#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4e n SER 2 N 0.00 0.00 -1.57 1.61 2.88 -1.26 -4.88 113.62 110.40 1x4e n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x4e n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1x4e n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x4e n SER 3 N 3.59 -8.51 0.00 -3.46 7.64 -1.26 -5.09 113.62 106.52 1x4e n SER 3 Ca 0.00 1.27 0.00 0.00 1.01 0.00 0.00 58.87 61.15 1x4e n SER 3 Cb 0.00 -4.76 0.00 0.00 -1.01 0.00 0.00 64.21 58.44 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 -1.01 0.91 3.61 0.23 0.00 -1.26 -5.15 105.19 102.52 1x4e n GLY 4 Ca 0.00 0.38 -0.01 0.00 0.00 0.00 0.00 46.02 46.39 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 2.00 -0.06 -0.01 1.61 0.01 -1.26 -5.03 113.70 110.95 1x4e s SER 5 Ca 0.00 -0.03 0.19 0.00 1.31 0.00 0.00 55.95 57.42 1x4e s SER 5 Cb 0.00 0.09 -0.26 0.00 0.21 0.00 0.00 66.02 66.06 1x4e s SER 5 CO 0.00 -0.15 0.58 -1.54 0.41 0.00 0.00 173.24 172.54 1x4e n SER 6 N -0.21 0.73 -4.72 2.44 3.41 -1.26 -4.26 113.62 109.74 1x4e n SER 6 Ca -0.02 -0.41 -0.42 0.00 -0.26 0.00 0.00 58.87 57.77 1x4e n SER 6 Cb 0.59 1.50 -0.03 0.00 -0.26 0.00 0.00 64.21 66.01 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 -3.58 2.74 0.21 5.00 0.00 -1.26 -1.60 107.32 108.83 1x4e s GLY 7 Ca -0.01 0.73 0.10 0.00 0.00 0.00 0.00 44.72 45.54 1x4e s GLY 7 CO 0.78 1.76 -0.14 1.08 0.00 0.00 0.00 173.10 176.58 1x4e s LEU 8 N 0.46 2.78 -0.29 0.66 1.43 0.14 -2.26 118.68 121.61 1x4e s LEU 8 Ca 0.53 -0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 52.84 1x4e s LEU 8 Cb -0.27 -1.43 0.10 0.00 0.03 0.00 0.00 46.19 44.62 1x4e s LEU 8 CO 0.31 0.08 0.12 -0.47 0.23 0.00 0.00 176.35 176.62 1x4e s TYR 9 N -1.92 0.55 -0.29 0.29 5.04 0.55 -2.07 117.35 119.50 1x4e s TYR 9 Ca 0.25 -1.00 -0.11 0.00 -2.44 0.00 0.00 57.07 53.77 1x4e s TYR 9 Cb -0.08 -1.03 -0.04 0.00 0.35 0.00 0.00 41.96 41.17 1x4e s TYR 9 CO 0.14 -0.83 0.18 0.42 -1.34 0.00 0.00 175.55 174.12 1x4e s ILE 10 N 2.02 5.14 0.48 3.14 1.09 -0.18 -2.21 121.20 130.68 1x4e s ILE 10 Ca 0.09 0.04 0.04 0.00 -1.10 0.00 0.00 60.65 59.72 1x4e s ILE 10 Cb -0.16 -3.48 0.02 0.00 -1.06 0.00 0.00 42.46 37.78 1x4e s ILE 10 CO -0.34 0.22 0.67 -0.13 -0.10 0.00 0.00 174.94 175.26 1x4e s ARG 11 N 1.73 2.73 -0.45 2.79 0.52 0.51 -0.01 118.95 126.77 1x4e s ARG 11 Ca 0.07 -0.94 -0.02 0.00 -0.52 0.00 0.00 55.73 54.32 1x4e s ARG 11 Cb -0.16 -2.62 -0.02 0.00 0.52 0.00 0.00 34.95 32.68 1x4e s ARG 11 CO 0.10 -0.46 0.41 0.41 0.02 0.00 0.00 175.30 175.77 1x4e n GLY 12 N -2.09 -0.45 0.00 -3.53 0.00 0.19 -4.24 105.19 95.06 1x4e n GLY 12 Ca 0.07 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.88 