#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfd n ASP 34 N 0.00 4.94 -4.46 3.42 8.00 -1.26 -5.05 116.55 122.14 3hfd n ASP 34 Ca 0.00 -3.72 -0.23 0.00 0.71 0.00 0.00 54.79 51.55 3hfd n ASP 34 Cb 0.00 -0.56 -0.10 0.00 -0.02 0.00 0.00 41.12 40.44 3hfd n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hfd s LEU 35 N -3.59 2.60 0.88 0.64 1.43 -1.26 -5.15 118.68 114.23 3hfd s LEU 35 Ca 0.48 -1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 52.35 3hfd s LEU 35 Cb 0.36 -0.91 0.12 0.00 0.03 0.00 0.00 46.19 45.79 3hfd s LEU 35 CO -0.19 -0.13 1.19 0.42 0.23 0.00 0.00 176.35 177.87 3hfd s THR 36 N -2.71 1.99 0.21 5.49 -4.23 -1.26 -4.90 115.64 110.22 3hfd s THR 36 Ca 0.29 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.83 3hfd s THR 36 Cb -0.01 -2.91 -0.08 0.00 1.34 0.00 0.00 72.50 70.84 3hfd s THR 36 CO 0.13 0.00 1.49 -0.33 -0.54 0.00 0.00 174.62 175.37 3hfd h GLU 37 N -1.33 0.24 -0.95 3.99 4.39 -2.01 -1.38 114.58 117.54 3hfd h GLU 37 Ca -0.47 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.03 3hfd h GLU 37 Cb 1.31 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.96 3hfd h GLU 37 CO 0.59 0.85 0.58 0.93 -1.16 0.00 0.00 179.01 180.81 3hfd h GLU 38 N 0.17 1.29 0.00 2.33 5.08 -2.00 -1.72 114.58 119.73 3hfd h GLU 38 Ca -0.02 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 3hfd h GLU 38 Cb 1.25 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 3hfd h GLU 38 CO 0.11 0.89 -0.36 1.96 -1.00 0.00 0.00 179.01 180.61 3hfd h GLN 39 N 1.31 0.00 -0.17 2.33 4.20 -1.87 -2.58 115.11 118.34 3hfd h GLN 39 Ca 0.34 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.92 3hfd h GLN 39 Cb -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3hfd h GLN 39 CO -0.07 0.36 -0.43 0.87 -0.67 0.00 0.00 178.83 178.90 3hfd h LYS 40 N 0.00 0.59 -0.48 1.46 1.57 -0.75 -2.63 116.57 116.33 3hfd h LYS 40 Ca -0.00 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 58.34 3hfd h LYS 40 Cb 1.04 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 3hfd h LYS 40 CO 0.05 1.02 0.17 0.93 -0.57 0.00 0.00 179.45 181.05 3hfd h GLU 41 N 0.24 0.69 0.00 3.15 4.39 -1.23 -0.11 114.58 121.72 3hfd h GLU 41 Ca -0.01 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 3hfd h GLU 41 Cb 1.04 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.56 3hfd h GLU 41 CO 0.09 0.59 -0.13 1.15 -1.16 0.00 0.00 179.01 179.55 3hfd h THR 42 N 0.68 0.99 0.08 1.13 2.02 -1.46 -2.03 112.91 114.33 3hfd h THR 42 Ca 0.16 -0.47 -0.16 0.00 0.77 0.00 0.00 66.41 66.71 3hfd h THR 42 Cb 0.17 1.26 0.02 0.00 -1.74 0.00 0.00 68.15 67.86 3hfd h THR 42 CO -0.01 0.13 -0.69 0.25 0.37 0.00 0.00 175.52 175.57 3hfd h LEU 43 N 0.00 0.47 -0.58 2.58 5.85 -0.73 -2.16 115.31 120.74 3hfd h LEU 43 Ca -0.00 -0.88 0.08 0.00 0.84 0.00 0.00 57.88 57.92 3hfd h LEU 43 Cb 0.25 -0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.03 3hfd h LEU 43 CO 0.02 1.30 -0.47 0.11 -0.34 0.00 0.00 178.44 179.06 3hfd h LYS 44 N -0.30 -0.23 -0.55 1.25 1.57 -0.92 0.72 116.57 118.12 3hfd h LYS 44 Ca -0.11 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.77 3hfd h LYS 44 Cb 1.48 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.77 3hfd h LYS 44 CO 0.13 -0.16 0.19 0.87 -0.57 0.00 0.00 179.45 179.91 3hfd h LYS 45 N -0.24 0.35 -0.36 3.15 1.57 -1.41 0.41 116.57 120.03 3hfd h LYS 45 Ca 0.16 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3hfd h LYS 45 Cb 0.56 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3hfd h LYS 45 CO -0.69 0.23 0.14 -0.07 -0.57 0.00 0.00 179.45 178.48 3hfd h LEU 46 N 0.36 0.51 -1.17 2.94 4.07 -0.56 0.25 115.31 121.70 3hfd h LEU 46 Ca 0.27 -0.18 0.03 0.00 0.08 0.00 0.00 57.88 58.08 3hfd h LEU 46 Cb 0.32 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 41.88 3hfd h LEU 46 CO -0.29 0.55 0.56 0.11 -1.08 0.00 0.00 178.44 178.29 3hfd h LYS 47 N 0.44 1.06 0.21 1.13 1.79 0.12 -1.01 116.57 120.31 3hfd h LYS 47 Ca 0.12 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 3hfd h LYS 47 Cb 0.20 -0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 3hfd h LYS 47 CO -0.01 0.70 -0.10 1.25 -1.08 0.00 0.00 179.45 180.21 3hfd h LEU 48 N 1.09 -0.24 -1.59 2.94 5.85 0.61 -2.28 115.31 121.69 3hfd h LEU 48 Ca 0.33 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 3hfd h LEU 48 Cb -0.02 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3hfd h LEU 48 CO -0.09 -0.00 -0.20 1.88 -0.34 0.00 0.00 178.44 179.68 3hfd h TYR 49 N -0.48 0.00 0.00 1.25 0.05 -0.76 -1.84 116.97 115.20 3hfd h TYR 49 Ca -0.03 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.75 3hfd h TYR 49 Cb 0.36 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.10 3hfd h TYR 49 CO -0.01 0.21 0.00 0.37 -1.05 0.00 0.00 178.16 177.68 3hfd h GLN 50 N 0.00 0.00 0.02 4.88 5.75 -1.08 -1.76 115.11 122.92 3hfd h GLN 50 Ca -0.00 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.44 3hfd h GLN 50 Cb 0.36 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.92 3hfd h GLN 50 CO 0.03 0.00 -0.23 -0.22 -2.65 0.00 0.00 178.83 175.76 3hfd h LYS 51 N 0.00 0.11 -0.99 1.69 1.63 -0.75 -2.89 116.57 115.37 3hfd h LYS 51 Ca 0.00 -0.15 0.09 0.00 -0.85 0.00 0.00 60.65 59.74 3hfd h LYS 51 Cb 0.81 0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 32.42 3hfd h LYS 51 CO 0.00 0.98 0.64 1.49 -3.45 0.00 0.00 179.45 179.11 3hfd h GLU 52 N -0.68 1.04 -0.01 1.90 4.81 -1.34 -1.18 114.58 119.13 3hfd h GLU 52 Ca -0.03 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3hfd h GLU 52 Cb 1.08 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 3hfd h GLU 52 CO 0.04 0.69 -0.11 -0.92 -0.73 0.00 0.00 179.01 177.98 3hfd h TYR 53 N 1.08 -0.29 -0.36 0.92 3.20 -1.39 -1.95 116.97 118.17 3hfd h TYR 53 Ca 0.46 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.42 3hfd h TYR 53 Cb 0.32 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 3hfd h TYR 53 CO -0.00 -0.17 0.25 1.88 -1.64 0.00 0.00 178.16 178.48 3hfd h TYR 54 N -0.19 0.09 0.24 -3.82 0.05 -1.08 0.16 116.97 112.41 3hfd h TYR 54 Ca 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 3hfd h TYR 54 Cb 0.25 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.96 3hfd h TYR 54 CO -0.18 0.05 -0.12 -0.44 -1.05 0.00 0.00 178.16 176.42 3hfd h ASP 55 N 0.09 -0.27 -0.82 3.88 3.32 -0.68 -2.46 116.42 119.47 3hfd h ASP 55 Ca 0.17 -0.26 0.12 0.00 0.02 0.00 0.00 57.03 57.09 3hfd h ASP 55 Cb 0.56 0.07 -0.06 0.00 0.22 0.00 0.00 39.33 40.12 3hfd h ASP 55 CO -0.02 0.20 0.53 1.88 -1.72 0.00 0.00 179.24 180.11 3hfd h TYR 56 N -0.84 0.73 -0.85 4.55 0.05 -0.85 0.11 116.97 119.87 3hfd h TYR 56 Ca -0.03 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3hfd h TYR 56 Cb 0.51 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 37.98 3hfd h TYR 56 CO 0.05 0.30 0.53 1.49 -1.05 0.00 0.00 178.16 179.49 3hfd h GLU 57 N 0.65 1.14 -0.42 4.88 4.81 -0.69 -1.34 114.58 123.60 3hfd h GLU 57 Ca 0.39 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.47 3hfd h GLU 57 Cb 0.63 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3hfd h GLU 57 CO -0.16 0.78 -0.00 0.77 -0.73 0.00 0.00 179.01 179.67 3hfd h SER 58 N 1.16 0.73 -0.71 1.04 0.02 -0.36 -0.74 113.55 114.68 3hfd h SER 58 Ca 0.31 -0.31 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3hfd h SER 58 Cb -0.08 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.22 3hfd h SER 58 CO -0.06 0.86 0.44 0.11 -1.14 0.00 0.00 176.83 177.05 3hfd h LYS 59 N 0.58 0.84 0.74 3.45 1.57 -0.61 0.62 116.57 123.77 3hfd h LYS 59 Ca 0.12 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3hfd