#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqa s PRO 5 N 0.00 4.28 0.15 0.03 0.04 -1.26 -5.01 135.00 133.23 1hqa s PRO 5 Ca 0.00 1.14 0.04 0.00 0.04 0.00 0.00 61.00 62.21 1hqa s PRO 5 Cb 0.00 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1hqa s PRO 5 CO 0.00 0.03 0.21 0.14 0.04 0.00 0.00 177.00 177.42 1hqa s VAL 6 N -2.08 4.94 -0.44 -0.36 -7.23 -1.26 -4.77 120.40 109.20 1hqa s VAL 6 Ca 0.60 -0.86 -0.28 0.00 -1.81 0.00 0.00 61.98 59.63 1hqa s VAL 6 Cb -0.11 -3.53 -0.01 0.00 0.56 0.00 0.00 36.38 33.29 1hqa s VAL 6 CO 0.15 -0.09 1.69 -0.76 -0.31 0.00 0.00 175.10 175.78 1hqa s LEU 7 N -3.15 3.46 0.24 1.32 1.02 -0.51 -4.86 118.68 116.20 1hqa s LEU 7 Ca 0.33 0.85 0.06 0.00 0.02 0.00 0.00 54.13 55.38 1hqa s LEU 7 Cb -0.11 -3.22 0.25 0.00 0.02 0.00 0.00 46.19 43.13 1hqa s LEU 7 CO 0.26 -1.82 1.55 -0.33 0.02 0.00 0.00 176.35 176.04 1hqa h GLU 8 N 12.73 0.17 -1.59 1.70 5.08 -1.96 -3.42 114.58 127.29 1hqa h GLU 8 Ca -0.30 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1hqa h GLU 8 Cb 1.14 0.02 -0.24 0.00 0.50 0.00 0.00 28.75 30.18 1hqa h GLU 8 CO 1.11 0.75 -0.32 1.21 -1.00 0.00 0.00 179.01 180.76 1hqa s ASN 9 N -6.89 -0.75 -0.20 1.42 2.47 -1.26 -4.99 114.94 104.74 1hqa s ASN 9 Ca -0.03 0.81 0.12 0.00 0.42 0.00 0.00 52.86 54.18 1hqa s ASN 9 Cb 0.12 1.79 0.43 0.00 -1.45 0.00 0.00 41.25 42.14 1hqa s ASN 9 CO 0.79 -0.26 1.21 0.54 -3.72 0.00 0.00 177.10 175.66 1hqa n ARG 10 N 5.41 1.72 -2.13 0.43 1.74 -1.26 -4.91 116.66 117.67 1hqa n ARG 10 Ca -0.04 -3.31 -0.31 0.00 -0.77 0.00 0.00 57.85 53.42 1hqa n ARG 10 Cb 0.50 -1.56 -0.00 0.00 -1.02 0.00 0.00 32.46 30.38 1hqa n ARG 10 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1hqa s ALA 11 N -3.00 3.15 0.08 7.54 0.00 -1.26 -4.72 121.76 123.56 1hqa s ALA 11 Ca 0.39 -0.12 -0.37 0.00 0.00 0.00 0.00 51.96 51.87 1hqa s ALA 11 Cb 0.38 -2.99 -0.17 0.00 0.00 0.00 0.00 23.12 20.34 1hqa s ALA 11 CO -0.06 -0.53 1.36 0.00 0.00 0.00 0.00 175.76 176.53 1hqa n ALA 12 N -2.40 -0.83 0.31 0.00 0.00 0.44 -4.39 120.51 113.63 1hqa n ALA 12 Ca 0.05 0.51 0.16 0.00 0.00 0.00 0.00 53.44 54.16 1hqa n ALA 12 Cb 0.54 -2.09 0.66 0.00 0.00 0.00 0.00 19.45 18.56 1hqa n ALA 12 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1hqa h GLN 13 N 4.69 0.00 0.00 0.00 1.08 0.07 -3.48 115.11 117.47 1hqa h GLN 13 Ca -0.48 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.72 1hqa h GLN 13 Cb 1.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.76 1hqa h GLN 13 CO 0.79 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 179.08 1hqa n GLY 14 N -0.02 2.68 3.57 3.46 0.00 0.18 -5.04 105.19 110.02 1hqa n GLY 14 Ca 0.01 0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1hqa n GLY 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hqa s ASP 15 N 2.00 6.51 0.40 1.61 -1.08 -1.24 -4.79 116.67 120.07 1hqa s ASP 15 Ca 0.00 0.17 0.20 0.00 -0.52 0.00 0.00 52.55 52.40 1hqa s ASP 15 Cb 0.00 -2.42 1.15 0.00 -1.46 0.00 0.00 42.92 40.20 1hqa s ASP 15 CO 0.00 -0.89 1.73 0.40 0.52 0.00 0.00 175.17 176.93 1hqa h ILE 16 N 5.92 0.43 -0.00 4.11 1.08 -1.98 -0.48 117.51 126.60 1hqa h ILE 16 Ca -0.24 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.11 1hqa h ILE 16 Cb 1.08 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 1hqa h ILE 16 CO 0.97 0.06 -0.14 0.35 -0.69 0.00 0.00 178.15 178.70 1hqa n THR 17 N -4.68 0.00 -4.05 -0.27 -2.24 -1.26 -4.46 114.28 97.33 1hqa n THR 17 Ca 0.28 -0.01 -0.25 0.00 -2.27 0.00 0.00 64.05 61.80 1hqa n THR 17 Cb 0.98 -0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.91 1hqa n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hqa s ALA 18 N -2.93 3.68 0.17 6.98 0.00 -0.19 -5.03 121.76 124.44 1hqa s ALA 18 Ca 0.15 -1.20 -0.34 0.00 0.00 0.00 0.00 51.96 50.58 1hqa s ALA 18 Cb 0.19 -1.47 -0.14 0.00 0.00 0.00 0.00 23.12 21.70 1hqa s ALA 18 CO 0.57 0.46 1.53 -2.30 0.00 0.00 0.00 175.76 176.02 1hqa n PRO 19 N -0.57 2.07 -0.75 0.00 -0.02 -1.26 -0.48 135.00 133.99 1hqa n PRO 19 Ca -0.08 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1hqa n PRO 19 Cb 0.55 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1hqa n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1hqa n GLY 20 N 3.13 0.50 0.24 -1.23 0.00 -1.26 -4.85 105.19 101.72 1hqa n GLY 20 Ca 0.16 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 1hqa n GLY 20 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1hqa h GLY 21 N 0.00 0.00 -0.43 -0.02 0.00 -0.88 -3.08 103.07 98.66 1hqa h GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1hqa h GLY 21 CO 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 176.54 176.19 1hqa n ALA 22 N -2.10 3.28 -1.67 3.60 0.00 -1.26 -0.64 120.51 121.72 1hqa n ALA 22 Ca 0.03 -0.53 -0.40 0.00 0.00 0.00 0.00 53.44 52.53 1hqa n ALA 22 Cb 0.45 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 18.95 1hqa n ALA 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1hqa n ARG 23 N -0.27 1.65 -0.00 0.00 1.74 -1.16 -4.50 116.66 114.12 1hqa n ARG 23 Ca 0.11 0.59 0.08 0.00 -0.77 0.00 0.00 57.85 57.86 1hqa n ARG 23 Cb 0.41 -2.29 -0.11 0.00 -1.02 0.00 0.00 32.46 29.45 1hqa n ARG 23 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1hqa n ARG 24 N -0.14 0.96 -3.93 5.56 1.74 -1.26 0.50 116.66 120.09 1hqa n ARG 24 Ca 0.08 -0.10 -0.33 0.00 -0.77 0.00 0.00 57.85 56.73 1hqa n ARG 24 Cb 0.41 -1.32 -0.05 0.00 -1.02 0.00 0.00 32.46 30.48 1hqa n ARG 24 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1hqa s LEU 25 N -3.65 4.32 0.00 0.55 1.43 -1.26 -4.54 118.68 115.53 1hqa s LEU 25 Ca -0.02 0.32 0.09 0.00 -1.03 0.00 0.00 54.13 53.49 1hqa s LEU 25 Cb 0.10 -2.60 0.07 0.00 0.03 0.00 0.00 46.19 43.79 1hqa s LEU 25 CO 0.64 0.26 0.78 0.35 0.23 0.00 0.00 176.35 178.61 1hqa n THR 26 N 0.92 0.00 -3.96 5.49 -2.24 -1.26 -5.00 114.28 108.23 1hqa n THR 26 Ca -0.11 -0.50 0.04 0.00 -2.27 0.00 0.00 64.05 61.22 1hqa n THR 26 Cb 0.52 1.19 0.01 0.00 -2.10 0.00 0.00 70.33 69.95 1hqa n THR 26 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1hqa s GLY 27 N -0.77 -0.24 0.37 3.38 0.00 -1.26 -5.14 107.32 103.65 1hqa s GLY 27 Ca 0.11 0.25 -0.28 0.00 0.00 0.00 0.00 44.72 44.80 1hqa s GLY 27 CO 0.12 5.78 1.44 -0.35 0.00 0.00 0.00 173.10 180.08 1hqa s ASP 28 N -3.81 6.44 0.00 1.64 -1.08 -1.26 -4.94 116.67 113.66 1hqa s ASP 28 Ca 0.29 2.95 0.23 0.00 -0.52 0.00 0.00 52.55 55.50 1hqa s ASP 28 Cb 0.01 -2.66 0.04 0.00 -1.46 0.00 0.00 42.92 38.85 1hqa s ASP 28 CO -0.03 -0.80 1.10 0.00 0.52 0.00 0.00 175.17 175.96 1hqa n GLN 29 N 0.51 0.48 -0.10 4.34 1.13 -1.26 -4.62 117.38 117.86 1hqa n GLN 29 Ca 0.01 -0.37 -0.07 0.00 -1.94 0.00 0.00 57.00 54.63 1hqa n GLN 29 Cb 0.40 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.25 1hqa n GLN 29 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 1hqa h THR 30 N 0.91 0.31 -0.63 5.09 2.02 -2.00 -0.76 112.91 117.85 1hqa h THR 30 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1hqa h THR 30 Cb 0.58 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 1hqa h THR 30 CO 0.00 0.00 0.23 0.00 0.37 0.00 0.00 175.52 176.12 1hqa h ALA 31 N 0.89 0.82 -0.47 6.16 0.00 -2.00 -1.75 119.26 122.92 1hqa h ALA 31 Ca 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1hqa h ALA 31 Cb 0.49 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1hqa h ALA 31 CO -0.49 0.47 0.25 0.00 0.00 0.00 0.00 179.25 179.47 1hqa h ALA 32 N 1.09 1.55 -0.24 0.00 0.00 -1.66 -1.71 119.26 118.28 1hqa h ALA 32 Ca 0.21 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1hqa h ALA 32 Cb 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1hqa h ALA 32 CO -0.01 0.37 -0.51 1.25 0.00 0.00 0.00 179.25 180.35 1hqa h LEU 33 N 0.65 0.87 -0.82 0.00 5.85 -0.72 -2.67 115.31 118.48 1hqa h LEU 33 Ca 0.17 -0.55 0.07 0.00 0.84 0.00 0.00 57.88 58.41 1hqa h LEU 33 Cb 0.04 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.75 1hqa h LEU 33 CO -0.03 1.26 0.49 0.03 -0.34 0.00 0.00 178.44 179.85 1hqa h ARG 34 N 0.52 0.85 0.00 1.25 3.08 -0.82 0.94 114.38 120.20 1hqa h ARG 34 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1hqa h ARG 34 Cb 1.12 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1hqa h ARG 34 CO 0.11 0.57 0.00 -0.25 -1.07 0.00 0.00 179.97 179.33 1hqa n ASP 35 N -4.68 0.21 0.00 7.04 8.00 -0.69 -2.21 116.55 124.22 1hqa n ASP 35 Ca 0.12 0.55 0.12 0.00 0.71 0.00 0.00 54.79 56.29 1hqa n ASP 35 Cb 0.20 -0.60 0.21 0.00 -0.02 0.00 0.00 41.12 40.92 1hqa n ASP 35 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1hqa n SER 36 N -1.73 0.55 -4.55 -2.24 7.64 0.31 -4.13 113.62 109.46 1hqa n SER 36 Ca 0.03 -0.32 -0.43 0.00 1.01 0.00 0.00 58.87 59.17 1hqa n SER 36 Cb 0.18 0.32 -0.05 0.00 -1.01 0.00 0.00 64.21 63.65 1hqa n SER 36 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1hqa s LEU 37 N -3.02 4.19 -0.07 -3.43 1.02 -0.94 -4.68 118.68 111.75 1hqa s LEU 37 Ca 0.11 0.00 -0.04 0.00 0.02 0.00 0.00 54.13 54.22 1hqa s LEU 37 Cb 0.17 -3.01 0.03 0.00 0.02 0.00 0.00 46.19 43.41 1hqa s LEU 37 CO 0.72 -0.91 0.18 -0.55 0.02 0.00 0.00 176.35 175.81 1hqa s SER 38 N 2.11 -0.17 -0.08 2.29 0.15 -1.26 -5.01 113.70 111.73 1hqa s SER 38 Ca 0.31 0.36 0.17 0.00 0.70 0.00 0.00 55.95 57.50 1hqa s SER 38 Cb -0.12 0.28 0.60 0.00 -1.71 0.00 0.00 66.02 65.07 1hqa s SER 38 CO 0.22 -0.13 1.51 -0.90 1.20 0.00 0.00 173.24 175.15 1hqa n ASP 39 N 3.86 4.13 -4.72 5.45 5.68 -1.26 -0.39 116.55 129.30 1hqa n ASP 39 Ca -0.22 -2.34 -0.33 0.00 -0.50 0.00 0.00 54.79 51.40 1hqa n ASP 39 Cb 0.54 -0.48 0.11 0.00 -1.14 0.00 0.00 41.12 40.15 1hqa n ASP 39 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1hqa s LYS 40 N -1.63 1.85 0.53 0.11 -0.14 -1.26 -4.87 119.74 114.32 1hqa s LYS 40 Ca 0.44 1.59 -0.21 0.00 -1.36 0.00 0.00 55.97 56.43 1hqa s LYS 40 Cb 0.27 -1.82 -0.06 0.00 -1.68 0.00 0.00 37.83 34.55 1hqa s LYS 40 CO 0.22 -2.02 1.19 -2.14 -0.76 0.00 0.00 175.35 171.85 1hqa s PRO 41 N -4.29 3.37 0.04 -1.68 0.02 -1.26 -4.47 135.00 126.73 1hqa s PRO 41 Ca 0.70 1.81 -0.17 0.00 0.02 0.00 0.00 61.00 63.36 1hqa s PRO 41 Cb -0.25 -2.16 -0.06 0.00 0.02 0.00 0.00 34.50 32.05 1hqa s PRO 41 CO 0.50 -0.88 0.50 0.00 -0.33 0.00 0.00 177.00 176.79 1hqa s ALA 42 N -1.58 3.64 -0.08 -1.55 0.00 -0.51 -4.96 121.76 116.72 1hqa s ALA 42 Ca 0.71 -0.08 0.11 0.00 0.00 0.00 0.00 51.96 52.70 1hqa s ALA 42 Cb -0.29 -2.52 -0.24 0.00 0.00 0.00 0.00 23.12 20.07 1hqa s ALA 42 CO 0.34 0.44 0.52 1.17 0.00 0.00 0.00 175.76 178.23 1hqa n LYS 43 N 1.77 0.65 -4.18 0.00 4.81 0.13 -4.43 118.16 116.91 1hqa n LYS 43 Ca -0.12 0.25 -0.11 0.00 -0.87 0.00 0.00 58.31 57.46 1hqa n LYS 43 Cb 0.51 -1.74 -0.10 0.00 0.02 0.00 0.00 35.03 33.73 1hqa n LYS 43 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1hqa s ASN 44 N -6.12 1.17 -0.04 3.14 0.01 -0.88 -3.37 114.94 108.85 1hqa s ASN 44 Ca -0.08 -1.03 0.01 0.00 -0.71 0.00 0.00 52.86 51.04 1hqa s ASN 44 Cb 0.08 0.10 0.02 0.00 0.41 0.00 0.00 41.25 41.85 1hqa s ASN 44 CO 0.81 -0.48 -0.03 -0.63 -1.51 0.00 0.00 177.10 175.27 1hqa s ILE 45 N -3.62 0.40 -0.21 0.60 1.01 -0.50 -1.60 121.20 117.27 1hqa s ILE 45 Ca 0.14 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.75 1hqa s ILE 45 Cb 0.05 -0.44 0.04 0.00 0.01 0.00 0.00 42.46 42.12 1hqa s ILE 45 CO -0.03 0.19 -0.14 -0.63 0.00 0.00 0.00 174.94 174.33 1hqa s ILE 46 N 0.88 1.90 -0.25 2.92 1.01 -0.44 -0.72 121.20 126.50 1hqa s ILE 46 Ca -0.11 -1.13 -0.06 0.00 0.00 0.00 0.00 60.65 59.34 1hqa s ILE 46 Cb -0.14 -1.90 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 1hqa s ILE 46 CO -0.00 0.24 0.05 -0.22 0.00 0.00 0.00 174.94 175.01 1hqa s LEU 47 N 1.29 3.41 -0.16 2.97 0.20 0.65 -1.68 118.68 125.36 1hqa s LEU 47 Ca -0.01 -0.37 -0.03 0.00 0.69 0.00 0.00 54.13 54.41 1hqa s LEU 47 Cb -0.16 -1.87 -0.02 0.00 -0.43 0.00 0.00 46.19 43.71 1hqa s LEU 47 CO -0.09 -0.07 -0.06 -0.76 -0.29 0.00 0.00 176.35 175.09 1hqa s LEU 48 N 1.56 3.09 -0.14 -0.68 2.01 0.94 -0.49 118.68 124.96 1hqa s LEU 48 Ca 0.05 -0.21 0.02 0.00 0.01 0.00 0.00 54.13 54.00 1hqa s LEU 48 Cb -0.15 -1.74 0.00 0.00 0.01 0.00 0.00 46.19 44.31 1hqa s LEU 48 CO 0.02 0.14 -0.19 -0.63 1.01 0.00 0.00 176.35 176.70 1hqa s ILE 49 N 0.54 2.34 -0.37 -0.59 -1.09 0.16 -1.53 121.20 120.65 1hqa s ILE 49 Ca -0.04 -0.88 -0.14 0.00 -2.23 0.00 0.00 60.65 57.36 1hqa s ILE 49 Cb -0.15 -1.96 -0.00 0.00 -1.58 0.00 0.00 42.46 38.77 1hqa s ILE 49 CO 0.03 0.53 0.27 -0.83 -1.23 0.00 0.00 174.94 173.71 1hqa s GLY 50 N 0.79 1.98 -0.11 6.18 0.00 0.16 -0.65 107.32 115.67 1hqa s GLY 50 Ca -0.07 -1.51 -0.29 0.00 0.00 0.00 0.00 44.72 42.85 1hqa s GLY 50 CO -0.01 0.84 1.43 -0.35 0.00 0.00 0.00 173.10 175.02 1hqa s ASP 51 N 1.71 6.83 0.00 1.64 -1.08 -0.94 -1.99 116.67 122.83 1hqa s ASP 51 Ca 0.06 1.95 0.00 0.00 -0.52 0.00 0.00 52.55 54.04 1hqa s ASP 51 Cb -0.18 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 1hqa s ASP 51 CO 0.10 -0.82 0.00 0.61 0.52 0.00 0.00 175.17 175.58 1hqa n GLY 52 N 3.83 0.57 3.08 2.66 0.00 -1.24 -0.28 105.19 113.81 1hqa n GLY 52 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1hqa n GLY 52 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1hqa n MET 53 N -2.37 3.01 -1.92 1.61 1.56 -0.84 -4.02 117.12 114.15 1hqa n MET 53 Ca 0.00 -2.90 -0.30 0.00 -0.27 0.00 0.00 57.70 54.23 1hqa n MET 53 Cb 0.04 -3.37 0.20 0.00 2.15 0.00 0.00 33.22 32.24 1hqa n MET 53 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1hqa s GLY 54 N 3.58 1.80 0.41 -5.12 0.00 -1.26 -4.49 107.32 102.24 1hqa s GLY 54 Ca 0.50 -1.26 0.13 0.00 0.00 0.00 0.00 44.72 44.08 1hqa s GLY 54 CO -0.02 -0.46 1.94 -0.55 0.00 0.00 0.00 173.10 174.01 1hqa h ASP 55 N -1.73 0.45 -0.47 1.64 5.19 -1.92 -1.33 116.42 118.25 1hqa h ASP 55 Ca -0.44 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 55.94 1hqa h ASP 55 Cb 1.22 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.64 1hqa h ASP 55 CO 0.35 0.26 0.13 -1.28 -3.12 0.00 0.00 179.24 175.57 1hqa h SER 56 N 0.50 0.70 -0.53 6.45 0.87 -1.92 -0.63 113.55 118.99 1hqa h SER 56 Ca 0.34 -0.22 -0.07 0.00 -1.23 0.00 0.00 61.79 60.62 1hqa h SER 56 Cb 0.66 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 1hqa h SER 56 CO -0.11 0.74 0.09 -0.33 -0.53 0.00 0.00 176.83 176.69 1hqa h GLU 57 N 0.63 0.92 -0.40 2.24 3.07 -1.56 0.30 114.58 119.79 1hqa h GLU 57 Ca 0.15 -0.22 -0.08 0.00 -0.50 0.00 0.00 59.36 58.70 1hqa h GLU 57 Cb 0.30 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 1hqa h GLU 57 CO -0.00 0.86 -0.08 0.82 -1.40 0.00 0.00 179.01 179.21 1hqa h ILE 58 N 0.87 1.27 -0.36 3.13 2.04 -0.95 -2.23 117.51 121.28 1hqa h ILE 58 Ca 0.18 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.86 1hqa h ILE 58 Cb 0.39 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1hqa h ILE 58 CO 0.01 0.39 0.15 0.74 0.00 0.00 0.00 178.15 179.44 1hqa h THR 59 N 0.58 1.18 -0.57 -0.27 2.02 -0.39 -1.13 112.91 114.33 1hqa h THR 59 Ca 0.10 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 1hqa h THR 59 Cb 0.60 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1hqa h THR 59 CO 0.04 0.20 0.28 0.00 0.37 0.00 0.00 175.52 176.41 1hqa h ALA 60 N 1.00 0.73 -0.27 6.16 0.00 -0.93 -0.15 119.26 125.80 1hqa h ALA 60 Ca 0.12 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1hqa h ALA 60 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1hqa h ALA 60 CO -0.01 0.28 -0.27 0.00 0.00 0.00 0.00 179.25 179.25 1hqa h ALA 61 N 1.12 1.03 0.15 0.00 0.00 -1.21 -2.21 119.26 118.14 1hqa h ALA 61 Ca 0.20 