#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4z s PHE 3 N 0.00 -0.43 0.02 0.00 -0.71 -1.26 -1.91 117.98 113.69 1h4z s PHE 3 Ca 0.00 0.25 -0.06 0.00 -1.04 0.00 0.00 56.93 56.08 1h4z s PHE 3 Cb 0.00 0.55 -0.01 0.00 -1.21 0.00 0.00 43.02 42.36 1h4z s PHE 3 CO 0.00 -0.71 0.11 -0.65 -1.34 0.00 0.00 175.22 172.63 1h4z s GLN 4 N -3.44 0.53 -0.02 1.99 -0.21 -0.79 -4.97 119.66 112.74 1h4z s GLN 4 Ca 0.03 -0.58 0.05 0.00 0.02 0.00 0.00 55.36 54.89 1h4z s GLN 4 Cb -0.01 0.21 -0.01 0.00 1.00 0.00 0.00 33.01 34.20 1h4z s GLN 4 CO -0.10 -0.13 -0.18 -0.51 -2.12 0.00 0.00 175.29 172.25 1h4z s LEU 5 N -1.75 2.00 -0.29 2.90 1.43 -1.26 -1.19 118.68 120.53 1h4z s LEU 5 Ca -0.10 -0.34 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 1h4z s LEU 5 Cb -0.05 -0.95 0.18 0.00 0.03 0.00 0.00 46.19 45.40 1h4z s LEU 5 CO -0.01 0.20 0.49 -0.70 0.23 0.00 0.00 176.35 176.56 1h4z s GLU 6 N -0.29 0.48 -0.45 1.70 2.12 -0.63 -4.97 118.70 116.64 1h4z s GLU 6 Ca 0.04 0.34 -0.42 0.00 0.36 0.00 0.00 54.97 55.28 1h4z s GLU 6 Cb -0.08 -0.06 -0.18 0.00 0.26 0.00 0.00 34.13 34.06 1h4z s GLU 6 CO 0.00 -1.01 1.53 -0.12 -0.54 0.00 0.00 175.26 175.12 1h4z n MET 7 N 5.38 0.00 0.00 4.30 0.00 -1.26 -3.46 117.12 122.08 1h4z n MET 7 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.72 1h4z n MET 7 Cb 0.51 -1.36 0.00 0.00 0.00 0.00 0.00 33.22 32.37 1h4z n MET 7 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 1h4z n VAL 8 N 3.98 0.31 0.00 1.12 0.24 -0.09 -4.95 118.33 118.95 1h4z n VAL 8 Ca 0.32 -0.55 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 1h4z n VAL 8 Cb -0.05 0.97 0.00 0.00 -1.47 0.00 0.00 33.84 33.29 1h4z n VAL 8 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1h4z n THR 9 N -0.16 0.00 0.00 3.34 -1.04 -1.19 -4.97 114.28 110.26 1h4z n THR 9 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1h4z n THR 9 Cb 0.15 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 1h4z n THR 9 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1h4z n ARG 10 N -0.15 0.00 -1.03 -2.82 0.63 -1.26 0.48 116.66 112.51 1h4z n ARG 10 Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 1h4z n ARG 10 Cb 0.00 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.91 1h4z n ARG 10 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1h4z n GLU 11 N 0.00 -1.44 -4.60 -0.14 1.02 -1.26 -4.93 120.64 109.29 1h4z n GLU 11 Ca 0.00 0.41 -0.33 0.00 -0.02 0.00 0.00 57.16 57.22 1h4z n GLU 11 Cb 0.00 -4.51 -0.13 0.00 -0.02 0.00 0.00 31.44 26.78 1h4z n GLU 11 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1h4z s THR 12 N -1.35 3.49 -0.05 2.62 2.01 1.75 -1.36 115.64 122.75 1h4z s THR 12 Ca 0.00 -0.51 0.06 0.00 0.31 0.00 0.00 61.69 61.55 1h4z s THR 12 Cb 0.00 -2.49 -0.01 0.00 0.01 0.00 0.00 72.50 70.01 1h4z s THR 12 CO 0.00 0.52 -0.23 0.54 -0.69 0.00 0.00 174.62 174.76 1h4z s VAL 13 N 0.24 1.89 -0.23 3.82 0.11 0.00 -0.91 120.40 125.32 1h4z s VAL 13 Ca -0.06 -0.98 -0.09 0.00 -2.93 0.00 0.00 61.98 57.92 1h4z s VAL 13 Cb -0.15 -1.60 -0.04 0.00 -1.53 0.00 0.00 36.38 33.06 1h4z s VAL 13 CO 0.04 0.53 0.12 -0.69 -3.33 0.00 0.00 175.10 171.77 1h4z s VAL 14 N -0.16 5.04 -0.46 2.04 1.01 -1.22 -1.53 120.40 125.12 1h4z s VAL 14 Ca -0.02 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.92 1h4z s VAL 14 Cb -0.13 -3.34 0.10 0.00 0.00 0.00 0.00 36.38 33.02 1h4z s VAL 14 CO 0.03 0.37 0.34 -0.63 0.00 0.00 0.00 175.10 175.21 1h4z s ILE 15 N 0.99 4.48 -0.11 2.22 1.01 -0.55 -1.61 121.20 127.63 1h4z s ILE 15 Ca 0.06 -1.53 -0.25 0.00 0.00 0.00 0.00 60.65 58.93 1h4z s ILE 15 Cb -0.14 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1h4z s ILE 15 CO 0.04 -0.67 0.80 -0.13 0.00 0.00 0.00 174.94 174.97 1h4z s ARG 16 N 1.45 4.39 -0.09 2.79 0.52 -0.33 -0.92 118.95 126.76 1h4z