h LYS 59 Cb 0.49 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.62 3hfd h LYS 59 CO 0.02 0.56 -0.36 0.35 -0.57 0.00 0.00 179.45 179.45 3hfd h PHE 60 N 0.87 -0.93 -1.01 -1.35 3.57 -1.11 -0.09 116.94 116.89 3hfd h PHE 60 Ca 0.28 -0.02 0.21 0.00 3.53 0.00 0.00 57.97 61.97 3hfd h PHE 60 Cb 0.02 0.31 -0.11 0.00 2.79 0.00 0.00 35.95 38.95 3hfd h PHE 60 CO -0.04 -0.57 0.61 0.93 -2.23 0.00 0.00 178.31 177.01 3hfd h GLU 61 N -1.05 0.68 0.81 1.11 5.08 -0.80 0.47 114.58 120.88 3hfd h GLU 61 Ca -0.10 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 3hfd h GLU 61 Cb 0.78 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.88 3hfd h GLU 61 CO 0.17 0.45 -0.39 -0.92 -1.00 0.00 0.00 179.01 177.32 3hfd h TYR 62 N 0.70 -1.01 -0.85 4.33 3.20 -0.67 -1.81 116.97 120.86 3hfd h TYR 62 Ca 0.60 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.59 3hfd h TYR 62 Cb 1.01 0.33 -0.09 0.00 1.54 0.00 0.00 36.73 39.52 3hfd h TYR 62 CO -0.00 -0.62 0.45 0.93 -1.64 0.00 0.00 178.16 177.28 3hfd h GLU 63 N -1.24 0.63 -0.79 1.82 5.08 0.05 0.14 114.58 120.27 3hfd h GLU 63 Ca -0.11 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 3hfd h GLU 63 Cb 0.84 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 3hfd h GLU 63 CO 0.18 0.42 0.52 1.25 -1.00 0.00 0.00 179.01 180.38 3hfd h LEU 64 N 0.65 0.91 -0.18 1.33 5.85 -0.09 -1.12 115.31 122.67 3hfd h LEU 64 Ca 0.46 -0.03 -0.22 0.00 0.84 0.00 0.00 57.88 58.93 3hfd h LEU 64 Cb 0.63 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 3hfd h LEU 64 CO -0.35 0.67 -0.95 -0.26 -0.34 0.00 0.00 178.44 177.21 3hfd h PHE 65 N 1.08 0.54 -0.15 1.25 -1.00 0.08 -1.22 116.94 117.51 3hfd h PHE 65 Ca 0.29 -0.30 0.03 0.00 2.81 0.00 0.00 57.97 60.80 3hfd h PHE 65 Cb -0.11 -0.06 -0.06 0.00 3.61 0.00 0.00 35.95 39.33 3hfd h PHE 65 CO 0.00 1.12 -0.48 -0.07 -1.61 0.00 0.00 178.31 177.28 3hfd h LEU 66 N 0.20 -1.52 -0.87 1.54 3.38 -0.76 -2.91 115.31 114.36 3hfd h LEU 66 Ca -0.08 0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.14 3hfd h LEU 66 Cb 1.59 0.60 -0.06 0.00 0.09 0.00 0.00 40.66 42.87 3hfd h LEU 66 CO 0.16 -0.41 0.54 0.25 0.09 0.00 0.00 178.44 179.07 3hfd h LEU 67 N -0.49 0.85 -0.25 1.67 5.85 -0.85 0.14 115.31 122.23 3hfd h LEU 67 Ca 0.03 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3hfd h LEU 67 Cb 0.58 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3hfd h LEU 67 CO -0.40 0.54 0.10 0.03 -0.34 0.00 0.00 178.44 178.37 3hfd h ARG 68 N 0.98 0.38 0.49 1.25 3.08 -1.29 -3.07 114.38 116.21 3hfd h ARG 68 Ca 0.38 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.33 3hfd h ARG 68 Cb 0.17 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3hfd h ARG 68 CO -0.17 0.43 -0.23 1.96 -1.07 0.00 0.00 179.97 180.88 3hfd h GLN 69 N 0.25 -0.63 -0.87 0.04 1.08 -1.12 0.20 115.11 114.06 3hfd h GLN 69 Ca 0.08 0.04 0.31 0.00 -1.45 0.00 0.00 58.65 57.64 3hfd h GLN 69 Cb 0.19 0.14 -0.16 0.00 -0.05 0.00 0.00 27.48 27.61 3hfd h GLN 69 CO -0.01 -0.37 0.29 1.17 -0.95 0.00 0.00 178.83 178.96 3hfd n LYS 70 N -5.33 -0.06 -0.00 1.46 4.81 0.39 -0.81 118.16 118.62 3hfd n LYS 70 Ca -0.12 1.24 -0.16 0.00 -0.87 0.00 0.00 58.31 58.41 3hfd n LYS 70 Cb 0.29 -2.12 -0.14 0.00 0.02 0.00 0.00 35.03 33.08 3hfd n LYS 70 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 3hfd h TYR 71 N 0.00 0.28 -0.76 5.64 0.05 -1.42 -2.90 116.97 117.85 3hfd h TYR 71 Ca 0.65 -0.20 0.17 0.00 0.05 0.00 0.00 58.73 59.40 3hfd h TYR 71 Cb 1.60 -0.01 -0.14 0.00 1.01 0.00 0.00 36.73 39.19 3hfd h TYR 71 CO -0.19 1.42 -0.06 1.25 -1.05 0.00 0.00 178.16 179.53 3hfd h HIS 72 N 0.04 -0.18 -0.25 4.88 -0.00 0.11 0.77 115.15 120.53 3hfd h HIS 72 Ca -0.35 0.06 0.01 0.00 -0.00 0.00 0.00 60.37 60.08 3hfd h HIS 72 Cb 2.03 0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 29.62 3hfd h HIS 72 CO 0.04 -0.28 0.15 -0.44 -0.00 0.00 0.00 177.93 177.41 3hfd h ASP 73 N 0.06 0.26 -0.77 3.26 5.19 -1.38 -2.46 116.42 120.58 3hfd h ASP 73 Ca 0.40 -0.00 0.12 0.00 -0.62 0.00 0.00 57.03 56.93 3hfd h ASP 73 Cb 0.69 -0.06 -0.05 0.00 0.18 0.00 0.00 39.33 40.09 3hfd h ASP 73 CO -0.72 0.19 0.51 -0.07 -3.12 0.00 0.00 179.24 176.03 3hfd h LEU 74 N 0.32 0.55 0.09 1.55 3.38 -0.76 -3.05 115.31 117.39 3hfd h LEU 74 Ca 0.09 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3hfd h LEU 74 Cb -0.02 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3hfd h LEU 74 CO -0.03 0.31 -0.04 1.88 0.09 0.00 0.00 178.44 180.65 3hfd h TYR 75 N 0.60 -0.12 0.00 1.13 0.05 -0.65 -3.39 116.97 114.60 3hfd h TYR 75 Ca 0.37 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.14 3hfd h TYR 75 Cb 0.60 0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.38 3hfd h TYR 75 CO -0.00 0.41 0.00 0.41 -1.05 0.00 0.00 178.16 177.93 3hfd n GLY 76 N 0.87 0.00 0.30 3.88 0.00 -0.95 0.30 105.19 109.59 3hfd n GLY 76 Ca -0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.05 3hfd n GLY 76 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hfd h PRO 77 N 0.00 0.32 -0.37 1.61 0.11 -1.75 0.25 132.00 132.16 3hfd h PRO 77 Ca 0.00 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.15 3hfd h PRO 77 Cb 0.00 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 30.98 3hfd h PRO 77 CO 0.00 0.21 0.05 0.82 -0.21 0.00 0.00 178.00 178.87 3hfd h ILE 78 N 0.33 0.78 -0.89 4.15 2.04 -0.37 0.79 117.51 124.34 3hfd h ILE 78 Ca 0.51 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 66.32 3hfd h ILE 78 Cb 0.96 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 3hfd h ILE 78 CO -0.55 0.03 0.55 1.88 0.00 0.00 0.00 178.15 180.07 3hfd h TYR 79 N 0.16 1.16 -0.41 1.37 0.05 -0.32 -0.37 116.97 118.60 3hfd h TYR 79 Ca 0.18 0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.90 3hfd h TYR 79 Cb 0.23 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 37.57 3hfd h TYR 79 CO -0.21 0.76 0.01 -0.44 -1.05 0.00 0.00 178.16 177.22 3hfd h ASP 80 N 1.22 0.71 -0.30 3.88 3.32 -0.33 -0.51 116.42 124.42 3hfd h ASP 80 Ca 0.32 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3hfd h ASP 80 Cb -0.08 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 3hfd h ASP 80 CO -0.06 0.84 0.15 0.11 -1.72 0.00 0.00 179.24 178.56 3hfd h LYS 81 N 0.56 0.47 -0.11 3.56 1.57 0.11 0.21 116.57 122.95 3hfd h LYS 81 Ca 0.12 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.65 3hfd h LYS 81 Cb 0.47 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.70 3hfd h LYS 81 CO 0.02 0.38 -0.70 -0.09 -0.57 0.00 0.00 179.45 178.49 3hfd h ARG 82 N 0.47 0.66 -0.77 3.15 2.43 -0.93 -2.32 114.38 117.08 3hfd h ARG 82 Ca 0.12 -0.57 0.02 0.00 -0.81 0.00 0.00 59.98 58.74 3hfd h ARG 82 Cb 0.07 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 3hfd h ARG 82 CO -0.02 1.19 0.50 -0.09 -1.51 0.00 0.00 179.97 180.04 3hfd h ARG 83 N 0.33 0.98 -0.98 0.20 2.43 -0.48 -1.91 114.38 114.94 3hfd h ARG 83 Ca -0.06 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3hfd h ARG 83 Cb 1.35 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 30.63 3hfd h ARG 83 CO 0.14 0.65 0.63 1.49 -1.51 0.00 0.00 179.97 181.37 3hfd h GLU 84 N 1.00 1.30 -0.22 0.20 4.57 -0.56 0.05 114.58 120.93 3hfd h GLU 84 Ca 0.29 -0.09 -0.15 0.00 -1.18 0.00 0.00 59.36 58.23 3hfd h GLU 84 Cb -0.06 -0.29 -0.01 0.00 -0.16 0.00 0.00 28.75 28.23 3hfd h GLU 84 CO -0.08 0.88 -0.50 0.00 -1.18 0.00 0.00 179.01 178.12 3hfd h ALA 85 N 1.35 0.72 0.03 2.92 0.00 -1.02 0.01 119.26 123.27 3hfd h ALA 85 Ca 0.36 -0.49 -0.26 0.00 0.00 0.00 0.00 54.91 54.52 3hfd h ALA 85 Cb -0.13 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.59 