#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 -2.63 -3.44 1.61 2.88 -1.26 -4.71 113.62 106.07 1x4e n SER 2 Ca 0.00 1.26 -0.49 0.00 -1.33 0.00 0.00 58.87 58.31 1x4e n SER 2 Cb 0.00 -4.62 -0.08 0.00 -0.75 0.00 0.00 64.21 58.77 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 1.48 0.84 -3.64 -3.46 7.64 -1.26 -4.88 113.62 110.34 1x4e n SER 3 Ca -0.27 0.82 -0.04 0.00 1.01 0.00 0.00 58.87 60.39 1x4e n SER 3 Cb 0.42 -0.65 -0.06 0.00 -1.01 0.00 0.00 64.21 62.90 1x4e n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4e s GLY 4 N 2.53 0.20 0.17 0.23 0.00 -1.26 -5.18 107.32 104.02 1x4e s GLY 4 Ca 0.79 3.19 -0.12 0.00 0.00 0.00 0.00 44.72 48.58 1x4e s GLY 4 CO 0.59 1.69 0.36 -0.56 0.00 0.00 0.00 173.10 175.17 1x4e s SER 5 N -0.26 -0.05 0.00 1.64 0.01 -1.26 -4.99 113.70 108.78 1x4e s SER 5 Ca 0.07 -0.74 0.14 0.00 1.31 0.00 0.00 55.95 56.73 1x4e s SER 5 Cb -0.04 0.48 -0.08 0.00 0.21 0.00 0.00 66.02 66.59 1x4e s SER 5 CO -0.12 -0.94 0.68 -1.54 0.41 0.00 0.00 173.24 171.74 1x4e n SER 6 N -0.25 1.04 -4.74 2.44 3.41 -1.26 -4.24 113.62 110.03 1x4e n SER 6 Ca -0.08 -1.02 -0.40 0.00 -0.26 0.00 0.00 58.87 57.10 1x4e n SER 6 Cb 0.63 0.76 -0.05 0.00 -0.26 0.00 0.00 64.21 65.29 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 -2.07 2.85 0.30 5.00 0.00 -1.26 -0.82 107.32 111.33 1x4e s GLY 7 Ca 0.08 0.38 0.10 0.00 0.00 0.00 0.00 44.72 45.28 1x4e s GLY 7 CO 0.48 1.24 -0.07 1.08 0.00 0.00 0.00 173.10 175.83 1x4e s LEU 8 N 0.06 2.89 -0.30 0.66 1.43 0.14 -2.75 118.68 120.82 1x4e s LEU 8 Ca 0.42 -0.93 -0.02 0.00 -1.03 0.00 0.00 54.13 52.57 1x4e s LEU 8 Cb -0.21 -1.33 0.12 0.00 0.03 0.00 0.00 46.19 44.80 1x4e s LEU 8 CO 0.25 -0.09 0.23 -0.47 0.23 0.00 0.00 176.35 176.51 1x4e s TYR 9 N -2.47 -0.10 -0.29 0.29 6.14 0.57 -2.44 117.35 119.05 1x4e s TYR 9 Ca 0.32 -0.54 -0.13 0.00 0.64 0.00 0.00 57.07 57.35 1x4e s TYR 9 Cb -0.03 -0.65 -0.04 0.00 0.42 0.00 0.00 41.96 41.67 1x4e s TYR 9 CO 0.18 -0.89 0.30 0.42 0.64 0.00 0.00 175.55 176.20 1x4e s ILE 10 N 2.15 5.22 0.50 3.14 1.09 -0.12 -2.16 121.20 131.03 1x4e s ILE 10 Ca 0.10 0.32 0.03 0.00 -1.10 0.00 0.00 60.65 60.00 1x4e s ILE 10 Cb -0.15 -3.66 0.02 0.00 -1.06 0.00 0.00 42.46 37.61 1x4e s ILE 10 CO -0.31 0.14 0.71 -0.13 -0.10 0.00 0.00 174.94 175.25 1x4e s ARG 11 N 1.94 2.70 -0.66 2.79 0.52 0.69 0.12 118.95 127.05 1x4e s ARG 11 Ca 0.11 -0.83 -0.02 0.00 -0.52 0.00 0.00 55.73 54.47 1x4e s ARG 11 Cb -0.16 -2.57 -0.02 0.00 0.52 0.00 0.00 34.95 32.72 1x4e s ARG 11 CO 0.11 -0.53 0.60 0.41 0.02 0.00 0.00 175.30 175.91 1x4e n GLY 12 N -2.18 -0.90 0.00 -3.53 0.00 0.18 -4.18 105.19 94.59 1x4e n GLY 12 Ca 0.07 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.06 