s ARG 16 Ca 0.04 1.02 -0.02 0.00 -0.52 0.00 0.00 55.73 56.25 1h4z s ARG 16 Cb -0.25 -3.51 -0.03 0.00 0.52 0.00 0.00 34.95 31.67 1h4z s ARG 16 CO 0.02 -0.14 -0.01 -0.51 0.02 0.00 0.00 175.30 174.68 1h4z s LEU 17 N 1.47 3.49 -0.15 2.53 1.43 -0.64 -1.88 118.68 124.93 1h4z s LEU 17 Ca 0.40 0.09 -0.07 0.00 -1.03 0.00 0.00 54.13 53.52 1h4z s LEU 17 Cb -0.18 -1.80 0.06 0.00 0.03 0.00 0.00 46.19 44.31 1h4z s LEU 17 CO 0.17 0.35 0.33 0.12 0.23 0.00 0.00 176.35 177.55 1h4z s PHE 18 N -0.71 -0.51 0.00 0.29 2.19 -0.80 -3.57 117.98 114.86 1h4z s PHE 18 Ca 0.11 1.11 0.00 0.00 0.33 0.00 0.00 56.93 58.48 1h4z s PHE 18 Cb -0.12 0.15 0.00 0.00 -1.31 0.00 0.00 43.02 41.75 1h4z s PHE 18 CO 0.02 -0.33 0.00 0.41 1.83 0.00 0.00 175.22 177.15 1h4z n GLY 19 N 4.57 0.35 3.56 13.12 0.00 -0.33 -0.75 105.19 125.71 1h4z n GLY 19 Ca -0.19 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 1h4z n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h4z s GLU 20 N 0.00 3.85 -0.42 1.61 2.02 -1.26 -0.24 118.70 124.25 1h4z s GLU 20 Ca 0.00 -0.40 -0.13 0.00 0.02 0.00 0.00 54.97 54.46 1h4z s GLU 20 Cb 0.00 -3.27 0.04 0.00 0.10 0.00 0.00 34.13 31.01 1h4z s GLU 20 CO 0.00 0.08 0.30 -1.17 0.02 0.00 0.00 175.26 174.49 1h4z s LEU 21 N 0.90 5.18 0.69 1.80 2.96 -0.20 -2.67 118.68 127.34 1h4z s LEU 21 Ca 0.04 -1.13 -0.11 0.00 -0.22 0.00 0.00 54.13 52.71 1h4z s LEU 21 Cb -0.14 -2.11 0.01 0.00 0.50 0.00 0.00 46.19 44.45 1h4z s LEU 21 CO 0.03 -0.50 1.06 1.51 -1.32 0.00 0.00 176.35 177.12 1h4z s ASP 22 N 1.98 5.45 0.49 3.68 1.47 -1.26 -3.70 116.67 124.77 1h4z s ASP 22 Ca 0.04 1.51 0.22 0.00 1.18 0.00 0.00 52.55 55.50 1h4z s ASP 22 Cb -0.21 -2.40 1.27 0.00 -0.34 0.00 0.00 42.92 41.24 1h4z s ASP 22 CO 0.07 -1.39 1.96 -0.74 0.68 0.00 0.00 175.17 175.75 1h4z h HIS 23 N -0.68 0.19 -0.14 2.11 -0.00 -1.97 0.11 115.15 114.77 1h4z h HIS 23 Ca -0.44 0.01 -0.12 0.00 -0.00 0.00 0.00 60.37 59.81 1h4z h HIS 23 Cb 1.22 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.55 1h4z h HIS 23 CO 0.60 0.07 -0.44 1.25 -0.00 0.00 0.00 177.93 179.42 1h4z h HIS 24 N 0.16 0.39 -0.10 5.26 -0.00 -2.00 -2.95 115.15 115.91 1h4z h HIS 24 Ca 0.31 -0.11 -0.23 0.00 -0.00 0.00 0.00 60.37 60.34 1h4z h HIS 24 Cb 1.01 -0.08 0.01 0.00 -0.00 0.00 0.00 27.41 28.34 1h4z h HIS 24 CO -0.00 0.72 -0.84 0.00 -0.00 0.00 0.00 177.93 177.80 1h4z h ALA 25 N 1.27 0.32 -0.97 5.26 0.00 -1.16 -2.47 119.26 121.52 1h4z h ALA 25 Ca 0.02 -0.63 0.15 0.00 0.00 0.00 0.00 54.91 54.45 1h4z h ALA 25 Cb 0.88 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.57 1h4z h ALA 25 CO 0.07 0.71 0.58 0.28 0.00 0.00 0.00 179.25 180.89 1h4z h VAL 26 N 0.45 0.80 -0.16 0.00 2.07 -1.34 0.27 116.25 118.35 1h4z h VAL 26 Ca -0.07 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1h4z h VAL 26 Cb 1.47 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1h4z h VAL 26 CO 0.17 0.15 0.06 -0.33 0.02 0.00 0.00 177.57 177.64 1h4z h GLU 27 N 0.83 0.23 -0.78 1.57 5.08 -1.30 0.10 114.58 120.31 1h4z h GLU 27 Ca 0.52 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.88 1h4z h GLU 27 Cb 0.68 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 1h4z h GLU 27 CO -0.33 0.32 0.49 1.96 -1.00 0.00 0.00 179.01 180.45 1h4z h GLN 28 N 0.09 0.91 -0.06 2.33 4.20 -0.70 -1.90 115.11 119.99 1h4z h GLN 28 Ca 0.05 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1h4z h GLN 28 Cb 0.18 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1h4z h GLN 28 CO -0.00 0.60 0.01 0.82 -0.67 0.00 0.00 178.83 179.59 1h4z h ILE 29 N 0.93 1.20 -0.20 2.54 2.04 -0.75 -2.72 117.51 120.55 1h4z h ILE 29 Ca 0.32 -0.60 0.06 0.00 1.00 0.00 0.00 64.86 65.64 1h4z h ILE 29 Cb 0.07 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1h4z h ILE 29 CO -0.13 0.17 0.15 -0.09 0.00 0.00 0.00 178.15 178.25 1h4z h ARG 30 N -0.13 0.00 0.21 2.37 2.43 -0.44 -2.33 114.38 116.49 1h4z h ARG 30 Ca 0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1h4z h ARG 30 Cb 0.