#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 -0.04 1.61 7.64 -1.26 -4.92 113.62 116.65 1x4e n SER 2 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1x4e n SER 2 Cb 0.00 0.05 -0.08 0.00 -1.01 0.00 0.00 64.21 63.17 1x4e n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x4e h SER 3 N 0.00 0.40 -4.08 6.43 0.02 -2.07 -3.45 113.55 110.80 1x4e h SER 3 Ca 0.00 -0.58 -0.37 0.00 -0.84 0.00 0.00 61.79 60.00 1x4e h SER 3 Cb 0.00 -0.12 -0.28 0.00 0.14 0.00 0.00 62.40 62.15 1x4e h SER 3 CO 0.00 0.91 -0.77 -0.83 -1.14 0.00 0.00 176.83 175.00 1x4e s GLY 4 N -3.64 0.42 0.09 -3.77 0.00 -1.26 -5.15 107.32 94.01 1x4e s GLY 4 Ca -0.14 -0.41 -0.20 0.00 0.00 0.00 0.00 44.72 43.97 1x4e s GLY 4 CO 0.77 -0.36 0.49 -1.35 0.00 0.00 0.00 173.10 172.65 1x4e s SER 5 N -0.36 -0.39 -0.02 1.64 1.04 -1.26 -4.74 113.70 109.61 1x4e s SER 5 Ca 0.02 -0.03 0.21 0.00 0.48 0.00 0.00 55.95 56.63 1x4e s SER 5 Cb -0.04 0.50 -0.28 0.00 0.10 0.00 0.00 66.02 66.30 1x4e s SER 5 CO -0.00 -0.81 0.63 -1.54 0.98 0.00 0.00 173.24 172.50 1x4e n SER 6 N 0.06 0.51 -4.71 7.02 3.41 -1.26 -4.23 113.62 114.42 1x4e n SER 6 Ca -0.17 -0.41 -0.42 0.00 -0.26 0.00 0.00 58.87 57.61 1x4e n SER 6 Cb 0.62 1.56 -0.03 0.00 -0.26 0.00 0.00 64.21 66.11 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 -3.80 2.30 0.06 5.00 0.00 -1.26 -1.33 107.32 108.30 1x4e s GLY 7 Ca -0.01 0.88 0.08 0.00 0.00 0.00 0.00 44.72 45.67 1x4e s GLY 7 CO 0.86 2.11 -0.21 1.08 0.00 0.00 0.00 173.10 176.94 1x4e s LEU 8 N 1.18 2.47 -0.32 0.66 1.43 0.14 -3.11 118.68 121.13 1x4e s LEU 8 Ca 0.60 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 53.16 1x4e s LEU 8 Cb -0.30 -1.42 0.10 0.00 0.03 0.00 0.00 46.19 44.60 1x4e s LEU 8 CO 0.29 0.24 0.11 -0.47 0.23 0.00 0.00 176.35 176.74 1x4e s TYR 9 N -0.94 1.88 -0.26 0.29 6.14 -0.12 -1.13 117.35 123.20 1x4e s TYR 9 Ca 0.14 -1.89 -0.11 0.00 0.64 0.00 0.00 57.07 55.85 1x4e s TYR 9 Cb -0.10 -1.82 -0.05 0.00 0.42 0.00 0.00 41.96 40.41 1x4e s TYR 9 CO 0.05 -0.88 0.20 0.42 0.64 0.00 0.00 175.55 175.99 1x4e s ILE 10 N 1.45 5.31 0.38 3.14 1.09 -0.05 -2.30 121.20 130.23 1x4e s ILE 10 Ca 0.11 0.22 0.06 0.00 -1.10 0.00 0.00 60.65 59.94 1x4e s ILE 10 Cb -0.18 -3.54 0.00 0.00 -1.06 0.00 0.00 42.46 37.68 1x4e s ILE 10 CO -0.22 0.28 0.54 -0.13 -0.10 0.00 0.00 174.94 175.31 1x4e s ARG 11 N 1.50 2.99 -0.17 2.79 0.52 0.45 0.20 118.95 127.23 1x4e s ARG 11 Ca 0.08 -1.03 -0.01 0.00 -0.52 0.00 0.00 55.73 54.26 1x4e s ARG 11 Cb -0.15 -2.76 -0.01 0.00 0.52 0.00 0.00 34.95 32.55 1x4e s ARG 11 CO 0.08 -0.12 0.15 0.41 0.02 0.00 0.00 175.30 175.85 1x4e n GLY 12 N -1.79 0.09 0.00 -3.53 0.00 0.30 -4.09 105.19 96.18 1x4e n GLY 12 