#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 3.13 0.50 1.61 1.04 -1.26 -5.14 113.70 113.58 1x4e s SER 2 Ca 0.00 -1.21 -0.12 0.00 0.48 0.00 0.00 55.95 55.10 1x4e s SER 2 Cb 0.00 -0.17 -0.06 0.00 0.10 0.00 0.00 66.02 65.89 1x4e s SER 2 CO 0.00 -0.42 0.91 -0.94 0.98 0.00 0.00 173.24 173.76 1x4e s SER 3 N 2.12 6.48 0.00 7.02 1.04 -1.26 -4.94 113.70 124.15 1x4e s SER 3 Ca 0.09 1.34 0.00 0.00 0.48 0.00 0.00 55.95 57.86 1x4e s SER 3 Cb -0.16 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1x4e s SER 3 CO -0.35 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1x4e n GLY 4 N -1.79 -0.08 3.77 7.32 0.00 -1.26 -5.08 105.19 108.07 1x4e n GLY 4 Ca 0.05 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.22 1x4e n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4e s SER 5 N -2.13 -0.09 -0.01 1.61 1.04 -1.26 -5.03 113.70 107.83 1x4e s SER 5 Ca 0.00 -0.86 0.15 0.00 0.48 0.00 0.00 55.95 55.72 1x4e s SER 5 Cb 0.00 0.73 -0.21 0.00 0.10 0.00 0.00 66.02 66.65 1x4e s SER 5 CO 0.00 -1.40 0.48 -1.54 0.98 0.00 0.00 173.24 171.77 1x4e n SER 6 N -0.75 1.10 -4.71 7.02 3.41 -1.26 -4.37 113.62 114.06 1x4e n SER 6 Ca -0.04 -0.40 -0.42 0.00 -0.26 0.00 0.00 58.87 57.75 1x4e n SER 6 Cb 0.60 1.38 -0.03 0.00 -0.26 0.00 0.00 64.21 65.90 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 -3.16 2.81 0.08 5.00 0.00 -1.26 -1.26 107.32 109.53 1x4e s GLY 7 Ca -0.00 0.46 0.07 0.00 0.00 0.00 0.00 44.72 45.24 1x4e s GLY 7 CO 0.64 1.63 -0.14 1.08 0.00 0.00 0.00 173.10 176.31 1x4e s LEU 8 N 1.08 2.85 -0.34 0.66 1.43 0.10 -2.54 118.68 121.92 1x4e s LEU 8 Ca 0.49 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1x4e s LEU 8 Cb -0.20 -1.67 0.10 0.00 0.03 0.00 0.00 46.19 44.45 1x4e s LEU 8 CO 0.25 0.21 0.11 -0.47 0.23 0.00 0.00 176.35 176.68 1x4e s TYR 9 N -1.09 2.24 -0.35 0.29 6.14 0.07 -1.69 117.35 122.95 1x4e s TYR 9 Ca 0.18 -2.13 -0.15 0.00 0.64 0.00 0.00 57.07 55.60 1x4e s TYR 9 Cb -0.11 -2.03 -0.01 0.00 0.42 0.00 0.00 41.96 40.23 1x4e s TYR 9 CO 0.10 -0.88 0.36 0.42 0.64 0.00 0.00 175.55 176.19 1x4e s ILE 10 N 1.27 5.17 0.39 3.14 1.09 -0.20 -2.24 121.20 129.82 1x4e s ILE 10 Ca 0.11 -0.02 0.02 0.00 -1.10 0.00 0.00 60.65 59.65 1x4e s ILE 10 Cb -0.19 -3.84 -0.01 0.00 -1.06 0.00 0.00 42.46 37.36 1x4e s ILE 10 CO -0.18 -0.13 0.59 -0.13 -0.10 0.00 0.00 174.94 174.99 1x4e s ARG 11 N 2.01 3.21 -0.26 2.79 0.52 0.38 -0.13 118.95 127.47 1x4e s ARG 11 Ca 0.11 -0.55 -0.01 0.00 -0.52 0.00 0.00 55.73 54.77 1x4e s ARG 11 Cb -0.17 -2.65 -0.01 0.00 0.52 0.00 0.00 34.95 32.64 1x4e s ARG 11 CO 0.12 -0.06 0.24 0.41 0.02 0.00 0.00 175.30 176.02 1x4e n GLY 12 N -1.89 -0.11 0.00 -3.53 0.00 0.50 -4.19 105.19 95.97 1x4e n GLY 12 