#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqz h LEU 3 N 0.00 0.64 -6.63 0.00 4.07 -1.89 -3.31 115.31 108.19 1hqz h LEU 3 Ca 0.00 0.04 -0.60 0.00 0.08 0.00 0.00 57.88 57.40 1hqz h LEU 3 Cb 0.00 -0.08 -0.39 0.00 1.08 0.00 0.00 40.66 41.26 1hqz h LEU 3 CO 0.00 0.38 -0.83 -1.61 -1.08 0.00 0.00 178.44 175.30 1hqz s GLU 4 N -6.05 1.41 0.02 1.13 2.02 -1.26 -5.08 118.70 110.88 1hqz s GLU 4 Ca -0.13 -2.47 -0.34 0.00 0.02 0.00 0.00 54.97 52.05 1hqz s GLU 4 Cb 0.18 -2.09 -0.13 0.00 0.10 0.00 0.00 34.13 32.19 1hqz s GLU 4 CO 0.77 -1.34 1.75 -2.30 0.02 0.00 0.00 175.26 174.17 1hqz n PRO 5 N 2.64 2.16 -1.72 0.39 -0.02 -1.25 -4.87 135.00 132.33 1hqz n PRO 5 Ca 0.25 0.79 -0.42 0.00 -2.02 0.00 0.00 63.50 62.09 1hqz n PRO 5 Cb 0.43 -2.60 -0.01 0.00 -0.02 0.00 0.00 33.50 31.30 1hqz n PRO 5 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1hqz n ILE 6 N 4.41 1.56 -3.82 4.25 3.06 -1.26 -4.97 119.36 122.59 1hqz n ILE 6 Ca 0.20 -0.39 -0.36 0.00 -2.50 0.00 0.00 62.75 59.70 1hqz n ILE 6 Cb 0.29 -1.76 -0.12 0.00 0.54 0.00 0.00 39.64 38.59 1hqz n ILE 6 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1hqz s ASP 7 N 0.05 5.14 -0.07 9.51 2.15 -1.26 -4.89 116.67 127.29 1hqz s ASP 7 Ca 0.59 -1.58 0.11 0.00 0.43 0.00 0.00 52.55 52.10 1hqz s ASP 7 Cb -0.54 -1.79 0.17 0.00 -0.30 0.00 0.00 42.92 40.46 1hqz s ASP 7 CO 0.57 -0.40 1.10 0.00 -0.17 0.00 0.00 175.17 176.27 1hqz n TYR 8 N 4.65 0.04 -0.09 -5.34 0.18 -1.26 -1.38 117.16 113.96 1hqz n TYR 8 Ca -0.08 -0.77 -0.16 0.00 1.88 0.00 0.00 57.90 58.77 1hqz n TYR 8 Cb 0.43 -0.11 -0.13 0.00 -0.38 0.00 0.00 39.34 39.14 1hqz n TYR 8 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1hqz n THR 9 N -0.97 1.53 -0.20 -3.48 -2.24 -1.26 -3.45 114.28 104.20 1hqz n THR 9 Ca 0.09 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1hqz n THR 9 Cb 0.48 -1.21 0.11 0.00 -2.10 0.00 0.00 70.33 67.60 1hqz n THR 9 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1hqz h THR 10 N 0.01 0.69 -0.67 4.28 2.02 -1.91 -1.71 112.91 115.63 1hqz h THR 10 Ca -0.52 -0.11 -0.43 0.00 0.77 0.00 0.00 66.41 66.12 1hqz h THR 10 Cb 2.02 0.35 -0.25 0.00 -1.74 0.00 0.00 68.15 68.52 1hqz h THR 10 CO -0.02 0.06 0.01 1.41 0.37 0.00 0.00 175.52 177.35 1hqz n HIS 11 N -5.08 2.20 -0.25 3.16 8.25 -1.26 -4.75 115.22 117.50 1hqz n HIS 11 Ca 0.09 -2.13 0.09 0.00 -0.26 0.00 0.00 57.72 55.51 1hqz n HIS 11 Cb 0.30 -0.72 0.35 0.00 1.12 0.00 0.00 29.99 31.05 1hqz n HIS 11 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1hqz h SER 12 N 1.54 0.69 0.34 0.41 4.64 -1.33 -2.14 113.55 117.69 1hqz h SER 12 Ca 0.39 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1hqz h SER 12 Cb 1.54 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 63.50 1hqz h SER 12 CO 0.83 0.39 -0.31 -0.09 -0.87 0.00 0.00 176.83 176.78 1hqz h ARG 13 N 0.75 -0.65 -0.59 4.77 2.43 -1.85 0.40 114.38 119.64 1hqz h ARG 13 Ca 0.40 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.59 1hqz h ARG 13 Cb 0.52 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 1hqz h ARG 13 CO -0.17 -0.43 0.27 0.93 -1.51 0.00 0.00 179.97 179.06 1hqz h GLU 14 N -0.67 0.86 0.41 0.20 3.07 -1.90 -2.00 114.58 114.55 1hqz h GLU 14 Ca -0.02 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 58.68 1hqz h GLU 14 Cb 0.60 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 1hqz h GLU 14 CO -0.04 0.71 -0.20 0.82 -1.40 0.00 0.00 179.01 178.90 1hqz h ILE 15 N 0.81 0.57 -0.88 3.13 2.04 -1.21 -2.99 117.51 118.98 1hqz h ILE 15 Ca 0.20 -0.37 0.10 0.00 1.00 0.00 0.00 64.86 65.79 1hqz h ILE 15 Cb 0.14 0.75 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 1hqz h ILE 15 CO -0.02 0.07 0.52 0.44 0.00 0.00 0.00 178.15 179.16 1hqz h ASP 16 N -0.77 0.77 -0.57 1.72 3.32 -0.21 -0.29 116.42 120.40 1hqz h ASP 16 Ca -0.06 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.10 1hqz h ASP 16 Cb 0.53 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.91 1hqz h ASP 16 CO 0.09 0.44 0.28 0.00 -1.72 0.00 0.00 179.24 178.33 1hqz h ALA 17 N 1.47 0.74 -0.19 3.45 0.00 -1.35 -0.26 119.26 123.12 1hqz h ALA 17 Ca 0.42 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.18 1hqz h ALA 17 Cb 0.36 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1hqz h ALA 17 CO -0.24 -0.07 -0.61 0.93 0.00 0.00 0.00 179.25 179.26 1hqz h GLU 18 N 0.53 0.65 0.05 0.00 4.39 -1.22 -3.01 114.58 115.97 1hqz h GLU 18 Ca 0.26 -0.45 0.01 0.00 0.34 0.00 0.00 59.36 59.52 1hqz h GLU 18 Cb 0.20 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1hqz h GLU 18 CO -0.19 1.06 -0.08 -0.92 -1.16 0.00 0.00 179.01 177.72 1hqz h TYR 19 