#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 4.57 0.65 1.61 0.15 -1.26 -5.10 113.70 114.32 1x4e s SER 2 Ca 0.00 -2.36 -0.09 0.00 0.70 0.00 0.00 55.95 54.20 1x4e s SER 2 Cb 0.00 -1.57 0.01 0.00 -1.71 0.00 0.00 66.02 62.75 1x4e s SER 2 CO 0.00 -0.34 1.01 -0.55 1.20 0.00 0.00 173.24 174.56 1x4e s SER 3 N 0.62 5.60 0.00 5.45 0.15 -1.26 -5.08 113.70 119.18 1x4e s SER 3 Ca 0.13 1.00 0.00 0.00 0.70 0.00 0.00 55.95 57.78 1x4e s SER 3 Cb -0.21 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 1x4e s SER 3 CO -0.07 -1.17 0.00 0.61 1.20 0.00 0.00 173.24 173.81 1x4e n GLY 4 N -2.80 3.38 3.13 9.45 0.00 -1.26 -5.01 105.19 112.07 1x4e n GLY 4 Ca 0.06 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 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 1.45 0.55 0.00 1.61 0.01 -1.26 -4.91 113.70 111.15 1x4e s SER 5 Ca 0.00 -1.08 0.24 0.00 1.31 0.00 0.00 55.95 56.42 1x4e s SER 5 Cb 0.00 0.21 0.19 0.00 0.21 0.00 0.00 66.02 66.64 1x4e s SER 5 CO 0.00 -0.62 1.23 -1.54 0.41 0.00 0.00 173.24 172.72 1x4e n SER 6 N 0.01 2.24 -4.76 2.44 3.41 -1.26 -4.34 113.62 111.36 1x4e n SER 6 Ca -0.11 -1.62 -0.40 0.00 -0.26 0.00 0.00 58.87 56.48 1x4e n SER 6 Cb 0.62 0.26 -0.05 0.00 -0.26 0.00 0.00 64.21 64.77 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 -2.29 2.89 0.11 5.00 0.00 -1.26 -0.38 107.32 111.39 1x4e s GLY 7 Ca 0.23 0.37 0.09 0.00 0.00 0.00 0.00 44.72 45.42 1x4e s GLY 7 CO 0.46 1.06 -0.23 1.08 0.00 0.00 0.00 173.10 175.47 1x4e s LEU 8 N -0.53 2.30 -0.27 0.66 1.43 0.13 -2.81 118.68 119.59 1x4e s LEU 8 Ca 0.39 -0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1x4e s LEU 8 Cb -0.22 -1.01 0.09 0.00 0.03 0.00 0.00 46.19 45.07 1x4e s LEU 8 CO 0.26 0.11 0.07 -0.47 0.23 0.00 0.00 176.35 176.55 1x4e s TYR 9 N -1.11 1.48 -0.27 0.29 5.04 -0.28 -1.63 117.35 120.87 1x4e s TYR 9 Ca 0.09 -1.45 -0.10 0.00 -2.44 0.00 0.00 57.07 53.17 1x4e s TYR 9 Cb -0.10 -1.47 -0.04 0.00 0.35 0.00 0.00 41.96 40.70 1x4e s TYR 9 CO 0.05 -0.80 0.16 0.42 -1.34 0.00 0.00 175.55 174.04 1x4e s ILE 10 N 1.70 5.07 0.45 3.14 1.09 -0.23 -1.24 121.20 131.18 1x4e s ILE 10 Ca 0.06 0.09 0.04 0.00 -1.10 0.00 0.00 60.65 59.73 1x4e s ILE 10 Cb -0.17 -3.40 0.01 0.00 -1.06 0.00 0.00 42.46 37.84 1x4e s ILE 10 CO -0.20 0.28 0.64 -0.13 -0.10 0.00 0.00 174.94 175.43 1x4e s ARG 11 N 1.64 2.85 -0.54 2.79 0.52 0.53 -0.02 118.95 126.71 1x4e s ARG 11 Ca 0.07 -0.86 -0.02 0.00 -0.52 0.00 0.00 55.73 54.40 1x4e s ARG 11 Cb -0.16 -2.63 -0.02 0.00 0.52 0.00 0.00 34.95 32.66 1x4e s ARG 11 CO 0.09 -0.35 0.49 0.41 0.02 0.00 0.00 175.30 175.95 1x4e n GLY 12 N -2.03 -0.52 0.00 -3.53 0.00 0.32 -4.24 105.19 95.19 1x4e n GLY 12 