#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqz s ILE 6 N 0.00 3.94 -0.42 4.25 2.07 -1.26 -5.03 121.20 124.75 1hqz s ILE 6 Ca 0.00 1.64 -0.06 0.00 -1.41 0.00 0.00 60.65 60.83 1hqz s ILE 6 Cb 0.00 -3.93 0.10 0.00 0.13 0.00 0.00 42.46 38.76 1hqz s ILE 6 CO 0.00 0.16 0.24 -0.62 -1.91 0.00 0.00 174.94 172.81 1hqz s ASP 7 N -1.46 5.42 -0.12 4.50 2.15 -1.26 -4.86 116.67 121.04 1hqz s ASP 7 Ca 0.51 -1.84 0.17 0.00 0.43 0.00 0.00 52.55 51.82 1hqz s ASP 7 Cb -0.22 -1.90 0.26 0.00 -0.30 0.00 0.00 42.92 40.76 1hqz s ASP 7 CO 0.28 -0.56 1.13 0.00 -0.17 0.00 0.00 175.17 175.85 1hqz n TYR 8 N 4.74 0.00 -0.10 -5.34 0.18 -1.26 -1.28 117.16 114.10 1hqz n TYR 8 Ca -0.06 -0.90 -0.14 0.00 1.88 0.00 0.00 57.90 58.68 1hqz n TYR 8 Cb 0.42 -0.14 -0.09 0.00 -0.38 0.00 0.00 39.34 39.14 1hqz n TYR 8 CO 0.00 0.00 0.00 2.41 -2.08 0.00 0.00 176.86 177.19 1hqz n THR 9 N -1.29 1.15 -0.30 -3.48 -1.04 -1.26 -3.88 114.28 104.17 1hqz n THR 9 Ca 0.14 -0.44 0.14 0.00 -2.04 0.00 0.00 64.05 61.85 1hqz n THR 9 Cb 0.64 -1.22 0.30 0.00 -1.82 0.00 0.00 70.33 68.24 1hqz n THR 9 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1hqz h THR 10 N -0.01 0.31 -0.65 12.58 2.02 -1.90 0.27 112.91 125.52 1hqz h THR 10 Ca -0.45 -0.07 -0.38 0.00 0.77 0.00 0.00 66.41 66.28 1hqz h THR 10 Cb 1.69 0.08 -0.22 0.00 -1.74 0.00 0.00 68.15 67.96 1hqz h THR 10 CO -0.07 0.04 0.15 1.41 0.37 0.00 0.00 175.52 177.41 1hqz n HIS 11 N -5.22 2.07 -0.33 3.16 8.25 -1.26 -4.69 115.22 117.19 1hqz n HIS 11 Ca 0.22 -1.95 0.09 0.00 -0.26 0.00 0.00 57.72 55.82 1hqz n HIS 11 Cb 0.70 -0.73 0.26 0.00 1.12 0.00 0.00 29.99 31.35 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 1.28 0.74 -0.08 0.41 4.64 -0.57 -0.95 113.55 119.03 1hqz h SER 12 Ca 0.40 0.08 0.03 0.00 -0.47 0.00 0.00 61.79 61.82 1hqz h SER 12 Cb 1.81 -0.05 -0.06 0.00 -0.31 0.00 0.00 62.40 63.79 1hqz h SER 12 CO 0.78 0.32 -0.53 -0.09 -0.87 0.00 0.00 176.83 176.44 1hqz h ARG 13 N 0.78 -0.59 0.08 4.77 9.65 -1.83 1.04 114.38 128.28 1hqz h ARG 13 Ca 0.51 0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 59.43 1hqz h ARG 13 Cb 0.69 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.41 1hqz h ARG 13 CO -0.34 -0.39 -0.04 0.93 2.80 0.00 0.00 179.97 182.93 1hqz h GLU 14 N -0.61 -0.11 0.64 0.20 3.07 -1.79 -2.71 114.58 113.27 1hqz h GLU 14 Ca 0.02 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1hqz h GLU 14 Cb 0.69 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 1hqz h GLU 14 CO -0.40 0.09 -0.35 0.82 -1.40 0.00 0.00 179.01 177.77 1hqz h ILE 15 N -0.29 0.29 -0.79 3.13 2.04 -0.94 -3.04 117.51 117.92 1hqz h ILE 15 Ca -0.01 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.96 1hqz h ILE 15 Cb 0.24 0.29 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 1hqz h ILE 15 CO 0.02 0.00 0.51 0.44 0.00 0.00 0.00 178.15 179.12 1hqz h ASP 16 N -0.91 0.60 0.11 1.72 3.32 0.11 0.99 116.42 122.35 1hqz h ASP 16 Ca -0.08 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1hqz h ASP 16 Cb 0.72 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1hqz h ASP 16 CO 0.11 0.34 -0.05 0.00 -1.72 0.00 0.00 179.24 177.92 1hqz h ALA 17 N 1.61 -0.15 -0.67 3.45 0.00 -1.41 0.91 119.26 123.01 1hqz h ALA 17 Ca 0.37 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 1hqz h ALA 17 Cb 0.54 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1hqz h ALA 17 CO -0.14 -0.55 0.15 0.93 0.00 0.00 0.00 179.25 179.64 1hqz h GLU 18 N -0.22 1.09 -0.32 0.00 4.39 -1.31 -2.11 114.58 116.10 1hqz h GLU 18 Ca -0.02 -0.27 0.05 0.00 0.34 0.00 0.00 59.36 59.46 1hqz h GLU 18 Cb 0.18 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.65 1hqz h GLU 18 CO 0.02 0.98 0.03 -0.92 -1.16 0.00 0.00 179.01 177.96 1hqz h TYR 19 N 1.01 0.04 -0.42 4.33 3.20 -0.54 -2.50 116.97 122.09 1hqz h TYR 19 Ca 0.21 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.01 1hqz h TYR 19 Cb 0.39 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 1hqz h TYR 19 CO 0.03 -0.02 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.35 1hqz h LEU 20 N 0.13 0.74 -0.78 2.82 3.38 -0.60 -1.66 115.31 119.34 1hqz h LEU 20 Ca 0.15 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1hqz h LEU 20 Cb 0.19 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1hqz h LEU 20 CO -0.23 0.87 0.48 0.11 0.09 0.00 0.00 178.44 179.77 1hqz h LYS 21 N 0.68 0.88 -0.01 1.13 1.57 -1.09 -0.75 116.57 118.99 1hqz h LYS 21 Ca 