#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4x s PHE 3 N 0.00 -0.53 -0.03 0.00 -0.12 -1.26 -0.88 117.98 115.16 1h4x s PHE 3 Ca 0.00 0.93 0.06 0.00 -0.05 0.00 0.00 56.93 57.87 1h4x s PHE 3 Cb 0.00 0.31 -0.02 0.00 -0.63 0.00 0.00 43.02 42.68 1h4x s PHE 3 CO 0.00 -0.53 -0.20 -0.65 -0.05 0.00 0.00 175.22 173.79 1h4x s GLN 4 N -1.12 2.28 -0.76 1.99 -0.21 0.88 -4.96 119.66 117.76 1h4x s GLN 4 Ca -0.11 -0.83 -0.04 0.00 0.02 0.00 0.00 55.36 54.40 1h4x s GLN 4 Cb -0.02 -2.21 0.19 0.00 1.00 0.00 0.00 33.01 31.98 1h4x s GLN 4 CO 0.08 0.59 0.63 -0.51 -2.12 0.00 0.00 175.29 173.95 1h4x s LEU 5 N -0.74 5.59 -0.23 2.90 1.43 -1.26 -0.41 118.68 125.96 1h4x s LEU 5 Ca 0.11 -3.17 -0.13 0.00 -1.03 0.00 0.00 54.13 49.92 1h4x s LEU 5 Cb -0.10 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 1h4x s LEU 5 CO 0.00 -0.33 0.26 -0.70 0.23 0.00 0.00 176.35 175.81 1h4x s GLU 6 N -0.53 4.09 -1.24 1.70 2.12 -0.85 -4.92 118.70 119.08 1h4x s GLU 6 Ca 0.21 -0.10 -0.18 0.00 0.36 0.00 0.00 54.97 55.27 1h4x s GLU 6 Cb -0.14 -3.56 0.09 0.00 0.26 0.00 0.00 34.13 30.78 1h4x s GLU 6 CO -0.07 -0.02 1.62 -1.64 -0.54 0.00 0.00 175.26 174.61 1h4x s MET 7 N 1.28 3.96 0.39 4.30 -1.94 -1.26 -0.79 119.30 125.23 1h4x s MET 7 Ca 0.12 -2.02 0.07 0.00 -1.71 0.00 0.00 55.69 52.14 1h4x s MET 7 Cb -0.14 -5.39 0.79 0.00 2.01 0.00 0.00 34.83 32.09 1h4x s MET 7 CO 0.07 -2.13 2.00 -0.39 -0.01 0.00 0.00 175.02 174.55 1h4x h VAL 8 N 5.51 1.13 -3.10 -6.03 -1.51 -1.88 -3.45 116.25 106.92 1h4x h VAL 8 Ca 0.38 -0.40 0.04 0.00 -1.23 0.00 0.00 66.70 65.50 1h4x h VAL 8 Cb 0.89 0.68 -0.05 0.00 -2.13 0.00 0.00 31.29 30.68 1h4x h VAL 8 CO 1.40 0.16 0.18 0.28 -1.23 0.00 0.00 177.57 178.35 1h4x s THR 9 N -5.29 0.00 -0.47 7.19 -1.32 -1.23 -5.07 115.64 109.45 1h4x s THR 9 Ca -0.08 -1.06 -0.44 0.00 -1.21 0.00 0.00 61.69 58.89 1h4x s THR 9 Cb 0.17 -2.09 -0.19 0.00 -1.51 0.00 0.00 72.50 68.88 1h4x s THR 9 CO 0.74 0.00 1.89 -1.14 -2.21 0.00 0.00 174.62 173.90 1h4x n ARG 10 N -0.45 0.17 -2.02 7.08 0.63 -1.26 -0.66 116.66 120.14 1h4x n ARG 10 Ca -0.04 0.06 -0.21 0.00 -0.92 0.00 0.00 57.85 56.74 1h4x n ARG 10 Cb 0.59 -1.62 -0.05 0.00 0.45 0.00 0.00 32.46 31.84 1h4x n ARG 10 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1h4x n GLU 11 N 5.95 -1.58 -4.06 -0.14 1.02 -1.25 -4.95 120.64 115.64 1h4x n GLU 11 Ca 0.42 1.11 -0.31 0.00 -0.02 0.00 0.00 57.16 58.36 1h4x n GLU 11 Cb -0.02 -5.64 -0.16 0.00 -0.02 0.00 0.00 31.44 25.60 1h4x n GLU 11 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1h4x s THR 12 N -2.90 1.73 -0.12 2.62 2.01 0.16 -0.85 115.64 118.29 1h4x s THR 12 Ca 0.00 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.29 1h4x s THR 12 Cb 0.00 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 1h4x s THR 12 CO 0.00 0.48 -0.18 0.54 -0.69 0.00 0.00 174.62 174.78 1h4x s VAL 13 N 1.42 2.62 -0.43 3.82 0.11 -0.45 -2.58 120.40 124.90 1h4x s VAL 13 Ca 0.05 -0.81 -0.21 0.00 -2.93 0.00 0.00 61.98 58.08 1h4x s VAL 13 Cb -0.13 -2.07 0.02 0.00 -1.53 0.00 0.00 36.38 32.68 1h4x s VAL 13 CO -0.11 0.54 0.63 -0.69 -3.33 0.00 0.00 175.10 172.14 1h4x s VAL 14 N 0.41 4.84 -0.89 2.04 1.01 0.03 -1.29 120.40 126.55 1h4x s VAL 14 Ca -0.13 0.12 -0.23 0.00 0.00 0.00 0.00 61.98 61.73 1h4x s VAL 14 Cb -0.17 -4.19 0.06 0.00 0.00 0.00 0.00 36.38 32.08 1h4x s VAL 14 CO 0.06 -0.58 1.30 -0.63 0.00 0.00 0.00 175.10 175.26 1h4x s ILE 15 N 2.79 4.03 -0.25 2.22 1.01 -0.19 -2.00 121.20 128.81 1h4x s ILE 15 Ca 0.22 -0.51 -0.23 0.00 0.00 0.00 0.00 60.65 60.14 1h4x s ILE 15 Cb -0.14 -4.94 -0.01 0.00 0.01 0.00 0.00 42.46 37.38 1h4x s ILE 15 CO 0.19 -1.80 0.74 -0.60 0.00 0.00 0.00 174.94 173.46 1h4x s ARG 16 N 4.75 4.15 -0.10 2.79 3.52 0.46 -1.34 118.95 133.17 1h4x s ARG 16 Ca 0.38 0.76 -0.04 0.00 -0.13 0.00 0.00 55.73 56.71 