N 0.49 -0.21 -0.95 4.33 3.20 -0.51 -2.41 116.97 120.90 1hqz h TYR 19 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1hqz h TYR 19 Cb 1.19 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 39.50 1hqz h TYR 19 CO 0.06 -0.13 0.59 -0.07 -1.64 0.00 0.00 178.16 176.97 1hqz h LEU 20 N -0.17 1.12 -0.94 2.82 3.38 -1.10 -0.40 115.31 120.02 1hqz h LEU 20 Ca 0.01 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 57.98 1hqz h LEU 20 Cb 0.18 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 1hqz h LEU 20 CO -0.05 0.84 0.60 0.11 0.09 0.00 0.00 178.44 180.04 1hqz h LYS 21 N 1.30 1.10 0.08 1.13 1.57 -1.37 -1.00 116.57 119.38 1hqz h LYS 21 Ca 0.34 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1hqz h LYS 21 Cb -0.09 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 31.97 1hqz h LYS 21 CO -0.07 0.73 -0.04 0.82 -0.57 0.00 0.00 179.45 180.32 1hqz h ILE 22 N 1.13 1.19 0.00 1.86 2.04 -0.79 -0.34 117.51 122.60 1hqz h ILE 22 Ca 0.39 -1.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 1hqz h ILE 22 Cb 0.10 1.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1hqz h ILE 22 CO -0.15 0.27 -0.16 -0.37 0.00 0.00 0.00 178.15 177.74 1hqz h VAL 23 N -0.63 0.53 0.00 1.67 -1.51 -0.99 -3.01 116.25 112.32 1hqz h VAL 23 Ca -0.01 -0.75 0.00 0.00 -1.23 0.00 0.00 66.70 64.71 1hqz h VAL 23 Cb 0.52 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1hqz h VAL 23 CO 0.02 0.15 -1.24 0.54 -1.23 0.00 0.00 177.57 175.81 1hqz n ARG 24 N -3.52 0.16 -3.61 5.19 1.74 -0.39 -4.99 116.66 111.25 1hqz n ARG 24 Ca -0.01 -0.05 -0.24 0.00 -0.77 0.00 0.00 57.85 56.78 1hqz n ARG 24 Cb 0.31 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.32 1hqz n ARG 24 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hqz n GLY 25 N 1.44 -0.53 0.45 -0.13 0.00 -0.16 -4.89 105.19 101.37 1hqz n GLY 25 Ca 0.02 0.24 0.14 0.00 0.00 0.00 0.00 46.02 46.42 1hqz n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hqz n SER 26 N -3.02 1.42 -3.32 1.61 3.41 -1.04 -4.74 113.62 107.94 1hqz n SER 26 Ca -0.02 -1.44 -0.08 0.00 -0.26 0.00 0.00 58.87 57.07 1hqz n SER 26 Cb 0.57 0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.46 1hqz n SER 26 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1hqz s ASP 27 N -2.03 0.21 0.33 4.04 2.15 -1.26 -5.02 116.67 115.09 1hqz s ASP 27 Ca 0.37 0.02 0.22 0.00 0.43 0.00 0.00 52.55 53.60 1hqz s ASP 27 Cb 0.21 1.17 1.20 0.00 -0.30 0.00 0.00 42.92 45.21 1hqz s ASP 27 CO 0.35 -0.32 1.68 -0.81 -0.17 0.00 0.00 175.17 175.90 1hqz n PRO 28 N 5.36 0.14 0.02 4.34 -0.04 -1.26 -1.02 135.00 142.55 1hqz n PRO 28 Ca -0.02 0.64 0.12 0.00 -0.04 0.00 0.00 63.50 64.21 1hqz n PRO 28 Cb 0.50 -1.98 0.30 0.00 -0.04 0.00 0.00 33.50 32.28 1hqz n PRO 28 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1hqz n ASP 29 N -2.28 0.49 -3.72 3.54 8.00 -1.26 -4.60 116.55 116.71 1hqz n ASP 29 Ca -0.01 0.02 -0.30 0.00 0.71 0.00 0.00 54.79 55.21 1hqz n ASP 29 Cb 0.04 0.05 -0.15 0.00 -0.02 0.00 0.00 41.12 41.04 1hqz n ASP 29 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1hqz s THR 30 N -3.05 0.92 -0.16 -3.53 2.01 -0.19 -3.39 115.64 108.24 1hqz s THR 30 Ca 0.10 -1.54 0.02 0.00 0.31 0.00 0.00 61.69 60.58 1hqz s THR 30 Cb 0.16 -1.69 -0.01 0.00 0.01 0.00 0.00 72.50 70.97 1hqz s THR 30 CO 0.67 -0.71 0.25 0.35 -0.69 0.00 0.00 174.62 174.49 1hqz n THR 31 N 4.68 0.00 -3.88 -0.82 -2.24 0.16 -4.40 114.28 107.77 1hqz n THR 31 Ca -0.00 -0.47 -0.09 0.00 -2.27 0.00 0.00 64.05 61.22 1hqz n THR 31 Cb 0.41 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 69.58 1hqz n THR 31 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1hqz s TRP 32 N -0.86 0.15 0.00 4.78 1.48 -0.96 0.83 118.94 124.36 1hqz s TRP 32 Ca 0.01 -0.51 -0.12 0.00 -1.06 0.00 0.00 56.10 54.42 1hqz s TRP 32 Cb 0.02 -0.08 0.01 0.00 -1.16 0.00 0.00 33.47 32.26 1hqz s TRP 32 CO 0.07 -0.48 0.24 -1.17 -4.06 0.00 0.00 176.95 171.56 1hqz s LEU 33 N -2.54 1.12 -0.05 -4.66 2.96 0.72 -2.94 118.68 113.29 1hqz s LEU 33 Ca 0.01 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1hqz s LEU 33 Cb 0.03 1.06 0.03 0.00 0.50 0.00 0.00 46.19 47.81 1hqz s LEU 33 CO -0.08 -0.45 0.01 -0.63 -1.32 0.00 0.00 176.35 173.87 1hqz s ILE 34 N -1.61 0.25 -0.09 6.68 1.01 -0.83 -0.62 121.20 125.99 1hqz s ILE 34 Ca -0.12 0.13 -0.02 0.00 0.00 0.00 0.00 60.65 60.64 1hqz s ILE 34 Cb -0.05 -0.39 -0.03 0.00 0.01 0.00 0.00 42.46 41.99 1hqz s ILE 34 CO 0.02 0.21 0.01 0.27 0.00 0.00 0.00 174.94 175.44 1hqz s ILE 35 N 1.58 4.37 0.06 2.92 -4.36 -0.11 -0.23 121.20 125.42 1hqz s ILE 35 Ca -0.02 -0.23 -0.00 0.00 -0.26 0.00 0.00 