0.12 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1hqz h LYS 21 Cb 0.58 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1hqz h LYS 21 CO 0.04 0.58 -0.02 0.82 -0.57 0.00 0.00 179.45 180.30 1hqz h ILE 22 N 0.91 1.50 0.00 1.86 2.04 -1.22 0.17 117.51 122.78 1hqz h ILE 22 Ca 0.33 -1.51 -0.03 0.00 1.00 0.00 0.00 64.86 64.64 1hqz h ILE 22 Cb 0.10 2.52 -0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1hqz h ILE 22 CO -0.15 0.40 -0.17 -0.37 0.00 0.00 0.00 178.15 177.86 1hqz h VAL 23 N -0.60 0.60 0.00 1.67 -1.51 -1.24 -2.68 116.25 112.50 1hqz h VAL 23 Ca -0.00 -0.75 0.00 0.00 -1.23 0.00 0.00 66.70 64.72 1hqz h VAL 23 Cb 0.66 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 1hqz h VAL 23 CO 0.00 0.16 -1.17 0.54 -1.23 0.00 0.00 177.57 175.88 1hqz n ARG 24 N -3.59 0.44 -3.20 5.19 1.74 -0.29 -4.98 116.66 111.97 1hqz n ARG 24 Ca -0.01 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 1hqz n ARG 24 Cb 0.30 -1.65 0.05 0.00 -1.02 0.00 0.00 32.46 30.14 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 1.30 -0.24 0.45 -0.13 0.00 0.50 -4.92 105.19 102.16 1hqz n GLY 25 Ca 0.00 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.91 1.41 -3.32 1.61 3.41 -0.59 -4.77 113.62 109.46 1hqz n SER 26 Ca -0.03 -1.49 -0.07 0.00 -0.26 0.00 0.00 58.87 57.03 1hqz n SER 26 Cb 0.56 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.96 0.00 0.55 4.04 2.15 -1.26 -5.03 116.67 115.16 1hqz s ASP 27 Ca 0.38 0.27 0.24 0.00 0.43 0.00 0.00 52.55 53.87 1hqz s ASP 27 Cb 0.21 1.28 1.44 0.00 -0.30 0.00 0.00 42.92 45.55 1hqz s ASP 27 CO 0.33 -0.30 2.06 -0.65 -0.17 0.00 0.00 175.17 176.44 1hqz h PRO 28 N 8.15 0.00 0.00 4.34 0.11 -1.96 -1.14 132.00 141.51 1hqz h PRO 28 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 1hqz h PRO 28 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1hqz h PRO 28 CO 0.27 0.00 0.00 -0.44 -0.21 0.00 0.00 178.00 177.62 1hqz h ASP 29 N 0.00 0.00 -3.38 -2.05 3.45 -1.96 -3.41 116.42 109.07 1hqz h ASP 29 Ca 0.14 0.00 -0.61 0.00 0.43 0.00 0.00 57.03 56.99 1hqz h ASP 29 Cb 0.61 0.00 -0.40 0.00 -0.56 0.00 0.00 39.33 38.98 1hqz h ASP 29 CO -0.00 0.00 -0.74 -0.89 -1.57 0.00 0.00 179.24 176.04 1hqz s THR 30 N -3.41 1.34 -0.45 0.35 2.01 -0.43 -3.24 115.64 111.81 1hqz s THR 30 Ca 0.05 -1.93 0.05 0.00 0.31 0.00 0.00 61.69 60.17 1hqz s THR 30 Cb 0.08 -1.98 -0.01 0.00 0.01 0.00 0.00 72.50 70.59 1hqz s THR 30 CO 0.58 -0.72 0.41 0.35 -0.69 0.00 0.00 174.62 174.55 1hqz n THR 31 N 4.35 0.00 -3.99 -0.82 -2.24 0.46 -4.37 114.28 107.68 1hqz n THR 31 Ca 0.02 -0.43 -0.08 0.00 -2.27 0.00 0.00 64.05 61.29 1hqz n THR 31 Cb 0.40 1.05 -0.09 0.00 -2.10 0.00 0.00 70.33 69.59 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 -1.07 0.36 -0.09 4.78 1.48 -0.93 -0.30 118.94 123.16 1hqz s TRP 32 Ca 0.04 -0.84 -0.17 0.00 -1.06 0.00 0.00 56.10 54.06 1hqz s TRP 32 Cb 0.04 -0.25 0.04 0.00 -1.16 0.00 0.00 33.47 32.14 1hqz s TRP 32 CO 0.15 -0.44 0.43 -1.17 -4.06 0.00 0.00 176.95 171.86 1hqz s LEU 33 N -2.83 0.38 -0.06 -4.66 2.96 0.14 -2.85 118.68 111.76 1hqz s LEU 33 Ca 0.05 0.55 0.01 0.00 -0.22 0.00 0.00 54.13 54.52 1hqz s LEU 33 Cb 0.06 1.57 0.02 0.00 0.50 0.00 0.00 46.19 48.34 1hqz s LEU 33 CO -0.10 -0.34 -0.08 -0.63 -1.32 0.00 0.00 176.35 173.88 1hqz s ILE 34 N -0.60 0.86 -0.03 6.68 1.01 -0.62 -0.06 121.20 128.45 1hqz s ILE 34 Ca -0.07 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1hqz s ILE 34 Cb -0.03 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.56 1hqz s ILE 34 CO 0.03 0.30 -0.01 0.27 0.00 0.00 0.00 174.94 175.54 1hqz s ILE 35 N 0.96 4.10 0.06 2.92 -4.36 0.10 -0.82 121.20 124.15 1hqz s ILE 35 Ca -0.10 -0.53 0.01 0.00 -0.26 0.00 0.00 60.65 59.77 1hqz s ILE 35 Cb -0.15 -2.79 -0.03 0.00 1.25 0.00 0.00 42.46 40.74 1hqz s ILE 35 CO 0.00 0.45 -0.06 -0.55 0.24 0.00 0.00 174.94 175.02 1hqz s SER 36 N -1.33 0.80 0.11 4.36 0.15 -0.36 -2.30 113.70 115.13 1hqz s SER 36 Ca 0.17 -0.80 -0.30 0.00 0.70 0.00 0.00 55.95 55.72 1hqz s SER 36 Cb -0.11 0.10 -0.06 0.00 -1.71 0.00 0.00 66.02 64.24 1hqz s SER 36 CO 0.07 -0.39 1.01 -2.16 1.20 0.00 0.00 173.24 172.97 1hqz s PRO 37 N -2.84 4.65 0.40 5.44 0.04 -1.26 -1.62 135.00 139.80 1hqz s PRO 37 Ca 0.00 1.53 -0.04 0.00 0.04 0.00 0.00 61.00 62.53 1hqz s PRO 37 Cb -0.01 -3.36 0.09 0.00 0.04 0.00 0.00 34.50 31.26 1hqz s PRO 37 CO -0.04 0.13 0.54 0.27 0.04 0.00 0.00 177.00 177.95 1hqz n ASN 38 N 2.85 