#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 -0.42 0.00 0.00 -0.12 -1.26 -1.85 117.98 114.34 1h4x s PHE 3 Ca 0.00 0.57 0.04 0.00 -0.05 0.00 0.00 56.93 57.49 1h4x s PHE 3 Cb 0.00 0.30 -0.01 0.00 -0.63 0.00 0.00 43.02 42.68 1h4x s PHE 3 CO 0.00 -0.58 -0.13 -0.65 -0.05 0.00 0.00 175.22 173.81 1h4x s GLN 4 N -1.94 1.01 -0.17 1.99 -0.21 -0.47 -4.97 119.66 114.90 1h4x s GLN 4 Ca -0.08 -0.55 -0.02 0.00 0.02 0.00 0.00 55.36 54.73 1h4x s GLN 4 Cb -0.01 -0.99 -0.01 0.00 1.00 0.00 0.00 33.01 33.00 1h4x s GLN 4 CO 0.02 0.26 -0.08 -0.51 -2.12 0.00 0.00 175.29 172.86 1h4x s LEU 5 N -0.56 2.86 -0.09 2.90 1.43 -1.26 -0.87 118.68 123.09 1h4x s LEU 5 Ca 0.04 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 52.76 1h4x s LEU 5 Cb -0.06 -1.69 0.04 0.00 0.03 0.00 0.00 46.19 44.51 1h4x s LEU 5 CO 0.00 0.08 0.20 -0.70 0.23 0.00 0.00 176.35 176.16 1h4x s GLU 6 N 0.87 0.17 -0.41 1.70 2.12 -0.90 -4.95 118.70 117.29 1h4x s GLU 6 Ca -0.02 0.44 -0.29 0.00 0.36 0.00 0.00 54.97 55.46 1h4x s GLU 6 Cb -0.15 -0.11 0.02 0.00 0.26 0.00 0.00 34.13 34.16 1h4x s GLU 6 CO 0.01 -0.14 1.09 -1.64 -0.54 0.00 0.00 175.26 174.03 1h4x s MET 7 N 1.06 3.84 0.00 4.30 -1.94 -1.26 -0.27 119.30 125.03 1h4x s MET 7 Ca -0.08 0.72 0.15 0.00 -1.71 0.00 0.00 55.69 54.78 1h4x s MET 7 Cb -0.09 -3.84 -0.14 0.00 2.01 0.00 0.00 34.83 32.76 1h4x s MET 7 CO -0.06 -1.18 0.68 1.33 -0.01 0.00 0.00 175.02 175.78 1h4x n VAL 8 N 6.42 0.00 -3.88 -6.03 0.24 -0.54 -5.00 118.33 109.55 1h4x n VAL 8 Ca 0.11 -0.17 -0.01 0.00 -2.04 0.00 0.00 64.34 62.24 1h4x n VAL 8 Cb 0.48 1.03 0.01 0.00 -1.47 0.00 0.00 33.84 33.90 1h4x n VAL 8 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1h4x n THR 9 N -1.17 0.00 -1.58 3.34 5.66 -1.22 -5.02 114.28 114.28 1h4x n THR 9 Ca 0.03 -0.33 -0.51 0.00 -3.05 0.00 0.00 64.05 60.19 1h4x n THR 9 Cb 0.25 0.57 -0.06 0.00 -1.55 0.00 0.00 70.33 69.55 1h4x n THR 9 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1h4x n ARG 10 N -0.66 1.43 -1.31 1.09 3.00 -1.26 -1.33 116.66 117.61 1h4x n ARG 10 Ca 0.00 0.47 -0.11 0.00 -0.00 0.00 0.00 57.85 58.22 1h4x n ARG 10 Cb 0.48 -2.46 -0.05 0.00 0.00 0.00 0.00 32.46 30.43 1h4x n ARG 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1h4x n GLU 11 N 7.17 -1.32 -3.95 -0.14 1.02 -1.26 -4.93 120.64 117.22 1h4x n GLU 11 Ca 0.32 0.84 -0.35 0.00 -0.02 0.00 0.00 57.16 57.96 1h4x n GLU 11 Cb 0.23 -5.05 -0.14 0.00 -0.02 0.00 0.00 31.44 26.46 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 -2.11 3.01 -0.05 2.62 2.01 -0.45 -1.64 115.64 119.02 1h4x s THR 12 Ca 0.00 -0.81 0.03 0.00 0.31 0.00 0.00 61.69 61.22 1h4x s THR 12 Cb 0.00 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.04 1h4x s THR 12 CO 0.00 0.31 -0.13 0.68 -0.69 0.00 0.00 174.62 174.79 1h4x s VAL 13 N 1.38 3.17 -0.28 3.82 -7.23 -0.55 -1.46 120.40 119.26 1h4x s VAL 13 Ca 0.03 -0.68 -0.12 0.00 -1.81 0.00 0.00 61.98 59.40 1h4x s VAL 13 Cb -0.15 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 1h4x s VAL 13 CO -0.05 0.59 0.25 -0.69 -0.31 0.00 0.00 175.10 174.89 1h4x s VAL 14 N -0.72 5.27 -0.42 1.32 1.01 0.63 -1.17 120.40 126.32 1h4x s VAL 14 Ca 0.11 0.27 -0.16 0.00 0.00 0.00 0.00 61.98 62.21 1h4x s VAL 14 Cb -0.11 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.71 1h4x s VAL 14 CO 0.01 0.21 0.34 -0.63 0.00 0.00 0.00 175.10 175.02 1h4x s ILE 15 N 1.85 5.22 -0.38 2.22 1.01 0.40 -2.11 121.20 129.41 1h4x s ILE 15 Ca 0.09 -0.62 -0.19 0.00 0.00 0.00 0.00 60.65 59.94 1h4x s ILE 15 Cb -0.16 -3.97 0.01 0.00 0.01 0.00 0.00 42.46 38.35 1h4x s ILE 15 CO 0.11 -0.35 0.56 -0.13 0.00 0.00 0.00 174.94 175.13 1h4x s ARG 16 N 1.78 3.49 -0.30 2.79 0.52 -0.05 -0.75 118.95 126.43 1h4x s ARG 16 Ca 0.06 -0.23 -0.09 0.00 -0.52 0.00 0.00 55.73 54.95 