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.63 0.00 -4.48 0.99 4.77 -0.85 -4.98 117.00 110.81 1x4e n LEU 13 Ca -0.01 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.73 1x4e n LEU 13 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1x4e n LEU 13 CO 0.16 0.00 -0.47 -1.10 -1.33 0.00 0.00 177.39 174.65 1x4e s GLN 14 N 2.59 1.73 0.08 3.23 -1.52 -1.26 -4.89 119.66 119.62 1x4e s GLN 14 Ca 0.00 -1.69 0.17 0.00 -1.95 0.00 0.00 55.36 51.89 1x4e s GLN 14 Cb 0.00 -1.83 0.73 0.00 -0.22 0.00 0.00 33.01 31.69 1x4e s GLN 14 CO 0.00 0.35 1.54 -0.35 -0.25 0.00 0.00 175.29 176.57 1x4e n PRO 15 N -0.51 0.06 -0.09 2.91 -0.04 -1.26 -2.17 135.00 133.90 1x4e n PRO 15 Ca -0.06 0.31 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 1x4e n PRO 15 Cb 0.59 -1.62 0.14 0.00 -0.04 0.00 0.00 33.50 32.57 1x4e n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x4e n GLY 16 N -0.04 1.14 3.70 0.55 0.00 -1.26 -4.30 105.19 104.97 1x4e n GLY 16 Ca 0.03 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1x4e n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x4e s THR 17 N -1.41 2.77 0.26 2.61 2.01 -0.92 -5.00 115.64 115.96 1x4e s THR 17 Ca 0.28 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.66 1x4e s THR 17 Cb 0.17 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.44 1x4e s THR 17 CO 0.25 0.01 0.02 0.35 -0.69 0.00 0.00 174.62 174.56 1x4e n THR 18 N 4.43 0.00 0.32 -0.82 -2.24 -1.26 -4.78 114.28 109.93 1x4e n THR 18 Ca 0.15 -1.19 -0.19 0.00 -2.27 0.00 0.00 64.05 60.56 1x4e n THR 18 Cb 0.39 0.18 -0.10 0.00 -2.10 0.00 0.00 70.33 68.71 1x4e n THR 18 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1x4e h ASP 19 N 0.58 -1.38 -0.30 3.42 1.82 -1.94 -2.84 116.42 115.78 1x4e h ASP 19 Ca -0.21 0.10 0.06 0.00 -0.39 0.00 0.00 57.03 56.59 1x4e h ASP 19 Cb 0.64 0.45 -0.08 0.00 0.68 0.00 0.00 39.33 41.01 1x4e h ASP 19 CO 0.34 -0.69 -0.44 1.56 -1.61 0.00 0.00 179.24 178.40 1x4e h GLN 20 N -1.05 -0.39 -0.96 0.28 4.20 -1.97 0.05 115.11 115.27 1x4e h GLN 20 Ca -0.07 0.03 0.35 0.00 0.06 0.00 0.00 58.65 59.02 1x4e h GLN 20 Cb 0.90 0.09 -0.18 0.00 0.30 0.00 0.00 27.48 28.59 1x4e h GLN 20 CO -0.03 -0.26 0.33 -3.47 -0.67 0.00 0.00 178.83 174.73 1x4e n ASP 21 N -5.42 0.16 -0.23 1.46 -0.08 -1.15 0.22 116.55 111.52 1x4e n ASP 21 Ca -0.02 1.61 -0.04 0.00 -1.51 0.00 0.00 54.79 54.83 1x4e n ASP 21 Cb 0.36 -0.71 0.14 0.00 2.34 0.00 0.00 41.12 43.25 1x4e n ASP 21 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1x4e h LEU 22 N 0.00 0.95 -0.56 -2.67 3.38 -0.74 -2.43 115.31 113.24 1x4e h LEU 22 Ca 0.73 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.57 1x4e h LEU 22 Cb 1.79 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 42.27 1x4e h LEU 22 CO -0.80 