0.35 -0.15 6.66 0.23 0.30 -4.84 115.26 120.66 1hqz n ASN 38 Ca 0.03 -1.39 0.19 0.00 -0.53 0.00 0.00 54.58 52.89 1hqz n ASN 38 Cb 0.48 -0.39 0.58 0.00 -2.08 0.00 0.00 39.78 38.37 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 -1.19 2.32 -0.34 -2.53 0.00 -1.97 0.84 119.26 116.39 1hqz h ALA 39 Ca -0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1hqz h ALA 39 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1hqz h ALA 39 CO 0.16 -0.54 0.00 1.63 0.00 0.00 0.00 179.25 180.49 1hqz n LYS 40 N -4.44 3.25 -3.05 0.00 5.02 -1.26 -4.89 118.16 112.80 1hqz n LYS 40 Ca 0.15 -1.84 -0.22 0.00 -2.02 0.00 0.00 58.31 54.37 1hqz n LYS 40 Cb 0.65 -1.93 0.03 0.00 -0.02 0.00 0.00 35.03 33.76 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 0.38 -4.58 -4.38 1.97 5.02 0.29 -4.98 118.16 111.88 1hqz n LYS 41 Ca 0.16 0.85 -0.34 0.00 -2.02 0.00 0.00 58.31 56.96 1hqz n LYS 41 Cb 0.79 -5.68 -0.14 0.00 -0.02 0.00 0.00 35.03 29.98 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 -5.73 3.43 0.28 1.97 2.02 -1.26 -4.53 118.70 114.90 1hqz s GLU 42 Ca 0.31 -0.63 -0.29 0.00 0.02 0.00 0.00 54.97 54.38 1hqz s GLU 42 Cb -0.14 -2.82 -0.09 0.00 0.10 0.00 0.00 34.13 31.18 1hqz s GLU 42 CO 0.38 0.07 1.01 0.71 0.02 0.00 0.00 175.26 177.44 1hqz s TYR 43 N 0.77 3.73 0.20 1.61 1.51 -0.41 -0.54 117.35 124.22 1hqz s TYR 43 Ca -0.03 1.80 -0.21 0.00 -1.01 0.00 0.00 57.07 57.61 1hqz s TYR 43 Cb -0.15 -3.09 0.05 0.00 -0.11 0.00 0.00 41.96 38.66 1hqz s TYR 43 CO 0.02 -0.04 0.61 -1.83 -1.11 0.00 0.00 175.55 173.20 1hqz s GLU 44 N -1.55 1.44 0.24 -0.62 -1.05 -0.64 -4.45 118.70 112.07 1hqz s GLU 44 Ca 0.45 -0.71 -0.31 0.00 -0.15 0.00 0.00 54.97 54.25 1hqz s GLU 44 Cb -0.26 0.58 -0.13 0.00 -0.44 0.00 0.00 34.13 33.87 1hqz s GLU 44 CO 0.33 -0.63 1.45 -2.30 0.95 0.00 0.00 175.26 175.06 1hqz n PRO 45 N -0.39 2.13 -0.05 -4.83 -0.02 -1.26 -1.22 135.00 129.36 1hqz n PRO 45 Ca -0.12 0.76 -0.06 0.00 -2.02 0.00 0.00 63.50 62.06 1hqz n PRO 45 Cb 0.63 -2.44 -0.07 0.00 -0.02 0.00 0.00 33.50 31.59 1hqz n PRO 45 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1hqz n GLU 46 N 2.21 1.91 -3.52 -0.52 2.13 -0.00 -4.80 120.64 118.05 1hqz n GLU 46 Ca 0.12 0.01 -0.11 0.00 0.66 0.00 0.00 57.16 57.84 1hqz n GLU 46 Cb 0.32 -1.24 -0.04 0.00 0.27 0.00 0.00 31.44 30.75 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 -4.42 -0.45 0.18 4.31 1.04 -1.18 -5.03 113.70 108.15 1hqz s SER 47 Ca -0.08 0.25 -0.05 0.00 0.48 0.00 0.00 55.95 56.55 1hqz s SER 47 Cb 0.03 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 1hqz s SER 47 CO 0.36 -0.58 0.20 0.42 0.98 0.00 0.00 173.24 174.62 1hqz s THR 48 N -2.26 0.05 -0.02 2.02 -4.23 -1.26 -1.58 115.64 108.35 1hqz s THR 48 Ca -0.00 -1.71 -0.10 0.00 -1.18 0.00 0.00 61.69 58.70 1hqz s THR 48 Cb -0.01 -2.14 0.03 0.00 1.34 0.00 0.00 72.50 71.73 1hqz s THR 48 CO -0.03 -0.22 0.43 0.61 -0.54 0.00 0.00 174.62 174.87 1hqz n GLY 49 N -0.22 0.43 0.00 3.99 0.00 -1.13 -5.00 105.19 103.25 1hqz n GLY 49 Ca -0.03 -0.89 0.01 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.41 3.56 -4.64 1.61 3.41 -1.20 -0.40 113.62 115.54 1hqz n SER 50 Ca 0.02 -0.11 -0.40 0.00 -0.26 0.00 0.00 58.87 58.12 1hqz n SER 50 Cb 0.19 1.10 -0.07 0.00 -0.26 0.00 0.00 64.21 65.17 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 -2.10 6.55 0.26 4.04 0.15 -1.26 -4.71 113.70 116.63 1hqz s SER 51 Ca -0.01 0.67 -0.03 0.00 0.70 0.00 0.00 55.95 57.28 1hqz s SER 51 Cb 0.02 -2.31 0.35 0.00 -1.71 0.00 0.00 66.02 62.37 1hqz s SER 51 CO 0.11 -0.25 1.80 0.15 1.20 0.00 0.00 173.24 176.25 1hqz h PHE 52 N 7.68 0.92 -0.16 3.44 3.57 -1.94 -1.54 116.94 128.91 1hqz h PHE 52 Ca -0.31 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.13 1hqz h PHE 52 Cb 1.14 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.59 1hqz h PHE 52 CO 0.73 0.77 -0.03 1.25 -2.23 0.00 0.00 178.31 178.79 1hqz h HIS 53 N 0.85 -0.07 -0.24 0.41 2.76 -2.01 -2.44 115.15 114.42 1hqz h HIS 53 Ca 0.19 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1hqz h HIS 53 Cb 0.31 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 1hqz h HIS 53 CO 0.02 -0.06 0.13 -0.44 -1.30 0.00 0.00 177.93 176.28 1hqz h ASP 54 N 0.01 0.30 -0.86 3.26 3.32 -1.89 -3.08 116.42 117.48 1hqz h ASP 54 Ca 0.08 -0.08 0.13 0.00 0.02 0.00 0.00 57.03 57.18 1hqz h ASP 54 Cb 0.11 -0.08 -0.14 0.00 0.22 0.00 0.00 39.33 39.45 1hqz h ASP 54 CO -0.16 0.29 -0.40 