#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1q s ILE 4 N 0.00 5.17 0.01 0.58 1.09 -1.26 -4.86 121.20 121.92 3i1q s ILE 4 Ca 0.00 0.83 0.00 0.00 -1.10 0.00 0.00 60.65 60.38 3i1q s ILE 4 Cb 0.00 -3.75 0.00 0.00 -1.06 0.00 0.00 42.46 37.65 3i1q s ILE 4 CO 0.00 0.41 0.00 0.54 -0.10 0.00 0.00 174.94 175.79 3i1q n ARG 5 N 3.13 -1.20 -2.77 2.79 1.74 -1.26 -4.81 116.66 114.28 3i1q n ARG 5 Ca -0.10 0.87 -0.42 0.00 -0.77 0.00 0.00 57.85 57.42 3i1q n ARG 5 Cb 0.52 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 3i1q n ARG 5 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3i1q s THR 6 N -0.14 4.77 -0.09 0.55 -4.23 -1.26 -4.81 115.64 110.44 3i1q s THR 6 Ca 0.00 1.83 0.01 0.00 -1.18 0.00 0.00 61.69 62.35 3i1q s THR 6 Cb 0.00 -4.23 0.02 0.00 1.34 0.00 0.00 72.50 69.63 3i1q s THR 6 CO 0.00 -0.09 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.15 3i1q s LEU 7 N 2.75 1.32 0.00 4.79 1.02 -1.24 -5.04 118.68 122.27 3i1q s LEU 7 Ca 0.41 -0.26 0.00 0.00 0.02 0.00 0.00 54.13 54.30 3i1q s LEU 7 Cb -0.16 -0.76 0.00 0.00 0.02 0.00 0.00 46.19 45.29 3i1q s LEU 7 CO 0.09 -0.06 0.00 0.00 0.02 0.00 0.00 176.35 176.40 3i1q n GLN 8 N 4.46 0.00 -0.57 1.70 1.13 -1.26 -0.89 117.38 121.95 3i1q n GLN 8 Ca -0.17 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.89 3i1q n GLN 8 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.86 3i1q n GLN 8 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i1q n GLY 9 N 4.73 -3.52 0.00 1.08 0.00 -1.26 -4.51 105.19 101.71 3i1q n GLY 9 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3i1q n GLY 9 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3i1q n ARG 10 N -1.13 1.01 0.00 1.61 1.85 -1.15 -3.72 116.66 115.13 3i1q n ARG 10 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3i1q n ARG 10 Cb 0.03 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.44 3i1q n ARG 10 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3i1q n VAL 11 N 0.00 0.00 0.00 8.89 0.31 -1.25 -3.63 118.33 122.64 3i1q n VAL 11 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i1q n VAL 11 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i1q n VAL 11 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 3i1q n VAL 12 N 0.00 0.00 -3.88 2.52 3.14 -1.25 -2.47 118.33 116.39 3i1q n VAL 12 Ca 0.00 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.29 3i1q n VAL 12 Cb 0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 32.70 3i1q n VAL 12 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 3i1q s SER 13 N -2.94 0.14 -0.20 6.55 0.15 -1.26 -4.86 113.70 111.28 3i1q s SER 13 Ca 0.00 -0.64 -0.20 0.00 