0.84 0.37 0.58 0.09 0.00 0.00 178.44 179.51 1x4e h VAL 23 N 1.02 1.15 0.00 1.22 2.07 0.29 -1.16 116.25 120.84 1x4e h VAL 23 Ca 0.24 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1x4e h VAL 23 Cb 0.18 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1x4e h VAL 23 CO -0.02 0.14 0.00 0.11 0.02 0.00 0.00 177.57 177.82 1x4e h LYS 24 N 0.76 0.00 -0.55 1.57 1.57 -1.14 0.42 116.57 119.19 1x4e h LYS 24 Ca 0.20 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1x4e h LYS 24 Cb -0.08 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1x4e h LYS 24 CO -0.04 0.00 0.14 1.25 -0.57 0.00 0.00 179.45 180.23 1x4e h LEU 25 N 0.00 0.79 -2.72 2.94 5.85 -0.73 -3.31 115.31 118.12 1x4e h LEU 25 Ca 0.00 -0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.44 1x4e h LEU 25 Cb 0.39 -0.21 -0.30 0.00 0.37 0.00 0.00 40.66 40.92 1x4e h LEU 25 CO 0.00 0.77 -0.88 0.00 -0.34 0.00 0.00 178.44 177.99 1x4e h GLN 27 N 0.74 -0.92 0.00 0.00 4.15 -0.26 -2.70 115.11 116.11 1x4e h GLN 27 Ca -0.20 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.28 1x4e h GLN 27 Cb 1.76 0.21 0.00 0.00 0.21 0.00 0.00 27.48 29.66 1x4e h GLN 27 CO 0.06 -0.59 0.00 -0.35 -1.93 0.00 0.00 178.83 176.02 1x4e n PRO 28 N -5.45 0.49 0.06 -2.39 -0.04 -1.26 -2.68 135.00 123.72 1x4e n PRO 28 Ca -0.13 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.11 1x4e n PRO 28 Cb 0.40 -1.41 -0.15 0.00 -0.04 0.00 0.00 33.50 32.30 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 0.63 0.00 0.54 -1.99 -1.85 -3.50 116.97 110.80 1x4e h TYR 29 Ca 0.00 -0.46 0.00 0.00 2.00 0.00 0.00 58.73 60.27 1x4e h TYR 29 Cb 0.00 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.70 1x4e h TYR 29 CO 0.00 1.65 0.00 0.41 -0.00 0.00 0.00 178.16 180.22 1x4e n GLY 30 N 1.86 1.42 3.58 3.88 0.00 -1.09 -4.96 105.19 109.89 1x4e n GLY 30 Ca -0.25 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 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 2.12 3.82 -0.27 1.61 2.20 -1.26 -4.78 119.74 123.18 1x4e s LYS 31 Ca 0.00 -0.01 -0.11 0.00 -0.36 0.00 0.00 55.97 55.49 1x4e s LYS 31 Cb 0.00 -3.73 -0.05 0.00 -1.51 0.00 0.00 37.83 32.54 1x4e s LYS 31 CO 0.00 -0.47 0.18 0.42 -0.36 0.00 0.00 175.35 175.11 1x4e s ILE 32 N 2.27 5.31 -0.08 5.43 1.01 -1.26 -1.94 121.20 131.94 1x4e s ILE 32 Ca 0.18 0.17 -0.05 0.00 0.00 0.00 0.00 60.65 60.94 1x4e s ILE 32 Cb -0.16 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1x4e s ILE 32 CO 0.11 0.28 0.22 0.58 0.00 0.00 0.00 174.94 176.13 1x4e h VAL 33 N 5.26 0.04 -2.39 2.92 2.07 -0.79 -3.46 116.25 119.90 1x4e h VAL 33 Ca -0.36 -0.90 -0.08 0.00 0.82 0.00 0.00 66.70 66.18 1x4e h VAL 33 Cb 1.18 0.07 -0.22 0.00 -1.52 0.00 0.00 31.29 30.81 1x4e h VAL 33 CO 0.58 0.01 -0.04 -0.55 0.02 0.00 0.00 177.57 177.60 1x4e s SER 34 N -5.36 -0.56 0.02 0.57 0.15 -1.20 -5.03 113.70 102.29 1x4e s SER 34 Ca -0.03 0.96 0.03 0.00 0.70 0.00 0.00 55.95 57.61 1x4e s SER 34 Cb 0.00 0.97 -0.04 0.00 -1.71 0.00 0.00 66.02 65.25 1x4e s SER 34 CO 0.09 -0.28 -0.01 0.42 1.20 0.00 0.00 173.24 174.66 1x4e s THR 35 N -0.10 4.06 -0.25 6.45 -4.23 -1.26 -1.60 115.64 118.71 1x4e s THR 35 Ca -0.03 -0.73 -0.04 0.00 -1.18 0.00 0.00 61.69 59.71 1x4e s THR 35 Cb -0.03 -2.84 0.09 0.00 1.34 0.00 0.00 72.50 71.05 1x4e s THR 35 CO 0.03 0.31 0.11 -0.75 -0.54 0.00 0.00 174.62 173.78 1x4e s LYS 36 N -1.74 0.23 -0.05 3.99 2.47 -0.55 -4.95 119.74 119.14 1x4e s LYS 36 Ca 0.21 -0.45 -0.29 0.00 -1.56 0.00 0.00 55.97 53.87 1x4e s LYS 36 Cb -0.12 -1.46 -0.02 0.00 -1.46 0.00 0.00 37.83 34.77 1x4e s LYS 36 CO 0.12 -0.90 0.97 0.00 0.16 0.00 0.00 175.35 175.70 1x4e s ALA 37 N 2.05 3.27 -0.36 3.13 0.00 -1.26 0.13 121.76 128.72 1x4e s ALA 37 Ca 0.07 0.44 -0.29 0.00 0.00 0.00 0.00 51.96 52.18 1x4e s ALA 37 Cb -0.16 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.61 1x4e s ALA 37 CO -0.27 -0.37 1.53 0.42 0.00 0.00 0.00 175.76 177.07 1x4e s ILE 38 N 1.39 3.78 0.24 0.00 -1.09 0.11 -4.91 121.20 120.72 1x4e s ILE 38 Ca 0.49 0.82 0.09 0.00 -2.23 0.00 0.00 60.65 59.82 1x4e s ILE 38 Cb -0.20 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.64 1x4e s ILE 38 CO 0.23 -0.60 -0.02 -0.76 -1.23 0.00 0.00 174.94 172.57 1x4e s LEU 39 N 5.71 3.17 0.55 2.97 1.43 -1.26 -1.25 118.68 130.00 1x4e s LEU 39 Ca 0.67 -0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 53.05 1x4e s LEU 39 Cb -0.17 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 1x4e s LEU 39 CO 0.32 0.03 0.95 -1.81 0.23 0.00 0.00 176.35 176.06 1x4e s ASP 40 N -3.45 6.36 0.22 2.29 1.01 -1.26 -4.69 116.67 117.15 1x4e s ASP 40 Ca 0.30 1.33 0.23 0.00 0.71 0.00 0.00 52.55 55.12 1x4e s ASP 40 Cb -0.07 -2.42 0.17 0.00 1.01 0.00 0.00 42.92 41.60 1x4e s ASP 40 CO 0.19 -0.70 1.23 0.11 0.21 0.00 0.00 175.17 176.21 1x4e h LYS 41 N 0.25 0.00 0.00 8.23 6.56 -2.00 -2.48 116.57 127.13 1x4e h LYS 41 Ca -0.46 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.08 1x4e h LYS 41 Cb 1.19 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.84 1x4e h LYS 41 CO 0.62 0.00 -0.83 2.41 -2.06 0.00 0.00 179.45 179.59 1x4e n THR 42 N -2.59 1.46 -0.09 -0.16 -1.04 -1.26 -4.76 114.28 105.84 1x4e n THR 42 Ca 0.02 0.14 -0.19 0.00 -2.04 0.00 0.00 64.05 61.97 1x4e n THR 42 Cb 0.51 -2.32 -0.13 0.00 -1.82 0.00 0.00 70.33 66.58 1x4e n THR 42 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1x4e n THR 43 N -4.54 1.58 -2.06 12.58 -2.24 -1.26 -5.00 114.28 113.33 1x4e n THR 43 Ca -0.14 -0.59 -0.09 0.00 -2.27 0.00 0.00 