Ca 0.05 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.09 0.00 -4.74 0.99 4.77 -0.90 -4.99 117.00 110.04 1x4e n LEU 13 Ca -0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.73 1x4e n LEU 13 Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 1x4e n LEU 13 CO 0.33 -0.08 -0.23 -1.10 -1.33 0.00 0.00 177.39 174.98 1x4e s GLN 14 N 1.31 2.53 0.52 3.23 -1.52 -1.26 -4.87 119.66 119.61 1x4e s GLN 14 Ca 0.00 -1.33 0.31 0.00 -1.95 0.00 0.00 55.36 52.38 1x4e s GLN 14 Cb 0.00 -2.31 1.28 0.00 -0.22 0.00 0.00 33.01 31.76 1x4e s GLN 14 CO 0.00 0.29 1.96 -1.00 -0.25 0.00 0.00 175.29 176.29 1x4e h PRO 15 N 1.63 0.00 -0.61 2.91 0.13 -1.89 -2.72 132.00 131.45 1x4e h PRO 15 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 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 0.08 0.00 0.41 -0.23 0.00 0.00 178.00 178.87 1x4e n GLY 16 N -0.04 2.76 3.62 1.56 0.00 -1.26 -3.89 105.19 107.94 1x4e n GLY 16 Ca 0.00 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.51 3.30 0.47 2.61 2.01 -1.03 -4.98 115.64 116.51 1x4e s THR 17 Ca 0.46 0.32 0.08 0.00 0.31 0.00 0.00 61.69 62.87 1x4e s THR 17 Cb 0.28 -3.33 0.03 0.00 0.01 0.00 0.00 72.50 69.48 1x4e s THR 17 CO 0.25 -0.17 0.61 0.42 -0.69 0.00 0.00 174.62 175.04 1x4e s THR 18 N 6.51 2.64 0.08 -0.82 -4.23 -1.26 -4.87 115.64 113.69 1x4e s THR 18 Ca 0.86 -1.06 -0.30 0.00 -1.18 0.00 0.00 61.69 60.01 1x4e s THR 18 Cb -0.30 -2.70 -0.13 0.00 1.34 0.00 0.00 72.50 70.70 1x4e s THR 18 CO 0.34 0.00 1.48 -0.78 -0.54 0.00 0.00 174.62 175.12 1x4e h ASP 19 N 0.55 -1.31 -0.96 3.99 3.58 -1.94 -1.87 116.42 118.46 1x4e h ASP 19 Ca -0.37 0.13 0.26 0.00 0.42 0.00 0.00 57.03 57.46 1x4e h ASP 19 Cb 1.28 0.47 -0.13 0.00 1.72 0.00 0.00 39.33 42.67 1x4e h ASP 19 CO 0.46 -0.52 0.49 1.56 -2.88 0.00 0.00 179.24 178.35 1x4e h GLN 20 N -0.74 0.42 -0.96 0.28 4.20 -1.96 0.45 115.11 116.81 1x4e h GLN 20 Ca -0.02 -0.03 0.21 0.00 0.06 0.00 0.00 58.65 58.87 1x4e h GLN 20 Cb 0.69 -0.09 -0.08 0.00 0.30 0.00 0.00 27.48 28.30 1x4e h GLN 20 CO -0.17 0.28 0.62 0.22 -0.67 0.00 0.00 178.83 179.10 1x4e h ASP 21 N 0.43 0.51 -0.15 1.46 1.82 -1.73 0.21 116.42 118.97 1x4e h ASP 21 Ca 0.63 0.06 -0.11 0.00 -0.39 0.00 0.00 57.03 57.23 1x4e h ASP 21 Cb 1.28 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 41.24 1x4e h ASP 21 CO -0.54 0.18 -0.26 -0.07 -1.61 0.00 0.00 179.24 176.94 1x4e h LEU 22 N 0.50 0.62 -0.43 2.28 3.38 0.07 -2.67 115.31 119.06 1x4e h LEU 22 Ca 0.52 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1x4e h LEU 22 Cb 1.16 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1x4e h LEU 22 CO -0.25 0.86 0.27 0.58 0.09 0.00 0.00 178.44 179.99 1x4e h VAL 