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.52 0.00 -4.61 0.99 4.77 -0.90 -5.00 117.00 110.74 1x4e n LEU 13 Ca -0.01 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.74 1x4e n LEU 13 Cb 0.51 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 1x4e n LEU 13 CO 0.10 -0.05 -0.35 -1.10 -1.33 0.00 0.00 177.39 174.67 1x4e s GLN 14 N -0.08 2.15 0.29 3.23 -1.52 -1.26 -4.83 119.66 117.64 1x4e s GLN 14 Ca 0.00 -1.53 0.24 0.00 -1.95 0.00 0.00 55.36 52.13 1x4e s GLN 14 Cb 0.00 -2.06 1.02 0.00 -0.22 0.00 0.00 33.01 31.75 1x4e s GLN 14 CO 0.00 0.32 1.74 -1.00 -0.25 0.00 0.00 175.29 176.10 1x4e h PRO 15 N 1.94 0.00 -0.05 2.91 0.13 -1.84 -2.47 132.00 132.62 1x4e h PRO 15 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1x4e h PRO 15 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1x4e h PRO 15 CO 0.61 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 1x4e n GLY 16 N -0.03 0.59 3.74 1.56 0.00 -1.26 -4.45 105.19 105.34 1x4e n GLY 16 Ca 0.02 -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 -1.96 2.17 0.28 2.61 2.01 -0.93 -5.01 115.64 114.81 1x4e s THR 17 Ca 0.33 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.47 1x4e s THR 17 Cb 0.20 -3.09 -0.00 0.00 0.01 0.00 0.00 72.50 69.62 1x4e s THR 17 CO 0.31 0.02 0.00 0.35 -0.69 0.00 0.00 174.62 174.62 1x4e n THR 18 N 2.56 0.00 0.31 -0.82 -2.24 -1.26 -4.86 114.28 107.97 1x4e n THR 18 Ca 0.09 -1.33 -0.17 0.00 -2.27 0.00 0.00 64.05 60.38 1x4e n THR 18 Cb 0.37 0.28 -0.09 0.00 -2.10 0.00 0.00 70.33 68.80 1x4e n THR 18 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1x4e h ASP 19 N 0.69 -0.63 -0.33 3.42 2.03 -1.95 -3.07 116.42 116.58 1x4e h ASP 19 Ca -0.23 0.01 0.05 0.00 -0.73 0.00 0.00 57.03 56.13 1x4e h ASP 19 Cb 0.71 0.16 -0.05 0.00 -0.83 0.00 0.00 39.33 39.32 1x4e h ASP 19 CO 0.38 -0.44 0.04 1.56 -1.03 0.00 0.00 179.24 179.76 1x4e h GLN 20 N -0.77 0.14 -1.12 4.15 4.20 -1.97 -1.62 115.11 118.12 1x4e h GLN 20 Ca -0.08 -0.01 0.41 0.00 0.06 0.00 0.00 58.65 59.03 1x4e h GLN 20 Cb 0.58 -0.03 -0.16 0.00 0.30 0.00 0.00 27.48 28.18 1x4e h GLN 20 CO 0.13 0.10 0.66 0.22 -0.67 0.00 0.00 178.83 179.26 1x4e h ASP 21 N 0.15 0.34 -0.47 1.46 1.82 -1.94 1.28 116.42 119.05 1x4e h ASP 21 Ca 0.16 0.20 -0.11 0.00 -0.39 0.00 0.00 57.03 56.89 1x4e h ASP 21 Cb 0.19 0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.37 1x4e h ASP 21 CO -0.23 -0.28 -0.10 -0.07 -1.61 0.00 0.00 179.24 176.95 1x4e h LEU 22 N 0.10 0.94 -0.08 2.28 3.38 -1.22 -2.86 115.31 117.85 1x4e h LEU 22 Ca 0.82 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 58.51 1x4e h LEU 22 Cb 2.25 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 42.72 1x4e h LEU 22 CO -0.61 