1h4x s ARG 16 Cb -0.19 -3.86 -0.01 0.00 0.52 0.00 0.00 34.95 31.41 1h4x s ARG 16 CO 0.11 -0.78 0.14 -0.51 0.02 0.00 0.00 175.30 174.29 1h4x s LEU 17 N 2.54 4.04 0.09 2.53 1.43 -0.29 -1.37 118.68 127.65 1h4x s LEU 17 Ca 0.20 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 52.74 1h4x s LEU 17 Cb -0.15 -2.00 -0.00 0.00 0.03 0.00 0.00 46.19 44.07 1h4x s LEU 17 CO 0.15 -0.17 0.19 0.72 0.23 0.00 0.00 176.35 177.47 1h4x s PHE 18 N 1.62 0.15 0.00 0.29 -0.12 -0.77 -3.71 117.98 115.44 1h4x s PHE 18 Ca 0.05 -0.58 0.00 0.00 -0.05 0.00 0.00 56.93 56.35 1h4x s PHE 18 Cb -0.17 -0.06 0.00 0.00 -0.63 0.00 0.00 43.02 42.17 1h4x s PHE 18 CO 0.06 -0.55 0.00 0.41 -0.05 0.00 0.00 175.22 175.09 1h4x n GLY 19 N -0.06 2.82 3.77 1.99 0.00 0.18 -1.38 105.19 112.51 1h4x n GLY 19 Ca -0.15 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.18 1h4x n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1h4x s GLU 20 N 0.00 3.83 -0.32 1.61 -1.05 -1.26 -1.75 118.70 119.75 1h4x s GLU 20 Ca 0.00 -0.21 0.02 0.00 -0.15 0.00 0.00 54.97 54.63 1h4x s GLU 20 Cb 0.00 -3.28 0.08 0.00 -0.44 0.00 0.00 34.13 30.50 1h4x s GLU 20 CO 0.00 0.49 0.02 -1.17 0.95 0.00 0.00 175.26 175.55 1h4x s LEU 21 N -0.22 4.36 0.71 1.83 2.96 0.12 -1.05 118.68 127.40 1h4x s LEU 21 Ca 0.10 -1.82 0.01 0.00 -0.22 0.00 0.00 54.13 52.20 1h4x s LEU 21 Cb -0.12 -1.64 0.13 0.00 0.50 0.00 0.00 46.19 45.06 1h4x s LEU 21 CO 0.01 -0.33 0.98 1.51 -1.32 0.00 0.00 176.35 177.19 1h4x s ASP 22 N 1.13 4.38 0.58 3.68 1.47 -1.26 -1.08 116.67 125.56 1h4x s ASP 22 Ca 0.03 -0.51 0.34 0.00 1.18 0.00 0.00 52.55 53.59 1h4x s ASP 22 Cb -0.20 0.16 1.75 0.00 -0.34 0.00 0.00 42.92 44.29 1h4x s ASP 22 CO -0.06 -1.85 2.15 1.12 0.68 0.00 0.00 175.17 177.22 1h4x h HIS 23 N -0.46 0.00 -0.44 2.11 2.07 -1.98 -0.84 115.15 115.61 1h4x h HIS 23 Ca -0.34 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.10 1h4x h HIS 23 Cb 1.27 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.23 1h4x h HIS 23 CO -0.14 0.05 -0.01 0.45 -3.07 0.00 0.00 177.93 175.21 1h4x h HIS 24 N 0.00 0.86 -0.48 6.12 3.86 -1.99 -1.41 115.15 122.11 1h4x h HIS 24 Ca -0.00 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 1h4x h HIS 24 Cb 0.26 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1h4x h HIS 24 CO 0.00 0.84 0.26 0.00 0.86 0.00 0.00 177.93 179.89 1h4x h ALA 25 N 0.90 0.61 -0.65 2.45 0.00 -1.72 -1.62 119.26 119.23 1h4x h ALA 25 Ca 0.12 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.03 1h4x h ALA 25 Cb 0.51 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 1h4x h ALA 25 CO 0.02 0.14 0.30 0.28 0.00 0.00 0.00 179.25 179.99 1h4x h VAL 26 N 0.63 0.84 -0.35 0.00 2.07 -1.08 -1.79 116.25 116.57 1h4x h VAL 26 Ca 0.17 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1h4x h VAL 26 Cb 0.06 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1h4x h VAL 26 CO -0.03 0.10 -0.06 -0.08 0.02 0.00 0.00 177.57 177.52 1h4x h GLU 27 N 0.52 0.57 -0.44 1.57 4.57 -0.81 -0.33 114.58 120.23 1h4x h GLU 27 Ca 0.32 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1h4x h GLU 27 Cb 0.34 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 1h4x h GLU 27 CO -0.27 0.63 0.27 1.96 -1.18 0.00 0.00 179.01 180.43 1h4x h GLN 28 N 0.53 0.59 -0.34 1.92 4.20 -0.56 -1.90 115.11 119.56 1h4x h GLN 28 Ca 0.11 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1h4x h GLN 28 Cb 0.43 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1h4x h GLN 28 CO 0.02 0.42 0.05 0.82 -0.67 0.00 0.00 178.83 179.47 1h4x h ILE 29 N 0.58 1.24 -0.41 2.54 2.04 -0.96 -2.45 117.51 120.08 1h4x h ILE 29 Ca 0.16 -0.84 0.03 0.00 1.00 0.00 0.00 64.86 65.21 1h4x h ILE 29 Cb -0.02 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1h4x h ILE 29 CO -0.03 