0.00 -4.85 0.99 4.77 -0.72 -4.97 117.00 110.16 1x4e n LEU 13 Ca -0.02 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.71 1x4e n LEU 13 Cb 0.53 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 1x4e n LEU 13 CO 0.42 -0.13 -0.16 -1.10 -1.33 0.00 0.00 177.39 175.09 1x4e s GLN 14 N 0.06 3.06 0.00 3.23 -0.21 -1.26 -4.89 119.66 119.65 1x4e s GLN 14 Ca 0.00 -0.86 0.15 0.00 0.02 0.00 0.00 55.36 54.67 1x4e s GLN 14 Cb 0.00 -2.71 0.85 0.00 1.00 0.00 0.00 33.01 32.15 1x4e s GLN 14 CO 0.00 0.46 1.37 -0.35 -2.12 0.00 0.00 175.29 174.66 1x4e n PRO 15 N -0.71 0.36 0.00 2.91 -0.04 -1.26 -2.16 135.00 134.10 1x4e n PRO 15 Ca -0.08 0.07 0.05 0.00 -0.04 0.00 0.00 63.50 63.49 1x4e n PRO 15 Cb 0.56 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.06 3.56 0.55 0.00 -1.26 -4.20 105.19 103.86 1x4e n GLY 16 Ca 0.10 -0.28 -0.56 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.17 0.21 -3.52 2.61 -1.04 -0.92 -4.94 114.28 105.51 1x4e n THR 17 Ca 0.02 -0.11 -0.24 0.00 -2.04 0.00 0.00 64.05 61.69 1x4e n THR 17 Cb 0.16 -1.21 0.03 0.00 -1.82 0.00 0.00 70.33 67.49 1x4e n THR 17 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1x4e n THR 18 N 5.69 0.00 0.06 12.58 -2.24 -1.26 -4.85 114.28 124.26 1x4e n THR 18 Ca 0.36 -2.12 -0.06 0.00 -2.27 0.00 0.00 64.05 59.95 1x4e n THR 18 Cb 0.12 -0.23 -0.04 0.00 -2.10 0.00 0.00 70.33 68.09 1x4e n THR 18 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1x4e h ASP 19 N 0.42 -0.59 -0.81 3.42 3.32 -1.93 -2.46 116.42 117.78 1x4e h ASP 19 Ca -0.32 0.06 0.14 0.00 0.02 0.00 0.00 57.03 56.93 1x4e h ASP 19 Cb 1.29 0.21 -0.09 0.00 0.22 0.00 0.00 39.33 40.96 1x4e h ASP 19 CO 0.49 -0.22 0.39 1.56 -1.72 0.00 0.00 179.24 179.74 1x4e h GLN 20 N -0.30 0.55 -1.44 3.56 7.50 -1.97 0.22 115.11 123.23 1x4e h GLN 20 Ca -0.01 -0.03 0.43 0.00 0.50 0.00 0.00 58.65 59.54 1x4e h GLN 20 Cb 0.30 -0.12 -0.09 0.00 0.05 0.00 0.00 27.48 27.61 1x4e h GLN 20 CO -0.09 0.36 0.99 0.22 -1.50 0.00 0.00 178.83 178.81 1x4e h ASP 21 N 0.57 0.14 -0.17 1.46 1.82 -1.83 0.67 116.42 119.08 1x4e h ASP 21 Ca 0.44 0.06 -0.11 0.00 -0.39 0.00 0.00 57.03 57.03 1x4e h ASP 21 Cb 0.63 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.69 1x4e h ASP 21 CO -0.37 -0.06 -0.33 -0.07 -1.61 0.00 0.00 179.24 176.80 1x4e h LEU 22 N 0.08 0.58 -0.89 2.28 3.38 -0.75 -2.99 115.31 117.01 1x4e h LEU 22 Ca 0.76 -0.55 0.13 0.00 0.09 0.00 0.00 57.88 58.31 1x4e h LEU 22 Cb 2.70 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 43.20 1x4e h LEU 22 CO -0.19 1.02 0.50 0.58 0.09 0.00 0.00 178.44 180.44 1x4e h VAL 23 N 0.16 0.81 0.00 1.22 2.07 0.32 0.24 116.25 121.06 1x4e h VAL 23 Ca 0.01 