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1h4z h ARG 30 CO 0.00 0.00 -0.10 0.00 -1.51 0.00 0.00 179.97 178.36 1h4z h ALA 31 N 1.88 -0.28 -0.34 2.80 0.00 -1.07 -2.93 119.26 119.32 1h4z h ALA 31 Ca 0.09 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1h4z h ALA 31 Cb 0.40 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1h4z h ALA 31 CO -0.00 -0.38 -0.27 0.87 0.00 0.00 0.00 179.25 179.47 1h4z h LYS 32 N -0.83 0.78 0.01 0.00 1.57 -1.15 -2.48 116.57 114.48 1h4z h LYS 32 Ca -0.03 -0.39 -0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1h4z h LYS 32 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1h4z h LYS 32 CO 0.05 1.01 -0.01 0.82 -0.57 0.00 0.00 179.45 180.75 1h4z h ILE 33 N 0.56 1.46 -0.86 1.86 1.08 -1.60 -1.63 117.51 118.39 1h4z h ILE 33 Ca 0.06 -1.47 0.13 0.00 -0.39 0.00 0.00 64.86 63.20 1h4z h ILE 33 Cb 0.83 2.44 -0.06 0.00 -3.07 0.00 0.00 36.82 36.96 1h4z h ILE 33 CO 0.07 0.38 0.56 0.28 -0.69 0.00 0.00 178.15 178.74 1h4z h SER 34 N -0.65 0.65 0.12 1.72 0.02 -1.58 0.19 113.55 114.02 1h4z h SER 34 Ca -0.00 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1h4z h SER 34 Cb 0.63 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1h4z h SER 34 CO 0.00 0.35 -0.06 0.74 -1.14 0.00 0.00 176.83 176.72 1h4z h THR 35 N 0.70 0.99 -0.96 -2.27 2.02 -1.38 -1.44 112.91 110.57 1h4z h THR 35 Ca 0.42 -0.45 0.12 0.00 0.77 0.00 0.00 66.41 67.27 1h4z h THR 35 Cb 0.63 1.28 -0.08 0.00 -1.74 0.00 0.00 68.15 68.24 1h4z h THR 35 CO -0.18 0.11 0.61 0.00 0.37 0.00 0.00 175.52 176.43 1h4z h ALA 36 N 0.48 1.61 0.00 6.16 0.00 -0.12 0.55 119.26 127.95 1h4z h ALA 36 Ca -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h4z h ALA 36 Cb 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1h4z h ALA 36 CO 0.03 0.16 -0.00 0.82 0.00 0.00 0.00 179.25 180.25 1h4z h ILE 37 N 0.91 1.36 0.00 0.00 2.04 -0.50 0.14 117.51 121.47 1h4z h ILE 37 Ca 0.47 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1h4z h ILE 37 Cb 0.51 2.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.68 1h4z h ILE 37 CO -0.23 0.28 -0.05 0.15 0.00 0.00 0.00 178.15 178.29 1h4z h PHE 38 N -0.46 0.00 0.00 1.37 3.57 -0.25 0.56 116.94 121.73 1h4z h PHE 38 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1h4z h PHE 38 Cb 0.46 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1h4z h PHE 38 CO 0.09 0.05 -0.33 1.04 -2.23 0.00 0.00 178.31 176.93 1h4z n GLN 39 N -4.04 0.13 -0.97 1.11 6.02 0.18 -4.93 117.38 114.89 1h4z n GLN 39 Ca -0.03 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1h4z n GLN 39 Cb 0.14 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 29.80 1h4z n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1h4z n GLY 40 N 1.42 0.47 0.17 1.08 0.00 0.19 -4.90 105.19 103.62 1h4z n GLY 40 Ca 0.05 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.74 1h4z n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h4z h ALA 41 N 0.00 0.89 -3.41 4.61 0.00 -1.00 -3.45 119.26 116.91 1h4z h ALA 41 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.50 1h4z h ALA 41 Cb 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 17.44 1h4z h ALA 41 CO 0.00 0.00 -0.77 0.08 0.00 0.00 0.00 179.25 178.56 1h4z s VAL 42 N -3.21 0.47 0.00 0.00 1.01 -0.98 -4.18 120.40 113.51 1h4z s VAL 42 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1h4z s VAL 42 Cb 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.93 1h4z s VAL 42 CO 0.68 0.23 0.59 0.35 0.00 0.00 0.00 175.10 176.94 1h4z n THR 43 N 4.31 0.33 -3.71 3.92 -2.24 -0.47 -4.35 114.28 112.08 1h4z n THR 43 Ca -0.21 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.07 1h4z n THR 43 Cb 0.51 0.98 -0.12 0.00 -2.10 0.00 0.00 70.33 69.60 1h4z n THR 43 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1h4z s THR 44 N -0.33 -0.11 -0.12 4.28 2.01 -0.92 -1.09 115.64 119.36 1h4z s THR 44 Ca 0.00 0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.17 1h4z s THR 44 Cb 0.00 -0.48 0.01 0.00 0.01 0.00 0.00 72.50 72.04 1h4z s THR 44 CO 0.00 0.06 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.16 1h4z s ILE 45 N 1.51 1.87 -0.26 1.82 1.01 -0.53 -0.82 121.20 125.79 1h4z s ILE 45 Ca -0.08 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.62 1h4z s ILE 45 Cb -0.10 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 1h4z s ILE 45 CO -0.10 0.51 0.11 -0.63 0.00 0.00 0.00 174.94 174.83 1h4z s ILE 46 N 0.81 4.59 -0.37 2.92 1.01 -0.58 -0.53 121.20 129.05 1h4z s ILE 46 Ca -0.08 -0.11 -0.16 0.00 0.00 0.00 0.00 60.65 60.30 1h4z s ILE 46 Cb -0.16 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.13 1h4z s ILE 46 CO -0.01 0.29 0.38 0.26 0.00 0.00 0.00 174.94 175.86 1h4z s TRP 47 N 1.65 3.20 -0.48 3.97 0.52 0.48 -1.49 118.94 126.80 1h4z s TRP 47 Ca 0.06 -0.20 -0.21 0.00 0.02 0.00 0.00 56.10 55.78 1h4z s TRP 47 Cb -0.16 -2.73 0.04 0.00 -1.15 0.00 0.00 33.47 29.48 1h4z s TRP 47 CO 0.06 -0.53 0.68 1.21 0.02 0.00 0.00 176.95 178.39 1h4z s ASN 48 N 1.75 6.29 0.07 2.95 3.84 -0.09 -0.69 114.94 129.06 1h4z s ASN 48 Ca 0.11 -0.55 0.23 0.00 0.21 0.00 0.00 52.86 52.86 1h4z s ASN 48 Cb -0.17 -2.33 0.13 0.00 -0.55 0.00 0.00 41.25 38.33 1h4z s ASN 48 CO 0.12 -0.89 1.10 0.49 -2.79 0.00 0.00 177.10 175.14 1h4z n PHE 49 N 6.41 0.35 -0.16 0.43 3.72 -0.57 -1.62 117.46 126.02 1h4z n PHE 49 Ca -0.03 0.10 0.06 0.00 -0.05 0.00 0.00 57.45 57.54 1h4z n PHE 49 Cb 0.47 -0.50 0.13 0.00 -0.94 0.00 0.00 39.48 38.63 1h4z n PHE 49 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1h4z n GLU 50 N -2.01 -0.04 0.00 -1.08 2.13 -1.14 -1.76 120.64 116.74 1h4z n GLU 50 Ca 0.02 0.69 0.12 0.00 0.66 0.00 0.00 57.16 58.65 1h4z n GLU 50 Cb 0.44 -1.08 0.16 0.00 0.27 0.00 0.00 31.44 31.22 1h4z n GLU 50 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1h4z n ARG 51 N -4.52 1.67 -2.66 5.31 5.12 -1.25 -4.95 116.66 115.37 1h4z n ARG 51 Ca 0.10 -1.30 -0.41 0.00 -1.93 0.00 0.00 57.85 54.31 1h4z n ARG 51 Cb 0.34 -1.47 -0.04 0.00 -1.16 0.00 0.00 32.46 30.12 1h4z n ARG 51 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1h4z s LEU 52 N -2.23 4.51 -0.07 0.55 2.96 -0.72 -1.19 118.68 122.50 1h4z s LEU 52 Ca 0.26 1.90 0.18 0.00 -0.22 0.00 0.00 54.13 56.25 1h4z s LEU 52 Cb 0.19 -3.60 -0.26 0.00 0.50 0.00 0.00 46.19 43.02 1h4z s LEU 52 CO 0.43 -0.09 0.30 -1.54 -1.32 0.00 0.00 176.35 174.12 1h4z n SER 53 N 2.51 0.78 -3.65 3.68 3.41 0.66 -4.81 113.62 116.21 1h4z n SER 53 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1h4z n SER 53 Cb 0.48 1.56 -0.06 0.00 -0.26 0.00 0.00 64.21 65.92 1h4z n SER 53 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1h4z s PHE 54 N -3.01 -0.09 0.13 7.33 5.99 -1.11 -5.02 117.98 122.20 1h4z s PHE 54 Ca -0.07 0.19 0.08 0.00 0.00 0.00 0.00 56.93 57.12 1h4z s PHE 54 Cb 0.10 0.20 -0.04 0.00 0.00 0.00 0.00 43.02 43.28 1h4z s PHE 54 CO 0.75 -0.04 -0.18 0.00 -0.00 0.00 0.00 175.22 175.75 1h4z s MET 55 N 0.71 1.15 0.88 10.12 0.23 -1.26 -1.03 119.30 130.09 1h4z s MET 55 Ca -0.03 -1.28 -0.11 0.00 -1.03 0.00 0.00 55.69 53.24 1h4z s MET 55 Cb -0.03 -1.21 0.17 0.00 -1.53 0.00 0.00 34.83 32.23 1h4z s MET 55 CO -0.12 0.25 1.21 0.16 -2.03 0.00 0.00 175.02 174.49 1h4z s ASP 56 N -2.38 3.60 0.52 -1.18 -4.77 -1.24 -4.92 116.67 106.30 1h4z s ASP 56 Ca 0.11 0.11 0.28 0.00 -3.30 0.00 0.00 52.55 49.75 1h4z s ASP 56 Cb -0.07 -0.30 1.40 0.00 -1.09 0.00 0.00 42.92 42.86 1h4z s ASP 56 CO 0.05 -2.40 1.91 0.77 0.70 0.00 0.00 175.17 176.20 1h4z h SER 57 N -1.25 0.06 0.39 2.11 4.64 -2.01 -1.67 113.55 115.82 1h4z h SER 57 Ca -0.42 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1h4z h SER 57 Cb 1.25 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1h4z h SER 57 CO 0.41 0.03 0.00 0.77 -0.87 0.00 0.00 176.83 177.16 1h4z h SER 58 N 0.06 0.00 0.04 4.97 4.64 -1.98 -1.09 113.55 120.19 1h4z h SER 58 Ca 0.39 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.59 1h4z h SER 58 Cb 1.