64.05 60.96 1x4e n THR 43 Cb 0.41 -1.53 -0.01 0.00 -2.10 0.00 0.00 70.33 67.11 1x4e n THR 43 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1x4e n ASN 44 N -3.36 -3.25 -2.71 3.42 5.15 -0.93 -4.89 115.26 108.69 1x4e n ASN 44 Ca -0.42 0.02 -0.36 0.00 -0.60 0.00 0.00 54.58 53.22 1x4e n ASN 44 Cb 1.00 -2.42 0.03 0.00 -0.53 0.00 0.00 39.78 37.86 1x4e n ASN 44 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1x4e n LYS 45 N -1.97 2.64 -2.86 1.20 5.02 -1.26 -4.50 118.16 116.42 1x4e n LYS 45 Ca -0.11 -3.19 -0.02 0.00 -2.02 0.00 0.00 58.31 52.98 1x4e n LYS 45 Cb 0.55 -2.22 -0.02 0.00 -0.02 0.00 0.00 35.03 33.32 1x4e n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x4e h LYS 47 N 4.24 0.00 0.00 0.00 1.57 -1.45 -3.42 116.57 117.51 1x4e h LYS 47 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1x4e h LYS 47 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1x4e h LYS 47 CO 0.02 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.31 1x4e n GLY 48 N -1.62 1.62 3.14 3.86 0.00 -1.26 -4.95 105.19 105.99 1x4e n GLY 48 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.62 -0.17 0.08 1.61 2.02 -1.26 0.19 117.35 118.20 1x4e s TYR 49 Ca 0.00 0.36 0.06 0.00 -0.37 0.00 0.00 57.07 57.13 1x4e s TYR 49 Cb 0.00 0.05 -0.03 0.00 -0.40 0.00 0.00 41.96 41.58 1x4e s TYR 49 CO 0.00 -0.22 -0.17 0.20 -1.57 0.00 0.00 175.55 173.79 1x4e s GLY 50 N -0.57 1.02 0.07 0.71 0.00 0.81 -0.71 107.32 108.64 1x4e s GLY 50 Ca -0.07 -1.09 0.05 0.00 0.00 0.00 0.00 44.72 43.62 1x4e s GLY 50 CO 0.01 -1.10 -0.08 -0.12 0.00 0.00 0.00 173.10 171.82 1x4e s PHE 51 N -1.18 2.82 -0.22 1.90 2.19 0.12 -1.04 117.98 122.57 1x4e s PHE 51 Ca 0.02 -0.10 -0.04 0.00 0.33 0.00 0.00 56.93 57.14 1x4e s PHE 51 Cb -0.10 -1.51 0.12 0.00 -1.31 0.00 0.00 43.02 40.22 1x4e s PHE 51 CO 0.03 0.41 0.34 0.08 1.83 0.00 0.00 175.22 177.91 1x4e s VAL 52 N -1.15 -0.54 -0.13 3.12 1.01 -0.68 -1.49 120.40 120.55 1x4e s VAL 52 Ca 0.20 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 1x4e s VAL 52 Cb -0.11 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 1x4e s VAL 52 CO 0.12 -0.10 0.21 -1.81 0.00 0.00 0.00 175.10 173.52 1x4e s ASP 53 N 2.50 6.43 0.23 3.32 1.11 -0.63 0.01 116.67 129.64 1x4e s ASP 53 Ca 0.09 0.50 0.07 0.00 0.18 0.00 0.00 52.55 53.40 1x4e s ASP 53 Cb -0.15 -2.12 -0.04 0.00 1.07 0.00 0.00 42.92 41.68 1x4e s ASP 53 CO -0.14 0.29 0.12 -0.36 1.18 0.00 0.00 175.17 176.26 1x4e s PHE 54 N -0.46 3.01 -1.51 4.23 0.40 -0.39 -0.11 117.98 123.15 1x4e s PHE 54 Ca 0.15 -0.12 0.16 0.00 -0.60 0.00 0.00 56.93 56.53 1x4e s PHE 54 Cb -0.13 -1.38 0.84 0.00 0.51 0.00 0.00 43.02 42.87 1x4e s PHE 54 CO 0.04 0.54 1.46 -0.25 0.70 0.00 0.00 175.22 177.71 1x4e n ASP 55 N -0.85 