0.28 0.20 -0.09 0.00 0.00 0.00 178.15 178.51 1h4x h ARG 30 N 0.40 0.39 0.04 2.37 2.43 -0.90 -0.87 114.38 118.23 1h4x h ARG 30 Ca 0.10 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1h4x h ARG 30 Cb 0.36 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1h4x h ARG 30 CO 0.01 0.26 -0.05 0.00 -1.51 0.00 0.00 179.97 178.67 1h4x h ALA 31 N 1.22 -0.09 -0.26 2.80 0.00 -1.23 -1.17 119.26 120.53 1h4x h ALA 31 Ca 0.18 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1h4x h ALA 31 Cb 0.09 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1h4x h ALA 31 CO -0.13 -0.56 -0.10 0.87 0.00 0.00 0.00 179.25 179.32 1h4x h LYS 32 N -0.12 0.54 0.03 0.00 1.57 -1.16 -2.62 116.57 114.81 1h4x h LYS 32 Ca 0.01 -0.22 -0.27 0.00 -1.87 0.00 0.00 60.65 58.29 1h4x h LYS 32 Cb 0.12 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 32.43 1h4x h LYS 32 CO -0.03 0.77 -1.08 0.82 -0.57 0.00 0.00 179.45 179.37 1h4x h ILE 33 N 0.27 1.29 -0.74 1.86 1.08 -1.16 -1.32 117.51 118.81 1h4x h ILE 33 Ca 0.06 -2.32 -0.00 0.00 -0.39 0.00 0.00 64.86 62.21 1h4x h ILE 33 Cb 0.60 2.45 -0.04 0.00 -3.07 0.00 0.00 36.82 36.77 1h4x h ILE 33 CO 0.03 0.71 0.46 0.28 -0.69 0.00 0.00 178.15 178.95 1h4x h SER 34 N 0.35 0.87 -0.54 1.72 0.02 -1.28 -0.03 113.55 114.66 1h4x h SER 34 Ca -0.14 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1h4x h SER 34 Cb 1.73 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 64.03 1h4x h SER 34 CO 0.21 0.66 0.33 0.74 -1.14 0.00 0.00 176.83 177.63 1h4x h THR 35 N 1.00 1.16 -0.79 -2.27 2.02 -1.43 -1.76 112.91 110.84 1h4x h THR 35 Ca 0.27 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1h4x h THR 35 Cb -0.06 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 1h4x h THR 35 CO -0.05 0.17 0.42 0.00 0.37 0.00 0.00 175.52 176.43 1h4x h ALA 36 N 1.16 1.26 -0.10 6.16 0.00 -0.52 -0.33 119.26 126.89 1h4x h ALA 36 Ca 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1h4x h ALA 36 Cb -0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1h4x h ALA 36 CO -0.04 0.60 0.01 0.82 0.00 0.00 0.00 179.25 180.64 1h4x h ILE 37 N 1.10 1.24 -0.01 0.00 2.04 -0.67 0.05 117.51 121.26 1h4x h ILE 37 Ca 0.28 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 1h4x h ILE 37 Cb 0.04 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1h4x h ILE 37 CO -0.04 0.21 -0.21 -0.26 0.00 0.00 0.00 178.15 177.85 1h4x h PHE 38 N -0.10 0.01 0.00 1.37 0.04 -0.99 -2.00 116.94 115.27 1h4x h PHE 38 Ca 0.03 -0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.68 1h4x h PHE 38 Cb 0.33 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 1h4x h PHE 38 CO 0.03 0.22 -0.56 1.96 -0.60 0.00 0.00 178.31 179.36 1h4x h GLN 39 N 0.01 0.00 0.00 1.51 4.20 -0.92 -3.47 115.11 116.44 1h4x h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1h4x h GLN 39 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1h4x h GLN 39 CO 0.03 0.56 0.00 0.41 -0.67 0.00 0.00 178.83 179.15 1h4x n GLY 40 N 0.16 0.95 0.07 3.46 0.00 -0.72 -4.96 105.19 104.16 1h4x n GLY 40 Ca -0.01 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.63 1h4x n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h4x n ALA 41 N -0.80 2.42 -3.39 4.61 0.00 -0.08 -4.87 120.51 118.41 1h4x n ALA 41 Ca 0.00 -0.50 -0.24 0.00 0.00 0.00 0.00 53.44 52.70 1h4x n ALA 41 Cb 0.09 -0.86 -0.16 0.00 0.00 0.00 0.00 19.45 18.52 1h4x n ALA 41 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1h4x s VAL 42 N -3.26 1.04 0.00 0.00 1.01 -1.06 -4.40 120.40 113.73 1h4x s VAL 42 Ca -0.05 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1h4x s VAL 42 Cb 0.11 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1h4x s VAL 42 CO 0.84 0.33 0.00 0.35 0.00 0.00 0.00 175.10 176.62 1h4x n THR 43 N 3.72 0.00 -4.21 