0.70 0.00 0.00 55.95 55.81 3i1q s SER 13 Cb 0.00 0.32 -0.19 0.00 -1.71 0.00 0.00 66.02 64.43 3i1q s SER 13 CO 0.00 -0.68 0.21 -0.67 1.20 0.00 0.00 173.24 173.29 3i1q n ASP 14 N 0.09 1.88 -4.58 5.45 4.64 -1.26 -4.36 116.55 118.41 3i1q n ASP 14 Ca -0.16 0.40 -0.41 0.00 -1.38 0.00 0.00 54.79 53.25 3i1q n ASP 14 Cb 0.62 -0.96 -0.03 0.00 -1.04 0.00 0.00 41.12 39.71 3i1q n ASP 14 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 3i1q s LYS 15 N -2.38 2.98 0.00 -0.67 2.47 -1.26 -4.54 119.74 116.34 3i1q s LYS 15 Ca -0.29 1.31 0.00 0.00 -1.56 0.00 0.00 55.97 55.43 3i1q s LYS 15 Cb 0.06 -4.32 0.00 0.00 -1.46 0.00 0.00 37.83 32.12 3i1q s LYS 15 CO 0.60 -2.28 0.00 0.00 0.16 0.00 0.00 175.35 173.83 3i1q n MET 16 N 8.73 0.00 -1.83 4.03 0.00 -1.26 -5.01 117.12 121.77 3i1q n MET 16 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.93 3i1q n MET 16 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.71 3i1q n MET 16 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 3i1q n GLU 17 N 0.00 -0.10 -3.49 3.17 2.13 -1.26 0.15 120.64 121.24 3i1q n GLU 17 Ca 0.00 0.06 -0.24 0.00 0.66 0.00 0.00 57.16 57.64 3i1q n GLU 17 Cb 0.00 -0.12 0.07 0.00 0.27 0.00 0.00 31.44 31.66 3i1q n GLU 17 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3i1q n LYS 18 N -0.30 -7.40 -2.54 5.31 5.02 -1.26 -4.91 118.16 112.08 3i1q n LYS 18 Ca -0.01 0.85 -0.11 0.00 -2.02 0.00 0.00 58.31 57.01 3i1q n LYS 18 Cb 0.04 -5.87 0.03 0.00 -0.02 0.00 0.00 35.03 29.22 3i1q n LYS 18 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3i1q n SER 19 N -2.92 2.85 -4.67 4.39 2.88 0.40 -4.24 113.62 112.31 3i1q n SER 19 Ca -0.01 -2.79 -0.43 0.00 -1.33 0.00 0.00 58.87 54.31 3i1q n SER 19 Cb 0.57 -0.44 -0.02 0.00 -0.75 0.00 0.00 64.21 63.57 3i1q n SER 19 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3i1q s ILE 20 N -4.11 4.68 0.55 2.46 1.09 -1.26 -4.84 121.20 119.77 3i1q s ILE 20 Ca 0.36 2.00 0.02 0.00 -1.10 0.00 0.00 60.65 61.93 3i1q s ILE 20 Cb 0.37 -4.29 0.04 0.00 -1.06 0.00 0.00 42.46 37.53 3i1q s ILE 20 CO -0.02 -0.10 0.76 0.68 -0.10 0.00 0.00 174.94 176.16 3i1q s VAL 21 N 2.74 2.65 0.01 2.92 -7.23 -1.26 -2.96 120.40 117.27 3i1q s VAL 21 Ca 0.47 -0.72 0.04 0.00 -1.81 0.00 0.00 61.98 59.95 3i1q s VAL 21 Cb -0.17 -2.92 -0.01 0.00 0.56 0.00 0.00 36.38 33.83 3i1q s VAL 21 CO 0.11 0.00 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.10 3i1q s VAL 22 N -2.73 0.91 -0.87 1.32 1.01 -0.84 -3.79 120.40 115.41 3i1q s VAL 22 Ca 0.58 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.85 3i1q s VAL 22 Cb -0.10 -0.81 0.27 0.00 0.00 0.00 0.00 36.38 35.75 3i1q s VAL 