#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1o n ILE 4 N 0.00 0.00 -1.65 0.58 5.41 -1.26 -4.95 119.36 117.49 3i1o n ILE 4 Ca 0.00 0.00 -0.57 0.00 1.00 0.00 0.00 62.75 63.18 3i1o n ILE 4 Cb 0.00 -1.19 -0.08 0.00 -0.71 0.00 0.00 39.64 37.67 3i1o n ILE 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 3i1o n ARG 5 N -0.80 1.01 -3.87 0.38 0.63 -1.26 -4.92 116.66 107.84 3i1o n ARG 5 Ca 0.00 0.36 -0.34 0.00 -0.92 0.00 0.00 57.85 56.95 3i1o n ARG 5 Cb 0.00 -2.09 -0.13 0.00 0.45 0.00 0.00 32.46 30.69 3i1o n ARG 5 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3i1o s THR 6 N 4.25 2.92 -0.24 5.15 -1.32 -1.26 -4.61 115.64 120.53 3i1o s THR 6 Ca 1.02 -2.24 -0.21 0.00 -1.21 0.00 0.00 61.69 59.04 3i1o s THR 6 Cb -1.09 -3.04 -0.02 0.00 -1.51 0.00 0.00 72.50 66.84 3i1o s THR 6 CO 0.64 -0.67 0.67 -0.76 -2.21 0.00 0.00 174.62 172.29 3i1o s LEU 7 N 0.96 4.08 -0.49 9.08 2.01 -1.21 -5.02 118.68 128.10 3i1o s LEU 7 Ca 0.10 0.80 -0.22 0.00 0.01 0.00 0.00 54.13 54.82 3i1o s LEU 7 Cb -0.21 -2.93 0.04 0.00 0.01 0.00 0.00 46.19 43.09 3i1o s LEU 7 CO -0.05 -0.38 0.78 -1.58 1.01 0.00 0.00 176.35 176.12 3i1o s GLN 8 N 2.46 3.30 0.10 1.70 2.00 -1.26 -3.39 119.66 124.57 3i1o s GLN 8 Ca 0.28 -0.36 0.04 0.00 -2.00 0.00 0.00 55.36 53.33 3i1o s GLN 8 Cb -0.16 -4.01 -0.04 0.00 0.80 0.00 0.00 33.01 29.61 3i1o s GLN 8 CO 0.09 -1.24 -0.11 0.20 -0.50 0.00 0.00 175.29 173.73 3i1o s GLY 9 N 2.45 0.88 -0.21 2.59 0.00 -1.18 -4.54 107.32 107.31 3i1o s GLY 9 Ca 0.26 -1.21 -0.07 0.00 0.00 0.00 0.00 44.72 43.70 3i1o s GLY 9 CO 0.19 -1.29 0.05 -1.60 0.00 0.00 0.00 173.10 170.45 3i1o s ARG 10 N -2.81 3.73 0.68 2.90 3.52 -0.47 -0.42 118.95 126.08 3i1o s ARG 10 Ca 0.06 -0.45 -0.17 0.00 -0.13 0.00 0.00 55.73 55.04 3i1o s ARG 10 Cb -0.03 -3.21 -0.08 0.00 -1.56 0.00 0.00 34.95 30.07 3i1o s ARG 10 CO 0.00 0.01 0.31 0.28 -0.81 0.00 0.00 175.30 175.09 3i1o n VAL 11 N 4.31 1.42 -1.66 7.11 0.31 -0.35 -2.94 118.33 126.54 3i1o n VAL 11 Ca -0.16 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 3i1o n VAL 11 Cb 0.52 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 3i1o n VAL 11 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 3i1o n VAL 12 N -2.11 0.00 -3.38 2.52 3.14 -1.18 -3.67 118.33 113.65 3i1o n VAL 12 Ca 0.09 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.31 3i1o n VAL 12 Cb 0.49 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.19 3i1o n VAL 12 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3i1o s SER 13 N 0.00 1.42 -0.82 6.55 0.15 -1.16 -4.93 113.70 114.90 3i1o s SER 13 Ca 0.00 -0.88 -0.01 0.00 0.70 0.00 0.00 55.95 55.76 3i1o s SER 