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1hqa h ALA 61 Cb 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1hqa h ALA 61 CO -0.03 0.58 -0.07 -0.09 0.00 0.00 0.00 179.25 179.64 1hqa h ARG 62 N 0.47 -0.19 -0.40 0.00 2.43 -0.75 -1.32 114.38 114.62 1hqa h ARG 62 Ca 0.06 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.33 1hqa h ARG 62 Cb 0.71 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.22 1hqa h ARG 62 CO 0.05 0.16 -0.13 -0.91 -1.51 0.00 0.00 179.97 177.63 1hqa h ASN 63 N -0.58 -0.47 0.32 -3.80 2.35 -1.00 0.34 115.58 112.74 1hqa h ASN 63 Ca -0.02 0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1hqa h ASN 63 Cb 0.44 0.29 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1hqa h ASN 63 CO 0.03 -0.17 -0.16 0.22 -1.65 0.00 0.00 177.43 175.71 1hqa h TYR 64 N -0.05 -0.40 0.00 1.19 5.03 -1.42 -1.99 116.97 119.33 1hqa h TYR 64 Ca 0.20 -0.01 -0.22 0.00 2.58 0.00 0.00 58.73 61.28 1hqa h TYR 64 Cb 0.34 0.13 -0.03 0.00 1.55 0.00 0.00 36.73 38.72 1hqa h TYR 64 CO -0.38 -0.11 -1.19 0.00 -1.32 0.00 0.00 178.16 175.16 1hqa h ALA 65 N -0.11 0.54 0.00 1.82 0.00 -1.10 -0.21 119.26 120.21 1hqa h ALA 65 Ca -0.04 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.85 1hqa h ALA 65 Cb 0.48 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1hqa h ALA 65 CO 0.07 1.25 0.00 0.39 0.00 0.00 0.00 179.25 180.96 1hqa n GLU 66 N -3.21 3.02 0.00 0.00 -0.58 0.11 -4.85 120.64 115.13 1hqa n GLU 66 Ca -0.06 -0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.45 1hqa n GLU 66 Cb 0.94 -0.73 0.00 0.00 -0.57 0.00 0.00 31.44 31.08 1hqa n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1hqa n GLY 67 N 0.50 -1.19 0.36 0.62 0.00 -0.47 -3.21 105.19 101.80 1hqa n GLY 67 Ca 0.00 -1.46 0.15 0.00 0.00 0.00 0.00 46.02 44.71 1hqa n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqa h ALA 68 N 0.00 1.76 -0.12 4.61 0.00 -1.79 0.25 119.26 123.97 1hqa h ALA 68 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1hqa h ALA 68 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1hqa h ALA 68 CO 0.00 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.52 1hqa n GLY 69 N -1.35 0.21 0.00 0.00 0.00 -1.26 -4.91 105.19 97.88 1hqa n GLY 69 Ca 0.24 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1hqa n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqa n GLY 70 N 1.15 -2.38 3.64 -0.02 0.00 0.89 -0.42 105.19 108.05 1hqa n GLY 70 Ca 0.17 -1.44 -0.07 0.00 0.00 0.00 0.00 46.02 44.68 1hqa n GLY 70 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1hqa s PHE 71 N -0.78 -0.88 -0.35 1.61 5.36 -1.26 -4.58 117.98 117.10 1hqa s PHE 71 Ca 0.00 1.82 -0.28 0.00 -0.96 0.00 0.00 56.93 57.51 1hqa s PHE 71 Cb 0.00 0.50 0.02 0.00 -0.34 0.00 0.00 43.02 43.20 1hqa s PHE 71 CO 0.00 -0.43 1.03 -0.06 -1.46 0.00 0.00 175.22 174.29 1hqa s PHE 72 N 1.29 3.09 0.54 10.12 0.08 -1.26 -4.91 117.98 126.93 1hqa s PHE 72 Ca -0.07 1.00 0.26 0.00 0.12 0.00 0.00 56.93 58.24 1hqa s PHE 72 Cb -0.05 -3.74 1.43 0.00 -0.57 0.00 0.00 43.02 40.08 1hqa s PHE 72 CO -0.15 -0.83 1.99 0.87 -0.10 0.00 0.00 175.22 177.00 1hqa h LYS 73 N 8.33 0.00 0.00 0.44 1.79 -1.96 -2.20 116.57 122.97 1hqa h LYS 73 Ca -0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 1hqa h LYS 73 Cb 1.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1hqa h LYS 73 CO 1.02 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.80 1hqa n GLY 74 N -1.61 -0.13 0.37 3.86 0.00 -1.26 -4.25 105.19 102.16 1hqa n GLY 74 Ca 0.09 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.31 1hqa n GLY 74 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1hqa h ILE 75 N 0.00 0.50 -0.01 -0.61 2.04 -1.80 -0.89 117.51 116.75 1hqa h ILE 75 Ca 0.00 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1hqa h ILE 75 Cb 0.00 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.04 1hqa h ILE 75 CO 0.00 0.09 -0.45 0.47 0.00 0.00 0.00 178.15 178.26 1hqa n ASP 76 N -4.82 1.09 -0.03 1.72 8.00 -0.83 -4.17 116.55 117.51 1hqa n ASP 76 Ca 0.27 -0.87 0.14 0.00 0.71 0.00 0.00 54.79 55.04 1hqa n ASP 76 Cb 0.82 0.33 0.62 0.00 -0.02 0.00 0.00 41.12 42.88 1hqa n ASP 76 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1hqa n ALA 77 N -0.83 2.61 -2.34 2.24 0.00 -0.34 -4.81 120.51 117.04 1hqa n ALA 77 Ca 0.09 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 1hqa n ALA 77 Cb 0.37 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.38 1hqa n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1hqa s LEU 78 N -2.75 4.28 0.36 0.00 1.02 -1.25 -1.42 118.68 118.91 1hqa s LEU 78 Ca 0.22 1.93 0.19 0.00 0.02 0.00 0.00 54.13 56.49 1hqa s LEU 78 Cb 0.19 -3.55 0.38 0.00 0.02 0.00 0.00 46.19 43.23 1hqa s LEU 78 CO 0.51 -0.68 1.59 1.55 0.02 0.00 0.00 176.35 179.35 1hqa h PRO 79 N 7.82 0.00 -5.01 1.29 0.13 -1.86 -3.44 132.00 130.93 1hqa h PRO 79 Ca -0.35 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.14 1hqa h PRO 79 Cb 1.16 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.07 1hqa h PRO 79 CO 0.91 0.33 -0.62 -0.51 -0.23 0.00 0.00 178.00 177.87 1hqa s LEU 80 N -6.51 3.47 0.10 1.56 2.01 -1.14 -5.00 118.68 113.15 1hqa s LEU 80 Ca 0.03 -0.17 0.05 0.00 0.01 0.00 0.00 54.13 54.05 1hqa s LEU 80 Cb 0.08 -1.92 -0.03 0.00 0.01 0.00 0.00 46.19 44.33 1hqa s LEU 80 CO 0.70 0.00 -0.13 0.42 1.01 0.00 0.00 176.35 178.35 1hqa s THR 81 N 1.40 1.12 0.00 5.49 -4.23 -1.26 -0.69 115.64 117.46 1hqa s THR 81 Ca 0.05 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1hqa s THR 81 Cb -0.15 -1.30 0.00 0.00 1.34 0.00 0.00 72.50 72.39 1hqa s THR 81 CO 0.03 -0.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 1hqa n GLY 82 N 0.80 3.07 3.05 3.99 0.00 0.14 -4.02 105.19 112.22 1hqa n GLY 82 Ca -0.18 -1.02 -0.20 0.00 0.00 0.00 0.00 46.02 44.63 1hqa n GLY 82 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hqa s GLN 83 N -0.27 0.88 0.07 1.61 1.11 -0.73 -1.86 119.66 120.48 1hqa s GLN 83 Ca 0.00 -0.38 0.05 0.00 0.01 0.00 0.00 55.36 55.04 1hqa s GLN 83 Cb 0.00 -0.85 -0.03 0.00 -1.01 0.00 0.00 33.01 31.12 1hqa s GLN 83 CO 0.00 0.23 -0.14 1.52 0.01 0.00 0.00 175.29 176.90 1hqa s TYR 84 N -0.24 1.24 0.09 0.91 1.13 -0.23 -1.92 117.35 118.33 1hqa s TYR 84 Ca 0.04 -0.46 -0.13 0.00 -1.41 0.00 0.00 57.07 55.11 1hqa s TYR 84 Cb -0.04 -0.70 -0.06 0.00 -1.10 0.00 0.00 41.96 40.06 1hqa s TYR 84 CO -0.00 0.06 0.47 0.95 -2.51 0.00 0.00 175.55 174.52 1hqa s THR 85 N -1.26 4.97 -0.04 -3.49 -4.23 -0.62 -2.57 115.64 108.40 1hqa s THR 85 Ca -0.02 0.71 0.15 0.00 -1.18 0.00 0.00 61.69 61.36 1hqa s THR 85 Cb -0.10 -3.71 0.28 0.00 1.34 0.00 0.00 72.50 70.32 1hqa s THR 85 CO 0.02 0.34 1.12 0.00 -0.54 0.00 0.00 174.62 175.56 1hqa n HIS 86 N 1.07 0.00 -1.71 3.99 1.44 -1.26 -0.97 115.22 117.77 1hqa n HIS 86 Ca -0.08 -0.53 -0.38 0.00 -2.01 0.00 0.00 57.72 54.72 1hqa n HIS 86 Cb 0.52 -0.13 0.06 0.00 0.12 0.00 0.00 29.99 30.56 1hqa n HIS 86 CO 0.00 0.00 0.00 2.48 -2.81 0.00 0.00 176.34 176.01 1hqa n TYR 87 N -0.06 1.85 -2.86 -1.40 4.11 -1.26 -4.34 117.16 113.20 1hqa n TYR 87 Ca 0.07 0.43 0.00 0.00 -0.00 0.00 0.00 57.90 58.39 1hqa n TYR 87 Cb 0.90 -2.27 0.00 0.00 -0.00 0.00 0.00 39.34 37.97 1hqa n TYR 87 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1hqa n ALA 88 N -1.67 0.00 -2.43 -3.48 0.00 0.06 -4.91 120.51 108.08 1hqa n ALA 88 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.31 1hqa n ALA 88 Cb 0.47 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.79 1hqa n ALA 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1hqa s LEU 89 N 0.00 2.25 -0.10 0.00 1.43 -0.02 -0.74 118.68 121.49 1hqa s LEU 89 Ca 0.00 -0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 52.15 1hqa s LEU 89 Cb 0.00 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 45.09 1hqa s LEU 89 CO 0.00 0.17 1.11 0.21 0.23 0.00 0.00 176.35 178.07 1hqa s ASN 90 N -1.66 7.13 0.22 2.29 3.84 0.19 -4.06 114.94 122.89 1hqa s ASN 90 Ca 0.10 1.65 -0.08 0.00 0.21 0.00 0.00 52.86 54.74 1hqa s ASN 90 Cb -0.10 -2.55 0.31 0.00 -0.55 0.00 0.00 41.25 38.36 1hqa s ASN 90 CO 0.04 -0.55 1.77 0.50 -2.79 0.00 0.00 177.10 176.07 1hqa h LYS 91 N 7.37 0.54 -0.02 0.43 3.64 -1.93 0.23 116.57 126.83 1hqa h LYS 91 Ca -0.31 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 1hqa h LYS 91 Cb 1.14 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 1hqa h LYS 91 CO 0.89 0.36 -0.02 -0.22 -2.27 0.00 0.00 179.45 178.18 1hqa h LYS 92 N 0.55 0.05 0.00 1.90 1.63 -1.94 -3.37 116.57 115.40 1hqa h LYS 92 Ca 0.33 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.09 1hqa h LYS 92 Cb 0.35 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1hqa h LYS 92 CO -0.27 0.53 -1.43 0.25 -3.45 0.00 0.00 179.45 175.08 1hqa n THR 93 N -4.81 0.40 -0.98 1.00 -2.24 -1.18 -4.97 114.28 101.51 1hqa n THR 93 Ca -0.08 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1hqa n THR 93 Cb 0.27 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 1hqa n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hqa n GLY 94 N 1.23 0.87 3.91 3.38 0.00 0.81 -4.99 105.19 110.40 1hqa n GLY 94 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1hqa n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hqa s LYS 95 N -0.06 2.85 0.41 1.61 1.02 -1.26 -4.68 119.74 119.63 1hqa s LYS 95 Ca 0.00 0.14 -0.27 0.00 0.02 0.00 0.00 55.97 55.86 1hqa s LYS 95 Cb 0.00 -2.18 -0.10 0.00 -0.52 0.00 0.00 37.83 35.04 1hqa s LYS 95 CO 0.00 -0.85 1.45 -2.14 -0.92 0.00 0.00 175.35 172.89 1hqa s PRO 96 N -5.14 3.92 -0.30 -1.68 0.02 -1.26 0.57 135.00 131.13 1hqa s PRO 96 Ca 0.56 2.48 -0.00 0.00 0.02 0.00 0.00 61.00 64.05 1hqa s PRO 96 Cb -0.11 -2.82 0.06 0.00 0.02 0.00 0.00 34.50 31.65 1hqa s PRO 96 CO 0.47 -0.65 -0.01 0.34 -0.33 0.00 0.00 177.00 176.82 1hqa s ASP 97 N -0.34 4.80 0.64 2.53 -1.08 0.08 -4.52 116.67 118.78 1hqa s ASP 97 Ca 0.56 -1.38 0.37 0.00 -0.52 0.00 0.00 52.55 51.59 1hqa s ASP 97 Cb -0.45 -1.68 2.08 0.00 -1.46 0.00 0.00 42.92 41.42 1hqa s ASP 97 CO 0.59 -0.26 2.24 1.88 0.52 0.00 0.00 175.17 180.14 1hqa h TYR 98 N 7.93 0.00 -3.71 -5.34 0.05 -1.95 0.20 116.97 114.15 1hqa h TYR 98 Ca -0.19 0.00 -0.64 0.00 0.05 0.00 0.00 58.73 57.94 1hqa h TYR 98 Cb 1.05 0.00 -0.38 0.00 1.01 0.00 0.00 36.73 38.41 1hqa h TYR 98 CO 0.61 0.00 -0.77 0.08 -1.05 0.00 0.00 178.16 177.03 1hqa s VAL 99 N -4.31 1.92 0.78 -2.88 1.01 -1.26 -4.49 120.40 111.18 1hqa s VAL 99 Ca -0.05 -1.67 -0.12 0.00 0.00 0.00 0.00 61.98 60.15 1hqa s VAL 99 Cb 0.13 -2.19 0.06 0.00 0.00 0.00 0.00 36.38 34.38 1hqa s VAL 99 CO 0.43 -0.23 1.12 0.28 0.00 0.00 0.00 175.10 176.70 1hqa s THR 100 N 1.17 2.87 0.56 3.92 -1.32 -1.26 -4.80 115.64 116.78 1hqa s THR 100 Ca -0.02 0.28 0.05 0.00 -1.21 0.00 0.00 61.69 60.79 1hqa s THR 100 Cb -0.19 -3.17 0.05 0.00 -1.51 0.00 0.00 72.50 67.68 1hqa s THR 100 CO -0.07 -0.37 0.42 -0.90 -2.21 0.00 0.00 174.62 171.48 1hqa n ASP 101 N -3.30 2.81 0.23 8.08 5.75 -1.26 -4.93 116.55 123.94 1hqa n ASP 101 Ca 0.07 -2.94 0.09 0.00 -0.01 0.00 0.00 54.79 52.00 1hqa n ASP 101 Cb 0.58 -0.04 0.56 0.00 -1.03 0.00 0.00 41.12 41.19 1hqa n ASP 101 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1hqa h SER 102 N 0.68 0.00 0.08 -1.12 0.02 -1.99 -3.03 113.55 108.18 1hqa h SER 102 Ca -0.36 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1hqa h SER 102 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1hqa h SER 102 CO 0.56 0.21 -0.04 0.00 -1.14 0.00 0.00 176.83 176.43 1hqa h ALA 103 N 1.79 -0.10 -0.82 3.77 0.00 -1.87 -1.71 119.26 120.31 1hqa h ALA 103 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1hqa h ALA 103 Cb 0.50 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1hqa h ALA 103 CO 0.03 -0.23 0.43 0.00 0.00 0.00 0.00 179.25 179.48 1hqa h ALA 104 N 0.03 1.21 -0.24 0.00 0.00 -1.63 -1.47 119.26 117.16 1hqa h ALA 104 Ca -0.01 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1hqa h ALA 104 Cb 0.59 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1hqa h ALA 104 CO 0.02 0.63 -0.09 0.66 0.00 0.00 0.00 179.25 180.47 1hqa h SER 105 N 1.16 0.49 -0.50 0.00 4.64 -1.60 -1.72 113.55 116.01 1hqa h SER 105 Ca 0.29 -0.39 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 1hqa h SER 105 Cb 0.06 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 1hqa h SER 105 CO -0.04 0.77 0.27 0.00 -0.87 0.00 0.00 176.83 176.95 1hqa h ALA 106 N 0.74 1.47 -0.42 5.18 0.00 -1.14 -2.22 119.26 122.86 1hqa h ALA 106 Ca 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1hqa h ALA 106 Cb 0.57 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1hqa h ALA 106 CO 0.03 0.43 0.11 1.15 0.00 0.00 0.00 179.25 180.97 1hqa h THR 107 N 0.74 1.23 -0.46 0.00 2.02 -1.06 -1.07 112.91 114.31 1hqa h THR 107 Ca 0.19 -0.78 0.06 0.00 0.77 0.00 0.00 66.41 66.65 1hqa h THR 107 Cb 0.06 0.93 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 1hqa h THR 107 CO -0.03 0.27 0.17 0.00 0.37 0.00 0.00 175.52 176.31 1hqa h ALA 108 N 0.97 0.56 0.00 6.16 0.00 -0.71 0.10 119.26 126.34 1hqa h ALA 108 Ca 0.13 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1hqa h ALA 108 Cb 0.30 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1hqa h ALA 108 CO -0.00 -0.21 -0.20 0.11 0.00 0.00 0.00 179.25 178.95 1hqa h TRP 109 N 0.36 0.00 0.00 0.00 0.09 -1.38 -0.59 115.95 114.43 1hqa h TRP 109 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.19 1hqa h TRP 109 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.44 1hqa h TRP 109 CO -0.15 0.04 -0.80 0.66 0.09 0.00 0.00 178.44 178.28 1hqa h SER 110 N 0.00 0.00 0.00 0.11 4.64 -0.73 -3.30 113.55 114.27 1hqa h SER 110 Ca -0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1hqa h SER 110 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1hqa h SER 110 CO 0.00 0.10 -0.71 0.35 -0.87 0.00 0.00 176.83 175.71 1hqa n THR 111 N -2.22 0.00 -0.64 2.95 -2.24 0.31 -0.43 114.28 112.00 1hqa n THR 111 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1hqa n THR 111 Cb 0.47 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1hqa n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hqa n GLY 112 N 1.90 0.63 2.96 3.38 0.00 -0.23 -4.93 105.19 108.90 1hqa n GLY 112 Ca 0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.39 1hqa n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hqa s VAL 113 N -2.00 0.57 0.67 1.61 0.11 -1.25 -4.91 120.40 115.20 1hqa s VAL 113 Ca 0.00 -0.25 -0.14 0.00 -2.93 0.00 0.00 61.98 58.66 1hqa s VAL 113 Cb 0.00 -0.52 0.01 0.00 -1.53 0.00 0.00 36.38 34.34 1hqa s VAL 113 CO 0.00 0.19 1.11 -0.54 -3.33 0.00 0.00 175.10 172.52 1hqa s LYS 114 N 0.22 2.73 0.18 1.54 -0.14 -1.26 -3.85 119.74 119.17 1hqa s LYS 114 Ca -0.03 1.36 -0.02 0.00 -1.36 0.00 0.00 55.97 55.91 1hqa s LYS 114 Cb -0.07 -1.94 0.01 0.00 -1.68 0.00 0.00 37.83 34.14 1hqa s LYS 114 CO -0.00 -1.30 0.28 -2.37 -0.76 0.00 0.00 175.35 171.21 1hqa n THR 115 N -2.57 0.00 -3.50 2.17 5.66 -1.26 -4.47 114.28 110.31 1hqa n THR 115 Ca 0.10 -0.81 -0.27 0.00 -3.05 0.00 0.00 64.05 60.02 1hqa n THR 115 Cb 0.52 0.55 -0.03 0.00 -1.55 0.00 0.00 70.33 69.82 1hqa n THR 115 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1hqa s TYR 116 N -4.33 3.48 0.21 1.09 1.13 -1.26 -0.84 117.35 116.84 1hqa s TYR 116 Ca 0.13 0.44 -0.32 0.00 -1.41 0.00 0.00 57.07 55.91 1hqa s TYR 116 Cb -0.01 -1.95 -0.13 0.00 -1.10 0.00 0.00 41.96 38.77 1hqa s TYR 116 CO 0.10 0.25 1.59 0.09 -2.51 0.00 0.00 175.55 175.06 1hqa n ASN 117 N -1.03 3.37 0.00 -0.18 3.02 -1.26 -1.88 115.26 117.30 1hqa n