#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qha n ASP 17 N 0.00 1.06 0.22 -1.12 5.68 -1.26 -4.91 116.55 116.21 1qha n ASP 17 Ca 0.00 -1.94 0.10 0.00 -0.50 0.00 0.00 54.79 52.45 1qha n ASP 17 Cb 0.00 -0.62 0.41 0.00 -1.14 0.00 0.00 41.12 39.77 1qha n ASP 17 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1qha h GLN 18 N 0.00 0.00 -0.05 0.11 5.75 -2.00 -2.95 115.11 115.97 1qha h GLN 18 Ca -0.31 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.02 1qha h GLN 18 Cb 1.08 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.62 1qha h GLN 18 CO 0.31 0.23 -0.72 0.28 -2.65 0.00 0.00 178.83 176.28 1qha h VAL 19 N 0.00 1.42 -0.05 2.39 2.07 -1.95 -2.23 116.25 117.90 1qha h VAL 19 Ca -0.00 -2.23 -0.18 0.00 0.82 0.00 0.00 66.70 65.11 1qha h VAL 19 Cb 0.82 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 1qha h VAL 19 CO 0.03 0.66 -0.74 0.11 0.02 0.00 0.00 177.57 177.64 1qha h LYS 20 N 0.18 0.33 0.12 1.57 1.79 -1.92 -2.15 116.57 116.48 1qha h LYS 20 Ca -0.02 -0.28 -0.01 0.00 -2.18 0.00 0.00 60.65 58.16 1qha h LYS 20 Cb 1.29 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.00 1qha h LYS 20 CO 0.11 0.93 -0.06 0.87 -1.08 0.00 0.00 179.45 180.23 1qha h LYS 21 N 0.22 -0.15 -0.88 3.15 1.57 -1.29 -2.65 116.57 116.52 1qha h LYS 21 Ca -0.03 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1qha h LYS 21 Cb 1.32 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.60 1qha h LYS 21 CO 0.12 0.10 0.55 0.82 -0.57 0.00 0.00 179.45 180.47 1qha h ILE 22 N -0.40 1.03 -0.68 1.86 2.04 -1.43 0.30 117.51 120.22 1qha h ILE 22 Ca -0.02 -0.34 0.07 0.00 1.00 0.00 0.00 64.86 65.58 1qha h ILE 22 Cb 0.33 -0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.32 1qha h ILE 22 CO 0.03 0.18 0.45 0.44 0.00 0.00 0.00 178.15 179.25 1qha h ASP 23 N 0.98 0.59 0.04 1.72 3.32 -1.24 0.79 116.42 122.62 1qha h ASP 23 Ca 0.39 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.39 1qha h ASP 23 Cb 0.21 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.65 1qha h ASP 23 CO -0.19 0.38 -0.26 0.11 -1.72 0.00 0.00 179.24 177.56 1qha h LYS 24 N 0.67 0.11 -0.88 3.56 1.57 -0.81 -1.28 116.57 119.52 1qha h LYS 24 Ca 0.30 -0.17 0.14 0.00 -1.87 0.00 0.00 60.65 59.05 1qha h LYS 24 Cb 0.31 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.59 1qha h LYS 24 CO -0.10 1.04 0.48 -0.92 -0.57 0.00 0.00 179.45 179.38 1qha h TYR 25 N -0.72 0.84 -0.50 -1.35 5.03 0.66 -2.15 116.97 118.79 1qha h TYR 25 Ca -0.04 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.18 1qha h TYR 25 Cb 1.16 -0.24 -0.07 0.00 1.55 0.00 0.00 36.73 39.12 1qha h TYR 25 CO 0.23 0.23 0.10 1.28 -1.32 0.00 0.00 178.16 178.69 1qha n LEU 26 N -4.82 4.99 -0.32 2.82 4.77 0.26 -4.73 117.00 119.97 1qha n LEU 26 Ca 0.17 -3.22 0.19 0.00 -0.03 0.00 0.00 56.01 53.13 1qha n LEU 26 Cb 0.42 -0.65 0.39 0.00 -2.33 0.00 0.00 43.42 41.24 1qha n LEU 26 CO 0.22 0.82 0.95 0.22 -1.33 0.00 0.00 177.39 178.27 1qha h TYR 27 N 2.21 0.41 0.00 -1.77 3.20 -0.53 -1.15 116.97 119.34 1qha h TYR 27 Ca 0.15 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1qha h TYR 27 Cb 1.89 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 40.14 1qha h TYR 27 CO 0.96 -0.35 0.00 0.00 -1.64 0.00 0.00 178.16 177.13 1qha n ALA 28 N -2.69 1.98 0.33 1.82 0.00 -1.26 -2.70 120.51 117.99 1qha n ALA 28 Ca 0.27 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.74 1qha n ALA 28 Cb 0.89 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 1qha n ALA 28 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1qha n MET 29 N -1.34 0.44 -2.82 0.00 2.81 -0.44 -4.72 117.12 111.06 1qha n MET 29 Ca 0.08 -0.02 -0.43 0.00 -1.81 0.00 0.00 57.70 55.53 1qha n MET 29 Cb 0.17 -1.63 -0.03 