13 Cb 0.00 0.59 0.35 0.00 -1.71 0.00 0.00 66.02 65.26 3i1o s SER 13 CO 0.00 -0.36 1.88 -0.67 1.20 0.00 0.00 173.24 175.29 3i1o n ASP 14 N 5.10 7.13 -0.01 5.45 4.64 -1.26 -2.62 116.55 134.98 3i1o n ASP 14 Ca 0.01 -3.80 -0.01 0.00 -1.38 0.00 0.00 54.79 49.60 3i1o n ASP 14 Cb 0.46 -1.00 -0.01 0.00 -1.04 0.00 0.00 41.12 39.54 3i1o n ASP 14 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3i1o n LYS 15 N -0.47 0.03 -1.86 -0.67 4.76 -1.26 -4.90 118.16 113.79 3i1o n LYS 15 Ca 0.51 0.01 -0.34 0.00 -2.87 0.00 0.00 58.31 55.62 3i1o n LYS 15 Cb 0.29 -0.73 0.04 0.00 -1.84 0.00 0.00 35.03 32.79 3i1o n LYS 15 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 3i1o s MET 16 N -2.03 2.82 -0.30 1.97 -1.94 -1.20 -4.93 119.30 113.69 3i1o s MET 16 Ca -0.02 1.62 -0.29 0.00 -1.71 0.00 0.00 55.69 55.29 3i1o s MET 16 Cb 0.01 -1.93 -0.02 0.00 2.01 0.00 0.00 34.83 34.90 3i1o s MET 16 CO 0.03 -1.28 1.72 -1.21 -0.01 0.00 0.00 175.02 174.27 3i1o s GLU 17 N -3.70 3.50 0.00 2.03 0.41 -1.26 -3.24 118.70 116.44 3i1o s GLU 17 Ca 0.72 1.47 0.00 0.00 -0.41 0.00 0.00 54.97 56.76 3i1o s GLU 17 Cb -0.25 -4.14 0.00 0.00 -1.78 0.00 0.00 34.13 27.96 3i1o s GLU 17 CO 0.37 -1.65 0.00 1.63 -0.49 0.00 0.00 175.26 175.12 3i1o n LYS 18 N 8.17 -0.46 -3.78 1.61 5.02 -1.26 -4.98 118.16 122.47 3i1o n LYS 18 Ca 0.21 0.11 -0.09 0.00 -2.02 0.00 0.00 58.31 56.52 3i1o n LYS 18 Cb 0.46 -3.46 -0.06 0.00 -0.02 0.00 0.00 35.03 31.95 3i1o n LYS 18 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3i1o s SER 19 N -2.11 0.00 0.08 4.39 1.04 -1.20 -0.07 113.70 115.84 3i1o s SER 19 Ca 0.00 -0.54 -0.10 0.00 0.48 0.00 0.00 55.95 55.79 3i1o s SER 19 Cb 0.00 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.51 3i1o s SER 19 CO 0.00 -0.77 0.23 0.27 0.98 0.00 0.00 173.24 173.95 3i1o s ILE 20 N -3.83 0.12 -0.39 -1.02 -0.00 0.84 -3.28 121.20 113.65 3i1o s ILE 20 Ca 0.04 -1.01 -0.16 0.00 -0.00 0.00 0.00 60.65 59.52 3i1o s ILE 20 Cb 0.04 -1.20 0.01 0.00 -0.00 0.00 0.00 42.46 41.31 3i1o s ILE 20 CO -0.11 -0.56 0.39 -0.69 -0.00 0.00 0.00 174.94 173.97 3i1o s VAL 21 N -3.47 5.14 -0.01 8.37 1.01 -1.08 -0.91 120.40 129.45 3i1o s VAL 21 Ca 0.02 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3i1o s VAL 21 Cb 0.03 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3i1o s VAL 21 CO -0.09 -0.27 0.01 -0.69 0.00 0.00 0.00 175.10 174.06 3i1o s VAL 22 N 2.05 4.23 0.07 2.92 1.01 -0.11 -3.01 120.40 127.56 3i1o s VAL 22 Ca 0.11 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.62 3i1o s VAL 22 Cb -0.17 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3i1o s VAL 22 CO 0.12 0.40 -0.16 0.00 0.00 