0.00 -3.58 1.36 8.00 -0.82 -4.68 116.55 115.97 1x4e n ASP 55 Ca -0.08 -0.03 -0.17 0.00 0.71 0.00 0.00 54.79 55.23 1x4e n ASP 55 Cb 0.57 -0.25 -0.07 0.00 -0.02 0.00 0.00 41.12 41.36 1x4e n ASP 55 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1x4e s SER 56 N -2.49 -0.56 0.21 -2.24 0.01 -1.26 -5.06 113.70 102.31 1x4e s SER 56 Ca 0.17 0.64 -0.03 0.00 1.31 0.00 0.00 55.95 58.04 1x4e s SER 56 Cb 0.11 0.57 0.17 0.00 0.21 0.00 0.00 66.02 67.08 1x4e s SER 56 CO 0.24 -0.54 1.57 1.55 0.41 0.00 0.00 173.24 176.47 1x4e h PRO 57 N 3.38 0.60 0.00 12.44 0.13 -1.85 -2.75 132.00 143.96 1x4e h PRO 57 Ca -0.28 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1x4e h PRO 57 Cb 1.15 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1x4e h PRO 57 CO 0.36 0.91 0.00 -1.13 -0.23 0.00 0.00 178.00 177.92 1x4e n SER 58 N -4.02 0.52 -0.04 1.44 3.41 -1.26 -2.48 113.62 111.18 1x4e n SER 58 Ca -0.02 0.65 -0.22 0.00 -0.26 0.00 0.00 58.87 59.03 1x4e n SER 58 Cb 0.53 -0.75 -0.13 0.00 -0.26 0.00 0.00 64.21 63.60 1x4e n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x4e h ALA 59 N 2.23 0.32 -0.26 7.33 0.00 -1.84 -3.37 119.26 123.67 1x4e h ALA 59 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.65 1x4e h ALA 59 Cb 0.25 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1x4e h ALA 59 CO 0.00 0.97 0.16 0.00 0.00 0.00 0.00 179.25 180.39 1x4e h ALA 60 N -0.19 0.32 -1.06 0.00 0.00 -1.36 -2.37 119.26 114.61 1x4e h ALA 60 Ca -0.37 -0.01 0.29 0.00 0.00 0.00 0.00 54.91 54.81 1x4e h ALA 60 Cb 1.68 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 19.26 1x4e h ALA 60 CO -0.04 -0.21 0.65 1.96 0.00 0.00 0.00 179.25 181.61 1x4e h GLN 61 N 0.34 0.39 -0.96 0.00 4.20 -1.68 0.40 115.11 117.80 1x4e h GLN 61 Ca 0.10 -0.02 0.16 0.00 0.06 0.00 0.00 58.65 58.94 1x4e h GLN 61 Cb -0.03 -0.09 -0.08 0.00 0.30 0.00 0.00 27.48 27.58 1x4e h GLN 61 CO -0.03 0.26 0.61 -0.22 -0.67 0.00 0.00 178.83 178.78 1x4e h LYS 62 N 0.40 0.74 0.43 1.46 3.64 -1.58 -0.45 116.57 121.21 1x4e h LYS 62 Ca 0.66 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.97 1x4e h LYS 62 Cb 1.57 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 1x4e h LYS 62 CO -0.41 0.49 -0.21 0.00 -2.27 0.00 0.00 179.45 177.05 1x4e h ALA 63 N 1.60 -0.58 -0.72 5.00 0.00 -0.30 -2.93 119.26 121.32 1x4e h ALA 63 Ca 0.50 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.44 1x4e h ALA 63 Cb 0.77 0.22 -0.14 0.00 0.00 0.00 0.00 17.79 18.64 1x4e h ALA 63 CO -0.27 -0.54 -0.15 0.28 0.00 0.00 0.00 179.25 178.57 1x4e h VAL 64 N -1.14 0.29 0.04 0.00 2.07 -1.27 0.69 116.25 116.93 1x4e h VAL 64 Ca -0.06 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1x4e h VAL 64 Cb 0.44 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 