22 CO 0.38 0.09 1.08 0.00 0.00 0.00 0.00 175.10 176.65 3i1q n ALA 23 N 2.34 4.52 -2.05 5.51 0.00 -1.03 -2.07 120.51 127.73 3i1q n ALA 23 Ca -0.16 -4.76 -0.42 0.00 0.00 0.00 0.00 53.44 48.10 3i1q n ALA 23 Cb 0.56 -1.66 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 3i1q n ALA 23 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i1q s ILE 24 N -2.45 3.14 0.53 0.00 1.01 -1.13 -2.96 121.20 119.35 3i1q s ILE 24 Ca 0.34 0.89 0.07 0.00 0.00 0.00 0.00 60.65 61.95 3i1q s ILE 24 Cb 0.07 -3.57 0.04 0.00 0.01 0.00 0.00 42.46 39.02 3i1q s ILE 24 CO 0.02 0.11 0.51 -1.61 0.00 0.00 0.00 174.94 173.97 3i1q s GLU 25 N 0.36 2.32 -0.14 2.79 0.41 -1.26 -1.57 118.70 121.61 3i1q s GLU 25 Ca 0.61 -1.83 -0.34 0.00 -0.41 0.00 0.00 54.97 52.99 3i1q s GLU 25 Cb -0.38 -2.31 0.15 0.00 -1.78 0.00 0.00 34.13 29.81 3i1q s GLU 25 CO 0.36 -0.62 1.38 -0.98 -0.49 0.00 0.00 175.26 174.90 3i1q s ARG 26 N -4.37 0.12 -0.01 1.61 1.70 -1.15 -4.95 118.95 111.90 3i1q s ARG 26 Ca 0.44 -0.06 0.07 0.00 -0.47 0.00 0.00 55.73 55.71 3i1q s ARG 26 Cb -0.03 0.04 -0.02 0.00 -0.57 0.00 0.00 34.95 34.37 3i1q s ARG 26 CO 0.27 -0.05 -0.21 -0.06 -1.08 0.00 0.00 175.30 174.17 3i1q s PHE 27 N -2.14 2.47 -0.02 5.89 0.08 -1.26 -2.46 117.98 120.55 3i1q s PHE 27 Ca 0.13 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.87 3i1q s PHE 27 Cb 0.04 -1.52 0.01 0.00 -0.57 0.00 0.00 43.02 40.98 3i1q s PHE 27 CO -0.05 0.09 -0.02 0.14 -0.10 0.00 0.00 175.22 175.29 3i1q s VAL 28 N -0.72 0.24 -0.53 -0.44 -7.23 -1.08 -4.93 120.40 105.71 3i1q s VAL 28 Ca 0.11 -0.04 -0.28 0.00 -1.81 0.00 0.00 61.98 59.96 3i1q s VAL 28 Cb -0.10 -0.26 0.02 0.00 0.56 0.00 0.00 36.38 36.59 3i1q s VAL 28 CO 0.01 0.11 1.33 -0.75 -0.31 0.00 0.00 175.10 175.49 3i1q s LYS 29 N 0.47 3.46 0.15 4.82 2.36 -1.26 -1.11 119.74 128.62 3i1q s LYS 29 Ca -0.05 0.52 -0.28 0.00 -2.55 0.00 0.00 55.97 53.61 3i1q s LYS 29 Cb -0.08 -4.05 -0.16 0.00 -1.05 0.00 0.00 37.83 32.49 3i1q s LYS 29 CO -0.01 -1.74 0.59 1.58 1.55 0.00 0.00 175.35 177.33 3i1q n HIS 30 N 8.95 -0.23 -0.23 4.03 -0.00 -0.28 -4.82 115.22 122.64 3i1q n HIS 30 Ca 0.12 0.92 0.02 0.00 -0.00 0.00 0.00 57.72 58.78 3i1q n HIS 30 Cb 0.49 -1.85 0.25 0.00 -0.00 0.00 0.00 29.99 28.88 3i1q n HIS 30 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3i1q h PRO 31 N 1.33 0.97 0.00 1.57 0.11 -1.93 -2.71 132.00 131.34 3i1q h PRO 31 Ca -0.31 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3i1q h PRO 31 Cb 1.34 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3i1q h PRO 31 CO 0.55 0.64 -0.22 -0.89 -0.21 0.00 0.00 178.00 177.87 3i1q n ILE 32 N -4.43 0.34 1.26 