60.65 60.15 1hqz s ILE 35 Cb -0.13 -2.84 -0.04 0.00 1.25 0.00 0.00 42.46 40.70 1hqz s ILE 35 CO -0.03 0.60 -0.04 -0.55 0.24 0.00 0.00 174.94 175.16 1hqz s SER 36 N -0.87 0.61 0.24 4.36 0.15 -0.36 -2.39 113.70 115.45 1hqz s SER 36 Ca 0.13 -0.92 -0.30 0.00 0.70 0.00 0.00 55.95 55.56 1hqz s SER 36 Cb -0.11 0.16 -0.09 0.00 -1.71 0.00 0.00 66.02 64.26 1hqz s SER 36 CO 0.02 -0.52 0.94 -2.16 1.20 0.00 0.00 173.24 172.73 1hqz s PRO 37 N -3.50 4.85 0.00 5.44 0.04 -1.26 -1.37 135.00 139.19 1hqz s PRO 37 Ca 0.05 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1hqz s PRO 37 Cb 0.04 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.32 1hqz s PRO 37 CO -0.07 0.51 0.00 0.27 0.04 0.00 0.00 177.00 177.74 1hqz n ASN 38 N 1.47 0.00 0.22 6.66 0.23 0.30 -4.86 115.26 119.28 1hqz n ASN 38 Ca -0.02 -0.97 0.10 0.00 -0.53 0.00 0.00 54.58 53.16 1hqz n ASN 38 Cb 0.47 0.00 0.65 0.00 -2.08 0.00 0.00 39.78 38.82 1hqz n ASN 38 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1hqz h ALA 39 N -0.73 2.06 -0.36 -2.53 0.00 -1.98 -1.09 119.26 114.64 1hqz h ALA 39 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hqz h ALA 39 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1hqz h ALA 39 CO 0.00 -0.10 0.00 1.63 0.00 0.00 0.00 179.25 180.78 1hqz n LYS 40 N -4.50 1.98 -2.10 0.00 5.02 -1.26 -4.89 118.16 112.41 1hqz n LYS 40 Ca -0.01 -1.36 -0.13 0.00 -2.02 0.00 0.00 58.31 54.79 1hqz n LYS 40 Cb 0.17 -1.35 -0.02 0.00 -0.02 0.00 0.00 35.03 33.81 1hqz n LYS 40 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1hqz n LYS 41 N 0.55 -1.05 -4.24 1.97 5.02 -0.41 -5.00 118.16 115.00 1hqz n LYS 41 Ca 0.13 0.71 -0.34 0.00 -2.02 0.00 0.00 58.31 56.79 1hqz n LYS 41 Cb 0.36 -4.93 -0.11 0.00 -0.02 0.00 0.00 35.03 30.33 1hqz n LYS 41 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1hqz s GLU 42 N -4.39 3.75 0.38 1.97 2.02 -1.26 -4.54 118.70 116.63 1hqz s GLU 42 Ca 0.00 -0.44 -0.24 0.00 0.02 0.00 0.00 54.97 54.31 1hqz s GLU 42 Cb 0.00 -3.03 -0.10 0.00 0.10 0.00 0.00 34.13 31.11 1hqz s GLU 42 CO 0.00 0.29 0.98 0.71 0.02 0.00 0.00 175.26 177.26 1hqz s TYR 43 N 0.27 3.42 0.20 1.61 1.51 -0.48 -0.53 117.35 123.35 1hqz s TYR 43 Ca -0.00 1.68 -0.23 0.00 -1.01 0.00 0.00 57.07 57.51 1hqz s TYR 43 Cb -0.13 -2.97 0.05 0.00 -0.11 0.00 0.00 41.96 38.79 1hqz s TYR 43 CO 0.02 -0.18 0.78 -1.83 -1.11 0.00 0.00 175.55 173.22 1hqz s GLU 44 N -2.57 1.46 0.37 -0.62 -1.05 -0.47 -4.40 118.70 111.42 1hqz s GLU 44 Ca 0.57 -0.75 -0.28 0.00 -0.15 0.00 0.00 54.97 54.35 1hqz s GLU 44 Cb -0.17 0.53 -0.11 0.00 -0.44 0.00 0.00 34.13 33.95 1hqz s GLU 44 CO 0.22 -0.66 1.47 -2.14 0.95 0.00 0.00 175.26 175.09 1hqz s PRO 45 N -3.65 4.14 -0.05 -4.83 0.02 -1.26 -1.22 135.00 128.15 1hqz s PRO 45 Ca 0.09 2.53 0.02 0.00 0.02 0.00 0.00 61.00 63.66 1hqz s PRO 45 Cb -0.03 -2.98 -0.05 0.00 0.02 0.00 0.00 34.50 31.46 1hqz s PRO 45 CO 0.01 -0.49 -0.03 -1.91 -0.33 0.00 0.00 177.00 174.25 1hqz n GLU 46 N 0.59 1.26 -3.48 5.54 2.13 0.68 -4.79 120.64 122.56 1hqz n GLU 46 Ca 0.01 0.02 -0.15 0.00 0.66 0.00 0.00 57.16 57.71 1hqz n GLU 46 Cb 0.39 -1.12 -0.04 0.00 0.27 0.00 0.00 31.44 30.94 1hqz n GLU 46 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1hqz s SER 47 N -4.21 -0.60 0.09 4.31 1.04 -1.21 -5.02 113.70 108.09 1hqz s SER 47 Ca -0.06 0.36 -0.08 0.00 0.48 0.00 0.00 55.95 56.65 1hqz s SER 47 Cb 0.02 0.55 -0.00 0.00 0.10 0.00 0.00 66.02 66.69 1hqz s SER 47 CO 0.16 -0.76 0.18 0.42 0.98 0.00 0.00 173.24 174.21 1hqz s THR 48 N -2.40 0.15 0.00 2.02 -4.23 -1.26 -1.96 115.64 107.95 1hqz s THR 48 Ca -0.05 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1hqz s THR 48 Cb -0.00 -1.37 0.00 0.00 1.34 0.00 0.00 72.50 72.47 1hqz s THR 48 CO -0.01 -0.66 0.00 0.61 -0.54 0.00 0.00 174.62 174.02 1hqz n GLY 49 N -0.06 0.93 0.00 3.99 0.00 -1.15 -5.01 105.19 103.89 1hqz n GLY 49 Ca -0.15 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1hqz n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1hqz n SER 50 N -0.32 0.95 -4.64 1.61 3.41 -1.22 0.35 113.62 113.76 1hqz n SER 50 Ca 0.00 -0.34 -0.39 0.00 -0.26 0.00 0.00 58.87 57.88 1hqz n SER 50 Cb 0.00 0.87 -0.08 0.00 -0.26 0.00 0.00 64.21 64.74 1hqz n SER 50 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1hqz s SER 51 N -1.06 6.40 0.31 4.04 0.15 -1.26 -4.76 113.70 117.52 1hqz s SER 51 Ca 0.00 0.47 0.02 0.00 0.70 0.00 0.00 55.95 57.14 1hqz s SER 51 Cb 0.00 -2.25 0.51 0.00 -1.71 0.00 0.00 66.02 62.57 1hqz s SER 51 CO 0.00 -0.17 1.84 0.15 1.20 0.00 0.00 173.24 176.26 1hqz h PHE 52 N 7.77 0.67 -0.44 3.44 3.57 -1.94 -2.30 116.94 127.70 1hqz h PHE 52 