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1x4e h VAL 23 Cb 0.93 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1x4e h VAL 23 CO 0.07 0.14 -0.13 0.11 0.02 0.00 0.00 177.57 177.78 1x4e h LYS 24 N 0.75 0.00 -0.55 1.57 1.57 -1.46 0.69 116.57 119.13 1x4e h LYS 24 Ca 0.46 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.30 1x4e h LYS 24 Cb 0.58 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1x4e h LYS 24 CO -0.32 0.13 0.37 1.25 -0.57 0.00 0.00 179.45 180.31 1x4e h LEU 25 N 0.00 0.47 -2.95 2.94 5.85 -0.36 -3.24 115.31 118.02 1x4e h LEU 25 Ca -0.00 -0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 1x4e h LEU 25 Cb 0.60 -0.10 -0.32 0.00 0.37 0.00 0.00 40.66 41.20 1x4e h LEU 25 CO 0.02 0.31 -0.84 0.00 -0.34 0.00 0.00 178.44 177.59 1x4e h GLN 27 N 0.85 -0.87 0.00 0.00 4.15 0.37 -2.81 115.11 116.80 1x4e h GLN 27 Ca -0.32 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.16 1x4e h GLN 27 Cb 1.72 0.20 0.00 0.00 0.21 0.00 0.00 27.48 29.61 1x4e h GLN 27 CO -0.00 -0.55 0.00 -0.35 -1.93 0.00 0.00 178.83 176.00 1x4e n PRO 28 N -5.41 0.49 0.04 -2.39 -0.04 -1.26 -2.56 135.00 123.87 1x4e n PRO 28 Ca -0.13 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.18 1x4e n PRO 28 Cb 0.38 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 32.25 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 0.36 0.00 0.54 -1.99 -1.87 -3.50 116.97 110.51 1x4e h TYR 29 Ca 0.00 -0.26 0.00 0.00 2.00 0.00 0.00 58.73 60.47 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 1.37 0.00 0.41 -0.00 0.00 0.00 178.16 179.94 1x4e n GLY 30 N 1.70 -0.57 3.66 3.88 0.00 -1.06 -4.94 105.19 107.87 1x4e n GLY 30 Ca -0.19 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.25 4.28 -0.35 1.61 2.20 -1.26 -4.72 119.74 121.25 1x4e s LYS 31 Ca 0.00 1.15 -0.09 0.00 -0.36 0.00 0.00 55.97 56.67 1x4e s LYS 31 Cb 0.00 -3.60 0.03 0.00 -1.51 0.00 0.00 37.83 32.74 1x4e s LYS 31 CO 0.00 -0.45 0.15 0.42 -0.36 0.00 0.00 175.35 175.11 1x4e s ILE 32 N 2.55 4.22 0.01 5.43 1.01 -1.26 -2.12 121.20 131.03 1x4e s ILE 32 Ca 0.41 -0.89 -0.21 0.00 0.00 0.00 0.00 60.65 59.95 1x4e s ILE 32 Cb -0.16 -3.32 -0.12 0.00 0.01 0.00 0.00 42.46 38.87 1x4e s ILE 32 CO 0.10 -0.14 1.00 0.58 0.00 0.00 0.00 174.94 176.48 1x4e h VAL 33 N 5.96 0.00 -2.52 2.92 2.07 -1.16 -3.48 116.25 120.05 1x4e h VAL 33 Ca -0.26 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 1x4e h VAL 33 Cb 1.10 0.00 -0.22 0.00 -1.52 0.00 0.00 31.29 30.65 1x4e h VAL 33 CO 0.63 0.00 -0.10 -0.44 0.02 0.00 0.00 177.57 177.68 1x4e s SER 34 N -4.14 -0.50 -0.07 0.57 0.01 -1.22 -5.04 113.70 103.32 1x4e s SER 34 Ca -0.11 0.85 0.02 0.00 1.31 0.00 0.00 55.95 58.01 1x4e s SER 34 Cb 0.01 