3hfd h ALA 85 CO -0.07 0.68 -1.05 -0.07 0.00 0.00 0.00 179.25 178.73 3hfd h LEU 86 N 0.47 0.73 0.00 0.00 3.38 -1.10 -3.43 115.31 115.36 3hfd h LEU 86 Ca 0.02 -0.61 -0.02 0.00 0.09 0.00 0.00 57.88 57.35 3hfd h LEU 86 Cb 1.04 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 3hfd h LEU 86 CO 0.10 1.42 -0.89 0.52 0.09 0.00 0.00 178.44 179.68 3hfd n VAL 87 N -3.78 1.43 -3.66 1.22 0.31 -0.02 -1.05 118.33 112.77 3hfd n VAL 87 Ca -0.10 0.16 -0.21 0.00 -0.01 0.00 0.00 64.34 64.18 3hfd n VAL 87 Cb 0.89 -2.17 0.04 0.00 -0.91 0.00 0.00 33.84 31.70 3hfd n VAL 87 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hfd n GLY 88 N 1.86 -0.32 3.56 2.92 0.00 -0.01 -4.70 105.19 108.49 3hfd n GLY 88 Ca -0.13 0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3hfd n GLY 88 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hfd s ASN 89 N -4.26 6.11 0.10 1.61 3.84 -1.26 -4.65 114.94 116.42 3hfd s ASN 89 Ca 0.06 -0.96 0.24 0.00 0.21 0.00 0.00 52.86 52.42 3hfd s ASN 89 Cb -0.03 -2.56 0.28 0.00 -0.55 0.00 0.00 41.25 38.39 3hfd s ASN 89 CO 0.80 -1.85 1.25 0.61 -2.79 0.00 0.00 177.10 175.12 3hfd n GLY 90 N 6.44 -1.36 3.62 1.21 0.00 -1.26 -5.01 105.19 108.84 3hfd n GLY 90 Ca 0.26 -0.29 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 3hfd n GLY 90 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hfd s GLU 91 N -3.17 0.44 -0.30 1.61 2.12 -1.26 -5.18 118.70 112.97 3hfd s GLU 91 Ca 0.06 -0.23 -0.24 0.00 0.36 0.00 0.00 54.97 54.92 3hfd s GLU 91 Cb 0.14 0.16 0.19 0.00 0.26 0.00 0.00 34.13 34.88 3hfd s GLU 91 CO 0.74 -0.20 1.39 0.00 -0.54 0.00 0.00 175.26 176.65 3hfd s ALA 92 N -2.50 -2.27 -0.03 6.30 0.00 -1.26 -4.94 121.76 117.05 3hfd s ALA 92 Ca 0.13 1.74 0.05 0.00 0.00 0.00 0.00 51.96 53.87 3hfd s ALA 92 Cb 0.03 -1.79 0.07 0.00 0.00 0.00 0.00 23.12 21.43 3hfd s ALA 92 CO -0.04 -0.14 0.91 1.63 0.00 0.00 0.00 175.76 178.13 3hfd n LYS 93 N 1.85 0.91 -3.79 0.00 4.76 -1.26 -4.69 118.16 115.94 3hfd n LYS 93 Ca -0.11 -1.37 -0.10 0.00 -2.87 0.00 0.00 58.31 53.86 3hfd n LYS 93 Cb 0.57 -0.85 -0.05 0.00 -1.84 0.00 0.00 35.03 32.86 3hfd n LYS 93 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 3hfd s ILE 94 N -0.91 0.06 0.25 -0.18 1.10 -1.26 -4.86 121.20 115.40 3hfd s ILE 94 Ca 0.08 -0.94 -0.30 0.00 -0.51 0.00 0.00 60.65 58.98 3hfd s ILE 94 Cb 0.07 -1.51 -0.09 0.00 0.15 0.00 0.00 42.46 41.08 3hfd s ILE 94 CO 0.01 -0.29 1.00 -0.83 -2.11 0.00 0.00 174.94 172.72 3hfd s GLY 95 N -2.88 3.09 -1.19 1.50 0.00 -0.94 -4.27 107.32 102.63 3hfd s GLY 95 Ca 0.09 0.72 -0.23 0.00 0.00 0.00 0.00 44.72 45.31 3hfd s GLY 95 CO -0.06 1.32 0.44 -1.30 0.00 0.00 0.00 173.10 173.50 3hfd n THR 96 N 1.44 -1.93 0.06 0.90 -2.24 -1.24 -4.20 114.28 107.07 3hfd n THR 96 Ca -0.01 -0.51 0.21 0.00 -2.27 0.00 0.00 64.05 61.46 3hfd n THR 96 Cb 0.46 -1.68 0.74 0.00 -2.10 0.00 0.00 70.33 67.75 3hfd n THR 96 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3hfd h PRO 97 N -1.97 0.00 0.00 -0.78 0.13 -1.67 0.20 132.00 127.91 3hfd h PRO 97 Ca -0.64 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 3hfd h PRO 97 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3hfd h PRO 97 CO 0.52 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.38 3hfd n ASN 98 N -3.90 0.02 -2.94 1.44 3.02 -0.22 -4.23 115.26 108.44 3hfd n ASN 98 Ca 0.08 0.50 -0.07 0.00 -0.03 0.00 0.00 54.58 55.06 3hfd n ASN 98 Cb 0.62 -0.51 -0.01 0.00 -0.61 0.00 0.00 39.78 39.27 3hfd n ASN 98 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3hfd s LEU 99 N -3.04 -1.00 0.36 3.41 2.96 0.69 -4.96 118.68 117.10 3hfd s LEU 99 Ca 0.12 -1.78 -0.27 0.00 -0.22 0.00 0.00 54.13 51.98 3hfd s LEU 99 Cb 0.16 1.52 -0.12 0.00 0.50 0.00 0.00 46.19 48.25 3hfd s LEU 99 CO 0.46 -0.09 1.19 -2.65 -1.32 0.00 0.00 176.35 173.94 3hfd n PRO 100 N 3.20 1.83 -2.38 0.98 -0.02 -1.12 -2.80 135.00 134.69 3hfd n PRO 100 Ca 0.18 0.65 -0.18 0.00 -2.02 0.00 0.00 63.50 62.13 3hfd n PRO 100 Cb 0.54 -2.21 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 3hfd n PRO 100 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hfd n GLU 101 N 0.40 -1.60 0.10 -0.52 1.02 -1.26 -4.93 120.64 113.86 3hfd n GLU 101 Ca 0.07 0.88 -0.13 0.00 -0.02 0.00 0.00 57.16 57.95 3hfd n GLU 101 Cb 0.37 -5.40 -0.08 0.00 -0.02 0.00 0.00 31.44 26.31 3hfd n GLU 101 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3hfd h PHE 102 N -0.06 -0.24 0.12 -0.32 3.57 -1.83 -1.97 116.94 116.20 3hfd h PHE 102 Ca -0.43 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.05 3hfd h PHE 102 Cb 1.32 0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.14 3hfd h PHE 102 CO 0.48 0.07 -0.06 -1.49 -2.23 0.00 0.00 178.31 175.08 3hfd h TRP 103 N -0.56 -0.15 -0.53 0.41 4.06 -1.88 -0.15 115.95 117.17 3hfd h TRP 103 Ca -0.03 -0.00 0.06 0.00 2.06 0.00 0.00 58.89 60.98 3hfd h TRP 103 Cb 0.42 0.05 -0.09 0.00 -1.00 0.00 0.00 29.16 28.54 3hfd h TRP 103 CO 0.02 0.28 -0.55 1.25 -3.56 0.00 0.00 178.44 175.88 3hfd h LEU 104 N -0.64 -1.88 -1.29 -4.49 5.85 -1.77 0.38 115.31 111.47 3hfd h LEU 104 Ca -0.02 0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 3hfd h LEU 104 Cb 0.50 0.78 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 3hfd h LEU 104 CO 0.03 -0.35 0.15 0.03 -0.34 0.00 0.00 178.44 177.96 3hfd h ARG 105 N -0.30 0.64 -0.49 1.25 3.08 -1.32 0.12 114.38 117.36 3hfd h ARG 105 Ca 0.09 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 3hfd h ARG 105 Cb 0.54 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3hfd h ARG 105 CO -0.65 0.55 0.03 0.00 -1.07 0.00 0.00 179.97 178.83 3hfd h ALA 106 N 1.54 0.65 -0.93 0.04 0.00 -0.13 -2.58 119.26 117.85 3hfd h ALA 106 Ca 0.15 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hfd h ALA 106 Cb 0.17 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3hfd h ALA 106 CO -0.01 0.43 0.57 -0.07 0.00 0.00 0.00 179.25 180.17 3hfd h LEU 107 N 0.70 1.11 -1.42 0.00 3.38 0.58 -3.13 115.31 116.53 3hfd h LEU 107 Ca 0.14 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3hfd h LEU 107 Cb 0.47 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3hfd h LEU 107 CO 0.02 0.84 -0.21 0.03 0.09 0.00 0.00 178.44 179.21 3hfd h ARG 108 N 1.28 0.00 -0.08 1.13 2.47 -0.56 -2.54 114.38 116.08 3hfd h ARG 108 Ca 0.34 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.06 3hfd h ARG 108 Cb -0.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 3hfd h ARG 108 CO -0.06 0.21 0.00 0.09 0.56 0.00 0.00 179.97 180.77 3hfd n ASN 109 N -3.54 1.17 -4.76 7.04 4.13 -0.99 -4.73 115.26 113.58 3hfd n ASN 109 Ca -0.01 -1.53 -0.37 0.00 1.68 0.00 0.00 54.58 54.35 3hfd n ASN 109 Cb 0.36 -0.05 -0.07 0.00 -1.54 0.00 0.00 39.78 38.49 3hfd n ASN 109 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3hfd s ASN 110 N -1.73 6.47 0.20 6.41 3.84 -0.96 -4.88 114.94 124.30 3hfd s ASN 110 Ca 0.35 0.56 -0.06 0.00 0.21 0.00 0.00 52.86 53.92 3hfd s ASN 110 Cb 0.18 -2.17 0.14 0.00 -0.55 0.00 0.00 41.25 38.84 3hfd s ASN 110 CO 0.28 0.17 1.60 0.78 -2.79 0.00 0.00 177.10 177.15 3hfd h ASN 111 N 6.18 0.84 0.02 -4.21 4.21 -1.86 -2.03 115.58 118.73 3hfd h ASN 111 Ca -0.44 -0.31 -0.16 0.00 1.21 0.00 0.00 56.30 56.60 3hfd h ASN 111 Cb 1.18 -0.23 0.01 0.00 -1.12 0.00 0.00 38.32 38.16 3hfd h ASN 111 CO 0.71 1.04 -0.62 0.74 -1.29 0.00 0.00 177.43 178.01 3hfd h THR 112 N 0.71 1.44 -0.05 2.81 2.02 -1.95 -3.20 112.91 114.69 3hfd h THR 112 Ca 0.09 -2.13 -0.03 0.00 0.77 0.00 0.00 66.41 65.12 3hfd h THR 112 Cb 0.77 2.67 -0.00 0.00 -1.74 0.00 0.00 68.15 69.85 3hfd h THR 112 CO 0.06 0.62 -0.07 0.58 0.37 0.00 0.00 