0.00 -0.71 0.00 0.00 33.22 31.02 1qha n MET 29 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1qha s ARG 30 N -3.31 3.53 0.08 0.03 0.52 -1.10 -4.62 118.95 114.08 1qha s ARG 30 Ca 0.00 -1.45 -0.30 0.00 -0.52 0.00 0.00 55.73 53.46 1qha s ARG 30 Cb 0.13 -4.93 -0.05 0.00 0.52 0.00 0.00 34.95 30.62 1qha s ARG 30 CO 0.82 -1.90 1.03 -0.51 0.02 0.00 0.00 175.30 174.76 1qha s LEU 31 N 3.50 4.43 0.75 2.53 1.43 -1.26 -5.02 118.68 125.04 1qha s LEU 31 Ca 0.35 1.83 -0.08 0.00 -1.03 0.00 0.00 54.13 55.20 1qha s LEU 31 Cb -0.05 -3.58 0.07 0.00 0.03 0.00 0.00 46.19 42.66 1qha s LEU 31 CO -0.07 -0.22 1.07 -0.94 0.23 0.00 0.00 176.35 176.43 1qha s SER 32 N 0.48 4.64 0.40 2.29 1.04 -1.26 -4.86 113.70 116.42 1qha s SER 32 Ca 0.51 0.51 0.08 0.00 0.48 0.00 0.00 55.95 57.53 1qha s SER 32 Cb -0.24 -1.09 0.82 0.00 0.10 0.00 0.00 66.02 65.61 1qha s SER 32 CO 0.30 -1.74 1.99 0.44 0.98 0.00 0.00 173.24 175.21 1qha h ASP 33 N -0.77 0.37 -0.16 7.02 5.19 -1.98 -0.31 116.42 125.78 1qha h ASP 33 Ca -0.45 -0.04 -0.05 0.00 -0.62 0.00 0.00 57.03 55.88 1qha h ASP 33 Cb 1.32 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 40.73 1qha h ASP 33 CO 0.60 0.37 -0.08 -0.33 -3.12 0.00 0.00 179.24 176.69 1qha h GLU 34 N 0.41 0.34 -0.55 3.56 3.07 -1.98 0.52 114.58 119.95 1qha h GLU 34 Ca 0.10 -0.15 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 1qha h GLU 34 Cb 0.14 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.01 1qha h GLU 34 CO -0.01 0.65 0.31 1.15 -1.40 0.00 0.00 179.01 179.72 1qha h THR 35 N 0.01 1.16 -0.10 1.13 2.02 -1.87 -0.93 112.91 114.35 1qha h THR 35 Ca 0.04 -0.39 -0.20 0.00 0.77 0.00 0.00 66.41 66.63 1qha h THR 35 Cb 0.55 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1qha h THR 35 CO 0.02 0.18 -0.75 -0.07 0.37 0.00 0.00 175.52 175.27 1qha h LEU 36 N 0.75 0.63 -1.61 2.58 3.38 -0.39 0.22 115.31 120.87 1qha h LEU 36 Ca 0.20 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1qha h LEU 36 Cb -0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1qha h LEU 36 CO -0.03 1.17 -0.09 0.40 0.09 0.00 0.00 178.44 179.98 1qha h ILE 37 N 0.36 1.12 -0.10 1.22 1.08 0.21 -0.64 117.51 120.77 1qha h ILE 37 Ca -0.04 -0.53 -0.13 0.00 -0.39 0.00 0.00 64.86 63.76 1qha h ILE 37 Cb 1.35 1.16 0.01 0.00 -3.07 0.00 0.00 36.82 36.26 1qha h ILE 37 CO 0.14 0.16 -0.46 -0.78 -0.69 0.00 0.00 178.15 176.52 1qha h ASP 38 N 0.13 0.58 -0.78 1.72 1.82 0.67 -2.71 116.42 117.85 1qha h ASP 38 Ca 0.03 -0.64 0.09 0.00 -0.39 0.00 0.00 57.03 56.12 1qha h ASP 38 Cb 0.25 -0.17 -0.07 0.00 0.68 0.00 0.00 39.33 40.02 1qha h ASP 38 CO 0.01 1.12 0.43 0.40 -1.61 0.00 0.00 179.24 179.60 1qha h ILE 39 N 0.08 0.91 -0.64 2.25 1.08 0.59 -2.59 117.51 119.18 1qha h ILE 39 Ca -0.03 -0.26 -0.04 0.00 -0.39 0.00 0.00 64.86 64.14 1qha h ILE 39 Cb 1.10 0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 1qha h ILE 39 CO 0.10 0.14 0.23 -0.03 -0.69 0.00 0.00 178.15 177.89 1qha h MET 40 N 0.75 0.98 0.01 2.37 4.05 -1.16 -0.47 114.93 121.46 1qha h MET 40 Ca 0.37 -0.19 -0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1qha h MET 40 Cb 0.32 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 1qha h MET 40 CO -0.24 0.84 -0.00 1.15 0.23 0.00 0.00 176.91 178.89 1qha h THR 41 N 0.92 1.12 -0.71 -0.77 2.02 -1.14 0.19 112.91 114.53 1qha h THR 41 Ca 0.21 -0.36 0.09 0.00 0.77 0.00 0.00 66.41 67.12 1qha h THR 41 Cb 0.25 1.36 -0.07 0.00 -1.74 0.00 0.00 68.15 67.95 1qha h THR 41 CO -0.01 0.09 0.37 0.03 0.37 0.00 0.00 175.52 176.37 1qha h ARG 42 N -0.16 0.61 -0.21 6.66 3.08 -1.13 -1.21 114.38 122.01 1qha h ARG 42 Ca -0.00 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1qha h ARG 42 Cb 0.16 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1qha