1h4x s ARG 16 Cb -0.05 -3.65 -0.04 0.00 -1.56 0.00 0.00 34.95 29.66 1h4x s ARG 16 CO -0.01 -0.47 0.05 -0.51 -0.81 0.00 0.00 175.30 173.56 1h4x s LEU 17 N 2.67 3.87 -0.06 -0.88 1.43 -1.04 -0.08 118.68 124.60 1h4x s LEU 17 Ca 0.31 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1h4x s LEU 17 Cb -0.15 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.18 1h4x s LEU 17 CO 0.08 0.37 -0.04 -0.36 0.23 0.00 0.00 176.35 176.64 1h4x s PHE 18 N -0.84 0.83 0.00 0.29 0.40 -0.05 -3.14 117.98 115.47 1h4x s PHE 18 Ca 0.13 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.19 1h4x s PHE 18 Cb -0.12 -0.79 0.00 0.00 0.51 0.00 0.00 43.02 42.62 1h4x s PHE 18 CO 0.03 -0.28 0.00 0.41 0.70 0.00 0.00 175.22 176.08 1h4x n GLY 19 N 4.51 2.95 3.77 4.36 0.00 -0.54 -0.58 105.19 119.66 1h4x n GLY 19 Ca -0.17 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 1h4x n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h4x s GLU 20 N 0.00 4.31 -0.56 1.61 2.12 -1.26 -1.04 118.70 123.88 1h4x s GLU 20 Ca 0.00 0.77 -0.03 0.00 0.36 0.00 0.00 54.97 56.07 1h4x s GLU 20 Cb 0.00 -3.32 0.15 0.00 0.26 0.00 0.00 34.13 31.21 1h4x s GLU 20 CO 0.00 0.42 0.37 -1.17 -0.54 0.00 0.00 175.26 174.34 1h4x s LEU 21 N -0.38 5.26 0.90 2.70 2.96 -0.02 -1.99 118.68 128.10 1h4x s LEU 21 Ca 0.31 -2.60 -0.14 0.00 -0.22 0.00 0.00 54.13 51.48 1h4x s LEU 21 Cb -0.19 -1.85 0.15 0.00 0.50 0.00 0.00 46.19 44.80 1h4x s LEU 21 CO 0.18 -0.43 1.26 1.51 -1.32 0.00 0.00 176.35 177.56 1h4x s ASP 22 N 1.06 3.70 0.50 3.68 1.47 -1.26 0.32 116.67 126.13 1h4x s ASP 22 Ca 0.14 0.50 0.24 0.00 1.18 0.00 0.00 52.55 54.61 1h4x s ASP 22 Cb -0.21 -0.73 1.33 0.00 -0.34 0.00 0.00 42.92 42.97 1h4x s ASP 22 CO -0.04 -2.39 2.05 1.12 0.68 0.00 0.00 175.17 176.59 1h4x h HIS 23 N -1.40 0.00 -0.39 2.11 2.07 -1.97 -0.98 115.15 114.58 1h4x h HIS 23 Ca -0.45 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.05 1h4x h HIS 23 Cb 1.28 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.24 1h4x h HIS 23 CO -0.52 0.14 0.17 0.45 -3.07 0.00 0.00 177.93 175.10 1h4x h HIS 24 N 0.00 0.59 -0.67 6.12 3.86 -2.00 -2.11 115.15 120.94 1h4x h HIS 24 Ca -0.00 -0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.10 1h4x h HIS 24 Cb 0.34 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.61 1h4x h HIS 24 CO 0.00 0.51 0.14 0.00 0.86 0.00 0.00 177.93 179.44 1h4x h ALA 25 N 1.02 0.88 -0.56 2.45 0.00 -1.74 -1.64 119.26 119.66 1h4x h ALA 25 Ca 0.13 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1h4x h ALA 25 Cb 0.16 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1h4x h ALA 25 CO -0.01 0.61 0.22 0.28 0.00 0.00 0.00 179.25 180.35 1h4x h VAL 26 N 1.00 0.82 -0.32 0.00 2.07 -1.07 -1.52 116.25 117.23 1h4x h VAL 26 Ca 0.21 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.50 1h4x h VAL 26 Cb 0.39 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1h4x h VAL 26 CO 0.01 0.08 -0.17 -0.08 0.02 0.00 0.00 177.57 177.42 1h4x h GLU 27 N 0.41 0.58 -0.52 1.57 4.57 -1.04 -0.23 114.58 119.92 1h4x h GLU 27 Ca 0.27 -0.20 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1h4x h GLU 27 Cb 0.30 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 1h4x h GLU 27 CO -0.26 0.73 0.27 1.96 -1.18 0.00 0.00 179.01 180.53 1h4x h GLN 28 N 0.53 0.74 -0.27 1.92 4.20 -0.69 -1.81 115.11 119.73 1h4x h GLN 28 Ca 0.09 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1h4x h GLN 28 Cb 0.60 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1h4x h GLN 28 CO 0.04 0.60 0.02 0.82 -0.67 0.00 0.00 178.83 179.64 1h4x h ILE 29 N 0.70 1.24 -0.33 2.54 2.04 -0.97 -2.51 117.51 120.22 1h4x h ILE 29 Ca 0.18 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.20 1h4x h ILE 29 Cb 0.09 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 1h4x h ILE 29 CO -0.03 