Ca -0.33 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.13 1hqz h PHE 52 Cb 1.16 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 1hqz h PHE 52 CO 0.72 0.62 0.26 1.25 -2.23 0.00 0.00 178.31 178.93 1hqz h HIS 53 N 0.61 0.49 -0.03 0.41 2.76 -2.01 -2.21 115.15 115.17 1hqz h HIS 53 Ca 0.13 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.21 1hqz h HIS 53 Cb 0.34 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 1hqz h HIS 53 CO 0.01 0.28 -0.47 -0.44 -1.30 0.00 0.00 177.93 176.02 1hqz h ASP 54 N 0.52 0.07 0.36 3.26 3.45 -1.91 -3.20 116.42 118.98 1hqz h ASP 54 Ca 0.18 -0.03 -0.01 0.00 0.43 0.00 0.00 57.03 57.60 1hqz h ASP 54 Cb 0.02 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1hqz h ASP 54 CO -0.08 0.53 -0.27 0.15 -1.57 0.00 0.00 179.24 178.00 1hqz h PHE 55 N 0.06 -0.70 0.00 4.55 3.57 -0.85 -2.43 116.94 121.14 1hqz h PHE 55 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1hqz h PHE 55 Cb 0.85 0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.85 1hqz h PHE 55 CO 0.00 -0.40 0.00 1.28 -2.23 0.00 0.00 178.31 176.96 1hqz n LEU 56 N -5.39 0.22 -0.58 0.59 4.77 -1.01 -1.73 117.00 113.86 1hqz n LEU 56 Ca -0.10 0.60 0.06 0.00 -0.03 0.00 0.00 56.01 56.55 1hqz n LEU 56 Cb 0.30 -0.63 0.10 0.00 -2.33 0.00 0.00 43.42 40.86 1hqz n LEU 56 CO 0.32 -0.66 0.52 0.00 -1.33 0.00 0.00 177.39 176.24 1hqz n GLN 57 N -1.80 1.53 -0.34 3.23 6.02 -0.93 -4.59 117.38 120.50 1hqz n GLN 57 Ca -0.00 -1.57 0.11 0.00 -0.01 0.00 0.00 57.00 55.52 1hqz n GLN 57 Cb 0.02 -1.26 0.29 0.00 1.02 0.00 0.00 30.24 30.31 1hqz n GLN 57 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1hqz n LEU 58 N 0.68 3.57 -4.81 1.08 4.77 -0.71 -4.96 117.00 116.62 1hqz n LEU 58 Ca 0.09 -1.78 -0.36 0.00 -0.03 0.00 0.00 56.01 53.93 1hqz n LEU 58 Cb 0.36 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1hqz n LEU 58 CO 0.08 0.89 0.48 -0.36 -1.33 0.00 0.00 177.39 177.15 1hqz s PHE 59 N -1.11 3.63 -0.21 -1.77 0.40 -1.26 -5.05 117.98 112.61 1hqz s PHE 59 Ca 0.45 1.47 -0.16 0.00 -0.60 0.00 0.00 56.93 58.09 1hqz s PHE 59 Cb 0.23 -2.69 -0.04 0.00 0.51 0.00 0.00 43.02 41.04 1hqz s PHE 59 CO 0.30 0.28 0.40 0.34 0.70 0.00 0.00 175.22 177.24 1hqz s ASP 60 N -1.70 6.41 0.25 1.36 -1.08 -1.26 -4.97 116.67 115.67 1hqz s ASP 60 Ca 0.46 0.48 0.18 0.00 -0.52 0.00 0.00 52.55 53.15 1hqz s ASP 60 Cb -0.16 -2.23 0.93 0.00 -1.46 0.00 0.00 42.92 40.00 1hqz s ASP 60 CO 0.21 -0.10 1.55 -0.62 0.52 0.00 0.00 175.17 176.73 1hqz n GLU 61 N 4.65 0.12 -0.03 4.34 1.02 -1.26 -2.33 120.64 127.15 1hqz n GLU 61 Ca -0.08 0.57 0.08 0.00 -0.02 0.00 0.00 57.16 57.71 1hqz n GLU 61 Cb 0.51 -1.86 0.08 0.00 -0.02 0.00 0.00 31.44 30.15 1hqz n GLU 61 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1hqz n THR 62 N -2.10 0.11 -4.26 2.62 -2.24 -1.26 -3.52 114.28 103.61 1hqz n THR 62 Ca -0.01 -0.55 -0.17 0.00 -2.27 0.00 0.00 64.05 61.05 1hqz n THR 62 Cb 0.06 1.24 -0.14 0.00 -2.10 0.00 0.00 70.33 69.39 1hqz n THR 62 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1hqz s LYS 63 N -1.26 0.64 -0.02 -0.78 1.02 -0.99 -3.89 119.74 114.47 1hqz s LYS 63 Ca 0.20 -0.42 -0.30 0.00 0.02 0.00 0.00 55.97 55.47 1hqz s LYS 63 Cb 0.13 -0.59 -0.03 0.00 -0.52 0.00 0.00 37.83 36.81 1hqz s LYS 63 CO 0.20 0.15 1.11 0.08 -0.92 0.00 0.00 175.35 175.97 1hqz s VAL 64 N -0.47 4.45 0.23 3.17 1.01 -1.26 -4.47 120.40 123.06 1hqz s VAL 64 Ca 0.01 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.75 1hqz s VAL 64 Cb -0.05 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1hqz s VAL 64 CO 0.00 0.07 0.11 -1.10 0.00 0.00 0.00 175.10 174.18 1hqz s GLN 65 N 1.60 1.33 -0.05 2.72 -0.21 0.15 -4.57 119.66 120.63 1hqz s GLN 65 Ca 0.54 -1.71 0.01 0.00 0.02 0.00 0.00 55.36 54.22 1hqz s GLN 65 Cb -0.24 -0.03 0.02 0.00 1.00 0.00 0.00 33.01 33.77 1hqz s GLN 65 CO 0.24 -0.34 -0.04 0.71 -2.12 0.00 0.00 175.29 173.74 1hqz s TYR 66 N -3.92 0.75 0.02 0.91 1.51 -1.00 -0.95 117.35 114.66 1hqz s TYR 66 Ca 0.38 -0.21 0.06 0.00 -1.01 0.00 0.00 57.07 56.29 1hqz s TYR 66 Cb 0.07 -0.68 -0.03 0.00 -0.11 0.00 0.00 41.96 41.22 1hqz s TYR 66 CO 0.13 -0.20 -0.15 0.20 -1.11 0.00 0.00 175.55 174.42 1hqz s GLY 67 N 0.97 1.59 -0.06 0.71 0.00 0.01 -0.93 107.32 109.61 1hqz s GLY 67 Ca -0.10 -1.12 0.02 0.00 0.00 0.00 0.00 44.72 43.52 1hqz s GLY 67 CO -0.00 -0.99 -0.11 -2.27 0.00 0.00 0.00 173.10 169.73 1hqz s LEU 68 N -1.30 1.59 -0.09 0.66 2.96 0.21 0.86 118.68 123.57 1hqz s LEU 68 Ca 0.15 -0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 53.72 1hqz s LEU 68 Cb -0.11 -0.77 0.03 0.00 0.50 0.00 0.00 46.19 45.85 1hqz s LEU 68 CO 0.05 