1.06 -0.06 0.58 0.09 0.00 0.00 178.44 179.49 1x4e h VAL 23 N 0.85 0.81 0.00 1.22 2.07 0.17 -0.51 116.25 120.86 1x4e h VAL 23 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1x4e h VAL 23 Cb 0.64 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1x4e h VAL 23 CO 0.04 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.74 1x4e h LYS 24 N -0.07 0.00 -0.36 1.57 6.56 -1.42 0.53 116.57 123.38 1x4e h LYS 24 Ca 0.06 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.59 1x4e h LYS 24 Cb 0.15 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.80 1x4e h LYS 24 CO -0.13 0.00 0.00 1.25 -2.06 0.00 0.00 179.45 178.51 1x4e h LEU 25 N 0.00 0.53 -2.59 2.94 5.85 -0.85 -3.31 115.31 117.88 1x4e h LEU 25 Ca 0.00 -0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.49 1x4e h LEU 25 Cb 0.18 -0.14 -0.26 0.00 0.37 0.00 0.00 40.66 40.81 1x4e h LEU 25 CO 0.00 0.59 -0.79 0.00 -0.34 0.00 0.00 178.44 177.90 1x4e h GLN 27 N 0.63 -0.87 0.00 0.00 4.15 -0.04 -2.77 115.11 116.20 1x4e h GLN 27 Ca -0.22 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.26 1x4e h GLN 27 Cb 1.70 0.20 0.00 0.00 0.21 0.00 0.00 27.48 29.59 1x4e h GLN 27 CO 0.03 -0.55 0.00 -0.35 -1.93 0.00 0.00 178.83 176.03 1x4e n PRO 28 N -5.42 0.49 -0.05 -2.39 -0.04 -1.26 -2.87 135.00 123.46 1x4e n PRO 28 Ca -0.13 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.12 1x4e n PRO 28 Cb 0.38 -1.36 -0.13 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.23 -0.11 0.54 -1.99 -1.86 -3.51 116.97 110.28 1x4e h TYR 29 Ca 0.00 -0.17 0.00 0.00 2.00 0.00 0.00 58.73 60.56 1x4e h TYR 29 Cb 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.72 1x4e h TYR 29 CO 0.00 1.55 0.00 0.41 -0.00 0.00 0.00 178.16 180.12 1x4e n GLY 30 N 1.65 2.17 3.57 3.88 0.00 -1.14 -4.97 105.19 110.35 1x4e n GLY 30 Ca -0.29 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 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 1.80 3.73 -0.30 1.61 2.20 -1.26 -4.75 119.74 122.76 1x4e s LYS 31 Ca 0.00 -0.01 -0.12 0.00 -0.36 0.00 0.00 55.97 55.48 1x4e s LYS 31 Cb 0.00 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 1x4e s LYS 31 CO 0.00 -0.60 0.23 0.42 -0.36 0.00 0.00 175.35 175.04 1x4e s ILE 32 N 2.45 5.28 -0.03 5.43 1.01 -1.26 -1.03 121.20 133.04 1x4e s ILE 32 Ca 0.20 0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.79 1x4e s ILE 32 Cb -0.15 -3.62 -0.09 0.00 0.01 0.00 0.00 42.46 38.61 1x4e s ILE 32 CO 0.13 0.14 0.66 0.58 0.00 0.00 0.00 174.94 176.45 1x4e h VAL 33 N 5.42 0.00 -2.50 2.92 2.07 -0.66 -3.46 116.25 120.03 1x4e h VAL 33 Ca -0.33 -0.56 -0.09 0.00 0.82 0.00 0.00 66.70 66.53 1x4e h VAL 33 Cb 1.17 0.00 -0.21 0.00 -1.52 0.00 0.00 31.29 30.73 