4.15 -0.00 -1.26 -4.68 119.36 114.73 3i1q n ILE 32 Ca 0.09 0.41 0.03 0.00 -0.00 0.00 0.00 62.75 63.28 3i1q n ILE 32 Cb 0.07 -1.67 0.08 0.00 -0.00 0.00 0.00 39.64 38.12 3i1q n ILE 32 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 3i1q n TYR 33 N -2.93 0.28 -1.18 1.39 0.53 -1.26 -4.89 117.16 109.10 3i1q n TYR 33 Ca -0.03 -0.13 -0.07 0.00 -1.02 0.00 0.00 57.90 56.65 3i1q n TYR 33 Cb 0.11 -0.04 -0.03 0.00 -1.03 0.00 0.00 39.34 38.35 3i1q n TYR 33 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3i1q n GLY 34 N 0.64 0.66 3.82 2.72 0.00 -1.02 -4.90 105.19 107.12 3i1q n GLY 34 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3i1q n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1q s LYS 35 N -2.54 4.04 -0.09 1.61 2.20 -1.26 -4.59 119.74 119.10 3i1q s LYS 35 Ca 0.00 0.52 -0.30 0.00 -0.36 0.00 0.00 55.97 55.83 3i1q s LYS 35 Cb 0.00 -3.24 -0.01 0.00 -1.51 0.00 0.00 37.83 33.06 3i1q s LYS 35 CO 0.00 0.63 1.01 -0.06 -0.36 0.00 0.00 175.35 176.57 3i1q s PHE 36 N -0.95 3.52 0.06 4.03 2.99 -1.25 -1.13 117.98 125.25 3i1q s PHE 36 Ca 0.26 1.60 0.07 0.00 0.00 0.00 0.00 56.93 58.85 3i1q s PHE 36 Cb -0.17 -3.19 -0.03 0.00 0.00 0.00 0.00 43.02 39.63 3i1q s PHE 36 CO 0.15 -0.22 -0.18 0.42 -0.00 0.00 0.00 175.22 175.39 3i1q s ILE 37 N 1.91 1.44 0.04 0.64 1.09 -0.27 -4.86 121.20 121.20 3i1q s ILE 37 Ca 0.49 -1.24 -0.31 0.00 -1.10 0.00 0.00 60.65 58.49 3i1q s ILE 37 Cb -0.19 -1.30 -0.07 0.00 -1.06 0.00 0.00 42.46 39.85 3i1q s ILE 37 CO 0.19 0.02 1.52 -0.54 -0.10 0.00 0.00 174.94 176.03 3i1q s LYS 38 N -1.43 4.24 -0.16 2.79 1.02 -1.26 -2.64 119.74 122.29 3i1q s LYS 38 Ca 0.04 2.15 -0.01 0.00 0.02 0.00 0.00 55.97 58.17 3i1q s LYS 38 Cb -0.09 -3.55 0.04 0.00 -0.52 0.00 0.00 37.83 33.71 3i1q s LYS 38 CO 0.02 -0.64 -0.05 0.50 -0.92 0.00 0.00 175.35 174.27 3i1q s ARG 39 N 2.38 1.40 0.25 1.68 6.06 -1.03 -5.01 118.95 124.69 3i1q s ARG 39 Ca 0.68 -0.50 0.07 0.00 -2.50 0.00 0.00 55.73 53.48 3i1q s ARG 39 Cb -0.36 -1.99 -0.03 0.00 0.06 0.00 0.00 34.95 32.63 3i1q s ARG 39 CO 0.29 -0.43 0.25 0.99 -2.50 0.00 0.00 175.30 173.90 3i1q s THR 40 N 1.64 4.63 -0.30 4.11 2.01 -1.26 -2.93 115.64 123.55 3i1q s THR 40 Ca 0.01 -1.29 -0.02 0.00 0.31 0.00 0.00 61.69 60.70 3i1q s THR 40 Cb -0.15 -3.52 0.12 0.00 0.01 0.00 0.00 72.50 68.96 3i1q s THR 40 CO -0.08 -0.34 0.23 -0.89 -0.69 0.00 0.00 174.62 172.86 3i1q s THR 41 N -2.10 -0.25 0.70 -0.82 2.01 -0.61 -5.03 115.64 109.54 3i1q s THR 41 Ca 0.34 -0.66 -0.13 0.00 0.31 0.00 0.00 61.69 61.55 3i1q s THR 41 Cb -0.08 -0.98 0.02 0.00 0.01 0.00 0.00 72.50 71.48 3i1q s THR 41 CO 0.26 -0.59 1.10 -0.54 -0.69 