0.00 -4.59 0.99 4.77 -1.04 -5.00 117.00 110.25 1x4e n LEU 13 Ca -0.02 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.73 1x4e n LEU 13 Cb 0.53 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 1x4e n LEU 13 CO 0.28 -0.02 -0.37 -1.10 -1.33 0.00 0.00 177.39 174.85 1x4e s GLN 14 N 1.34 2.09 0.00 3.23 -1.52 -1.26 -4.87 119.66 118.66 1x4e s GLN 14 Ca 0.00 -1.55 0.14 0.00 -1.95 0.00 0.00 55.36 52.01 1x4e s GLN 14 Cb 0.00 -2.03 0.62 0.00 -0.22 0.00 0.00 33.01 31.38 1x4e s GLN 14 CO 0.00 0.34 1.45 -0.35 -0.25 0.00 0.00 175.29 176.48 1x4e n PRO 15 N -0.81 0.02 -0.07 2.91 -0.04 -1.26 -2.13 135.00 133.62 1x4e n PRO 15 Ca -0.06 0.25 0.10 0.00 -0.04 0.00 0.00 63.50 63.75 1x4e n PRO 15 Cb 0.59 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.68 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 -0.03 1.02 3.65 0.55 0.00 -1.26 -4.28 105.19 104.84 1x4e n GLY 16 Ca 0.04 -0.59 -0.48 0.00 0.00 0.00 0.00 46.02 44.98 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 1.16 0.52 -3.50 2.61 -1.04 -0.90 -4.96 114.28 108.17 1x4e n THR 17 Ca 0.14 -0.15 -0.23 0.00 -2.04 0.00 0.00 64.05 61.77 1x4e n THR 17 Cb 0.51 -1.90 0.02 0.00 -1.82 0.00 0.00 70.33 67.15 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 4.75 1.91 0.10 12.58 -4.23 -1.26 -4.90 115.64 124.59 1x4e s THR 18 Ca 0.95 -1.27 -0.21 0.00 -1.18 0.00 0.00 61.69 59.99 1x4e s THR 18 Cb -0.69 -2.18 -0.09 0.00 1.34 0.00 0.00 72.50 70.88 1x4e s THR 18 CO 0.51 0.00 1.72 0.44 -0.54 0.00 0.00 174.62 176.74 1x4e h ASP 19 N 0.51 0.19 -0.37 3.99 3.32 -1.95 -2.53 116.42 119.58 1x4e h ASP 19 Ca -0.34 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.63 1x4e h ASP 19 Cb 1.30 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.78 1x4e h ASP 19 CO 0.50 0.20 0.19 1.56 -1.72 0.00 0.00 179.24 179.97 1x4e h GLN 20 N 0.17 0.56 -0.68 3.56 7.50 -1.96 -1.97 115.11 122.29 1x4e h GLN 20 Ca 0.06 -0.06 0.08 0.00 0.50 0.00 0.00 58.65 59.22 1x4e h GLN 20 Cb 0.04 -0.11 -0.04 0.00 0.05 0.00 0.00 27.48 27.42 1x4e h GLN 20 CO -0.01 0.45 0.45 -0.44 -1.50 0.00 0.00 178.83 177.77 1x4e h ASP 21 N 0.57 0.55 -0.29 1.46 5.19 -1.84 -1.27 116.42 120.78 1x4e h ASP 21 Ca 0.14 0.01 -0.15 0.00 -0.62 0.00 0.00 57.03 56.41 1x4e h ASP 21 Cb 0.07 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 1x4e h ASP 21 CO -0.02 0.34 -0.40 -0.07 -3.12 0.00 0.00 179.24 175.97 1x4e h LEU 22 N 0.62 0.90 -0.74 1.55 3.38 -1.24 -2.46 115.31 117.32 1x4e h LEU 22 Ca 0.30 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1x4e h LEU 22 Cb 0.39 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1x4e h LEU 22 CO -0.10 1.18 0.36 0.58 0.09 0.00 0.00 178.44 180.55 1x4e h VAL 23 N 0.69 