0.27 0.21 -0.09 0.00 0.00 0.00 178.15 178.52 1h4x h ARG 30 N 0.26 0.42 -0.37 2.37 2.43 -0.83 -0.47 114.38 118.19 1h4x h ARG 30 Ca 0.08 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1h4x h ARG 30 Cb 0.37 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1h4x h ARG 30 CO 0.01 0.28 0.14 0.00 -1.51 0.00 0.00 179.97 178.89 1h4x h ALA 31 N 1.13 0.48 -0.21 2.80 0.00 -1.31 -0.63 119.26 121.52 1h4x h ALA 31 Ca 0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1h4x h ALA 31 Cb -0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1h4x h ALA 31 CO -0.04 0.09 -0.06 -0.22 0.00 0.00 0.00 179.25 179.03 1h4x h LYS 32 N 0.46 0.41 -0.01 0.00 1.63 -1.15 -2.68 116.57 115.22 1h4x h LYS 32 Ca 0.12 -0.16 -0.25 0.00 -0.85 0.00 0.00 60.65 59.51 1h4x h LYS 32 Cb 0.20 -0.02 0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1h4x h LYS 32 CO -0.01 0.67 -0.98 0.82 -3.45 0.00 0.00 179.45 176.50 1h4x h ILE 33 N 0.14 1.33 -0.27 2.00 1.08 -1.09 -2.12 117.51 118.57 1h4x h ILE 33 Ca 0.05 -2.30 0.03 0.00 -0.39 0.00 0.00 64.86 62.26 1h4x h ILE 33 Cb 0.52 2.35 -0.03 0.00 -3.07 0.00 0.00 36.82 36.59 1h4x h ILE 33 CO 0.02 0.70 0.08 0.77 -0.69 0.00 0.00 178.15 179.03 1h4x h SER 34 N 0.34 0.07 -0.55 1.72 4.64 -1.18 -0.73 113.55 117.86 1h4x h SER 34 Ca -0.10 0.03 0.05 0.00 -0.47 0.00 0.00 61.79 61.30 1h4x h SER 34 Cb 1.62 0.03 -0.05 0.00 -0.31 0.00 0.00 62.40 63.70 1h4x h SER 34 CO 0.18 0.07 0.29 0.74 -0.87 0.00 0.00 176.83 177.25 1h4x h THR 35 N 0.19 0.97 -0.79 2.95 2.02 -1.48 -1.36 112.91 115.40 1h4x h THR 35 Ca 0.12 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1h4x h THR 35 Cb 0.10 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 1h4x h THR 35 CO -0.14 0.10 0.45 0.00 0.37 0.00 0.00 175.52 176.30 1h4x h ALA 36 N 1.29 1.30 -0.15 6.16 0.00 -0.79 -1.03 119.26 126.04 1h4x h ALA 36 Ca 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1h4x h ALA 36 Cb 0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1h4x h ALA 36 CO -0.16 0.58 0.03 0.82 0.00 0.00 0.00 179.25 180.52 1h4x h ILE 37 N 1.10 1.21 -0.82 0.00 2.04 -0.69 0.15 117.51 120.52 1h4x h ILE 37 Ca 0.28 -0.68 0.05 0.00 1.00 0.00 0.00 64.86 65.51 1h4x h ILE 37 Cb 0.00 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1h4x h ILE 37 CO -0.05 0.20 0.54 -0.26 0.00 0.00 0.00 178.15 178.58 1h4x h PHE 38 N 0.03 0.95 0.00 1.37 0.04 -0.90 -2.09 116.94 116.35 1h4x h PHE 38 Ca 0.05 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1h4x h PHE 38 Cb 0.29 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.12 1h4x h PHE 38 CO 0.01 0.53 -0.16 1.96 -0.60 0.00 0.00 178.31 180.05 1h4x h GLN 39 N 0.96 0.00 0.00 1.51 4.20 -1.13 -3.47 115.11 117.18 1h4x h GLN 39 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1h4x h GLN 39 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1h4x h GLN 39 CO -0.11 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.46 1h4x n GLY 40 N 1.13 0.87 0.17 3.46 0.00 -0.52 -4.95 105.19 105.35 1h4x n GLY 40 Ca 0.03 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.06 1h4x n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h4x h ALA 41 N 0.00 0.80 -3.37 4.61 0.00 -0.99 -3.43 119.26 116.88 1h4x h ALA 41 Ca 0.00 -0.33 -0.56 0.00 0.00 0.00 0.00 54.91 54.02 1h4x h ALA 41 Cb 0.00 -0.06 -0.34 0.00 0.00 0.00 0.00 17.79 17.39 1h4x h ALA 41 CO 0.00 0.46 -0.83 0.08 0.00 0.00 0.00 179.25 178.96 1h4x s VAL 42 N -3.15 1.35 0.00 0.00 1.01 -0.96 -3.87 120.40 114.79 1h4x s VAL 42 Ca 0.04 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1h4x s VAL 42 Cb 0.08 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.23 1h4x s VAL 42 CO 0.71 0.41 0.10 0.35 0.00 0.00 0.00 175.10 176.67 1h4x n THR 43 N 3.88 0.00 -3.87 3.92 -2.24 -0.03 -4.31 114.28 111.63 1h4x n THR 43 Ca -0.21 -0.30 -0.19 