0.00 0.00 174.62 174.16 3i1q s LYS 42 N 2.17 2.59 -0.17 4.92 1.02 -1.23 -2.85 119.74 126.19 3i1q s LYS 42 Ca 0.10 1.29 -0.08 0.00 0.02 0.00 0.00 55.97 57.29 3i1q s LYS 42 Cb -0.15 -1.93 0.07 0.00 -0.52 0.00 0.00 37.83 35.29 3i1q s LYS 42 CO -0.32 -1.40 0.40 -0.51 -0.92 0.00 0.00 175.35 172.61 3i1q s LEU 43 N -5.30 -0.22 -0.42 3.17 1.43 -0.88 -4.86 118.68 111.61 3i1q s LEU 43 Ca 0.64 0.89 -0.29 0.00 -1.03 0.00 0.00 54.13 54.35 3i1q s LEU 43 Cb -0.19 1.30 0.01 0.00 0.03 0.00 0.00 46.19 47.34 3i1q s LEU 43 CO 0.48 -0.20 1.41 -1.00 0.23 0.00 0.00 176.35 177.26 3i1q s HIS 44 N 1.72 2.40 0.02 0.29 3.76 -1.26 -1.98 115.29 120.23 3i1q s HIS 44 Ca -0.07 0.67 0.07 0.00 -0.15 0.00 0.00 55.06 55.58 3i1q s HIS 44 Cb -0.09 -4.32 -0.03 0.00 1.11 0.00 0.00 32.58 29.25 3i1q s HIS 44 CO -0.12 -1.97 -0.20 0.08 -0.85 0.00 0.00 174.74 171.67 3i1q s VAL 45 N 5.45 2.62 -0.51 -0.90 1.01 -1.16 -3.77 120.40 123.13 3i1q s VAL 45 Ca 0.61 -1.12 -0.27 0.00 0.00 0.00 0.00 61.98 61.19 3i1q s VAL 45 Cb -0.13 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 3i1q s VAL 45 CO 0.33 0.43 1.73 -2.28 0.00 0.00 0.00 175.10 175.31 3i1q s HIS 46 N -0.82 1.86 -1.02 5.22 5.65 0.53 -4.26 115.29 122.46 3i1q s HIS 46 Ca 0.13 0.67 -0.02 0.00 0.25 0.00 0.00 55.06 56.09 3i1q s HIS 46 Cb -0.10 -4.17 0.29 0.00 -1.18 0.00 0.00 32.58 27.41 3i1q s HIS 46 CO 0.03 -2.40 1.98 -0.25 -0.65 0.00 0.00 174.74 173.44 3i1q n ASP 47 N 11.25 7.46 -4.40 9.88 8.00 -1.26 -4.03 116.55 143.46 3i1q n ASP 47 Ca 0.19 -3.62 -0.32 0.00 0.71 0.00 0.00 54.79 51.75 3i1q n ASP 47 Cb 0.50 -1.18 0.15 0.00 -0.02 0.00 0.00 41.12 40.56 3i1q n ASP 47 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3i1q n GLU 48 N 0.15 -0.81 -3.04 -1.24 4.07 -1.26 -2.42 120.64 116.10 3i1q n GLU 48 Ca 0.50 -0.20 -0.20 0.00 -0.06 0.00 0.00 57.16 57.21 3i1q n GLU 48 Cb 0.26 -1.88 -0.04 0.00 -0.06 0.00 0.00 31.44 29.73 3i1q n GLU 48 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 3i1q n ASN 49 N -1.89 -1.08 -3.55 4.31 2.04 -1.26 -2.32 115.26 111.51 3i1q n ASN 49 Ca 0.05 -0.46 -0.19 0.00 -0.44 0.00 0.00 54.58 53.54 3i1q n ASN 49 Cb 0.56 -0.97 -0.06 0.00 -2.53 0.00 0.00 39.78 36.78 3i1q n ASN 49 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 3i1q n ASN 50 N -1.32 0.38 -4.82 0.53 6.94 -1.01 -4.90 115.26 111.07 3i1q n ASN 50 Ca 0.06 -0.76 -0.31 0.00 -0.02 0.00 0.00 54.58 53.55 3i1q n ASN 50 Cb 0.32 -0.95 0.06 0.00 -2.36 0.00 0.00 39.78 36.85 3i1q n ASN 50 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 3i1q s GLU 51 N -5.51 2.84 0.07 -3.83 1.03 -0.98 -4.93 118.70 107.38 3i1q s GLU 51 Ca 0.06 0.96 