0.15 -1.72 0.00 0.00 179.24 177.40 1hqz h PHE 55 N 0.28 -1.15 0.00 4.55 3.57 -0.94 0.29 116.94 123.54 1hqz h PHE 55 Ca 0.08 0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1hqz h PHE 55 Cb 0.06 0.63 0.00 0.00 2.79 0.00 0.00 35.95 39.42 1hqz h PHE 55 CO -0.04 -0.40 0.00 1.28 -2.23 0.00 0.00 178.31 176.92 1hqz n LEU 56 N -5.44 0.15 -0.52 0.59 4.77 -0.95 -1.73 117.00 113.87 1hqz n LEU 56 Ca 0.07 0.56 0.06 0.00 -0.03 0.00 0.00 56.01 56.67 1hqz n LEU 56 Cb 0.37 -0.57 0.06 0.00 -2.33 0.00 0.00 43.42 40.96 1hqz n LEU 56 CO -0.09 -0.54 0.46 0.00 -1.33 0.00 0.00 177.39 175.90 1hqz n GLN 57 N -1.69 0.90 -0.57 3.23 6.02 0.99 -4.63 117.38 121.63 1hqz n GLN 57 Ca 0.01 -1.31 0.09 0.00 -0.01 0.00 0.00 57.00 55.77 1hqz n GLN 57 Cb 0.06 -1.25 0.34 0.00 1.02 0.00 0.00 30.24 30.41 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 0.70 4.46 -4.81 1.08 4.77 -0.71 -4.97 117.00 117.53 1hqz n LEU 58 Ca 0.08 -2.25 -0.37 0.00 -0.03 0.00 0.00 56.01 53.44 1hqz n LEU 58 Cb 0.32 -0.56 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 1hqz n LEU 58 CO 0.08 0.78 0.40 -0.36 -1.33 0.00 0.00 177.39 176.96 1hqz s PHE 59 N -1.77 3.72 -0.29 -1.77 0.40 -1.26 -5.04 117.98 111.98 1hqz s PHE 59 Ca 0.48 1.40 -0.21 0.00 -0.60 0.00 0.00 56.93 58.01 1hqz s PHE 59 Cb 0.31 -2.62 -0.01 0.00 0.51 0.00 0.00 43.02 41.21 1hqz s PHE 59 CO 0.24 0.42 0.65 0.34 0.70 0.00 0.00 175.22 177.56 1hqz s ASP 60 N -1.47 6.54 0.00 1.36 -1.08 -1.26 -4.96 116.67 115.80 1hqz s ASP 60 Ca 0.39 0.56 0.04 0.00 -0.52 0.00 0.00 52.55 53.02 1hqz s ASP 60 Cb -0.18 -2.34 0.26 0.00 -1.46 0.00 0.00 42.92 39.20 1hqz s ASP 60 CO 0.22 -0.45 0.88 -1.84 0.52 0.00 0.00 175.17 174.49 1hqz n GLU 61 N 5.85 0.68 0.00 4.34 0.28 -1.26 -2.53 120.64 128.00 1hqz n GLU 61 Ca -0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.16 57.03 1hqz n GLU 61 Cb 0.49 -1.10 0.02 0.00 1.43 0.00 0.00 31.44 32.27 1hqz n GLU 61 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1hqz n THR 62 N -0.60 0.00 -4.07 3.84 -2.24 -1.26 -3.81 114.28 106.14 1hqz n THR 62 Ca 0.03 -0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 61.20 1hqz n THR 62 Cb 0.01 1.11 -0.12 0.00 -2.10 0.00 0.00 70.33 69.24 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 -0.73 0.53 -0.18 -0.78 1.02 -1.05 -3.84 119.74 114.71 1hqz s LYS 63 Ca 0.07 -0.74 -0.29 0.00 0.02 0.00 0.00 55.97 55.03 1hqz s LYS 63 Cb 0.05 -0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.05 1hqz s LYS 63 CO 0.11 0.06 1.05 0.08 -0.92 0.00 0.00 175.35 175.72 1hqz s VAL 64 N -1.32 4.68 0.25 3.17 1.01 -1.26 -4.52 120.40 122.41 1hqz s VAL 64 Ca -0.09 2.00 0.03 0.00 0.00 0.00 0.00 61.98 63.91 1hqz s VAL 64 Cb -0.10 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 1hqz s VAL 64 CO 0.00 -0.11 0.02 -1.10 0.00 0.00 0.00 175.10 173.91 1hqz s GLN 65 N 2.82 1.41 -0.06 2.72 -0.21 0.41 -4.50 119.66 122.25 1hqz s GLN 65 Ca 0.46 -1.73 0.02 0.00 0.02 0.00 0.00 55.36 54.13 1hqz s GLN 65 Cb -0.17 -0.60 0.01 0.00 1.00 0.00 0.00 33.01 33.25 1hqz s GLN 65 CO 0.11 -0.15 -0.11 0.71 -2.12 0.00 0.00 175.29 173.73 1hqz s TYR 66 N -3.45 1.34 0.11 0.91 1.51 -0.97 -0.54 117.35 116.26 1hqz s TYR 66 Ca 0.31 -0.48 0.08 0.00 -1.01 0.00 0.00 57.07 55.98 1hqz s TYR 66 Cb 0.07 -1.00 -0.04 0.00 -0.11 0.00 0.00 41.96 40.88 1hqz s TYR 66 CO 0.11 -0.26 -0.15 0.20 -1.11 0.00 0.00 175.55 174.34 1hqz s GLY 67 N 0.68 1.74 -0.05 0.71 0.00 -0.06 -0.72 107.32 109.61 1hqz s GLY 67 Ca -0.14 -1.31 -0.01 0.00 0.00 0.00 0.00 44.72 43.27 1hqz s GLY 67 CO 0.03 -1.29 0.01 -2.27 0.00 0.00 0.00 173.10 169.58 1hqz s LEU 68 N -2.18 0.76 0.01 0.66 2.96 0.92 -0.31 118.68 121.51 1hqz s LEU 68 Ca 0.19 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.07 1hqz s LEU 68 Cb -0.11 -0.31 -0.01 0.00 0.50 0.00 0.00 46.19 46.26 1hqz s LEU 68 CO 0.12 -0.16 -0.02 0.00 -1.32 0.00 0.00 176.35 174.97 1hqz s ALA 69 N 1.60 0.09 -0.24 5.97 0.00 -0.22 0.29 121.76 129.24 1hqz s ALA 69 Ca -0.01 -0.37 -0.05 0.00 0.00 0.00 0.00 51.96 51.52 1hqz s ALA 69 Cb -0.13 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.07 1hqz s ALA 69 CO -0.03 -0.09 0.01 0.50 0.00 0.00 0.00 175.76 176.14 1hqz s ARG 70 N -0.90 3.43 0.00 0.00 3.52 0.58 -0.43 118.95 125.15 1hqz s ARG 70 Ca -0.10 -0.60 -0.01 0.00 -0.13 0.00 0.00 55.73 54.89 1hqz s ARG 70 Cb -0.06 -3.15 -0.00 0.00 -1.56 0.00 0.00 34.95 30.17 1hqz s ARG 70 CO -0.01 -0.22 0.02 0.08 -0.81 0.00 0.00 