ASN 117 Ca -0.04 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.61 1hqa n ASN 117 Cb 0.54 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.23 1hqa n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1hqa n GLY 118 N 3.13 1.41 3.82 7.41 0.00 -1.26 -4.93 105.19 114.77 1hqa n GLY 118 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1hqa n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqa s ALA 119 N -2.40 3.40 -0.16 4.61 0.00 -0.79 0.11 121.76 126.53 1hqa s ALA 119 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1hqa s ALA 119 Cb 0.00 -2.80 0.03 0.00 0.00 0.00 0.00 23.12 20.36 1hqa s ALA 119 CO 0.00 0.33 -0.10 -0.51 0.00 0.00 0.00 175.76 175.49 1hqa s LEU 120 N -2.21 1.70 -0.75 0.00 1.43 -0.85 -3.65 118.68 114.35 1hqa s LEU 120 Ca 0.45 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1hqa s LEU 120 Cb -0.15 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.01 1hqa s LEU 120 CO 0.20 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.27 1hqa n GLY 121 N 4.81 0.86 3.09 -3.19 0.00 -1.25 -0.92 105.19 108.59 1hqa n GLY 121 Ca -0.14 -0.28 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 1hqa n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hqa s VAL 122 N -2.03 0.48 0.00 1.61 -7.23 -1.26 -2.29 120.40 109.68 1hqa s VAL 122 Ca 0.00 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 1hqa s VAL 122 Cb 0.00 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.87 1hqa s VAL 122 CO 0.00 -0.67 0.00 -0.90 -0.31 0.00 0.00 175.10 173.22 1hqa n ASP 123 N 0.75 0.00 0.14 4.85 5.68 -0.00 -4.79 116.55 123.19 1hqa n ASP 123 Ca -0.18 -0.68 0.12 0.00 -0.50 0.00 0.00 54.79 53.55 1hqa n ASP 123 Cb 0.58 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 41.07 1hqa n ASP 123 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 1hqa h ILE 124 N -0.36 0.00 -0.09 2.12 3.07 -1.91 -1.12 117.51 119.23 1hqa h ILE 124 Ca 0.00 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 66.17 1hqa h ILE 124 Cb 0.00 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 37.52 1hqa h ILE 124 CO 0.00 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.51 1hqa n HIS 125 N -2.30 0.10 -1.51 0.16 8.25 -1.26 -4.91 115.22 113.75 1hqa n HIS 125 Ca 0.02 -0.05 -0.10 0.00 -0.26 0.00 0.00 57.72 57.33 1hqa n HIS 125 Cb 0.22 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 1hqa n HIS 125 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1hqa n GLU 126 N 0.45 -0.69 -3.28 -0.41 1.02 -0.42 -5.02 120.64 112.28 1hqa n GLU 126 Ca 0.18 0.74 -0.39 0.00 -0.02 0.00 0.00 57.16 57.67 1hqa n GLU 126 Cb 0.39 -4.68 -0.06 0.00 -0.02 0.00 0.00 31.44 27.07 1hqa n GLU 126 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1hqa s LYS 127 N -3.24 4.20 0.52 3.49 2.20 -1.26 -4.75 119.74 120.91 1hqa s LYS 127 Ca 0.00 0.70 -0.19 0.00 -0.36 0.00 0.00 55.97 56.12 1hqa s LYS 127 Cb 0.00 -3.26 -0.07 0.00 -1.51 0.00 0.00 37.83 32.99 1hqa s LYS 127 CO 0.00 0.59 1.05 -0.51 -0.36 0.00 0.00 175.35 176.12 1hqa s ASP 128 N -0.92 6.11 -0.00 1.43 1.01 -1.26 -0.82 116.67 122.22 1hqa s ASP 128 Ca 0.29 1.92 0.00 0.00 0.71 0.00 0.00 52.55 55.47 1hqa s ASP 128 Cb -0.19 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.19 1hqa s ASP 128 CO 0.18 -0.94 -0.01 -1.00 0.21 0.00 0.00 175.17 173.61 1hqa s HIS 129 N -2.10 0.11 0.43 4.23 3.76 -0.97 -4.89 115.29 115.87 1hqa s HIS 129 Ca 0.67 -0.01 -0.25 0.00 -0.15 0.00 0.00 55.06 55.32 1hqa s HIS 129 Cb -0.17 -0.09 -0.08 0.00 1.11 0.00 0.00 32.58 33.35 1hqa s HIS 129 CO 0.26 -0.01 1.29 -1.25 -0.85 0.00 0.00 174.74 174.17 1hqa s PRO 130 N 0.08 3.84 0.46 8.40 0.04 -1.26 -4.83 135.00 141.73 1hqa s PRO 130 Ca -0.01 2.11 -0.03 0.00 0.04 0.00 0.00 61.00 63.11 1hqa s PRO 130 Cb -0.02 -2.65 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 1hqa s PRO 130 CO -0.00 -0.58 0.74 0.95 0.04 0.00 0.00 177.00 178.14 1hqa s THR 131 N -1.31 4.67 0.44 1.26 -4.23 -1.26 -4.43 115.64 110.78 1hqa s THR 131 Ca 0.60 -0.05 0.11 0.00 -1.18 0.00 0.00 61.69 61.17 1hqa s THR 131 Cb -0.37 -3.76 0.23 0.00 1.34 0.00 0.00 72.50 69.93 1hqa s THR 131 CO 0.47 -0.68 2.04 -0.29 -0.54 0.00 0.00 174.62 175.62 1hqa h ILE 132 N 0.30 1.10 -0.17 2.99 6.09 -1.07 -0.22 117.51 126.53 1hqa h ILE 132 Ca -0.47 -0.35 -0.15 0.00 -1.37 0.00 0.00 64.86 62.52 1hqa h ILE 132 Cb 1.22 0.96 0.00 0.00 0.47 0.00 0.00 36.82 39.47 1hqa h ILE 132 CO 0.61 0.12 -0.46 0.25 -3.07 0.00 0.00 178.15 175.60 1hqa h LEU 133 N 0.22 0.70 -0.81 2.19 6.46 -1.85 0.26 115.31 122.48 1hqa h LEU 133 Ca 0.05 -0.58 -0.00 0.00 -0.12 0.00 0.00 57.88 57.23 1hqa h LEU 133 Cb 0.13 -0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 39.82 1hqa h LEU 133 CO 0.00 1.16 0.50 -0.33 -0.62 0.00 0.00 178.44 179.14 1hqa h GLU 134 N 0.28 1.10 -0.43 1.25 5.08 -1.64 -0.78 114.58 119.44 1hqa h GLU 134 Ca -0.01 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 1hqa h GLU 134 Cb 1.08 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1hqa h GLU 134 CO 0.10 0.77 -0.15 0.52 -1.00 0.00 0.00 179.01 179.25 1hqa h MET 135 N 1.11 0.86 -0.40 2.33 2.86 -0.86 -1.11 114.93 119.72 1hqa h MET 135 Ca 0.29 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1hqa h MET 135 Cb -0.05 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1hqa h MET 135 CO -0.06 0.99 0.25 0.00 1.06 0.00 0.00 176.91 179.15 1hqa h ALA 136 N 0.85 0.51 -0.54 6.32 0.00 -0.09 -1.90 119.26 124.41 1hqa h ALA 136 Ca 0.10 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1hqa h ALA 136 Cb 0.70 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1hqa h ALA 136 CO 0.05 -0.02 0.35 -0.22 0.00 0.00 0.00 179.25 179.42 1hqa h LYS 137 N 0.53 0.70 -0.46 0.00 3.64 -1.02 -1.04 116.57 118.92 1hqa h LYS 137 Ca 0.14 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1hqa h LYS 137 Cb -0.02 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 1hqa h LYS 137 CO -0.03 0.46 0.29 0.00 -2.27 0.00 0.00 179.45 177.91 1hqa h ALA 138 N 1.20 1.65 -0.00 5.00 0.00 -0.76 0.24 119.26 126.58 1hqa h ALA 138 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1hqa h ALA 138 Cb -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1hqa h ALA 138 CO -0.05 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1hqa n ALA 139 N -2.47 2.67 -0.59 0.00 0.00 -0.46 -4.90 120.51 114.77 1hqa n ALA 139 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1hqa n ALA 139 Cb 0.06 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1hqa n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hqa n GLY 140 N 0.95 0.70 3.86 0.00 0.00 0.84 -5.06 105.19 106.48 1hqa n GLY 140 Ca 0.22 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1hqa n GLY 140 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hqa s LEU 141 N 0.00 4.04 0.60 0.99 1.02 -0.82 -4.75 118.68 119.76 1hqa s LEU 141 Ca 0.00 1.22 -0.16 0.00 0.02 0.00 0.00 54.13 55.21 1hqa s LEU 141 Cb 0.00 -4.03 -0.03 0.00 0.02 0.00 0.00 46.19 42.15 1hqa s LEU 141 CO 0.00 -0.22 1.08 0.00 0.02 0.00 0.00 176.35 177.23 1hqa s ALA 142 N -2.03 2.66 0.01 4.21 0.00 -0.10 -4.17 121.76 122.34 1hqa s ALA 142 Ca 0.53 0.50 0.02 0.00 0.00 0.00 0.00 51.96 53.01 1hqa s ALA 142 Cb -0.10 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1hqa s ALA 142 CO 0.20 -0.93 -0.06 0.95 0.00 0.00 0.00 175.76 175.92 1hqa s THR 143 N -2.32 0.48 0.01 0.00 -4.23 -1.26 -1.13 115.64 107.19 1hqa s THR 143 Ca 0.66 -0.56 -0.01 0.00 -1.18 0.00 0.00 61.69 60.60 1hqa s THR 143 Cb -0.18 -0.47 -0.01 0.00 1.34 0.00 0.00 72.50 73.18 1hqa s THR 143 CO 0.36 -0.07 0.01 -0.83 -0.54 0.00 0.00 174.62 173.56 1hqa s GLY 144 N -0.68 0.12 -0.18 3.99 0.00 0.15 -1.73 107.32 108.98 1hqa s GLY 144 Ca -0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 44.72 44.37 1hqa s GLY 144 CO 0.00 -0.34 0.07 0.21 0.00 0.00 0.00 173.10 173.05 1hqa s ASN 145 N -0.87 2.57 -0.01 1.64 2.47 -0.40 -1.53 114.94 118.81 1hqa s ASN 145 Ca -0.10 -0.71 0.06 0.00 0.42 0.00 0.00 52.86 52.54 1hqa s ASN 145 Cb -0.06 -0.37 -0.02 0.00 -1.45 0.00 0.00 41.25 39.36 1hqa s ASN 145 CO -0.00 -0.34 -0.20 -0.69 -3.72 0.00 0.00 177.10 172.15 1hqa s VAL 146 N 2.04 1.54 0.14 -5.21 1.01 0.75 -2.00 120.40 118.68 1hqa s VAL 146 Ca 0.01 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 60.94 1hqa s VAL 146 Cb -0.16 -1.28 0.06 0.00 0.00 0.00 0.00 36.38 34.99 1hqa s VAL 146 CO -0.09 0.43 0.54 -0.55 0.00 0.00 0.00 175.10 175.42 1hqa s SER 147 N -0.47 -0.47 0.00 3.32 0.15 -0.42 -0.43 113.70 115.38 1hqa s SER 147 Ca 0.07 -0.07 0.24 0.00 0.70 0.00 0.00 55.95 56.90 1hqa s SER 147 Cb -0.08 0.56 0.29 0.00 -1.71 0.00 0.00 66.02 65.08 1hqa s SER 147 CO -0.01 -0.92 1.27 0.35 1.20 0.00 0.00 173.24 175.14 1hqa n THR 148 N -0.27 0.00 -2.16 6.45 -2.24 -1.13 -3.93 114.28 111.01 1hqa n THR 148 Ca -0.17 -0.19 -0.14 0.00 -2.27 0.00 0.00 64.05 61.28 1hqa n THR 148 Cb 0.64 0.88 0.08 0.00 -2.10 0.00 0.00 70.33 69.84 1hqa n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hqa n ALA 149 N -0.38 -0.20 -1.77 6.98 0.00 -1.26 -0.63 120.51 123.25 1hqa n ALA 149 Ca 0.10 -1.07 -0.39 0.00 0.00 0.00 0.00 53.44 52.07 1hqa n ALA 149 Cb 0.41 0.11 -0.01 0.00 0.00 0.00 0.00 19.45 19.96 1hqa n ALA 149 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1hqa s GLU 150 N -4.16 4.08 0.42 0.00 2.02 -1.26 -0.80 118.70 119.00 1hqa s GLU 150 Ca 0.39 2.01 0.29 0.00 0.02 0.00 0.00 54.97 57.68 1hqa s GLU 150 Cb -0.02 -2.78 1.45 0.00 0.10 0.00 0.00 34.13 32.88 1hqa s GLU 150 CO 0.27 -0.35 1.89 -0.07 0.02 0.00 0.00 175.26 177.01 1hqa h LEU 151 N 2.79 0.00 -0.16 1.80 -0.00 -1.39 -0.48 115.31 117.87 1hqa h LEU 151 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.39 1hqa h LEU 151 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.90 1hqa h LEU 151 CO 0.63 0.00 -0.18 0.00 -0.00 0.00 0.00 178.44 178.89 1hqa n GLN 152 N -2.56 0.42 -1.23 1.13 3.00 -1.26 -3.84 117.38 113.04 1hqa n GLN 152 Ca -0.01 -0.16 -0.32 0.00 -0.01 0.00 0.00 57.00 56.51 1hqa n GLN 152 Cb 0.13 -1.50 0.10 0.00 0.00 0.00 0.00 30.24 28.98 1hqa n GLN 152 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1hqa s ASP 153 N -2.69 4.13 0.26 1.08 2.15 -0.19 -4.71 116.67 116.71 1hqa s ASP 153 Ca 0.22 2.04 -0.07 0.00 0.43 0.00 0.00 52.55 55.18 1hqa s ASP 153 Cb 0.19 -2.55 0.47 0.00 -0.30 0.00 0.00 42.92 40.73 1hqa s ASP 153 CO 0.54 -2.29 1.60 0.00 -0.17 0.00 0.00 175.17 174.85 1hqa h ALA 154 N -0.98 0.76 0.55 3.66 0.00 -1.89 -2.16 119.26 119.19 1hqa h ALA 154 Ca -0.45 0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1hqa h ALA 154 Cb 1.25 0.56 0.01 0.00 0.00 0.00 0.00 17.79 19.61 1hqa h ALA 154 CO 0.49 -0.44 -0.27 1.15 0.00 0.00 0.00 179.25 180.18 1hqa h THR 155 N 0.04 0.42 0.00 0.00 2.02 -1.91 -1.96 112.91 111.51 1hqa h THR 155 Ca 0.45 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 67.35 1hqa h THR 155 Cb 0.78 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1hqa h THR 155 CO -0.81 0.03 -0.44 1.55 0.37 0.00 0.00 175.52 176.21 1hqa h PRO 156 N -0.87 0.00 -0.49 6.66 0.13 -1.82 -3.30 132.00 132.31 1hqa h PRO 156 Ca -0.08 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.97 1hqa h PRO 156 Cb 0.62 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.73 1hqa h PRO 156 CO 0.12 0.44 -0.02 0.00 -0.23 0.00 0.00 178.00 178.31 1hqa h ALA 157 N 1.56 1.03 0.00 -0.56 0.00 -1.33 -2.88 119.26 117.08 1hqa h ALA 157 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1hqa h ALA 157 Cb 1.13 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1hqa h ALA 157 CO 0.06 0.60 0.04 0.00 0.00 0.00 0.00 179.25 179.94 1hqa h ALA 158 N 1.19 1.03 0.00 0.00 0.00 -1.43 -0.46 119.26 119.60 1hqa h ALA 158 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1hqa h ALA 158 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1hqa h ALA 158 CO 0.03 -0.03 -0.46 -0.07 0.00 0.00 0.00 179.25 178.71 1hqa h LEU 159 N 0.00 0.00 -0.40 0.00 4.07 -1.70 -3.40 115.31 113.88 1hqa h LEU 159 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1hqa h LEU 159 Cb 0.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.81 1hqa h LEU 159 CO 0.00 0.33 0.00 1.33 -1.08 0.00 0.00 178.44 179.02 1hqa n VAL 160 N -3.12 0.00 -4.18 1.22 0.24 -0.47 -4.35 118.33 107.66 1hqa n VAL 160 Ca 0.01 -0.27 -0.13 0.00 -2.04 0.00 0.00 64.34 61.91 1hqa n VAL 160 Cb 0.67 1.33 -0.10 0.00 -1.47 0.00 0.00 33.84 34.27 1hqa n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1hqa s ALA 161 N -0.14 1.09 -0.24 2.33 0.00 -0.30 -4.26 121.76 120.23 1hqa s ALA 161 Ca 0.00 -1.27 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 1hqa s ALA 161 Cb 0.00 0.08 0.08 0.00 0.00 0.00 0.00 23.12 23.27 1hqa s ALA 161 CO 0.00 -0.11 0.09 -1.01 0.00 0.00 0.00 175.76 174.73 1hqa s HIS 162 N -2.91 0.74 0.03 0.00 0.09 -1.25 -3.86 115.29 108.12 1hqa s HIS 162 Ca 0.08 -0.89 -0.04 0.00 -0.00 0.00 0.00 55.06 54.22 1hqa s HIS 162 Cb 0.00 -1.03 -0.01 0.00 -0.00 0.00 0.00 32.58 31.54 1hqa s HIS 162 CO -0.01 -0.70 0.05 0.14 -0.00 0.00 0.00 174.74 174.22 1hqa s VAL 163 N 1.96 0.13 -1.00 -0.90 -7.23 -0.10 -4.93 120.40 108.32 1hqa s VAL 163 Ca 0.05 -1.06 0.23 0.00 -1.81 0.00 0.00 61.98 59.39 1hqa s VAL 163 Cb -0.17 -0.71 0.20 0.00 0.56 0.00 0.00 36.38 36.26 1hqa s VAL 163 CO -0.20 -0.58 1.75 0.35 -0.31 0.00 0.00 175.10 176.11 1hqa n THR 164 N 1.04 0.39 -3.70 5.32 -2.24 -1.26 -2.01 114.28 111.81 1hqa n THR 164 Ca -0.20 0.10 -0.11 0.00 -2.27 0.00 0.00 64.05 61.56 1hqa n THR 164 Cb 0.57 -0.69 -0.12 0.00 -2.10 0.00 0.00 70.33 67.99 1hqa n THR 164 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1hqa s SER 165 N -3.00 -0.34 0.62 3.42 0.15 -1.25 -4.37 113.70 108.93 1hqa s SER 165 Ca 0.11 0.74 0.30 0.00 0.70 0.00 0.00 55.95 57.81 1hqa s SER 165 Cb 0.15 0.68 1.66 0.00 -1.71 0.00 0.00 66.02 66.80 1hqa s SER 165 CO 0.43 -0.19 2.01 0.08 1.20 0.00 0.00 173.24 176.77 1hqa h ARG 166 N 7.31 0.00 0.00 5.44 0.11 -0.63 -1.84 114.38 124.77 1hqa h ARG 166 Ca -0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.73 1hqa h ARG 166 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 1hqa h ARG 166 CO 0.30 0.00 0.00 1.63 0.10 0.00 0.00 179.97 182.00 1hqa n LYS 167 N -3.45 0.10 -1.27 0.08 5.02 -1.26 -4.27 118.16 113.11 1hqa n LYS 167 Ca 0.02 0.34 -0.37 0.00 -2.02 0.00 0.00 58.31 56.29 1hqa n LYS 167 Cb 0.42 -1.69 -0.02 0.00 -0.02 0.00 0.00 35.03 33.71 1hqa n LYS 167 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hqa h TYR 169 N 5.61 -1.26 -2.84 0.00 -1.99 -1.88 -1.60 116.97 113.01 1hqa h TYR 169 Ca 0.72 -0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.41 1hqa h TYR 169 Cb 0.35 0.47 -0.01 0.00 2.00 0.00 0.00 36.73 39.54 1hqa h TYR 169 CO 1.78 -0.66 -0.03 0.41 -0.00 0.00 0.00 178.16 179.67 1hqa n GLY 170 N -1.57 4.03 0.36 3.88 0.00 -1.26 -1.32 105.19 109.31 1hqa n GLY 170 Ca -0.13 -1.87 -0.05 0.00 0.00 0.00 0.00 46.02 43.97 1hqa n GLY 170 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1hqa h PRO 171 N 0.00 -0.15 0.05 1.61 0.11 -1.90 -1.17 132.00 130.55 1hqa h PRO 171 Ca -0.02 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1hqa h PRO 171 Cb 0.08 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.22 1hqa h PRO 171 CO 0.03 -0.10 -0.02 0.66 -0.21 0.00 0.00 178.00 178.35 1hqa h SER 172 N -0.16 -0.06 -0.29 -2.05 4.64 -1.98 -1.38 113.55 112.28 1hqa h SER 172 Ca 0.23 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.47 1hqa h SER 172 Cb 0.56 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 1hqa h SER 172 CO -0.71 -0.04 -0.10 