0.00 0.00 0.03 0.00 0.00 54.97 56.01 3i1q s GLU 51 Cb -0.03 -1.98 0.00 0.00 -0.80 0.00 0.00 34.13 31.32 3i1q s GLU 51 CO 0.60 -1.17 0.00 0.00 -1.33 0.00 0.00 175.26 173.36 3i1q n GLY 53 N -2.30 3.26 3.57 0.00 0.00 -1.26 -4.96 105.19 103.49 3i1q n GLY 53 Ca -0.01 -1.23 -0.50 0.00 0.00 0.00 0.00 46.02 44.29 3i1q n GLY 53 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i1q n ILE 54 N 0.00 0.73 0.00 -0.61 3.06 -1.26 -2.66 119.36 118.61 3i1q n ILE 54 Ca 0.00 -0.18 0.00 0.00 -2.50 0.00 0.00 62.75 60.07 3i1q n ILE 54 Cb 0.00 -0.75 0.00 0.00 0.54 0.00 0.00 39.64 39.43 3i1q n ILE 54 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3i1q n GLY 55 N 2.06 2.87 3.66 4.50 0.00 -1.26 -4.87 105.19 112.15 3i1q n GLY 55 Ca 0.16 -0.36 -0.54 0.00 0.00 0.00 0.00 46.02 45.28 3i1q n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i1q n ASP 56 N 0.63 2.65 -3.46 1.61 10.43 -1.09 -4.48 116.55 122.84 3i1q n ASP 56 Ca 0.00 0.95 -0.40 0.00 2.57 0.00 0.00 54.79 57.90 3i1q n ASP 56 Cb 0.00 -1.22 -0.02 0.00 1.84 0.00 0.00 41.12 41.72 3i1q n ASP 56 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3i1q n VAL 57 N 5.17 4.08 -0.82 2.53 0.31 -0.51 -3.96 118.33 125.13 3i1q n VAL 57 Ca 0.28 -2.80 -0.30 0.00 -0.01 0.00 0.00 64.34 61.51 3i1q n VAL 57 Cb 0.19 -2.60 0.17 0.00 -0.91 0.00 0.00 33.84 30.69 3i1q n VAL 57 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i1q s VAL 58 N 2.37 2.32 -0.02 2.52 0.11 -1.24 -3.17 120.40 123.29 3i1q s VAL 58 Ca 0.62 0.10 0.05 0.00 -2.93 0.00 0.00 61.98 59.82 3i1q s VAL 58 Cb 0.17 -2.27 -0.03 0.00 -1.53 0.00 0.00 36.38 32.72 3i1q s VAL 58 CO -0.07 -0.14 -0.17 -0.70 -3.33 0.00 0.00 175.10 170.70 3i1q s GLU 59 N -4.69 2.33 0.13 1.54 2.12 -1.11 -4.28 118.70 114.73 3i1q s GLU 59 Ca 0.66 -0.81 0.10 0.00 0.36 0.00 0.00 54.97 55.28 3i1q s GLU 59 Cb -0.22 -2.29 -0.04 0.00 0.26 0.00 0.00 34.13 31.85 3i1q s GLU 59 CO 0.59 0.59 -0.24 0.42 -0.54 0.00 0.00 175.26 176.08 3i1q s ILE 60 N -0.78 2.04 0.27 -3.70 1.01 -0.07 0.36 121.20 120.33 3i1q s ILE 60 Ca 0.12 -1.70 0.11 0.00 0.00 0.00 0.00 60.65 59.18 3i1q s ILE 60 Cb -0.11 -1.83 -0.05 0.00 0.01 0.00 0.00 42.46 40.49 3i1q s ILE 60 CO 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 174.94 174.82 3i1q s ARG 61 N -2.08 1.87 0.46 2.79 1.70 -0.76 -3.73 118.95 119.21 3i1q s ARG 61 Ca 0.12 -1.65 -0.05 0.00 -0.47 0.00 0.00 55.73 53.68 3i1q s ARG 61 Cb -0.10 -1.89 -0.04 0.00 -0.57 0.00 0.00 34.95 32.35 3i1q s ARG 61 CO 0.06 0.34 0.76 -2.00 -1.08 0.00 0.00 175.30 173.38 3i1q s GLU 62 N -3.54 3.54 0.00 3.89 2.12 -1.26 -2.48 118.70 120.97 3i1q s GLU 62 Ca 0.30 