h ARG 42 CO 0.00 0.40 -0.12 0.35 -1.07 0.00 0.00 179.97 179.54 1qha h PHE 43 N 0.63 0.36 -0.55 3.04 3.57 -0.37 0.83 116.94 124.45 1qha h PHE 43 Ca 0.35 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.77 1qha h PHE 43 Cb 0.34 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1qha h PHE 43 CO -0.10 0.46 0.22 -0.09 -2.23 0.00 0.00 178.31 176.57 1qha h ARG 44 N 0.32 0.80 0.11 1.11 9.65 0.47 -2.22 114.38 124.62 1qha h ARG 44 Ca 0.06 -0.12 -0.28 0.00 -1.10 0.00 0.00 59.98 58.54 1qha h ARG 44 Cb 0.41 -0.14 0.02 0.00 -1.39 0.00 0.00 29.97 28.87 1qha h ARG 44 CO 0.02 0.66 -1.20 0.87 2.80 0.00 0.00 179.97 183.12 1qha h LYS 45 N 0.79 0.49 -0.84 0.20 1.57 -0.16 -3.08 116.57 115.54 1qha h LYS 45 Ca 0.19 -0.67 0.03 0.00 -1.87 0.00 0.00 60.65 58.33 1qha h LYS 45 Cb 0.16 0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.65 1qha h LYS 45 CO -0.02 1.29 0.55 0.93 -0.57 0.00 0.00 179.45 181.63 1qha h GLU 46 N 0.21 1.02 -0.14 3.15 4.39 -0.59 0.26 114.58 122.89 1qha h GLU 46 Ca -0.16 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 1qha h GLU 46 Cb 1.88 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 30.29 1qha h GLU 46 CO 0.22 0.68 0.06 0.52 -1.16 0.00 0.00 179.01 179.32 1qha h MET 47 N 1.05 0.21 -0.22 2.33 2.86 -1.47 0.36 114.93 120.04 1qha h MET 47 Ca 0.33 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.99 1qha h MET 47 Cb 0.01 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.58 1qha h MET 47 CO -0.09 0.29 -0.13 -0.22 1.06 0.00 0.00 176.91 177.82 1qha h LYS 48 N 0.08 -0.11 -0.70 1.72 3.64 -1.39 -0.34 116.57 119.47 1qha h LYS 48 Ca 0.05 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1qha h LYS 48 Cb 0.16 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1qha h LYS 48 CO -0.00 -0.07 0.41 -0.91 -2.27 0.00 0.00 179.45 176.61 1qha h ASN 49 N -0.11 0.64 1.05 4.20 -0.26 0.13 -2.58 115.58 118.65 1qha h ASN 49 Ca 0.12 0.02 -0.08 0.00 -0.56 0.00 0.00 56.30 55.80 1qha h ASN 49 Cb 0.30 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 1qha h ASN 49 CO -0.30 0.43 -0.38 1.23 -1.06 0.00 0.00 177.43 177.35 1qha h GLY 50 N 0.78 0.00 1.97 2.83 0.00 0.71 -2.89 103.07 106.47 1qha h GLY 50 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1qha h GLY 50 CO -0.15 0.00 -0.03 1.41 0.00 0.00 0.00 176.54 177.77 1qha h LEU 51 N 0.00 0.00 -9.61 3.11 3.38 -0.79 -3.43 115.31 107.97 1qha h LEU 51 Ca -0.00 -0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.45 1qha h LEU 51 Cb 1.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1qha h LEU 51 CO 0.05 0.00 0.33 -0.55 0.09 0.00 0.00 178.44 178.36 1qha s SER 52 N -5.78 7.49 0.33 -0.43 0.15 -1.00 -2.29 113.70 112.18 1qha s SER 52 Ca 0.08 1.78 0.05 0.00 0.70 0.00 0.00 55.95 58.56 1qha s SER 52 Cb 0.07 -2.58 0.59 0.00 -1.71 0.00 0.00 66.02 62.40 1qha s SER 52 CO 0.66 0.01 1.85 0.08 1.20 0.00 0.00 173.24 177.03 1qha h ARG 53 N 5.22 0.47 0.84 5.44 0.11 -1.89 -1.88 114.38 122.69 1qha h ARG 53 Ca -0.44 -0.11 -0.04 0.00 0.10 0.00 0.00 59.98 59.49 1qha h ARG 53 Cb 1.21 -0.06 0.01 0.00 1.11 0.00 0.00 29.97 32.23 1qha h ARG 53 CO 0.71 0.55 -0.40 -0.44 0.10 0.00 0.00 179.97 180.49 1qha h ASP 54 N 0.45 -0.95 0.21 0.08 3.32 -1.92 -3.37 116.42 114.23 1qha h ASP 54 Ca 0.09 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1qha h ASP 54 Cb 0.40 0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1qha h ASP 54 CO 0.02 -0.61 -0.20 0.49 -1.72 0.00 0.00 179.24 177.22 1qha n PHE 55 N -5.42 0.00 -0.28 4.55 3.72 -1.10 -4.47 117.46 114.46 1qha n PHE 55 Ca -0.14 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.21 1qha n PHE 55 Cb 0.44 -0.11 0.06 0.00 -0.94 0.00 0.00 39.48 38.94 1qha n PHE 55 