0.00 0.00 175.10 175.47 3i1o s ALA 23 N -1.07 2.71 -0.11 5.51 0.00 -1.15 0.13 121.76 127.78 3i1o s ALA 23 Ca 0.19 -1.23 -0.00 0.00 0.00 0.00 0.00 51.96 50.92 3i1o s ALA 23 Cb -0.12 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.26 3i1o s ALA 23 CO 0.10 0.59 -0.07 0.42 0.00 0.00 0.00 175.76 176.80 3i1o s ILE 24 N -1.04 1.00 0.12 0.00 1.09 0.30 -1.37 121.20 121.30 3i1o s ILE 24 Ca 0.17 -0.27 -0.01 0.00 -1.10 0.00 0.00 60.65 59.43 3i1o s ILE 24 Cb -0.11 -1.02 -0.04 0.00 -1.06 0.00 0.00 42.46 40.23 3i1o s ILE 24 CO 0.08 0.36 0.30 -1.61 -0.10 0.00 0.00 174.94 173.98 3i1o s GLU 25 N 1.68 3.50 0.31 2.79 2.02 -1.25 -0.15 118.70 127.59 3i1o s GLU 25 Ca 0.04 -0.35 -0.09 0.00 0.02 0.00 0.00 54.97 54.59 3i1o s GLU 25 Cb -0.13 -2.94 0.01 0.00 0.10 0.00 0.00 34.13 31.17 3i1o s GLU 25 CO -0.08 0.52 0.52 -0.98 0.02 0.00 0.00 175.26 175.25 3i1o s ARG 26 N -2.83 1.79 -0.23 1.61 1.70 0.72 -4.94 118.95 116.77 3i1o s ARG 26 Ca 0.37 -1.50 0.01 0.00 -0.47 0.00 0.00 55.73 54.14 3i1o s ARG 26 Cb -0.12 0.48 0.06 0.00 -0.57 0.00 0.00 34.95 34.80 3i1o s ARG 26 CO 0.27 -0.76 -0.05 -0.06 -1.08 0.00 0.00 175.30 173.62 3i1o s PHE 27 N -3.37 2.34 -0.39 5.89 0.08 -1.26 -1.44 117.98 119.83 3i1o s PHE 27 Ca 0.25 -1.72 -0.05 0.00 0.12 0.00 0.00 56.93 55.53 3i1o s PHE 27 Cb -0.01 -1.56 0.08 0.00 -0.57 0.00 0.00 43.02 40.97 3i1o s PHE 27 CO 0.14 -0.77 0.18 0.54 -0.10 0.00 0.00 175.22 175.22 3i1o s VAL 28 N 1.41 3.63 -0.84 -0.44 0.11 -1.09 -4.90 120.40 118.28 3i1o s VAL 28 Ca -0.06 -1.62 -0.27 0.00 -2.93 0.00 0.00 61.98 57.11 3i1o s VAL 28 Cb -0.19 -3.28 -0.19 0.00 -1.53 0.00 0.00 36.38 31.19 3i1o s VAL 28 CO -0.06 -0.48 2.54 1.17 -3.33 0.00 0.00 175.10 174.93 3i1o n LYS 29 N 4.74 0.33 -1.59 1.54 3.00 -1.26 -3.69 118.16 121.22 3i1o n LYS 29 Ca -0.08 -0.06 -0.50 0.00 -0.00 0.00 0.00 58.31 57.67 3i1o n LYS 29 Cb 0.42 -2.13 -0.05 0.00 0.00 0.00 0.00 35.03 33.27 3i1o n LYS 29 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 3i1o n HIS 30 N 11.98 1.50 0.00 5.64 -0.00 -0.84 -4.78 115.22 128.72 3i1o n HIS 30 Ca 0.57 0.62 0.00 0.00 -0.00 0.00 0.00 57.72 58.91 3i1o n HIS 30 Cb 0.21 -2.33 0.00 0.00 -0.00 0.00 0.00 29.99 27.88 3i1o n HIS 30 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 3i1o n PRO 31 N 2.30 0.00 -0.20 1.57 -0.02 -1.26 -0.46 135.00 136.92 3i1o n PRO 31 Ca 0.17 0.70 0.08 0.00 -2.02 0.00 0.00 63.50 62.43 3i1o n PRO 31 Cb 0.22 -1.25 0.23 0.00 -0.02 0.00 0.00 33.50 32.68 3i1o n PRO 31 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3i1o n ILE 32 N -1.92 0.52 -0.23 4.25 -5.35 -1.26 -3.98 119.36 111.38 3i1o n ILE 32 Ca 0.00 -0.56 0.00 0.00 -0.27 