1x4e h VAL 33 CO 0.59 0.00 -0.07 -0.55 0.02 0.00 0.00 177.57 177.56 1x4e s SER 34 N -4.85 -0.47 0.04 0.57 0.15 -1.18 -5.04 113.70 102.92 1x4e s SER 34 Ca -0.08 0.68 0.04 0.00 0.70 0.00 0.00 55.95 57.29 1x4e s SER 34 Cb 0.01 0.70 -0.04 0.00 -1.71 0.00 0.00 66.02 64.98 1x4e s SER 34 CO 0.25 -0.38 -0.06 0.42 1.20 0.00 0.00 173.24 174.67 1x4e s THR 35 N -0.61 3.66 -0.17 6.45 -4.23 -1.26 -1.73 115.64 117.76 1x4e s THR 35 Ca -0.07 -0.91 -0.05 0.00 -1.18 0.00 0.00 61.69 59.48 1x4e s THR 35 Cb -0.03 -2.65 0.06 0.00 1.34 0.00 0.00 72.50 71.22 1x4e s THR 35 CO 0.04 0.29 0.09 -0.75 -0.54 0.00 0.00 174.62 173.75 1x4e s LYS 36 N -1.74 0.06 -0.19 3.99 2.47 -0.75 -4.98 119.74 118.60 1x4e s LYS 36 Ca 0.20 -0.07 -0.23 0.00 -1.56 0.00 0.00 55.97 54.31 1x4e s LYS 36 Cb -0.11 -1.81 -0.02 0.00 -1.46 0.00 0.00 37.83 34.43 1x4e s LYS 36 CO 0.11 -0.67 0.72 0.00 0.16 0.00 0.00 175.35 175.66 1x4e s ALA 37 N 2.15 3.53 -0.21 3.13 0.00 -1.26 -0.02 121.76 129.08 1x4e s ALA 37 Ca 0.02 -0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.55 1x4e s ALA 37 Cb -0.16 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1x4e s ALA 37 CO -0.09 -0.60 1.56 0.42 0.00 0.00 0.00 175.76 177.05 1x4e s ILE 38 N 2.02 3.77 0.18 0.00 -1.09 -1.13 -4.96 121.20 119.99 1x4e s ILE 38 Ca 0.33 0.88 0.08 0.00 -2.23 0.00 0.00 60.65 59.71 1x4e s ILE 38 Cb -0.16 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 1x4e s ILE 38 CO 0.11 -0.29 -0.06 -0.76 -1.23 0.00 0.00 174.94 172.71 1x4e s LEU 39 N 4.90 3.08 0.89 2.97 1.43 -1.26 -1.48 118.68 129.22 1x4e s LEU 39 Ca 0.69 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 1x4e s LEU 39 Cb -0.24 -1.76 0.13 0.00 0.03 0.00 0.00 46.19 44.34 1x4e s LEU 39 CO 0.28 0.10 1.10 -1.81 0.23 0.00 0.00 176.35 176.25 1x4e s ASP 40 N -2.85 3.39 0.06 2.29 1.01 -1.26 -4.70 116.67 114.61 1x4e s ASP 40 Ca 0.26 1.78 0.06 0.00 0.71 0.00 0.00 52.55 55.36 1x4e s ASP 40 Cb -0.09 -2.40 -0.23 0.00 1.01 0.00 0.00 42.92 41.22 1x4e s ASP 40 CO 0.16 -2.73 1.05 0.50 0.21 0.00 0.00 175.17 174.36 1x4e h LYS 41 N -1.61 0.05 0.00 8.23 3.64 -2.00 -2.93 116.57 121.95 1x4e h LYS 41 Ca -0.47 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1x4e h LYS 41 Cb 1.27 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1x4e h LYS 41 CO 0.50 0.90 -0.30 2.41 -2.27 0.00 0.00 179.45 180.69 1x4e n THR 42 N -3.30 0.52 0.03 1.00 -1.04 -1.26 -4.68 114.28 105.56 1x4e n THR 42 Ca -0.07 0.38 -0.15 0.00 -2.04 0.00 0.00 64.05 62.17 1x4e n THR 42 Cb 0.99 -1.81 -0.05 0.00 -1.82 0.00 0.00 70.33 67.64 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 -0.36 1.33 -4.69 12.58 1.35 -1.99 -3.47 112.91 117.67 1x4e h THR 43 Ca 0.00 -2.18 -0.40 0.00 -0.55 0.00 0.00 66.41 63.27 1x4e h THR 43 Cb 0.30 2.20 0.05 0.00 -1.73 0.00 0.00 68.15 68.96 1x4e h THR 43 CO 0.00 0.67 -0.61 -3.20 -0.25 0.00 0.00 175.52 172.13 1x4e n ASN 44 N -3.85 -5.83 -2.33 5.36 2.85 -1.11 -4.87 115.26 105.49 1x4e n ASN 44 Ca -0.07 -0.32 -0.32 0.00 -0.11 0.00 0.00 54.58 53.76 1x4e n ASN 44 Cb 0.79 -4.71 0.05 0.00 1.24 0.00 0.00 39.78 37.14 1x4e n ASN 44 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1x4e n LYS 45 N -4.05 3.02 -1.61 1.20 2.85 -1.26 -4.47 118.16 113.84 1x4e n LYS 45 Ca -0.09 -3.67 0.00 0.00 -1.05 0.00 0.00 58.31 53.50 1x4e n LYS 45 Cb 0.61 -2.28 0.00 0.00 -0.65 0.00 0.00 35.03 32.71 1x4e n LYS 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1x4e h LYS 47 N 2.60 0.00 0.00 0.00 1.57 -1.54 -3.44 116.57 115.77 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 0.08 0.00 0.41 -0.57 0.00 0.00 179.45 179.37 1x4e n GLY 48 N 0.17 1.46 3.20 3.86 0.00 -1.26 -4.97 105.19 107.63 1x4e n GLY 48 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.72 1.01 -0.01 1.61 2.02 -1.26 0.11 117.35 119.11 1x4e s TYR 49 Ca 0.00 -0.91 -0.04 0.00 -0.37 0.00 0.00 57.07 55.75 1x4e s TYR 49 Cb 0.00 -0.57 0.00 0.00 -0.40 0.00 0.00 41.96 40.99 1x4e s TYR 49 CO 0.00 -0.13 0.09 0.20 -1.57 0.00 0.00 175.55 174.14 1x4e s GLY 50 N -3.09 0.03 0.02 0.71 0.00 0.13 -2.82 107.32 102.30 1x4e s GLY 50 Ca 0.15 -0.03 0.03 0.00 0.00 0.00 0.00 44.72 44.88 1x4e s GLY 50 CO -0.02 -0.11 -0.06 -0.12 0.00 0.00 0.00 173.10 172.79 1x4e s PHE 51 N -0.75 2.91 -0.24 1.90 2.19 0.98 -0.87 117.98 124.09 1x4e s PHE 51 Ca -0.08 -0.03 -0.02 0.00 0.33 0.00 0.00 56.93 57.12 1x4e s PHE 51 Cb -0.05 -1.60 0.13 0.00 -1.31 0.00 0.00 43.02 40.19 1x4e s PHE 51 CO 0.00 0.40 0.35 0.08 1.83 0.00 0.00 175.22 177.88 1x4e s VAL 52 N -1.05 -0.55 -0.13 3.12 1.01 -0.28 -1.81 120.40 120.71 1x4e s VAL 52 Ca 0.18 -0.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 1x4e s VAL 52 Cb -0.11 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 1x4e s VAL 52 CO 0.09 -0.17 0.30 -1.81 0.00 0.00 0.00 175.10 173.50 1x4e s ASP 53 N 2.50 6.50 0.29 3.32 1.01 -0.70 0.25 116.67 129.83 1x4e s ASP 53 Ca 0.11 0.59 0.07 0.00 0.71 0.00 0.00 52.55 54.03 1x4e s ASP 53 Cb -0.15 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 41.57 1x4e s ASP 53 CO -0.18 0.18 0.27 -0.36 0.21 0.00 0.00 175.17 175.29 1x4e s PHE 54 N 0.01 3.04 -1.16 4.23 0.40 -0.44 0.02 117.98 124.08 1x4e s PHE 54 Ca 0.18 -0.20 0.16 0.00 -0.60 0.00 0.00 56.93 56.47 1x4e s PHE 54 Cb -0.14 -1.63 0.71 0.00 0.51 0.00 0.00 43.02 42.47 1x4e s PHE 54 CO 0.06 0.32 1.48 -0.40 0.70 0.00 0.00 175.22 177.38 1x4e n ASP 55 N -1.32 0.00 -3.58 1.36 5.75 -0.20 -4.60 116.55 113.96 1x4e n ASP 55 Ca -0.05 0.34 -0.16 0.00 -0.01 0.00 0.00 54.79 54.92 1x4e n ASP 55 Cb 0.59 -0.42 -0.06 0.00 -1.03 0.00 0.00 41.12 40.19 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 -2.84 -0.50 0.13 -1.12 0.01 -1.26 -5.06 113.70 103.05 1x4e s SER 56 Ca 0.10 0.42 -0.12 0.00 1.31 0.00 0.00 55.95 57.66 1x4e s SER 56 Cb 0.10 0.48 -0.06 0.00 0.21 0.00 0.00 66.02 66.76 1x4e s SER 56 CO 0.27 -0.62 1.46 1.55 0.41 0.00 0.00 173.24 176.30 1x4e h PRO 57 N 3.07 0.87 0.00 12.44 0.13 -1.86 -2.82 132.00 143.83 1x4e h PRO 57 Ca -0.29 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.38 1x4e h PRO 57 Cb 1.17 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1x4e h PRO 57 CO 0.40 1.10 0.00 0.45 -0.23 0.00 0.00 178.00 179.72 1x4e n SER 58 N -4.12 0.52 -0.08 1.44 2.88 -1.26 -2.44 113.62 110.55 1x4e n SER 58 Ca -0.03 0.69 -0.20 0.00 -1.33 0.00 0.00 58.87 58.00 1x4e n SER 58 Cb 0.52 -0.78 -0.12 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 2.11 0.21 -0.49 -1.46 0.00 -1.85 -3.37 119.26 114.41 1x4e h ALA 59 Ca 0.00 -1.06 0.05 0.00 0.00 0.00 0.00 54.91 53.91 1x4e h ALA 59 Cb 0.14 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1x4e h ALA 59 CO 0.00 0.59 0.21 0.00 0.00 0.00 0.00 179.25 180.06 1x4e h ALA 60 N -0.32 0.62 -0.80 0.00 0.00 -1.35 -2.38 119.26 115.03 1x4e h ALA 60 Ca -0.27 0.04 0.18 0.00 0.00 0.00 0.00 54.91 54.86 1x4e h ALA 60 Cb 1.32 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 1x4e h ALA 60 CO -0.13 -0.16 -0.04 1.96 0.00 0.00 0.00 179.25 180.89 1x4e h GLN 61 N 0.42 0.07 -0.80 0.00 4.20 -1.66 0.40 115.11 117.74 1x4e h GLN 61 Ca 0.23 -0.00 0.15 0.00 0.06 0.00 0.00 58.65 59.08 1x4e h GLN 61 Cb 0.19 -0.01 -0.15 0.00 0.30 0.00 0.00 27.48 27.80 1x4e h GLN 61 CO -0.19 0.04 -0.27 -0.22 -0.67 0.00 0.00 178.83 177.52 1x4e h LYS 62 N 0.07 -0.04 0.42 1.46 3.64 -1.58 0.25 116.57 120.80 1x4e h LYS 62 Ca 0.43 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.80 1x4e h LYS 62 Cb 0.77 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1x4e h LYS 62 CO -0.74 -0.02 -0.30 0.00 -2.27 0.00 0.00 179.45 176.11 1x4e h ALA 63 N 1.56 -1.08 -0.79 5.00 0.00 -1.01 -2.45 119.26 120.49 1x4e h ALA 63 Ca 0.35 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.24 1x4e h ALA 63 Cb 0.59 0.46 -0.13 0.00 0.00 0.00 0.00 17.79 18.71 1x4e h ALA 63 CO -0.84 -1.07 -0.39 0.28 0.00 0.00 0.00 179.25 177.23 1x4e h VAL 64 N -0.69 0.07 -0.52 0.00 2.07 -1.17 0.70 116.25 116.71 1x4e h VAL 64 Ca -0.06 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.55 1x4e h VAL 64 Cb 0.57 0.07 -0.10 0.00 -1.52 0.00 0.00 31.29 30.31 1x4e h VAL 64 CO 0.03 0.00 -0.37 0.74 0.02 0.00 0.00 177.57 