1.24 0.00 1.22 2.07 -1.19 -1.87 116.25 118.41 1x4e h VAL 23 Ca 0.05 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1x4e h VAL 23 Cb 0.97 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1x4e h VAL 23 CO 0.09 0.28 0.00 0.07 0.02 0.00 0.00 177.57 178.03 1x4e h LYS 24 N 1.04 0.00 -0.08 1.57 2.10 -1.34 0.58 116.57 120.44 1x4e h LYS 24 Ca 0.25 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.88 1x4e h LYS 24 Cb 0.11 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.44 1x4e h LYS 24 CO -0.03 0.00 -0.06 1.25 -2.00 0.00 0.00 179.45 178.60 1x4e h LEU 25 N 0.00 0.10 -2.52 7.07 5.85 -0.84 -3.29 115.31 121.68 1x4e h LEU 25 Ca 0.00 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.56 1x4e h LEU 25 Cb 0.61 -0.03 -0.26 0.00 0.37 0.00 0.00 40.66 41.35 1x4e h LEU 25 CO 0.00 0.19 -0.69 0.00 -0.34 0.00 0.00 178.44 177.59 1x4e h GLN 27 N 0.54 -0.81 0.00 0.00 4.15 0.10 -2.92 115.11 116.16 1x4e h GLN 27 Ca -0.37 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.11 1x4e h GLN 27 Cb 1.67 0.18 0.00 0.00 0.21 0.00 0.00 27.48 29.54 1x4e h GLN 27 CO -0.07 -0.50 0.00 -0.35 -1.93 0.00 0.00 178.83 175.98 1x4e n PRO 28 N -5.36 0.48 -0.07 -2.39 -0.04 -1.26 -3.00 135.00 123.36 1x4e n PRO 28 Ca -0.12 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.17 1x4e n PRO 28 Cb 0.36 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.08 -0.61 0.54 -1.99 -1.89 -3.50 116.97 109.59 1x4e h TYR 29 Ca 0.00 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.67 1x4e h TYR 29 Cb 0.00 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1x4e h TYR 29 CO 0.00 1.25 0.00 0.41 -0.00 0.00 0.00 178.16 179.82 1x4e n GLY 30 N 1.56 2.18 3.66 3.88 0.00 -1.16 -4.98 105.19 110.34 1x4e n GLY 30 Ca -0.20 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 1.04 4.29 -0.34 1.61 2.20 -1.26 -4.73 119.74 122.54 1x4e s LYS 31 Ca 0.00 1.22 -0.09 0.00 -0.36 0.00 0.00 55.97 56.73 1x4e s LYS 31 Cb 0.00 -3.61 0.02 0.00 -1.51 0.00 0.00 37.83 32.73 1x4e s LYS 31 CO 0.00 -0.48 0.16 0.42 -0.36 0.00 0.00 175.35 175.09 1x4e s ILE 32 N 2.68 4.40 -0.01 5.43 1.01 -1.26 -1.86 121.20 131.59 1x4e s ILE 32 Ca 0.42 -0.74 -0.22 0.00 0.00 0.00 0.00 60.65 60.11 1x4e s ILE 32 Cb -0.16 -3.37 -0.14 0.00 0.01 0.00 0.00 42.46 38.80 1x4e s ILE 32 CO 0.10 -0.10 0.97 0.58 0.00 0.00 0.00 174.94 176.49 1x4e h VAL 33 N 5.85 0.38 -3.01 2.92 2.07 -1.51 -3.46 116.25 119.48 1x4e h VAL 33 Ca -0.28 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.53 1x4e h VAL 33 Cb 1.12 0.58 -0.17 0.00 -1.52 0.00 0.00 31.29 31.30 1x4e h VAL 33 CO 0.64 0.08 -0.12 -0.55 0.02 0.00 0.00 177.57 177.63 1x4e s SER 34 N -4.97 -0.28 -0.03 0.57 0.15 -1.24 -5.04 113.70 102.86 