0.00 0.00 62.75 61.92 3i1o n ILE 32 Cb 0.00 0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 3i1o n ILE 32 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3i1o n TYR 33 N 0.75 0.00 -2.87 4.28 0.53 -1.22 -5.04 117.16 113.59 3i1o n TYR 33 Ca 0.15 0.00 -0.17 0.00 -1.02 0.00 0.00 57.90 56.86 3i1o n TYR 33 Cb 0.38 0.00 -0.00 0.00 -1.03 0.00 0.00 39.34 38.69 3i1o n TYR 33 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3i1o n GLY 34 N 0.08 -0.50 3.61 2.72 0.00 0.39 -4.94 105.19 106.55 3i1o n GLY 34 Ca 0.00 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3i1o n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1o s LYS 35 N -5.49 3.42 -0.45 1.61 2.36 -1.26 -4.74 119.74 115.19 3i1o s LYS 35 Ca 0.19 -0.44 -0.29 0.00 -2.55 0.00 0.00 55.97 52.88 3i1o s LYS 35 Cb -0.10 -2.91 0.02 0.00 -1.05 0.00 0.00 37.83 33.79 3i1o s LYS 35 CO 0.23 0.46 1.26 -0.06 1.55 0.00 0.00 175.35 178.79 3i1o s PHE 36 N -0.20 2.62 0.21 4.03 0.08 -1.26 -1.98 117.98 121.48 3i1o s PHE 36 Ca 0.05 0.69 0.08 0.00 0.12 0.00 0.00 56.93 57.87 3i1o s PHE 36 Cb -0.13 -4.39 -0.04 0.00 -0.57 0.00 0.00 43.02 37.89 3i1o s PHE 36 CO 0.02 -1.59 -0.03 0.96 -0.10 0.00 0.00 175.22 174.48 3i1o s ILE 37 N 4.91 3.49 0.28 0.64 -4.36 -1.24 -4.93 121.20 119.99 3i1o s ILE 37 Ca 0.54 -1.64 -0.29 0.00 -0.26 0.00 0.00 60.65 59.00 3i1o s ILE 37 Cb -0.10 -2.79 -0.09 0.00 1.25 0.00 0.00 42.46 40.73 3i1o s ILE 37 CO 0.32 -0.20 1.00 -0.54 0.24 0.00 0.00 174.94 175.76 3i1o s LYS 38 N -3.15 4.69 -0.01 0.37 -0.14 -1.26 -2.67 119.74 117.57 3i1o s LYS 38 Ca 0.28 1.56 0.01 0.00 -1.36 0.00 0.00 55.97 56.46 3i1o s LYS 38 Cb -0.08 -3.11 0.00 0.00 -1.68 0.00 0.00 37.83 32.96 3i1o s LYS 38 CO 0.18 0.33 -0.02 0.50 -0.76 0.00 0.00 175.35 175.58 3i1o s ARG 39 N -1.52 0.21 0.10 1.68 6.06 -0.52 -4.95 118.95 120.02 3i1o s ARG 39 Ca 0.45 -0.07 0.09 0.00 -2.50 0.00 0.00 55.73 53.70 3i1o s ARG 39 Cb -0.26 -0.23 -0.04 0.00 0.06 0.00 0.00 34.95 34.48 3i1o s ARG 39 CO 0.33 0.03 -0.19 0.95 -2.50 0.00 0.00 175.30 173.92 3i1o s THR 40 N 0.08 2.73 -0.04 4.11 -4.23 -1.26 -0.20 115.64 116.84 3i1o s THR 40 Ca -0.00 -1.47 0.01 0.00 -1.18 0.00 0.00 61.69 59.04 3i1o s THR 40 Cb -0.03 -2.22 0.02 0.00 1.34 0.00 0.00 72.50 71.62 3i1o s THR 40 CO -0.00 0.16 -0.02 -0.89 -0.54 0.00 0.00 174.62 173.32 3i1o s THR 41 N -1.08 0.35 -0.44 3.99 2.01 0.78 -4.90 115.64 116.36 3i1o s THR 41 Ca 0.17 -0.01 -0.08 0.00 0.31 0.00 0.00 61.69 62.07 3i1o s THR 41 Cb -0.10 -0.42 0.10 0.00 0.01 0.00 0.00 72.50 72.08 3i1o s THR 41 CO 0.08 0.19 0.28 -0.54 -0.69 0.00 0.00 174.62 173.95 3i1o s LYS 42 N 1.03 2.49 0.22 4.92 1.02 -1.26 0.11 