23 N 0.53 1.13 0.00 1.22 2.07 -0.52 -1.73 116.25 118.95 1x4e h VAL 23 Ca 0.07 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1x4e h VAL 23 Cb 0.73 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1x4e h VAL 23 CO 0.06 0.13 -0.01 0.11 0.02 0.00 0.00 177.57 177.87 1x4e h LYS 24 N 0.57 0.00 -0.85 1.57 6.56 -1.38 0.57 116.57 123.61 1x4e h LYS 24 Ca 0.15 0.00 0.03 0.00 -1.06 0.00 0.00 60.65 59.78 1x4e h LYS 24 Cb -0.03 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.59 1x4e h LYS 24 CO -0.03 0.01 0.56 1.25 -2.06 0.00 0.00 179.45 179.18 1x4e h LEU 25 N 0.00 0.91 -3.56 2.94 5.85 -0.96 -3.29 115.31 117.20 1x4e h LEU 25 Ca -0.00 -0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.52 1x4e h LEU 25 Cb 0.48 -0.21 -0.33 0.00 0.37 0.00 0.00 40.66 40.96 1x4e h LEU 25 CO 0.00 0.63 -0.88 0.00 -0.34 0.00 0.00 178.44 177.85 1x4e h GLN 27 N 1.22 -0.79 0.00 0.00 4.15 0.08 -2.92 115.11 116.86 1x4e h GLN 27 Ca -0.28 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1x4e h GLN 27 Cb 1.63 0.18 0.00 0.00 0.21 0.00 0.00 27.48 29.49 1x4e h GLN 27 CO 0.03 -0.48 0.00 -0.35 -1.93 0.00 0.00 178.83 176.11 1x4e n PRO 28 N -5.35 0.49 0.02 -2.39 -0.04 -1.26 -2.50 135.00 123.97 1x4e n PRO 28 Ca -0.12 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.22 1x4e n PRO 28 Cb 0.35 -1.37 -0.14 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 0.18 0.00 0.54 -1.99 -1.89 -3.50 116.97 110.31 1x4e h TYR 29 Ca 0.00 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 60.60 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 1.20 0.00 0.41 -0.00 0.00 0.00 178.16 179.77 1x4e n GLY 30 N 1.61 -0.63 3.65 3.88 0.00 -1.04 -4.92 105.19 107.74 1x4e n GLY 30 Ca -0.16 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.60 4.20 -0.39 1.61 2.20 -1.26 -4.76 119.74 120.75 1x4e s LYS 31 Ca 0.00 0.75 -0.08 0.00 -0.36 0.00 0.00 55.97 56.27 1x4e s LYS 31 Cb 0.00 -3.60 0.06 0.00 -1.51 0.00 0.00 37.83 32.78 1x4e s LYS 31 CO 0.00 -0.34 0.20 0.42 -0.36 0.00 0.00 175.35 175.27 1x4e s ILE 32 N 2.24 4.11 0.03 5.43 1.01 -1.26 -1.79 121.20 130.97 1x4e s ILE 32 Ca 0.31 -1.26 -0.20 0.00 0.00 0.00 0.00 60.65 59.50 1x4e s ILE 32 Cb -0.16 -3.44 -0.11 0.00 0.01 0.00 0.00 42.46 38.77 1x4e s ILE 32 CO 0.10 -0.37 1.30 0.58 0.00 0.00 0.00 174.94 176.54 1x4e h VAL 33 N 6.09 0.00 -2.75 2.92 2.07 0.07 -3.47 116.25 121.19 1x4e h VAL 33 Ca -0.23 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 1x4e h VAL 33 Cb 1.08 0.00 -0.22 0.00 -1.52 0.00 0.00 31.29 30.64 1x4e h VAL 33 CO 0.69 0.00 -0.19 -0.55 0.02 0.00 0.00 177.57 177.54 1x4e s SER 34 N -3.10 -0.37 0.00 0.57 0.15 -1.16 -5.03 113.70 104.76 1x4e s SER 34 