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.52 1h4z h SER 58 CO -0.03 0.00 -0.37 1.23 -0.87 0.00 0.00 176.83 176.79 1h4z h GLY 59 N 0.99 0.48 0.95 -0.77 0.00 -1.65 0.92 103.07 103.99 1h4z h GLY 59 Ca 0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 1h4z h GLY 59 CO 0.00 0.41 0.07 -2.08 0.00 0.00 0.00 176.54 174.93 1h4z h VAL 60 N 0.37 1.24 -0.04 4.60 2.07 -1.36 -0.38 116.25 122.75 1h4z h VAL 60 Ca 0.04 -0.89 -0.15 0.00 0.82 0.00 0.00 66.70 66.53 1h4z h VAL 60 Cb 0.82 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1h4z h VAL 60 CO 0.07 0.31 -0.63 1.23 0.02 0.00 0.00 177.57 178.57 1h4z h GLY 61 N 0.57 0.19 0.58 2.17 0.00 -1.53 -2.02 103.07 103.03 1h4z h GLY 61 Ca 0.13 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.26 1h4z h GLY 61 CO 0.01 0.21 -0.11 -2.00 0.00 0.00 0.00 176.54 174.65 1h4z h LEU 62 N 0.12 -0.35 -0.21 3.11 5.85 0.10 0.27 115.31 124.20 1h4z h LEU 62 Ca -0.01 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1h4z h LEU 62 Cb 1.13 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 1h4z h LEU 62 CO 0.09 -0.15 -0.02 0.58 -0.34 0.00 0.00 178.44 178.60 1h4z h VAL 63 N -0.14 1.27 0.00 1.05 2.07 -0.94 -2.89 116.25 116.67 1h4z h VAL 63 Ca 0.08 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.58 1h4z h VAL 63 Cb 0.25 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1h4z h VAL 63 CO -0.19 0.29 -0.31 -0.07 0.02 0.00 0.00 177.57 177.31 1h4z h LEU 64 N 0.14 0.00 0.32 2.57 3.38 -1.05 -2.34 115.31 118.32 1h4z h LEU 64 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1h4z h LEU 64 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1h4z h LEU 64 CO 0.02 0.31 -0.15 1.23 0.09 0.00 0.00 178.44 179.93 1h4z h GLY 65 N 1.15 -0.45 1.45 0.83 0.00 -0.34 -2.24 103.07 103.48 1h4z h GLY 65 Ca -0.00 0.17 0.07 0.00 0.00 0.00 0.00 47.33 47.56 1h4z h GLY 65 CO 0.04 -0.16 0.22 3.21 0.00 0.00 0.00 176.54 179.84 1h4z h ARG 66 N -0.65 0.09 -0.01 4.80 -0.00 -1.30 -0.10 114.38 117.21 1h4z h ARG 66 Ca -0.04 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.43 1h4z h ARG 66 Cb 0.46 -0.02 -0.00 0.00 0.00 0.00 0.00 29.97 30.41 1h4z h ARG 66 CO 0.07 0.06 0.00 0.52 0.00 0.00 0.00 179.97 180.63 1h4z h MET 67 N 0.10 0.01 -0.14 0.04 2.86 -1.17 0.50 114.93 117.14 1h4z h MET 67 Ca 0.14 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1h4z h MET 67 Cb 0.44 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1h4z h MET 67 CO -0.01 0.18 0.01 0.00 1.06 0.00 0.00 176.91 178.14 1h4z h ARG 68 N -0.16 0.20 -0.25 1.72 2.47 -0.56 0.47 114.38 118.27 1h4z h ARG 68 Ca 0.00 -0.02 -0.13 0.00 -1.26 0.00 0.00 59.98 58.57 1h4z h ARG 68 Cb 0.17 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1h4z h ARG 68 CO -0.00 0.21 -0.37 0.93 0.56 0.00 0.00 179.97 181.30 1h4z h GLU 69 N 0.20 0.69 -0.49 0.04 5.08 -0.58 -3.18 114.58 116.33 1h4z h GLU 69 Ca 0.05 -0.41 -0.12 0.00 -1.00 0.00 0.00 59.36 57.88 1h4z h GLU 69 Cb 0.12 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1h4z h GLU 69 CO 0.00 1.03 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.82 1h4z h LEU 70 N 0.41 0.98 -0.90 1.33 3.38 0.13 -3.18 115.31 117.47 1h4z h LEU 70 Ca 0.02 -0.37 0.24 0.00 0.09 0.00 0.00 57.88 57.86 1h4z h LEU 70 