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1qha h ASN 56 N 1.33 0.99 -0.66 4.37 -1.24 -1.14 -1.74 115.58 117.49 1qha h ASN 56 Ca 0.00 -0.12 0.14 0.00 0.71 0.00 0.00 56.30 57.03 1qha h ASN 56 Cb 0.49 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 39.25 1qha h ASN 56 CO 0.00 0.83 0.45 -0.65 -1.29 0.00 0.00 177.43 176.78 1qha h PRO 57 N 1.07 0.27 0.00 6.67 0.11 -1.85 -0.77 132.00 137.51 1qha h PRO 57 Ca 0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1qha h PRO 57 Cb 0.09 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.14 1qha h PRO 57 CO -0.04 0.18 -1.05 2.41 -0.21 0.00 0.00 178.00 179.30 1qha n THR 58 N -4.44 0.00 -1.86 -1.15 -1.04 -1.14 -5.00 114.28 99.64 1qha n THR 58 Ca 0.12 -0.08 -0.41 0.00 -2.04 0.00 0.00 64.05 61.64 1qha n THR 58 Cb 0.53 0.90 -0.01 0.00 -1.82 0.00 0.00 70.33 69.93 1qha n THR 58 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qha s ALA 59 N -2.94 3.64 -0.50 2.41 0.00 -0.30 -4.90 121.76 119.18 1qha s ALA 59 Ca 0.06 1.50 0.24 0.00 0.00 0.00 0.00 51.96 53.75 1qha s ALA 59 Cb 0.15 -3.60 0.43 0.00 0.00 0.00 0.00 23.12 20.09 1qha s ALA 59 CO 0.82 -0.93 1.60 1.79 0.00 0.00 0.00 175.76 179.05 1qha h THR 60 N 3.25 0.00 -3.59 0.00 1.35 -1.90 -3.41 112.91 108.60 1qha h THR 60 Ca -0.48 -0.86 -0.75 0.00 -0.55 0.00 0.00 66.41 63.77 1qha h THR 60 Cb 1.23 1.82 -0.29 0.00 -1.73 0.00 0.00 68.15 69.17 1qha h THR 60 CO 0.73 0.00 -0.15 -0.69 -0.25 0.00 0.00 175.52 175.15 1qha s VAL 61 N -3.19 4.75 0.48 6.82 1.01 -1.26 -4.50 120.40 124.50 1qha s VAL 61 Ca 0.07 -2.44 0.41 0.00 0.00 0.00 0.00 61.98 60.02 1qha s VAL 61 Cb 0.07 -4.01 0.42 0.00 0.00 0.00 0.00 36.38 32.86 1qha s VAL 61 CO 0.66 -0.93 2.25 0.11 0.00 0.00 0.00 175.10 177.19 1qha h LYS 62 N 7.74 0.00 -6.62 2.72 1.79 -1.78 -3.35 116.57 117.06 1qha h LYS 62 Ca -0.02 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.93 1qha h LYS 62 Cb 1.02 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.58 1qha h LYS 62 CO 0.78 0.00 -0.90 -1.33 -1.08 0.00 0.00 179.45 176.92 1qha n MET 63 N -3.04 -2.82 -1.86 3.15 2.81 -1.08 -4.80 117.12 109.48 1qha n MET 63 Ca -0.02 0.34 -0.42 0.00 -1.81 0.00 0.00 57.70 55.79 1qha n MET 63 Cb 0.13 -4.37 -0.03 0.00 -0.71 0.00 0.00 33.22 28.24 1qha n MET 63 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1qha s LEU 64 N -7.06 4.38 0.34 4.03 1.43 -0.77 -4.75 118.68 116.28 1qha s LEU 64 Ca 0.04 2.49 -0.29 0.00 -1.03 0.00 0.00 54.13 55.34 1qha s LEU 64 Cb -0.02 -3.55 -0.11 0.00 0.03 0.00 0.00 46.19 42.55 1qha s LEU 64 CO 0.91 -0.96 1.45 -2.84 0.23 0.00 0.00 176.35 175.15 1qha s PRO 65 N 3.58 4.19 0.00 1.29 0.02 -1.26 -0.49 135.00 142.33 1qha s PRO 65 Ca 0.79 2.46 0.06 0.00 0.02 0.00 0.00 61.00 64.33 1qha s PRO 65 Cb -0.39 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 31.11 1qha s PRO 65 CO 0.34 -0.45 0.46 0.25 -0.33 0.00 0.00 177.00 177.28 1qha n THR 66 N 0.94 0.00 -1.66 0.99 -2.24 -1.08 -4.59 114.28 106.65 1qha n THR 66 Ca 0.02 -0.43 -0.19 0.00 -2.27 0.00 0.00 64.05 61.18 1qha n THR 66 Cb 0.40 1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 69.62 1qha n THR 66 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1qha n PHE 67 N -0.42 -0.20 -3.73 4.78 3.01 -1.26 -4.71 117.46 114.92 1qha n PHE 67 Ca 0.02 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.12 1qha n PHE 67 Cb 0.12 -3.34 -0.11 0.00 -0.01 0.00 0.00 39.48 36.14 1qha n PHE 67 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1qha s VAL 68 N -2.66 4.82 -2.06 -4.37 1.01 -1.26 -4.86 120.40 111.01 1qha s VAL 68 Ca 0.00 -0.00 0.22 0.00 0.00 0.00 0.00 61.98 62.20 1qha s VAL 68 Cb 0.00 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 33.13 1qha s VAL 68 CO 0.00 0.33 1.07 0.54 0.00 