0.87 -0.03 0.00 0.21 0.00 0.00 66.02 67.09 1x4e s SER 34 CO 0.34 -0.27 -0.10 0.42 0.41 0.00 0.00 173.24 174.04 1x4e s THR 35 N -0.15 3.41 -0.28 1.44 -4.23 -1.26 -1.63 115.64 112.94 1x4e s THR 35 Ca -0.03 -0.58 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1x4e s THR 35 Cb -0.03 -2.38 0.09 0.00 1.34 0.00 0.00 72.50 71.51 1x4e s THR 35 CO 0.02 0.58 0.05 -0.75 -0.54 0.00 0.00 174.62 173.99 1x4e s LYS 36 N -0.61 1.02 -0.17 3.99 2.47 0.81 -4.98 119.74 122.27 1x4e s LYS 36 Ca 0.09 -1.09 -0.27 0.00 -1.56 0.00 0.00 55.97 53.14 1x4e s LYS 36 Cb -0.11 -2.33 -0.01 0.00 -1.46 0.00 0.00 37.83 33.92 1x4e s LYS 36 CO 0.02 -0.85 0.89 0.00 0.16 0.00 0.00 175.35 175.57 1x4e s ALA 37 N 1.49 3.52 -0.28 3.13 0.00 -1.26 -0.30 121.76 128.06 1x4e s ALA 37 Ca 0.05 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 51.84 1x4e s ALA 37 Cb -0.18 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 1x4e s ALA 37 CO -0.16 -0.71 1.62 0.42 0.00 0.00 0.00 175.76 176.93 1x4e s ILE 38 N 2.30 3.69 0.22 0.00 -1.09 -0.75 -4.94 121.20 120.63 1x4e s ILE 38 Ca 0.41 0.75 0.07 0.00 -2.23 0.00 0.00 60.65 59.64 1x4e s ILE 38 Cb -0.17 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 1x4e s ILE 38 CO 0.12 -0.40 0.15 -0.76 -1.23 0.00 0.00 174.94 172.83 1x4e s LEU 39 N 5.62 3.74 0.65 2.97 1.43 -1.26 -1.44 118.68 130.40 1x4e s LEU 39 Ca 0.71 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 53.48 1x4e s LEU 39 Cb -0.22 -2.31 0.01 0.00 0.03 0.00 0.00 46.19 43.69 1x4e s LEU 39 CO 0.31 0.01 1.01 -0.62 0.23 0.00 0.00 176.35 177.28 1x4e s ASP 40 N -3.53 5.59 -0.04 2.29 -1.08 -1.26 -4.53 116.67 114.10 1x4e s ASP 40 Ca 0.32 1.00 0.13 0.00 -0.52 0.00 0.00 52.55 53.47 1x4e s ASP 40 Cb -0.09 -1.91 -0.23 0.00 -1.46 0.00 0.00 42.92 39.24 1x4e s ASP 40 CO 0.24 -1.17 0.66 1.17 0.52 0.00 0.00 175.17 176.59 1x4e n LYS 41 N -2.80 0.63 -0.07 4.34 4.81 -1.26 -2.63 118.16 121.18 1x4e n LYS 41 Ca 0.06 0.30 -0.09 0.00 -0.87 0.00 0.00 58.31 57.71 1x4e n LYS 41 Cb 0.57 -1.79 -0.05 0.00 0.02 0.00 0.00 35.03 33.78 1x4e n LYS 41 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1x4e h THR 42 N 0.00 0.47 0.00 3.15 2.02 -2.06 -3.42 112.91 113.06 1x4e h THR 42 Ca -0.29 -1.46 -0.11 0.00 0.77 0.00 0.00 66.41 65.33 1x4e h THR 42 Cb 2.01 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 69.40 1x4e h THR 42 CO 0.08 0.16 -0.66 0.71 0.37 0.00 0.00 175.52 176.18 1x4e h THR 43 N -1.00 1.02 0.00 3.16 1.35 -2.00 -3.48 112.91 111.97 1x4e h THR 43 Ca -0.08 -2.00 0.00 0.00 -0.55 0.00 0.00 66.41 63.78 1x4e h THR 43 Cb 0.62 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 1x4e h THR 43 CO -0.05 0.35 0.00 -3.20 -0.25 0.00 0.00 175.52 