0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.78 3i1q s GLU 62 Cb -0.06 -2.41 0.00 0.00 0.26 0.00 0.00 34.13 31.93 3i1q s GLU 62 CO 0.16 -0.16 0.00 0.00 -0.54 0.00 0.00 175.26 174.72 3i1q s ARG 64 N -1.10 3.01 -0.14 0.00 3.03 -1.26 -4.79 118.95 117.69 3i1q s ARG 64 Ca 0.00 1.81 -0.29 0.00 2.03 0.00 0.00 55.73 59.28 3i1q s ARG 64 Cb 0.00 -1.94 -0.05 0.00 -1.03 0.00 0.00 34.95 31.93 3i1q s ARG 64 CO 0.00 -1.17 1.86 -2.14 -1.13 0.00 0.00 175.30 172.72 3i1q s PRO 65 N -3.32 3.74 -0.15 3.89 0.02 -1.26 -4.61 135.00 133.30 3i1q s PRO 65 Ca 0.77 2.03 -0.15 0.00 0.02 0.00 0.00 61.00 63.67 3i1q s PRO 65 Cb -0.30 -4.15 -0.12 0.00 0.02 0.00 0.00 34.50 29.95 3i1q s PRO 65 CO 0.32 -1.39 0.19 -0.07 -0.33 0.00 0.00 177.00 175.73 3i1q h LEU 66 N 12.19 0.00 0.00 -5.54 3.38 0.61 -3.49 115.31 122.46 3i1q h LEU 66 Ca -0.40 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.20 3i1q h LEU 66 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3i1q h LEU 66 CO 0.97 0.96 0.00 -1.54 0.09 0.00 0.00 178.44 178.92 3i1q n SER 67 N -4.60 0.22 -4.62 -0.43 3.41 -1.17 -5.00 113.62 101.42 3i1q n SER 67 Ca -0.13 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.05 3i1q n SER 67 Cb 0.37 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 3i1q n SER 67 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3i1q s LYS 68 N 1.79 3.74 -0.66 4.33 2.20 -1.26 -3.70 119.74 126.17 3i1q s LYS 68 Ca 0.00 1.27 -0.13 0.00 -0.36 0.00 0.00 55.97 56.75 3i1q s LYS 68 Cb 0.00 -3.99 0.02 0.00 -1.51 0.00 0.00 37.83 32.35 3i1q s LYS 68 CO 0.00 -1.36 0.64 2.41 -0.36 0.00 0.00 175.35 176.68 3i1q n THR 69 N 6.62 -5.51 -3.14 3.43 -1.04 -1.26 -4.98 114.28 108.39 3i1q n THR 69 Ca 0.17 0.07 -0.01 0.00 -2.04 0.00 0.00 64.05 62.24 3i1q n THR 69 Cb 0.47 -4.26 -0.01 0.00 -1.82 0.00 0.00 70.33 64.70 3i1q n THR 69 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3i1q s LYS 70 N -3.66 0.86 -0.43 -2.82 2.20 -1.24 -4.57 119.74 110.07 3i1q s LYS 70 Ca 0.14 -0.44 0.10 0.00 -0.36 0.00 0.00 55.97 55.40 3i1q s LYS 70 Cb -0.02 0.02 0.39 0.00 -1.51 0.00 0.00 37.83 36.72 3i1q s LYS 70 CO 0.85 -1.22 0.95 0.43 -0.36 0.00 0.00 175.35 176.00 3i1q n SER 71 N 4.14 3.01 -3.74 1.43 7.64 -1.25 0.12 113.62 124.98 3i1q n SER 71 Ca 0.12 -3.31 -0.13 0.00 1.01 0.00 0.00 58.87 56.56 3i1q n SER 71 Cb 0.56 -0.54 -0.10 0.00 -1.01 0.00 0.00 64.21 63.12 3i1q n SER 71 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3i1q s TRP 72 N -3.18 -0.44 -0.05 1.43 0.52 -1.25 -3.41 118.94 112.56 3i1q s TRP 72 Ca 0.41 1.06 0.02 0.00 0.02 0.00 0.00 56.10 57.61 3i1q s TRP 72 Cb 0.37 0.15 0.02 0.00 -1.15 0.00 0.00 