1x4e s SER 34 Ca -0.12 0.02 0.06 0.00 0.70 0.00 0.00 55.95 56.61 1x4e s SER 34 Cb 0.01 0.41 -0.01 0.00 -1.71 0.00 0.00 66.02 64.72 1x4e s SER 34 CO 0.42 -0.64 -0.23 0.42 1.20 0.00 0.00 173.24 174.42 1x4e s THR 35 N -2.32 1.83 -0.12 6.45 -4.23 -1.26 -1.27 115.64 114.72 1x4e s THR 35 Ca -0.06 -0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 59.45 1x4e s THR 35 Cb -0.01 -1.53 0.04 0.00 1.34 0.00 0.00 72.50 72.34 1x4e s THR 35 CO -0.01 0.52 0.03 -0.75 -0.54 0.00 0.00 174.62 173.86 1x4e s LYS 36 N -0.36 0.48 -0.15 3.99 2.47 -1.00 -5.00 119.74 120.16 1x4e s LYS 36 Ca 0.04 -0.05 -0.16 0.00 -1.56 0.00 0.00 55.97 54.23 1x4e s LYS 36 Cb -0.11 -1.38 -0.04 0.00 -1.46 0.00 0.00 37.83 34.84 1x4e s LYS 36 CO 0.01 -0.46 0.41 0.00 0.16 0.00 0.00 175.35 175.47 1x4e s ALA 37 N 1.98 3.53 -0.37 3.13 0.00 -1.26 0.68 121.76 129.45 1x4e s ALA 37 Ca 0.03 -0.35 -0.29 0.00 0.00 0.00 0.00 51.96 51.35 1x4e s ALA 37 Cb -0.14 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.40 1x4e s ALA 37 CO -0.06 -0.06 1.45 0.42 0.00 0.00 0.00 175.76 177.51 1x4e s ILE 38 N 0.77 3.87 0.28 0.00 -1.09 -0.45 -4.94 121.20 119.65 1x4e s ILE 38 Ca 0.22 0.91 0.07 0.00 -2.23 0.00 0.00 60.65 59.62 1x4e s ILE 38 Cb -0.14 -4.10 -0.03 0.00 -1.58 0.00 0.00 42.46 36.60 1x4e s ILE 38 CO 0.08 -0.64 0.20 -0.76 -1.23 0.00 0.00 174.94 172.58 1x4e s LEU 39 N 5.42 3.69 0.66 2.97 1.43 -1.26 -1.79 118.68 129.80 1x4e s LEU 39 Ca 0.63 -0.36 -0.10 0.00 -1.03 0.00 0.00 54.13 53.27 1x4e s LEU 39 Cb -0.16 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.84 1x4e s LEU 39 CO 0.31 -0.12 1.03 -1.81 0.23 0.00 0.00 176.35 175.99 1x4e s ASP 40 N -3.86 5.56 0.10 2.29 1.01 -1.26 -4.58 116.67 115.92 1x4e s ASP 40 Ca 0.35 1.02 0.15 0.00 0.71 0.00 0.00 52.55 54.78 1x4e s ASP 40 Cb -0.07 -1.90 -0.11 0.00 1.01 0.00 0.00 42.92 41.84 1x4e s ASP 40 CO 0.25 -1.21 0.97 0.11 0.21 0.00 0.00 175.17 175.49 1x4e h LYS 41 N -0.47 0.00 0.00 8.23 1.57 -2.00 -2.95 116.57 120.95 1x4e h LYS 41 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1x4e h LYS 41 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1x4e h LYS 41 CO 0.63 0.41 -0.24 2.41 -0.57 0.00 0.00 179.45 182.09 1x4e n THR 42 N -3.01 0.61 -0.03 -0.16 -1.04 -1.26 -4.68 114.28 104.71 1x4e n THR 42 Ca -0.07 0.38 -0.15 0.00 -2.04 0.00 0.00 64.05 62.16 1x4e n THR 42 Cb 0.85 -1.88 -0.10 0.00 -1.82 0.00 0.00 70.33 67.38 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 -0.43 1.47 -0.30 12.58 1.35 -2.00 -3.48 112.91 122.11 1x4e h THR 43 Ca 0.00 -1.76 -0.06 0.00 -0.55 0.00 0.00 66.41 64.04 1x4e h THR 43 Cb 0.24 2.50 -0.01 0.00 -1.73 0.00 0.00 68.15 69.14 1x4e h THR 43 CO 0.00 0.49 -0.07 -3.20 -0.25 0.00 