0.02 0.22 0.00 -1.32 0.00 0.00 176.35 175.32 1hqz s ALA 69 N 0.73 -0.53 -0.21 5.97 0.00 0.31 -0.20 121.76 127.83 1hqz s ALA 69 Ca -0.13 0.78 -0.14 0.00 0.00 0.00 0.00 51.96 52.47 1hqz s ALA 69 Cb -0.15 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.44 1hqz s ALA 69 CO 0.03 -0.15 0.31 0.50 0.00 0.00 0.00 175.76 176.45 1hqz s ARG 70 N 0.68 4.15 0.09 0.00 3.52 0.24 -0.12 118.95 127.51 1hqz s ARG 70 Ca -0.05 0.03 0.03 0.00 -0.13 0.00 0.00 55.73 55.61 1hqz s ARG 70 Cb -0.06 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 1hqz s ARG 70 CO -0.04 0.02 -0.09 0.08 -0.81 0.00 0.00 175.30 174.46 1hqz s VAL 71 N 1.15 0.87 -1.00 7.11 1.01 0.15 -4.78 120.40 124.90 1hqz s VAL 71 Ca 0.15 -1.61 -0.04 0.00 0.00 0.00 0.00 61.98 60.47 1hqz s VAL 71 Cb -0.14 -1.32 0.27 0.00 0.00 0.00 0.00 36.38 35.20 1hqz s VAL 71 CO 0.06 -0.58 1.13 -1.20 0.00 0.00 0.00 175.10 174.52 1hqz n SER 72 N 0.59 5.35 -3.58 3.32 7.64 -1.26 0.35 113.62 126.03 1hqz n SER 72 Ca -0.16 -3.24 -0.23 0.00 1.01 0.00 0.00 58.87 56.25 1hqz n SER 72 Cb 0.58 -1.19 0.20 0.00 -1.01 0.00 0.00 64.21 62.78 1hqz n SER 72 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1hqz n PRO 73 N 1.92 -3.00 -0.45 1.43 -0.04 -1.22 -4.87 135.00 128.75 1hqz n PRO 73 Ca 0.25 -0.89 -0.25 0.00 -0.04 0.00 0.00 63.50 62.57 1hqz n PRO 73 Cb 0.37 -1.65 0.21 0.00 -0.04 0.00 0.00 33.50 32.39 1hqz n PRO 73 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1hqz n PRO 74 N -3.10 -3.00 0.00 0.54 -0.02 -1.26 -4.54 135.00 123.61 1hqz n PRO 74 Ca 0.08 -0.88 0.00 0.00 -2.02 0.00 0.00 63.50 60.67 1hqz n PRO 74 Cb 0.45 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1hqz n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hqz n GLY 75 N 2.08 1.22 3.88 -1.23 0.00 -1.26 -4.68 105.19 105.20 1hqz n GLY 75 Ca 0.07 0.25 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 1hqz n GLY 75 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hqz s SER 76 N -4.00 6.16 0.00 1.61 1.04 -1.26 -4.97 113.70 112.28 1hqz s SER 76 Ca 0.00 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1hqz s SER 76 Cb 0.00 -1.86 0.00 0.00 0.10 0.00 0.00 66.02 64.26 1hqz s SER 76 CO 0.00 0.19 0.39 -0.90 0.98 0.00 0.00 173.24 173.90 1hqz n ASP 77 N 0.50 1.12 -4.78 7.02 3.85 -1.26 -4.68 116.55 118.32 1hqz n ASP 77 Ca -0.07 -0.81 -0.34 0.00 -0.71 0.00 0.00 54.79 52.86 1hqz n ASP 77 Cb 0.51 -0.20 0.02 0.00 -1.35 0.00 0.00 41.12 40.10 1hqz n ASP 77 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1hqz s VAL 78 N 0.83 3.42 -0.17 2.12 1.01 -1.26 -4.91 120.40 121.44 1hqz s VAL 78 Ca 0.00 0.74 -0.04 0.00 0.00 0.00 0.00 61.98 62.68 1hqz s VAL 78 Cb 0.00 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 1hqz s VAL 78 CO 0.00 -0.33 -0.02 -1.61 0.00 0.00 0.00 175.10 173.14 1hqz s GLU 79 N -3.78 3.69 0.26 2.72 2.02 -1.26 -3.45 118.70 118.90 1hqz s GLU 79 Ca 0.68 -0.50 0.11 0.00 0.02 0.00 0.00 54.97 55.27 1hqz s GLU 79 Cb -0.20 -2.98 -0.05 0.00 0.10 0.00 0.00 34.13 31.00 1hqz s GLU 79 CO 0.34 0.19 -0.11 0.15 0.02 0.00 0.00 175.26 175.85 1hqz s LYS 80 N 0.51 1.96 -0.15 1.61 3.01 0.16 -4.89 119.74 121.94 1hqz s LYS 80 Ca -0.02 -1.57 -0.03 0.00 -1.01 0.00 0.00 55.97 53.33 1hqz s LYS 80 Cb -0.14 -1.97 -0.03 0.00 -1.01 0.00 0.00 37.83 34.69 1hqz s LYS 80 CO 0.02 0.36 -0.03 0.42 0.51 0.00 0.00 175.35 176.63 1hqz s ILE 81 N -2.33 3.96 0.02 2.17 -1.09 -1.26 0.29 121.20 122.96 1hqz s ILE 81 Ca 0.30 -0.34 0.09 0.00 -2.23 0.00 0.00 60.65 58.46 1hqz s ILE 81 Cb -0.06 -2.72 -0.03 0.00 -1.58 0.00 0.00 42.46 38.07 1hqz s ILE 81 CO 0.17 0.51 -0.26 -0.51 -1.23 0.00 0.00 174.94 173.62 1hqz s ILE 82 N 0.21 2.15 -0.03 2.92 2.07 0.83 -0.22 121.20 129.12 1hqz s ILE 82 Ca -0.02 -1.26 0.07 0.00 -1.41 0.00 0.00 60.65 58.03 1hqz s ILE 82 Cb -0.14 -1.80 -0.01 0.00 0.13 0.00 0.00 42.46 40.64 1hqz s ILE 82 CO 0.03 0.45 -0.24 -0.51 -1.91 0.00 0.00 174.94 172.76 1hqz s ILE 83 N -0.73 1.92 -0.10 2.00 2.07 0.02 -0.53 121.20 125.84 1hqz s ILE 83 Ca 0.11 -1.02 0.03 0.00 -1.41 0.00 0.00 60.65 58.36 1hqz s ILE 83 Cb -0.10 -1.61 0.01 0.00 0.13 0.00 0.00 42.46 40.89 1hqz s ILE 83 CO 0.01 0.54 -0.21 -0.63 -1.91 0.00 0.00 174.94 172.74 1hqz s ILE 84 N -0.38 1.83 -0.45 2.00 1.01 0.25 -1.28 121.20 124.19 1hqz s ILE 84 Ca 0.04 -0.87 -0.12 0.00 0.00 0.00 0.00 60.65 59.69 1hqz s ILE 84 Cb -0.11 -1.61 0.08 0.00 0.01 0.00 0.00 42.46 40.83 1hqz s ILE 84 CO 0.01 0.51 0.33 -0.83 0.00 0.00 0.00 174.94 174.96 1hqz s GLY 85 N 0.56 2.01 -0.42 6.18 0.00 0.50 -0.81 107.32 115.33 1hqz s GLY 85 Ca -0.15 -2.16 -0.17 0.00 0.00 0.00 0.00 44.72 42.24 1hqz s GLY 85 CO 0.05 