3.92 -2.24 -0.65 -4.39 114.28 110.43 1h4x n THR 43 Ca -0.22 -0.20 -0.25 0.00 -2.27 0.00 0.00 64.05 61.11 1h4x n THR 43 Cb 0.52 0.81 -0.17 0.00 -2.10 0.00 0.00 70.33 69.40 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 -0.65 1.03 -0.20 4.28 2.01 -0.87 0.62 115.64 121.86 1h4x s THR 44 Ca 0.00 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 61.66 1h4x s THR 44 Cb 0.00 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.54 1h4x s THR 44 CO 0.00 0.35 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.47 1h4x s ILE 45 N 1.21 2.10 -0.45 1.82 1.01 0.18 -1.48 121.20 125.59 1h4x s ILE 45 Ca -0.05 -1.06 -0.19 0.00 0.00 0.00 0.00 60.65 59.36 1h4x s ILE 45 Cb -0.14 -1.95 0.03 0.00 0.01 0.00 0.00 42.46 40.42 1h4x s ILE 45 CO -0.03 0.44 0.57 -0.63 0.00 0.00 0.00 174.94 175.29 1h4x s ILE 46 N 1.26 4.93 -0.58 2.92 1.01 -0.32 -0.71 121.20 129.70 1h4x s ILE 46 Ca 0.03 -0.22 -0.28 0.00 0.00 0.00 0.00 60.65 60.17 1h4x s ILE 46 Cb -0.14 -4.18 0.03 0.00 0.01 0.00 0.00 42.46 38.18 1h4x s ILE 46 CO -0.11 -0.60 1.19 0.26 0.00 0.00 0.00 174.94 175.67 1h4x s TRP 47 N 2.54 2.61 -0.39 3.97 0.52 0.01 -0.45 118.94 127.75 1h4x s TRP 47 Ca 0.17 0.42 -0.14 0.00 0.02 0.00 0.00 56.10 56.56 1h4x s TRP 47 Cb -0.17 -4.51 0.01 0.00 -1.15 0.00 0.00 33.47 27.65 1h4x s TRP 47 CO 0.15 -1.58 0.28 1.21 0.02 0.00 0.00 176.95 177.03 1h4x s ASN 48 N 2.95 6.07 0.00 2.95 3.84 0.07 0.36 114.94 131.17 1h4x s ASN 48 Ca 0.43 -0.76 0.19 0.00 0.21 0.00 0.00 52.86 52.93 1h4x s ASN 48 Cb -0.07 -2.14 0.58 0.00 -0.55 0.00 0.00 41.25 39.06 1h4x s ASN 48 CO 0.25 -0.38 1.45 0.49 -2.79 0.00 0.00 177.10 176.13 1h4x n PHE 49 N 5.13 0.38 -1.67 0.43 3.72 -0.63 -1.13 117.46 123.69 1h4x n PHE 49 Ca -0.12 -0.19 -0.50 0.00 -0.05 0.00 0.00 57.45 56.59 1h4x n PHE 49 Cb 0.48 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.96 1h4x n PHE 49 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1h4x n GLU 50 N 0.72 1.75 -1.06 -1.08 0.28 -1.22 -1.59 120.64 118.45 1h4x n GLU 50 Ca 0.17 0.64 -0.02 0.00 -0.16 0.00 0.00 57.16 57.78 1h4x n GLU 50 Cb 0.41 -2.39 -0.01 0.00 1.43 0.00 0.00 31.44 30.88 1h4x n GLU 50 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1h4x n ARG 51 N 4.65 -0.53 -2.04 3.44 1.74 -1.26 -4.52 116.66 118.14 1h4x n ARG 51 Ca 0.21 0.32 -0.43 0.00 -0.77 0.00 0.00 57.85 57.19 1h4x n ARG 51 Cb 0.24 -3.86 -0.03 0.00 -1.02 0.00 0.00 32.46 27.79 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 -0.44 3.95 0.00 0.55 2.96 -0.62 -0.64 118.68 124.44 1h4x s LEU 52 Ca 0.00 1.78 0.17 0.00 -0.22 0.00 0.00 54.13 55.87 1h4x s LEU 52 Cb 0.00 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 43.05 1h4x s LEU 52 CO 0.00 -1.25 0.80 -1.54 -1.32 0.00 0.00 176.35 173.04 1h4x n SER 53 N 8.46 1.20 0.00 3.68 3.41 -0.72 -4.83 113.62 124.82 1h4x n SER 53 Ca 0.19 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 1h4x n SER 53 Cb 0.45 0.78 0.00 0.00 -0.26 0.00 0.00 64.21 65.17 1h4x n SER 53 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1h4x n PHE 54 N -0.85 0.00 -4.51 7.33 7.35 -1.08 -4.94 117.46 120.77 1h4x n PHE 54 Ca 0.05 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.52 1h4x n PHE 54 Cb 0.31 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 39.98 1h4x n PHE 54 CO 0.00 0.00 0.00 1.41 -0.76 0.00 0.00 176.76 177.41 1h4x s MET 55 N -0.99 1.21 0.00 -4.13 -2.45 -1.26 0.16 119.30 111.84 1h4x s MET 55 Ca 0.00 -0.39 0.00 0.00 -1.25 0.00 0.00 55.69 54.05 1h4x s MET 55 Cb 0.00 -1.09 0.00 0.00 1.25 0.00 0.00 34.83 34.99 1h4x s MET 55 CO 0.00 0.14 0.00 -3.47 1.05 0.00 0.00 175.02 172.74 1h4x n ASP 56 N 3.28 0.00 0.00 1.11 -0.08 -0.24 -4.86 116.55 115.77 1h4x n ASP 56 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 1h4x n ASP 56 Cb 