1x4e h VAL 64 CO 0.10 0.00 -0.34 0.74 0.02 0.00 0.00 177.57 178.09 1x4e h THR 65 N 0.01 0.28 0.37 2.57 2.02 -1.18 -1.14 112.91 115.85 1x4e h THR 65 Ca 0.36 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.52 1x4e h THR 65 Cb 0.56 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1x4e h THR 65 CO -0.73 0.00 -0.18 0.00 0.37 0.00 0.00 175.52 174.98 1x4e h ALA 66 N 0.16 -0.79 -0.73 6.16 0.00 -1.01 -3.09 119.26 119.96 1x4e h ALA 66 Ca 0.05 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.94 1x4e h ALA 66 Cb 0.58 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.46 1x4e h ALA 66 CO -0.25 -0.76 -0.36 1.28 0.00 0.00 0.00 179.25 179.16 1x4e n LEU 67 N -3.85 -0.64 -0.30 0.00 4.77 0.23 0.22 117.00 117.43 1x4e n LEU 67 Ca -0.06 1.29 0.12 0.00 -0.03 0.00 0.00 56.01 57.33 1x4e n LEU 67 Cb 0.20 -0.22 0.29 0.00 -2.33 0.00 0.00 43.42 41.35 1x4e n LEU 67 CO 0.15 -1.10 1.06 0.11 -1.33 0.00 0.00 177.39 176.28 1x4e h LYS 68 N 0.00 0.43 0.00 3.23 1.57 -1.28 0.83 116.57 121.36 1x4e h LYS 68 Ca 0.18 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1x4e h LYS 68 Cb 0.36 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1x4e h LYS 68 CO -0.70 0.29 -0.10 0.00 -0.57 0.00 0.00 179.45 178.37 1x4e h ALA 69 N 1.68 1.06 0.00 3.86 0.00 0.27 -2.58 119.26 123.55 1x4e h ALA 69 Ca 0.54 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.21 1x4e h ALA 69 Cb 0.99 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1x4e h ALA 69 CO -0.50 0.12 -0.73 1.03 0.00 0.00 0.00 179.25 179.17 1x4e h SER 70 N 0.00 0.00 0.00 0.00 0.87 0.21 -3.47 113.55 111.15 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 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1x4e h SER 70 CO 0.01 0.73 0.00 0.61 -0.53 0.00 0.00 176.83 177.66 1x4e n GLY 71 N 0.96 1.68 3.30 5.77 0.00 -0.78 -5.10 105.19 111.02 1x4e n GLY 71 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 2.27 -0.50 1.61 0.11 -1.17 -5.05 120.40 115.68 1x4e s VAL 72 Ca 0.00 -0.99 -0.27 0.00 -2.93 0.00 0.00 61.98 57.79 1x4e s VAL 72 Cb 0.00 -1.84 -0.03 0.00 -1.53 0.00 0.00 36.38 32.98 1x4e s VAL 72 CO 0.00 0.57 1.97 -1.10 -3.33 0.00 0.00 175.10 173.21 1x4e s GLN 73 N -0.19 2.72 -0.16 1.54 -0.21 -1.26 -3.81 119.66 118.29 1x4e s GLN 73 Ca -0.02 1.05 -0.02 0.00 0.02 0.00 0.00 55.36 56.39 1x4e s GLN 73 Cb -0.13 -4.38 0.05 0.00 1.00 0.00 0.00 33.01 29.54 1x4e s GLN 73 CO 0.03 -2.59 -0.00 0.00 -2.12 0.00 0.00 175.29 170.61 1x4e s ALA 74 N 9.12 1.09 0.37 6.09 0.00 -1.26 -0.47 121.76 136.71 1x4e s ALA 74 Ca 0.78 -0.61 0.08 0.00 0.00 0.00 0.00 51.96 52.21 1x4e s ALA 74 Cb -0.17 -1.06 -0.07 0.00 0.00 0.00 0.00 23.12 21.82 1x4e s ALA 74 CO 0.26 -0.89 -0.04 1.14 0.00 0.00 0.00 