0.00 -2.27 0.00 0.00 64.05 61.08 1h4x n THR 43 Cb 0.52 1.13 -0.17 0.00 -2.10 0.00 0.00 70.33 69.71 1h4x n THR 43 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1h4x s THR 44 N -0.40 0.20 -0.21 4.28 2.01 -0.99 -0.68 115.64 119.84 1h4x s THR 44 Ca 0.00 0.13 -0.03 0.00 0.31 0.00 0.00 61.69 62.10 1h4x s THR 44 Cb 0.00 -0.33 -0.00 0.00 0.01 0.00 0.00 72.50 72.17 1h4x s THR 44 CO 0.00 0.18 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.41 1h4x s ILE 45 N 1.40 3.17 -0.45 1.82 1.01 -0.30 -1.34 121.20 126.50 1h4x s ILE 45 Ca -0.04 -0.56 -0.15 0.00 0.00 0.00 0.00 60.65 59.89 1h4x s ILE 45 Cb -0.13 -2.43 0.06 0.00 0.01 0.00 0.00 42.46 39.97 1h4x s ILE 45 CO -0.03 0.44 0.37 -0.63 0.00 0.00 0.00 174.94 175.09 1h4x s ILE 46 N 1.43 5.20 -0.50 2.92 1.01 -0.41 -0.95 121.20 129.90 1h4x s ILE 46 Ca 0.05 -0.98 -0.28 0.00 0.00 0.00 0.00 60.65 59.45 1h4x s ILE 46 Cb -0.14 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 38.29 1h4x s ILE 46 CO -0.05 -0.51 1.40 0.26 0.00 0.00 0.00 174.94 176.05 1h4x s TRP 47 N 1.64 2.35 -0.56 3.97 0.52 0.28 -1.03 118.94 126.12 1h4x s TRP 47 Ca 0.04 0.57 -0.19 0.00 0.02 0.00 0.00 56.10 56.55 1h4x s TRP 47 Cb -0.23 -4.36 0.09 0.00 -1.15 0.00 0.00 33.47 27.82 1h4x s TRP 47 CO 0.07 -1.94 0.66 1.21 0.02 0.00 0.00 176.95 176.98 1h4x s ASN 48 N 4.16 6.19 0.00 2.95 3.84 -0.45 -0.71 114.94 130.93 1h4x s ASN 48 Ca 0.56 -1.34 0.29 0.00 0.21 0.00 0.00 52.86 52.58 1h4x s ASN 48 Cb -0.12 -2.29 1.34 0.00 -0.55 0.00 0.00 41.25 39.64 1h4x s ASN 48 CO 0.28 -1.03 1.91 0.49 -2.79 0.00 0.00 177.10 175.97 1h4x n PHE 49 N 6.18 0.00 -0.26 0.43 3.72 0.05 -2.49 117.46 125.09 1h4x n PHE 49 Ca -0.09 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.38 1h4x n PHE 49 Cb 0.43 -0.06 0.20 0.00 -0.94 0.00 0.00 39.48 39.11 1h4x n PHE 49 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1h4x h GLU 50 N 1.08 0.25 -0.30 -1.08 4.81 -1.61 -2.40 114.58 115.33 1h4x h GLU 50 Ca 0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1h4x h GLU 50 Cb 0.31 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1h4x h GLU 50 CO 0.00 0.16 0.00 0.54 -0.73 0.00 0.00 179.01 178.99 1h4x n ARG 51 N -5.17 3.00 -2.52 1.92 1.74 -1.25 -4.94 116.66 109.43 1h4x n ARG 51 Ca 0.15 -2.89 -0.42 0.00 -0.77 0.00 0.00 57.85 53.92 1h4x n ARG 51 Cb 0.50 -1.88 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 1h4x n ARG 51 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1h4x s LEU 52 N -2.86 4.27 -0.11 0.55 2.96 -0.90 -1.47 118.68 121.11 1h4x s LEU 52 Ca 0.43 1.74 -0.18 0.00 -0.22 0.00 0.00 54.13 55.91 1h4x s LEU 52 Cb 0.35 -3.56 -0.15 0.00 0.50 0.00 0.00 46.19 43.33 1h4x s LEU 52 CO 0.09 -0.54 0.51 -1.28 -1.32 0.00 0.00 176.35 173.80 1h4x h SER 53 N 7.35 -0.02 -4.91 3.68 0.87 -1.39 -3.45 113.55 115.67 1h4x h SER 53 Ca -0.33 -0.56 0.12 0.00 -1.23 0.00 0.00 61.79 59.79 1h4x h SER 53 Cb 1.16 0.01 -0.12 0.00 -0.44 0.00 0.00 62.40 63.00 1h4x h SER 53 CO 0.87 0.74 0.47 0.72 -0.53 0.00 0.00 176.83 179.10 1h4x s PHE 54 N -2.14 -0.28 0.05 2.24 -0.12 -1.14 -5.01 117.98 111.58 1h4x s PHE 54 Ca -0.11 0.08 0.02 0.00 -0.05 0.00 0.00 56.93 56.86 1h4x s PHE 54 Cb -0.01 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.93 1h4x s PHE 54 CO 0.42 -0.68 -0.07 0.00 -0.05 0.00 0.00 175.22 174.84 1h4x s MET 55 N -3.24 0.54 0.00 1.99 0.23 -1.26 -0.84 119.30 116.72 1h4x s MET 55 Ca 0.07 -0.83 0.00 0.00 -1.03 0.00 0.00 55.69 53.90 1h4x s MET 55 Cb -0.01 -0.19 0.00 0.00 -1.53 0.00 0.00 34.83 33.10 1h4x s MET 55 CO -0.05 0.02 0.00 -3.47 -2.03 0.00 0.00 175.02 169.48 1h4x n ASP 56 N 1.23 0.00 0.00 -1.18 -0.08 0.15 -4.80 116.55 111.87 1h4x n ASP 56 Ca -0.21 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.07 1h4x n ASP 56 Cb 0.56 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.02 