Ca -0.10 0.55 0.03 0.00 0.70 0.00 0.00 55.95 57.13 1x4e s SER 34 Cb 0.01 0.62 -0.03 0.00 -1.71 0.00 0.00 66.02 64.91 1x4e s SER 34 CO 0.31 -0.32 -0.05 0.42 1.20 0.00 0.00 173.24 174.81 1x4e s THR 35 N -0.53 3.77 -0.22 6.45 -4.23 -1.26 -1.64 115.64 117.99 1x4e s THR 35 Ca -0.06 -0.73 -0.05 0.00 -1.18 0.00 0.00 61.69 59.67 1x4e s THR 35 Cb -0.03 -2.65 0.08 0.00 1.34 0.00 0.00 72.50 71.23 1x4e s THR 35 CO 0.03 0.39 0.11 -0.75 -0.54 0.00 0.00 174.62 173.86 1x4e s LYS 36 N -1.44 0.11 -0.12 3.99 2.47 -0.80 -4.99 119.74 118.96 1x4e s LYS 36 Ca 0.17 -0.26 -0.25 0.00 -1.56 0.00 0.00 55.97 54.07 1x4e s LYS 36 Cb -0.11 -1.56 -0.02 0.00 -1.46 0.00 0.00 37.83 34.68 1x4e s LYS 36 CO 0.08 -0.81 0.79 0.00 0.16 0.00 0.00 175.35 175.57 1x4e s ALA 37 N 2.12 3.42 -0.41 3.13 0.00 -1.26 0.52 121.76 129.28 1x4e s ALA 37 Ca 0.05 0.10 -0.28 0.00 0.00 0.00 0.00 51.96 51.83 1x4e s ALA 37 Cb -0.16 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 1x4e s ALA 37 CO -0.20 -0.41 1.66 0.42 0.00 0.00 0.00 175.76 177.22 1x4e s ILE 38 N 1.55 3.61 0.29 0.00 -1.09 -0.17 -4.92 121.20 120.47 1x4e s ILE 38 Ca 0.39 0.59 0.07 0.00 -2.23 0.00 0.00 60.65 59.47 1x4e s ILE 38 Cb -0.17 -3.92 -0.03 0.00 -1.58 0.00 0.00 42.46 36.76 1x4e s ILE 38 CO 0.16 -0.65 0.24 -0.76 -1.23 0.00 0.00 174.94 172.70 1x4e s LEU 39 N 6.70 3.72 0.52 2.97 1.43 -1.26 -1.62 118.68 131.14 1x4e s LEU 39 Ca 0.70 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 53.41 1x4e s LEU 39 Cb -0.17 -2.29 -0.00 0.00 0.03 0.00 0.00 46.19 43.75 1x4e s LEU 39 CO 0.31 -0.18 0.80 -1.81 0.23 0.00 0.00 176.35 175.70 1x4e s ASP 40 N -3.91 5.80 0.16 2.29 1.01 -1.26 -4.60 116.67 116.16 1x4e s ASP 40 Ca 0.36 0.62 0.21 0.00 0.71 0.00 0.00 52.55 54.46 1x4e s ASP 40 Cb -0.07 -1.76 -0.04 0.00 1.01 0.00 0.00 42.92 42.06 1x4e s ASP 40 CO 0.26 -0.85 0.97 1.17 0.21 0.00 0.00 175.17 176.92 1x4e n LYS 41 N -2.36 0.61 -0.07 8.23 4.81 -1.26 -2.67 118.16 125.46 1x4e n LYS 41 Ca 0.03 0.13 -0.06 0.00 -0.87 0.00 0.00 58.31 57.54 1x4e n LYS 41 Cb 0.57 -1.81 -0.02 0.00 0.02 0.00 0.00 35.03 33.79 1x4e n LYS 41 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1x4e n THR 42 N -2.70 1.26 0.09 3.15 -1.04 -1.26 -4.66 114.28 109.12 1x4e n THR 42 Ca -0.02 0.22 -0.22 0.00 -2.04 0.00 0.00 64.05 61.99 1x4e n THR 42 Cb 0.61 -2.26 -0.13 0.00 -1.82 0.00 0.00 70.33 66.73 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 -0.87 1.29 -0.65 12.58 1.35 -2.00 -3.47 112.91 121.13 1x4e h THR 43 Ca 0.00 -2.44 -0.26 0.00 -0.55 0.00 0.00 66.41 63.16 1x4e h THR 43 Cb 0.64 2.69 -0.10 0.00 -1.73 0.00 0.00 68.15 69.64 1x4e h THR 43 CO 0.00 0.74 -0.24 0.59 -0.25 0.00 0.00 175.52 176.36 