172.37 1x4e n ASN 44 N -4.54 -0.06 0.11 5.36 5.15 -1.08 -4.92 115.26 115.29 1x4e n ASN 44 Ca -0.19 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.65 1x4e n ASN 44 Cb 0.51 -0.01 -0.08 0.00 -0.53 0.00 0.00 39.78 39.67 1x4e n ASN 44 CO 0.00 0.00 0.00 0.07 1.40 0.00 0.00 177.26 178.73 1x4e h LYS 45 N 3.20 -0.27 0.00 1.20 2.10 -1.83 -3.40 116.57 117.57 1x4e h LYS 45 Ca 0.00 0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1x4e h LYS 45 Cb 0.00 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 1x4e h LYS 45 CO 0.00 0.04 0.00 0.00 -2.00 0.00 0.00 179.45 177.49 1x4e h LYS 47 N 0.00 0.23 0.00 0.00 1.57 -1.48 -3.44 116.57 113.45 1x4e h LYS 47 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1x4e h LYS 47 Cb 0.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1x4e h LYS 47 CO 0.00 0.15 0.00 0.41 -0.57 0.00 0.00 179.45 179.44 1x4e n GLY 48 N -1.32 0.33 3.12 3.86 0.00 -1.26 -4.98 105.19 104.95 1x4e n GLY 48 Ca 0.33 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.03 0.89 0.04 1.61 2.02 -1.26 0.50 117.35 120.11 1x4e s TYR 49 Ca 0.00 -0.57 0.04 0.00 -0.37 0.00 0.00 57.07 56.17 1x4e s TYR 49 Cb 0.00 -0.51 -0.02 0.00 -0.40 0.00 0.00 41.96 41.03 1x4e s TYR 49 CO 0.00 -0.04 -0.13 0.20 -1.57 0.00 0.00 175.55 174.01 1x4e s GLY 50 N -1.97 0.73 -0.10 0.71 0.00 0.12 -1.81 107.32 104.99 1x4e s GLY 50 Ca -0.02 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 43.94 1x4e s GLY 50 CO 0.00 -0.76 -0.15 -0.12 0.00 0.00 0.00 173.10 172.07 1x4e s PHE 51 N -0.84 2.73 -0.09 1.90 2.19 0.58 -0.94 117.98 123.51 1x4e s PHE 51 Ca 0.01 -0.53 -0.03 0.00 0.33 0.00 0.00 56.93 56.71 1x4e s PHE 51 Cb -0.08 -1.75 0.04 0.00 -1.31 0.00 0.00 43.02 39.93 1x4e s PHE 51 CO 0.01 -0.10 0.06 0.08 1.83 0.00 0.00 175.22 177.10 1x4e s VAL 52 N -0.03 -0.03 -0.13 3.12 1.01 -1.02 -0.14 120.40 123.19 1x4e s VAL 52 Ca -0.04 0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 1x4e s VAL 52 Cb -0.14 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1x4e s VAL 52 CO 0.04 0.02 0.10 -1.81 0.00 0.00 0.00 175.10 173.46 1x4e s ASP 53 N 2.13 6.05 0.33 3.32 1.11 -0.65 0.26 116.67 129.23 1x4e s ASP 53 Ca 0.04 0.34 0.08 0.00 0.18 0.00 0.00 52.55 53.19 1x4e s ASP 53 Cb -0.14 -1.93 -0.04 0.00 1.07 0.00 0.00 42.92 41.88 1x4e s ASP 53 CO -0.05 0.36 0.15 -0.36 1.18 0.00 0.00 175.17 176.45 1x4e s PHE 54 N -0.75 2.74 -0.83 4.23 0.40 0.00 -0.66 117.98 123.11 1x4e s PHE 54 Ca 0.13 -0.36 0.21 0.00 -0.60 0.00 0.00 56.93 56.31 1x4e s PHE 54 Cb -0.12 -1.63 0.86 0.00 0.51 0.00 0.00 43.02 42.64 1x4e s PHE 54 CO 0.03 0.34 1.66 -0.40 0.70 0.00 0.00 175.22 177.54 1x4e n ASP 55 N -1.16 0.28 -3.71 1.36 5.75 -0.90 -4.65 116.55 113.52 