1h4x n ASP 56 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1h4x n SER 58 N 0.00 0.00 0.24 1.67 3.41 -1.26 -4.42 113.62 113.26 1h4x n SER 58 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1h4x n SER 58 Cb 0.00 0.00 0.60 0.00 -0.26 0.00 0.00 64.21 64.55 1h4x n SER 58 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1h4x h GLY 59 N 0.00 0.00 0.80 5.00 0.00 -1.91 -1.73 103.07 105.22 1h4x h GLY 59 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1h4x h GLY 59 CO 0.00 0.00 0.01 -2.08 0.00 0.00 0.00 176.54 174.47 1h4x h VAL 60 N 0.00 1.24 -0.70 4.60 2.07 -1.95 -2.70 116.25 118.81 1h4x h VAL 60 Ca -0.00 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.77 1h4x h VAL 60 Cb 0.52 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 1h4x h VAL 60 CO 0.02 0.23 0.46 1.23 0.02 0.00 0.00 177.57 179.53 1h4x h GLY 61 N 0.00 0.97 0.66 2.17 0.00 -1.91 -1.21 103.07 103.75 1h4x h GLY 61 Ca 0.04 -0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.06 1h4x h GLY 61 CO 0.01 0.33 0.07 -2.00 0.00 0.00 0.00 176.54 174.94 1h4x h LEU 62 N 0.90 0.03 0.05 3.11 5.85 -1.04 0.17 115.31 124.37 1h4x h LEU 62 Ca 0.27 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.03 1h4x h LEU 62 Cb -0.03 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1h4x h LEU 62 CO -0.07 0.05 -0.02 0.58 -0.34 0.00 0.00 178.44 178.65 1h4x h VAL 63 N 0.19 1.16 -0.51 1.05 2.07 -1.12 -2.68 116.25 116.40 1h4x h VAL 63 Ca 0.14 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1h4x h VAL 63 Cb 0.15 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1h4x h VAL 63 CO -0.18 0.17 0.08 -0.07 0.02 0.00 0.00 177.57 177.59 1h4x h LEU 64 N -0.36 0.75 -0.60 2.57 4.07 -1.10 -1.27 115.31 119.37 1h4x h LEU 64 Ca -0.01 -0.15 -0.08 0.00 0.08 0.00 0.00 57.88 57.73 1h4x h LEU 64 Cb 0.33 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 1h4x h LEU 64 CO 0.01 0.76 0.07 1.23 -1.08 0.00 0.00 178.44 179.44 1h4x h GLY 65 N 0.96 1.08 1.93 0.83 0.00 -0.69 -2.12 103.07 105.07 1h4x h GLY 65 Ca 0.16 -0.74 -0.11 0.00 0.00 0.00 0.00 47.33 46.64 1h4x h GLY 65 CO 0.01 0.69 -0.50 3.21 0.00 0.00 0.00 176.54 179.94 1h4x h ARG 66 N 0.91 0.07 -0.66 4.80 -0.00 -1.12 -1.68 114.38 116.71 1h4x h ARG 66 Ca 0.18 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.98 59.60 1h4x h ARG 66 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.40 1h4x h ARG 66 CO 0.02 0.56 0.36 0.52 0.00 0.00 0.00 179.97 181.42 1h4x h MET 67 N 0.06 0.92 -0.43 0.04 2.86 -0.84 -0.16 114.93 117.38 1h4x h MET 67 Ca -0.00 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.40 1h4x h MET 67 Cb 0.90 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 1h4x h MET 67 CO 0.07 0.69 -0.24 0.00 1.06 0.00 0.00 176.91 178.49 1h4x h ARG 68 N 0.90 0.90 -0.81 1.72 2.47 -1.11 0.76 114.38 119.21 1h4x h ARG 68 Ca 0.23 -0.39 -0.03 0.00 -1.26 0.00 0.00 59.98 58.53 1h4x h ARG 68 Cb 0.04 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.30 1h4x h ARG 68 CO -0.04 1.04 0.39 0.93 0.56 0.00 0.00 179.97 182.86 1h4x h GLU 69 N 0.77 1.16 0.16 0.04 5.08 -0.86 -3.06 114.58 117.87 1h4x h GLU 69 Ca 0.10 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1h4x h GLU 69 Cb 0.80 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1h4x h GLU 69 CO 0.07 0.89 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.82 1h4x h LEU 70 N 1.14 -0.18 -1.79 1.33 3.38 -0.74 -2.93 115.31 115.52 1h4x h LEU 70 Ca 0.28 -0.20 0.46 0.00 0.09 0.00 0.00 57.88 58.51 1h4x h LEU 70 Cb 0.11 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.82 1h4x h LEU 70 CO -0.04 0.10 1.09 -0.08 0.09 0.00 0.00 178.44 179.60 1h4x h GLU 71 N -0.47 0.04 0.00 1.13 4.57 -0.77 0.80 114.58 119.88 1h4x h GLU 71 Ca -0.02 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 1h4x h GLU 71 