1x4e n ASN 44 N -3.81 -4.54 -0.02 5.36 3.02 -1.09 -4.91 115.26 109.26 1x4e n ASN 44 Ca -0.14 0.31 -0.01 0.00 -0.03 0.00 0.00 54.58 54.71 1x4e n ASN 44 Cb 0.98 -3.20 -0.00 0.00 -0.61 0.00 0.00 39.78 36.94 1x4e n ASN 44 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1x4e h LYS 45 N 0.00 0.00 0.00 3.52 1.57 -1.81 -3.43 116.57 116.42 1x4e h LYS 45 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1x4e h LYS 45 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1x4e h LYS 45 CO 0.39 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.27 1x4e n LYS 47 N 0.00 -0.03 0.00 0.00 5.02 -0.64 -4.64 118.16 117.86 1x4e n LYS 47 Ca 0.00 1.17 0.00 0.00 -2.02 0.00 0.00 58.31 57.46 1x4e n LYS 47 Cb 0.00 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 32.69 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 -1.49 1.17 3.02 0.72 0.00 -1.26 -4.96 105.19 102.39 1x4e n GLY 48 Ca 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.26 0.18 0.05 1.61 2.02 -1.26 0.12 117.35 118.81 1x4e s TYR 49 Ca 0.00 -0.37 0.04 0.00 -0.37 0.00 0.00 57.07 56.37 1x4e s TYR 49 Cb 0.00 -0.13 -0.03 0.00 -0.40 0.00 0.00 41.96 41.40 1x4e s TYR 49 CO 0.00 -0.21 -0.11 0.20 -1.57 0.00 0.00 175.55 173.85 1x4e s GLY 50 N -1.36 0.69 0.07 0.71 0.00 0.97 -1.00 107.32 107.40 1x4e s GLY 50 Ca -0.15 -0.86 0.05 0.00 0.00 0.00 0.00 44.72 43.76 1x4e s GLY 50 CO -0.00 -0.89 -0.06 -0.12 0.00 0.00 0.00 173.10 172.03 1x4e s PHE 51 N -1.23 2.87 -0.25 1.90 2.19 0.18 -1.07 117.98 122.57 1x4e s PHE 51 Ca -0.05 -0.08 -0.02 0.00 0.33 0.00 0.00 56.93 57.11 1x4e s PHE 51 Cb -0.09 -1.52 0.14 0.00 -1.31 0.00 0.00 43.02 40.24 1x4e s PHE 51 CO 0.01 0.43 0.39 0.08 1.83 0.00 0.00 175.22 177.97 1x4e s VAL 52 N -1.19 -0.62 -0.16 3.12 1.01 -0.64 -1.91 120.40 120.00 1x4e s VAL 52 Ca 0.22 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.02 1x4e s VAL 52 Cb -0.11 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1x4e s VAL 52 CO 0.14 -0.13 0.13 -1.81 0.00 0.00 0.00 175.10 173.42 1x4e s ASP 53 N 2.56 6.24 0.27 3.32 1.01 -0.65 0.19 116.67 129.60 1x4e s ASP 53 Ca 0.13 0.33 0.08 0.00 0.71 0.00 0.00 52.55 53.79 1x4e s ASP 53 Cb -0.15 -2.06 -0.04 0.00 1.01 0.00 0.00 42.92 41.68 1x4e s ASP 53 CO -0.17 0.29 0.17 -0.36 0.21 0.00 0.00 175.17 175.30 1x4e s PHE 54 N -0.28 3.00 -1.18 4.23 0.40 0.49 0.74 117.98 125.38 1x4e s PHE 54 Ca 0.11 -0.16 0.11 0.00 -0.60 0.00 0.00 56.93 56.38 1x4e s PHE 54 Cb -0.12 -1.43 0.50 0.00 0.51 0.00 0.00 43.02 42.49 1x4e s PHE 54 CO 0.01 0.49 1.31 -0.40 0.70 0.00 0.00 175.22 177.32 1x4e n ASP 55 N -1.16 0.00 -3.62 1.36 5.75 -0.74 -4.57 116.55 113.58 1x4e n ASP 55 Ca -0.07 0.34 -0.16 0.00 -0.01 