1x4e n ASP 55 Ca -0.03 0.55 -0.14 0.00 -0.01 0.00 0.00 54.79 55.16 1x4e n ASP 55 Cb 0.61 -0.62 -0.08 0.00 -1.03 0.00 0.00 41.12 40.00 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 -3.52 -0.28 0.29 -1.12 0.01 -1.26 -5.05 113.70 102.77 1x4e s SER 56 Ca 0.08 0.21 0.08 0.00 1.31 0.00 0.00 55.95 57.63 1x4e s SER 56 Cb 0.12 0.36 0.45 0.00 0.21 0.00 0.00 66.02 67.15 1x4e s SER 56 CO 0.39 -0.48 1.68 1.55 0.41 0.00 0.00 173.24 176.79 1x4e h PRO 57 N 3.68 0.16 0.00 12.44 0.13 -1.86 -2.66 132.00 143.88 1x4e h PRO 57 Ca -0.29 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1x4e h PRO 57 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1x4e h PRO 57 CO 0.40 0.60 0.00 0.43 -0.23 0.00 0.00 178.00 179.20 1x4e n SER 58 N -3.98 0.56 -0.08 1.44 7.64 -1.26 -2.98 113.62 114.96 1x4e n SER 58 Ca -0.02 0.62 -0.22 0.00 1.01 0.00 0.00 58.87 60.27 1x4e n SER 58 Cb 0.51 -0.74 -0.12 0.00 -1.01 0.00 0.00 64.21 62.85 1x4e n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x4e h ALA 59 N 2.37 0.28 -1.00 -0.43 0.00 -1.85 -3.37 119.26 115.27 1x4e h ALA 59 Ca 0.00 -1.22 0.13 0.00 0.00 0.00 0.00 54.91 53.81 1x4e h ALA 59 Cb 0.40 0.71 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 1x4e h ALA 59 CO 0.00 0.80 0.63 0.00 0.00 0.00 0.00 179.25 180.68 1x4e h ALA 60 N -0.37 1.55 -0.61 0.00 0.00 -1.50 -1.56 119.26 116.77 1x4e h ALA 60 Ca -0.35 0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.68 1x4e h ALA 60 Cb 1.44 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.96 1x4e h ALA 60 CO -0.14 0.19 0.21 1.96 0.00 0.00 0.00 179.25 181.47 1x4e h GLN 61 N 0.96 0.36 -1.17 0.00 4.20 -1.71 -0.55 115.11 117.21 1x4e h GLN 61 Ca 0.50 -0.02 0.37 0.00 0.06 0.00 0.00 58.65 59.55 1x4e h GLN 61 Cb 0.53 -0.08 -0.12 0.00 0.30 0.00 0.00 27.48 28.10 1x4e h GLN 61 CO -0.27 0.24 0.74 -0.22 -0.67 0.00 0.00 178.83 178.65 1x4e h LYS 62 N 0.38 0.21 0.20 1.46 3.64 -1.44 0.20 116.57 121.22 1x4e h LYS 62 Ca 0.31 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1x4e h LYS 62 Cb 0.41 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1x4e h LYS 62 CO -0.33 0.14 -0.10 0.00 -2.27 0.00 0.00 179.45 176.89 1x4e h ALA 63 N 1.67 -0.27 -0.68 5.00 0.00 -1.19 -2.71 119.26 121.08 1x4e h ALA 63 Ca 0.74 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.54 1x4e h ALA 63 Cb 2.09 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.91 1x4e h ALA 63 CO -0.43 -0.35 0.29 0.28 0.00 0.00 0.00 179.25 179.03 1x4e h VAL 64 N -0.87 0.77 -0.11 0.00 2.07 -0.82 0.70 116.25 118.00 1x4e h VAL 64 Ca -0.03 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1x4e h VAL 64 Cb 0.51 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1x4e