175.30 174.36 1hqz s VAL 71 N 1.52 0.04 -0.26 7.11 1.01 0.12 -4.84 120.40 125.12 1hqz s VAL 71 Ca 0.06 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 1hqz s VAL 71 Cb -0.15 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 1hqz s VAL 71 CO -0.00 -0.20 0.16 -0.55 0.00 0.00 0.00 175.10 174.51 1hqz s SER 72 N -0.61 5.97 0.59 3.32 0.15 -1.26 -0.35 113.70 121.51 1hqz s SER 72 Ca -0.07 0.02 -0.17 0.00 0.70 0.00 0.00 55.95 56.44 1hqz s SER 72 Cb -0.04 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 62.14 1hqz s SER 72 CO -0.00 0.00 1.09 -2.16 1.20 0.00 0.00 173.24 173.37 1hqz s PRO 73 N 1.43 3.23 0.28 5.44 0.04 -1.26 -4.96 135.00 139.20 1hqz s PRO 73 Ca 0.07 1.40 -0.29 0.00 0.04 0.00 0.00 61.00 62.21 1hqz s PRO 73 Cb -0.15 -2.01 -0.14 0.00 0.04 0.00 0.00 34.50 32.25 1hqz s PRO 73 CO 0.08 -0.91 1.20 -2.30 0.04 0.00 0.00 177.00 175.11 1hqz n PRO 74 N -1.80 1.71 -0.05 0.56 -0.02 -1.26 -1.98 135.00 132.16 1hqz n PRO 74 Ca 0.10 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1hqz n PRO 74 Cb 0.52 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 1.42 1.79 3.06 -1.23 0.00 -1.26 -5.02 105.19 103.95 1hqz n GLY 75 Ca 0.09 0.00 -0.08 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 -3.23 0.50 0.00 1.61 1.04 -0.84 -5.03 113.70 107.75 1hqz s SER 76 Ca 0.00 -0.82 0.21 0.00 0.48 0.00 0.00 55.95 55.82 1hqz s SER 76 Cb 0.00 0.15 0.14 0.00 0.10 0.00 0.00 66.02 66.41 1hqz s SER 76 CO 0.00 -0.47 1.15 -0.90 0.98 0.00 0.00 173.24 174.00 1hqz n ASP 77 N 0.63 2.65 -4.72 7.02 3.85 -1.26 -4.33 116.55 120.39 1hqz n ASP 77 Ca -0.17 -1.83 -0.42 0.00 -0.71 0.00 0.00 54.79 51.66 1hqz n ASP 77 Cb 0.59 0.06 -0.03 0.00 -1.35 0.00 0.00 41.12 40.39 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 -1.84 3.43 -0.04 2.12 1.01 -1.26 -4.94 120.40 118.88 1hqz s VAL 78 Ca 0.24 1.05 -0.19 0.00 0.00 0.00 0.00 61.98 63.08 1hqz s VAL 78 Cb 0.18 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1hqz s VAL 78 CO 0.30 0.10 0.53 -1.61 0.00 0.00 0.00 175.10 174.42 1hqz s GLU 79 N 0.84 4.27 0.20 2.72 0.41 -1.26 -4.04 118.70 121.84 1hqz s GLU 79 Ca 0.62 0.60 0.09 0.00 -0.41 0.00 0.00 54.97 55.87 1hqz s GLU 79 Cb -0.35 -3.36 -0.04 0.00 -1.78 0.00 0.00 34.13 28.60 1hqz s GLU 79 CO 0.32 0.34 -0.18 0.15 -0.49 0.00 0.00 175.26 175.40 1hqz s LYS 80 N -0.04 1.39 -0.16 1.61 -0.14 0.52 -4.91 119.74 118.02 1hqz s LYS 80 Ca 0.29 -1.54 -0.04 0.00 -1.36 0.00 0.00 55.97 53.31 1hqz s LYS 80 Cb -0.17 -1.42 -0.03 0.00 -1.68 0.00 0.00 37.83 34.53 1hqz s LYS 80 CO 0.14 0.27 -0.01 0.42 -0.76 0.00 0.00 175.35 175.41 1hqz s ILE 81 N -2.33 4.10 -0.03 2.17 -1.09 -1.26 0.15 121.20 122.91 1hqz s ILE 81 Ca 0.21 -0.28 0.05 0.00 -2.23 0.00 0.00 60.65 58.39 1hqz s ILE 81 Cb -0.05 -2.81 -0.01 0.00 -1.58 0.00 0.00 42.46 38.02 1hqz s ILE 81 CO 0.09 0.49 -0.18 -0.51 -1.23 0.00 0.00 174.94 173.60 1hqz s ILE 82 N 0.30 1.44 -0.02 2.92 2.07 0.43 0.06 121.20 128.40 1hqz s ILE 82 Ca -0.02 -0.74 0.06 0.00 -1.41 0.00 0.00 60.65 58.54 1hqz s ILE 82 Cb -0.14 -1.23 -0.03 0.00 0.13 0.00 0.00 42.46 41.20 1hqz s ILE 82 CO 0.02 0.41 -0.20 0.27 -1.91 0.00 0.00 174.94 173.54 1hqz s ILE 83 N -0.11 2.59 -0.15 2.00 -4.36 0.24 -1.05 121.20 120.35 1hqz s ILE 83 Ca -0.00 -0.99 0.00 0.00 -0.26 0.00 0.00 60.65 59.40 1hqz s ILE 83 Cb -0.10 -1.99 0.00 0.00 1.25 0.00 0.00 42.46 41.62 1hqz s ILE 83 CO 0.01 0.52 -0.16 -0.63 0.24 0.00 0.00 174.94 174.93 1hqz s ILE 84 N -0.73 2.59 -0.49 8.37 -1.09 0.58 -1.25 121.20 129.17 1hqz s ILE 84 Ca 0.12 -0.80 -0.16 0.00 -2.23 0.00 0.00 60.65 57.59 1hqz s ILE 84 Cb -0.10 -2.09 0.09 0.00 -1.58 0.00 0.00 42.46 38.78 1hqz s ILE 84 CO 0.01 0.52 0.43 -0.83 -1.23 0.00 0.00 174.94 173.83 1hqz s GLY 85 N 0.83 2.06 -0.41 6.18 0.00 0.11 -0.88 107.32 115.22 1hqz s GLY 85 Ca -0.05 -2.25 -0.16 0.00 0.00 0.00 0.00 44.72 42.26 1hqz s GLY 85 CO -0.01 1.10 0.37 0.86 0.00 0.00 0.00 173.10 175.42 1hqz s TRP 86 N 1.62 3.20 -0.48 1.90 -0.11 0.30 -1.08 118.94 124.30 1hqz s TRP 86 Ca 0.04 -0.43 0.03 0.00 1.22 0.00 0.00 56.10 56.95 1hqz s TRP 86 Cb -0.26 -2.74 0.14 0.00 -1.50 0.00 0.00 33.47 29.12 1hqz s TRP 86 CO 0.05 -0.62 0.29 0.00 -4.62 0.00 0.00 176.95 172.05 1hqz s PRO 88 N 0.04 4.12 0.39 0.00 0.04 -1.25 -4.38 135.00 133.95 1hqz s PRO 88 Ca 0.21 1.16 0.09 0.00 0.04 0.00 0.00 61.00 62.50 1hqz s PRO 88 Cb -0.18 -2.16 0.86 0.00 0.04 0.00 0.00 34.50 33.06 1hqz s PRO 88 CO -0.05 -0.14 1.98 -0.44 