0.00 175.52 172.49 1x4e n ASN 44 N -4.50 -2.53 -0.01 5.36 2.85 -1.11 -4.94 115.26 110.38 1x4e n ASN 44 Ca -0.09 0.04 -0.00 0.00 -0.11 0.00 0.00 54.58 54.41 1x4e n ASN 44 Cb 0.48 -1.16 -0.00 0.00 1.24 0.00 0.00 39.78 40.34 1x4e n ASN 44 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1x4e h LYS 45 N 0.00 0.00 0.00 1.20 1.57 -1.84 -3.42 116.57 114.08 1x4e h LYS 45 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1x4e h LYS 45 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1x4e h LYS 45 CO 0.09 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.97 1x4e h LYS 47 N 0.00 0.00 0.00 0.00 1.57 -1.60 -3.43 116.57 113.12 1x4e h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x4e h LYS 47 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1x4e h LYS 47 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1x4e n GLY 48 N -1.82 1.48 3.02 3.86 0.00 -1.26 -4.97 105.19 105.50 1x4e n GLY 48 Ca 0.34 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.75 0.70 0.06 1.61 2.02 -1.26 0.55 117.35 119.28 1x4e s TYR 49 Ca 0.00 -0.20 0.07 0.00 -0.37 0.00 0.00 57.07 56.57 1x4e s TYR 49 Cb 0.00 -0.44 -0.03 0.00 -0.40 0.00 0.00 41.96 41.09 1x4e s TYR 49 CO 0.00 -0.02 -0.19 0.20 -1.57 0.00 0.00 175.55 173.97 1x4e s GLY 50 N -0.47 1.07 0.07 0.71 0.00 0.98 -1.34 107.32 108.36 1x4e s GLY 50 Ca 0.01 -1.06 0.05 0.00 0.00 0.00 0.00 44.72 43.72 1x4e s GLY 50 CO -0.00 -1.03 -0.06 -0.12 0.00 0.00 0.00 173.10 171.89 1x4e s PHE 51 N -0.95 2.85 -0.26 1.90 2.19 0.22 -1.01 117.98 122.92 1x4e s PHE 51 Ca 0.05 -0.09 -0.02 0.00 0.33 0.00 0.00 56.93 57.20 1x4e s PHE 51 Cb -0.09 -1.51 0.15 0.00 -1.31 0.00 0.00 43.02 40.26 1x4e s PHE 51 CO 0.02 0.43 0.43 0.08 1.83 0.00 0.00 175.22 178.02 1x4e s VAL 52 N -1.19 -0.70 0.12 3.12 1.01 -0.88 -2.38 120.40 119.49 1x4e s VAL 52 Ca 0.22 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.09 1x4e s VAL 52 Cb -0.11 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 1x4e s VAL 52 CO 0.14 -0.09 0.35 -1.81 0.00 0.00 0.00 175.10 173.68 1x4e s ASP 53 N 2.63 6.49 0.24 3.32 1.11 -0.40 0.27 116.67 130.31 1x4e s ASP 53 Ca 0.15 0.56 0.10 0.00 0.18 0.00 0.00 52.55 53.54 1x4e s ASP 53 Cb -0.15 -2.08 -0.05 0.00 1.07 0.00 0.00 42.92 41.71 1x4e s ASP 53 CO -0.17 0.08 -0.17 -0.36 1.18 0.00 0.00 175.17 175.73 1x4e s PHE 54 N -1.60 1.99 -0.37 4.23 0.40 -0.63 -1.48 117.98 120.52 1x4e s PHE 54 Ca 0.39 -0.45 0.24 0.00 -0.60 0.00 0.00 56.93 56.50 1x4e s PHE 54 Cb -0.12 -0.90 1.07 0.00 0.51 0.00 0.00 43.02 43.58 1x4e s PHE 54 CO 0.24 0.52 1.72 0.38 0.70 0.00 0.00 175.22 178.78 1x4e h ASP 55 N 2.48 0.00 -5.00 1.36 2.03 -1.70 -3.42 116.42 112.17 1x4e h ASP 55 Ca -0.39 