1.02 0.41 0.86 0.00 0.00 0.00 173.10 175.44 1hqz s TRP 86 N 1.52 3.18 -0.57 1.90 -0.11 -0.13 -0.45 118.94 124.29 1hqz s TRP 86 Ca 0.04 -0.44 0.04 0.00 1.22 0.00 0.00 56.10 56.95 1hqz s TRP 86 Cb -0.24 -2.86 0.16 0.00 -1.50 0.00 0.00 33.47 29.03 1hqz s TRP 86 CO 0.04 -0.69 0.38 0.00 -4.62 0.00 0.00 176.95 172.06 1hqz s PRO 88 N -0.63 3.52 0.39 0.00 0.04 -1.25 -4.43 135.00 132.63 1hqz s PRO 88 Ca 0.24 1.21 0.07 0.00 0.04 0.00 0.00 61.00 62.56 1hqz s PRO 88 Cb -0.10 -2.06 0.81 0.00 0.04 0.00 0.00 34.50 33.19 1hqz s PRO 88 CO -0.11 -0.64 1.99 -0.44 0.04 0.00 0.00 177.00 177.83 1hqz h ASP 89 N 0.77 0.57 0.36 6.66 3.32 -1.79 -2.26 116.42 124.06 1hqz h ASP 89 Ca -0.47 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1hqz h ASP 89 Cb 1.22 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.64 1hqz h ASP 89 CO 0.58 0.38 0.00 -1.20 -1.72 0.00 0.00 179.24 177.28 1hqz n SER 90 N -4.47 0.00 -4.77 6.45 7.64 -1.23 -4.82 113.62 112.42 1hqz n SER 90 Ca 0.08 -0.25 -0.33 0.00 1.01 0.00 0.00 58.87 59.38 1hqz n SER 90 Cb 0.20 -0.22 0.05 0.00 -1.01 0.00 0.00 64.21 63.23 1hqz n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hqz s ALA 91 N -2.43 2.46 0.40 -0.43 0.00 -0.85 -4.72 121.76 116.18 1hqz s ALA 91 Ca 0.28 0.61 -0.26 0.00 0.00 0.00 0.00 51.96 52.58 1hqz s ALA 91 Cb 0.17 -3.34 -0.11 0.00 0.00 0.00 0.00 23.12 19.85 1hqz s ALA 91 CO 0.37 -1.28 1.27 -2.30 0.00 0.00 0.00 175.76 173.81 1hqz n PRO 92 N -2.33 1.98 -0.24 0.00 -0.02 -1.26 -4.79 135.00 128.34 1hqz n PRO 92 Ca 0.11 0.70 -0.07 0.00 -2.02 0.00 0.00 63.50 62.22 1hqz n PRO 92 Cb 0.52 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 1hqz n PRO 92 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1hqz h LEU 93 N 2.22 -1.47 -1.31 2.45 5.85 -1.92 -1.32 115.31 119.81 1hqz h LEU 93 Ca -0.47 0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1hqz h LEU 93 Cb 1.29 0.69 -0.02 0.00 0.37 0.00 0.00 40.66 42.99 1hqz h LEU 93 CO 0.61 -0.32 0.23 0.11 -0.34 0.00 0.00 178.44 178.73 1hqz h LYS 94 N -0.17 0.70 -0.13 1.25 1.57 -1.98 0.21 116.57 118.02 1hqz h LYS 94 Ca 0.21 -0.09 -0.16 0.00 -1.87 0.00 0.00 60.65 58.74 1hqz h LYS 94 Cb 0.56 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1hqz h LYS 94 CO -0.74 0.55 -0.60 1.79 -0.57 0.00 0.00 179.45 179.89 1hqz h THR 95 N 0.70 1.35 -0.30 -0.16 1.35 -1.73 -2.05 112.91 112.08 1hqz h THR 95 Ca 0.18 -1.91 -0.13 0.00 -0.55 0.00 0.00 66.41 64.00 1hqz h THR 95 Cb 0.09 1.90 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 1hqz h THR 95 CO -0.02 0.58 -0.33 0.03 -0.25 0.00 0.00 175.52 175.53 1hqz h ARG 96 N 0.32 0.66 0.00 4.72 3.08 -0.62 -1.54 114.38 121.00 1hqz h ARG 96 Ca -0.00 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1hqz h ARG 96 Cb 1.13 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.17 1hqz h ARG 96 CO 0.10 0.90 0.00 0.00 -1.07 0.00 0.00 179.97 179.90 1hqz h ALA 97 N 1.08 1.00 -0.01 0.04 0.00 -0.75 -2.18 119.26 118.44 1hqz h ALA 97 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1hqz h ALA 97 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1hqz h ALA 97 CO 0.07 0.00 -0.47 0.43 0.00 0.00 0.00 179.25 179.28 1hqz n SER 98 N -2.45 1.71 -0.03 0.00 7.64 -0.79 -4.70 113.62 115.01 1hqz n SER 98 Ca 0.02 -1.36 -0.09 0.00 1.01 0.00 0.00 58.87 58.45 1hqz n SER 98 Cb 0.25 0.55 -0.03 0.00 -1.01 0.00 0.00 64.21 63.97 1hqz n SER 98 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1hqz h PHE 99 N 1.85 -0.74 -0.41 1.43 3.57 -0.62 -0.48 116.94 121.53 1hqz h PHE 99 Ca 0.00 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.61 1hqz h PHE 99 Cb 0.63 0.36 -0.06 0.00 2.79 0.00 0.00 35.95 39.67 1hqz h PHE 99 CO 0.00 -0.35 0.06 0.00 -2.23 0.00 0.00 178.31 175.79 1hqz h ALA 100 N 0.64 0.43 -0.34 2.41 0.00 -1.84 0.28 119.26 120.85 1hqz h ALA 100 Ca 0.12 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1hqz h ALA 100 Cb 0.49 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1hqz h ALA 100 CO -0.37 -0.34 -0.05 0.00 0.00 0.00 0.00 179.25 178.49 1hqz h ALA 101 N 1.32 0.46 -0.27 0.00 0.00 -1.84 -1.09 119.26 117.85 1hqz h ALA 101 Ca 0.20 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1hqz h ALA 101 Cb 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1hqz h ALA 101 CO -0.28 0.27 -0.33 -0.91 0.00 0.00 0.00 179.25 178.00 1hqz h ASN 102 N 0.42 0.59 -0.31 0.00 2.35 -0.74 -0.76 115.58 117.13 1hqz h ASN 102 Ca 0.09 -0.23 -0.13 0.00 -0.55 0.00 0.00 56.30 55.47 1hqz h ASN 102 Cb 0.53 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 1hqz h ASN 102 CO 0.03 0.87 -0.33 0.15 -1.65 0.00 0.00 177.43 176.50 1hqz