175.76 176.23 1x4e s GLN 75 N 1.81 1.90 0.00 0.00 -2.07 -0.95 -4.77 119.66 115.57 1x4e s GLN 75 Ca 0.01 -2.00 -0.04 0.00 -1.82 0.00 0.00 55.36 51.51 1x4e s GLN 75 Cb -0.15 -1.69 -0.18 0.00 -1.09 0.00 0.00 33.01 29.89 1x4e s GLN 75 CO -0.07 0.06 2.87 -1.33 -1.32 0.00 0.00 175.29 175.50 1x4e n MET 76 N -0.88 1.54 -0.11 9.60 2.81 -1.26 -0.75 117.12 128.06 1x4e n MET 76 Ca -0.05 -0.67 0.01 0.00 -1.81 0.00 0.00 57.70 55.19 1x4e n MET 76 Cb 0.65 -1.73 -0.00 0.00 -0.71 0.00 0.00 33.22 31.42 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 2.33 -0.63 -2.03 3.04 0.00 -1.05 -4.78 120.51 117.38 1x4e n ALA 77 Ca 0.29 0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.55 1x4e n ALA 77 Cb 0.71 -0.18 0.03 0.00 0.00 0.00 0.00 19.45 20.01 1x4e n ALA 77 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1x4e s LYS 78 N -0.34 2.64 0.00 0.00 3.01 -1.26 -4.97 119.74 118.82 1x4e s LYS 78 Ca 0.00 -0.80 0.00 0.00 -1.01 0.00 0.00 55.97 54.16 1x4e s LYS 78 Cb 0.00 -2.53 0.00 0.00 -1.01 0.00 0.00 37.83 34.29 1x4e s LYS 78 CO 0.00 -0.60 0.00 0.94 0.51 0.00 0.00 175.35 176.20 1x4e n GLN 79 N -2.25 0.00 -3.19 1.68 7.27 -1.26 -5.06 117.38 114.57 1x4e n GLN 79 Ca 0.07 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.91 1x4e n GLN 79 Cb 0.59 -0.15 0.02 0.00 2.41 0.00 0.00 30.24 33.11 1x4e n GLN 79 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1x4e n SER 80 N -1.98 -5.39 -2.84 1.69 7.64 -1.26 -4.97 113.62 106.51 1x4e n SER 80 Ca 0.00 0.03 -0.02 0.00 1.01 0.00 0.00 58.87 59.90 1x4e n SER 80 Cb 0.00 -1.46 0.01 0.00 -1.01 0.00 0.00 64.21 61.76 1x4e n SER 80 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4e s GLY 81 N -1.18 -1.46 0.28 0.23 0.00 -1.26 -5.15 107.32 98.77 1x4e s GLY 81 Ca 0.23 0.22 -0.29 0.00 0.00 0.00 0.00 44.72 44.87 1x4e s GLY 81 CO 0.51 3.91 1.25 2.56 0.00 0.00 0.00 173.10 181.34 1x4e s PRO 82 N 1.28 4.44 0.26 2.90 0.04 -1.26 -5.05 135.00 137.62 1x4e s PRO 82 Ca 0.23 2.06 0.05 0.00 0.04 0.00 0.00 61.00 63.38 1x4e s PRO 82 Cb 0.03 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.37 1x4e s PRO 82 CO -0.08 -0.10 -0.03 -1.54 0.04 0.00 0.00 177.00 175.29 1x4e s SER 83 N -0.36 2.38 0.49 6.66 1.04 -1.26 -5.07 113.70 117.58 1x4e s SER 83 Ca 0.50 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1x4e s SER 83 Cb -0.37 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.66 1x4e s SER 83 CO 0.45 -0.43 0.00 -1.20 0.98 0.00 0.00 173.24 173.05 1x4e n SER 84 N -0.53 -9.30 0.00 7.02 7.64 -1.26 -5.23 113.62 111.96 1x4e n SER 84 Ca -0.05 1.34 0.00 0.00 1.01 0.00 0.00 58.87 61.17 1x4e n SER 84 Cb 0.64 -5.15 0.00 0.00 -1.01 0.00 0.00 64.21 58.69 1x4e n SER 84 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64