0.54 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 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 0.19 1.67 3.41 -1.26 -4.34 113.62 113.29 1h4x n SER 58 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.67 1h4x n SER 58 Cb 0.00 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 64.50 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 0.14 0.80 5.00 0.00 -1.93 -1.69 103.07 105.39 1h4x h GLY 59 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1h4x h GLY 59 CO 0.00 0.06 -0.06 -2.08 0.00 0.00 0.00 176.54 174.46 1h4x h VAL 60 N 0.13 0.99 -0.07 4.60 2.07 -1.97 -2.47 116.25 119.53 1h4x h VAL 60 Ca 0.03 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 1h4x h VAL 60 Cb 0.07 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1h4x h VAL 60 CO -0.00 0.10 -0.25 1.23 0.02 0.00 0.00 177.57 178.67 1h4x h GLY 61 N -0.36 0.13 0.48 2.17 0.00 -1.92 -0.53 103.07 103.05 1h4x h GLY 61 Ca -0.02 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.24 1h4x h GLY 61 CO 0.03 0.09 -0.28 -2.00 0.00 0.00 0.00 176.54 174.37 1h4x h LEU 62 N 0.11 -0.81 0.03 3.11 5.85 -1.12 0.67 115.31 123.16 1h4x h LEU 62 Ca 0.02 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1h4x h LEU 62 Cb 0.52 0.31 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1h4x h LEU 62 CO 0.04 -0.37 -0.01 0.58 -0.34 0.00 0.00 178.44 178.34 1h4x h VAL 63 N -0.48 1.28 -0.50 1.05 2.07 -1.03 -2.65 116.25 115.98 1h4x h VAL 63 Ca 0.04 -0.98 -0.06 0.00 0.82 0.00 0.00 66.70 66.52 1h4x h VAL 63 Cb 0.52 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1h4x h VAL 63 CO -0.18 0.25 0.08 -0.07 0.02 0.00 0.00 177.57 177.67 1h4x h LEU 64 N -0.47 0.74 -0.44 2.57 3.38 -1.10 -0.95 115.31 119.04 1h4x h LEU 64 Ca -0.00 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1h4x h LEU 64 Cb 0.44 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1h4x h LEU 64 CO 0.01 0.76 0.16 1.23 0.09 0.00 0.00 178.44 180.68 1h4x h GLY 65 N 0.95 0.72 1.75 0.83 0.00 -0.92 -2.18 103.07 104.23 1h4x h GLY 65 Ca 0.16 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 1h4x h GLY 65 CO 0.01 0.38 -0.28 3.21 0.00 0.00 0.00 176.54 179.86 1h4x h ARG 66 N 0.57 0.30 -0.60 4.80 -0.00 -1.09 -1.43 114.38 116.93 1h4x h ARG 66 Ca 0.15 -0.11 -0.06 0.00 -0.50 0.00 0.00 59.98 59.46 1h4x h ARG 66 Cb 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 29.97 30.15 1h4x h ARG 66 CO -0.01 0.56 0.12 0.52 0.00 0.00 0.00 179.97 181.16 1h4x h MET 67 N 0.26 0.94 -0.40 0.04 2.86 -0.84 0.44 114.93 118.25 1h4x h MET 67 Ca 0.04 -0.22 -0.12 0.00 -2.06 0.00 0.00 59.70 57.34 1h4x h MET 67 Cb 0.64 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1h4x h MET 67 CO 0.05 0.85 -0.22 0.00 1.06 0.00 0.00 176.91 178.66 1h4x h ARG 68 N 0.90 0.85 -0.75 1.72 3.08 -1.07 -0.63 114.38 118.48 1h4x h ARG 68 Ca 0.19 -0.38 0.02 0.00 0.07 0.00 0.00 59.98 59.87 1h4x h ARG 68 Cb 0.35 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 1h4x h ARG 68 CO 0.00 1.02 0.49 0.93 -1.07 0.00 0.00 179.97 181.34 1h4x h GLU 69 N 0.66 0.95 -0.30 0.04 5.08 -0.91 -2.36 114.58 117.75 1h4x h GLU 69 Ca 0.09 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 1h4x h GLU 69 Cb 0.78 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1h4x h GLU 69 CO 0.06 0.63 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.27 1h4x h LEU 70 N 0.98 0.71 -1.09 1.33 3.38 -0.77 -2.91 115.31 116.93 1h4x h LEU 70 Ca 0.29 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 58.02 1h4x h LEU 70 Cb -0.06 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 1h4x h LEU 70 CO -0.08 1.00 0.61 -0.08 0.09 0.00 0.00 178.44 179.98 1h4x h GLU 71 N 0.56 1.04 0.00 1.13 4.57 -0.77 0.10 114.58 121.22 1h4x h GLU 71 Ca 0.06 