0.00 0.00 175.10 177.04 1qha n ARG 69 N 4.70 1.37 -3.61 2.72 1.74 -1.26 -1.16 116.66 121.17 1qha n ARG 69 Ca -0.15 -1.07 -0.02 0.00 -0.77 0.00 0.00 57.85 55.84 1qha n ARG 69 Cb 0.52 -1.45 -0.01 0.00 -1.02 0.00 0.00 32.46 30.49 1qha n ARG 69 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1qha s SER 70 N -2.35 -0.09 0.66 0.55 1.04 -1.26 -4.68 113.70 107.57 1qha s SER 70 Ca 0.19 -0.06 -0.11 0.00 0.48 0.00 0.00 55.95 56.45 1qha s SER 70 Cb 0.18 0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.41 1qha s SER 70 CO 0.52 -0.24 1.05 0.27 0.98 0.00 0.00 173.24 175.82 1qha s ILE 71 N -2.38 4.34 0.44 -1.02 -4.36 -1.26 -4.92 121.20 112.04 1qha s ILE 71 Ca 0.12 0.76 -0.23 0.00 -0.26 0.00 0.00 60.65 61.03 1qha s ILE 71 Cb 0.02 -3.68 -0.10 0.00 1.25 0.00 0.00 42.46 39.95 1qha s ILE 71 CO -0.04 -0.99 0.94 -2.65 0.24 0.00 0.00 174.94 172.44 1qha n PRO 72 N -2.90 1.20 -0.33 0.37 -0.02 -1.26 -4.94 135.00 127.12 1qha n PRO 72 Ca 0.07 0.43 0.08 0.00 -2.02 0.00 0.00 63.50 62.06 1qha n PRO 72 Cb 0.54 -1.99 0.21 0.00 -0.02 0.00 0.00 33.50 32.24 1qha n PRO 72 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1qha n ASP 73 N 0.45 3.07 0.00 2.55 5.68 -1.26 -4.80 116.55 122.25 1qha n ASP 73 Ca 0.10 -3.14 0.00 0.00 -0.50 0.00 0.00 54.79 51.25 1qha n ASP 73 Cb 0.40 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 1qha n ASP 73 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qha n GLY 74 N -0.96 2.70 0.28 6.12 0.00 -1.26 -4.86 105.19 107.21 1qha n GLY 74 Ca 0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.35 1qha n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qha n SER 75 N 0.00 1.12 -4.77 1.61 3.41 -1.26 -4.88 113.62 108.84 1qha n SER 75 Ca 0.00 -0.97 -0.38 0.00 -0.26 0.00 0.00 58.87 57.26 1qha n SER 75 Cb 0.00 0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.07 1qha n SER 75 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1qha s GLU 76 N -2.46 4.06 -0.13 4.33 1.03 -1.26 -5.05 118.70 119.22 1qha s GLU 76 Ca 0.25 1.84 -0.21 0.00 0.03 0.00 0.00 54.97 56.88 1qha s GLU 76 Cb 0.19 -2.68 0.05 0.00 -0.80 0.00 0.00 34.13 30.90 1qha s GLU 76 CO 0.51 -0.31 0.54 -1.59 -1.33 0.00 0.00 175.26 173.07 1qha s LYS 77 N -2.29 0.75 0.00 -4.83 -2.85 -1.26 -4.65 119.74 104.61 1qha s LYS 77 Ca 0.57 0.46 0.00 0.00 -1.00 0.00 0.00 55.97 56.00 1qha s LYS 77 Cb -0.31 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 35.82 1qha s LYS 77 CO 0.39 -0.16 0.00 0.41 0.10 0.00 0.00 175.35 176.08 1qha n GLY 78 N 2.02 0.16 2.74 0.59 0.00 -1.01 -5.00 105.19 104.69 1qha n GLY 78 Ca -0.16 -1.72 -0.28 0.00 0.00 0.00 0.00 46.02 43.86 1qha n GLY 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qha s ASP 79 N -2.97 3.03 -0.10 1.61 -1.08 -1.26 -2.05 116.67 113.86 1qha s ASP 79 Ca 0.00 -0.90 0.04 0.00 -0.52 0.00 0.00 52.55 51.17 1qha s ASP 79 Cb 0.00 -0.63 0.00 0.00 -1.46 0.00 0.00 42.92 40.83 1qha s ASP 79 CO 0.00 -0.31 -0.23 -0.36 0.52 0.00 0.00 175.17 174.78 1qha s PHE 80 N 1.83 2.51 0.18 -5.34 0.08 0.35 -4.37 117.98 113.21 1qha s PHE 80 Ca -0.00 -1.03 -0.28 0.00 0.12 0.00 0.00 56.93 55.73 1qha s PHE 80 Cb -0.17 -1.68 -0.08 0.00 -0.57 0.00 0.00 43.02 40.52 1qha s PHE 80 CO -0.10 -0.42 0.89 0.42 -0.10 0.00 0.00 175.22 175.91 1qha s ILE 81 N 0.37 4.29 -0.04 0.64 -1.09 -1.09 -0.14 121.20 124.14 1qha s ILE 81 Ca -0.18 1.95 -0.00 0.00 -2.23 0.00 0.00 60.65 60.18 1qha s ILE 81 Cb -0.18 -4.26 0.03 0.00 -1.58 0.00 0.00 42.46 36.47 1qha s ILE 81 CO 0.08 0.46 -0.00 0.00 -1.23 0.00 0.00 174.94 174.25 1qha s ALA 82 N -0.83 0.43 0.01 9.38 0.00 -0.12 -1.23 121.76 129.40 1qha s ALA 82 Ca 0.41 0.