Cb 0.37 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1h4x h GLU 71 CO 0.04 0.03 -0.20 0.00 -1.18 0.00 0.00 179.01 177.70 1h4x h ALA 72 N 1.31 1.14 -0.14 2.92 0.00 -1.42 -2.70 119.26 120.37 1h4x h ALA 72 Ca 0.80 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.53 1h4x h ALA 72 Cb 2.96 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 20.72 1h4x h ALA 72 CO -0.14 0.24 -0.01 1.33 0.00 0.00 0.00 179.25 180.67 1h4x n VAL 73 N -3.53 2.11 -4.03 0.00 0.24 0.27 -4.95 118.33 108.45 1h4x n VAL 73 Ca -0.01 -2.09 -0.31 0.00 -2.04 0.00 0.00 64.34 59.89 1h4x n VAL 73 Cb 0.35 -0.25 -0.00 0.00 -1.47 0.00 0.00 33.84 32.46 1h4x n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h4x n ALA 74 N -0.95 -1.49 -1.55 2.33 0.00 -0.73 -4.98 120.51 113.13 1h4x n ALA 74 Ca 0.19 -0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.33 1h4x n ALA 74 Cb 0.78 -3.25 0.17 0.00 0.00 0.00 0.00 19.45 17.15 1h4x n ALA 74 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1h4x s GLY 75 N -3.61 1.63 -0.02 0.00 0.00 -0.67 -4.98 107.32 99.66 1h4x s GLY 75 Ca 0.50 -0.79 0.07 0.00 0.00 0.00 0.00 44.72 44.50 1h4x s GLY 75 CO 0.88 -0.11 -0.23 -1.60 0.00 0.00 0.00 173.10 172.04 1h4x s ARG 76 N -5.47 1.88 -0.10 2.90 3.52 0.14 -4.64 118.95 117.18 1h4x s ARG 76 Ca 0.68 -0.82 0.03 0.00 -0.13 0.00 0.00 55.73 55.49 1h4x s ARG 76 Cb -0.11 -1.81 0.00 0.00 -1.56 0.00 0.00 34.95 31.48 1h4x s ARG 76 CO 0.54 0.49 -0.21 0.99 -0.81 0.00 0.00 175.30 176.30 1h4x s THR 77 N -0.53 1.84 -0.14 4.11 2.01 -1.26 -1.15 115.64 120.52 1h4x s THR 77 Ca 0.09 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.22 1h4x s THR 77 Cb -0.09 -1.61 0.01 0.00 0.01 0.00 0.00 72.50 70.82 1h4x s THR 77 CO -0.01 0.51 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.61 1h4x s ILE 78 N 0.47 1.90 -0.51 1.82 1.01 -0.13 -4.86 121.20 120.90 1h4x s ILE 78 Ca -0.17 -0.88 -0.17 0.00 0.00 0.00 0.00 60.65 59.43 1h4x s ILE 78 Cb -0.17 -1.70 0.08 0.00 0.01 0.00 0.00 42.46 40.68 1h4x s ILE 78 CO 0.07 0.52 0.54 -0.76 0.00 0.00 0.00 174.94 175.31 1h4x s LEU 79 N 0.96 5.42 -0.20 2.97 1.43 0.42 -0.56 118.68 129.12 1h4x s LEU 79 Ca -0.05 -1.26 -0.10 0.00 -1.03 0.00 0.00 54.13 51.70 1h4x s LEU 79 Cb -0.15 -2.30 -0.05 0.00 0.03 0.00 0.00 46.19 43.72 1h4x s LEU 79 CO -0.04 -0.84 0.13 -0.22 0.23 0.00 0.00 176.35 175.60 1h4x s LEU 80 N 2.17 4.15 -1.25 1.79 2.96 0.12 -0.33 118.68 128.28 1h4x s LEU 80 Ca 0.09 0.20 -0.00 0.00 -0.22 0.00 0.00 54.13 54.19 1h4x s LEU 80 Cb -0.23 -2.08 -0.00 0.00 0.50 0.00 0.00 46.19 44.38 1h4x s LEU 80 CO 0.08 0.16 0.83 0.59 -1.32 0.00 0.00 176.35 176.69 1h4x n ASN 81 N 3.63 -1.69 -4.77 3.68 3.02 -0.44 -0.77 115.26 117.91 1h4x n ASN 81 Ca -0.16 -0.74 -0.37 0.00 -0.03 0.00 0.00 54.58 53.28 1h4x n ASN 81 Cb 0.52 -4.51 -0.00 0.00 -0.61 0.00 0.00 39.78 35.18 1h4x n ASN 81 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1h4x s PRO 82 N -5.69 3.68 0.96 3.52 0.04 -1.26 -2.65 135.00 133.61 1h4x s PRO 82 Ca 0.02 1.88 -0.15 0.00 0.04 0.00 0.00 61.00 62.78 1h4x s PRO 82 Cb -0.00 -2.42 0.18 0.00 0.04 0.00 0.00 34.50 32.30 1h4x s PRO 82 CO 0.78 -0.64 1.23 -1.54 0.04 0.00 0.00 177.00 176.87 1h4x s SER 83 N -1.24 3.12 0.25 6.66 1.04 -1.26 -4.67 113.70 117.60 1h4x s SER 83 Ca 0.64 0.54 -0.04 0.00 0.48 0.00 0.00 55.95 57.57 1h4x s SER 83 Cb -0.31 -0.80 0.36 0.00 0.10 0.00 0.00 66.02 65.37 1h4x s SER 83 CO 0.38 -2.75 1.87 -0.65 0.98 0.00 0.00 173.24 173.07 1h4x h PRO 84 N -1.65 1.08 -0.38 4.02 0.11 -1.99 0.63 132.00 133.81 1h4x h PRO 84 Ca -0.46 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.56 1h4x h PRO 84 Cb 1.28 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1h4x h PRO 84 CO 0.47 0.71 0.13 1.15 -0.21 0.00 0.00 178.00 180.26 1h4x h THR 85 N 1.11 1.21 -0.20 -1.15 2.02 -1.99 -1.17 112.91 