h PHE 103 N 0.48 0.92 -0.61 1.19 3.57 -0.43 -0.66 116.94 121.41 1hqz h PHE 103 Ca 0.06 -0.29 0.05 0.00 3.53 0.00 0.00 57.97 61.32 1hqz h PHE 103 Cb 0.80 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.30 1hqz h PHE 103 CO 0.03 1.06 0.33 0.00 -2.23 0.00 0.00 178.31 177.50 1hqz h ALA 104 N 0.71 0.81 -0.71 2.41 0.00 -0.99 -0.43 119.26 121.06 1hqz h ALA 104 Ca 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1hqz h ALA 104 Cb 0.92 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1hqz h ALA 104 CO 0.08 0.01 0.37 0.00 0.00 0.00 0.00 179.25 179.71 1hqz h ALA 105 N 1.32 0.91 -0.50 0.00 0.00 -0.82 -0.83 119.26 119.35 1hqz h ALA 105 Ca 0.27 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1hqz h ALA 105 Cb 0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1hqz h ALA 105 CO -0.17 0.44 -0.18 0.28 0.00 0.00 0.00 179.25 179.62 1hqz h VAL 106 N 0.98 1.27 -0.40 0.00 2.07 -0.59 0.22 116.25 119.80 1hqz h VAL 106 Ca 0.25 -1.34 -0.09 0.00 0.82 0.00 0.00 66.70 66.34 1hqz h VAL 106 Cb 0.07 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1hqz h VAL 106 CO -0.04 0.47 -0.11 0.00 0.02 0.00 0.00 177.57 177.91 1hqz h ALA 107 N 0.88 1.06 0.00 1.67 0.00 -0.86 0.78 119.26 122.78 1hqz h ALA 107 Ca 0.12 -0.30 -0.25 0.00 0.00 0.00 0.00 54.91 54.48 1hqz h ALA 107 Cb 0.76 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1hqz h ALA 107 CO 0.06 0.58 -1.63 0.09 0.00 0.00 0.00 179.25 178.34 1hqz n ASN 108 N -4.17 0.82 0.00 0.00 3.02 -0.34 -4.19 115.26 110.40 1hqz n ASN 108 Ca 0.01 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.94 1hqz n ASN 108 Cb 0.35 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 1hqz n ASN 108 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1hqz n ASN 109 N -2.97 0.41 0.01 6.41 3.02 0.76 -4.84 115.26 118.05 1hqz n ASN 109 Ca -0.15 -0.70 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 1hqz n ASN 109 Cb 0.97 0.49 0.00 0.00 -0.61 0.00 0.00 39.78 40.63 1hqz n ASN 109 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1hqz n LEU 110 N -0.49 0.14 -2.82 3.41 7.94 -0.70 -4.85 117.00 119.63 1hqz n LEU 110 Ca 0.00 0.02 -0.31 0.00 -1.11 0.00 0.00 56.01 54.61 1hqz n LEU 110 Cb 0.01 -0.04 -0.05 0.00 0.53 0.00 0.00 43.42 43.87 1hqz n LEU 110 CO 0.00 -0.53 1.93 0.49 -1.11 0.00 0.00 177.39 178.17 1hqz n PHE 111 N -2.63 1.83 -2.06 1.96 0.99 0.18 -4.98 117.46 112.75 1hqz n PHE 111 Ca 0.00 -2.25 -0.36 0.00 -0.00 0.00 0.00 57.45 54.84 1hqz n PHE 111 Cb 0.00 -1.60 0.02 0.00 -1.00 0.00 0.00 39.48 36.91 1hqz n PHE 111 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1hqz s LYS 112 N -1.15 3.20 0.00 -1.08 1.02 -1.26 -3.77 119.74 116.70 1hqz s LYS 112 Ca 0.58 1.84 0.00 0.00 0.02 0.00 0.00 55.97 58.42 1hqz s LYS 112 Cb 0.30 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.54 1hqz s LYS 112 CO -0.16 -1.03 0.00 0.41 -0.92 0.00 0.00 175.35 173.66 1hqz n GLY 113 N 0.48 0.82 3.79 -3.33 0.00 -1.26 -5.02 105.19 100.67 1hqz n GLY 113 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1hqz n GLY 113 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1hqz s TYR 114 N -2.09 2.84 -0.15 1.61 -0.85 -1.25 -4.75 117.35 112.72 1hqz s TYR 114 Ca 0.00 1.55 0.15 0.00 -0.52 0.00 0.00 57.07 58.25 1hqz s TYR 114 Cb 0.00 -3.15 -0.21 0.00 0.38 0.00 0.00 41.96 38.99 1hqz s TYR 114 CO 0.00 -1.22 0.08 0.72 -1.52 0.00 0.00 175.55 173.61 1hqz n HIS 115 N -1.38 0.00 -4.40 -3.49 8.25 0.70 -4.97 115.22 109.93 1hqz n HIS 115 Ca 0.10 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.36 1hqz n HIS 115 Cb 0.52 -0.78 -0.15 0.00 1.12 0.00 0.00 29.99 30.70 1hqz n HIS 115 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1hqz s VAL 116 N -2.45 0.77 -0.07 1.59 1.01 -0.73 -5.02 120.40 115.51 1hqz s VAL 116 Ca -0.08 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.56 1hqz s VAL 116 Cb 0.05 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1hqz s VAL 116 CO 0.67 0.23 -0.21 -1.58 0.00 0.00 0.00 175.10 174.21 1hqz s GLN 117 N 0.02 2.73 -0.05 2.72 0.74 -1.26 -0.80 119.66 123.76 1hqz s GLN 117 Ca -0.00 -0.84 0.02 0.00 0.05 0.00 0.00 55.36 54.59 1hqz s GLN 117 Cb -0.06 -2.28 0.02 0.00 1.10 0.00 0.00 33.01 31.78 1hqz s GLN 117 CO 0.00 0.37 -0.08 0.08 -0.55 0.00 0.00 175.29 175.11 1hqz s VAL 118 N -0.11 0.78 -0.26 1.34 1.01 -0.40 -4.97 120.40 117.79 1hqz s VAL 118 Ca -0.04 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 1hqz s VAL 118 Cb -0.14 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1hqz s VAL 118 CO 0.04 0.27 0.15 -0.89 0.00 0.00 0.00 175.10 174.68 1hqz s THR 119 N 0.76 5.07 -0.02 3.92 2.01 -1.26 -0.37 115.64 125.75 1hqz s THR 119 Ca -0.12 0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.02 1hqz s THR 119 Cb -0.15 -3.39 -0.01 0.00 0.01 0.00 0.00 72.50 68.96 1hqz s THR 119 CO 0.02 0.29 -0.18 0.00 -0.69 0.00 0.00 174.62 174.06 1hqz s ALA 120 N 1.55 1.49 -0.18 7.40 0.00 0.40 -4.95 121.76 127.47 1hqz s ALA 120 Ca 0.07 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.28 1hqz s ALA 120 Cb -0.15 -0.38 -0.12 0.00 0.00 0.00 0.00 23.12 22.46 1hqz s ALA 120 CO 0.08 0.36 -0.14 -2.13 0.00 0.00 0.00 175.76 173.93 1hqz n ARG 121 N 2.66 0.57 -4.10 0.00 0.63 -1.26 -0.80 116.66 114.36 1hqz n ARG 121 Ca -0.15 0.09 -0.12 0.00 -0.92 0.00 0.00 57.85 56.75 1hqz n ARG 121 Cb 0.54 -1.36 -0.06 0.00 0.45 0.00 0.00 32.46 32.02 1hqz n ARG 121 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 1hqz s ASP 122 N -5.65 0.37 0.57 6.15 1.47 -1.26 -3.91 116.67 114.41 1hqz s ASP 122 Ca -0.23 -1.27 0.31 0.00 1.18 0.00 0.00 52.55 52.54 1hqz s ASP 122 Cb 0.06 0.55 1.44 0.00 -0.34 0.00 0.00 42.92 44.64 1hqz s ASP 122 CO 0.43 -1.10 1.83 -0.08 0.68 0.00 0.00 175.17 176.93 1hqz h GLU 123 N 2.31 0.00 0.00 2.11 4.57 -1.94 0.28 114.58 121.90 1hqz h GLU 123 Ca -0.29 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.87 1hqz h GLU 123 Cb 1.25 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1hqz h GLU 123 CO 0.41 0.00 -0.06 -0.44 -1.18 0.00 0.00 179.01 177.74 1hqz h ASP 124 N 0.00 0.00 0.67 1.04 3.45 -1.99 -0.93 116.42 118.65 1hqz h ASP 124 Ca 0.35 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.81 1hqz h ASP 124 Cb 1.65 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.42 1hqz h ASP 124 CO -0.00 0.06 -0.17 0.47 -1.57 0.00 0.00 179.24 178.03 1hqz n ASP 125 N -3.41 0.27 -3.16 6.45 8.00 0.98 -4.18 116.55 121.50 1hqz n ASP 125 Ca -0.02 -0.03 -0.23 0.00 0.71 0.00 0.00 54.79 55.22 1hqz n ASP 125 Cb 0.20 -0.16 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 1hqz n ASP 125 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hqz n LEU 126 N -1.34 2.12 -4.61 0.64 -0.00 -0.36 -4.87 117.00 108.58 1hqz n LEU 126 Ca 0.09 -5.19 -0.41 0.00 -0.00 0.00 0.00 56.01 50.50 1hqz n LEU 126 Cb 0.32 0.14 -0.06 0.00 -0.00 0.00 0.00 43.42 43.82 1hqz n LEU 126 CO 0.28 2.22 0.48 -1.81 -0.00 0.00 0.00 177.39 178.57 1hqz s ASP 127 N -2.44 6.60 0.20 1.45 1.01 -1.24 -4.92 116.67 117.33 1hqz s ASP 127 Ca 0.41 0.62 -0.22 0.00 0.71 0.00 0.00 52.55 54.07 1hqz s ASP 127 Cb 0.26 -2.37 0.12 0.00 1.01 0.00 0.00 42.92 41.94 1hqz s ASP 127 CO -0.09 -0.51 1.55 -0.08 0.21 0.00 0.00 175.17 176.25 1hqz h GLU 128 N 8.06 -0.04 -0.45 8.23 4.81 -1.96 0.18 114.58 133.41 1hqz h GLU 128 Ca -0.25 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.06 1hqz h GLU 128 Cb 1.11 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.42 1hqz h GLU 128 CO 0.83 -0.03 -0.00 -2.95 -0.73 0.00 0.00 179.01 176.13 1hqz h ASN 129 N -0.04 -0.19 -0.35 1.04 -1.07 -1.99 0.23 115.58 113.21 1hqz h ASN 129 Ca 0.27 0.11 -0.03 0.00 0.07 0.00 0.00 56.30 56.71 1hqz h ASN 129 Cb 0.54 0.19 -0.01 0.00 -2.07 0.00 0.00 38.32 36.97 1hqz h ASN 129 CO -0.92 -0.06 0.10 -0.33 0.07 0.00 0.00 177.43 176.29 1hqz h GLU 130 N 0.11 0.55 -0.21 4.14 5.08 -1.29 -2.60 114.58 120.36 1hqz h GLU 130 Ca 0.22 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 1hqz h GLU 130 Cb 0.32 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1hqz h GLU 130 CO -0.37 0.58 -0.25 -0.07 -1.00 0.00 0.00 179.01 177.90 1hqz h LEU 131 N 0.41 0.58 -2.11 1.33 3.38 -0.38 -2.67 115.31 115.86 1hqz h LEU 131 Ca 0.11 -0.49 0.08 0.00 0.09 0.00 0.00 57.88 57.66 1hqz h LEU 131 Cb 0.27 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1hqz h LEU 131 CO -0.00 0.96 0.23 -0.07 0.09 0.00 0.00 178.44 179.65 1hqz h LEU 132 N 0.22 0.00 0.73 1.67 3.38 -0.56 0.41 115.31 121.15 1hqz h LEU 132 Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1hqz h LEU 132 Cb 0.81 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.57 1hqz h LEU 132 CO 0.06 0.00 -0.35 -0.03 0.09 0.00 0.00 178.44 178.21 1hqz h MET 133 N 0.00 -0.95 -0.52 1.13 4.05 -1.13 -3.17 114.93 114.34 1hqz h MET 133 Ca 0.13 0.06 0.07 0.00 -0.28 0.00 0.00 59.70 59.68 1hqz h MET 133 Cb 0.58 0.22 -0.06 0.00 -0.80 0.00 0.00 31.60 31.54 1hqz h MET 133 CO -0.00 -0.61 0.21 0.87 0.23 0.00 0.00 176.91 177.60 1hqz h LYS 134 N -1.21 0.39 0.00 0.39 1.57 -0.86 -3.47 116.57 113.39 1hqz h LYS 134 Ca -0.10 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1hqz h LYS 134 Cb 0.77 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1hqz h LYS 134 CO 0.16 0.26 0.00 -0.89 -0.57 0.00 0.00 179.45 178.41