0.04 0.00 0.00 177.00 178.40 1hqz h ASP 89 N 1.77 0.54 0.29 6.66 3.32 -1.81 -1.44 116.42 125.74 1hqz h ASP 89 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1hqz h ASP 89 Cb 1.19 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1hqz h ASP 89 CO 0.61 0.35 0.00 -1.20 -1.72 0.00 0.00 179.24 177.27 1hqz n SER 90 N -4.48 0.00 -4.80 6.45 7.64 -1.25 -4.79 113.62 112.39 1hqz n SER 90 Ca 0.09 -0.32 -0.32 0.00 1.01 0.00 0.00 58.87 59.33 1hqz n SER 90 Cb 0.25 -0.18 0.02 0.00 -1.01 0.00 0.00 64.21 63.29 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 -2.37 2.71 0.47 -0.43 0.00 -0.54 -4.73 121.76 116.87 1hqz s ALA 91 Ca 0.28 0.35 -0.23 0.00 0.00 0.00 0.00 51.96 52.35 1hqz s ALA 91 Cb 0.16 -3.23 -0.08 0.00 0.00 0.00 0.00 23.12 19.97 1hqz s ALA 91 CO 0.34 -0.92 1.13 -2.30 0.00 0.00 0.00 175.76 174.00 1hqz n PRO 92 N -2.27 1.49 -0.26 0.00 -0.02 -1.26 -4.81 135.00 127.87 1hqz n PRO 92 Ca 0.09 0.54 0.06 0.00 -2.02 0.00 0.00 63.50 62.17 1hqz n PRO 92 Cb 0.53 -2.24 0.20 0.00 -0.02 0.00 0.00 33.50 31.97 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 1.49 0.29 -0.60 2.45 5.85 -1.93 -2.11 115.31 120.75 1hqz h LEU 93 Ca -0.47 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.28 1hqz h LEU 93 Cb 1.32 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 1hqz h LEU 93 CO 0.57 0.10 0.05 0.11 -0.34 0.00 0.00 178.44 178.93 1hqz h LYS 94 N 0.44 1.03 -0.48 1.25 1.57 -1.99 -1.80 116.57 116.58 1hqz h LYS 94 Ca 0.43 -0.30 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 1hqz h LYS 94 Cb 0.67 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1hqz h LYS 94 CO -0.42 0.98 -0.15 1.79 -0.57 0.00 0.00 179.45 181.08 1hqz h THR 95 N 0.93 1.27 -0.75 -0.16 1.35 -1.81 -2.46 112.91 111.27 1hqz h THR 95 Ca 0.18 -1.29 -0.04 0.00 -0.55 0.00 0.00 66.41 64.71 1hqz h THR 95 Cb 0.49 1.06 -0.03 0.00 -1.73 0.00 0.00 68.15 67.93 1hqz h THR 95 CO 0.02 0.45 0.31 0.03 -0.25 0.00 0.00 175.52 176.08 1hqz h ARG 96 N 0.82 1.11 -0.04 4.72 3.08 -1.27 -1.66 114.38 121.15 1hqz h ARG 96 Ca 0.12 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1hqz h ARG 96 Cb 0.70 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 1hqz h ARG 96 CO 0.05 0.90 -0.05 0.00 -1.07 0.00 0.00 179.97 179.80 1hqz h ALA 97 N 1.16 1.86 -0.17 0.04 0.00 -0.97 -2.46 119.26 118.71 1hqz h ALA 97 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1hqz h ALA 97 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1hqz h ALA 97 CO -0.02 0.11 0.00 0.43 0.00 0.00 0.00 179.25 179.77 1hqz n SER 98 N -4.45 3.13 0.07 0.00 7.64 -0.96 -4.61 113.62 114.44 1hqz n SER 98 Ca -0.02 -1.97 -0.12 0.00 1.01 0.00 0.00 58.87 57.76 1hqz n SER 98 Cb 0.15 -0.10 -0.05 0.00 -1.01 0.00 0.00 64.21 63.20 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 4.48 -0.83 -0.62 1.43 3.57 -0.81 0.31 116.94 124.48 1hqz h PHE 99 Ca 0.00 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.64 1hqz h PHE 99 Cb 0.97 0.36 -0.09 0.00 2.79 0.00 0.00 35.95 39.98 1hqz h PHE 99 CO 0.10 -0.40 0.15 0.00 -2.23 0.00 0.00 178.31 175.93 1hqz h ALA 100 N 0.28 0.75 -0.09 2.41 0.00 -1.82 0.78 119.26 121.58 1hqz h ALA 100 Ca 0.06 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1hqz h ALA 100 Cb 0.54 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1hqz h ALA 100 CO -0.24 -0.30 0.03 0.00 0.00 0.00 0.00 179.25 178.73 1hqz h ALA 101 N 1.49 0.11 -0.60 0.00 0.00 -1.79 -1.15 119.26 117.33 1hqz h ALA 101 Ca 0.33 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1hqz h ALA 101 Cb 0.49 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1hqz h ALA 101 CO -0.41 -0.27 0.00 -0.91 0.00 0.00 0.00 179.25 177.66 1hqz h ASN 102 N -0.05 1.02 -0.55 0.00 2.35 -0.14 -0.86 115.58 117.34 1hqz h ASN 102 Ca 0.03 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.48 1hqz h ASN 102 Cb 0.22 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 1hqz h ASN 102 CO -0.00 1.07 0.29 0.15 -1.65 0.00 0.00 177.43 177.29 1hqz h PHE 103 N 0.95 0.77 -0.66 1.19 3.57 0.64 0.16 116.94 123.57 1hqz h PHE 103 Ca 0.17 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1hqz h PHE 103 Cb 0.55 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1hqz h PHE 103 CO 0.04 0.58 0.42 0.00 -2.23 0.00 0.00 178.31 177.11 1hqz h ALA 104 N 1.12 0.84 -0.51 2.41 0.00 -0.95 0.18 119.26 122.35 1hqz h ALA 104 Ca 0.19 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1hqz h ALA 104 