112.73 1h4x h THR 85 Ca 0.40 -0.66 -0.17 0.00 0.77 0.00 0.00 66.41 66.76 1h4x h THR 85 Cb 0.14 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1h4x h THR 85 CO -0.16 0.23 -0.56 0.24 0.37 0.00 0.00 175.52 175.64 1h4x h MET 86 N 0.47 0.60 -0.85 6.66 2.86 -1.78 -1.75 114.93 121.14 1h4x h MET 86 Ca 0.13 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.37 1h4x h MET 86 Cb 0.23 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 1h4x h MET 86 CO -0.01 1.00 0.47 -0.09 1.06 0.00 0.00 176.91 179.33 1h4x h ARG 87 N 0.46 1.18 -0.25 1.72 2.43 -0.72 -1.64 114.38 117.57 1h4x h ARG 87 Ca 0.01 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1h4x h ARG 87 Cb 1.11 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1h4x h ARG 87 CO 0.11 0.87 0.11 -0.22 -1.51 0.00 0.00 179.97 179.33 1h4x h LYS 88 N 1.18 0.36 -0.45 0.20 3.64 -0.98 0.04 116.57 120.56 1h4x h LYS 88 Ca 0.30 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.53 1h4x h LYS 88 Cb 0.03 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1h4x h LYS 88 CO -0.05 0.37 -0.12 -0.24 -2.27 0.00 0.00 179.45 177.14 1h4x h VAL 89 N 0.26 1.26 -0.08 2.00 3.04 -1.12 -1.34 116.25 120.27 1h4x h VAL 89 Ca 0.08 -1.20 -0.20 0.00 -1.01 0.00 0.00 66.70 64.38 1h4x h VAL 89 Cb 0.13 1.04 -0.00 0.00 -2.01 0.00 0.00 31.29 30.45 1h4x h VAL 89 CO -0.01 0.41 -0.76 -0.26 -1.01 0.00 0.00 177.57 175.94 1h4x h PHE 90 N 0.74 0.65 -0.25 3.17 0.04 -1.24 -3.01 116.94 117.03 1h4x h PHE 90 Ca 0.12 -0.29 -0.05 0.00 2.80 0.00 0.00 57.97 60.55 1h4x h PHE 90 Cb 0.62 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 1h4x h PHE 90 CO 0.03 1.07 -0.04 1.96 -0.60 0.00 0.00 178.31 180.73 1h4x h GLN 91 N 0.32 0.39 -0.63 1.51 1.08 -0.80 -1.15 115.11 115.84 1h4x h GLN 91 Ca -0.04 -0.08 0.03 0.00 -1.45 0.00 0.00 58.65 57.11 1h4x h GLN 91 Cb 1.35 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.69 1h4x h GLN 91 CO 0.14 0.46 0.41 0.35 -0.95 0.00 0.00 178.83 179.24 1h4x h PHE 92 N 0.38 0.71 -0.33 2.96 3.04 -1.11 0.14 116.94 122.73 1h4x h PHE 92 Ca 0.08 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.05 1h4x h PHE 92 Cb 0.32 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.60 1h4x h PHE 92 CO 0.01 0.41 0.00 0.43 -2.02 0.00 0.00 178.31 177.14 1h4x n SER 93 N -4.46 2.97 -0.86 0.41 7.64 -0.86 -4.90 113.62 113.55 1h4x n SER 93 Ca 0.08 -2.32 -0.08 0.00 1.01 0.00 0.00 58.87 57.56 1h4x n SER 93 Cb 0.14 -0.48 -0.01 0.00 -1.01 0.00 0.00 64.21 62.84 1h4x n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h4x n GLY 94 N 0.59 0.30 1.74 0.23 0.00 0.48 -4.90 105.19 103.63 1h4x n GLY 94 Ca 0.14 -0.57 0.08 0.00 0.00 0.00 0.00 46.02 45.66 1h4x n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h4x n LEU 95 N -1.12 5.23 -0.29 0.99 4.77 -0.49 -4.34 117.00 121.74 1h4x n LEU 95 Ca -0.09 -2.65 0.10 0.00 -0.03 0.00 0.00 56.01 53.34 1h4x n LEU 95 Cb 0.49 -0.64 0.26 0.00 -2.33 0.00 0.00 43.42 41.20 1h4x n LEU 95 CO 0.12 0.69 1.05 1.23 -1.33 0.00 0.00 177.39 179.15 1h4x h GLY 96 N 4.15 1.41 2.00 -0.72 0.00 -1.85 0.62 103.07 108.66 1h4x h GLY 96 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1h4x h GLY 96 CO 0.38 -0.17 0.00 -1.05 0.00 0.00 0.00 176.54 175.69 1h4x n PRO 97 N -4.99 0.08 0.00 4.80 -0.02 -1.26 -1.85 135.00 131.76 1h4x n PRO 97 Ca 0.19 0.51 0.07 0.00 -2.02 0.00 0.00 63.50 62.25 1h4x n PRO 97 Cb 0.55 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 1h4x n PRO 97 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1h4x n TRP 98 N -1.90 0.00 -3.53 6.00 8.01 0.19 -4.97 117.44 121.25 1h4x n TRP 98 Ca 0.00 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.81 1h4x n TRP 98 Cb 0.07 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.31 1h4x n TRP 98 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1h4x