119.74 128.27 3i1o s LYS 42 Ca -0.10 -1.62 -0.08 0.00 0.02 0.00 0.00 55.97 54.20 3i1o s LYS 42 Cb -0.14 -3.81 -0.06 0.00 -0.52 0.00 0.00 37.83 33.30 3i1o s LYS 42 CO -0.01 -1.06 0.51 -0.51 -0.92 0.00 0.00 175.35 173.36 3i1o s LEU 43 N 1.37 4.17 -0.39 3.17 1.02 0.12 -4.91 118.68 123.22 3i1o s LEU 43 Ca 0.04 0.81 -0.16 0.00 0.02 0.00 0.00 54.13 54.84 3i1o s LEU 43 Cb -0.24 -3.57 0.01 0.00 0.02 0.00 0.00 46.19 42.40 3i1o s LEU 43 CO 0.00 -0.07 0.41 -1.00 0.02 0.00 0.00 176.35 175.71 3i1o s HIS 44 N -1.83 3.19 0.24 0.29 3.76 -1.26 -0.93 115.29 118.74 3i1o s HIS 44 Ca 0.45 -0.24 0.08 0.00 -0.15 0.00 0.00 55.06 55.20 3i1o s HIS 44 Cb -0.11 -2.81 -0.04 0.00 1.11 0.00 0.00 32.58 30.73 3i1o s HIS 44 CO 0.24 -0.60 0.09 0.08 -0.85 0.00 0.00 174.74 173.69 3i1o s VAL 45 N 2.09 3.96 -0.06 -0.90 1.01 -0.08 -3.34 120.40 123.07 3i1o s VAL 45 Ca 0.12 -1.59 0.02 0.00 0.00 0.00 0.00 61.98 60.53 3i1o s VAL 45 Cb -0.17 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.12 3i1o s VAL 45 CO 0.13 -0.31 -0.11 -2.28 0.00 0.00 0.00 175.10 172.53 3i1o s HIS 46 N -2.13 1.30 -0.34 5.22 5.04 0.09 -0.11 115.29 124.36 3i1o s HIS 46 Ca 0.31 -0.45 -0.00 0.00 -1.54 0.00 0.00 55.06 53.38 3i1o s HIS 46 Cb -0.08 -0.97 0.11 0.00 0.04 0.00 0.00 32.58 31.68 3i1o s HIS 46 CO 0.22 -0.24 0.13 0.16 -2.34 0.00 0.00 174.74 172.67 3i1o s ASP 47 N 0.64 3.90 0.53 9.88 3.84 0.90 -0.04 116.67 136.31 3i1o s ASP 47 Ca -0.13 -1.90 0.19 0.00 -0.00 0.00 0.00 52.55 50.71 3i1o s ASP 47 Cb -0.15 -0.89 1.36 0.00 -1.38 0.00 0.00 42.92 41.86 3i1o s ASP 47 CO 0.03 -0.38 2.16 -0.33 -0.00 0.00 0.00 175.17 176.65 3i1o h GLU 48 N 7.72 0.00 -0.79 2.11 4.39 -1.93 0.29 114.58 126.37 3i1o h GLU 48 Ca -0.10 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.75 3i1o h GLU 48 Cb 0.99 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.55 3i1o h GLU 48 CO 0.46 0.02 0.35 -0.91 -1.16 0.00 0.00 179.01 177.77 3i1o h ASN 49 N 0.00 0.38 -0.42 1.42 -0.26 -1.92 -3.46 115.58 111.31 3i1o h ASN 49 Ca -0.00 0.10 -0.18 0.00 -0.56 0.00 0.00 56.30 55.66 3i1o h ASN 49 Cb 0.04 0.06 -0.07 0.00 -1.06 0.00 0.00 38.32 37.28 3i1o h ASN 49 CO 0.00 0.15 -0.17 0.59 -1.06 0.00 0.00 177.43 176.95 3i1o n ASN 50 N -4.95 -4.41 -0.28 5.81 3.02 0.10 -4.89 115.26 109.66 3i1o n ASN 50 Ca 0.15 0.22 -0.05 0.00 -0.03 0.00 0.00 54.58 54.87 3i1o n ASN 50 Cb 0.42 -2.69 0.08 0.00 -0.61 0.00 0.00 39.78 36.98 3i1o n ASN 50 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3i1o h GLU 51 N 0.10 1.18 0.00 3.52 4.39 -1.89 -3.45 114.58 118.42 3i1o h GLU 51 Ca -0.18 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.31 3i1o h GLU 51 Cb 0.69 