177.99 1x4e h THR 65 N -0.09 0.15 0.26 2.57 2.02 -0.88 0.56 112.91 117.50 1x4e h THR 65 Ca 0.27 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.44 1x4e h THR 65 Cb 0.57 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1x4e h THR 65 CO -0.83 0.00 -0.13 0.00 0.37 0.00 0.00 175.52 174.94 1x4e h ALA 66 N 0.76 -0.61 -0.72 6.16 0.00 -0.55 -3.24 119.26 121.06 1x4e h ALA 66 Ca 0.19 -0.08 0.25 0.00 0.00 0.00 0.00 54.91 55.27 1x4e h ALA 66 Cb 0.56 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.35 1x4e h ALA 66 CO -0.64 -0.59 0.19 1.28 0.00 0.00 0.00 179.25 179.49 1x4e n LEU 67 N -3.59 0.08 0.07 0.00 4.77 0.23 0.13 117.00 118.68 1x4e n LEU 67 Ca -0.04 1.21 -0.11 0.00 -0.03 0.00 0.00 56.01 57.03 1x4e n LEU 67 Cb 0.14 -0.51 -0.05 0.00 -2.33 0.00 0.00 43.42 40.67 1x4e n LEU 67 CO 0.10 -1.29 0.70 0.11 -1.33 0.00 0.00 177.39 175.68 1x4e h LYS 68 N 0.00 -0.38 0.00 3.23 1.57 -0.92 0.05 116.57 120.12 1x4e h LYS 68 Ca 0.52 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.33 1x4e h LYS 68 Cb 1.24 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.64 1x4e h LYS 68 CO -0.62 -0.25 0.00 0.00 -0.57 0.00 0.00 179.45 178.01 1x4e h ALA 69 N 0.43 1.00 0.00 3.86 0.00 0.11 -1.28 119.26 123.38 1x4e h ALA 69 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1x4e h ALA 69 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1x4e h ALA 69 CO -0.21 0.00 -0.53 1.03 0.00 0.00 0.00 179.25 179.54 1x4e h SER 70 N 0.00 0.00 0.00 0.00 0.87 -0.16 -3.47 113.55 110.79 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 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1x4e h SER 70 CO 0.00 0.53 0.00 0.61 -0.53 0.00 0.00 176.83 177.44 1x4e n GLY 71 N 0.22 1.46 3.58 5.77 0.00 -0.48 -5.10 105.19 110.64 1x4e n GLY 71 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 3.34 -0.68 1.61 0.11 -1.14 -5.06 120.40 116.58 1x4e s VAL 72 Ca 0.00 -1.43 -0.25 0.00 -2.93 0.00 0.00 61.98 57.37 1x4e s VAL 72 Cb 0.00 -2.61 0.05 0.00 -1.53 0.00 0.00 36.38 32.29 1x4e s VAL 72 CO 0.00 0.01 1.10 -1.10 -3.33 0.00 0.00 175.10 171.78 1x4e s GLN 73 N -2.51 3.19 -0.13 1.54 -0.21 -1.26 -4.11 119.66 116.17 1x4e s GLN 73 Ca 0.23 -0.47 0.01 0.00 0.02 0.00 0.00 55.36 55.15 1x4e s GLN 73 Cb -0.10 -4.18 0.02 0.00 1.00 0.00 0.00 33.01 29.75 1x4e s GLN 73 CO 0.15 -1.91 -0.15 0.00 -2.12 0.00 0.00 175.29 171.26 1x4e s ALA 74 N 4.77 1.78 0.29 6.09 0.00 -1.26 -0.41 121.76 133.03 1x4e s ALA 74 Ca 0.29 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.45 1x4e s ALA 74 Cb -0.12 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 1x4e s ALA 74 CO 0.14 -0.25 0.11 1.14 0.00 0.00 0.00 175.76 176.91 1x4e s GLN 75 N 1.27 1.54 -1.42 