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 55.80 1x4e h ASP 55 Cb 1.24 0.00 -0.19 0.00 -0.83 0.00 0.00 39.33 39.54 1x4e h ASP 55 CO 0.60 0.00 -0.24 -0.44 -1.03 0.00 0.00 179.24 178.13 1x4e s SER 56 N -4.27 -0.21 0.13 4.15 0.01 -1.26 -5.06 113.70 107.18 1x4e s SER 56 Ca 0.02 0.08 -0.12 0.00 1.31 0.00 0.00 55.95 57.24 1x4e s SER 56 Cb 0.09 0.33 -0.06 0.00 0.21 0.00 0.00 66.02 66.59 1x4e s SER 56 CO 0.35 -0.48 1.46 1.55 0.41 0.00 0.00 173.24 176.53 1x4e h PRO 57 N 3.71 0.88 0.00 12.44 0.13 -1.85 -2.81 132.00 144.50 1x4e h PRO 57 Ca -0.30 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 1x4e h PRO 57 Cb 1.18 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1x4e h PRO 57 CO 0.41 1.11 0.00 -1.13 -0.23 0.00 0.00 178.00 178.16 1x4e n SER 58 N -4.12 0.55 -0.01 1.44 3.41 -1.26 -2.44 113.62 111.19 1x4e n SER 58 Ca -0.03 0.68 -0.22 0.00 -0.26 0.00 0.00 58.87 59.05 1x4e n SER 58 Cb 0.53 -0.78 -0.13 0.00 -0.26 0.00 0.00 64.21 63.56 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 2.17 0.31 -0.67 7.33 0.00 -1.86 -3.37 119.26 123.17 1x4e h ALA 59 Ca 0.00 -1.26 0.01 0.00 0.00 0.00 0.00 54.91 53.66 1x4e h ALA 59 Cb 0.20 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1x4e h ALA 59 CO 0.00 1.03 0.44 0.00 0.00 0.00 0.00 179.25 180.72 1x4e h ALA 60 N -0.09 0.85 -0.84 0.00 0.00 -1.25 -2.58 119.26 115.35 1x4e h ALA 60 Ca -0.37 -0.05 0.20 0.00 0.00 0.00 0.00 54.91 54.69 1x4e h ALA 60 Cb 1.80 -0.27 -0.12 0.00 0.00 0.00 0.00 17.79 19.20 1x4e h ALA 60 CO 0.02 0.28 0.29 1.96 0.00 0.00 0.00 179.25 181.79 1x4e h GLN 61 N 0.91 0.30 -1.36 0.00 4.20 -1.67 0.36 115.11 117.85 1x4e h GLN 61 Ca 0.24 -0.02 0.40 0.00 0.06 0.00 0.00 58.65 59.33 1x4e h GLN 61 Cb -0.10 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 27.54 1x4e h GLN 61 CO -0.05 0.20 0.95 -0.22 -0.67 0.00 0.00 178.83 179.04 1x4e h LYS 62 N 0.31 0.07 0.06 1.46 3.64 -1.62 0.18 116.57 120.67 1x4e h LYS 62 Ca 0.51 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.89 1x4e h LYS 62 Cb 0.96 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1x4e h LYS 62 CO -0.56 0.05 -0.03 0.00 -2.27 0.00 0.00 179.45 176.64 1x4e h ALA 63 N 1.38 -0.08 -0.96 5.00 0.00 -0.42 -2.96 119.26 121.22 1x4e h ALA 63 Ca 0.69 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 55.52 1x4e h ALA 63 Cb 2.53 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 20.26 1x4e h ALA 63 CO -0.11 -0.09 0.58 0.28 0.00 0.00 0.00 179.25 179.91 1x4e h VAL 64 N -0.98 0.83 0.28 0.00 2.07 -0.97 0.53 116.25 118.02 1x4e h VAL 64 Ca -0.01 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1x4e h VAL 64 Cb 0.46 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1x4e h VAL 64 CO 