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3i1o h GLU 51 CO 0.27 0.95 0.00 0.00 -1.16 0.00 0.00 179.01 179.07 3i1o n GLY 53 N 0.00 1.90 3.70 0.00 0.00 -1.26 -4.95 105.19 104.58 3i1o n GLY 53 Ca 0.00 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 3i1o n GLY 53 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i1o s ILE 54 N 0.00 2.64 0.00 -0.61 2.07 -1.26 -2.74 121.20 121.30 3i1o s ILE 54 Ca 0.00 0.31 0.00 0.00 -1.41 0.00 0.00 60.65 59.55 3i1o s ILE 54 Cb 0.00 -3.20 0.00 0.00 0.13 0.00 0.00 42.46 39.39 3i1o s ILE 54 CO 0.00 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 3i1o n GLY 55 N 3.96 1.87 2.23 1.50 0.00 -1.24 -4.97 105.19 108.55 3i1o n GLY 55 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 3i1o n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i1o n ASP 56 N 0.00 -2.65 -4.07 1.61 9.92 -1.11 -4.72 116.55 115.53 3i1o n ASP 56 Ca 0.00 -0.76 -0.21 0.00 -0.53 0.00 0.00 54.79 53.29 3i1o n ASP 56 Cb 0.00 -0.67 -0.15 0.00 -0.64 0.00 0.00 41.12 39.66 3i1o n ASP 56 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3i1o s VAL 57 N -2.02 0.98 0.38 2.53 1.01 -0.98 -1.21 120.40 121.09 3i1o s VAL 57 Ca 0.46 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.97 3i1o s VAL 57 Cb -0.06 -0.82 -0.06 0.00 0.00 0.00 0.00 36.38 35.43 3i1o s VAL 57 CO 0.37 0.28 0.04 0.68 0.00 0.00 0.00 175.10 176.47 3i1o s VAL 58 N -0.21 1.45 -0.28 2.92 -7.23 0.44 -1.83 120.40 115.66 3i1o s VAL 58 Ca 0.03 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.21 3i1o s VAL 58 Cb -0.06 -2.78 0.08 0.00 0.56 0.00 0.00 36.38 34.18 3i1o s VAL 58 CO -0.00 0.00 0.02 -0.70 -0.31 0.00 0.00 175.10 174.10 3i1o s GLU 59 N -3.81 1.32 -0.01 4.82 2.56 0.56 -3.10 118.70 121.03 3i1o s GLU 59 Ca 0.32 -1.23 0.05 0.00 0.00 0.00 0.00 54.97 54.11 3i1o s GLU 59 Cb 0.08 -2.58 -0.03 0.00 2.00 0.00 0.00 34.13 33.60 3i1o s GLU 59 CO 0.15 -0.79 -0.15 0.96 -0.56 0.00 0.00 175.26 174.87 3i1o s ILE 60 N 1.34 3.01 0.18 -3.70 -0.00 -1.22 -1.72 121.20 119.09 3i1o s ILE 60 Ca 0.03 -0.88 0.11 0.00 -0.00 0.00 0.00 60.65 59.91 3i1o s ILE 60 Cb -0.18 -2.22 -0.04 0.00 -0.00 0.00 0.00 42.46 40.01 3i1o s ILE 60 CO -0.12 0.49 -0.25 0.00 -0.00 0.00 0.00 174.94 175.07 3i1o s ARG 61 N -1.02 1.48 0.17 0.37 1.70 -0.86 -3.28 118.95 117.51 3i1o s ARG 61 Ca 0.13 -1.48 -0.30 0.00 -0.47 0.00 0.00 55.73 53.61 3i1o s ARG 61 Cb -0.11 -1.86 -0.07 0.00 -0.57 0.00 0.00 34.95 32.34 3i1o s ARG 61 CO 0.03 0.41 1.06 -2.00 -1.08 0.00 0.00 175.30 173.72 3i1o s GLU 62 N -2.50 4.63 0.00 3.89 2.12 -1.26 -1.15 118.70 124.43 3i1o s GLU 62 Ca 0.19 1.65 0.00 0.00 0.36 0.00 0.00 54.97 57.17 3i1o