0.00 -2.07 -0.97 -4.84 119.66 113.18 1x4e s GLN 75 Ca -0.00 -1.86 -0.09 0.00 -1.82 0.00 0.00 55.36 51.59 1x4e s GLN 75 Cb -0.14 -0.31 0.06 0.00 -1.09 0.00 0.00 33.01 31.53 1x4e s GLN 75 CO -0.07 -0.35 2.41 -1.33 -1.32 0.00 0.00 175.29 174.64 1x4e n MET 76 N -0.57 3.90 -2.38 9.60 2.81 -1.26 -0.95 117.12 128.27 1x4e n MET 76 Ca -0.00 -3.02 -0.05 0.00 -1.81 0.00 0.00 57.70 52.82 1x4e n MET 76 Cb 0.66 -2.83 -0.01 0.00 -0.71 0.00 0.00 33.22 30.32 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 3.31 -0.82 -2.66 3.04 0.00 -1.18 -4.83 120.51 117.37 1x4e n ALA 77 Ca 0.60 -0.03 -0.39 0.00 0.00 0.00 0.00 53.44 53.63 1x4e n ALA 77 Cb 0.29 -0.65 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 1x4e n ALA 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1x4e s LYS 78 N -4.30 4.16 -0.63 0.00 0.00 -1.26 -5.03 119.74 112.68 1x4e s LYS 78 Ca 0.10 0.28 -0.09 0.00 0.00 0.00 0.00 55.97 56.26 1x4e s LYS 78 Cb -0.06 -3.56 0.16 0.00 0.00 0.00 0.00 37.83 34.37 1x4e s LYS 78 CO 0.13 -0.12 0.51 -1.14 0.00 0.00 0.00 175.35 174.73 1x4e s GLN 79 N 1.56 2.86 -0.73 1.78 0.74 -1.26 -5.03 119.66 119.58 1x4e s GLN 79 Ca 0.21 -2.19 -0.27 0.00 0.05 0.00 0.00 55.36 53.16 1x4e s GLN 79 Cb -0.15 -4.04 0.02 0.00 1.10 0.00 0.00 33.01 29.94 1x4e s GLN 79 CO 0.09 -1.22 1.42 0.45 -0.55 0.00 0.00 175.29 175.47 1x4e s SER 80 N 1.99 5.97 -0.63 6.67 0.15 -1.26 -4.93 113.70 121.66 1x4e s SER 80 Ca 0.12 -0.32 0.05 0.00 0.70 0.00 0.00 55.95 56.50 1x4e s SER 80 Cb -0.20 -2.55 0.16 0.00 -1.71 0.00 0.00 66.02 61.71 1x4e s SER 80 CO -0.04 -1.96 0.41 -0.83 1.20 0.00 0.00 173.24 172.03 1x4e s GLY 81 N 4.79 2.71 0.00 9.45 0.00 -1.26 -4.91 107.32 118.10 1x4e s GLY 81 Ca 0.43 -3.59 0.11 0.00 0.00 0.00 0.00 44.72 41.67 1x4e s GLY 81 CO 0.15 1.09 1.10 -1.55 0.00 0.00 0.00 173.10 173.90 1x4e n PRO 82 N 2.40 0.49 -0.29 2.90 -0.04 -1.26 -4.04 135.00 135.16 1x4e n PRO 82 Ca 0.15 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.67 1x4e n PRO 82 Cb 0.34 -1.36 0.14 0.00 -0.04 0.00 0.00 33.50 32.58 1x4e n PRO 82 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x4e n SER 83 N -0.86 -0.25 -3.59 3.54 2.88 -1.26 -4.69 113.62 109.39 1x4e n SER 83 Ca 0.08 1.38 -0.06 0.00 -1.33 0.00 0.00 58.87 58.94 1x4e n SER 83 Cb 0.04 -0.43 -0.03 0.00 -0.75 0.00 0.00 64.21 63.03 1x4e n SER 83 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4e s SER 84 N -5.17 -0.19 0.00 -3.46 1.04 -1.26 -5.35 113.70 99.32 1x4e s SER 84 Ca -0.12 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1x4e s SER 84 Cb 0.22 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.52 1x4e s SER 84 CO 0.63 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.21