0.01 0.16 -0.14 0.74 0.02 0.00 0.00 177.57 178.36 1x4e h THR 65 N 0.85 0.75 0.39 2.57 2.02 -0.84 -1.91 112.91 116.74 1x4e h THR 65 Ca 0.50 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.45 1x4e h THR 65 Cb 0.61 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1x4e h THR 65 CO -0.31 0.05 -0.19 0.00 0.37 0.00 0.00 175.52 175.44 1x4e h ALA 66 N 0.20 -0.72 -0.94 6.16 0.00 -1.22 -3.17 119.26 119.56 1x4e h ALA 66 Ca -0.04 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 54.91 1x4e h ALA 66 Cb 0.37 0.20 -0.16 0.00 0.00 0.00 0.00 17.79 18.20 1x4e h ALA 66 CO 0.06 -0.69 -0.34 1.28 0.00 0.00 0.00 179.25 179.57 1x4e n LEU 67 N -4.16 -0.54 -0.22 0.00 4.77 0.18 0.28 117.00 117.30 1x4e n LEU 67 Ca -0.06 1.63 -0.02 0.00 -0.03 0.00 0.00 56.01 57.53 1x4e n LEU 67 Cb 0.21 -0.40 0.04 0.00 -2.33 0.00 0.00 43.42 40.94 1x4e n LEU 67 CO 0.16 -1.49 0.68 0.11 -1.33 0.00 0.00 177.39 175.51 1x4e h LYS 68 N 0.00 -0.08 0.00 3.23 1.57 -1.42 0.92 116.57 120.80 1x4e h LYS 68 Ca 0.36 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.13 1x4e h LYS 68 Cb 0.59 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 1x4e h LYS 68 CO -0.94 -0.05 -0.04 0.00 -0.57 0.00 0.00 179.45 177.85 1x4e h ALA 69 N 1.35 1.19 0.00 3.86 0.00 -0.15 -1.54 119.26 123.98 1x4e h ALA 69 Ca 0.29 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1x4e h ALA 69 Cb 0.53 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1x4e h ALA 69 CO -0.70 0.05 -0.49 1.03 0.00 0.00 0.00 179.25 179.15 1x4e h SER 70 N 0.00 0.00 0.00 0.00 0.87 0.19 -3.47 113.55 111.14 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 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1x4e h SER 70 CO 0.01 0.49 0.00 0.61 -0.53 0.00 0.00 176.83 177.40 1x4e n GLY 71 N 0.21 1.85 3.28 5.77 0.00 -0.58 -5.10 105.19 110.62 1x4e n GLY 71 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 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 1.81 -0.65 1.61 0.11 -1.20 -5.06 120.40 115.02 1x4e s VAL 72 Ca 0.00 -1.24 -0.27 0.00 -2.93 0.00 0.00 61.98 57.54 1x4e s VAL 72 Cb 0.00 -1.56 0.01 0.00 -1.53 0.00 0.00 36.38 33.30 1x4e s VAL 72 CO 0.00 0.26 1.45 -1.10 -3.33 0.00 0.00 175.10 172.39 1x4e s GLN 73 N -1.17 3.11 -0.03 1.54 -0.21 -1.26 -4.05 119.66 117.60 1x4e s GLN 73 Ca 0.09 0.19 0.03 0.00 0.02 0.00 0.00 55.36 55.69 1x4e s GLN 73 Cb -0.09 -4.20 0.00 0.00 1.00 0.00 0.00 33.01 29.72 1x4e s GLN 73 CO 0.02 -2.20 -0.12 0.00 -2.12 0.00 0.00 175.29 170.87 1x4e s ALA 74 N 6.57 1.13 0.20 6.09 0.00 -1.26 -0.36 121.76 134.13 1x4e s ALA 74 Ca 0.48 -0.47 -0.06 0.00 0.00 0.00 0.00 51.96 51.91 1x4e s ALA 74 Cb -0.10 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 