s GLU 62 Cb -0.08 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.01 3i1o s GLU 62 CO 0.09 0.13 0.00 0.00 -0.54 0.00 0.00 175.26 174.94 3i1o s ARG 64 N 1.36 3.92 -0.22 0.00 3.52 -1.26 -4.81 118.95 121.46 3i1o s ARG 64 Ca 0.00 1.44 -0.32 0.00 -0.13 0.00 0.00 55.73 56.72 3i1o s ARG 64 Cb 0.00 -2.27 -0.09 0.00 -1.56 0.00 0.00 34.95 31.03 3i1o s ARG 64 CO 0.00 -0.34 2.13 -0.35 -0.81 0.00 0.00 175.30 175.93 3i1o n PRO 65 N -0.62 1.74 0.00 5.12 -0.04 -1.26 -4.68 135.00 135.26 3i1o n PRO 65 Ca 0.08 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 64.19 3i1o n PRO 65 Cb 0.51 -2.83 0.29 0.00 -0.04 0.00 0.00 33.50 31.43 3i1o n PRO 65 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3i1o n LEU 66 N 9.80 0.63 0.00 1.53 4.77 0.21 -4.97 117.00 128.97 3i1o n LEU 66 Ca 0.32 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3i1o n LEU 66 Cb 0.34 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3i1o n LEU 66 CO 0.71 0.14 0.00 -1.54 -1.33 0.00 0.00 177.39 175.37 3i1o n SER 67 N -1.27 0.00 -4.52 -1.43 3.41 -1.00 -4.91 113.62 103.90 3i1o n SER 67 Ca 0.07 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.29 3i1o n SER 67 Cb 0.34 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.21 3i1o n SER 67 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3i1o n LYS 68 N -0.66 0.68 0.00 4.33 4.81 -1.26 -0.94 118.16 125.12 3i1o n LYS 68 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 3i1o n LYS 68 Cb 0.00 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 32.40 3i1o n LYS 68 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3i1o n THR 69 N 7.74 0.00 -2.96 3.15 -2.24 -1.26 -5.05 114.28 113.66 3i1o n THR 69 Ca 0.48 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.83 3i1o n THR 69 Cb 0.33 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.51 3i1o n THR 69 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i1o s LYS 70 N 0.00 3.34 -0.01 -0.78 1.02 -0.12 -4.17 119.74 119.03 3i1o s LYS 70 Ca 0.00 -0.26 0.04 0.00 0.02 0.00 0.00 55.97 55.77 3i1o s LYS 70 Cb 0.00 -3.99 0.07 0.00 -0.52 0.00 0.00 37.83 33.39 3i1o s LYS 70 CO 0.00 -1.23 1.03 0.43 -0.92 0.00 0.00 175.35 174.66 3i1o n SER 71 N 6.84 0.23 -4.04 2.83 7.64 -1.21 0.68 113.62 126.59 3i1o n SER 71 Ca 0.01 -2.06 -0.13 0.00 1.01 0.00 0.00 58.87 57.71 3i1o n SER 71 Cb 0.48 -0.22 -0.12 0.00 -1.01 0.00 0.00 64.21 63.34 3i1o n SER 71 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3i1o s TRP 72 N -0.14 0.58 0.09 1.43 0.52 -1.21 -1.31 118.94 118.90 3i1o s TRP 72 Ca 0.06 -0.46 0.09 0.00 0.02 0.00 0.00 56.10 55.81 3i1o s TRP 72 Cb 0.06 -0.35 -0.03 0.00 -1.15 0.00 