s MET 99 N -1.76 3.91 -0.02 -0.99 -1.94 -0.77 -0.43 119.30 117.29 1h4x s MET 99 Ca 0.13 0.35 -0.17 0.00 -1.71 0.00 0.00 55.69 54.29 1h4x s MET 99 Cb 0.12 -3.24 0.03 0.00 2.01 0.00 0.00 34.83 33.75 1h4x s MET 99 CO 0.36 0.65 0.36 0.00 -0.01 0.00 0.00 175.02 176.39 1h4x s MET 100 N -0.92 0.71 -0.43 2.03 0.23 0.55 -4.93 119.30 116.54 1h4x s MET 100 Ca 0.23 -0.11 -0.11 0.00 -1.03 0.00 0.00 55.69 54.67 1h4x s MET 100 Cb -0.16 0.32 0.07 0.00 -1.53 0.00 0.00 34.83 33.53 1h4x s MET 100 CO 0.12 -0.20 0.29 -0.51 -2.03 0.00 0.00 175.02 172.69 1h4x s ASP 101 N -1.25 5.77 0.35 -1.18 1.01 -1.26 -1.33 116.67 118.78 1h4x s ASP 101 Ca -0.13 -1.44 -0.13 0.00 0.71 0.00 0.00 52.55 51.57 1h4x s ASP 101 Cb -0.04 -2.04 0.03 0.00 1.01 0.00 0.00 42.92 41.88 1h4x s ASP 101 CO 0.05 -0.56 0.68 0.00 0.21 0.00 0.00 175.17 175.55 1h4x s ALA 102 N 1.49 -0.38 0.69 5.23 0.00 -1.26 -5.00 121.76 122.52 1h4x s ALA 102 Ca 0.03 -0.90 -0.15 0.00 0.00 0.00 0.00 51.96 50.94 1h4x s ALA 102 Cb -0.23 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.75 1h4x s ALA 102 CO 0.03 -0.93 1.17 0.95 0.00 0.00 0.00 175.76 176.98 1h4x s THR 103 N -2.84 2.73 0.27 0.00 -4.23 -1.26 -4.78 115.64 105.53 1h4x s THR 103 Ca 0.19 0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 61.02 1h4x s THR 103 Cb -0.04 -2.92 0.25 0.00 1.34 0.00 0.00 72.50 71.14 1h4x s THR 103 CO 0.13 -0.19 1.94 -0.08 -0.54 0.00 0.00 174.62 175.88 1h4x h GLU 104 N -0.03 1.21 -0.68 3.99 4.81 -2.01 -1.93 114.58 119.96 1h4x h GLU 104 Ca -0.48 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 58.62 1h4x h GLU 104 Cb 1.27 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 1h4x h GLU 104 CO 0.52 0.82 0.24 0.93 -0.73 0.00 0.00 179.01 180.79 1h4x h GLU 105 N 1.24 1.03 -0.73 1.92 3.07 -1.99 -0.50 114.58 118.63 1h4x h GLU 105 Ca 0.33 -0.21 0.01 0.00 -0.50 0.00 0.00 59.36 59.00 1h4x h GLU 105 Cb -0.12 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 27.60 1h4x h GLU 105 CO -0.07 0.88 0.48 0.93 -1.40 0.00 0.00 179.01 179.83 1h4x h GLU 106 N 0.98 0.95 -0.18 2.33 5.08 -1.76 0.33 114.58 122.31 1h4x h GLU 106 Ca 0.22 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1h4x h GLU 106 Cb 0.25 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1h4x h GLU 106 CO -0.01 0.63 0.04 0.00 -1.00 0.00 0.00 179.01 178.67 1h4x h ALA 107 N 1.27 0.23 -0.09 3.43 0.00 -0.94 -2.25 119.26 120.91 1h4x h ALA 107 Ca 0.27 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1h4x h ALA 107 Cb -0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1h4x h ALA 107 CO -0.06 -0.13 0.05 0.82 0.00 0.00 0.00 179.25 179.93 1h4x h ILE 108 N 0.09 1.08 -0.68 0.00 2.04 -0.93 -2.87 117.51 116.25 1h4x h ILE 108 Ca 0.06 -0.24 0.05 0.00 1.00 0.00 0.00 64.86 65.73 1h4x h ILE 108 Cb 0.26 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1h4x h ILE 108 CO 0.00 0.07 0.45 0.44 0.00 0.00 0.00 178.15 179.11 1h4x h ASP 109 N 0.06 0.65 -0.94 1.72 3.32 -0.93 -0.96 116.42 119.34 1h4x h ASP 109 Ca 0.03 -0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.17 1h4x h ASP 109 Cb 0.08 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.41 1h4x h ASP 109 CO -0.01 0.44 0.58 -0.09 -1.72 0.00 0.00 179.24 178.44 1h4x h ARG 110 N 0.75 0.97 -0.37 3.56 9.65 -1.18 -2.49 114.38 125.28 1h4x h ARG 110 Ca 0.28 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 59.10 1h4x h ARG 110 Cb 0.17 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 1h4x h ARG 110 CO -0.09 0.65 0.00 1.33 2.80 0.00 0.00 179.97 184.66 1h4x n VAL 111 N -4.61 0.49 1.20 0.20 0.24 -0.40 -5.13 118.33 110.31 1h4x n VAL 111 Ca 0.15 -0.58 0.10 0.00 -2.04 0.00 0.00 64.34 61.97 1h4x n VAL 111 Cb 0.25 0.47 0.57 0.00 -1.47 0.00 0.00 33.84 33.66 1h4x n VAL 111 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23