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1h4x h GLU 71 Cb 0.88 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1h4x h GLU 71 CO 0.08 0.69 -0.05 0.00 -1.18 0.00 0.00 179.01 178.54 1h4x h ALA 72 N 1.49 1.11 -0.38 2.92 0.00 -1.23 -1.74 119.26 121.44 1h4x h ALA 72 Ca 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1h4x h ALA 72 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1h4x h ALA 72 CO -0.16 0.07 0.00 1.33 0.00 0.00 0.00 179.25 180.48 1h4x n VAL 73 N -3.32 1.85 -3.29 0.00 0.24 -0.64 -4.96 118.33 108.22 1h4x n VAL 73 Ca -0.01 -1.46 -0.23 0.00 -2.04 0.00 0.00 64.34 60.59 1h4x n VAL 73 Cb 0.22 0.04 0.05 0.00 -1.47 0.00 0.00 33.84 32.68 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 0.17 -1.12 -1.55 2.33 0.00 -0.66 -5.00 120.51 114.68 1h4x n ALA 74 Ca 0.20 0.34 -0.17 0.00 0.00 0.00 0.00 53.44 53.80 1h4x n ALA 74 Cb 0.77 -4.60 0.18 0.00 0.00 0.00 0.00 19.45 15.80 1h4x n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h4x n GLY 75 N -1.74 -1.81 2.87 0.00 0.00 0.26 -5.01 105.19 99.77 1h4x n GLY 75 Ca -0.06 -1.64 -0.20 0.00 0.00 0.00 0.00 46.02 44.12 1h4x n GLY 75 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1h4x s ARG 76 N -5.29 0.79 -0.15 1.61 3.52 0.20 -4.77 118.95 114.86 1h4x s ARG 76 Ca 0.61 -0.07 -0.01 0.00 -0.13 0.00 0.00 55.73 56.13 1h4x s ARG 76 Cb -0.03 -0.85 -0.01 0.00 -1.56 0.00 0.00 34.95 32.50 1h4x s ARG 76 CO 0.44 -0.12 -0.11 0.99 -0.81 0.00 0.00 175.30 175.69 1h4x s THR 77 N 1.08 3.10 -0.16 4.11 2.01 -1.26 -0.64 115.64 123.87 1h4x s THR 77 Ca -0.09 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.28 1h4x s THR 77 Cb -0.14 -2.33 -0.01 0.00 0.01 0.00 0.00 72.50 70.04 1h4x s THR 77 CO -0.01 0.50 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.67 1h4x s ILE 78 N 0.64 2.92 -0.76 1.82 1.01 0.11 -4.93 121.20 122.01 1h4x s ILE 78 Ca -0.06 -0.68 -0.16 0.00 0.00 0.00 0.00 60.65 59.74 1h4x s ILE 78 Cb -0.15 -2.25 0.16 0.00 0.01 0.00 0.00 42.46 40.23 1h4x s ILE 78 CO 0.03 0.50 0.79 -0.76 0.00 0.00 0.00 174.94 175.50 1h4x s LEU 79 N 0.85 6.04 -0.10 2.97 1.43 -0.18 -0.81 118.68 128.88 1h4x s LEU 79 Ca -0.04 -2.16 -0.17 0.00 -1.03 0.00 0.00 54.13 50.73 1h4x s LEU 79 Cb -0.15 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 1h4x s LEU 79 CO 0.00 -0.83 0.43 -0.22 0.23 0.00 0.00 176.35 175.96 1h4x s LEU 80 N 1.43 4.32 -1.28 1.79 2.96 0.16 -1.48 118.68 126.57 1h4x s LEU 80 Ca 0.18 0.80 -0.07 0.00 -0.22 0.00 0.00 54.13 54.82 1h4x s LEU 80 Cb -0.15 -2.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.91 1h4x s LEU 80 CO -0.04 0.09 0.64 0.59 -1.32 0.00 0.00 176.35 176.31 1h4x n ASN 81 N 3.23 -2.38 -4.75 3.68 3.02 -0.24 -1.61 115.26 116.20 1h4x n ASN 81 Ca -0.09 -0.94 -0.41 0.00 -0.03 0.00 0.00 54.58 53.10 1h4x n ASN 81 Cb 0.52 -3.53 0.00 0.00 -0.61 0.00 0.00 39.78 36.16 1h4x n ASN 81 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1h4x n PRO 82 N -4.25 2.46 -1.10 3.52 -0.04 -1.26 -3.39 135.00 130.93 1h4x n PRO 82 Ca -0.23 0.86 -0.30 0.00 -0.04 0.00 0.00 63.50 63.80 1h4x n PRO 82 Cb 0.65 -2.58 0.16 0.00 -0.04 0.00 0.00 33.50 31.68 1h4x n PRO 82 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1h4x s SER 83 N -0.25 3.10 0.29 3.54 1.04 -1.26 -4.68 113.70 115.48 1h4x s SER 83 Ca 0.55 1.51 -0.02 0.00 0.48 0.00 0.00 55.95 58.48 1h4x s SER 83 Cb -0.49 -2.18 0.45 0.00 0.10 0.00 0.00 66.02 63.90 1h4x s SER 83 CO 0.62 -2.88 1.94 -0.65 0.98 0.00 0.00 173.24 173.26 1h4x h PRO 84 N -1.72 1.09 0.02 4.02 0.11 -1.93 0.12 132.00 133.71 1h4x h PRO 84 Ca -0.51 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.54 1h4x h PRO 84 Cb 1.29 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1h4x h PRO 84 CO 0.53 0.72 -0.01 1.15 -0.21 0.00 0.00 178.00 180.18 1h4x h THR 85 N 