175.52 177.08 3hfd h VAL 113 N -0.14 1.40 -0.97 3.16 2.07 -1.84 -3.21 116.25 116.72 3hfd h VAL 113 Ca -0.08 -1.32 0.23 0.00 0.82 0.00 0.00 66.70 66.35 3hfd h VAL 113 Cb 1.35 2.17 -0.08 0.00 -1.52 0.00 0.00 31.29 33.21 3hfd h VAL 113 CO 0.12 0.36 0.63 -1.28 0.02 0.00 0.00 177.57 177.42 3hfd h SER 114 N -0.35 0.46 -1.01 0.57 0.87 -1.45 -0.86 113.55 111.79 3hfd h SER 114 Ca 0.01 0.06 0.17 0.00 -1.23 0.00 0.00 61.79 60.80 3hfd h SER 114 Cb 0.62 -0.02 -0.10 0.00 -0.44 0.00 0.00 62.40 62.46 3hfd h SER 114 CO 0.02 0.15 0.62 -0.74 -0.53 0.00 0.00 176.83 176.34 3hfd h HIS 115 N 0.44 1.10 0.00 2.24 2.76 -1.55 -2.85 115.15 117.28 3hfd h HIS 115 Ca 0.53 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.55 3hfd h HIS 115 Cb 1.28 -0.34 -0.03 0.00 1.55 0.00 0.00 27.41 29.87 3hfd h HIS 115 CO -0.00 0.30 -1.66 1.33 -1.30 0.00 0.00 177.93 176.60 3hfd n VAL 116 N -4.72 1.09 -2.01 5.26 0.24 -0.36 -4.74 118.33 113.09 3hfd n VAL 116 Ca 0.22 -0.70 -0.42 0.00 -2.04 0.00 0.00 64.34 61.40 3hfd n VAL 116 Cb 0.51 -0.61 -0.03 0.00 -1.47 0.00 0.00 33.84 32.24 3hfd n VAL 116 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3hfd s ILE 117 N -2.91 3.47 0.59 1.34 1.01 -1.00 -2.52 121.20 121.17 3hfd s ILE 117 Ca -0.05 0.45 0.01 0.00 0.00 0.00 0.00 60.65 61.06 3hfd s ILE 117 Cb 0.09 -3.70 0.05 0.00 0.01 0.00 0.00 42.46 38.91 3hfd s ILE 117 CO 0.83 -0.49 0.82 -1.61 0.00 0.00 0.00 174.94 174.49 3hfd s GLU 118 N 5.88 2.37 0.25 2.79 0.41 -1.26 -4.90 118.70 124.24 3hfd s GLU 118 Ca 0.77 -0.83 0.01 0.00 -0.41 0.00 0.00 54.97 54.51 3hfd s GLU 118 Cb -0.20 -2.45 0.31 0.00 -1.78 0.00 0.00 34.13 30.01 3hfd s GLU 118 CO 0.32 -0.87 1.65 -0.44 -0.49 0.00 0.00 175.26 175.43 3hfd h ASP 119 N -0.06 0.53 0.61 -0.19 3.45 -1.96 -2.34 116.42 116.45 3hfd h ASP 119 Ca -0.41 -0.21 -0.02 0.00 0.43 0.00 0.00 57.03 56.82 3hfd h ASP 119 Cb 1.29 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 39.91 3hfd h ASP 119 CO 0.50 0.83 -0.08 1.12 -1.57 0.00 0.00 179.24 180.04 3hfd h HIS 120 N 0.44 0.00 0.00 4.55 2.07 -1.96 -2.69 115.15 117.55 3hfd h HIS 120 Ca 0.05 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.47 3hfd h HIS 120 Cb 0.80 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.76 3hfd h HIS 120 CO 0.03 0.08 -0.48 -0.44 -3.07 0.00 0.00 177.93 174.05 3hfd h ASP 121 N 0.00 0.00 -0.73 3.10 3.32 -1.81 -3.35 116.42 116.95 3hfd h ASP 121 Ca -0.00 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.16 3hfd h ASP 121 Cb 0.41 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.88 3hfd h ASP 121 CO 0.01 0.48 0.33 -0.33 -1.72 0.00 0.00 179.24 178.01 3hfd h GLU 122 N 0.00 0.52 0.00 3.56 5.08 -1.44 0.62 114.58 122.92 3hfd h GLU 122 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3hfd h GLU 122 Cb 1.05 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3hfd h GLU 122 CO 0.06 0.34 0.00 -0.85 -1.00 0.00 0.00 179.01 177.56 3hfd n GLU 123 N -4.92 0.00 -0.04 2.33 0.28 -1.26 -1.78 120.64 115.26 3hfd n GLU 123 Ca 0.13 0.17 -0.18 0.00 -0.16 0.00 0.00 57.16 57.11 3hfd n GLU 123 Cb 0.34 -1.51 -0.14 0.00 1.43 0.00 0.00 31.44 31.57 3hfd n GLU 123 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3hfd n ILE 124 N -1.51 1.67 0.29 3.84 5.41 0.07 -4.40 119.36 124.74 3hfd n ILE 124 Ca 0.05 -0.66 0.17 0.00 1.00 0.00 0.00 62.75 63.30 3hfd n ILE 124 Cb 0.23 -1.51 0.64 0.00 -0.71 0.00 0.00 39.64 38.29 3hfd n ILE 124 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3hfd h LEU 125 N 0.04 0.00 -2.19 1.39 3.38 -0.93 -2.85 115.31 114.15 3hfd h LEU 125 Ca -0.45 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.58 3hfd h LEU 125 Cb 2.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.75 3hfd h LEU 125 CO 0.04 0.00 0.20 -0.37 0.09 0.00 0.00 178.44 178.40 3hfd h VAL 126 N 0.00 0.55 -0.05 1.22 -1.51 -1.56 -2.25 116.25 112.65 3hfd h VAL 126 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3hfd h VAL 126 Cb 0.52 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 3hfd h VAL 126 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.12 3hfd n TYR 127 N -3.93 0.05 -2.23 5.19 4.01 -1.08 -2.22 117.16 116.96 3hfd n TYR 127 Ca 0.02 -0.03 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 3hfd n TYR 127 Cb 0.33 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.34 3hfd n TYR 127 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3hfd s LEU 128 N -1.87 3.83 0.20 7.72 2.96 -0.85 0.40 118.68 131.07 3hfd s LEU 128 Ca 0.37 1.38 0.17 0.00 -0.22 0.00 0.00 54.13 55.84 3hfd s LEU 128 Cb 0.20 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.36 3hfd s LEU 128 CO 0.32 -1.25 1.16 0.78 -1.32 0.00 0.00 176.35 176.04 3hfd h ASN 129 N 10.40 0.00 -4.73 3.68 4.21 -1.45 -3.30 115.58 124.39 3hfd h ASN 129 Ca -0.31 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.21 3hfd h ASN 129 Cb 1.13 0.00 -0.19 0.00 -1.12 0.00 0.00 38.32 38.15 3hfd h ASN 129 CO 1.02 0.41 0.32 -0.62 -1.29 0.00 0.00 177.43 177.27 3hfd s ASP 130 N -6.02 -0.54 -0.06 5.81 -1.08 -1.00 -4.68 116.67 109.11 3hfd s ASP 130 Ca 0.01 0.45 0.02 0.00 -0.52 0.00 0.00 52.55 52.51 3hfd s ASP 130 Cb 0.08 0.47 0.02 0.00 -1.46 0.00 0.00 42.92 42.03 3hfd s ASP 130 CO 0.77 -0.60 -0.09 -0.63 0.52 0.00 0.00 175.17 175.14 3hfd s ILE 131 N -1.78 0.91 0.11 4.11 1.01 -1.26 -2.18 121.20 122.12 3hfd s ILE 131 Ca -0.05 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.28 3hfd s ILE 131 Cb -0.00 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 3hfd s ILE 131 CO 0.02 0.30 -0.09 -0.13 0.00 0.00 0.00 174.94 175.04 3hfd s ARG 132 N 0.72 0.89 -0.04 2.79 0.52 -0.32 -4.96 118.95 118.56 3hfd s ARG 132 Ca -0.13 -1.27 0.03 0.00 -0.52 0.00 0.00 55.73 53.84 3hfd s ARG 132 Cb -0.15 -0.47 0.00 0.00 0.52 0.00 0.00 34.95 34.85 3hfd s ARG 132 CO 0.02 0.06 -0.13 0.00 0.02 0.00 0.00 175.30 175.27 3hfd s ASP 134 N 0.14 2.34 0.32 0.00 1.11 0.19 -4.99 116.67 115.79 3hfd s ASP 134 Ca -0.04 -1.12 0.04 0.00 0.18 0.00 0.00 52.55 51.60 3hfd s ASP 134 Cb -0.10 -0.09 -0.02 0.00 1.07 0.00 0.00 42.92 43.77 3hfd s ASP 134 CO 0.01 -0.33 0.48 -0.31 1.18 0.00 0.00 175.17 176.20 3hfd s TYR 135 N -3.15 3.35 -0.12 4.23 2.02 -1.26 -1.38 117.35 121.04 3hfd s TYR 135 Ca 0.25 0.07 -0.07 0.00 -0.37 0.00 0.00 57.07 56.95 3hfd s TYR 135 Cb 0.03 -1.86 -0.04 0.00 -0.40 0.00 0.00 41.96 39.69 3hfd s TYR 135 CO 0.08 0.14 0.14 0.42 -1.57 0.00 0.00 175.55 174.76 3hfd s ILE 136 N -2.19 5.50 -1.56 2.71 1.09 -1.26 -4.81 121.20 120.67 3hfd s ILE 136 Ca 0.40 0.21 -0.11 0.00 -1.10 0.00 0.00 60.65 60.04 3hfd s ILE 136 Cb -0.09 -3.40 -0.04 0.00 -1.06 0.00 0.00 42.46 37.87 3hfd s ILE 136 CO 0.33 0.61 2.69 2.29 -0.10 0.00 0.00 174.94 180.76 3hfd n LYS 137 N 2.04 3.44 0.00 2.79 0.00 -1.26 -4.95 118.16 120.22 3hfd n LYS 137 Ca -0.20 -2.38 0.00 0.00 -0.00 0.00 0.00 58.31 55.73 3hfd n LYS 137 Cb 0.55 -2.96 0.00 0.00 -0.00 0.00 0.00 35.03 32.61 3hfd n LYS 137 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3hfd n LYS 143 N 4.40 0.00 0.00 -1.58 3.00 -1.26 -5.27 118.16 117.45 3hfd n LYS 143 Ca 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 59.00 3hfd n LYS 143 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.32 3hfd n LYS 143 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3hfd n GLU 144 N 0.00 3.94 -3.73 1.64 -0.58 -0.78 -4.85 120.64 116.28 3hfd n GLU 144 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3hfd n GLU 144 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3hfd n GLU 144 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hfd n GLY 145 N 5.00 -1.01 3.46 0.62 0.00 -1.26 -0.58 105.19 111.42 3hfd n GLY 145 Ca 0.00 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.81 3hfd n GLY 145 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hfd s PHE 146 N -3.00 -0.57 -0.19 1.61 -0.12 -0.46 -4.04 117.98 111.21 3hfd s PHE 146 Ca 0.00 1.20 -0.08 0.00 -0.05 0.00 0.00 56.93 58.00 3hfd s PHE 146 Cb 0.00 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.61 3hfd s PHE 146 CO 0.00 -0.43 0.08 0.42 -0.05 0.00 0.00 175.22 175.24 3hfd s ILE 147 N -0.48 4.95 -0.25 -4.49 1.01 -0.48 -1.09 121.20 120.37 3hfd s ILE 147 Ca -0.06 0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.52 3hfd s ILE 147 Cb -0.03 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 3hfd s ILE 147 CO 0.05 0.45 0.14 -0.76 0.00 0.00 0.00 174.94 174.82 3hfd s LEU 148 N 0.37 3.91 -0.23 2.97 1.43 -0.43 -0.64 118.68 126.07 3hfd s LEU 148 Ca 0.04 0.00 -0.06 0.00 -1.03 0.00 0.00 54.13 53.08 3hfd s LEU 148 Cb -0.12 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.02 3hfd s LEU 148 CO -0.00 0.02 0.03 -0.44 0.23 0.00 0.00 176.35 176.18 3hfd s SER 149 N 1.34 4.93 -0.43 2.29 0.01 0.12 -1.20 113.70 120.75 3hfd s SER 149 Ca 0.07 -0.22 -0.07 0.00 1.31 0.00 0.00 55.95 57.04 3hfd s SER 149 Cb -0.15 -1.86 0.10 0.00 0.21 0.00 0.00 66.02 64.32 3hfd s SER 149 CO 0.06 0.01 0.26 -0.36 0.41 0.00 0.00 173.24 173.62 3hfd s PHE 150 N 1.34 3.44 -0.26 2.43 0.08 0.18 -1.18 117.98 124.01 3hfd s PHE 150 Ca 0.05 -1.94 -0.18 0.00 0.12 0.00 0.00 56.93 54.98 3hfd s PHE 150 Cb -0.15 -3.17 -0.02 0.00 -0.57 0.00 0.00 43.02 39.10 3hfd s PHE 150 CO 0.02 -0.93 0.53 -1.01 -0.10 0.00 0.00 175.22 173.73 3hfd s HIS 151 N 1.31 3.26 0.17 0.36 3.76 -0.93 -0.86 115.29 122.36 3hfd s HIS 151 Ca 0.05 0.65 0.08 0.00 -0.15 0.00 0.00 55.06 55.68 3hfd s HIS 151 Cb -0.24 -2.75 -0.04 0.00 1.11 0.00 0.00 32.58 30.66 3hfd s HIS 151 CO -0.01 -0.30 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.48 3hfd s PHE 152 N 2.35 2.77 0.59 1.40 0.08 -0.22 -1.15 117.98 123.79 3hfd s PHE 152 Ca 0.22 -0.16 -0.13 0.00 0.12 0.00 0.00 56.93 56.98 3hfd s PHE 152 Cb -0.16 -1.36 -0.05 0.00 -0.57 0.00 0.00 43.02 40.88 3hfd s PHE 152 CO 0.09 0.51 1.02 0.00 -0.10 0.00 0.00 175.22 176.74 3hfd s ALA 153 N -1.67 3.08 0.21 5.36 0.00 0.16 -4.74 121.76 124.16 3hfd s ALA 153 Ca 0.26 0.01 -0.32 0.00 0.00 0.00 0.00 51.96 51.91 3hfd s ALA 153 Cb -0.09 -3.10 -0.13 0.00 0.00 0.00 0.00 23.12 19.80 3hfd s ALA 153 CO 0.17 -0.55 1.59 -2.30 0.00 0.00 0.00 175.76 174.67 3hfd n PRO 154 N -2.36 2.38 -3.91 0.00 -0.02 -1.26 -4.92 135.00 124.92 3hfd n PRO 154 Ca 0.06 0.86 -0.09 0.00 -2.02 0.00 0.00 63.50 62.31 3hfd n PRO 154 Cb 0.54 -2.63 -0.08 0.00 -0.02 0.00 0.00 33.50 31.31 3hfd n PRO 154 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hfd s ASN 155 N 0.80 0.18 0.00 2.55 2.20 -1.26 -4.70 114.94 114.71 3hfd s ASN 155 Ca 0.74 -0.64 0.23 0.00 -0.94 0.00 0.00 52.86 52.25 3hfd s ASN 155 Cb -0.60 0.28 1.34 0.00 -2.00 0.00 0.00 41.25 40.27 3hfd s ASN 155 CO 0.40 -0.63 1.73 -0.81 -2.94 0.00 0.00 177.10 174.85 3hfd n PRO 156 N 0.27 0.67 -0.08 3.55 -0.04 -1.26 -3.62 135.00 134.49 3hfd n PRO 156 Ca -0.16 0.01 -0.23 0.00 -0.04 0.00 0.00 63.50 63.08 3hfd n PRO 156 Cb 0.61 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.45 3hfd n PRO 156 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hfd n PHE 157 N -1.03 0.87 -3.79 0.54 3.72 -1.26 -4.71 117.46 111.80 3hfd n PHE 157 Ca 0.16 0.29 -0.10 0.00 -0.05 0.00 0.00 57.45 57.76 3hfd n PHE 157 Cb 0.09 -1.10 -0.05 0.00 -0.94 0.00 0.00 39.48 37.48 3hfd n PHE 157 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 3hfd s PHE 158 N -2.46 0.03 -0.35 1.38 -0.12 -1.24 -1.07 117.98 114.15 3hfd s PHE 158 Ca -0.29 -0.38 0.23 0.00 -0.05 0.00 0.00 56.93 56.44 3hfd s PHE 158 Cb 0.08 0.21 0.16 0.00 -0.63 0.00 0.00 43.02 42.84 3hfd s PHE 158 CO 0.63 -0.80 1.27 0.66 -0.05 0.00 0.00 175.22 176.94 3hfd h SER 159 N 2.36 0.00 -2.23 1.98 4.64 -1.81 -3.37 113.55 115.12 3hfd h SER 159 Ca -0.31 -0.02 -0.59 0.00 -0.47 0.00 0.00 61.79 60.40 3hfd h SER 159 Cb 1.25 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 63.38 3hfd h SER 159 CO 0.43 0.01 0.89 0.59 -0.87 0.00 0.00 176.83 177.88 3hfd n ASN 160 N -2.74 3.23 0.09 4.97 4.13 -1.26 -4.85 115.26 118.82 3hfd n ASN 160 Ca 0.02 1.05 0.01 0.00 1.68 0.00 0.00 54.58 57.34 3hfd n ASN 160 Cb 0.53 -1.42 -0.03 0.00 -1.54 0.00 0.00 39.78 37.32 3hfd n ASN 160 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 3hfd h SER 161 N 6.82 0.00 -3.88 6.41 4.64 -1.90 -3.45 113.55 122.20 3hfd h SER 161 Ca -0.46 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.59 3hfd h SER 161 Cb 1.26 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.07 3hfd h SER 161 CO 0.91 0.53 -0.74 -0.69 -0.87 0.00 0.00 176.83 175.97 3hfd s VAL 162 N -2.95 0.22 -0.13 0.95 1.01 -1.26 -1.05 120.40 117.18 3hfd s VAL 162 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.85 3hfd s VAL 162 Cb 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.27 3hfd s VAL 162 CO 0.78 0.03 -0.21 -0.76 0.00 0.00 0.00 175.10 174.95 3hfd s LEU 163 N -0.14 2.21 0.19 3.92 1.43 -0.04 -4.97 118.68 121.28 3hfd s LEU 163 Ca 0.00 -0.55 0.09 0.00 -1.03 0.00 0.00 54.13 52.65 3hfd s LEU 163 Cb -0.02 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 3hfd s LEU 163 CO -0.00 0.11 -0.13 0.42 0.23 0.00 0.00 176.35 176.98 3hfd s THR 164 N 0.64 2.99 -0.07 5.49 -4.23 -1.26 0.51 115.64 119.71 3hfd s THR 164 Ca -0.11 -1.76 -0.01 0.00 -1.18 0.00 0.00 61.69 58.64 3hfd s THR 164 Cb -0.16 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.23 3hfd s THR 164 CO 0.02 -0.12 0.00 -0.75 -0.54 0.00 0.00 174.62 173.24 3hfd s LYS 165 N -2.81 0.56 -0.24 3.99 2.47 -0.34 -1.77 119.74 121.60 3hfd s LYS 165 Ca 0.24 0.12 -0.05 0.00 -1.56 0.00 0.00 55.97 54.71 3hfd s LYS 165 Cb -0.08 -0.92 -0.01 0.00 -1.46 0.00 0.00 37.83 35.35 3hfd s LYS 165 CO 0.14 -0.29 0.00 0.99 0.16 0.00 0.00 175.35 176.36 3hfd s THR 166 N 1.91 3.74 -0.32 3.43 2.01 0.42 -1.31 115.64 125.51 3hfd s THR 166 Ca 0.04 -0.40 -0.10 0.00 0.31 0.00 0.00 61.69 61.55 3hfd s THR 166 Cb -0.12 -2.74 -0.00 0.00 0.01 0.00 0.00 72.50 69.65 3hfd s THR 166 CO -0.05 0.37 0.16 -0.31 -0.69 0.00 0.00 174.62 174.10 3hfd s TYR 167 N 1.53 3.19 0.09 4.92 2.02 -0.25 -0.69 117.35 128.16 3hfd s TYR 167 Ca 0.06 -0.66 -0.12 0.00 -0.37 0.00 0.00 57.07 55.98 3hfd s TYR 167 Cb -0.15 -2.37 -0.06 0.00 -0.40 0.00 0.00 41.96 38.99 3hfd s TYR 167 CO -0.01 -0.49 0.45 -1.01 -1.57 0.00 0.00 175.55 172.92 3hfd s HIS 168 N 1.60 3.61 0.19 2.71 3.76 -0.03 -1.36 115.29 125.77 3hfd s HIS 168 Ca 0.04 0.91 -0.13 0.00 -0.15 0.00 0.00 55.06 55.73 3hfd s HIS 168 Cb -0.17 -2.25 0.01 0.00 1.11 0.00 0.00 32.58 31.27 3hfd s HIS 168 CO 0.06 0.50 0.41 -1.64 -0.85 0.00 0.00 174.74 173.23 3hfd s MET 169 N -1.83 1.31 0.00 1.40 -1.94 0.26 -0.98 119.30 117.52 3hfd s MET 169 Ca 0.34 -1.06 0.00 0.00 -1.71 0.00 0.00 55.69 53.25 3hfd s MET 169 Cb -0.15 0.45 0.00 0.00 2.01 0.00 0.00 34.83 37.14 3hfd s MET 169 CO 0.18 -0.52 0.81 0.36 -0.01 0.00 0.00 175.02 175.84 3hfd n LYS 170 N -0.29 0.00 0.00 2.03 2.85 -1.26 -1.86 118.16 119.62 3hfd n LYS 170 Ca -0.07 -0.71 0.00 0.00 -1.05 0.00 0.00 58.31 56.48 3hfd n LYS 170 Cb 0.63 -0.38 0.00 0.00 -0.65 0.00 0.00 35.03 34.62 3hfd n LYS 170 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3hfd n PRO 178 N 0.00 0.00 -3.49 -1.58 -0.02 -1.26 -4.87 135.00 123.78 3hfd n PRO 178 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.10 3hfd n PRO 178 Cb 0.63 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 