33.47 32.86 3i1q s TRP 72 CO -0.10 -0.21 -0.09 0.99 0.02 0.00 0.00 176.95 177.56 3i1q s THR 73 N 0.20 0.90 0.96 2.01 2.01 -1.04 0.20 115.64 120.88 3i1q s THR 73 Ca -0.00 -0.35 -0.12 0.00 0.31 0.00 0.00 61.69 61.53 3i1q s THR 73 Cb -0.03 -0.85 0.17 0.00 0.01 0.00 0.00 72.50 71.80 3i1q s THR 73 CO 0.01 0.30 1.09 -1.48 -0.69 0.00 0.00 174.62 173.84 3i1q s LEU 74 N 0.69 1.97 0.05 4.42 -0.00 -1.26 -1.83 118.68 122.72 3i1q s LEU 74 Ca -0.13 1.51 0.00 0.00 -0.00 0.00 0.00 54.13 55.51 3i1q s LEU 74 Cb -0.15 -3.81 0.00 0.00 -0.00 0.00 0.00 46.19 42.24 3i1q s LEU 74 CO 0.02 -3.02 0.00 0.52 -0.00 0.00 0.00 176.35 173.87 3i1q n VAL 75 N -4.13 0.05 -3.41 1.48 0.31 0.16 -4.79 118.33 107.99 3i1q n VAL 75 Ca 0.06 0.02 -0.22 0.00 -0.01 0.00 0.00 64.34 64.19 3i1q n VAL 75 Cb 0.55 -0.71 0.03 0.00 -0.91 0.00 0.00 33.84 32.80 3i1q n VAL 75 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3i1q s ARG 76 N -2.00 2.32 -0.09 5.55 3.52 -1.17 -4.95 118.95 122.12 3i1q s ARG 76 Ca 0.00 -1.78 -0.10 0.00 -0.13 0.00 0.00 55.73 53.73 3i1q s ARG 76 Cb 0.00 -2.41 0.03 0.00 -1.56 0.00 0.00 34.95 31.00 3i1q s ARG 76 CO 0.00 -0.70 0.27 0.08 -0.81 0.00 0.00 175.30 174.13 3i1q s VAL 77 N -2.69 0.01 0.02 7.11 1.01 -1.26 -2.77 120.40 121.83 3i1q s VAL 77 Ca 0.49 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.31 3i1q s VAL 77 Cb -0.04 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 35.96 3i1q s VAL 77 CO 0.31 -0.03 0.25 -0.69 0.00 0.00 0.00 175.10 174.94 3i1q s VAL 78 N 0.01 0.08 0.57 2.92 1.01 -1.19 -4.92 120.40 118.89 3i1q s VAL 78 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3i1q s VAL 78 Cb -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.58 3i1q s VAL 78 CO 0.01 -0.38 0.00 -0.62 0.00 0.00 0.00 175.10 174.10 3i1q n GLU 79 N 0.91 -3.17 0.00 2.72 4.71 -1.26 -1.43 120.64 123.13 3i1q n GLU 79 Ca -0.20 2.54 0.00 0.00 -0.01 0.00 0.00 57.16 59.49 3i1q n GLU 79 Cb 0.58 -3.72 0.00 0.00 -1.01 0.00 0.00 31.44 27.29 3i1q n GLU 79 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3i1q n LYS 80 N -4.25 0.00 -2.91 3.49 4.01 -1.26 -4.56 118.16 112.68 3i1q n LYS 80 Ca -0.08 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.29 3i1q n LYS 80 Cb 0.66 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 35.13 3i1q n LYS 80 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i1q s ALA 81 N -0.38 3.20 -2.93 7.82 0.00 -1.26 -4.91 121.76 123.31 3i1q s ALA 81 Ca 0.00 -1.40 0.25 0.00 0.00 0.00 0.00 51.96 50.81 3i1q s ALA 81 Cb 0.00 -3.67 0.32 0.00 0.00 0.00 0.00 23.12 19.77 3i1q s ALA 81 CO 0.00 -2.34 1.33 1.55 0.00 0.00 0.00 175.76 176.30