1.12 1.09 -0.31 -1.15 2.02 -1.98 -2.80 112.91 110.91 1h4x h THR 85 Ca 0.34 -0.34 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 1h4x h THR 85 Cb -0.02 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1h4x h THR 85 CO -0.10 0.09 -0.32 0.24 0.37 0.00 0.00 175.52 175.80 1h4x h MET 86 N -0.17 0.67 -0.55 6.66 2.86 -1.80 -2.58 114.93 120.01 1h4x h MET 86 Ca -0.00 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.32 1h4x h MET 86 Cb 0.16 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1h4x h MET 86 CO 0.00 0.90 0.28 -0.09 1.06 0.00 0.00 176.91 179.06 1h4x h ARG 87 N 0.57 0.76 -0.52 1.72 2.43 -0.70 0.20 114.38 118.85 1h4x h ARG 87 Ca 0.06 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1h4x h ARG 87 Cb 0.82 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 1h4x h ARG 87 CO 0.07 0.58 -0.04 0.87 -1.51 0.00 0.00 179.97 179.93 1h4x h LYS 88 N 0.77 0.94 -0.36 0.20 1.57 -1.26 -0.05 116.57 118.39 1h4x h LYS 88 Ca 0.19 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1h4x h LYS 88 Cb 0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1h4x h LYS 88 CO -0.03 0.98 0.22 0.28 -0.57 0.00 0.00 179.45 180.33 1h4x h VAL 89 N 0.80 1.12 -0.41 0.50 2.07 -1.02 -1.30 116.25 118.00 1h4x h VAL 89 Ca 0.14 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1h4x h VAL 89 Cb 0.58 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1h4x h VAL 89 CO 0.03 0.12 0.08 -0.26 0.02 0.00 0.00 177.57 177.56 1h4x h PHE 90 N 0.46 0.71 -0.75 1.57 0.05 -0.78 -2.68 116.94 115.52 1h4x h PHE 90 Ca 0.13 -0.10 -0.04 0.00 3.82 0.00 0.00 57.97 61.78 1h4x h PHE 90 Cb 0.00 -0.20 -0.03 0.00 2.00 0.00 0.00 35.95 37.72 1h4x h PHE 90 CO -0.04 0.69 0.32 0.37 -0.18 0.00 0.00 178.31 179.47 1h4x h GLN 91 N 0.53 1.11 -0.93 1.51 -0.00 -0.90 0.53 115.11 116.95 1h4x h GLN 91 Ca 0.13 -0.19 0.04 0.00 -0.00 0.00 0.00 58.65 58.63 1h4x h GLN 91 Cb 0.36 -0.19 -0.06 0.00 0.00 0.00 0.00 27.48 27.59 1h4x h GLN 91 CO 0.01 0.89 0.61 0.35 0.00 0.00 0.00 178.83 180.69 1h4x h PHE 92 N 1.07 1.13 0.00 3.99 3.04 -1.01 -1.64 116.94 123.52 1h4x h PHE 92 Ca 0.25 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.23 1h4x h PHE 92 Cb 0.18 -0.37 0.00 0.00 2.56 0.00 0.00 35.95 38.32 1h4x h PHE 92 CO 0.02 0.64 0.00 1.03 -2.02 0.00 0.00 178.31 177.97 1h4x h SER 93 N 1.15 0.00 0.00 0.41 0.87 -1.09 -3.47 113.55 111.42 1h4x h SER 93 Ca 0.38 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 1h4x h SER 93 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1h4x h SER 93 CO -0.12 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.79 1h4x n GLY 94 N 0.90 1.32 1.39 5.77 0.00 -0.42 -4.97 105.19 109.18 1h4x n GLY 94 Ca 0.03 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 4.04 -0.33 0.99 4.77 0.04 -4.49 117.00 122.03 1h4x n LEU 95 Ca 0.00 -2.05 0.11 0.00 -0.03 0.00 0.00 56.01 54.04 1h4x n LEU 95 Cb 0.09 -0.59 0.29 0.00 -2.33 0.00 0.00 43.42 40.88 1h4x n LEU 95 CO 0.00 0.53 1.15 1.23 -1.33 0.00 0.00 177.39 178.97 1h4x h GLY 96 N 4.41 1.64 2.00 -0.72 0.00 -1.88 0.81 103.07 109.33 1h4x h GLY 96 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1h4x h GLY 96 CO 0.30 -0.07 0.00 -1.05 0.00 0.00 0.00 176.54 175.71 1h4x n PRO 97 N -4.82 0.04 0.00 4.80 -0.02 -1.26 -1.52 135.00 132.21 1h4x n PRO 97 Ca 0.21 0.38 0.10 0.00 -2.02 0.00 0.00 63.50 62.17 1h4x n PRO 97 Cb 0.53 -1.59 -0.04 0.00 -0.02 0.00 0.00 33.50 32.38 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 -1.67 0.00 -3.40 6.00 8.01 0.27 -4.93 117.44 121.72 1h4x n TRP 98 Ca 0.02 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.83 1h4x n TRP 98 Cb 0.11 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.35 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 -2.48 4.05 -0.08 -0.99 -1.94 -0.58 -1.01 119.30 116.27 1h4x s MET 99 Ca 0.14 0.56 -0.15 0.00 -1.71 0.00 0.00 55.69 54.53 1h4x s MET 99 Cb 0.16 -3.22 0.03 0.00 2.01 0.00 0.00 34.83 33.81 1h4x s MET 99 CO 0.61 0.66 0.37 0.00 -0.01 0.00 0.00 175.02 176.66 1h4x s MET 100 N -1.12 0.59 -0.37 2.03 0.23 -0.55 -4.96 119.30 115.15 1h4x s MET 100 Ca 0.26 0.19 -0.11 0.00 -1.03 0.00 0.00 55.69 55.01 1h4x s MET 100 Cb -0.18 0.27 0.03 0.00 -1.53 0.00 0.00 34.83 33.42 1h4x s MET 100 CO 0.16 -0.13 0.20 -0.51 -2.03 0.00 0.00 175.02 172.71 1h4x s ASP 101 N -0.57 5.69 0.30 -1.18 1.01 -1.26 -1.08 116.67 119.58 1h4x s ASP 101 Ca -0.07 -0.99 -0.19 0.00 0.71 0.00 0.00 52.55 52.02 1h4x s ASP 101 Cb -0.04 -2.01 0.06 0.00 1.01 0.00 0.00 42.92 41.94 1h4x s ASP 101 CO 0.03 -0.37 0.85 0.00 0.21 0.00 0.00 175.17 175.89 1h4x s ALA 102 N 1.54 -1.12 0.67 5.23 0.00 -1.26 -4.99 121.76 121.83 1h4x s ALA 102 Ca 0.02 -0.49 -0.15 0.00 0.00 0.00 0.00 51.96 51.34 1h4x s ALA 102 Cb -0.19 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.65 1h4x s ALA 102 CO 0.06 -1.02 1.12 0.95 0.00 0.00 0.00 175.76 176.88 1h4x s THR 103 N -2.64 3.10 0.25 0.00 -4.23 -1.26 -4.75 115.64 106.11 1h4x s THR 103 Ca 0.16 0.52 -0.04 0.00 -1.18 0.00 0.00 61.69 61.14 1h4x s THR 103 Cb -0.04 -3.04 0.23 0.00 1.34 0.00 0.00 72.50 70.99 1h4x s THR 103 CO 0.08 -0.31 1.87 -0.08 -0.54 0.00 0.00 174.62 175.64 1h4x h GLU 104 N 0.00 1.03 -0.80 3.99 4.81 -2.01 -1.93 114.58 119.67 1h4x h GLU 104 Ca -0.47 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 58.66 1h4x h GLU 104 Cb 1.25 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.37 1h4x h GLU 104 CO 0.53 0.68 0.36 1.49 -0.73 0.00 0.00 179.01 181.34 1h4x h GLU 105 N 1.06 1.17 -0.64 1.92 4.81 -1.99 0.18 114.58 121.09 1h4x h GLU 105 Ca 0.39 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1h4x h GLU 105 Cb 0.15 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1h4x h GLU 105 CO -0.17 0.92 0.30 0.93 -0.73 0.00 0.00 179.01 180.26 1h4x h GLU 106 N 1.14 0.92 -0.39 1.92 5.08 -1.84 -0.33 114.58 121.09 1h4x h GLU 106 Ca 0.27 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1h4x h GLU 106 Cb 0.16 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1h4x h GLU 106 CO -0.03 0.74 0.16 0.00 -1.00 0.00 0.00 179.01 178.89 1h4x h ALA 107 N 1.13 0.51 -0.60 3.43 0.00 -0.79 -1.71 119.26 121.22 1h4x h ALA 107 Ca 0.22 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1h4x h ALA 107 Cb 0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1h4x h ALA 107 CO -0.03 0.11 0.22 0.82 0.00 0.00 0.00 179.25 180.37 1h4x h ILE 108 N 0.49 1.23 -0.81 0.00 2.04 -0.81 -2.56 117.51 117.10 1h4x h ILE 108 Ca 0.13 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1h4x h ILE 108 Cb 0.18 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 1h4x h ILE 108 CO -0.01 0.29 0.48 0.44 0.00 0.00 0.00 178.15 179.35 1h4x h ASP 109 N 0.84 0.97 -0.22 1.72 3.32 -0.93 -1.59 116.42 120.53 1h4x h ASP 109 Ca 0.20 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 1h4x h ASP 109 Cb 0.23 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1h4x h ASP 109 CO -0.01 0.75 -0.11 -0.09 -1.72 0.00 0.00 179.24 178.06 1h4x h ARG 110 N 1.11 0.61 -0.43 3.56 2.43 -0.93 -2.79 114.38 117.95 1h4x h ARG 110 Ca 0.29 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1h4x h ARG 110 Cb -0.04 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1h4x h ARG 110 CO -0.05 0.70 0.22 0.28 -1.51 0.00 0.00 179.97 179.61 1h4x h VAL 111 N 0.56 1.17 0.00 0.20 2.07 -1.00 -3.52 116.25 115.74 1h4x h VAL 111 Ca 0.10 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1h4x h VAL 111 Cb 0.51 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1h4x h VAL 111 CO 0.03 0.19 0.00 0.54 0.02 0.00 0.00 177.57 178.35