34.01 3hfd n PRO 178 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hfd s VAL 179 N 0.00 5.24 -0.05 -1.45 1.01 -1.26 -5.06 120.40 118.83 3hfd s VAL 179 Ca 0.00 0.39 -0.23 0.00 0.00 0.00 0.00 61.98 62.14 3hfd s VAL 179 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3hfd s VAL 179 CO 0.00 0.21 0.68 -0.22 0.00 0.00 0.00 175.10 175.77 3hfd s LEU 180 N 1.87 4.34 -0.17 3.92 2.96 -1.26 -4.48 118.68 125.85 3hfd s LEU 180 Ca 0.11 1.19 -0.14 0.00 -0.22 0.00 0.00 54.13 55.07 3hfd s LEU 180 Cb -0.16 -3.05 -0.06 0.00 0.50 0.00 0.00 46.19 43.42 3hfd s LEU 180 CO 0.10 -0.06 -0.22 0.18 -1.32 0.00 0.00 176.35 175.03 3hfd n LEU 181 N 3.52 1.87 -3.60 -0.68 4.77 -0.15 -4.96 117.00 117.77 3hfd n LEU 181 Ca -0.03 0.48 -0.06 0.00 -0.03 0.00 0.00 56.01 56.38 3hfd n LEU 181 Cb 0.51 -0.83 -0.02 0.00 -2.33 0.00 0.00 43.42 40.76 3hfd n LEU 181 CO 0.46 -0.25 0.73 -1.38 -1.33 0.00 0.00 177.39 175.63 3hfd s HIS 182 N -2.52 -0.24 0.18 -1.77 -3.43 -1.22 -4.41 115.29 101.87 3hfd s HIS 182 Ca -0.23 0.05 0.11 0.00 -0.80 0.00 0.00 55.06 54.18 3hfd s HIS 182 Cb 0.04 0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 31.72 3hfd s HIS 182 CO 0.35 -0.62 -0.23 0.95 -2.00 0.00 0.00 174.74 173.19 3hfd s THR 183 N -3.11 2.20 0.00 -5.38 -4.23 -1.23 -0.85 115.64 103.04 3hfd s THR 183 Ca 0.08 -1.95 0.05 0.00 -1.18 0.00 0.00 61.69 58.69 3hfd s THR 183 Cb -0.01 -2.02 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 3hfd s THR 183 CO -0.04 -0.14 -0.16 -1.61 -0.54 0.00 0.00 174.62 172.13 3hfd s GLU 184 N -2.59 1.24 0.06 3.99 2.02 0.14 -3.31 118.70 120.24 3hfd s GLU 184 Ca 0.18 -0.65 0.00 0.00 0.02 0.00 0.00 54.97 54.52 3hfd s GLU 184 Cb -0.08 -1.22 -0.04 0.00 0.10 0.00 0.00 34.13 32.89 3hfd s GLU 184 CO 0.08 0.33 -0.05 0.00 0.02 0.00 0.00 175.26 175.65 3hfd s ALA 185 N -0.51 0.60 0.29 5.21 0.00 -1.26 0.16 121.76 126.25 3hfd s ALA 185 Ca 0.05 -1.12 -0.28 0.00 0.00 0.00 0.00 51.96 50.61 3hfd s ALA 185 Cb -0.07 0.20 -0.09 0.00 0.00 0.00 0.00 23.12 23.16 3hfd s ALA 185 CO 0.00 -0.26 1.01 0.95 0.00 0.00 0.00 175.76 177.46 3hfd s THR 186 N -3.23 3.85 -0.50 0.00 -4.23 -0.73 -4.83 115.64 105.97 3hfd s THR 186 Ca 0.03 1.72 -0.28 0.00 -1.18 0.00 0.00 61.69 61.99 3hfd s THR 186 Cb 0.03 -4.04 0.00 0.00 1.34 0.00 0.00 72.50 69.83 3hfd s THR 186 CO -0.06 0.31 1.52 -0.69 -0.54 0.00 0.00 174.62 175.15 3hfd s VAL 187 N -1.33 3.72 0.06 2.29 1.01 -1.26 -4.81 120.40 120.08 3hfd s VAL 187 Ca 0.47 0.64 -0.30 0.00 0.00 0.00 0.00 61.98 62.78 3hfd s VAL 187 Cb -0.26 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.81 3hfd s VAL 187 CO 0.33 -0.95 1.79 -0.63 0.00 0.00 0.00 175.10 175.64 3hfd s ILE 188 N 6.40 2.94 -1.25 2.22 1.01 -1.26 -4.88 121.20 126.38 3hfd s ILE 188 Ca 0.60 0.26 -0.10 0.00 0.00 0.00 0.00 60.65 61.40 3hfd s ILE 188 Cb -0.13 -3.17 0.18 0.00 0.01 0.00 0.00 42.46 39.35 3hfd s ILE 188 CO 0.27 -0.01 1.71 0.47 0.00 0.00 0.00 174.94 177.38 3hfd n ASP 189 N 6.29 5.21 -4.70 3.58 8.00 -1.26 -5.00 116.55 128.68 3hfd n ASP 189 Ca 0.18 -3.08 -0.40 0.00 0.71 0.00 0.00 54.79 52.20 3hfd n ASP 189 Cb 0.40 -1.49 0.03 0.00 -0.02 0.00 0.00 41.12 40.04 3hfd n ASP 189 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3hfd n TRP 190 N 4.27 1.93 -2.39 1.24 7.02 -1.26 -2.91 117.44 125.33 3hfd n TRP 190 Ca 0.38 0.47 -0.27 0.00 -1.02 0.00 0.00 57.50 57.06 3hfd n TRP 190 Cb 0.38 -2.33 0.03 0.00 -2.42 0.00 0.00 31.31 26.97 3hfd n TRP 190 CO 0.00 0.00 0.00 0.71 -2.02 0.00 0.00 177.69 176.38 3hfd s TYR 191 N -1.29 3.29 0.19 -5.99 2.02 -0.24 -4.95 117.35 110.39 3hfd s TYR 191 Ca 0.67 0.68 -0.32 0.00 -0.37 0.00 0.00 57.07 57.74 3hfd s TYR 191 Cb -0.46 -2.71 -0.12 0.00 -0.40 0.00 0.00 41.96 38.27 3hfd s TYR 191 CO 0.53 -0.78 1.74 0.34 -1.57 0.00 0.00 175.55 175.81 3hfd s ASP 192 N -4.29 6.39 0.00 2.29 2.15 -1.26 -0.97 116.67 120.98 3hfd s ASP 192 Ca 0.53 2.84 0.00 0.00 0.43 0.00 0.00 52.55 56.36 3hfd s ASP 192 Cb -0.11 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 3hfd s ASP 192 CO 0.45 -0.97 0.00 0.59 -0.17 0.00 0.00 175.17 175.07 3hfd n ASN 193 N 4.27 -4.55 -0.24 -0.34 3.02 -1.26 -4.88 115.26 111.28 3hfd n ASN 193 Ca 0.16 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.76 3hfd n ASN 193 Cb 0.36 -2.22 0.10 0.00 -0.61 0.00 0.00 39.78 37.41 3hfd n ASN 193 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3hfd n LYS 194 N -0.72 2.44 -2.69 3.52 4.01 -0.15 -4.91 118.16 119.66 3hfd n LYS 194 Ca 0.00 -2.10 -0.42 0.00 -0.51 0.00 0.00 58.31 55.28 3hfd n LYS 194 Cb 0.28 -1.31 -0.03 0.00 -0.51 0.00 0.00 35.03 33.46 3hfd n LYS 194 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 3hfd s ASN 195 N -1.71 6.22 0.26 4.39 3.84 -1.25 -4.65 114.94 122.04 3hfd s ASN 195 Ca 0.19 -0.55 0.01 0.00 0.21 0.00 0.00 52.86 52.73 3hfd s ASN 195 Cb 0.15 -2.50 0.33 0.00 -0.55 0.00 0.00 41.25 38.68 3hfd s ASN 195 CO 0.05 -1.60 1.66 0.16 -2.79 0.00 0.00 177.10 174.59 3hfd h ILE 196 N 6.03 1.28 -1.38 -5.21 3.07 -1.91 -2.98 117.51 116.41 3hfd h ILE 196 Ca -0.28 -1.41 0.40 0.00 1.55 0.00 0.00 64.86 65.12 3hfd h ILE 196 Cb 1.06 1.45 -0.07 0.00 -0.27 0.00 0.00 36.82 39.00 3hfd h ILE 196 CO 1.21 0.45 0.98 -0.07 -1.05 0.00 0.00 178.15 179.67 3hfd h LEU 197 N 0.43 0.06 -9.46 0.16 3.38 -1.89 -3.40 115.31 104.60 3hfd h LEU 197 Ca 0.05 0.02 -0.64 0.00 0.09 0.00 0.00 57.88 57.40 3hfd h LEU 197 Cb 0.78 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.42 3hfd h LEU 197 CO 0.06 -0.01 -0.67 -0.54 0.09 0.00 0.00 178.44 177.37 3hfd s LYS 198 N -5.01 2.46 0.00 1.13 1.02 -1.12 -1.29 119.74 116.93 3hfd s LYS 198 Ca -0.06 -0.93 0.00 0.00 0.02 0.00 0.00 55.97 55.00 3hfd s LYS 198 Cb 0.25 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 35.09 3hfd s LYS 198 CO 0.83 0.51 0.09 0.36 -0.92 0.00 0.00 175.35 176.23 3hfd n LYS 199 N 0.39 0.00 -3.99 1.68 2.85 -0.45 -4.84 118.16 113.81 3hfd n LYS 199 Ca -0.11 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 3hfd n LYS 199 Cb 0.53 -0.59 0.00 0.00 -0.65 0.00 0.00 35.03 34.31 3hfd n LYS 199 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 3hfd n ASN 200 N -0.16 0.00 0.00 -5.58 2.85 -1.26 -4.93 115.26 106.18 3hfd n ASN 200 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3hfd n ASN 200 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 3hfd n ASN 200 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 3hfd n VAL 201 N 8.88 0.00 -0.06 3.44 3.14 -1.26 -4.35 118.33 128.12 3hfd n VAL 201 Ca 0.00 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.28 3hfd n VAL 201 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.73 3hfd n VAL 201 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 3hfd n VAL 202 N 0.00 0.67 -2.36 1.55 0.31 -1.26 -4.42 118.33 112.82 3hfd n VAL 202 Ca 0.00 -0.22 -0.38 0.00 -0.01 0.00 0.00 64.34 63.73 3hfd n VAL 202 Cb 0.00 -1.25 -0.02 0.00 -0.91 0.00 0.00 33.84 31.66 3hfd n VAL 202 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3hfd n LYS 203 N -3.16 2.66 -3.03 5.55 4.01 -1.26 -4.52 118.16 118.41 3hfd n LYS 203 Ca -0.22 -2.98 -0.01 0.00 -0.51 0.00 0.00 58.31 54.59 3hfd n LYS 203 Cb 0.70 -3.55 -0.01 0.00 -0.51 0.00 0.00 35.03 31.66 3hfd n LYS 203 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3hfd n VAL 216 N 6.77 -3.31 -2.06 -0.18 0.31 -1.26 -4.86 118.33 113.73 3hfd n VAL 216 Ca 0.48 0.57 -0.33 0.00 -0.01 0.00 0.00 64.34 65.05 3hfd n VAL 216 Cb 0.46 -3.36 0.01 0.00 -0.91 0.00 0.00 33.84 30.03 3hfd n VAL 216 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3hfd s GLN 217 N -0.42 3.36 -0.09 5.55 -0.21 -1.26 -5.07 119.66 121.51 3hfd s GLN 217 Ca -0.04 1.17 0.01 0.00 0.02 0.00 0.00 55.36 56.53 3hfd s GLN 217 Cb 0.00 -2.04 0.02 0.00 1.00 0.00 0.00 33.01 31.99 3hfd s GLN 217 CO 0.14 -0.78 -0.12 -0.65 -2.12 0.00 0.00 175.29 171.76 3hfd s GLN 218 N -4.12 1.81 0.01 2.91 -0.21 -1.26 -5.05 119.66 113.75 3hfd s GLN 218 Ca 0.63 -0.42 0.08 0.00 0.02 0.00 0.00 55.36 55.68 3hfd s GLN 218 Cb -0.15 -1.59 -0.02 0.00 1.00 0.00 0.00 33.01 32.25 3hfd s GLN 218 CO 0.37 -0.07 -0.26 -0.08 -2.12 0.00 0.00 175.29 173.14 3hfd s THR 219 N 1.00 2.13 -0.30 -0.19 -1.32 -1.26 -4.53 115.64 111.16 3hfd s THR 219 Ca -0.08 -1.22 -0.06 0.00 -1.21 0.00 0.00 61.69 59.12 3hfd s THR 219 Cb -0.15 -1.78 0.16 0.00 -1.51 0.00 0.00 72.50 69.22 3hfd s THR 219 CO -0.01 0.49 0.64 0.68 -2.21 0.00 0.00 174.62 174.21 3hfd s VAL 220 N -0.70 -0.99 0.70 5.08 -7.23 -1.26 -4.96 120.40 111.04 3hfd s VAL 220 Ca 0.11 0.00 -0.16 0.00 -1.81 0.00 0.00 61.98 60.12 3hfd s VAL 220 Cb -0.10 -1.00 -0.01 0.00 0.56 0.00 0.00 36.38 35.83 3hfd s VAL 220 CO 0.00 0.00 0.90 0.59 -0.31 0.00 0.00 175.10 176.29 3hfd n ASN 221 N 5.43 0.27 -3.71 4.85 3.02 -1.26 -1.34 115.26 122.52 3hfd n ASN 221 Ca -0.07 0.68 -0.10 0.00 -0.03 0.00 0.00 54.58 55.06 3hfd n ASN 221 Cb 0.50 -1.37 -0.06 0.00 -0.61 0.00 0.00 39.78 38.24 3hfd n ASN 221 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hfd s ARG 222 N -3.15 0.98 0.53 3.52 1.04 -0.41 -4.76 118.95 116.70 3hfd s ARG 222 Ca 0.73 -0.79 -0.21 0.00 -1.04 0.00 0.00 55.73 54.42 3hfd s ARG 222 Cb -0.36 0.42 -0.06 0.00 -2.04 0.00 0.00 34.95 32.92 3hfd s ARG 222 CO 0.51 -0.36 1.18 -0.51 -0.04 0.00 0.00 175.30 176.08 3hfd s ASP 223 N -2.81 5.67 -0.17 -2.89 1.01 -1.26 -4.63 116.67 111.59 3hfd s ASP 223 Ca 0.03 2.33 -0.28 0.00 0.71 0.00 0.00 52.55 55.35 3hfd s ASP 223 Cb 0.03 -2.60 0.08 0.00 1.01 0.00 0.00 42.92 41.44 3hfd s ASP 223 CO -0.12 -1.27 0.74 -0.55 0.21 0.00 0.00 175.17 174.19 3hfd s SER 224 N -1.51 -0.67 0.32 0.27 0.15 -1.26 -4.90 113.70 106.10 3hfd s SER 224 Ca 0.71 1.03 0.10 0.00 0.70 0.00 0.00 55.95 58.49 3hfd s SER 224 Cb -0.29 0.95 0.96 0.00 -1.71 0.00 0.00 66.02 65.93 3hfd s SER 224 CO 0.33 -0.41 1.67 0.15 1.20 0.00 0.00 173.24 176.18 3hfd h PHE 225 N 3.92 0.77 0.00 3.44 3.57 -1.86 -2.11 116.94 124.67 3hfd h PHE 225 Ca -0.27 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.27 3hfd h PHE 225 Cb 1.15 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.71 3hfd h PHE 225 CO 0.38 -0.16 0.00 1.19 -2.23 0.00 0.00 178.31 177.49 3hfd n PHE 226 N -5.08 0.00 0.60 0.41 3.72 -1.26 -0.33 117.46 115.52 3hfd n PHE 226 Ca 0.28 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.79 3hfd n PHE 226 Cb 0.87 0.00 0.44 0.00 -0.94 0.00 0.00 39.48 39.85 3hfd n PHE 226 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3hfd n HIS 227 N -0.66 0.34 0.13 1.38 8.25 -0.79 -3.09 115.22 120.77 3hfd n HIS 227 Ca 0.07 0.12 0.18 0.00 -0.26 0.00 0.00 57.72 57.83 3hfd n HIS 227 Cb 0.03 -0.69 0.76 0.00 1.12 0.00 0.00 29.99 31.20 3hfd n HIS 227 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3hfd h PHE 228 N 0.00 0.00 -2.13 4.41 3.57 -0.88 -3.30 116.94 118.61 3hfd h PHE 228 Ca 0.00 0.00 -0.80 0.00 3.53 0.00 0.00 57.97 60.70 3hfd h PHE 228 Cb 0.41 0.00 -0.26 0.00 2.79 0.00 0.00 35.95 38.89 3hfd h PHE 228 CO 0.00 0.00 1.17 1.19 -2.23 0.00 0.00 178.31 178.44 3hfd n PHE 229 N -4.04 2.76 -4.48 0.41 3.72 -1.18 -4.90 117.46 109.74 3hfd n PHE 229 Ca 0.04 -2.57 -0.23 0.00 -0.05 0.00 0.00 57.45 54.64 3hfd n PHE 229 Cb 0.43 -1.26 -0.11 0.00 -0.94 0.00 0.00 39.48 37.60 3hfd n PHE 229 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3hfd s THR 230 N -4.05 1.54 0.11 4.37 2.01 -1.25 -4.57 115.64 113.81 3hfd s THR 230 Ca 0.41 -2.05 0.08 0.00 0.31 0.00 0.00 61.69 60.44 3hfd s THR 230 Cb 0.20 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.95 3hfd s THR 230 CO -0.14 -0.11 -0.14 -0.44 -0.69 0.00 0.00 174.62 173.10 3hfd s SER 231 N -3.52 4.12 0.34 3.53 0.01 -1.26 -4.18 113.70 112.74 3hfd s SER 231 Ca 0.34 -0.49 0.07 0.00 1.31 0.00 0.00 55.95 57.18 3hfd s SER 231 Cb 0.07 -0.67 -0.03 0.00 0.21 0.00 0.00 66.02 65.60 3hfd s SER 231 CO 0.15 0.17 0.32 -1.00 0.41 0.00 0.00 173.24 173.29 3hfd s HIS 232 N -1.20 1.71 0.00 2.43 3.76 -1.21 -4.99 115.29 115.80 3hfd s HIS 232 Ca 0.20 -1.64 0.00 0.00 -0.15 0.00 0.00 55.06 53.46 3hfd s HIS 232 Cb -0.11 -0.64 0.00 0.00 1.11 0.00 0.00 32.58 32.94 3hfd s HIS 232 CO 0.12 -0.93 0.00 1.63 -0.85 0.00 0.00 174.74 174.71 3hfd n LYS 233 N -0.64 0.00 0.00 1.40 5.02 -1.26 -3.50 118.16 119.18 3hfd n LYS 233 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3hfd n LYS 233 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.63 3hfd n LYS 233 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3hfd n VAL 234 N 0.00 0.00 -0.03 -0.18 0.31 -1.26 -4.94 118.33 112.23 3hfd n VAL 234 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 3hfd n VAL 234 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 3hfd n VAL 234 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3hfd n PRO 235 N -0.26 0.72 0.00 5.55 -0.04 -1.26 -5.10 135.00 134.60 3hfd n PRO 235 Ca 0.00 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 3hfd n PRO 235 Cb 0.00 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 3hfd n PRO 235 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3hfd n GLU 247 N -3.35 0.00 0.28 0.54 1.02 -1.26 -5.28 120.64 112.60 3hfd n GLU 247 Ca -0.33 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 56.98 3hfd n GLU 247 Cb 1.04 0.00 0.73 0.00 -0.02 0.00 0.00 31.44 33.19 3hfd n GLU 247 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hfd h VAL 248 N 0.00 0.04 0.02 2.62 2.07 -2.05 -1.83 116.25 117.13 3hfd h VAL 248 Ca 0.00 -0.49 -0.08 0.00 0.82 0.00 0.00 66.70 66.95 3hfd h VAL 248 Cb 0.00 1.47 0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3hfd h VAL 248 CO 0.00 0.01 -0.31 0.00 0.02 0.00 0.00 177.57 177.29 3hfd h ALA 249 N 1.99 0.01 -0.56 1.67 0.00 -2.04 0.43 119.26 120.76 3hfd h ALA 249 Ca -0.00 -0.51 0.11 0.00 0.00 0.00 0.00 54.91 54.51 3hfd h ALA 249 Cb 0.47 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 3hfd h ALA 249 CO 0.00 0.13 0.07 1.96 0.00 0.00 0.00 179.25 181.41 3hfd h GLN 250 N -0.53 0.18 -0.27 0.00 4.20 -1.95 0.60 115.11 117.35 3hfd h GLN 250 Ca -0.04 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3hfd h GLN 250 Cb 1.11 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 3hfd h GLN 250 CO 0.06 0.12 0.13 -0.07 -0.67 0.00 0.00 178.83 178.40 3hfd h LEU 251 N 0.19 0.35 -0.32 1.46 3.38 -1.30 -2.83 115.31 116.24 3hfd h LEU 251 Ca 0.29 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3hfd h LEU 251 Cb 0.43 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3hfd h LEU 251 CO -0.42 0.37 0.12 -0.08 0.09 0.00 0.00 178.44 178.53 3hfd h GLU 252 N 0.30 0.48 0.00 1.13 4.81 0.35 -3.23 114.58 118.42 3hfd h GLU 252 Ca 0.09 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3hfd h GLU 252 Cb 0.12 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 3hfd h GLU 252 CO -0.01 0.49 -0.15 1.98 -0.73 0.00 0.00 179.01 180.59 3hfd h MET 253 N 0.37 0.00 -0.28 1.92 4.05 0.30 0.19 114.93 121.48 3hfd h MET 253 Ca 0.11 0.00 -0.15 0.00 -0.28 0.00 0.00 59.70 59.38 3hfd h MET 253 Cb 0.19 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 3hfd h MET 253 CO -0.01 0.15 -0.44 0.82 0.23 0.00 0.00 176.91 177.67 3hfd h ILE 254 N 0.00 1.29 -0.15 1.77 2.04 -1.52 -3.15 117.51 117.79 3hfd h ILE 254 Ca -0.00 -1.62 -0.21 0.00 1.00 0.00 0.00 64.86 64.03 3hfd h ILE 