0.00 -0.87 0.00 0.00 176.83 175.11 1hqa h ALA 173 N 0.88 1.08 -0.08 5.18 0.00 -1.83 -3.04 119.26 121.46 1hqa h ALA 173 Ca -0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1hqa h ALA 173 Cb 0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1hqa h ALA 173 CO 0.01 0.57 0.04 1.15 0.00 0.00 0.00 179.25 181.02 1hqa h THR 174 N 0.63 1.09 -1.00 0.00 2.02 -0.98 0.79 112.91 115.46 1hqa h THR 174 Ca 0.11 -0.27 0.11 0.00 0.77 0.00 0.00 66.41 67.14 1hqa h THR 174 Cb 0.54 1.13 -0.08 0.00 -1.74 0.00 0.00 68.15 68.00 1hqa h THR 174 CO 0.03 0.08 0.63 0.28 0.37 0.00 0.00 175.52 176.92 1hqa h SER 175 N 0.02 0.94 0.10 4.18 0.02 -1.16 0.89 113.55 118.54 1hqa h SER 175 Ca 0.03 0.04 -0.23 0.00 -0.84 0.00 0.00 61.79 60.78 1hqa h SER 175 Cb 0.09 -0.15 0.02 0.00 0.14 0.00 0.00 62.40 62.51 1hqa h SER 175 CO -0.00 0.51 -0.98 -0.08 -1.14 0.00 0.00 176.83 175.14 1hqa h GLU 176 N 1.01 0.49 0.00 3.45 4.81 -1.40 -3.34 114.58 119.60 1hqa h GLU 176 Ca 0.49 -0.66 -0.27 0.00 -0.13 0.00 0.00 59.36 58.79 1hqa h GLU 176 Cb 0.45 0.22 -0.05 0.00 0.63 0.00 0.00 28.75 30.00 1hqa h GLU 176 CO -0.25 1.28 -2.13 1.63 -0.73 0.00 0.00 179.01 178.81 1hqa n LYS 177 N -3.99 1.11 -3.22 1.92 5.02 0.27 -4.64 118.16 114.62 1hqa n LYS 177 Ca -0.13 -0.03 -0.25 0.00 -2.02 0.00 0.00 58.31 55.88 1hqa n LYS 177 Cb 0.87 -1.44 -0.06 0.00 -0.02 0.00 0.00 35.03 34.37 1hqa n LYS 177 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hqa h PRO 179 N 3.70 0.27 0.00 0.00 0.11 -1.64 0.15 132.00 134.58 1hqa h PRO 179 Ca 0.14 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1hqa h PRO 179 Cb 0.71 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1hqa h PRO 179 CO 0.71 0.18 0.00 0.41 -0.21 0.00 0.00 178.00 179.08 1hqa n GLY 180 N -1.34 -0.99 0.00 -0.55 0.00 -1.26 -1.94 105.19 99.12 1hqa n GLY 180 Ca 0.12 0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.34 1hqa n GLY 180 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hqa n ASN 181 N -2.19 1.02 -4.68 1.61 4.13 0.42 -4.13 115.26 111.45 1hqa n ASN 181 Ca -0.00 -0.56 -0.47 0.00 1.68 0.00 0.00 54.58 55.23 1hqa n ASN 181 Cb 0.10 1.19 -0.04 0.00 -1.54 0.00 0.00 39.78 39.49 1hqa n ASN 181 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1hqa n ALA 182 N -1.51 1.13 -0.17 5.41 0.00 -0.60 0.55 120.51 125.33 1hqa n ALA 182 Ca 0.01 0.35 -0.02 0.00 0.00 0.00 0.00 53.44 53.78 1hqa n ALA 182 Cb 0.25 -2.44 0.05 0.00 0.00 0.00 0.00 19.45 17.31 1hqa n ALA 182 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1hqa h LEU 183 N 7.84 -0.36 -1.62 0.00 5.85 -1.89 0.42 115.31 125.56 1hqa h LEU 183 Ca -0.47 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1hqa h LEU 183 Cb 1.26 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.56 1hqa h LEU 183 CO 0.92 -0.13 0.00 1.05 -0.34 0.00 0.00 178.44 179.94 1hqa h GLU 184 N 0.05 0.00 -0.58 1.25 9.09 -1.88 -0.96 114.58 121.56 1hqa h GLU 184 Ca 0.26 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.55 1hqa h GLU 184 Cb 0.39 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.42 1hqa h GLU 184 CO -0.48 0.00 0.13 1.63 0.05 0.00 0.00 179.01 180.33 1hqa n LYS 185 N -2.60 3.73 -0.84 1.06 5.02 -0.51 -4.93 118.16 119.09 1hqa n LYS 185 Ca -0.01 -3.07 0.00 0.00 -2.02 0.00 0.00 58.31 53.21 1hqa n LYS 185 Cb 0.14 -2.13 0.00 0.00 -0.02 0.00 0.00 35.03 33.02 1hqa n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1hqa n GLY 186 N -0.11 0.96 3.87 0.72 0.00 -0.36 -4.89 105.19 105.38 1hqa n GLY 186 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 1hqa n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1hqa s GLY 187 N -1.86 1.66 0.57 -0.02 0.00 0.02 -4.97 107.32 102.72 1hqa s GLY 187 Ca 0.00 -0.87 0.35 0.00 0.00 0.00 0.00 44.72 44.20 1hqa s GLY 187 CO 0.00 -0.23 2.07 0.50 0.00 0.00 0.00 173.10 175.45 1hqa h LYS 188 N -1.47 0.00 0.00 2.90 1.57 -1.78 -3.36 116.57 114.42 1hqa h LYS 188 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1hqa h LYS 188 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1hqa h LYS 188 CO 0.52 0.03 0.00 0.41 -0.57 0.00 0.00 179.45 179.84 1hqa n GLY 189 N -0.28 2.16 3.68 3.86 0.00 0.19 -4.57 105.19 110.23 1hqa n GLY 189 Ca -0.00 -2.18 -0.29 0.00 0.00 0.00 0.00 46.02 43.55 1hqa n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1hqa s SER 190 N 0.00 2.65 0.15 1.61 1.04 -1.26 -4.70 113.70 113.20 1hqa s SER 190 Ca 0.00 1.16 -0.19 0.00 0.48 0.00 0.00 55.95 57.41 1hqa s SER 190 Cb 0.00 -1.82 0.06 0.00 0.10 0.00 0.00 66.02 64.35 1hqa s SER 190 CO 0.00 -3.11 1.67 0.40 0.98 0.00 0.00 173.24 173.18 1hqa h ILE 191 N -1.88 0.61 -0.94 -1.02 2.04 -1.17 0.13 117.51 115.29 1hqa h ILE 191 Ca -0.54 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1hqa h ILE 191 Cb 1.33 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.98 1hqa h ILE 191 CO 0.58 0.00 0.56 0.74 0.00 0.00 0.00 178.15 180.03 1hqa h THR 192 N -0.04 1.26 -0.48 -0.27 2.02 -1.45 0.19 112.91 114.13 1hqa h THR 192 Ca 0.16 -0.58 -0.12 0.00 0.77 0.00 0.00 66.41 66.65 1hqa h THR 192 Cb 0.29 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 1hqa h THR 192 CO -0.36 0.28 -0.15 -0.33 0.37 0.00 0.00 175.52 175.33 1hqa h GLU 193 N 1.30 0.95 0.00 6.66 5.08 -1.62 -0.90 114.58 126.06 1hqa h GLU 193 Ca 0.34 -0.38 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 1hqa h GLU 193 Cb -0.04 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1hqa h GLU 193 CO -0.06 1.05 -0.51 1.96 -1.00 0.00 0.00 179.01 180.45 1hqa h GLN 194 N 0.81 0.00 -0.15 2.33 4.20 -0.33 -1.44 115.11 120.53 1hqa h GLN 194 Ca 0.12 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 1hqa h GLN 194 Cb 0.71 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 1hqa h GLN 194 CO 0.05 0.51 0.06 1.25 -0.67 0.00 0.00 178.83 180.03 1hqa h LEU 195 N 0.00 0.20 -1.27 1.46 6.46 -0.24 0.24 115.31 122.16 1hqa h LEU 195 Ca -0.01 -0.16 0.02 0.00 -0.12 0.00 0.00 57.88 57.62 1hqa h LEU 195 Cb 0.98 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.82 1hqa h LEU 195 CO 0.07 0.31 0.50 -0.07 -0.62 0.00 0.00 178.44 178.63 1hqa h LEU 196 N 0.08 0.84 -0.40 2.25 4.07 -0.85 -2.43 115.31 118.87 1hqa h LEU 196 Ca 0.05 -0.02 -0.18 0.00 0.08 0.00 0.00 57.88 57.81 1hqa h LEU 196 Cb 0.17 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.70 1hqa h LEU 196 CO -0.00 0.59 -0.63 0.78 -1.08 0.00 0.00 178.44 178.10 1hqa h ASN 197 N 0.99 0.69 0.03 -0.43 2.35 -0.59 -3.22 115.58 115.39 1hqa h ASN 197 Ca 0.29 -0.40 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1hqa h ASN 197 Cb -0.04 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 1hqa h ASN 197 CO -0.07 1.14 -0.02 0.00 -1.65 0.00 0.00 177.43 176.83 1hqa h ALA 198 N 0.86 1.72 -6.64 -0.83 0.00 -0.05 -3.47 119.26 110.84 1hqa h ALA 198 Ca -0.01 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.36 1hqa h ALA 198 Cb 1.20 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.02 1hqa h ALA 198 CO 0.12 0.02 -0.98 -2.13 0.00 0.00 0.00 179.25 176.28 1hqa n ARG 199 N -4.15 -0.65 -1.34 0.00 0.63 -1.17 -4.95 116.66 105.03 1hqa n ARG 199 Ca -0.03 0.24 -0.31 0.00 -0.92 0.00 0.00 57.85 56.83 1hqa n ARG 199 Cb 0.10 -3.17 0.08 0.00 0.45 0.00 0.00 32.46 29.92 1hqa n ARG 199 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1hqa s ALA 200 N -3.49 2.30 0.13 5.13 0.00 -1.26 -4.94 121.76 119.63 1hqa s ALA 200 Ca 0.48 0.30 -0.09 0.00 0.00 0.00 0.00 51.96 52.65 1hqa s ALA 200 Cb -0.23 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 1hqa s ALA 200 CO 0.93 -1.68 1.37 -0.44 0.00 0.00 0.00 175.76 175.93 1hqa h ASP 201 N -0.95 0.83 -3.16 0.00 3.32 -1.67 -3.42 116.42 111.37 1hqa h ASP 201 Ca -0.44 -0.52 -0.55 0.00 0.02 0.00 0.00 57.03 55.54 1hqa h ASP 201 Cb 1.23 -0.24 -0.37 0.00 0.22 0.00 0.00 39.33 40.17 1hqa h ASP 201 CO 0.52 1.30 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.84 1hqa s VAL 202 N -3.81 1.18 -0.11 -1.35 1.01 -0.99 -0.37 120.40 115.96 1hqa s VAL 202 Ca -0.09 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 1hqa s VAL 202 Cb 0.09 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.33 1hqa s VAL 202 CO 0.88 0.39 -0.07 -0.89 0.00 0.00 0.00 175.10 175.42 1hqa s THR 203 N 1.65 0.99 -0.02 3.92 2.01 -0.53 -1.27 115.64 122.39 1hqa s THR 203 Ca 0.05 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.79 1hqa s THR 203 Cb -0.13 -1.01 0.01 0.00 0.01 0.00 0.00 72.50 71.38 1hqa s THR 203 CO -0.09 0.36 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.40 1hqa s LEU 204 N 1.68 1.59 0.00 4.42 1.43 -0.84 -0.72 118.68 126.23 1hqa s LEU 204 Ca 0.04 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1hqa s LEU 204 Cb -0.13 -0.33 0.00 0.00 0.03 0.00 0.00 46.19 45.76 1hqa s LEU 204 CO -0.08 -0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.10 1hqa n GLY 205 N 3.59 -0.55 0.00 -3.19 0.00 -0.70 -1.30 105.19 103.03 1hqa n GLY 205 Ca -0.21 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1hqa n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqa n GLY 206 N 0.00 3.44 0.96 -0.02 0.00 0.02 -1.06 105.19 108.53 1hqa n GLY 206 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1hqa n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hqa n GLY 207 N 5.00 1.19 0.24 -0.02 0.00 0.28 -1.07 105.19 110.81 1hqa n GLY 207 Ca 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.61 1hqa n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqa h ALA 208 N 0.00 1.47 -0.67 4.61 0.00 -0.54 -3.26 119.26 120.87 1hqa h ALA 208 Ca 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1hqa h ALA 208 Cb 0.45 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.04 1hqa h ALA 208 CO 0.00 0.37 -0.54 -0.22 0.00 0.00 0.00 179.25 178.86 1hqa h LYS 209 N 0.26 -0.21 -0.18 0.00 3.64 -1.60 0.17 116.57 118.66 1hqa h LYS 209 Ca 0.05 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1hqa h LYS 209 Cb 0.38 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1hqa h LYS 209 CO 0.02 -0.14 0.15 1.15 -2.27 0.00 0.00 179.45 178.36 1hqa h THR 210 N -0.22 0.73 0.00 1.00 2.02 -1.82 -0.76 112.91 113.87 1hqa h THR 210 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.31 1hqa h THR 210 Cb 0.53 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1hqa h THR 210 CO -0.75 0.00 0.00 0.49 0.37 0.00 0.00 175.52 175.63 1hqa n PHE 211 N -4.21 0.00 0.61 3.16 3.01 0.61 -1.27 117.46 119.37 1hqa n PHE 211 Ca 0.01 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.60 1hqa n PHE 211 Cb 0.28 -0.22 0.31 0.00 -0.01 0.00 0.00 39.48 39.83 1hqa n PHE 211 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1hqa n ALA 212 N -1.22 2.56 -1.12 4.37 0.00 -0.29 -0.83 120.51 123.98 1hqa n ALA 212 Ca 0.07 -0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.08 1hqa n ALA 212 Cb 0.09 -1.34 0.12 0.00 0.00 0.00 0.00 19.45 18.32 1hqa n ALA 212 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1hqa s GLU 213 N -3.13 1.71 -0.04 0.00 2.02 -0.40 -4.71 118.70 114.16 1hqa s GLU 213 Ca 0.09 1.15 0.04 0.00 0.02 0.00 0.00 54.97 56.27 1hqa s GLU 213 Cb 0.13 -1.84 -0.03 0.00 0.10 0.00 0.00 34.13 32.50 1hqa s GLU 213 CO 0.65 -2.02 -0.14 0.95 0.02 0.00 0.00 175.26 174.72 1hqa s THR 214 N -2.85 3.10 0.26 3.63 -4.23 -1.26 -0.39 115.64 113.89 1hqa s THR 214 Ca 0.63 -0.77 -0.30 0.00 -1.18 0.00 0.00 61.69 60.07 1hqa s THR 214 Cb -0.19 -2.23 -0.10 0.00 1.34 0.00 0.00 72.50 71.32 1hqa s THR 214 CO 0.57 0.55 1.46 0.00 -0.54 0.00 0.00 174.62 176.66 1hqa s ALA 215 N -0.77 3.64 -0.99 3.99 0.00 -0.60 -4.82 121.76 122.20 1hqa s ALA 215 Ca 0.12 1.36 0.28 0.00 0.00 0.00 0.00 51.96 53.72 1hqa s ALA 215 Cb -0.11 -3.57 0.99 0.00 0.00 0.00 0.00 23.12 20.44 1hqa s ALA 215 CO 0.01 -0.77 1.76 0.25 0.00 0.00 0.00 175.76 177.01 1hqa n THR 216 N 2.28 0.01 -3.48 0.00 -2.24 -1.26 -0.93 114.28 108.65 1hqa n THR 216 Ca 0.07 -0.01 -0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1hqa n THR 216 Cb 0.40 -0.25 0.01 0.00 -2.10 0.00 0.00 70.33 68.39 1hqa n THR 216 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hqa n ALA 217 N -1.51 -1.02 -0.36 6.98 0.00 -1.26 -4.79 120.51 118.55 1hqa n ALA 217 Ca 0.06 -0.58 0.04 0.00 0.00 0.00 0.00 53.44 52.97 1hqa n ALA 217 Cb 0.34 0.42 -0.01 0.00 0.00 0.00 0.00 19.45 20.20 1hqa n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hqa n GLY 218 N -0.29 -2.11 0.38 0.00 0.00 -1.26 -3.01 105.19 98.89 1hqa n GLY 218 Ca -0.03 -1.42 0.22 0.00 0.00 0.00 0.00 46.02 44.79 1hqa n GLY 218 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1hqa h GLU 219 N 0.00 0.42 -0.61 1.61 5.08 -2.01 0.28 114.58 119.35 1hqa h GLU 219 Ca 0.01 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 1hqa h GLU 219 Cb 0.29 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 1hqa h GLU 219 CO 0.00 0.28 0.14 0.91 -1.00 0.00 0.00 179.01 179.34 1hqa n TRP 220 N -4.79 2.08 -1.60 4.33 8.01 -1.26 -4.99 117.44 119.22 1hqa n TRP 220 Ca 0.28 -1.05 -0.45 0.00 -1.31 0.00 0.00 57.50 54.96 1hqa n TRP 220 Cb 0.88 -0.58 -0.02 0.00 -2.01 0.00 0.00 31.31 29.58 1hqa n TRP 220 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 1hqa n GLN 221 N -0.04 1.38 0.00 -0.99 7.27 0.08 -0.76 117.38 124.33 1hqa n GLN 221 Ca 0.34 0.49 0.00 0.00 0.07 0.00 0.00 57.00 57.90 1hqa n GLN 221 Cb 1.25 -1.92 0.00 0.00 2.41 0.00 0.00 30.24 31.99 1hqa n GLN 221 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1hqa n GLY 222 N 1.48 3.00 3.86 1.69 0.00 -0.11 -4.90 105.19 110.20 1hqa n GLY 222 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1hqa n GLY 222 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hqa s LYS 223 N -0.07 3.93 0.70 1.61 3.01 0.06 -4.84 119.74 124.15 1hqa s LYS 223 Ca 0.00 0.52 -0.11 0.00 -1.01 0.00 0.00 55.97 55.37 1hqa s LYS 223 Cb 0.00 -2.51 0.01 0.00 -1.01 0.00 0.00 37.83 34.32 1hqa s LYS 223 CO 0.00 0.22 1.06 0.95 0.51 0.00 0.00 175.35 178.09 1hqa s THR 224 N -1.92 3.94 0.44 2.17 -4.23 -1.26 -1.56 115.64 113.22 1hqa s THR 224 Ca 0.52 0.63 0.10 0.00 -1.18 0.00 0.00 61.69 61.75 1hqa s THR 224 Cb -0.11 -3.47 0.27 0.00 1.34 0.00 0.00 72.50 70.53 1hqa s THR 224 CO 0.19 -0.82 2.08 -0.07 -0.54 0.00 0.00 174.62 175.46 1hqa h LEU 225 N -0.68 0.34 0.02 4.79 4.07 -0.40 -0.68 115.31 122.78 1hqa h LEU 225 Ca -0.45 -0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.50 1hqa h LEU 225 Cb 1.22 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1hqa h LEU 225 CO 0.60 0.25 -0.01 -0.09 -1.08 0.00 0.00 178.44 178.10 1hqa h ARG 226 N 0.41 -0.03 -0.12 1.13 2.43 -1.25 -0.96 114.38 115.98 1hqa h ARG 226 Ca 0.11 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.32 1hqa h ARG 226 Cb -0.04 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 1hqa h ARG 226 CO -0.02 0.07 -0.11 0.93 -1.51 0.00 0.00 179.97 179.32 1hqa h GLU 227 N -0.12 -0.13 -0.99 0.20 5.08 -1.62 -0.39 114.58 116.61 1hqa h GLU 227 Ca -0.00 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.53 1hqa h GLU 227 Cb 0.11 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.29 1hqa h GLU 227 CO 0.01 -0.08 0.60 0.37 -1.00 0.00 0.00 179.01 178.90 1hqa h GLN 228 N -0.13 0.79 0.01 2.33 4.15 -1.02 0.34 115.11 121.58 1hqa h GLN 228 Ca 0.08 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1hqa h GLN 228 Cb 0.25 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1hqa h GLN 228 CO -0.20 0.53 -0.01 0.00 -1.93 0.00 0.00 178.83 177.22 1hqa h ALA 229 N 1.61 -0.02 -0.41 3.38 0.00 0.31 0.26 119.26 124.40 1hqa h ALA 229 Ca 0.55 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.40 