h VAL 64 CO 0.05 0.09 -0.01 0.74 0.02 0.00 0.00 177.57 178.45 1x4e h THR 65 N 0.48 0.92 0.21 2.57 2.02 -0.78 -1.18 112.91 117.15 1x4e h THR 65 Ca 0.35 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.51 1x4e h THR 65 Cb 0.43 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1x4e h THR 65 CO -0.32 0.00 -0.10 0.00 0.37 0.00 0.00 175.52 175.48 1x4e h ALA 66 N 1.09 -0.47 -0.91 6.16 0.00 -1.04 -3.27 119.26 120.82 1x4e h ALA 66 Ca 0.05 -0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.09 1x4e h ALA 66 Cb 0.06 0.11 -0.17 0.00 0.00 0.00 0.00 17.79 17.79 1x4e h ALA 66 CO -0.09 -0.45 -0.18 1.28 0.00 0.00 0.00 179.25 179.81 1x4e n LEU 67 N -3.66 -0.29 -0.25 0.00 4.77 0.24 0.10 117.00 117.91 1x4e n LEU 67 Ca -0.04 1.56 0.05 0.00 -0.03 0.00 0.00 56.01 57.56 1x4e n LEU 67 Cb 0.11 -0.49 0.16 0.00 -2.33 0.00 0.00 43.42 40.87 1x4e n LEU 67 CO 0.09 -1.52 0.84 0.11 -1.33 0.00 0.00 177.39 175.57 1x4e h LYS 68 N 0.00 0.11 0.00 3.23 1.57 -1.31 0.77 116.57 120.94 1x4e h LYS 68 Ca 0.46 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.19 1x4e h LYS 68 Cb 0.75 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1x4e h LYS 68 CO -0.92 0.08 -0.21 0.00 -0.57 0.00 0.00 179.45 177.82 1x4e h ALA 69 N 1.69 1.25 0.00 3.86 0.00 0.60 -2.47 119.26 124.19 1x4e h ALA 69 Ca 0.41 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1x4e h ALA 69 Cb 0.73 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1x4e h ALA 69 CO -0.65 0.27 -0.34 1.03 0.00 0.00 0.00 179.25 179.56 1x4e h SER 70 N 0.00 0.00 0.00 0.00 0.87 0.12 -3.46 113.55 111.07 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 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 1x4e h SER 70 CO 0.03 0.34 0.00 0.61 -0.53 0.00 0.00 176.83 177.27 1x4e n GLY 71 N -0.43 1.56 3.44 5.77 0.00 -0.90 -5.10 105.19 109.53 1x4e n GLY 71 Ca -0.02 0.00 -0.30 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 2.67 -0.69 1.61 0.11 -1.20 -5.06 120.40 115.83 1x4e s VAL 72 Ca 0.00 -1.29 -0.27 0.00 -2.93 0.00 0.00 61.98 57.49 1x4e s VAL 72 Cb 0.00 -2.13 0.02 0.00 -1.53 0.00 0.00 36.38 32.74 1x4e s VAL 72 CO 0.00 0.30 1.39 -1.10 -3.33 0.00 0.00 175.10 172.36 1x4e s GLN 73 N -1.53 3.12 -0.07 1.54 -1.52 -1.26 -4.13 119.66 115.81 1x4e s GLN 73 Ca 0.15 0.01 0.04 0.00 -1.95 0.00 0.00 55.36 53.61 1x4e s GLN 73 Cb -0.10 -4.20 -0.00 0.00 -0.22 0.00 0.00 33.01 28.48 1x4e s GLN 73 CO 0.05 -2.21 -0.21 0.00 -0.25 0.00 0.00 175.29 172.68 1x4e s ALA 74 N 6.34 1.87 0.22 6.09 0.00 -1.26 -0.23 121.76 134.79 1x4e s ALA 74 Ca 0.43 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.56 1x4e s ALA 74 Cb -0.09 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 1x4e