0.00 0.00 54.79 54.90 1x4e n ASP 55 Cb 0.58 -0.41 -0.07 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 -2.82 -0.54 0.40 -1.12 0.01 -1.26 -5.04 113.70 103.32 1x4e s SER 56 Ca 0.07 0.73 0.19 0.00 1.31 0.00 0.00 55.95 58.25 1x4e s SER 56 Cb 0.07 0.70 0.82 0.00 0.21 0.00 0.00 66.02 67.82 1x4e s SER 56 CO 0.18 -0.45 1.81 1.55 0.41 0.00 0.00 173.24 176.75 1x4e h PRO 57 N 3.88 0.00 0.00 12.44 0.13 -1.84 -2.57 132.00 144.04 1x4e h PRO 57 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1x4e h PRO 57 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1x4e h PRO 57 CO 0.31 0.34 0.00 0.45 -0.23 0.00 0.00 178.00 178.87 1x4e n SER 58 N -3.68 0.58 -0.05 1.44 2.88 -1.26 -3.02 113.62 110.50 1x4e n SER 58 Ca -0.01 0.59 -0.22 0.00 -1.33 0.00 0.00 58.87 57.90 1x4e n SER 58 Cb 0.44 -0.73 -0.13 0.00 -0.75 0.00 0.00 64.21 63.04 1x4e n SER 58 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x4e n ALA 59 N -1.72 0.86 -0.21 -1.46 0.00 -0.98 -4.21 120.51 112.79 1x4e n ALA 59 Ca 0.04 -0.57 -0.04 0.00 0.00 0.00 0.00 53.44 52.87 1x4e n ALA 59 Cb 0.32 -0.59 0.07 0.00 0.00 0.00 0.00 19.45 19.26 1x4e n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x4e h ALA 60 N -0.22 0.81 -0.98 0.00 0.00 -1.55 -2.10 119.26 115.22 1x4e h ALA 60 Ca -0.41 -0.00 0.23 0.00 0.00 0.00 0.00 54.91 54.73 1x4e h ALA 60 Cb 1.69 -0.16 -0.12 0.00 0.00 0.00 0.00 17.79 19.21 1x4e h ALA 60 CO -0.07 0.08 0.55 1.96 0.00 0.00 0.00 179.25 181.77 1x4e h GLN 61 N 0.70 0.56 -1.10 0.00 4.20 -1.72 0.24 115.11 117.98 1x4e h GLN 61 Ca 0.26 -0.03 0.30 0.00 0.06 0.00 0.00 58.65 59.24 1x4e h GLN 61 Cb 0.08 -0.13 -0.09 0.00 0.30 0.00 0.00 27.48 27.64 1x4e h GLN 61 CO -0.13 0.37 0.72 -0.22 -0.67 0.00 0.00 178.83 178.90 1x4e h LYS 62 N 0.58 0.29 0.18 1.46 3.64 -1.55 -0.62 116.57 120.55 1x4e h LYS 62 Ca 0.61 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.96 1x4e h LYS 62 Cb 1.12 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1x4e h LYS 62 CO -0.47 0.19 -0.09 0.00 -2.27 0.00 0.00 179.45 176.82 1x4e h ALA 63 N 1.59 -0.31 -1.00 5.00 0.00 -0.65 -3.04 119.26 120.86 1x4e h ALA 63 Ca 0.62 -0.05 0.37 0.00 0.00 0.00 0.00 54.91 55.85 1x4e h ALA 63 Cb 1.75 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 19.47 1x4e h ALA 63 CO -0.28 -0.29 0.53 0.28 0.00 0.00 0.00 179.25 179.49 1x4e h VAL 64 N -0.79 0.14 -0.20 0.00 2.07 -1.30 0.84 116.25 117.02 1x4e h VAL 64 Ca -0.02 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1x4e h VAL 64 Cb 0.18 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.92 1x4e h VAL 64 CO 0.04 0.03 0.08 0.74 0.02 0.00 0.00 177.57 178.48 1x4e h THR 65 N 0.15 1.16 0.16 2.57 2.02 -1.22 -2.27 