1hqa h ALA 229 Cb 0.76 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1hqa h ALA 229 CO -0.35 -0.41 0.17 1.96 0.00 0.00 0.00 179.25 180.62 1hqa h GLN 230 N -0.22 0.34 -0.92 0.00 4.20 -0.65 -0.84 115.11 117.02 1hqa h GLN 230 Ca -0.00 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.72 1hqa h GLN 230 Cb 0.21 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 1hqa h GLN 230 CO 0.00 0.22 0.60 0.00 -0.67 0.00 0.00 178.83 178.99 1hqa h ALA 231 N 1.24 1.22 0.00 3.87 0.00 -0.04 -0.58 119.26 124.98 1hqa h ALA 231 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1hqa h ALA 231 Cb 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1hqa h ALA 231 CO -0.16 0.46 0.00 0.54 0.00 0.00 0.00 179.25 180.09 1hqa n ARG 232 N -4.50 0.58 0.00 0.00 1.74 0.90 -4.88 116.66 110.49 1hqa n ARG 232 Ca 0.12 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1hqa n ARG 232 Cb 0.10 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1hqa n ARG 232 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hqa n GLY 233 N 0.90 0.97 3.78 -0.13 0.00 -0.22 -5.04 105.19 105.45 1hqa n GLY 233 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1hqa n GLY 233 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hqa s TYR 234 N -2.00 2.89 -0.28 1.61 1.51 -0.38 -4.22 117.35 116.48 1hqa s TYR 234 Ca 0.00 1.57 -0.14 0.00 -1.01 0.00 0.00 57.07 57.49 1hqa s TYR 234 Cb 0.00 -3.21 -0.04 0.00 -0.11 0.00 0.00 41.96 38.60 1hqa s TYR 234 CO 0.00 -1.18 0.32 -0.65 -1.11 0.00 0.00 175.55 172.93 1hqa s GLN 235 N -3.06 3.97 -0.20 -0.62 -0.21 0.60 -4.55 119.66 115.58 1hqa s GLN 235 Ca 0.67 -0.09 -0.08 0.00 0.02 0.00 0.00 55.36 55.88 1hqa s GLN 235 Cb -0.22 -3.67 -0.04 0.00 1.00 0.00 0.00 33.01 30.08 1hqa s GLN 235 CO 0.26 -0.27 0.09 -0.51 -2.12 0.00 0.00 175.29 172.74 1hqa s LEU 236 N 1.98 3.88 0.08 2.90 1.02 -1.26 -0.34 118.68 126.95 1hqa s LEU 236 Ca 0.13 0.07 0.07 0.00 0.02 0.00 0.00 54.13 54.42 1hqa s LEU 236 Cb -0.16 -2.00 -0.03 0.00 0.02 0.00 0.00 46.19 44.02 1hqa s LEU 236 CO 0.10 0.13 -0.18 0.68 0.02 0.00 0.00 176.35 177.11 1hqa s VAL 237 N 0.63 1.43 0.00 -1.59 -7.23 -0.88 -4.99 120.40 107.77 1hqa s VAL 237 Ca 0.05 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 58.86 1hqa s VAL 237 Cb -0.13 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.50 1hqa s VAL 237 CO 0.01 -0.08 0.55 -1.54 -0.31 0.00 0.00 175.10 173.73 1hqa n SER 238 N 1.33 0.40 -3.78 4.85 3.41 -1.26 -1.34 113.62 117.23 1hqa n SER 238 Ca -0.20 -1.19 -0.10 0.00 -0.26 0.00 0.00 58.87 57.12 1hqa n SER 238 Cb 0.54 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.44 1hqa n SER 238 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1hqa s ASP 239 N -0.19 0.14 0.15 4.04 1.47 -1.26 -4.56 116.67 116.46 1hqa s ASP 239 Ca 0.00 -1.09 -0.15 0.00 1.18 0.00 0.00 52.55 52.49 1hqa s ASP 239 Cb 0.00 0.61 0.02 0.00 -0.34 0.00 0.00 42.92 43.21 1hqa s ASP 239 CO 0.00 -1.20 1.75 0.00 0.68 0.00 0.00 175.17 176.40 1hqa h ALA 240 N 2.22 0.58 -0.26 2.11 0.00 -1.16 -0.84 119.26 121.91 1hqa h ALA 240 Ca -0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1hqa h ALA 240 Cb 1.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1hqa h ALA 240 CO 0.37 0.12 0.11 0.00 0.00 0.00 0.00 179.25 179.86 1hqa h ALA 241 N 1.09 0.34 -0.18 0.00 0.00 -1.89 0.24 119.26 118.86 1hqa h ALA 241 Ca 0.16 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1hqa h ALA 241 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1hqa h ALA 241 CO -0.02 -0.08 -0.17 0.66 0.00 0.00 0.00 179.25 179.63 1hqa h SER 242 N 0.28 0.29 -0.69 0.00 4.64 -1.95 -0.87 113.55 115.25 1hqa h SER 242 Ca 0.09 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 1hqa h SER 242 Cb 0.15 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1hqa h SER 242 CO -0.01 0.48 0.24 0.25 -0.87 0.00 0.00 176.83 176.92 1hqa h LEU 243 N 0.28 0.98 -1.39 5.97 5.85 0.22 -2.27 115.31 124.95 1hqa h LEU 243 Ca 0.05 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 1hqa h LEU 243 Cb 0.47 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1hqa h LEU 243 CO 0.03 0.91 -0.31 0.78 -0.34 0.00 0.00 178.44 179.52 1hqa h ASN 244 N 1.00 0.00 1.08 1.25 -0.26 0.55 -2.18 115.58 117.02 1hqa h ASN 244 Ca 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 1hqa h ASN 244 Cb 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 1hqa h ASN 244 CO -0.01 0.31 0.00 0.28 -1.06 0.00 0.00 177.43 176.95 1hqa h SER 245 N 0.00 0.00 -3.22 5.81 0.02 -0.60 -3.44 113.55 112.12 1hqa h SER 245 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1hqa h SER 245 Cb 0.57 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.16 1hqa h SER 245 CO 0.04 0.00 0.76 -0.69 -1.14 0.00 0.00 176.83 175.80 1hqa s VAL 246 N -3.56 2.84 -0.00 2.27 1.01 -0.82 -4.87 120.40 117.26 1hqa s VAL 246 Ca 0.02 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1hqa s VAL 246 Cb 0.09 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 1hqa s VAL 246 CO 0.53 0.09 0.01 0.35 0.00 0.00 0.00 175.10 176.08 1hqa n THR 247 N 2.94 0.00 -3.93 3.92 -2.24 -1.26 -5.03 114.28 108.68 1hqa n THR 247 Ca 0.09 -0.06 -0.12 0.00 -2.27 0.00 0.00 64.05 61.69 1hqa n THR 247 Cb 0.41 0.55 -0.13 0.00 -2.10 0.00 0.00 70.33 69.05 1hqa n THR 247 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1hqa s GLU 248 N -1.92 0.14 -0.18 -0.78 2.12 -1.26 -4.95 118.70 111.87 1hqa s GLU 248 Ca -0.00 -0.21 -0.05 0.00 0.36 0.00 0.00 54.97 55.07 1hqa s GLU 248 Cb 0.00 -0.01 0.09 0.00 0.26 0.00 0.00 34.13 34.47 1hqa s GLU 248 CO 0.02 -0.00 0.34 0.00 -0.54 0.00 0.00 175.26 175.07 1hqa s ALA 249 N -0.46 -0.84 0.14 6.30 0.00 -1.26 -4.89 121.76 120.74 1hqa s ALA 249 Ca -0.05 1.08 -0.05 0.00 0.00 0.00 0.00 51.96 52.94 1hqa s ALA 249 Cb -0.03 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.84 1hqa s ALA 249 CO -0.00 -0.84 0.29 0.27 0.00 0.00 0.00 175.76 175.48 1hqa n ASN 250 N 5.37 -0.84 0.23 0.00 0.23 -0.94 -4.83 115.26 114.48 1hqa n ASN 250 Ca -0.06 -1.58 0.13 0.00 -0.53 0.00 0.00 54.58 52.53 1hqa n ASN 250 Cb 0.50 1.40 0.75 0.00 -2.08 0.00 0.00 39.78 40.34 1hqa n ASN 250 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 1hqa h GLN 251 N 0.00 0.00 0.11 -3.83 1.08 -1.92 0.72 115.11 111.26 1hqa h GLN 251 Ca -0.12 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.76 1hqa h GLN 251 Cb 0.45 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1hqa h GLN 251 CO 0.16 0.00 -1.65 -0.56 -0.95 0.00 0.00 178.83 175.82 1hqa h GLN 252 N 0.00 0.22 -2.15 1.46 -0.00 -1.96 -3.39 115.11 109.30 1hqa h GLN 252 Ca 0.04 -0.38 -0.57 0.00 -0.00 0.00 0.00 58.65 57.74 1hqa h GLN 252 Cb 0.18 0.14 -0.41 0.00 -0.00 0.00 0.00 27.48 27.39 1hqa h GLN 252 CO -0.00 1.05 -0.80 1.63 -0.00 0.00 0.00 178.83 180.71 1hqa n LYS 253 N -3.40 2.13 -2.08 0.06 5.02 -0.49 -4.83 118.16 114.58 1hqa n LYS 253 Ca -0.20 -4.24 -0.37 0.00 -2.02 0.00 0.00 58.31 51.48 1hqa n LYS 253 Cb 1.05 -1.96 0.02 0.00 -0.02 0.00 0.00 35.03 34.11 1hqa n LYS 253 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1hqa s PRO 254 N -2.49 3.36 -0.16 1.97 0.04 0.24 -2.21 135.00 135.75 1hqa s PRO 254 Ca 0.42 1.89 -0.09 0.00 0.04 0.00 0.00 61.00 63.25 1hqa s PRO 254 Cb 0.22 -2.21 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 1hqa s PRO 254 CO -0.08 -0.91 0.15 -1.17 0.04 0.00 0.00 177.00 175.03 1hqa s LEU 255 N -3.49 4.29 -0.21 -3.56 2.96 0.50 -0.29 118.68 118.87 1hqa s LEU 255 Ca 0.70 0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 54.94 1hqa s LEU 255 Cb -0.32 -2.11 0.06 0.00 0.50 0.00 0.00 46.19 44.33 1hqa s LEU 255 CO 0.37 0.27 0.03 -0.22 -1.32 0.00 0.00 176.35 175.48 1hqa s LEU 256 N -0.21 1.48 -0.28 -0.68 2.96 0.54 -1.45 118.68 121.05 1hqa s LEU 256 Ca 0.11 -0.96 -0.08 0.00 -0.22 0.00 0.00 54.13 52.98 1hqa s LEU 256 Cb -0.12 -0.71 -0.02 0.00 0.50 0.00 0.00 46.19 45.85 1hqa s LEU 256 CO 0.01 -0.31 0.11 -0.83 -1.32 0.00 0.00 176.35 174.01 1hqa s GLY 257 N 1.77 1.82 -0.35 7.98 0.00 0.10 -2.07 107.32 116.57 1hqa s GLY 257 Ca -0.01 -1.26 -0.03 0.00 0.00 0.00 0.00 44.72 43.42 1hqa s GLY 257 CO -0.10 0.62 0.09 1.08 0.00 0.00 0.00 173.10 174.79 1hqa s LEU 258 N 1.61 4.44 0.00 0.66 1.43 -0.45 -1.71 118.68 124.66 1hqa s LEU 258 Ca 0.05 -1.48 0.18 0.00 -1.03 0.00 0.00 54.13 51.86 1hqa s LEU 258 Cb -0.16 -1.79 0.34 0.00 0.03 0.00 0.00 46.19 44.61 1hqa s LEU 258 CO 0.05 -0.37 1.27 0.49 0.23 0.00 0.00 176.35 178.02 1hqa n PHE 259 N 4.67 0.41 -3.52 0.29 3.72 -0.22 -4.32 117.46 118.49 1hqa n PHE 259 Ca -0.10 -0.26 -0.13 0.00 -0.05 0.00 0.00 57.45 56.91 1hqa n PHE 259 Cb 0.43 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.92 1hqa n PHE 259 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1hqa s ALA 260 N -1.26 -1.81 0.12 4.37 0.00 -1.26 -4.97 121.76 116.95 1hqa s ALA 260 Ca 0.31 1.25 -0.16 0.00 0.00 0.00 0.00 51.96 53.36 1hqa s ALA 260 Cb 0.18 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1hqa s ALA 260 CO 0.25 -0.45 1.58 -0.44 0.00 0.00 0.00 175.76 176.70 1hqa h ASP 261 N 2.58 0.60 0.00 0.00 3.32 -1.93 -0.62 116.42 120.36 1hqa h ASP 261 Ca -0.24 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.53 1hqa h ASP 261 Cb 1.18 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1hqa h ASP 261 CO 0.35 0.72 0.00 0.61 -1.72 0.00 0.00 179.24 179.20 1hqa n GLY 262 N -0.44 1.39 3.79 2.75 0.00 -1.26 -1.86 105.19 109.56 1hqa n GLY 262 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1hqa n GLY 262 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hqa s ASN 263 N 0.24 7.24 0.82 1.61 0.01 -1.26 -0.56 114.94 123.04 1hqa s ASN 263 Ca 0.00 1.83 -0.12 0.00 -0.71 0.00 0.00 52.86 53.86 1hqa s ASN 263 Cb 0.00 -2.57 0.09 0.00 0.41 0.00 0.00 41.25 39.18 1hqa s ASN 263 CO 0.00 -0.14 1.16 -0.04 -1.51 0.00 0.00 177.10 176.57 1hqa s MET 264 N -2.24 1.64 0.62 -0.60 -1.94 0.20 -4.92 119.30 112.05 1hqa s MET 264 Ca 0.52 1.57 -0.19 0.00 -1.71 0.00 0.00 55.69 55.89 1hqa s MET 264 Cb -0.18 -1.80 -0.02 0.00 2.01 0.00 0.00 34.83 34.85 1hqa s MET 264 CO 0.23 -2.17 1.27 -2.14 -0.01 0.00 0.00 175.02 172.20 1hqa s PRO 265 N -4.41 2.76 0.36 2.03 0.02 -1.26 -4.96 135.00 129.54 1hqa s PRO 265 Ca 0.69 2.01 -0.23 0.00 0.02 0.00 0.00 61.00 63.49 1hqa s PRO 265 Cb -0.24 -1.92 -0.10 0.00 0.02 0.00 0.00 34.50 32.25 1hqa s PRO 265 CO 0.53 -1.42 0.91 0.08 -0.33 0.00 0.00 177.00 176.77 1hqa s VAL 266 N -1.45 4.34 0.12 3.83 1.01 -1.26 -4.96 120.40 122.04 1hqa s VAL 266 Ca 0.80 1.59 -0.13 0.00 0.00 0.00 0.00 61.98 64.23 1hqa s VAL 266 Cb -0.36 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 1hqa s VAL 266 CO 0.38 -0.06 1.46 -0.09 0.00 0.00 0.00 175.10 176.79 1hqa h ARG 267 N 2.62 0.80 -6.20 2.72 2.43 -1.89 -3.42 114.38 111.43 1hqa h ARG 267 Ca -0.48 -0.40 -0.58 0.00 -0.81 0.00 0.00 59.98 57.71 1hqa h ARG 267 Cb 1.19 0.00 -0.24 0.00 -0.42 0.00 0.00 29.97 30.50 1hqa h ARG 267 CO 0.63 1.03 -0.84 -1.58 -1.51 0.00 0.00 179.97 177.71 1hqa s TRP 268 N -4.44 1.86 0.15 2.20 0.51 -1.26 -0.85 118.94 117.11 1hqa s TRP 268 Ca -0.12 -0.39 0.07 0.00 -2.12 0.00 0.00 56.10 53.54 1hqa s TRP 268 Cb 0.10 -1.07 -0.04 0.00 -0.81 0.00 0.00 33.47 31.65 1hqa s TRP 268 CO 0.85 0.15 -0.02 -0.51 -0.51 0.00 0.00 176.95 176.91 1hqa s LEU 269 N -1.51 3.29 -0.10 2.99 1.43 0.15 -3.89 118.68 121.04 1hqa s LEU 269 Ca 0.08 -0.36 -0.32 0.00 -1.03 0.00 0.00 54.13 52.49 1hqa s LEU 269 Cb -0.09 -1.98 0.12 0.00 0.03 0.00 0.00 46.19 44.27 1hqa s LEU 269 CO 0.03 0.12 1.16 -0.83 0.23 0.00 0.00 176.35 177.06 1hqa s GLY 270 N -2.71 -0.34 0.73 -3.19 0.00 -1.26 -1.73 107.32 98.82 1hqa s GLY 270 Ca 0.26 1.19 -0.11 0.00 0.00 0.00 0.00 44.72 46.06 1hqa s GLY 270 CO 0.18 0.37 1.07 2.56 0.00 0.00 0.00 173.10 177.28 1hqa s PRO 271 N -2.59 2.64 0.42 2.90 0.04 -1.26 -4.86 135.00 132.29 1hqa s PRO 271 Ca 0.10 0.80 -0.24 0.00 0.04 0.00 0.00 61.00 61.71 1hqa s PRO 271 Cb 0.00 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 1hqa s PRO 271 CO -0.05 -1.27 1.09 0.21 0.04 0.00 0.00 177.00 177.02 1hqa s LYS 272 N -5.11 4.03 0.83 4.56 2.20 -1.26 -4.51 119.74 120.48 1hqa s LYS 272 Ca 0.59 1.60 -0.12 0.00 -0.36 0.00 0.00 55.97 57.68 1hqa s LYS 272 Cb -0.14 -2.50 0.10 0.00 -1.51 0.00 0.00 37.83 33.78 1hqa s LYS 272 CO 0.54 -0.28 1.17 0.00 -0.36 0.00 0.00 175.35 176.42 1hqa s ALA 273 N -1.62 1.79 0.11 3.13 0.00 0.55 -5.01 121.76 120.71 1hqa s ALA 273 Ca 0.60 0.68 -0.09 0.00 0.00 0.00 0.00 51.96 53.14 1hqa s ALA 273 Cb -0.24 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.43 1hqa s ALA 273 CO 0.30 -2.34 0.22 -0.08 0.00 0.00 0.00 175.76 173.86 1hqa s THR 274 N -2.42 0.12 0.07 0.00 -1.32 -0.40 -4.71 115.64 106.99 1hqa s THR 274 Ca 0.69 -1.20 -0.30 0.00 -1.21 0.00 0.00 61.69 59.67 1hqa s THR 274 Cb -0.25 -1.44 -0.09 0.00 -1.51 0.00 0.00 72.50 69.20 1hqa s THR 274 CO 0.53 -0.56 1.93 -0.47 -2.21 0.00 0.00 174.62 173.85 1hqa s TYR 275 N -3.88 1.55 -1.78 9.09 5.04 -1.26 -0.56 117.35 125.55 1hqa s TYR 275 Ca 0.08 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.37 1hqa s TYR 275 Cb 0.04 -4.24 0.00 0.00 0.35 0.00 0.00 41.96 38.12 1hqa s TYR 275 CO -0.09 -5.40 0.00 0.72 -1.34 0.00 0.00 175.55 169.45 1hqa n HIS 276 N 6.93 -0.70 0.29 4.97 8.25 -1.26 -4.85 115.22 128.85 1hqa n HIS 276 Ca 0.19 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.80 1hqa n HIS 276 Cb 0.40 -3.53 0.88 0.00 1.12 0.00 0.00 29.99 28.86 1hqa n HIS 276 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1hqa h GLY 277 N 0.00 0.00 2.00 -1.41 0.00 -1.18 0.46 103.07 102.94 1hqa h GLY 277 Ca -0.43 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1hqa h GLY 277 CO 0.55 0.00 -0.18 3.45 0.00 0.00 0.00 176.54 180.36 1hqa h ASN 278 N 0.00 0.00 0.02 0.19 -1.07 -1.83 -2.52 115.58 110.37 1hqa h ASN 278 Ca -0.00 0.00 -0.36 0.00 0.07 0.00 0.00 56.30 56.01 1hqa h ASN 278 Cb 0.11 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.31 1hqa h ASN 278 CO 0.01 0.18 -2.01 -0.38 0.07 0.00 0.00 177.43 175.29 1hqa n ILE 279 N -3.20 1.57 0.06 6.14 5.41 -0.20 -4.60 119.36 124.53 1hqa n ILE 279 Ca 0.02 -0.33 -0.07 0.00 1.00 0.00 0.00 62.75 63.36 1hqa n ILE 279 Cb 0.52 -1.84 -0.12 0.00 -0.71 0.00 0.00 39.64 37.48 1hqa n ILE 279 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1hqa h ASP 280 N -0.68 0.02 -2.18 4.38 3.32 -1.12 -3.46 116.42 116.69 1hqa h ASP 280 Ca -0.52 -0.02 -0.57 0.00 0.02 0.00 0.00 57.03 55.94 1hqa h ASP 280 Cb 1.62 -0.00 -0.11 0.00 0.22 0.00 0.00 39.33 41.06 1hqa h ASP 280 CO -0.22 1.01 -0.67 -0.54 -1.72 0.00 0.00 179.24 177.10 1hqa s LYS 281 N -2.71 2.13 0.78 3.56 1.02 -0.95 -5.06 119.74 118.51 1hqa s LYS 281 Ca 0.01 -1.53 -0.11 0.00 0.02 0.00 0.00 55.97 54.36 1hqa s LYS 281 Cb 0.10 -2.05 0.06 0.00 -0.52 0.00 0.00 37.83 35.42 1hqa s LYS 281 CO 0.82 0.34 1.10 -1.25 -0.92 0.00 0.00 175.35 175.44 1hqa s PRO 282 N -3.64 2.19 0.55 -1.68 0.04 -1.26 -4.67 135.00 126.54 1hqa s PRO 282 Ca 0.31 1.21 -0.20 0.00 0.04 0.00 0.00 61.00 62.37 1hqa s PRO 282 Cb -0.06 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 1hqa s PRO 282 CO 0.19 -1.70 1.20 0.00 0.04 0.00 0.00 177.00 176.73 1hqa s ALA 283 N -2.85 2.68 0.03 8.56 0.00 -1.26 -4.72 121.76 124.19 1hqa s ALA 283 Ca 0.62 0.99 -0.00 0.00 0.00 0.00 0.00 51.96 53.57 1hqa s ALA 283 Cb -0.18 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 1hqa s ALA 283 CO 0.55 -1.01 0.14 0.08 0.00 0.00 0.00 175.76 175.52 1hqa s VAL 284 N -1.59 5.03 -0.16 0.00 1.01 0.63 -4.81 120.40 120.51 1hqa s VAL 284 Ca 0.73 