s ALA 74 CO 0.18 0.28 0.12 1.14 0.00 0.00 0.00 175.76 177.48 1x4e s GLN 75 N 0.23 1.26 -0.10 0.00 -2.07 -0.92 -4.90 119.66 113.17 1x4e s GLN 75 Ca -0.12 -1.67 -0.00 0.00 -1.82 0.00 0.00 55.36 51.75 1x4e s GLN 75 Cb -0.15 0.13 0.07 0.00 -1.09 0.00 0.00 33.01 31.97 1x4e s GLN 75 CO 0.06 -0.37 1.99 -1.33 -1.32 0.00 0.00 175.29 174.31 1x4e n MET 76 N -0.33 1.25 -1.50 9.60 2.81 -1.26 -0.31 117.12 127.38 1x4e n MET 76 Ca 0.02 -0.49 0.09 0.00 -1.81 0.00 0.00 57.70 55.50 1x4e n MET 76 Cb 0.66 -1.19 -0.05 0.00 -0.71 0.00 0.00 33.22 31.93 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 1.12 -2.87 -1.67 3.04 0.00 -1.11 -4.67 120.51 114.34 1x4e n ALA 77 Ca 0.09 0.70 -0.30 0.00 0.00 0.00 0.00 53.44 53.94 1x4e n ALA 77 Cb 0.53 -1.51 0.18 0.00 0.00 0.00 0.00 19.45 18.65 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 -4.88 0.43 -0.16 0.00 -0.14 -1.26 -4.99 119.74 108.74 1x4e s LYS 78 Ca 0.00 -0.17 -0.34 0.00 -1.36 0.00 0.00 55.97 54.10 1x4e s LYS 78 Cb 0.00 -1.80 0.14 0.00 -1.68 0.00 0.00 37.83 34.49 1x4e s LYS 78 CO 0.00 -2.59 1.24 1.14 -0.76 0.00 0.00 175.35 174.37 1x4e s GLN 79 N -5.65 0.31 0.47 1.68 -2.07 -1.26 -5.14 119.66 108.00 1x4e s GLN 79 Ca 0.70 -0.13 -0.21 0.00 -1.82 0.00 0.00 55.36 53.91 1x4e s GLN 79 Cb -0.08 0.13 -0.08 0.00 -1.09 0.00 0.00 33.01 31.89 1x4e s GLN 79 CO 0.53 -0.14 1.04 0.45 -1.32 0.00 0.00 175.29 175.86 1x4e s SER 80 N -2.35 6.39 -0.70 12.60 0.15 -1.26 -5.02 113.70 123.52 1x4e s SER 80 Ca 0.11 1.95 0.03 0.00 0.70 0.00 0.00 55.95 58.74 1x4e s SER 80 Cb 0.00 -2.56 0.17 0.00 -1.71 0.00 0.00 66.02 61.92 1x4e s SER 80 CO -0.04 -0.75 0.49 -0.83 1.20 0.00 0.00 173.24 173.31 1x4e s GLY 81 N -1.90 2.85 -0.52 9.45 0.00 -1.26 -5.05 107.32 110.88 1x4e s GLY 81 Ca 0.66 -3.71 -0.27 0.00 0.00 0.00 0.00 44.72 41.40 1x4e s GLY 81 CO 0.21 1.09 1.81 2.56 0.00 0.00 0.00 173.10 178.77 1x4e s PRO 82 N -1.15 2.89 -0.22 2.90 0.04 -1.26 -4.97 135.00 133.23 1x4e s PRO 82 Ca 0.23 0.85 -0.06 0.00 0.04 0.00 0.00 61.00 62.07 1x4e s PRO 82 Cb -0.10 -4.31 -0.02 0.00 0.04 0.00 0.00 34.50 30.11 1x4e s PRO 82 CO -0.12 -2.41 0.02 0.45 0.04 0.00 0.00 177.00 174.98 1x4e s SER 83 N 7.23 4.87 -0.16 6.66 0.15 -1.26 -5.08 113.70 126.11 1x4e s SER 83 Ca 0.70 -0.22 -0.07 0.00 0.70 0.00 0.00 55.95 57.06 1x4e s SER 83 Cb -0.15 -1.85 0.07 0.00 -1.71 0.00 0.00 66.02 62.38 1x4e s SER 83 CO 0.25 0.02 0.36 -0.44 1.20 0.00 0.00 173.24 174.63 1x4e s SER 84 N 1.26 -0.16 0.00 5.45 0.01 -1.26 -5.35 113.70 113.65 1x4e s SER 84 Ca 0.04 0.82 0.14 0.00 1.31 0.00 0.00 55.95 58.26 1x4e s SER 84 Cb -0.15 0.96 0.11 0.00 0.21 0.00 0.00 66.02 67.15 1x4e s SER 84 CO 0.02 -0.22 0.93 0.61 0.41 0.00 0.00 173.24 174.99