Cb 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1hqz h ALA 104 CO -0.03 0.30 0.34 0.00 0.00 0.00 0.00 179.25 179.86 1hqz h ALA 105 N 1.22 0.65 -0.39 0.00 0.00 -0.37 0.14 119.26 120.51 1hqz h ALA 105 Ca 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1hqz h ALA 105 Cb -0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1hqz h ALA 105 CO -0.05 0.09 0.16 0.28 0.00 0.00 0.00 179.25 179.74 1hqz h VAL 106 N 0.70 1.19 -0.22 0.00 2.07 -0.22 0.15 116.25 119.91 1hqz h VAL 106 Ca 0.19 -0.59 -0.09 0.00 0.82 0.00 0.00 66.70 67.04 1hqz h VAL 106 Cb -0.08 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1hqz h VAL 106 CO -0.04 0.21 -0.24 0.00 0.02 0.00 0.00 177.57 177.52 1hqz h ALA 107 N 1.01 1.19 0.03 1.67 0.00 -0.66 0.19 119.26 122.68 1hqz h ALA 107 Ca 0.13 -0.32 -0.29 0.00 0.00 0.00 0.00 54.91 54.43 1hqz h ALA 107 Cb 0.18 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1hqz h ALA 107 CO -0.01 0.52 -1.61 -0.91 0.00 0.00 0.00 179.25 177.24 1hqz h ASN 108 N 0.36 0.11 0.00 0.00 2.35 -0.48 -3.37 115.58 114.55 1hqz h ASN 108 Ca 0.06 -0.20 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1hqz h ASN 108 Cb 0.62 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.95 1hqz h ASN 108 CO 0.04 1.17 -0.93 0.59 -1.65 0.00 0.00 177.43 176.65 1hqz n ASN 109 N -3.20 3.57 -0.01 5.81 3.02 0.49 -4.82 115.26 120.12 1hqz n ASN 109 Ca -0.16 -0.11 -0.01 0.00 -0.03 0.00 0.00 54.58 54.27 1hqz n ASN 109 Cb 1.03 1.10 -0.00 0.00 -0.61 0.00 0.00 39.78 41.30 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 -1.49 0.30 -3.12 3.41 7.94 -0.38 -4.79 117.00 118.87 1hqz n LEU 110 Ca -0.00 0.05 -0.35 0.00 -1.11 0.00 0.00 56.01 54.59 1hqz n LEU 110 Cb 0.07 -0.37 -0.02 0.00 0.53 0.00 0.00 43.42 43.62 1hqz n LEU 110 CO 0.06 -0.49 2.04 0.49 -1.11 0.00 0.00 177.39 178.38 1hqz n PHE 111 N -2.80 2.25 -2.27 1.96 0.99 0.52 -4.99 117.46 113.13 1hqz n PHE 111 Ca -0.02 -2.48 -0.38 0.00 -0.00 0.00 0.00 57.45 54.57 1hqz n PHE 111 Cb 0.06 -1.62 -0.02 0.00 -1.00 0.00 0.00 39.48 36.90 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 -1.59 4.00 0.00 -1.08 1.02 -1.26 -3.90 119.74 116.92 1hqz s LYS 112 Ca 0.55 1.86 0.00 0.00 0.02 0.00 0.00 55.97 58.40 1hqz s LYS 112 Cb 0.26 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 1hqz s LYS 112 CO -0.15 -0.37 0.00 0.41 -0.92 0.00 0.00 175.35 174.32 1hqz n GLY 113 N 0.61 1.10 3.83 -3.33 0.00 -1.26 -5.05 105.19 101.07 1hqz n GLY 113 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 3.33 -0.16 1.61 -0.85 -1.25 -4.72 117.35 113.31 1hqz s TYR 114 Ca 0.00 1.55 0.12 0.00 -0.52 0.00 0.00 57.07 58.22 1hqz s TYR 114 Cb 0.00 -2.85 -0.18 0.00 0.38 0.00 0.00 41.96 39.31 1hqz s TYR 114 CO 0.00 -0.28 0.01 0.72 -1.52 0.00 0.00 175.55 174.48 1hqz n HIS 115 N -1.05 0.00 -4.80 -3.49 8.25 0.11 -4.96 115.22 109.28 1hqz n HIS 115 Ca 0.07 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.28 1hqz n HIS 115 Cb 0.54 -0.77 -0.16 0.00 1.12 0.00 0.00 29.99 30.73 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 -2.38 1.35 -0.06 1.59 1.01 -0.62 -5.03 120.40 116.26 1hqz s VAL 116 Ca -0.11 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.23 1hqz s VAL 116 Cb 0.05 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 1hqz s VAL 116 CO 0.60 0.39 -0.25 -1.58 0.00 0.00 0.00 175.10 174.27 1hqz s GLN 117 N -0.14 2.61 -0.03 2.72 0.74 -1.26 -0.59 119.66 123.71 1hqz s GLN 117 Ca 0.01 -0.90 0.02 0.00 0.05 0.00 0.00 55.36 54.54 1hqz s GLN 117 Cb -0.09 -2.17 0.00 0.00 1.10 0.00 0.00 33.01 31.85 1hqz s GLN 117 CO 0.01 0.35 -0.08 0.08 -0.55 0.00 0.00 175.29 175.09 1hqz s VAL 118 N -0.09 0.73 -0.27 1.34 1.01 -0.38 -4.97 120.40 117.77 1hqz s VAL 118 Ca -0.06 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 1hqz s VAL 118 Cb -0.14 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 1hqz s VAL 118 CO 0.04 0.23 0.08 -0.89 0.00 0.00 0.00 175.10 174.57 1hqz s THR 119 N 0.23 4.21 -0.07 3.92 2.01 -1.26 0.09 115.64 124.77 1hqz s THR 119 Ca -0.03 -0.37 0.04 0.00 0.31 0.00 0.00 61.69 61.64 1hqz s THR 119 Cb -0.08 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1hqz s THR 119 CO 0.00 0.23 -0.20 0.00 -0.69 0.00 0.00 174.62 173.96 1hqz s ALA 120 N 1.58 1.82 -0.24 7.40 0.00 -0.24 -4.97 121.76 127.10 1hqz s ALA 120 Ca 0.05 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.28 1hqz s ALA 120 Cb -0.16 -0.67 -0.18 0.00 0.00 0.00 0.00 23.12 