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.32 1hqa s VAL 284 Cb -0.30 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1hqa s VAL 284 CO 0.33 0.25 -0.21 -0.89 0.00 0.00 0.00 175.10 174.59 1hqa s THR 285 N -1.34 2.07 0.74 3.92 2.01 -1.26 -0.57 115.64 121.21 1hqa s THR 285 Ca 0.28 -0.96 -0.13 0.00 0.31 0.00 0.00 61.69 61.18 1hqa s THR 285 Cb -0.12 -1.84 0.04 0.00 0.01 0.00 0.00 72.50 70.59 1hqa s THR 285 CO 0.20 0.55 1.13 0.00 -0.69 0.00 0.00 174.62 175.81 1hqa s THR 287 N -2.42 0.67 0.47 0.00 -1.32 -0.70 -4.98 115.64 107.37 1hqa s THR 287 Ca 0.67 -0.43 -0.24 0.00 -1.21 0.00 0.00 61.69 60.49 1hqa s THR 287 Cb -0.22 -0.58 -0.08 0.00 -1.51 0.00 0.00 72.50 70.11 1hqa s THR 287 CO 0.48 0.14 1.28 -2.65 -2.21 0.00 0.00 174.62 171.66 1hqa n PRO 288 N 2.74 1.80 -2.64 7.08 -0.02 -1.26 0.33 135.00 143.03 1hqa n PRO 288 Ca -0.14 0.65 -0.43 0.00 -2.02 0.00 0.00 63.50 61.56 1hqa n PRO 288 Cb 0.57 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.59 1hqa n PRO 288 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1hqa s ASN 289 N -0.69 7.10 0.56 2.55 3.84 -0.03 -4.62 114.94 123.65 1hqa s ASN 289 Ca 0.65 1.43 0.35 0.00 0.21 0.00 0.00 52.86 55.49 1hqa s ASN 289 Cb -0.47 -2.54 1.50 0.00 -0.55 0.00 0.00 41.25 39.19 1hqa s ASN 289 CO 0.55 -0.66 2.03 -0.65 -2.79 0.00 0.00 177.10 175.58 1hqa h PRO 290 N 7.49 0.00 0.00 0.43 0.11 -1.91 -3.00 132.00 135.12 1hqa h PRO 290 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 1hqa h PRO 290 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1hqa h PRO 290 CO 0.97 0.02 -0.36 1.04 -0.21 0.00 0.00 178.00 179.45 1hqa n GLN 291 N -3.12 0.21 -0.31 1.05 6.02 -1.26 -4.18 117.38 115.79 1hqa n GLN 291 Ca -0.00 0.10 0.15 0.00 -0.01 0.00 0.00 57.00 57.24 1hqa n GLN 291 Cb 0.28 -1.67 0.33 0.00 1.02 0.00 0.00 30.24 30.20 1hqa n GLN 291 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1hqa h ARG 292 N 0.00 0.37 -1.18 -1.09 0.11 -1.78 -3.48 114.38 107.33 1hqa h ARG 292 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1hqa h ARG 292 Cb 0.68 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.68 1hqa h ARG 292 CO 0.00 0.24 -0.29 -1.71 0.10 0.00 0.00 179.97 178.31 1hqa n ASN 293 N -5.06 -3.27 0.00 0.08 2.85 -1.26 -4.37 115.26 104.23 1hqa n ASN 293 Ca 0.24 0.44 0.13 0.00 -0.11 0.00 0.00 54.58 55.27 1hqa n ASN 293 Cb 0.71 -0.87 0.56 0.00 1.24 0.00 0.00 39.78 41.43 1hqa n ASN 293 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1hqa n ASP 294 N -1.14 0.00 0.05 1.20 2.03 -1.26 -2.13 116.55 115.30 1hqa n ASP 294 Ca 0.00 0.47 -0.02 0.00 0.52 0.00 0.00 54.79 55.77 1hqa n ASP 294 Cb 0.03 -0.49 -0.07 0.00 -0.72 0.00 0.00 41.12 39.86 1hqa n ASP 294 CO 0.00 0.00 0.00 -1.28 -1.92 0.00 0.00 177.20 174.00 1hqa h SER 295 N 0.00 0.00 -3.58 1.67 0.87 -1.97 -3.45 113.55 107.09 1hqa h SER 295 Ca 0.00 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.93 1hqa h SER 295 Cb 0.44 0.00 -0.19 0.00 -0.44 0.00 0.00 62.40 62.22 1hqa h SER 295 CO 0.00 0.67 -0.57 -0.69 -0.53 0.00 0.00 176.83 175.71 1hqa s VAL 296 N -2.86 4.76 0.62 2.23 1.01 -0.90 -0.60 120.40 124.66 1hqa s VAL 296 Ca -0.01 -0.03 -0.18 0.00 0.00 0.00 0.00 61.98 61.76 1hqa s VAL 296 Cb 0.08 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 1hqa s VAL 296 CO 0.80 0.36 1.18 -2.16 0.00 0.00 0.00 175.10 175.28 1hqa s PRO 297 N 1.19 2.85 0.73 2.72 0.04 -1.26 -4.83 135.00 136.44 1hqa s PRO 297 Ca 0.05 1.71 -0.05 0.00 0.04 0.00 0.00 61.00 62.76 1hqa s PRO 297 Cb -0.14 -1.93 0.10 0.00 0.04 0.00 0.00 34.50 32.57 1hqa s PRO 297 CO 0.04 -1.27 1.02 0.95 0.04 0.00 0.00 177.00 177.78 1hqa s THR 298 N -1.81 2.24 0.25 1.26 -4.23 -1.26 -4.88 115.64 107.21 1hqa s THR 298 Ca 0.75 -0.40 -0.04 0.00 -1.18 0.00 0.00 61.69 60.82 1hqa s THR 298 Cb -0.28 -2.84 0.13 0.00 1.34 0.00 0.00 72.50 70.86 1hqa s THR 298 CO 0.36 0.00 1.77 0.25 -0.54 0.00 0.00 174.62 176.46 1hqa h LEU 299 N -0.64 0.88 -1.03 4.79 5.85 -1.95 0.91 115.31 124.12 1hqa h LEU 299 Ca -0.41 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.04 1hqa h LEU 299 Cb 1.28 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1hqa h LEU 299 CO 0.48 0.87 -0.32 0.00 -0.34 0.00 0.00 178.44 179.14 1hqa h ALA 300 N 1.24 1.18 -0.10 1.25 0.00 -1.89 -0.97 119.26 119.97 1hqa h ALA 300 Ca 0.19 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1hqa h ALA 300 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1hqa h ALA 300 CO 0.00 0.54 -0.38 1.96 0.00 0.00 0.00 179.25 181.37 1hqa h GLN 301 N 0.26 0.43 -0.92 0.00 4.20 -1.59 -1.76 115.11 115.75 1hqa h GLN 301 Ca 0.03 -0.33 0.07 0.00 0.06 0.00 0.00 58.65 58.48 1hqa h GLN 301 Cb 0.69 0.06 -0.06 0.00 0.30 0.00 0.00 27.48 28.47 1hqa h GLN 301 CO 0.05 0.96 0.60 0.52 -0.67 0.00 0.00 178.83 180.29 1hqa h MET 302 N -0.00 1.00 -0.29 1.46 2.86 -0.64 -1.17 114.93 118.15 1hqa h MET 302 Ca -0.02 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1hqa h MET 302 Cb 1.01 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 1hqa h MET 302 CO 0.08 0.66 0.04 1.15 1.06 0.00 0.00 176.91 179.90 1hqa h THR 303 N 1.03 1.24 -0.18 2.22 2.02 -1.06 -0.33 112.91 117.84 1hqa h THR 303 Ca 0.40 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1hqa h THR 303 Cb 0.24 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1hqa h THR 303 CO -0.16 0.27 0.08 0.44 0.37 0.00 0.00 175.52 176.52 1hqa h ASP 304 N 0.31 0.23 -0.18 4.18 3.32 -0.86 0.21 116.42 123.63 1hqa h ASP 304 Ca 0.09 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1hqa h ASP 304 Cb 0.36 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1hqa h ASP 304 CO 0.01 0.30 0.10 0.50 -1.72 0.00 0.00 179.24 178.43 1hqa h LYS 305 N 0.15 0.25 -0.56 3.56 1.63 -1.10 -0.05 116.57 120.45 1hqa h LYS 305 Ca 0.06 -0.03 0.05 0.00 -0.85 0.00 0.00 60.65 59.88 1hqa h LYS 305 Cb 0.13 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.67 1hqa h LYS 305 CO -0.01 0.22 0.29 0.00 -3.45 0.00 0.00 179.45 176.51 1hqa h ALA 306 N 1.01 0.72 -0.75 5.00 0.00 -0.82 -1.15 119.26 123.28 1hqa h ALA 306 Ca 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1hqa h ALA 306 Cb 0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1hqa h ALA 306 CO -0.01 -0.05 0.36 0.82 0.00 0.00 0.00 179.25 180.38 1hqa h ILE 307 N 0.56 1.24 0.29 0.00 2.04 -0.38 -0.26 117.51 121.00 1hqa h ILE 307 Ca 0.25 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1hqa h ILE 307 Cb 0.15 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1hqa h ILE 307 CO -0.17 0.28 -0.15 -0.08 0.00 0.00 0.00 178.15 178.04 1hqa h GLU 308 N 1.07 -0.39 0.19 2.37 4.81 0.11 -0.86 114.58 121.88 1hqa h GLU 308 Ca 0.26 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1hqa h GLU 308 Cb 0.11 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1hqa h GLU 308 CO -0.03 -0.26 -0.09 -0.07 -0.73 0.00 0.00 179.01 177.83 1hqa h LEU 309 N -0.40 -0.22 -1.82 1.64 3.38 -0.96 -3.00 115.31 113.93 1hqa h LEU 309 Ca -0.04 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.80 1hqa h LEU 309 Cb 0.31 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1hqa h LEU 309 CO 0.06 0.08 0.23 -0.07 0.09 0.00 0.00 178.44 178.83 1hqa h LEU 310 N -0.52 0.19 -1.74 1.67 4.07 -1.12 -2.39 115.31 115.47 1hqa h LEU 310 Ca -0.03 -0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.07 1hqa h LEU 310 Cb 0.40 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.06 1hqa h LEU 310 CO 0.04 0.13 0.44 0.28 -1.08 0.00 0.00 178.44 178.25 1hqa h SER 311 N 0.22 0.25 0.30 -0.43 0.02 -1.00 -2.71 113.55 110.20 1hqa h SER 311 Ca 0.15 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1hqa h SER 311 Cb 0.32 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 1hqa h SER 311 CO -0.03 0.14 -0.04 0.11 -1.14 0.00 0.00 176.83 175.87 1hqa h LYS 312 N 0.27 0.00 -6.23 3.45 1.79 -1.49 -3.43 116.57 110.94 1hqa h LYS 312 Ca 0.31 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 58.22 1hqa h LYS 312 Cb 0.83 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.46 1hqa h LYS 312 CO -0.07 0.04 1.02 1.21 -1.08 0.00 0.00 179.45 180.57 1hqa s ASN 313 N -5.70 6.71 0.32 0.86 3.84 -1.02 -4.91 114.94 115.04 1hqa s ASN 313 Ca -0.03 1.85 0.02 0.00 0.21 0.00 0.00 52.86 54.91 1hqa s ASN 313 Cb 0.13 -2.54 0.54 0.00 -0.55 0.00 0.00 41.25 38.83 1hqa s ASN 313 CO 0.51 -0.94 1.88 -0.33 -2.79 0.00 0.00 177.10 175.42 1hqa h GLU 314 N 9.28 0.68 -0.70 0.43 4.39 -1.90 -2.80 114.58 123.96 1hqa h GLU 314 Ca -0.33 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.19 1hqa h GLU 314 Cb 1.14 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 1hqa h GLU 314 CO 0.97 0.62 0.23 0.87 -1.16 0.00 0.00 179.01 180.55 1hqa h LYS 315 N 0.66 1.09 0.00 2.33 1.79 -1.91 -3.49 116.57 117.04 1hqa h LYS 315 Ca 0.15 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1hqa h LYS 315 Cb 0.25 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 1hqa h LYS 315 CO -0.00 0.93 0.00 0.41 -1.08 0.00 0.00 179.45 179.71 1hqa n GLY 316 N -0.76 0.87 3.37 3.86 0.00 -1.06 -4.92 105.19 106.56 1hqa n GLY 316 Ca 0.05 -2.07 -0.10 0.00 0.00 0.00 0.00 46.02 43.91 1hqa n GLY 316 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1hqa s PHE 317 N -1.13 0.15 -0.08 1.61 -0.12 -1.22 -0.92 117.98 116.27 1hqa s PHE 317 Ca 0.00 -0.52 0.02 0.00 -0.05 0.00 0.00 56.93 56.38 1hqa s PHE 317 Cb 0.00 0.11 0.01 0.00 -0.63 0.00 0.00 43.02 42.51 1hqa s PHE 317 CO 0.00 -0.75 -0.14 0.12 -0.05 0.00 0.00 175.22 174.40 1hqa s PHE 318 N -3.91 1.71 -0.03 3.49 5.36 -0.28 -1.41 117.98 122.90 1hqa s PHE 318 Ca 0.12 -0.71 0.02 0.00 -0.96 0.00 0.00 56.93 55.39 1hqa s PHE 318 Cb 0.02 -1.24 0.01 0.00 -0.34 0.00 0.00 43.02 41.47 1hqa s PHE 318 CO -0.04 -0.37 -0.06 -1.17 -1.46 0.00 0.00 175.22 172.12 1hqa s LEU 319 N 0.81 1.60 -0.09 6.12 2.96 0.10 -0.67 118.68 129.51 1hqa s LEU 319 Ca -0.11 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 1hqa s LEU 319 Cb -0.15 -0.47 -0.02 0.00 0.50 0.00 0.00 46.19 46.05 1hqa s LEU 319 CO 0.02 0.01 -0.16 -1.58 -1.32 0.00 0.00 176.35 173.32 1hqa s GLN 320 N 0.50 2.99 -0.09 1.98 0.74 -0.58 -0.26 119.66 124.94 1hqa s GLN 320 Ca -0.07 -0.73 0.02 0.00 0.05 0.00 0.00 55.36 54.63 1hqa s GLN 320 Cb -0.11 -2.47 0.01 0.00 1.10 0.00 0.00 33.01 31.54 1hqa s GLN 320 CO 0.00 0.35 -0.15 0.08 -0.55 0.00 0.00 175.29 175.03 1hqa s VAL 321 N -0.04 1.40 -0.14 1.34 1.01 0.35 -0.18 120.40 124.15 1hqa s VAL 321 Ca -0.04 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1hqa s VAL 321 Cb -0.14 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.98 1hqa s VAL 321 CO 0.04 0.42 -0.20 -0.70 0.00 0.00 0.00 175.10 174.66 1hqa s GLU 322 N 0.74 3.10 -1.04 2.72 2.12 0.43 -0.67 118.70 126.10 1hqa s GLU 322 Ca -0.12 -0.82 -0.16 0.00 0.36 0.00 0.00 54.97 54.23 1hqa s GLU 322 Cb -0.16 -2.49 0.16 0.00 0.26 0.00 0.00 34.13 31.90 1hqa s GLU 322 CO 0.03 0.02 1.23 0.20 -0.54 0.00 0.00 175.26 176.20 1hqa s GLY 323 N 0.75 2.23 0.22 -1.50 0.00 0.17 -2.82 107.32 106.37 1hqa s GLY 323 Ca -0.08 -3.09 -0.00 0.00 0.00 0.00 0.00 44.72 41.55 1hqa s GLY 323 CO 0.00 1.95 1.58 0.00 0.00 0.00 0.00 173.10 176.63 1hqa h ALA 324 N 7.99 0.84 -0.00 3.20 0.00 -1.91 -2.51 119.26 126.88 1hqa h ALA 324 Ca 0.22 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1hqa h ALA 324 Cb 0.96 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1hqa h ALA 324 CO 1.14 0.66 -0.00 0.43 0.00 0.00 0.00 179.25 181.47 1hqa n SER 325 N -4.00 0.02 0.03 0.00 7.64 -1.26 -3.53 113.62 112.52 1hqa n SER 325 Ca -0.02 -0.66 -0.10 0.00 1.01 0.00 0.00 58.87 59.09 1hqa n SER 325 Cb 0.54 -0.11 -0.04 0.00 -1.01 0.00 0.00 64.21 63.59 1hqa n SER 325 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1hqa h ILE 326 N 0.03 0.61 -0.20 0.44 2.04 -1.76 -0.05 117.51 118.62 1hqa h ILE 326 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1hqa h ILE 326 Cb 0.12 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1hqa h ILE 326 CO 0.00 0.00 0.11 -0.78 0.00 0.00 0.00 178.15 177.48 1hqa h ASP 327 N -0.23 0.25 -0.68 1.72 1.82 -0.69 -0.98 116.42 117.64 1hqa h ASP 327 Ca 0.07 -0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 56.58 1hqa h ASP 327 Cb 0.32 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.24 1hqa h ASP 327 CO -0.19 0.25 0.20 0.11 -1.61 0.00 0.00 179.24 177.99 1hqa h LYS 328 N 0.23 1.08 -0.02 0.28 1.57 -1.64 -0.52 116.57 117.54 1hqa h LYS 328 Ca 0.07 -0.23 -0.14 0.00 -1.87 0.00 0.00 60.65 58.47 1hqa h LYS 328 Cb 0.05 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1hqa h LYS 328 CO -0.01 0.93 -0.64 1.96 -0.57 0.00 0.00 179.45 181.12 1hqa h GLN 329 N 1.03 0.09 -0.13 3.15 1.08 -0.85 -2.02 115.11 117.47 1hqa h GLN 329 Ca 0.22 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 1hqa h GLN 329 Cb 0.32 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1hqa h GLN 329 CO -0.00 0.70 0.03 0.22 -0.95 0.00 0.00 178.83 178.83 1hqa h ASP 330 N 0.06 0.19 -1.00 1.46 1.82 -0.83 -1.03 116.42 117.08 1hqa h ASP 330 Ca -0.01 -0.22 0.08 0.00 -0.39 0.00 0.00 57.03 56.49 1hqa h ASP 330 Cb 1.15 -0.05 -0.07 0.00 0.68 0.00 0.00 39.33 41.04 1hqa h ASP 330 CO 0.09 0.36 0.64 0.45 -1.61 0.00 0.00 179.24 179.17 1hqa h HIS 331 N 0.01 1.18 0.00 0.28 3.86 -1.01 -1.18 115.15 118.30 1hqa h HIS 331 Ca 0.04 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1hqa h HIS 331 Cb 0.24 -0.38 0.00 0.00 1.06 0.00 0.00 27.41 28.33 1hqa h HIS 331 CO 0.00 0.57 0.00 0.00 0.86 0.00 0.00 177.93 179.36 1hqa n ALA 332 N -2.36 2.36 -3.66 2.45 0.00 -0.77 -0.53 120.51 118.00 1hqa n ALA 332 Ca 0.16 -0.14 -0.22 0.00 0.00 0.00 0.00 53.44 53.24 1hqa n ALA 332 Cb 0.23 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.31 1hqa n ALA 332 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hqa n ALA 333 N -1.18 -1.77 -3.98 0.00 0.00 -0.45 -4.71 120.51 108.42 1hqa n ALA 333 Ca 0.15 0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.30 1hqa n ALA 333 Cb 0.16 -3.07 -0.14 0.00 0.00 0.00 0.00 19.45 16.40 1hqa n ALA 333 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1hqa s ASN 334 N -4.01 4.50 0.20 0.00 3.84 -0.48 -0.33 114.94 118.65 1hqa s ASN 334 Ca 0.21 -2.67 -0.12 0.00 0.21 0.00 0.00 52.86 50.49 1hqa s ASN 334 Cb -0.10 -1.64 0.24 0.00 -0.55 0.00 0.00 41.25 39.20 1hqa s ASN 334 CO 0.78 -0.29 1.68 -0.65 -2.79 0.00 0.00 177.10 175.83 1hqa h PRO 335 N 6.94 0.12 -0.72 0.43 0.11 -1.84 -1.34 132.00 135.70 1hqa h PRO 335 Ca -0.06 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 1hqa h PRO 335 Cb 0.94 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 1hqa h PRO 335 CO 0.62 0.08 0.36 0.00 -0.21 0.00 0.00 178.00 178.85 1hqa h GLY 337 N 1.01 1.14 0.81 0.00 0.00 -1.50 -0.42 103.07 104.12 1hqa h GLY 337 Ca 0.25 -0.83 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 1hqa h GLY 337 CO -0.03 0.76 -0.02 -1.61 0.00 0.00 0.00 176.54 175.63 1hqa h GLN 338 N 0.96 -0.07 -0.35 4.80 4.15 -0.89 -2.21 115.11 121.50 1hqa h GLN 338 Ca 0.17 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.55 1hqa h GLN 338 Cb 0.54 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 1hqa h GLN 338 CO 0.03 0.13 0.04 0.82 -1.93 0.00 0.00 178.83 177.92 1hqa h ILE 339 N -0.26 1.24 -0.81 2.39 2.04 -0.89 -2.77 117.51 118.45 1hqa h ILE 339 Ca -0.01 -0.88 0.05 0.00 1.00 0.00 0.00 64.86 65.02 1hqa h ILE 339 Cb 0.23 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.39 1hqa h ILE 339 CO 0.01 0.29 0.53 1.23 0.00 0.00 0.00 178.15 180.22 1hqa h GLY 340 N 0.42 1.15 2.00 5.37 0.00 -1.05 -1.39 103.07 109.56 1hqa h GLY 340 Ca 0.11 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 1hqa h GLY 340 CO 0.01 0.31 -0.44 0.83 0.00 0.00 0.00 176.54 177.25 1hqa h GLU 341 N 0.96 0.00 -0.18 4.80 4.39 -1.24 -0.49 114.58 122.83 1hqa h GLU 341 Ca 0.34 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.83 1hqa h GLU 341 Cb 0.12 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1hqa h GLU 341 CO -0.11 0.44 -0.72 1.15 -1.16 0.00 0.00 179.01 178.61 1hqa h THR 342 N 0.00 1.29 -0.69 1.13 2.02 -1.04 -1.69 112.91 113.93 1hqa h THR 342 Ca -0.00 -1.93 -0.06 0.00 0.77 0.00 0.00 66.41 65.18 1hqa h THR 342 Cb 0.84 1.91 -0.03 0.00 -1.74 0.00 0.00 68.15 69.13 1hqa h THR 342 CO 0.06 0.61 0.18 0.58 0.37 0.00 0.00 175.52 177.32 1hqa h VAL 343 N 0.54 1.26 -0.26 3.16 2.07 -1.05 -1.57 116.25 120.40 1hqa h VAL 343 Ca -0.03 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.59 1hqa h VAL 343 Cb 1.33 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1hqa h VAL 343 CO 0.15 0.36 0.06 -0.78 0.02 0.00 0.00 177.57 177.38 1hqa h ASP 344 N 1.03 0.03 -0.77 0.57 3.58 -1.02 -2.21 116.42 117.63 1hqa h ASP 344 Ca 0.22 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.67 1hqa h ASP 344 Cb 0.35 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.41 1hqa h ASP 344 CO -0.00 0.05 0.35 0.25 -2.88 0.00 0.00 179.24 177.01 1hqa h LEU 345 N 0.16 1.03 -0.79 2.28 5.85 -0.97 -2.36 115.31 120.52 1hqa h LEU 345 Ca 0.12 -0.13 0.13 0.00 0.84 0.00 0.00 57.88 58.84 1hqa h LEU 345 Cb 0.12 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 40.79 1hqa h LEU 345 CO -0.15 0.89 0.39 -0.78 -0.34 0.00 0.00 178.44 178.44 1hqa h ASP 346 N 1.12 0.46 -0.40 1.25 3.58 -0.69 0.89 116.42 122.63 1hqa h ASP 346 Ca 0.27 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.80 1hqa h ASP 346 Cb 0.15 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 1hqa h ASP 346 CO -0.03 0.22 0.25 -0.33 -2.88 0.00 0.00 179.24 176.46 1hqa h GLU 347 N 0.59 0.53 -0.72 0.28 5.08 -1.05 0.65 114.58 119.94 1hqa h GLU 347 Ca 0.42 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 1hqa h GLU 347 Cb 0.55 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1hqa h GLU 347 CO -0.34 0.39 0.41 0.00 -1.00 0.00 0.00 179.01 178.47 1hqa h ALA 348 N 1.12 0.93 -0.92 3.43 0.00 -1.02 -1.22 119.26 121.58 1hqa h ALA 348 Ca 0.14 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1hqa h ALA 348 Cb -0.01 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.43 1hqa h ALA 348 CO -0.03 0.43 0.59 0.28 0.00 0.00 0.00 179.25 180.52 1hqa h VAL 349 N 1.00 1.10 -0.29 0.00 2.07 -0.37 -0.60 116.25 119.16 1hqa h VAL 349 Ca 0.26 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.41 1hqa h VAL 349 Cb 0.02 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.67 1hqa h VAL 349 CO -0.04 0.20 0.17 1.56 0.02 0.00 0.00 177.57 179.47 1hqa h GLN 350 N 1.10 0.34 -0.49 1.57 4.20 -0.01 0.16 115.11 121.97 1hqa h GLN 350 Ca 0.39 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 59.11 1hqa h GLN 350 Cb 0.10 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 1hqa h GLN 350 CO -0.15 0.22 0.28 0.00 -0.67 0.00 0.00 178.83 178.51 1hqa h ARG 351 N 0.35 0.53 -0.80 1.46 2.47 -0.26 -1.48 114.38 116.65 1hqa h ARG 351 Ca 0.11 -0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.82 1hqa h ARG 351 Cb -0.00 -0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 28.16 1hqa h ARG 351 CO -0.05 0.35 0.52 0.00 0.56 0.00 0.00 179.97 181.35 1hqa h ALA 352 N 1.24 1.02 -0.38 0.04 0.00 -0.53 -2.06 119.26 118.59 1hqa h ALA 352 Ca 0.21 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1hqa h ALA 352 Cb 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1hqa h ALA 352 CO -0.12 0.40 -0.25 1.25 0.00 0.00 0.00 179.25 180.53 1hqa h LEU 353 N 1.06 0.79 -0.28 0.00 5.85 -0.53 -1.27 115.31 120.93 1hqa h LEU 353 Ca 0.30 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1hqa h LEU 353 Cb -0.09 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1hqa h LEU 353 CO -0.08 1.01 0.17 -0.33 -0.34 0.00 0.00 178.44 178.87 1hqa h GLU 354 N 0.67 0.34 -0.09 1.25 4.39 -0.62 -0.07 114.58 120.44 1hqa h GLU 354 Ca 0.09 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1hqa h GLU 354 Cb 0.77 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1hqa h GLU 354 CO 0.06 0.22 0.04 0.35 -1.16 0.00 0.00 179.01 178.52 1hqa h PHE 355 N 0.35 0.14 -0.51 4.33 3.57 -1.24 -2.62 116.94 120.96 1hqa h PHE 355 Ca 0.11 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1hqa h PHE 355 Cb -0.02 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1hqa h PHE 355 CO -0.07 0.25 0.27 0.00 -2.23 0.00 0.00 178.31 176.53 1hqa h ALA 356 N 0.88 1.51 -0.35 2.41 0.00 -1.01 0.68 119.26 123.37 1hqa h ALA 356 Ca 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1hqa h ALA 356 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1hqa h ALA 356 CO -0.00 0.40 0.14 -0.22 0.00 0.00 0.00 179.25 179.57 1hqa h LYS 357 N 0.71 0.53 -0.04 0.00 3.64 -0.92 -1.55 116.57 118.93 1hqa h LYS 357 Ca 0.18 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1hqa h LYS 357 Cb 0.04 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1hqa h LYS 357 CO -0.03 0.51 -0.12 0.87 -2.27 0.00 0.00 179.45 178.41 1hqa h LYS 358 N 0.42 0.16 -0.87 1.90 1.57 -1.06 -3.33 116.57 115.36 1hqa h LYS 358 Ca 0.12 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1hqa h LYS 358 Cb 0.18 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1hqa h LYS 358 CO -0.01 0.73 0.45 1.49 -0.57 0.00 0.00 179.45 181.54 1hqa h GLU 359 N -0.39 1.22 0.00 3.15 4.22 -0.89 -3.47 114.58 118.42 1hqa h GLU 359 Ca -0.00 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.28 1hqa h GLU 359 Cb 0.73 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1hqa h GLU 359 CO 0.03 0.91 0.00 0.41 -2.18 0.00 0.00 179.01 178.18 1hqa n GLY 360 N -1.08 2.60 1.06 1.92 0.00 -0.59 -4.83 105.19 104.27 1hqa n GLY 360 Ca 0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.15 1hqa n GLY 360 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hqa n ASN 361 N 0.00 1.44 -4.27 1.61 3.02 -1.26 -4.83 115.26 110.96 1hqa n ASN 361 Ca 0.00 -3.02 -0.34 0.00 -0.03 0.00 0.00 54.58 51.19 1hqa n ASN 361 Cb 0.00 -0.42 -0.15 0.00 -0.61 0.00 0.00 39.78 38.60 1hqa n ASN 361 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1hqa s THR 362 N -1.81 3.00 -0.18 3.41 2.01 -1.26 0.22 115.64 121.03 1hqa s THR 362 Ca 0.36 -0.63 -0.23 0.00 0.31 0.00 0.00 61.69 61.50 1hqa s THR 362 Cb 0.38 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.54 1hqa s THR 362 CO -0.11 0.47 0.74 -0.22 -0.69 0.00 0.00 174.62 174.81 1hqa s LEU 363 N 1.24 4.16 -0.09 4.42 2.96 -0.63 -4.37 118.68 126.37 1hqa s LEU 363 Ca 0.03 1.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.99 1hqa s LEU 363 Cb -0.14 -3.08 -0.02 0.00 0.50 0.00 0.00 46.19 43.45 1hqa s LEU 363 CO -0.04 -0.35 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.78 1hqa s VAL 364 N 2.06 2.68 -0.04 1.68 1.01 0.57 -1.33 120.40 127.02 1hqa s VAL 364 Ca 0.34 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1hqa s VAL 364 Cb -0.16 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.17 1hqa s VAL 364 CO 0.11 0.56 -0.12 -0.63 0.00 0.00 0.00 175.10 175.02 1hqa s ILE 365 N -0.08 1.09 -0.12 2.22 1.01 -0.67 0.08 121.20 124.72 1hqa s ILE 365 Ca -0.04 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.12 1hqa s ILE 365 Cb -0.14 -0.97 0.02 0.00 0.01 0.00 0.00 42.46 41.38 1hqa s ILE 365 CO 0.04 0.33 -0.11 -0.69 0.00 0.00 0.00 174.94 174.51 1hqa s VAL 366 N 0.32 1.25 0.00 2.92 1.01 -0.20 -0.04 120.40 125.67 1hqa s VAL 366 Ca -0.07 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1hqa s VAL 366 Cb -0.12 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.05 1hqa s VAL 366 CO 0.02 0.40 0.00 1.07 0.00 0.00 0.00 175.10 176.59 1hqa n THR 367 N 4.67 0.00 -4.38 3.92 5.66 -0.58 -2.06 114.28 121.50 1hqa n THR 367 Ca -0.16 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.65 1hqa n THR 367 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 1hqa n THR 367 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1hqa s ALA 368 N -1.11 2.07 0.03 1.79 0.00 -1.26 -0.66 121.76 122.62 1hqa s ALA 368 Ca 0.00 -1.85 -0.04 0.00 0.00 0.00 0.00 51.96 50.06 1hqa s ALA 368 Cb 0.00 0.40 -0.29 0.00 0.00 0.00 0.00 23.12 23.24 1hqa s ALA 368 CO 0.00 -0.19 0.98 0.38 0.00 0.00 0.00 175.76 176.93 1hqa h ASP 369 N 2.36 0.43 -5.13 0.00 2.03 -1.93 -3.48 116.42 110.71 1hqa h ASP 369 Ca -0.39 -0.53 0.08 0.00 -0.73 0.00 0.00 57.03 55.46 1hqa h ASP 369 Cb 1.23 -0.14 -0.04 0.00 -0.83 0.00 0.00 39.33 39.55 1hqa h ASP 369 CO 0.66 1.43 0.34 -1.38 -1.03 0.00 0.00 179.24 179.26 1hqa s HIS 370 N -2.63 -0.05 0.79 4.15 -3.43 -1.26 -4.86 115.29 108.00 1hqa s HIS 370 Ca -0.07 -0.44 -0.05 0.00 -0.80 0.00 0.00 55.06 53.70 1hqa s HIS 370 Cb 0.07 0.73 0.15 0.00 -1.43 0.00 0.00 32.58 32.10 1hqa s HIS 370 CO 0.87 -1.21 1.09 0.00 -2.00 0.00 0.00 174.74 173.49 1hqa s ALA 371 N -3.06 3.28 0.00 -1.38 0.00 -1.09 -3.64 121.76 115.86 1hqa s ALA 371 Ca 0.14 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.51 1hqa s ALA 371 Cb -0.04 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.85 1hqa s ALA 371 CO 0.07 -1.76 0.00 1.58 0.00 0.00 0.00 175.76 175.65 1hqa n HIS 372 N -3.11 0.00 0.10 0.00 -0.00 -1.26 -1.70 115.22 109.25 1hqa n HIS 372 Ca 0.15 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 58.12 1hqa n HIS 372 Cb 0.60 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 30.32 1hqa n HIS 372 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1hqa h ALA 373 N 1.00 0.05 -2.58 1.57 0.00 -1.88 -3.38 119.26 114.04 1hqa h ALA 373 Ca 0.00 -0.99 -0.55 0.00 0.00 0.00 0.00 54.91 53.37 1hqa h ALA 373 Cb 0.00 0.24 0.08 0.00 0.00 0.00 0.00 17.79 18.11 1hqa h ALA 373 CO 0.00 0.92 0.81 -1.13 0.00 0.00 0.00 179.25 179.84 1hqa n SER 374 N -3.60 3.47 -4.21 0.00 3.41 -1.26 -4.66 113.62 106.77 1hqa n SER 374 Ca -0.17 1.13 -0.20 0.00 -0.26 0.00 0.00 58.87 59.37 1hqa n SER 374 Cb 1.07 -1.53 -0.12 0.00 -0.26 0.00 0.00 64.21 63.37 1hqa n SER 374 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1hqa s GLN 375 N -0.19 0.92 -0.27 4.33 -0.21 -0.65 -4.70 119.66 118.88 1hqa s GLN 375 Ca 0.68 -1.04 -0.11 0.00 0.02 0.00 0.00 55.36 54.91 1hqa s GLN 375 Cb -0.56 -0.99 -0.05 0.00 1.00 0.00 0.00 33.01 32.41 1hqa s GLN 375 CO 0.46 0.22 0.18 0.42 -2.12 0.00 0.00 175.29 174.45 1hqa s ILE 376 N -1.31 5.26 0.29 1.08 1.01 -1.26 -0.58 121.20 125.68 1hqa s ILE 376 Ca 0.01 0.15 0.06 0.00 0.00 0.00 0.00 60.65 60.87 1hqa s ILE 376 Cb -0.10 -3.49 -0.06 0.00 0.01 0.00 0.00 42.46 38.82 1hqa s ILE 376 CO 0.03 0.27 -0.02 0.68 0.00 0.00 0.00 174.94 175.90 1hqa s VAL 377 N 1.62 1.49 0.45 2.92 -7.23 -0.89 -4.99 120.40 113.78 1hqa s VAL 377 Ca 0.07 -2.08 -0.23 0.00 -1.81 0.00 0.00 61.98 57.93 1hqa s VAL 377 Cb -0.15 -2.54 -0.09 0.00 0.56 0.00 0.00 36.38 34.15 1hqa s VAL 377 CO 0.09 -0.22 1.01 0.00 -0.31 0.00 0.00 175.10 175.67 1hqa n ALA 378 N -0.61 0.24 -0.27 1.32 0.00 -1.26 -4.04 120.51 115.89 1hqa n ALA 378 Ca -0.05 0.19 0.11 0.00 0.00 0.00 0.00 53.44 53.69 1hqa n ALA 378 Cb 0.64 -2.09 0.36 0.00 0.00 0.00 0.00 19.45 18.36 1hqa n ALA 378 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1hqa h PRO 379 N 1.38 0.72 -0.80 0.00 0.11 -1.93 -1.38 132.00 130.09 1hqa h PRO 379 Ca -0.45 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1hqa h PRO 379 Cb 1.34 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1hqa h PRO 379 CO 0.56 0.47 0.06 -0.40 -0.21 0.00 0.00 178.00 178.49 1hqa n ASP 380 N -4.56 3.70 -4.75 -2.05 5.75 -1.26 -4.83 116.55 108.54 1hqa n ASP 380 Ca 0.17 -2.61 -0.41 0.00 -0.01 0.00 0.00 54.79 51.93 1hqa n ASP 380 Cb 0.43 -0.62 -0.02 0.00 -1.03 0.00 0.00 41.12 39.88 1hqa n ASP 380 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1hqa s THR 381 N -2.00 2.75 -0.41 2.12 2.01 -0.52 -4.98 115.64 114.60 1hqa s THR 381 Ca 0.32 0.66 -0.03 0.00 0.31 0.00 0.00 61.69 62.95 1hqa s THR 381 Cb 0.25 -3.42 0.11 0.00 0.01 0.00 0.00 72.50 69.45 1hqa s THR 381 CO 0.09 0.12 0.21 -0.75 -0.69 0.00 0.00 174.62 173.59 1hqa s LYS 382 N -0.77 2.01 0.18 4.92 2.20 -1.26 -4.83 119.74 122.20 1hqa s LYS 382 Ca 0.56 -1.84 0.08 0.00 -0.36 0.00 0.00 55.97 54.42 1hqa s LYS 382 Cb -0.41 -3.58 -0.04 0.00 -1.51 0.00 0.00 37.83 32.29 1hqa s LYS 382 CO 0.46 -1.08 -0.05 0.00 -0.36 0.00 0.00 175.35 174.32 1hqa s ALA 383 N 1.12 3.08 -0.23 3.13 0.00 -1.26 -5.02 121.76 122.57 1hqa s ALA 383 Ca 0.08 -1.44 0.29 0.00 0.00 0.00 0.00 51.96 50.89 1hqa s ALA 383 Cb -0.23 -0.85 1.07 0.00 0.00 0.00 0.00 23.12 23.11 1hqa s ALA 383 CO -0.04 0.46 1.83 -1.00 0.00 0.00 0.00 175.76 177.01 1hqa h PRO 384 N 2.73 0.00 0.00 0.00 0.13 -1.97 -3.41 132.00 129.49 1hqa h PRO 384 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1hqa h PRO 384 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1hqa h PRO 384 CO 0.56 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.74 1hqa n GLY 385 N 0.28 1.98 3.77 1.56 0.00 -1.26 -5.00 105.19 106.52 1hqa n GLY 385 Ca 0.02 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 1hqa n GLY 385 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hqa s LEU 386 N 0.00 4.26 0.21 0.99 1.43 -0.71 -4.11 118.68 120.75 1hqa s LEU 386 Ca 0.00 0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 1hqa s LEU 386 Cb 0.00 -2.09 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 1hqa s LEU 386 CO 0.00 0.24 0.04 0.42 0.23 0.00 0.00 176.35 177.27 1hqa s THR 387 N 0.02 0.69 -0.26 5.49 -4.23 0.27 -0.87 115.64 116.75 1hqa s THR 387 Ca 0.10 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.36 1hqa s THR 387 Cb -0.11 -2.34 0.08 0.00 1.34 0.00 0.00 72.50 71.46 1hqa s THR 387 CO -0.00 -0.28 0.77 -1.58 -0.54 0.00 0.00 174.62 172.98 1hqa s GLN 388 N -3.95 0.80 -0.18 3.99 0.74 -0.65 -1.27 119.66 119.14 1hqa s GLN 388 Ca 0.30 0.89 -0.10 0.00 0.05 0.00 0.00 55.36 56.50 1hqa s GLN 388 Cb 0.07 0.39 -0.05 0.00 1.10 0.00 0.00 33.01 34.52 1hqa s GLN 388 CO 0.08 -0.11 0.16 0.00 -0.55 0.00 0.00 175.29 174.87 1hqa s ALA 389 N 0.26 3.71 0.15 1.58 0.00 -1.26 -1.01 121.76 125.19 1hqa s ALA 389 Ca -0.00 -0.65 0.11 0.00 0.00 0.00 0.00 51.96 51.42 1hqa s ALA 389 Cb -0.05 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 1hqa s ALA 389 CO 0.00 0.24 -0.25 -0.51 0.00 0.00 0.00 175.76 175.25 1hqa s LEU 390 N 0.09 2.36 -0.43 0.00 1.43 0.14 -0.27 118.68 122.00 1hqa s LEU 390 Ca 0.11 -0.78 -0.21 0.00 -1.03 0.00 0.00 54.13 52.22 1hqa s LEU 390 Cb -0.12 -1.14 0.02 0.00 0.03 0.00 0.00 46.19 44.99 1hqa s LEU 390 CO 0.00 0.13 0.64 0.20 0.23 0.00 0.00 176.35 177.56 1hqa s ASN 391 N -2.26 6.34 0.67 2.29 0.02 0.27 -1.25 114.94 121.02 1hqa s ASN 391 Ca 0.15 -0.27 -0.04 0.00 -1.02 0.00 0.00 52.86 51.68 1hqa s ASN 391 Cb -0.09 -2.32 0.07 0.00 0.02 0.00 0.00 41.25 38.92 1hqa s ASN 391 CO 0.07 -0.75 0.96 0.42 0.02 0.00 0.00 177.10 177.82 1hqa s THR 392 N 2.81 2.36 0.66 1.60 -4.23 -0.63 -4.85 115.64 113.36 1hqa s THR 392 Ca 0.23 -0.40 0.43 0.00 -1.18 0.00 0.00 61.69 60.77 1hqa s THR 392 Cb -0.14 -2.95 0.44 0.00 1.34 0.00 0.00 72.50 71.18 1hqa s THR 392 CO 0.18 0.00 2.36 0.50 -0.54 0.00 0.00 174.62 177.13 1hqa h LYS 393 N -0.45 0.00 0.00 3.99 1.63 -1.17 0.04 116.57 120.61 1hqa h LYS 393 Ca -0.43 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 1hqa h LYS 393 Cb 1.