254 Cb 0.35 1.54 0.01 0.00 -0.74 0.00 0.00 36.82 37.98 3hfd h ILE 254 CO 0.02 0.52 -0.74 0.40 0.00 0.00 0.00 178.15 178.35 3hfd h ILE 255 N 0.57 1.30 -0.02 -0.67 5.03 -1.03 -2.47 117.51 120.23 3hfd h ILE 255 Ca 0.04 -1.98 -0.14 0.00 -0.12 0.00 0.00 64.86 62.66 3hfd h ILE 255 Cb 0.98 1.97 -0.02 0.00 -3.03 0.00 0.00 36.82 36.72 3hfd h ILE 255 CO 0.09 0.62 -0.63 -0.33 -0.68 0.00 0.00 178.15 177.22 3hfd h GLU 256 N 0.50 0.06 0.24 2.37 5.08 -1.43 -1.89 114.58 119.50 3hfd h GLU 256 Ca -0.04 -0.04 -0.34 0.00 -1.00 0.00 0.00 59.36 57.93 3hfd h GLU 256 Cb 1.36 0.01 0.03 0.00 0.50 0.00 0.00 28.75 30.65 3hfd h GLU 256 CO 0.15 0.67 -1.54 0.78 -1.00 0.00 0.00 179.01 178.06 3hfd h GLY 257 N 1.79 0.58 0.95 -3.84 0.00 -1.61 -3.07 103.07 97.86 3hfd h GLY 257 Ca -0.01 -1.47 -0.03 0.00 0.00 0.00 0.00 47.33 45.82 3hfd h GLY 257 CO 0.09 1.29 0.14 -1.80 0.00 0.00 0.00 176.54 176.26 3hfd h ASP 258 N 0.14 0.60 0.00 0.19 1.82 -1.45 -2.96 116.42 114.76 3hfd h ASP 258 Ca -0.28 -0.19 -0.11 0.00 -0.39 0.00 0.00 57.03 56.06 3hfd h ASP 258 Cb 2.15 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 42.00 3hfd h ASP 258 CO 0.25 0.63 -0.34 0.22 -1.61 0.00 0.00 179.24 178.39 3hfd h TYR 259 N 0.53 0.55 -0.74 0.28 3.20 -1.47 -2.54 116.97 116.78 3hfd h TYR 259 Ca 0.14 -0.14 0.03 0.00 3.14 0.00 0.00 58.73 61.90 3hfd h TYR 259 Cb 0.24 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 3hfd h TYR 259 CO 0.01 0.76 0.49 1.49 -1.64 0.00 0.00 178.16 179.27 3hfd h GLU 260 N 0.40 0.88 0.00 1.82 4.81 -1.45 -1.47 114.58 119.57 3hfd h GLU 260 Ca 0.05 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3hfd h GLU 260 Cb 0.79 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.98 3hfd h GLU 260 CO 0.06 0.58 -0.00 0.28 -0.73 0.00 0.00 179.01 179.20 3hfd h VAL 261 N 0.90 1.41 -0.35 0.32 2.07 -1.33 -2.56 116.25 116.73 3hfd h VAL 261 Ca 0.29 -1.23 0.06 0.00 0.82 0.00 0.00 66.70 66.64 3hfd h VAL 261 Cb 0.05 2.25 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 3hfd h VAL 261 CO -0.08 0.32 0.24 0.00 0.02 0.00 0.00 177.57 178.06 3hfd h ALA 262 N 0.47 2.05 0.00 1.67 0.00 -1.23 -1.59 119.26 120.63 3hfd h ALA 262 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hfd h ALA 262 Cb 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hfd h ALA 262 CO 0.00 -0.12 -0.07 1.25 0.00 0.00 0.00 179.25 180.32 3hfd h LEU 263 N 0.22 0.05 -0.54 0.00 5.85 -1.29 -0.46 115.31 119.14 3hfd h LEU 263 Ca 0.15 -0.85 0.11 0.00 0.84 0.00 0.00 57.88 58.13 3hfd h LEU 263 Cb 0.33 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.25 3hfd h LEU 263 CO -0.03 0.89 -0.14 0.74 -0.34 0.00 0.00 178.44 179.57 3hfd h THR 264 N -0.79 0.45 0.92 1.05 2.02 -1.23 0.21 112.91 115.54 3hfd h THR 264 Ca -0.01 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 3hfd h THR 264 Cb 0.91 0.45 0.01 0.00 -1.74 0.00 0.00 68.15 67.78 3hfd h THR 264 CO 0.01 0.00 -0.44 0.40 0.37 0.00 0.00 175.52 175.86 3hfd h ILE 265 N -0.01 0.00 -0.94 3.11 2.04 -1.31 0.23 117.51 120.64 3hfd h ILE 265 Ca 0.26 -0.09 0.19 0.00 1.00 0.00 0.00 64.86 66.21 3hfd h ILE 265 Cb 0.40 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.38 3hfd h ILE 265 CO -0.56 0.00 0.52 0.50 0.00 0.00 0.00 178.15 178.61 3hfd h LYS 266 N -1.33 0.61 0.00 2.37 3.64 -0.67 -1.39 116.57 119.80 3hfd h LYS 266 Ca -0.13 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 3hfd h LYS 266 Cb 0.95 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 3hfd h LYS 266 CO 0.21 0.41 -0.58 0.39 -2.27 0.00 0.00 179.45 177.60 3hfd n GLU 267 N -4.87 3.44 0.04 1.90 1.02 0.70 -4.58 120.64 118.29 3hfd n GLU 267 Ca 0.22 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 3hfd n GLU 267 Cb 0.57 -0.97 0.00 0.00 -0.02 0.00 0.00 31.44 31.02 3hfd n GLU 267 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hfd n ARG 268 N -1.31 0.00 0.47 3.49 1.74 0.62 -4.62 116.66 117.05 3hfd n ARG 268 Ca 0.01 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.91 3hfd n ARG 268 Cb 0.16 -0.40 -0.09 0.00 -1.02 0.00 0.00 32.46 31.11 3hfd n ARG 268 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3hfd h ILE 269 N 0.00 0.00 -0.32 0.55 1.08 -0.78 -0.99 117.51 117.04 3hfd h ILE 269 Ca 0.00 -0.05 0.07 0.00 -0.39 0.00 0.00 64.86 64.49 3hfd h ILE 269 Cb 0.39 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.07 3hfd h ILE 269 CO 0.00 0.00 -0.18 0.40 -0.69 0.00 0.00 178.15 177.68 3hfd h ILE 270 N -1.26 0.47 -0.60 -0.67 2.04 -1.50 0.29 117.51 116.28 3hfd h ILE 270 Ca -0.12 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 3hfd h ILE 270 Cb 0.92 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 3hfd h ILE 270 CO 0.20 0.00 0.09 -0.65 0.00 0.00 0.00 178.15 177.79 3hfd h PRO 271 N -0.14 1.00 -0.20 2.37 0.11 -1.79 -3.32 132.00 130.03 3hfd h PRO 271 Ca 0.17 -0.28 -0.12 0.00 0.11 0.00 0.00 66.00 65.88 3hfd h PRO 271 Cb 0.40 -0.11 -0.08 0.00 0.11 0.00 0.00 31.00 31.31 3hfd h PRO 271 CO -0.41 0.95 -0.36 0.66 -0.21 0.00 0.00 178.00 178.63 3hfd n TYR 272 N -4.28 0.67 -0.06 0.65 4.01 -0.38 -4.88 117.16 112.88 3hfd n TYR 272 Ca 0.03 -1.62 -0.10 0.00 -0.16 0.00 0.00 57.90 56.04 3hfd n TYR 272 Cb 0.29 -0.36 -0.04 0.00 -0.31 0.00 0.00 39.34 38.91 3hfd n TYR 272 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hfd h ALA 273 N 1.11 -0.42 -0.31 -0.72 0.00 -0.54 0.08 119.26 118.46 3hfd h ALA 273 Ca 0.12 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3hfd h ALA 273 Cb 1.28 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 3hfd h ALA 273 CO 0.23 -0.84 0.17 -0.24 0.00 0.00 0.00 179.25 178.56 3hfd h VAL 274 N -0.38 1.10 -0.44 0.00 3.04 -1.90 0.89 116.25 118.57 3hfd h VAL 274 Ca 0.12 -0.26 -0.14 0.00 -1.01 0.00 0.00 66.70 65.41 3hfd h VAL 274 Cb 0.58 0.68 -0.01 0.00 -2.01 0.00 0.00 31.29 30.53 3hfd h VAL 274 CO -0.47 0.11 -0.28 0.44 -1.01 0.00 0.00 177.57 176.36 3hfd h ASP 275 N 0.43 0.98 -0.52 3.17 5.19 -1.41 0.91 116.42 125.17 3hfd h ASP 275 Ca 0.11 -0.40 -0.09 0.00 -0.62 0.00 0.00 57.03 56.03 3hfd h ASP 275 Cb 0.02 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.23 3hfd h ASP 275 CO -0.02 1.19 0.00 1.88 -3.12 0.00 0.00 179.24 179.17 3hfd h TYR 276 N 0.80 1.04 0.47 4.55 0.05 -0.80 -1.25 116.97 121.83 3hfd h TYR 276 Ca 0.09 -0.17 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 3hfd h TYR 276 Cb 0.86 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.31 3hfd h TYR 276 CO 0.05 0.93 -0.32 0.35 -1.05 0.00 0.00 178.16 178.12 3hfd h PHE 277 N 0.89 -0.87 -0.18 4.88 3.57 -0.09 -2.33 116.94 122.81 3hfd h PHE 277 Ca 0.16 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.71 3hfd h PHE 277 Cb 0.52 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 3hfd h PHE 277 CO 0.03 -0.47 0.38 -0.07 -2.23 0.00 0.00 178.31 175.96 3hfd h LEU 278 N -0.75 0.00 -1.65 0.59 3.38 0.81 -3.45 115.31 114.23 3hfd h LEU 278 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3hfd h LEU 278 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3hfd h LEU 278 CO 0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.18 3hfd n GLY 279 N -1.34 0.50 0.08 0.83 0.00 -0.58 -5.01 105.19 99.67 3hfd n GLY 279 Ca 0.02 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.63 3hfd n GLY 279 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3hfd n ILE 280 N -1.00 0.82 -0.37 -0.61 -5.35 -0.59 -5.04 119.36 107.22 3hfd n ILE 280 Ca 0.00 -0.90 0.00 0.00 -0.27 0.00 0.00 62.75 61.58 3hfd n ILE 280 Cb 0.43 0.47 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 3hfd n ILE 280 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41