22.11 1hqz s ALA 120 CO 0.03 0.26 -0.16 -2.13 0.00 0.00 0.00 175.76 173.77 1hqz n ARG 121 N 3.42 0.66 -4.04 0.00 0.00 -1.26 -1.34 116.66 114.11 1hqz n ARG 121 Ca -0.20 0.11 -0.16 0.00 -0.00 0.00 0.00 57.85 57.61 1hqz n ARG 121 Cb 0.52 -1.51 -0.05 0.00 0.00 0.00 0.00 32.46 31.43 1hqz n ARG 121 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1hqz n ASP 122 N -3.13 -1.15 0.17 6.15 5.68 -1.26 -3.95 116.55 119.06 1hqz n ASP 122 Ca -0.42 -2.97 0.10 0.00 -0.50 0.00 0.00 54.79 51.00 1hqz n ASP 122 Cb 1.02 2.25 0.53 0.00 -1.14 0.00 0.00 41.12 43.77 1hqz n ASP 122 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1hqz n GLU 123 N -0.59 0.13 0.00 0.11 1.02 -1.26 -0.99 120.64 119.05 1hqz n GLU 123 Ca 0.03 0.62 0.15 0.00 -0.02 0.00 0.00 57.16 57.94 1hqz n GLU 123 Cb 0.59 -2.01 0.75 0.00 -0.02 0.00 0.00 31.44 30.75 1hqz n GLU 123 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1hqz n ASP 124 N -2.20 0.22 -0.51 1.62 8.00 -1.26 -2.38 116.55 120.04 1hqz n ASP 124 Ca -0.01 -0.58 0.10 0.00 0.71 0.00 0.00 54.79 55.00 1hqz n ASP 124 Cb 0.12 -0.13 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 1hqz n ASP 124 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1hqz n ASP 125 N -1.03 2.01 -1.53 -2.24 8.00 -0.16 -4.31 116.55 117.28 1hqz n ASP 125 Ca 0.17 -1.50 -0.14 0.00 0.71 0.00 0.00 54.79 54.03 1hqz n ASP 125 Cb 0.22 0.38 0.13 0.00 -0.02 0.00 0.00 41.12 41.84 1hqz n ASP 125 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1hqz n LEU 126 N 0.17 4.72 -4.67 0.64 4.77 -1.00 -4.86 117.00 116.76 1hqz n LEU 126 Ca 0.09 -4.16 -0.42 0.00 -0.03 0.00 0.00 56.01 51.48 1hqz n LEU 126 Cb 0.43 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1hqz n LEU 126 CO 0.22 1.57 1.48 -0.62 -1.33 0.00 0.00 177.39 178.71 1hqz s ASP 127 N -2.84 6.51 0.16 -1.43 2.15 -1.25 -4.88 116.67 115.10 1hqz s ASP 127 Ca 0.49 2.58 -0.15 0.00 0.43 0.00 0.00 52.55 55.90 1hqz s ASP 127 Cb 0.42 -2.55 0.07 0.00 -0.30 0.00 0.00 42.92 40.56 1hqz s ASP 127 CO 0.00 -0.99 1.78 -0.08 -0.17 0.00 0.00 175.17 175.72 1hqz h GLU 128 N 9.53 0.42 -0.41 4.34 4.81 -1.95 0.13 114.58 131.44 1hqz h GLU 128 Ca -0.46 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 58.66 1hqz h GLU 128 Cb 1.22 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 1hqz h GLU 128 CO 0.94 0.28 -0.12 -0.91 -0.73 0.00 0.00 179.01 178.47 1hqz h ASN 129 N 0.43 0.72 -0.29 1.04 2.35 -1.99 -0.96 115.58 116.88 1hqz h ASN 129 Ca 0.18 -0.21 -0.14 0.00 -0.55 0.00 0.00 56.30 55.57 1hqz h ASN 129 Cb 0.08 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 1hqz h ASN 129 CO -0.12 0.87 -0.36 -0.33 -1.65 0.00 0.00 177.43 175.83 1hqz h GLU 130 N 0.67 0.76 -0.39 0.81 4.39 -1.83 -2.28 114.58 116.71 1hqz h GLU 130 Ca 0.11 -0.43 -0.13 0.00 0.34 0.00 0.00 59.36 59.25 1hqz h GLU 130 Cb 0.58 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1hqz h GLU 130 CO 0.04 1.06 -0.28 -0.07 -1.16 0.00 0.00 179.01 178.59 1hqz h LEU 131 N 0.52 0.85 -1.48 1.33 3.38 -0.63 -2.38 115.31 116.91 1hqz h LEU 131 Ca 0.04 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 1hqz h LEU 131 Cb 0.95 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1hqz h LEU 131 CO 0.09 1.08 -0.22 -0.07 0.09 0.00 0.00 178.44 179.41 1hqz h LEU 132 N 0.70 0.06 -0.93 1.67 3.38 -1.17 -0.86 115.31 118.17 1hqz h LEU 132 Ca 0.08 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1hqz h LEU 132 Cb 0.83 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1hqz h LEU 132 CO 0.07 0.28 -0.51 -0.03 0.09 0.00 0.00 178.44 178.35 1hqz h MET 133 N 0.06 0.07 0.04 1.13 4.05 -0.93 -2.77 114.93 116.58 1hqz h MET 133 Ca 0.01 -0.04 -0.25 0.00 -0.28 0.00 0.00 59.70 59.14 1hqz h MET 133 Cb 0.42 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.23 1hqz h MET 133 CO 0.03 0.56 -1.06 0.87 0.23 0.00 0.00 176.91 177.54 1hqz h LYS 134 N 0.05 0.47 0.00 0.39 1.57 -0.84 -2.80 116.57 115.41 1hqz h LYS 134 Ca -0.00 -0.56 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 1hqz h LYS 134 Cb 0.92 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1hqz h LYS 134 CO 0.07 1.20 0.00 -0.89 -0.57 0.00 0.00 179.45 179.26 1hqz n ILE 135 N -3.73 1.33 0.71 1.86 5.41 -0.42 -5.03 119.36 119.49 1hqz n ILE 135 Ca -0.09 0.39 0.09 0.00 1.00 0.00 0.00 62.75 64.13 1hqz n ILE 135 Cb 0.90 -1.27 0.07 0.00 -0.71 0.00 0.00 39.64 38.63 1hqz n ILE 135 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35