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 1hqa h LYS 393 CO 0.55 0.00 0.00 -0.25 -3.45 0.00 0.00 179.45 176.30 1hqa n ASP 394 N -3.15 0.00 0.00 4.20 8.00 -1.26 -4.88 116.55 119.46 1hqa n ASP 394 Ca -0.03 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1hqa n ASP 394 Cb 0.08 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 1hqa n ASP 394 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1hqa n GLY 395 N 1.31 0.42 3.55 0.44 0.00 0.00 -5.04 105.19 105.86 1hqa n GLY 395 Ca 0.12 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 1hqa n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqa s ALA 396 N -2.00 2.83 -0.14 4.61 0.00 -1.26 -4.93 121.76 120.87 1hqa s ALA 396 Ca 0.00 -2.20 -0.06 0.00 0.00 0.00 0.00 51.96 49.70 1hqa s ALA 396 Cb 0.00 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 1hqa s ALA 396 CO 0.00 -0.19 0.10 0.54 0.00 0.00 0.00 175.76 176.21 1hqa s VAL 397 N -2.94 5.12 -0.03 0.00 0.11 -1.26 -1.60 120.40 119.79 1hqa s VAL 397 Ca 0.35 0.07 0.05 0.00 -2.93 0.00 0.00 61.98 59.53 1hqa s VAL 397 Cb 0.09 -3.25 -0.02 0.00 -1.53 0.00 0.00 36.38 31.67 1hqa s VAL 397 CO 0.17 0.56 -0.18 -0.32 -3.33 0.00 0.00 175.10 172.00 1hqa s MET 398 N -0.54 2.35 -0.10 1.54 0.00 -0.38 -4.90 119.30 117.26 1hqa s MET 398 Ca 0.11 -0.79 -0.00 0.00 0.00 0.00 0.00 55.69 55.01 1hqa s MET 398 Cb -0.12 -2.26 -0.02 0.00 0.00 0.00 0.00 34.83 32.43 1hqa s MET 398 CO 0.02 0.60 -0.08 0.08 0.00 0.00 0.00 175.02 175.64 1hqa s VAL 399 N -0.71 3.52 -0.02 10.11 1.01 -1.26 0.26 120.40 133.33 1hqa s VAL 399 Ca 0.11 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1hqa s VAL 399 Cb -0.10 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1hqa s VAL 399 CO 0.00 0.55 -0.15 -0.04 0.00 0.00 0.00 175.10 175.47 1hqa s MET 400 N -0.20 2.37 -0.01 2.72 -1.94 -0.18 -2.08 119.30 119.97 1hqa s MET 400 Ca 0.02 -0.79 0.05 0.00 -1.71 0.00 0.00 55.69 53.26 1hqa s MET 400 Cb -0.13 -2.32 -0.01 0.00 2.01 0.00 0.00 34.83 34.37 1hqa s MET 400 CO 0.03 0.60 -0.17 0.45 -0.01 0.00 0.00 175.02 175.91 1hqa s SER 401 N -1.01 2.03 -0.33 3.03 0.15 0.25 -1.63 113.70 116.18 1hqa s SER 401 Ca 0.13 -0.31 0.01 0.00 0.70 0.00 0.00 55.95 56.47 1hqa s SER 401 Cb -0.11 -0.24 0.10 0.00 -1.71 0.00 0.00 66.02 64.07 1hqa s SER 401 CO 0.03 0.21 0.10 -0.31 1.20 0.00 0.00 173.24 174.47 1hqa s TYR 402 N -0.38 2.27 -0.22 3.44 1.51 -0.04 -1.64 117.35 122.28 1hqa s TYR 402 Ca 0.06 -2.14 0.12 0.00 -1.01 0.00 0.00 57.07 54.10 1hqa s TYR 402 Cb -0.07 -2.05 0.44 0.00 -0.11 0.00 0.00 41.96 40.17 1hqa s TYR 402 CO -0.01 -0.88 1.19 0.41 -1.11 0.00 0.00 175.55 175.15 1hqa n GLY 403 N 4.54 4.80 0.03 0.71 0.00 -1.26 -1.74 105.19 112.27 1hqa n GLY 403 Ca 0.01 -1.70 0.03 0.00 0.00 0.00 0.00 46.02 44.35 1hqa n GLY 403 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1hqa n ASN 404 N -0.74 2.01 -3.73 1.61 0.23 -1.26 -4.85 115.26 108.53 1hqa n ASN 404 Ca 0.25 -2.27 -0.12 0.00 -0.53 0.00 0.00 54.58 51.90 1hqa n ASN 404 Cb 0.85 -0.12 -0.11 0.00 -2.08 0.00 0.00 39.78 38.32 1hqa n ASN 404 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1hqa s SER 405 N -1.49 -0.42 0.00 0.53 0.15 -1.26 -4.57 113.70 106.64 1hqa s SER 405 Ca 0.09 0.78 0.25 0.00 0.70 0.00 0.00 55.95 57.77 1hqa s SER 405 Cb 0.08 0.75 0.48 0.00 -1.71 0.00 0.00 66.02 65.62 1hqa s SER 405 CO 0.01 -0.15 1.39 -0.62 1.20 0.00 0.00 173.24 175.07 1hqa n GLU 406 N 3.30 0.65 -1.39 5.44 1.02 -1.26 -4.88 120.64 123.52 1hqa n GLU 406 Ca -0.16 -0.43 -0.15 0.00 -0.02 0.00 0.00 57.16 56.39 1hqa n GLU 406 Cb 0.57 -1.49 0.09 0.00 -0.02 0.00 0.00 31.44 30.59 1hqa n GLU 406 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1hqa n GLU 407 N -0.79 -0.30 0.06 3.49 4.71 -1.26 -4.97 120.64 121.58 1hqa n GLU 407 Ca 0.10 -1.35 0.12 0.00 -0.01 0.00 0.00 57.16 56.01 1hqa n GLU 407 Cb 0.37 -0.59 0.46 0.00 -1.01 0.00 0.00 31.44 30.66 1hqa n GLU 407 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 1hqa n ASP 408 N -3.24 0.40 -4.10 1.62 5.75 -1.26 -4.69 116.55 111.04 1hqa n ASP 408 Ca 0.09 0.56 -0.30 0.00 -0.01 0.00 0.00 54.79 55.14 1hqa n ASP 408 Cb 0.33 -0.66 -0.17 0.00 -1.03 0.00 0.00 41.12 39.60 1hqa n ASP 408 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1hqa s SER 409 N -3.75 2.69 0.29 -1.12 0.15 -1.26 -4.74 113.70 105.96 1hqa s SER 409 Ca 0.09 -0.49 -0.29 0.00 0.70 0.00 0.00 55.95 55.96 1hqa s SER 409 Cb 0.13 -1.22 -0.10 0.00 -1.71 0.00 0.00 66.02 63.12 1hqa s SER 409 CO 0.46 0.04 1.18 -1.10 1.20 0.00 0.00 173.24 175.02 1hqa s GLN 410 N 0.94 4.53 0.36 5.44 -1.52 0.31 -4.78 119.66 124.94 1hqa s GLN 410 Ca -0.06 1.96 -0.25 0.00 -1.95 0.00 0.00 55.36 55.05 1hqa s GLN 410 Cb -0.15 -3.15 -0.09 0.00 -0.22 0.00 0.00 33.01 29.40 1hqa s GLN 410 CO -0.02 0.05 1.04 -1.21 -0.25 0.00 0.00 175.29 174.90 1hqa s GLU 411 N -1.47 4.32 0.92 2.91 0.41 -1.26 -4.48 118.70 120.05 1hqa s GLU 411 Ca 0.47 1.53 -0.13 0.00 -0.41 0.00 0.00 54.97 56.42 1hqa s GLU 411 Cb -0.35 -2.70 0.14 0.00 -1.78 0.00 0.00 34.13 29.45 1hqa s GLU 411 CO 0.45 -0.00 1.17 1.14 -0.49 0.00 0.00 175.26 177.52 1hqa s GLN 412 N -2.23 1.08 0.33 1.61 0.00 -1.26 -3.35 119.66 115.84 1hqa s GLN 412 Ca 0.54 0.13 0.03 0.00 -0.00 0.00 0.00 55.36 56.07 1hqa s GLN 412 Cb -0.23 -1.85 -0.05 0.00 0.00 0.00 0.00 33.01 30.88 1hqa s GLN 412 CO 0.29 -2.21 0.08 0.95 0.00 0.00 0.00 175.29 174.40 1hqa s THR 413 N -3.40 0.97 -1.20 3.63 -4.23 -0.69 -4.84 115.64 105.87 1hqa s THR 413 Ca 0.65 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.31 1hqa s THR 413 Cb -0.12 -2.68 0.45 0.00 1.34 0.00 0.00 72.50 71.49 1hqa s THR 413 CO 0.53 0.00 1.37 0.61 -0.54 0.00 0.00 174.62 176.59 1hqa n GLY 414 N -0.70 2.76 3.77 3.99 0.00 -1.26 -2.68 105.19 111.07 1hqa n GLY 414 Ca -0.03 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 1hqa n GLY 414 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1hqa s SER 415 N -1.04 6.61 0.84 1.61 0.15 -1.26 -4.83 113.70 115.76 1hqa s SER 415 Ca 0.34 2.81 -0.13 0.00 0.70 0.00 0.00 55.95 59.67 1hqa s SER 415 Cb 0.19 -2.66 0.07 0.00 -1.71 0.00 0.00 66.02 61.92 1hqa s SER 415 CO 0.21 -0.66 1.02 0.00 1.20 0.00 0.00 173.24 175.01 1hqa n GLN 416 N 0.65 0.03 -4.01 5.44 10.64 -1.26 -4.33 117.38 124.54 1hqa n GLN 416 Ca 0.00 0.08 -0.10 0.00 -1.83 0.00 0.00 57.00 55.16 1hqa n GLN 416 Cb 0.41 -2.29 -0.07 0.00 -0.86 0.00 0.00 30.24 27.43 1hqa n GLN 416 CO 0.00 0.00 0.00 -0.48 -1.83 0.00 0.00 177.06 174.75 1hqa s LEU 417 N -4.62 0.77 0.33 2.61 0.05 -1.06 -4.90 118.68 111.85 1hqa s LEU 417 Ca 0.69 -0.97 -0.29 0.00 0.05 0.00 0.00 54.13 53.61 1hqa s LEU 417 Cb -0.28 1.25 -0.12 0.00 -2.05 0.00 0.00 46.19 44.99 1hqa s LEU 417 CO 0.55 -0.97 1.40 -1.14 -0.55 0.00 0.00 176.35 175.64 1hqa n ARG 418 N -0.28 2.32 -4.24 1.48 0.63 -1.26 -1.07 116.66 114.24 1hqa n ARG 418 Ca -0.04 0.82 -0.20 0.00 -0.92 0.00 0.00 57.85 57.51 1hqa n ARG 418 Cb 0.63 -2.47 -0.16 0.00 0.45 0.00 0.00 32.46 30.91 1hqa n ARG 418 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 1hqa s ILE 419 N -0.77 0.60 0.05 5.15 2.07 -0.77 -4.32 121.20 123.20 1hqa s ILE 419 Ca 0.58 -0.20 0.04 0.00 -1.41 0.00 0.00 60.65 59.66 1hqa s ILE 419 Cb -0.55 -0.58 -0.03 0.00 0.13 0.00 0.00 42.46 41.44 1hqa s ILE 419 CO 0.59 0.22 -0.11 0.00 -1.91 0.00 0.00 174.94 173.72 1hqa s ALA 420 N 0.59 0.89 0.20 1.50 0.00 -0.88 -0.68 121.76 123.38 1hqa s ALA 420 Ca -0.08 -0.85 -0.08 0.00 0.00 0.00 0.00 51.96 50.95 1hqa s ALA 420 Cb -0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1hqa s ALA 420 CO 0.00 0.09 0.31 0.00 0.00 0.00 0.00 175.76 176.17 1hqa s ALA 421 N -1.22 0.19 -0.16 0.00 0.00 0.13 -1.03 121.76 119.68 1hqa s ALA 421 Ca -0.05 -1.07 -0.12 0.00 0.00 0.00 0.00 51.96 50.72 1hqa s ALA 421 Cb -0.09 1.05 0.05 0.00 0.00 0.00 0.00 23.12 24.12 1hqa s ALA 421 CO 0.01 -0.70 0.40 -0.47 0.00 0.00 0.00 175.76 175.01 1hqa s TYR 422 N -4.03 -0.49 0.00 0.00 5.04 0.11 -2.90 117.35 115.08 1hqa s TYR 422 Ca 0.24 1.14 0.00 0.00 -2.44 0.00 0.00 57.07 56.01 1hqa s TYR 422 Cb 0.03 0.19 0.00 0.00 0.35 0.00 0.00 41.96 42.52 1hqa s TYR 422 CO 0.06 -0.25 0.00 0.41 -1.34 0.00 0.00 175.55 174.42 1hqa n GLY 423 N 3.32 -0.45 3.71 8.97 0.00 -1.26 -0.32 105.19 119.16 1hqa n GLY 423 Ca -0.17 -2.24 -0.43 0.00 0.00 0.00 0.00 46.02 43.19 1hqa n GLY 423 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1hqa n PRO 424 N -0.10 2.47 -0.93 1.61 -0.02 -1.26 -2.56 135.00 134.21 1hqa n PRO 424 Ca 0.00 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1hqa n PRO 424 Cb 0.00 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 30.84 1hqa n PRO 424 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1hqa n HIS 425 N 2.44 0.00 0.26 6.00 8.25 0.48 -4.64 115.22 128.00 1hqa n HIS 425 Ca 0.11 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.68 1hqa n HIS 425 Cb 0.34 -0.52 0.70 0.00 1.12 0.00 0.00 29.99 31.63 1hqa n HIS 425 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1hqa h ALA 426 N 0.00 1.54 -0.34 -1.41 0.00 -1.75 -2.23 119.26 115.07 1hqa h ALA 426 Ca 0.00 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1hqa h ALA 426 Cb 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1hqa h ALA 426 CO 0.00 0.12 0.41 0.00 0.00 0.00 0.00 179.25 179.78 1hqa h ALA 427 N 1.90 2.00 0.00 0.00 0.00 -1.90 -1.32 119.26 119.94 1hqa h ALA 427 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1hqa h ALA 427 Cb 0.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1hqa h ALA 427 CO 0.01 -0.59 0.00 0.09 0.00 0.00 0.00 179.25 178.76 1hqa n ASN 428 N -3.62 0.00 -0.68 0.00 3.02 -0.84 -2.01 115.26 111.13 1hqa n ASN 428 Ca 0.06 -0.32 0.09 0.00 -0.03 0.00 0.00 54.58 54.37 1hqa n ASN 428 Cb 0.57 -0.09 0.06 0.00 -0.61 0.00 0.00 39.78 39.71 1hqa n ASN 428 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1hqa n VAL 429 N -1.09 0.00 -2.84 2.41 0.24 -0.50 -4.97 118.33 111.58 1hqa n VAL 429 Ca 0.11 -0.47 -0.36 0.00 -2.04 0.00 0.00 64.34 61.57 1hqa n VAL 429 Cb 0.08 1.36 -0.06 0.00 -1.47 0.00 0.00 33.84 33.74 1hqa n VAL 429 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1hqa s VAL 430 N -1.61 4.29 0.00 3.34 1.01 -0.85 -2.98 120.40 123.59 1hqa s VAL 430 Ca 0.20 1.69 0.00 0.00 0.00 0.00 0.00 61.98 63.88 1hqa s VAL 430 Cb 0.15 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1hqa s VAL 430 CO 0.26 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1hqa n GLY 431 N 0.40 -1.42 3.69 4.51 0.00 -1.26 -4.75 105.19 106.37 1hqa n GLY 431 Ca 0.02 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.33 1hqa n GLY 431 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1hqa s LEU 432 N 0.00 4.22 0.39 0.99 2.96 -1.26 -1.77 118.68 124.21 1hqa s LEU 432 Ca 0.00 0.82 0.05 0.00 -0.22 0.00 0.00 54.13 54.78 1hqa s LEU 432 Cb 0.00 -2.77 -0.02 0.00 0.50 0.00 0.00 46.19 43.89 1hqa s LEU 432 CO 0.00 -0.11 0.19 0.42 -1.32 0.00 0.00 176.35 175.54 1hqa s THR 433 N 1.14 0.33 0.17 3.68 -4.23 -0.81 -5.00 115.64 110.92 1hqa s THR 433 Ca 0.27 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.87 1hqa s THR 433 Cb -0.16 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.27 1hqa s THR 433 CO 0.11 0.00 -0.13 -0.62 -0.54 0.00 0.00 174.62 173.44 1hqa s ASP 434 N -3.53 4.09 0.41 3.99 2.15 -1.26 -1.59 116.67 120.94 1hqa s ASP 434 Ca 0.30 -0.61 0.14 0.00 0.43 0.00 0.00 52.55 52.80 1hqa s ASP 434 Cb 0.02 -0.63 1.00 0.00 -0.30 0.00 0.00 42.92 43.00 1hqa s ASP 434 CO 0.20 0.12 1.93 -0.61 -0.17 0.00 0.00 175.17 176.63 1hqa h GLN 435 N 3.09 0.46 0.00 4.34 4.15 -1.40 -0.62 115.11 125.13 1hqa h GLN 435 Ca -0.47 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 58.84 1hqa h GLN 435 Cb 1.20 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 1hqa h GLN 435 CO 0.52 0.30 -0.37 1.79 -1.93 0.00 0.00 178.83 179.14 1hqa h THR 436 N 0.47 1.01 -0.20 2.39 1.35 -1.85 -2.37 112.91 113.71 1hqa h THR 436 Ca 0.36 -1.41 0.01 0.00 -0.55 0.00 0.00 66.41 64.82 1hqa h THR 436 Cb 0.74 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 68.97 1hqa h THR 436 CO -0.12 0.37 0.14 0.44 -0.25 0.00 0.00 175.52 176.09 1hqa h ASP 437 N 0.00 0.21 -1.00 5.36 3.32 -1.42 -2.22 116.42 120.67 1hqa h ASP 437 Ca -0.00 -0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.11 1hqa h ASP 437 Cb 0.79 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.22 1hqa h ASP 437 CO 0.05 0.15 0.64 0.25 -1.72 0.00 0.00 179.24 178.61 1hqa h LEU 438 N 0.25 1.03 0.24 1.55 5.85 -1.43 0.17 115.31 122.98 1hqa h LEU 438 Ca 0.08 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1hqa h LEU 438 Cb 0.01 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1hqa h LEU 438 CO -0.02 0.66 -0.18 0.15 -0.34 0.00 0.00 178.44 178.72 1hqa h PHE 439 N 1.17 -0.46 -0.35 1.25 3.57 -1.47 -0.06 116.94 120.58 1hqa h PHE 439 Ca 0.43 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.92 1hqa h PHE 439 Cb 0.16 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1hqa h PHE 439 CO -0.00 -0.27 0.17 1.88 -2.23 0.00 0.00 178.31 177.85 1hqa h TYR 440 N -0.42 0.48 -0.13 0.41 -1.99 -1.34 -0.95 116.97 113.02 1hqa h TYR 440 Ca -0.02 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.69 1hqa h TYR 440 Cb 0.37 -0.15 -0.00 0.00 2.00 0.00 0.00 36.73 38.94 1hqa h TYR 440 CO -0.11 0.36 -0.01 1.15 -0.00 0.00 0.00 178.16 179.55 1hqa h THR 441 N 0.49 1.27 -0.37 -2.88 2.02 -0.26 -1.02 112.91 112.15 1hqa h THR 441 Ca 0.13 -0.88 -0.06 0.00 0.77 0.00 0.00 66.41 66.37 1hqa h THR 441 Cb 0.06 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1hqa h THR 441 CO -0.02 0.25 0.02 0.24 0.37 0.00 0.00 175.52 176.38 1hqa h MET 442 N -0.06 0.64 -0.43 6.66 2.86 -0.73 0.58 114.93 124.46 1hqa h MET 442 Ca 0.03 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1hqa h MET 442 Cb 0.39 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1hqa h MET 442 CO 0.01 0.74 0.27 -0.22 1.06 0.00 0.00 176.91 178.77 1hqa h LYS 443 N 0.47 0.54 -0.23 1.72 3.64 -1.19 -1.43 116.57 120.09 1hqa h LYS 443 Ca 0.11 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 1hqa h LYS 443 Cb 0.44 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1hqa h LYS 443 CO 0.02 0.36 -0.28 0.00 -2.27 0.00 0.00 179.45 177.27 1hqa h ALA 444 N 1.17 0.34 -0.89 5.00 0.00 -1.09 -0.76 119.26 123.04 1hqa h ALA 444 Ca 0.16 -0.40 0.09 0.00 0.00 0.00 0.00 54.91 54.76 1hqa h ALA 444 Cb -0.04 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 1hqa h ALA 444 CO -0.05 0.35 0.54 0.00 0.00 0.00 0.00 179.25 180.09 1hqa h ALA 445 N 0.65 1.27 -0.00 0.00 0.00 -0.65 0.02 119.26 120.55 1hqa h ALA 445 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1hqa h ALA 445 Cb 0.85 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1hqa h ALA 445 CO 0.07 0.20 -0.09 1.28 0.00 0.00 0.00 179.25 180.71 1hqa n LEU 446 N -4.66 0.14 -0.45 0.00 4.32 -0.56 -1.42 117.00 114.36 1hqa n LEU 446 Ca 0.15 0.31 -0.06 0.00 -0.02 0.00 0.00 56.01 56.39 1hqa n LEU 446 Cb 0.26 -0.37 -0.03 0.00 -1.62 0.00 0.00 43.42 41.67 1hqa n LEU 446 CO 0.28 0.03 -0.06 0.61 -1.22 0.00 0.00 177.39 177.04 1hqa n GLY 447 N 1.42 0.78 3.66 -0.72 0.00 -0.01 -4.93 105.19 105.40 1hqa n GLY 447 Ca 0.09 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1hqa n GLY 447 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hqa s LEU 448 N -1.34 4.39 0.00 0.99 1.02 -0.40 -5.01 118.68 118.33 1hqa s LEU 448 Ca 0.00 2.51 0.15 0.00 0.02 0.00 0.00 54.13 56.80 1hqa s LEU 448 Cb 0.00 -3.53 0.12 0.00 0.02 0.00 0.00 46.19 42.79 1hqa s LEU 448 CO 0.00 -1.00 0.97 1.17 0.02 0.00 0.00 176.35 177.52