Cb 0.96 -0.27 -0.14 0.00 0.09 0.00 0.00 40.66 41.30 1h4z h LEU 70 CO 0.09 1.13 0.32 -0.08 0.09 0.00 0.00 178.44 179.98 1h4z h GLU 71 N 0.83 0.26 0.00 1.13 4.81 -0.09 0.10 114.58 121.62 1h4z h GLU 71 Ca 0.12 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1h4z h GLU 71 Cb 0.71 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1h4z h GLU 71 CO 0.05 0.17 -0.22 0.00 -0.73 0.00 0.00 179.01 178.29 1h4z h ALA 72 N 1.77 1.08 -0.51 2.92 0.00 -1.61 -2.21 119.26 120.69 1h4z h ALA 72 Ca 0.58 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1h4z h ALA 72 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1h4z h ALA 72 CO -0.62 0.27 0.00 1.33 0.00 0.00 0.00 179.25 180.24 1h4z n VAL 73 N -3.46 2.02 -2.66 0.00 0.24 0.20 -4.91 118.33 109.75 1h4z n VAL 73 Ca -0.00 -1.37 -0.18 0.00 -2.04 0.00 0.00 64.34 60.75 1h4z n VAL 73 Cb 0.39 0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 1h4z n VAL 73 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1h4z n ALA 74 N 0.59 -0.80 -1.69 2.33 0.00 -0.68 -4.96 120.51 115.29 1h4z n ALA 74 Ca 0.24 0.15 -0.15 0.00 0.00 0.00 0.00 53.44 53.68 1h4z n ALA 74 Cb 0.90 -2.33 0.13 0.00 0.00 0.00 0.00 19.45 18.15 1h4z n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h4z n GLY 75 N -1.05 -1.22 3.13 0.00 0.00 -0.30 -5.00 105.19 100.75 1h4z n GLY 75 Ca -0.15 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 1h4z n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h4z s ARG 76 N -4.90 0.55 -0.01 1.61 0.52 -0.25 -4.57 118.95 111.90 1h4z s ARG 76 Ca 0.50 -0.47 0.08 0.00 -0.52 0.00 0.00 55.73 55.33 1h4z s ARG 76 Cb -0.01 0.23 -0.02 0.00 0.52 0.00 0.00 34.95 35.66 1h4z s ARG 76 CO 0.35 -0.14 -0.26 0.99 0.02 0.00 0.00 175.30 176.27 1h4z s THR 77 N -1.73 2.11 -0.07 0.02 2.01 -1.26 -1.46 115.64 115.25 1h4z s THR 77 Ca -0.12 -1.16 0.03 0.00 0.31 0.00 0.00 61.69 60.75 1h4z s THR 77 Cb -0.06 -1.75 0.01 0.00 0.01 0.00 0.00 72.50 70.72 1h4z s THR 77 CO 0.00 0.53 -0.14 -0.51 -0.69 0.00 0.00 174.62 173.82 1h4z s ILE 78 N -0.66 1.27 -0.33 1.82 -1.16 0.31 -2.67 121.20 119.79 1h4z s ILE 78 Ca 0.10 -0.56 -0.12 0.00 -0.51 0.00 0.00 60.65 59.56 1h4z s ILE 78 Cb -0.10 -1.15 -0.02 0.00 0.61 0.00 0.00 42.46 41.80 1h4z s ILE 78 CO -0.00 0.39 0.21 -0.76 -2.81 0.00 0.00 174.94 171.96 1h4z s LEU 79 N 0.60 4.35 -0.33 8.50 1.43 0.45 -0.38 118.68 133.29 1h4z s LEU 79 Ca -0.15 -0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 52.47 1h4z s LEU 79 Cb -0.16 -2.09 0.03 0.00 0.03 0.00 0.00 46.19 44.00 1h4z s LEU 79 CO 0.04 -0.21 0.10 -0.22 0.23 0.00 0.00 176.35 176.30 1h4z s LEU 80 N 1.69 4.20 -0.49 1.79 2.96 0.13 -2.23 118.68 126.73 1h4z s LEU 80 Ca 0.06 -1.01 -0.03 0.00 -0.22 0.00 0.00 54.13 52.93 1h4z s LEU 80 Cb -0.17 -1.88 0.00 0.00 0.50 0.00 0.00 46.19 44.64 1h4z s LEU 80 CO 0.09 -0.29 0.37 0.59 -1.32 0.00 0.00 176.35 175.79 1h4z n ASN 81 N 4.84 -3.46 -4.77 3.68 3.02 -1.23 -1.51 115.26 115.82 1h4z n ASN 81 Ca -0.13 -0.17 -0.41 0.00 -0.03 0.00 0.00 54.58 53.84 1h4z n ASN 81 Cb 0.46 -2.08 -0.01 0.00 -0.61 0.00 0.00 39.78 37.54 1h4z n ASN 81 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1h4z n PRO 82 N -2.04 2.73 0.00 3.52 -0.04 -1.26 -2.90 135.00 135.01 1h4z n PRO 82 Ca -0.01 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 1h4z n PRO 82 Cb 0.53 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 1h4z n PRO 82 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1h4z n SER 83 N 1.20 0.00 -0.04 3.54 3.41 -1.26 -4.74 113.62 115.73 1h4z n SER 83 Ca 0.04 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.64 1h4z n SER 83 Cb 0.38 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1h4z n SER 83 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1h4z h PRO 84 N 0.00 0.00 -0.21 4.33 0.14 -1.99 -2.72 132.00 131.56 1h4z h PRO 84 Ca 0.00 0.00 0.04 0.00 0.14 0.00 0.00 66.00 66.18 1h4z h PRO 84 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 31.00 31.07 1h4z h PRO 84 CO 0.00 0.00 -0.53 1.79 0.14 0.00 0.00 178.00 179.40 1h4z h THR 85 N -0.75 0.02 -0.84 1.56 1.35 -1.97 0.20 112.91 112.48 1h4z h THR 85 Ca 0.00 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.96 1h4z h THR 85 Cb 0.10 0.02 -0.12 0.00 -1.73 0.00 0.00 68.15 66.42 1h4z h THR 85 CO 0.00 0.00 -0.52 0.24 -0.25 0.00 0.00 175.52 174.99 1h4z h MET 86 N -0.53 -0.09 -0.56 4.72 2.86 -1.95 4.65 114.93 124.04 1h4z h MET 86 Ca 0.05 0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 1h4z h MET 86 Cb 0.66 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 1h4z h MET 86 CO -0.48 -0.06 0.10 -0.09 1.06 0.00 0.00 176.91 177.45 1h4z h ARG 87 N -0.10 0.88 -0.22 1.72 2.43 -1.00 0.61 114.38 118.70 1h4z h ARG 87 Ca 0.18 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1h4z h ARG 87 Cb 0.50 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1h4z h ARG 87 CO -0.86 0.81 0.08 0.87 -1.51 0.00 0.00 179.97 179.36 1h4z h LYS 88 N 0.84 0.34 -0.72 0.20 1.57 0.30 0.26 116.57 119.35 1h4z h LYS 88 Ca 0.18 -0.07 0.17 0.00 -1.87 0.00 0.00 60.65 59.06 1h4z h LYS 88 Cb 0.35 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 1h4z h LYS 88 CO 0.00 0.41 0.49 0.28 -0.57 0.00 0.00 179.45 180.07 1h4z h VAL 89 N 0.20 0.73 0.06 0.50 2.07 0.95 -2.27 116.25 118.49 1h4z h VAL 89 Ca 0.07 -0.08 -0.33 0.00 0.82 0.00 0.00 66.70 67.18 1h4z h VAL 89 Cb 0.20 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1h4z h VAL 89 CO -0.00 0.04 -1.85 0.49 0.02 0.00 0.00 177.57 176.27 1h4z n PHE 90 N -4.43 0.92 0.00 1.57 3.72 0.16 -4.38 117.46 115.02 1h4z n PHE 90 Ca 0.14 0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.81 1h4z n PHE 90 Cb 0.62 -1.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.06 1h4z n PHE 90 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1h4z n GLN 91 N -3.87 0.00 -3.17 -1.08 7.27 0.87 -4.80 117.38 112.60 1h4z n GLN 91 Ca -0.36 0.79 -0.43 0.00 0.07 0.00 0.00 57.00 57.07 1h4z n GLN 91 Cb 0.90 -1.47 -0.00 0.00 2.41 0.00 0.00 30.24 32.08 1h4z n GLN 91 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1h4z n PHE 92 N -2.53 3.45 -3.62 3.69 1.16 -0.87 -5.08 117.46 113.66 1h4z n PHE 92 Ca 0.00 -3.18 -0.08 0.00 -1.87 0.00 0.00 57.45 52.33 1h4z n PHE 92 Cb 0.00 -1.38 -0.06 0.00 -1.61 0.00 0.00 39.48 36.43 1h4z n PHE 92 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1h4z s GLY 96 N -0.67 -0.06 0.44 4.97 0.00 -1.26 -4.83 107.32 105.91 1h4z s GLY 96 Ca 0.31 2.68 -0.05 0.00 0.00 0.00 0.00 44.72 47.66 1h4z s GLY 96 CO 0.03 1.55 0.60 -1.55 0.00 0.00 0.00 173.10 173.73 1h4z n PRO 97 N 1.49 -0.31 -3.56 2.90 -0.05 -1.26 -5.07 135.00 129.15 1h4z n PRO 97 Ca -0.10 -1.15 -0.37 0.00 -0.05 0.00 0.00 63.50 61.83 1h4z n PRO 97 Cb 0.57 -0.55 -0.09 0.00 -0.05 0.00 0.00 33.50 33.38 1h4z n PRO 97 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 175.50 173.87 1h4z s TRP 98 N -2.06 3.32 -0.18 0.54 0.52 -1.09 -4.95 118.94 115.04 1h4z s TRP 98 Ca 0.36 0.35 -0.03 0.00 0.02 0.00 0.00 56.10 56.79 1h4z s TRP 98 Cb -0.01 -2.37 -0.02 0.00 -1.15 0.00 0.00 33.47 29.92 1h4z s TRP 98 CO 0.25 0.01 -0.05 -1.64 0.02 0.00 0.00 176.95 175.53 1h4z s MET 99 N 1.25 3.50 -0.06 4.98 -1.94 -1.26 0.17 119.30 125.94 1h4z s MET 99 Ca 0.11 -0.59 -0.03 0.00 -1.71 0.00 0.00 55.69 53.48 1h4z s MET 99 Cb -0.14 -2.93 0.04 0.00 2.01 0.00 0.00 34.83 33.81 1h4z s MET 99 CO 0.06 0.03 0.11 0.00 -0.01 0.00 0.00 175.02 175.21 1h4z s MET 100 N 0.90 -0.02 -0.65 2.03 0.23 -0.95 -4.98 119.30 115.86 1h4z s MET 100 Ca -0.01 0.47 -0.26 0.00 -1.03 0.00 0.00 55.69 54.86 1h4z s MET 100 Cb -0.15 -0.39 -0.03 0.00 -1.53 0.00 0.00 34.83 32.74 1h4z s MET 100 CO 0.01 -0.32 1.89 -0.51 -2.03 0.00 0.00 175.02 174.06 1h4z s ASP 101 N 2.21 5.23 0.29 -1.18 1.11 -1.26 -3.56 116.67 119.51 1h4z s ASP 101 Ca 0.04 0.22 -0.09 0.00 0.18 0.00 0.00 52.55 52.90 1h4z s ASP 101 Cb -0.12 -2.53 0.03 0.00 1.07 0.00 0.00 42.92 41.37 1h4z s ASP 101 CO -0.04 -2.44 0.54 0.00 1.18 0.00 0.00 175.17 174.40 1h4z n ALA 102 N 13.00 -1.06 -1.96 5.23 0.00 -1.26 -5.01 120.51 129.45 1h4z n ALA 102 Ca 0.23 -1.03 -0.24 0.00 0.00 0.00 0.00 53.44 52.41 1h4z n ALA 102 Cb 0.51 0.83 0.07 0.00 0.00 0.00 0.00 19.45 20.86 1h4z n ALA 102 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1h4z s THR 103 N -2.43 2.36 0.09 0.00 -4.23 -1.26 -4.78 115.64 105.39 1h4z s THR 103 Ca 0.15 -0.50 -0.18 0.00 -1.18 0.00 0.00 61.69 59.98 1h4z s THR 103 Cb -0.03 -2.87 -0.08 0.00 1.34 0.00 0.00 72.50 70.87 1h4z s THR 103 CO 0.11 0.00 1.53 -0.33 -0.54 0.00 0.00 174.62 175.39 1h4z h GLU 104 N -0.39 0.46 -0.16 3.99 5.08 -2.00 0.78 114.58 122.35 1h4z h GLU 104 Ca -0.41 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 57.83 1h4z h GLU 104 Cb 1.29 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1h4z h GLU 104 CO 0.50 0.62 0.00 1.49 -1.00 0.00 0.00 179.01 180.63 1h4z h GLU 105 N 0.25 0.06 0.07 2.33 4.81 -1.99 0.28 114.58 120.38 1h4z h GLU 105 Ca 0.08 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1h4z h GLU 105 Cb 0.41 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 1h4z h GLU 105 CO 0.01 0.04 -0.47 0.93 -0.73 0.00 0.00 179.01 178.79 1h4z h GLU 106 N 0.06 -0.64 -0.81 1.92 5.08 -1.87 0.36 114.58 118.67 1h4z h GLU 106 Ca 0.07 0.04 0.17 0.00 -1.00 0.00 0.00 59.36 58.65 1h4z h GLU 106 Cb 0.09 0.15 -0.11 0.00 0.50 0.00 0.00 28.75 29.38 1h4z h GLU 106 CO -0.12 -0.43 0.33 0.00 -1.00 0.00 0.00 179.01 177.79 1h4z h ALA 107 N -0.26 1.19 -0.12 3.43 0.00 0.13 -1.41 119.26 122.22 1h4z h ALA 107 Ca 0.02 0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1h4z h ALA 107 Cb 0.70 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1h4z h ALA 107 CO -0.30 -0.26 -0.31 0.82 0.00 0.00 0.00 179.25 179.20 1h4z h ILE 108 N 0.42 1.38 -0.67 0.00 2.04 0.54 -2.19 117.51 119.02 1h4z h ILE 108 Ca 0.47 -1.61 0.14 0.00 1.00 0.00 0.00 64.86 64.86 1h4z h ILE 108 Cb 0.79 2.09 -0.12 0.00 -0.74 0.00 0.00 36.82 38.84 1h4z h ILE 108 CO -0.46 0.48 -0.09 0.44 0.00 0.00 0.00 178.15 178.52 1h4z h ASP 109 N 0.02 -0.48 -0.87 1.72 3.32 0.21 0.99 116.42 121.33 1h4z h ASP 109 Ca -0.00 0.19 0.02 0.00 0.02 0.00 0.00 57.03 57.26 1h4z h ASP 109 Cb 0.92 0.36 -0.05 0.00 0.22 0.00 0.00 39.33 40.79 1h4z h ASP 109 CO 0.07 -0.19 0.57 0.03 -1.72 0.00 0.00 179.24 178.00 1h4z h ARG 110 N 0.05 1.10 -0.27 3.56 3.08 -1.14 -2.50 114.38 118.26 1h4z h ARG 110 Ca 0.34 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 60.18 1h4z h ARG 110 Cb 0.55 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1h4z h ARG 110 CO -0.64 0.73 -0.43 0.28 -1.07 0.00 0.00 179.97 178.83 1h4z h VAL 111 N 1.13 1.30 -0.79 2.04 2.07 -0.22 -3.06 116.25 118.72 1h4z h VAL 111 Ca 0.33 -1.62 0.04 0.00 0.82 0.00 0.00 66.70 66.28 1h4z h VAL 111 Cb -0.05 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 1h4z h VAL 111 CO -0.09 0.52 0.50 0.03 0.02 0.00 0.00 177.57 178.54 1h4z h ARG 112 N 0.54 0.92 -7.19 1.57 3.08 -0.69 -3.41 114.38 109.20 1h4z h ARG 112 Ca 0.04 -0.06 -0.52 0.00 0.07 0.00 0.00 59.98 59.52 1h4z h ARG 112 Cb 0.97 -0.21 0.12 0.00 0.08 0.00 0.00 29.97 30.93 1h4z h ARG 112 CO 0.09 0.61 0.38 0.20 -1.07 0.00 0.00 179.97 180.18 1h4z s GLY 113 N -3.04 2.22 0.00 0.04 0.00 -1.13 -5.69 107.32 99.73 1h4z s GLY 113 Ca -0.13 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.26 1h4z s GLY 113 CO 0.78 1.04 0.00 1.39 0.00 0.00 0.00 173.10 176.31