1x4e s ALA 74 CO 0.20 0.19 0.25 1.14 0.00 0.00 0.00 175.76 177.54 1x4e s GLN 75 N 0.14 1.25 -1.13 0.00 -2.07 -0.94 -4.87 119.66 112.04 1x4e s GLN 75 Ca -0.04 -1.40 -0.08 0.00 -1.82 0.00 0.00 55.36 52.02 1x4e s GLN 75 Cb -0.10 0.35 -0.13 0.00 -1.09 0.00 0.00 33.01 32.04 1x4e s GLN 75 CO 0.01 -0.45 2.99 -1.33 -1.32 0.00 0.00 175.29 175.19 1x4e n MET 76 N -0.27 3.06 -2.69 9.60 2.81 -1.26 -0.33 117.12 128.04 1x4e n MET 76 Ca -0.02 -1.79 -0.03 0.00 -1.81 0.00 0.00 57.70 54.04 1x4e n MET 76 Cb 0.64 -2.55 0.00 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 3.38 -1.82 -2.41 3.04 0.00 -0.96 -4.73 120.51 117.01 1x4e n ALA 77 Ca 0.65 0.03 -0.40 0.00 0.00 0.00 0.00 53.44 53.72 1x4e n ALA 77 Cb 0.38 -0.54 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 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 -0.92 3.06 -0.36 0.00 2.47 -1.26 -4.68 119.74 118.06 1x4e s LYS 78 Ca 0.03 -0.10 0.10 0.00 -1.56 0.00 0.00 55.97 54.45 1x4e s LYS 78 Cb -0.00 -4.35 0.38 0.00 -1.46 0.00 0.00 37.83 32.40 1x4e s LYS 78 CO 0.07 -2.34 1.42 0.00 0.16 0.00 0.00 175.35 174.66 1x4e n GLN 79 N 9.28 1.21 -3.59 4.03 10.64 -1.26 -5.10 117.38 132.59 1x4e n GLN 79 Ca 0.11 -1.43 -0.19 0.00 -1.83 0.00 0.00 57.00 53.65 1x4e n GLN 79 Cb 0.50 0.19 -0.15 0.00 -0.86 0.00 0.00 30.24 29.92 1x4e n GLN 79 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1x4e s SER 80 N -1.10 1.28 -0.21 2.61 0.15 -1.26 -5.14 113.70 110.03 1x4e s SER 80 Ca 0.14 -0.05 -0.28 0.00 0.70 0.00 0.00 55.95 56.46 1x4e s SER 80 Cb 0.40 0.22 0.13 0.00 -1.71 0.00 0.00 66.02 65.05 1x4e s SER 80 CO -0.10 -0.30 1.02 -0.83 1.20 0.00 0.00 173.24 174.23 1x4e s GLY 81 N 2.28 -0.20 -0.42 9.45 0.00 -1.26 -5.12 107.32 112.04 1x4e s GLY 81 Ca 0.04 2.34 -0.28 0.00 0.00 0.00 0.00 44.72 46.82 1x4e s GLY 81 CO -0.09 1.40 1.74 2.56 0.00 0.00 0.00 173.10 178.71 1x4e s PRO 82 N -0.51 3.19 -0.18 2.90 0.04 -1.26 -4.95 135.00 134.23 1x4e s PRO 82 Ca 0.00 1.12 -0.08 0.00 0.04 0.00 0.00 61.00 62.08 1x4e s PRO 82 Cb -0.02 -4.22 0.07 0.00 0.04 0.00 0.00 34.50 30.37 1x4e s PRO 82 CO -0.02 -2.04 0.40 -1.12 0.04 0.00 0.00 177.00 174.26 1x4e s SER 83 N 6.23 -0.37 0.59 6.66 0.01 -1.26 -5.12 113.70 120.45 1x4e s SER 83 Ca 0.73 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.90 1x4e s SER 83 Cb -0.18 0.98 0.00 0.00 0.21 0.00 0.00 66.02 67.03 1x4e s SER 83 CO 0.30 -0.21 0.00 -1.20 0.41 0.00 0.00 173.24 172.54 1x4e n SER 84 N 4.75 -8.57 0.00 2.44 7.64 -1.26 -5.28 113.62 113.34 1x4e n SER 84 Ca -0.17 1.82 0.00 0.00 1.01 0.00 0.00 58.87 61.53 1x4e n SER 84 Cb 0.53 -5.18 0.00 0.00 -1.01 0.00 0.00 64.21 58.54 1x4e n SER 84 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64