112.91 115.48 1x4e h THR 65 Ca 0.78 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 67.47 1x4e h THR 65 Cb 1.93 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 1x4e h THR 65 CO -0.70 0.16 -0.08 0.00 0.37 0.00 0.00 175.52 175.27 1x4e h ALA 66 N 0.93 -0.24 -0.93 6.16 0.00 0.05 -3.29 119.26 121.95 1x4e h ALA 66 Ca 0.07 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.11 1x4e h ALA 66 Cb 0.17 0.08 -0.17 0.00 0.00 0.00 0.00 17.79 17.87 1x4e h ALA 66 CO -0.01 -0.22 -0.26 1.28 0.00 0.00 0.00 179.25 180.04 1x4e n LEU 67 N -4.57 -0.40 -0.15 0.00 4.77 0.24 0.33 117.00 117.24 1x4e n LEU 67 Ca -0.03 1.60 -0.05 0.00 -0.03 0.00 0.00 56.01 57.50 1x4e n LEU 67 Cb 0.08 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 40.73 1x4e n LEU 67 CO 0.06 -1.51 0.68 0.11 -1.33 0.00 0.00 177.39 175.39 1x4e h LYS 68 N 0.00 -0.16 0.00 3.23 1.57 -1.53 0.53 116.57 120.20 1x4e h LYS 68 Ca 0.42 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.20 1x4e h LYS 68 Cb 0.65 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 1x4e h LYS 68 CO -0.95 -0.11 -0.04 0.00 -0.57 0.00 0.00 179.45 177.79 1x4e h ALA 69 N 1.05 1.17 0.00 3.86 0.00 -0.18 -1.42 119.26 123.74 1x4e h ALA 69 Ca 0.21 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1x4e h ALA 69 Cb 0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1x4e h ALA 69 CO -0.57 0.05 -0.31 1.03 0.00 0.00 0.00 179.25 179.46 1x4e h SER 70 N 0.00 0.00 0.00 0.00 0.87 0.13 -3.47 113.55 111.08 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 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 1x4e h SER 70 CO 0.01 0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.22 1x4e n GLY 71 N 0.12 1.31 3.47 5.77 0.00 -0.53 -5.09 105.19 110.24 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 2.93 -0.62 1.61 0.11 -1.17 -5.06 120.40 116.21 1x4e s VAL 72 Ca 0.00 -0.95 -0.27 0.00 -2.93 0.00 0.00 61.98 57.83 1x4e s VAL 72 Cb 0.00 -2.19 0.00 0.00 -1.53 0.00 0.00 36.38 32.66 1x4e s VAL 72 CO 0.00 0.46 1.58 -1.10 -3.33 0.00 0.00 175.10 172.72 1x4e s GLN 73 N -1.10 2.99 -0.16 1.54 -0.21 -1.26 -4.02 119.66 117.44 1x4e s GLN 73 Ca 0.13 0.38 0.00 0.00 0.02 0.00 0.00 55.36 55.90 1x4e s GLN 73 Cb -0.11 -4.25 0.03 0.00 1.00 0.00 0.00 33.01 29.68 1x4e s GLN 73 CO 0.03 -2.32 -0.13 0.00 -2.12 0.00 0.00 175.29 170.75 1x4e s ALA 74 N 7.27 1.89 0.42 6.09 0.00 -1.26 -0.35 121.76 135.83 1x4e s ALA 74 Ca 0.55 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.60 1x4e s ALA 74 Cb -0.11 -1.11 -0.06 0.00 0.00 0.00 0.00 23.12 21.83 1x4e s ALA 74 CO 0.21 -0.50 0.09 -0.65 0.00 0.00 0.00 175.76 174.91 1x4e s GLN 75 N 1.47 2.10 -0.24 0.00 -1.52 -0.38 -4.86 119.66 116.23 1x4e s GLN 75 Ca 0.03 -2.02 -0.04 0.00 -1.95 0.00 0.00 55.36 51.38 1x4e s GLN 75 Cb -0.14 -1.79 -0.05 0.00 -0.22 0.00 0.00 33.01 30.81 1x4e s GLN 75 CO -0.10 -0.12 2.96 -1.33 -0.25 0.00 0.00 175.29 176.44 1x4e n MET 76 N -1.14 2.09 -3.17 2.91 2.81 -1.26 -1.12 117.12 118.24 1x4e n MET 76 Ca -0.04 -1.59 -0.20 0.00 -1.81 0.00 0.00 57.70 54.05 1x4e n MET 76 Cb 0.66 -1.95 0.02 0.00 -0.71 0.00 0.00 33.22 31.24 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 1.47 -2.06 -2.51 3.04 0.00 -1.12 -4.30 120.51 115.02 1x4e n ALA 77 Ca 0.41 0.17 -0.05 0.00 0.00 0.00 0.00 53.44 53.96 1x4e n ALA 77 Cb 0.69 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 1x4e n ALA 77 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1x4e n LYS 78 N 0.47 -4.37 -2.66 0.00 5.02 -1.26 -4.91 118.16 110.45 1x4e n LYS 78 Ca -0.05 3.31 -0.42 0.00 -2.02 0.00 0.00 58.31 59.13 1x4e n LYS 78 Cb 0.56 -4.82 -0.03 0.00 -0.02 0.00 0.00 35.03 30.72 1x4e n LYS 78 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1x4e s GLN 79 N -0.69 4.42 -0.29 1.97 2.00 -1.26 -4.99 119.66 120.81 1x4e s GLN 79 Ca -0.27 1.43 -0.01 0.00 -2.00 0.00 0.00 55.36 54.51 1x4e s GLN 79 Cb 0.02 -3.54 0.19 0.00 0.80 0.00 0.00 33.01 30.48 1x4e s GLN 79 CO 0.73 -0.32 0.76 -1.12 -0.50 0.00 0.00 175.29 174.84 1x4e s SER 80 N 1.14 -1.16 0.04 6.67 0.01 -1.26 -5.16 113.70 113.97 1x4e s SER 80 Ca 0.50 0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.96 1x4e s SER 80 Cb -0.19 1.76 -0.02 0.00 0.21 0.00 0.00 66.02 67.77 1x4e s SER 80 CO 0.19 -0.21 -0.07 -0.83 0.41 0.00 0.00 173.24 172.73 1x4e s GLY 81 N 2.88 0.45 0.17 3.44 0.00 -1.26 -5.06 107.32 107.94 1x4e s GLY 81 Ca 0.16 -0.71 -0.30 0.00 0.00 0.00 0.00 44.72 43.87 1x4e s GLY 81 CO -0.24 -0.76 1.32 2.56 0.00 0.00 0.00 173.10 175.98 1x4e s PRO 82 N -1.49 4.38 -0.31 2.90 0.04 -1.26 -4.99 135.00 134.26 1x4e s PRO 82 Ca -0.10 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 62.91 1x4e s PRO 82 Cb -0.10 -3.22 0.19 0.00 0.04 0.00 0.00 34.50 31.41 1x4e s PRO 82 CO 0.00 -0.29 0.94 0.45 0.04 0.00 0.00 177.00 178.14 1x4e s SER 83 N 0.55 -0.66 0.68 6.66 0.15 -1.26 -4.99 113.70 114.82 1x4e s SER 83 Ca 0.59 -0.07 -0.17 0.00 0.70 0.00 0.00 55.95 57.00 1x4e s SER 83 Cb -0.36 1.20 -0.05 0.00 -1.71 0.00 0.00 66.02 65.11 1x4e s SER 83 CO 0.36 -0.10 0.62 -0.24 1.20 0.00 0.00 173.24 175.07 1x4e n SER 84 N 4.69 -0.79 0.00 5.45 2.88 -1.26 -5.32 113.62 119.28 1x4e n SER 84 Ca 0.08 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 1x4e n SER 84 Cb 0.59 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.80 1x4e n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42