0.00 33.47 32.00 3i1o s TRP 72 CO -0.02 -0.09 -0.24 -0.08 0.02 0.00 0.00 176.95 176.54 3i1o s THR 73 N -1.25 1.99 -0.02 2.01 -1.32 -0.30 -0.73 115.64 116.02 3i1o s THR 73 Ca -0.10 -1.54 -0.30 0.00 -1.21 0.00 0.00 61.69 58.55 3i1o s THR 73 Cb -0.09 -1.75 -0.04 0.00 -1.51 0.00 0.00 72.50 69.11 3i1o s THR 73 CO 0.00 0.12 1.16 -0.22 -2.21 0.00 0.00 174.62 173.47 3i1o s LEU 74 N -1.72 4.31 -0.00 9.08 2.96 0.94 -2.02 118.68 132.23 3i1o s LEU 74 Ca 0.10 1.84 0.01 0.00 -0.22 0.00 0.00 54.13 55.86 3i1o s LEU 74 Cb -0.10 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 3i1o s LEU 74 CO 0.04 -0.50 0.03 1.33 -1.32 0.00 0.00 176.35 175.93 3i1o n VAL 75 N 4.32 0.00 -3.64 1.68 0.24 -0.70 -4.84 118.33 115.39 3i1o n VAL 75 Ca 0.10 -0.03 -0.04 0.00 -2.04 0.00 0.00 64.34 62.33 3i1o n VAL 75 Cb 0.47 0.43 -0.06 0.00 -1.47 0.00 0.00 33.84 33.21 3i1o n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1o s ARG 76 N -2.09 0.14 -0.05 7.34 1.70 -1.15 -5.03 118.95 119.81 3i1o s ARG 76 Ca -0.00 0.10 -0.01 0.00 -0.47 0.00 0.00 55.73 55.35 3i1o s ARG 76 Cb 0.01 0.07 -0.04 0.00 -0.57 0.00 0.00 34.95 34.42 3i1o s ARG 76 CO 0.05 -0.03 0.03 0.08 -1.08 0.00 0.00 175.30 174.35 3i1o s VAL 77 N -0.42 4.46 0.00 4.99 1.01 -1.26 -0.32 120.40 128.85 3i1o s VAL 77 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3i1o s VAL 77 Cb -0.03 -2.94 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3i1o s VAL 77 CO -0.11 0.50 0.00 0.52 0.00 0.00 0.00 175.10 176.02 3i1o n VAL 78 N 1.76 0.00 -1.53 2.92 0.31 -0.76 -4.93 118.33 116.09 3i1o n VAL 78 Ca -0.17 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.80 3i1o n VAL 78 Cb 0.53 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.38 3i1o n VAL 78 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i1o n GLU 79 N 0.00 0.62 0.04 5.55 4.71 -1.26 -4.74 120.64 125.56 3i1o n GLU 79 Ca 0.00 -0.04 -0.13 0.00 -0.01 0.00 0.00 57.16 56.98 3i1o n GLU 79 Cb 0.00 -2.70 -0.09 0.00 -1.01 0.00 0.00 31.44 27.64 3i1o n GLU 79 CO 0.00 0.00 0.00 1.57 0.09 0.00 0.00 177.13 178.79 3i1o h LYS 80 N 16.40 -0.12 -3.27 3.49 2.10 -1.92 -2.59 116.57 130.65 3i1o h LYS 80 Ca -0.15 0.01 0.37 0.00 -2.00 0.00 0.00 60.65 58.87 3i1o h LYS 80 Cb 1.27 0.03 -0.13 0.00 -0.90 0.00 0.00 32.23 32.49 3i1o h LYS 80 CO 1.25 0.30 -0.81 0.00 -2.00 0.00 0.00 179.45 178.19 3i1o n ALA 81 N -2.40 -3.69 -0.92 0.07 0.00 -1.26 -3.58 120.51 108.74 3i1o n ALA 81 Ca -0.09 0.63 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3i1o n ALA 81 Cb 0.25 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3i1o n ALA 81 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05