22 1.59 -1.10 -3.33 0.00 0.00 175.10 172.48 1x4e s GLN 73 N -1.21 2.89 -0.16 1.54 -0.21 -1.26 -4.00 119.66 117.25 1x4e s GLN 73 Ca 0.08 0.22 0.00 0.00 0.02 0.00 0.00 55.36 55.68 1x4e s GLN 73 Cb -0.09 -4.29 0.03 0.00 1.00 0.00 0.00 33.01 29.66 1x4e s GLN 73 CO 0.02 -2.46 -0.10 0.00 -2.12 0.00 0.00 175.29 170.63 1x4e s ALA 74 N 7.52 1.68 0.38 6.09 0.00 -1.26 -0.59 121.76 135.57 1x4e s ALA 74 Ca 0.52 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.65 1x4e s ALA 74 Cb -0.10 -1.09 -0.05 0.00 0.00 0.00 0.00 23.12 21.88 1x4e s ALA 74 CO 0.18 -0.58 0.06 1.14 0.00 0.00 0.00 175.76 176.57 1x4e s GLN 75 N 1.55 1.82 -1.20 0.00 -2.07 -0.98 -4.80 119.66 113.98 1x4e s GLN 75 Ca 0.03 -2.06 -0.07 0.00 -1.82 0.00 0.00 55.36 51.44 1x4e s GLN 75 Cb -0.14 -0.98 -0.03 0.00 -1.09 0.00 0.00 33.01 30.77 1x4e s GLN 75 CO -0.09 -0.26 2.83 -1.33 -1.32 0.00 0.00 175.29 175.13 1x4e n MET 76 N -0.84 3.67 -2.84 9.60 2.81 -1.26 -1.03 117.12 127.23 1x4e n MET 76 Ca -0.05 -2.50 -0.06 0.00 -1.81 0.00 0.00 57.70 53.28 1x4e n MET 76 Cb 0.66 -2.58 0.01 0.00 -0.71 0.00 0.00 33.22 30.60 1x4e n MET 76 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x4e n ALA 77 N 2.53 -1.89 -3.08 3.04 0.00 -0.98 -4.83 120.51 115.30 1x4e n ALA 77 Ca 0.66 0.05 -0.45 0.00 0.00 0.00 0.00 53.44 53.70 1x4e n ALA 77 Cb 0.36 -0.69 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 1x4e n ALA 77 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1x4e s LYS 78 N -1.07 3.30 0.01 0.00 2.36 -1.26 -4.80 119.74 118.28 1x4e s LYS 78 Ca 0.06 -1.62 -0.03 0.00 -2.55 0.00 0.00 55.97 51.83 1x4e s LYS 78 Cb -0.01 -4.47 -0.01 0.00 -1.05 0.00 0.00 37.83 32.30 1x4e s LYS 78 CO 0.14 -1.58 -0.05 1.04 1.55 0.00 0.00 175.35 176.45 1x4e n GLN 79 N 6.04 0.08 -4.08 4.03 6.02 -1.26 -5.07 117.38 123.13 1x4e n GLN 79 Ca 0.04 0.03 -0.26 0.00 -0.01 0.00 0.00 57.00 56.80 1x4e n GLN 79 Cb 0.45 -0.48 -0.05 0.00 1.02 0.00 0.00 30.24 31.18 1x4e n GLN 79 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1x4e s SER 80 N -5.41 5.51 0.00 1.08 0.15 -1.26 -5.04 113.70 108.73 1x4e s SER 80 Ca -0.04 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1x4e s SER 80 Cb 0.01 -1.44 0.00 0.00 -1.71 0.00 0.00 66.02 62.88 1x4e s SER 80 CO 0.07 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1x4e n GLY 81 N -0.36 2.62 3.64 9.45 0.00 -1.26 -4.84 105.19 114.45 1x4e n GLY 81 Ca -0.08 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 1x4e n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4e s PRO 82 N -4.37 3.99 0.22 1.61 0.04 -1.26 -4.96 135.00 130.27 1x4e s PRO 82 Ca 0.00 1.82 -0.32 0.00 0.04 0.00 0.00 61.00 62.55 1x4e s PRO 82 Cb 0.00 -3.97 -0.12 0.00 0.04 0.00 0.00 34.50 30.45 1x4e s PRO 82 CO 0.00 -1.06 1.70 0.45 0.04 0.00 0.00 177.00 178.14 1x4e n SER 83 N 7.72 3.98 -0.58 6.66 2.88 -1.26 -4.69 113.62 128.33 1x4e n SER 83 Ca 0.17 1.08 0.07 0.00 -1.33 0.00 0.00 58.87 58.86 1x4e n SER 83 Cb 0.44 -1.58 -0.04 0.00 -0.75 0.00 0.00 64.21 62.29 1x4e n SER 83 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x4e n SER 84 N 3.64 -3.25 0.00 -3.46 2.88 -1.26 -5.28 113.62 106.90 1x4e n SER 84 Ca 0.15 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.23 1x4e n SER 84 Cb 0.35 -1.97 0.00 0.00 -0.75 0.00 0.00 64.21 61.85 1x4e n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42