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 1qha s ALA 82 Cb -0.24 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 1qha s ALA 82 CO 0.29 -0.18 0.18 -0.51 0.00 0.00 0.00 175.76 175.54 1qha s LEU 83 N 1.29 4.31 -0.35 0.00 1.43 0.20 -0.70 118.68 124.85 1qha s LEU 83 Ca -0.06 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 1qha s LEU 83 Cb -0.13 -2.65 0.11 0.00 0.03 0.00 0.00 46.19 43.55 1qha s LEU 83 CO -0.02 0.24 0.13 -0.62 0.23 0.00 0.00 176.35 176.31 1qha s ASP 84 N -2.04 4.07 0.10 2.29 -1.08 0.52 0.21 116.67 120.75 1qha s ASP 84 Ca 0.28 -2.02 0.09 0.00 -0.52 0.00 0.00 52.55 50.38 1qha s ASP 84 Cb -0.13 -1.06 -0.04 0.00 -1.46 0.00 0.00 42.92 40.23 1qha s ASP 84 CO 0.20 -0.37 -0.20 -0.22 0.52 0.00 0.00 175.17 175.10 1qha s LEU 85 N 1.11 2.59 0.00 -1.34 2.96 -0.03 -2.22 118.68 121.76 1qha s LEU 85 Ca 0.12 -0.57 0.00 0.00 -0.22 0.00 0.00 54.13 53.46 1qha s LEU 85 Cb -0.20 -1.47 0.00 0.00 0.50 0.00 0.00 46.19 45.03 1qha s LEU 85 CO -0.15 0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.69 1qha n GLY 86 N 0.99 0.96 0.00 7.98 0.00 -1.26 -2.28 105.19 111.58 1qha n GLY 86 Ca -0.16 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1qha n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qha n GLY 87 N 0.00 1.38 0.22 -0.02 0.00 -1.26 -4.90 105.19 100.61 1qha n GLY 87 Ca 0.00 -1.75 0.15 0.00 0.00 0.00 0.00 46.02 44.42 1qha n GLY 87 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qha h SER 88 N 0.00 0.00 -4.10 1.61 4.64 -2.00 -3.44 113.55 110.26 1qha h SER 88 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1qha h SER 88 Cb 0.00 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 61.84 1qha h SER 88 CO 0.00 0.00 -0.50 -0.44 -0.87 0.00 0.00 176.83 175.02 1qha s SER 89 N -5.31 -0.14 -0.36 4.97 0.01 -1.26 -5.10 113.70 106.51 1qha s SER 89 Ca 0.03 0.22 -0.24 0.00 1.31 0.00 0.00 55.95 57.28 1qha s SER 89 Cb 0.09 0.33 0.01 0.00 0.21 0.00 0.00 66.02 66.65 1qha s SER 89 CO 0.52 -0.14 0.81 0.12 0.41 0.00 0.00 173.24 174.96 1qha s PHE 90 N -0.28 3.12 0.08 2.43 5.36 -1.26 -4.77 117.98 122.66 1qha s PHE 90 Ca -0.04 0.63 0.06 0.00 -0.96 0.00 0.00 56.93 56.62 1qha s PHE 90 Cb -0.03 -3.42 -0.03 0.00 -0.34 0.00 0.00 43.02 39.20 1qha s PHE 90 CO 0.01 -0.73 -0.15 -0.98 -1.46 0.00 0.00 175.22 171.91 1qha s ARG 91 N 3.15 0.91 -0.18 10.12 1.70 -0.94 -1.47 118.95 132.24 1qha s ARG 91 Ca 0.33 -1.04 -0.00 0.00 -0.47 0.00 0.00 55.73 54.55 1qha s ARG 91 Cb -0.13 -0.94 0.04 0.00 -0.57 0.00 0.00 34.95 33.35 1qha s ARG 91 CO 0.17 0.21 -0.07 0.42 -1.08 0.00 0.00 175.30 174.95 1qha s ILE 92 N -1.38 1.26 0.21 4.99 1.01 -1.14 -0.35 121.20 125.79 1qha s ILE 92 Ca 0.01 -0.74 0.09 0.00 0.00 0.00 0.00 60.65 60.02 1qha s ILE 92 Cb -0.09 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 1qha s ILE 92 CO 0.03 0.14 -0.09 -0.76 0.00 0.00 0.00 174.94 174.26 1qha s LEU 93 N 1.57 2.96 -0.27 2.97 1.02 0.12 -1.47 118.68 125.58 1qha s LEU 93 Ca 0.00 -0.64 0.03 0.00 0.02 0.00 0.00 54.13 53.54 1qha s LEU 93 Cb -0.15 -1.60 0.07 0.00 0.02 0.00 0.00 46.19 44.52 1qha s LEU 93 CO -0.08 0.08 -0.08 -0.60 0.02 0.00 0.00 176.35 175.69 1qha s ARG 94 N -3.06 2.04 -0.24 1.70 3.52 0.43 -0.95 118.95 122.39 1qha s ARG 94 Ca 0.27 -1.39 -0.10 0.00 -0.13 0.00 0.00 55.73 54.38 1qha s ARG 94 Cb -0.08 -2.90 -0.05 0.00 -1.56 0.00 0.00 34.95 30.37 1qha s ARG 94 CO 0.16 -0.64 0.14 0.08 -0.81 0.00 0.00 175.30 174.23 1qha s VAL 95 N 1.11 5.13 -0.06 7.11 1.01 0.81 -2.45 120.40 133.05 1qha s VAL 95 Ca -0.05 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.08 1qha s VAL 95 Cb -0.20 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.78 1qha s VAL 95 CO -0.06 0.35 -0.22 -1.10 0.00 0.00 0.00 175.10 174.07 1qha s GLN 96 N 1.14 2.62 -0.03 2.72 -0.21 0.62 -0.50 119.66 126.03 1qha s GLN 96 Ca 0.07 -0.85 -0.01 0.00 0.02 0.00 0.00 55.36 54.59 1qha s GLN 96 Cb -0.14 -2.24 0.03 0.00 1.00 0.00 0.00 33.01 31.66 1qha s GLN 96 CO 0.05 0.41 0.04 0.08 -2.12 0.00 0.00 175.29 173.75 1qha s VAL 97 N -0.21 -0.07 0.03 1.09 1.01 -0.87 0.45 120.40 121.84 1qha s VAL 97 Ca -0.02 0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 1qha s VAL 97 Cb -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 36.38 36.10 1qha s VAL 97 CO 0.03 0.13 0.02 0.54 0.00 0.00 0.00 175.10 175.82 1qha s ASN 98 N 1.58 0.27 0.00 3.32 2.20 -1.26 -2.42 114.94 118.63 1qha s ASN 98 Ca -0.03 -0.62 0.00 0.00 -0.94 0.00 0.00 52.86 51.27 1qha s ASN 98 Cb -0.13 0.17 0.00 0.00 -2.00 0.00 0.00 41.25 39.29 1qha s ASN 98 CO -0.03 -0.45 0.00 0.00 -2.94 0.00 0.00 177.10 173.68 1qha n HIS 99 N 0.95 0.00 -2.79 1.54 1.44 -1.26 -4.35 115.22 110.75 1qha n HIS 99 Ca -0.20 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.09 1qha n HIS 99 Cb 0.58 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.65 1qha n HIS 99 CO 0.00 0.00 0.00 -2.00 -2.81 0.00 0.00 176.34 171.53 1qha s GLU 100 N 0.28 4.06 0.00 -1.40 -6.30 -1.26 -3.81 118.70 110.28 1qha s GLU 100 Ca 0.00 0.90 0.00 0.00 -2.50 0.00 0.00 54.97 53.37 1qha s GLU 100 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 34.13 30.42 1qha s GLU 100 CO 0.00 -0.74 0.00 1.63 0.02 0.00 0.00 175.26 176.17 1qha n LYS 101 N 6.45 0.00 -3.99 4.30 5.02 -1.26 -5.16 118.16 123.52 1qha n LYS 101 Ca 0.08 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.26 1qha n LYS 101 Cb 0.47 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.36 1qha n LYS 101 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1qha s ASN 102 N -4.00 0.35 0.00 4.39 0.01 -1.25 -5.11 114.94 109.33 1qha s ASN 102 Ca 0.00 -0.33 0.00 0.00 -0.71 0.00 0.00 52.86 51.82 1qha s ASN 102 Cb 0.00 0.04 0.00 0.00 0.41 0.00 0.00 41.25 41.70 1qha s ASN 102 CO 0.00 -0.16 0.00 0.00 -1.51 0.00 0.00 177.10 175.43 1qha n GLN 103 N 2.13 0.00 0.00 -0.60 6.02 -1.25 -4.99 117.38 118.68 1qha n GLN 103 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.80 1qha n GLN 103 Cb 0.57 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.83 1qha n GLN 103 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1qha n ASN 104 N 0.00 0.00 -3.26 1.08 6.94 -1.26 -5.11 115.26 113.65 1qha n ASN 104 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 54.58 54.59 1qha n ASN 104 Cb 0.00 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 1qha n ASN 104 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1qha s VAL 105 N -0.88 -0.71 -0.10 3.53 1.01 -1.26 -4.10 120.40 117.88 1qha s VAL 105 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 1qha s VAL 105 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1qha s VAL 105 CO 0.00 0.00 -0.07 -2.28 0.00 0.00 0.00 175.10 172.75 1qha s HIS 106 N 2.82 2.95 -0.01 5.22 5.04 0.17 -4.93 115.29 126.55 1qha s HIS 106 Ca 0.06 -0.16 0.04 0.00 -1.54 0.00 0.00 55.06 53.46 1qha s HIS 106 Cb -0.11 -1.81 -0.01 0.00 0.04 0.00 0.00 32.58 30.69 1qha s HIS 106 CO -0.17 0.14 -0.13 -1.64 -2.34 0.00 0.00 174.74 170.60 1qha s MET 107 N -0.28 1.07 0.00 2.88 -1.94 -1.26 -0.27 119.30 119.51 1qha s MET 107 Ca 0.04 -0.47 0.04 0.00 -1.71 0.00 0.00 55.69 53.59 1qha s MET 107 Cb -0.13 -1.03 -0.01 0.00 2.01 0.00 0.00 34.83 35.67 1qha s MET 107 CO 0.02 0.28 -0.11 -1.83 -0.01 0.00 0.00 175.02 173.37 1qha s GLU 108 N -0.30 0.85 0.20 2.03 -1.05 -1.02 -4.98 118.70 114.44 1qha s GLU 108 Ca 0.05 -0.48 -0.10 0.00 -0.15 0.00 0.00 54.97 54.29 1qha s GLU 108 Cb -0.05 -0.82 -0.01 0.00 -0.44 0.00 0.00 34.13 32.81 1qha s GLU 108 CO -0.00 0.22 0.36 -1.54 0.95 0.00 0.00 175.26 175.24 1qha s SER 109 N -0.51 -0.02 -0.02 0.83 1.04 -1.26 -0.43 113.70 113.33 1qha s SER 109 Ca 0.03 -0.92 0.01 0.00 0.48 0.00 0.00 55.95 55.55 1qha s SER 109 Cb -0.05 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.58 1qha s SER 109 CO -0.00 -0.99 -0.04 -1.61 0.98 0.00 0.00 173.24 171.58 1qha s GLU 110 N -4.00 0.45 0.20 4.02 2.02 -0.54 -5.00 118.70 115.85 1qha s GLU 110 Ca 0.21 -0.10 -0.26 0.00 0.02 0.00 0.00 54.97 54.84 1qha s GLU 110 Cb 0.02 -0.48 -0.08 0.00 0.10 0.00 0.00 34.13 33.68 1qha s GLU 110 CO 0.05 0.01 0.82 0.54 0.02 0.00 0.00 175.26 176.70 1qha s VAL 111 N 0.34 4.31 -0.05 2.63 0.11 -1.26 -2.89 120.40 123.59 1qha s VAL 111 Ca -0.04 1.75 0.04 0.00 -2.93 0.00 0.00 61.98 60.81 1qha s VAL 111 Cb -0.07 -4.14 -0.00 0.00 -1.53 0.00 0.00 36.38 30.64 1qha s VAL 111 CO -0.00 0.46 -0.18 -0.31 -3.33 0.00 0.00 175.10 171.74 1qha s TYR 112 N -1.23 1.80 0.57 1.54 2.02 -0.54 -5.01 117.35 116.50 1qha s TYR 112 Ca 0.39 -0.55 -0.16 0.00 -0.37 0.00 0.00 57.07 56.37 1qha s TYR 112 Cb -0.23 -1.22 -0.05 0.00 -0.40 0.00 0.00 41.96 40.06 1qha s TYR 112 CO 0.27 -0.20 1.03 -0.51 -1.57 0.00 0.00 175.55 174.57 1qha s ASP 113 N 0.11 6.07 -0.31 2.29 1.01 -1.26 -4.29 116.67 120.30 1qha s ASP 113 Ca -0.06 1.72 -0.02 0.00 0.71 0.00 0.00 52.55 54.90 1qha s ASP 113 Cb -0.13 -2.52 0.10 0.00 1.01 0.00 0.00 42.92 41.39 1qha s ASP 113 CO 0.03 -0.97 0.12 -0.89 0.21 0.00 0.00 175.17 173.68 1qha s THR 114 N -2.55 0.42 1.14 -1.27 2.01 -1.26 -5.07 115.64 109.06 1qha s THR 114 Ca 0.62 -1.17 -0.14 0.00 0.31 0.00 0.00 61.69 61.31 1qha s THR 114 Cb -0.14 -1.33 0.26 0.00 0.01 0.00 0.00 72.50 71.30 1qha s THR 114 CO 0.36 -0.73 1.05 -2.84 -0.69 0.00 0.00 174.62 171.77 1qha s PRO 115 N 1.76 -0.72 0.26 4.92 0.02 -1.26 -4.73 135.00 135.25 1qha s PRO 115 Ca 0.10 0.58 -0.02 0.00 0.02 0.00 0.00 61.00 61.68 1qha s PRO 115 Cb -0.17 -1.60 0.48 0.00 0.02 0.00 0.00 34.50 33.22 1qha s PRO 115 CO -0.28 -3.52 1.79 1.49 -0.33 0.00 0.00 177.00 176.15 1qha h GLU 116 N -2.47 0.73 0.00 5.54 4.57 -2.01 -1.73 114.58 119.22 1qha h GLU 116 Ca -0.58 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.55 1qha h GLU 116 Cb 1.34 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.76 1qha h GLU 116 CO 0.51 0.48 -0.05 -0.97 -1.18 0.00 0.00 179.01 177.80 1qha h ASN 117 N 0.75 0.00 0.02 1.04 -1.24 -1.94 -2.24 115.58 111.97 1qha h ASN 117 Ca 0.44 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.36 1qha h ASN 117 Cb 0.50 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.55 1qha h ASN 117 CO -0.30 0.05 -0.43 0.40 -1.29 0.00 0.00 177.43 175.87 1qha h ILE 118 N 0.00 1.54 0.00 2.57 1.08 -1.66 -1.80 117.51 119.25 1qha h ILE 118 Ca -0.00 -2.34 -0.07 0.00 -0.39 0.00 0.00 64.86 62.06 1qha h ILE 118 Cb 0.13 3.10 -0.01 0.00 -3.07 0.00 0.00 36.82 36.97 1qha h ILE 118 CO 0.01 0.57 -0.34 1.62 -0.69 0.00 0.00 178.15 179.32 1qha h VAL 119 N -0.88 0.89 -0.29 1.67 3.04 -1.37 -2.47 116.25 116.84 1qha h VAL 119 Ca -0.10 -1.36 0.00 0.00 -1.01 0.00 0.00 66.70 64.22 1qha h VAL 119 Cb 1.18 1.82 0.00 0.00 -2.01 0.00 0.00 31.29 32.29 1qha h VAL 119 CO -0.02 0.34 0.00 1.41 -1.01 0.00 0.00 177.57 178.29 1qha n HIS 120 N -3.62 0.38 -0.34 3.17 8.25 -0.85 -0.22 115.22 121.99 1qha n HIS 120 Ca -0.01 -0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 1qha n HIS 120 Cb 0.46 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.56 1qha n HIS 120 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qha n GLY 121 N 0.90 1.53 3.86 -1.41 0.00 -0.67 -4.64 105.19 104.75 1qha n GLY 121 Ca 0.13 -1.68 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 1qha n GLY 121 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qha s SER 122 N -1.00 6.49 0.39 1.61 1.04 -1.26 -1.76 113.70 119.21 1qha s SER 122 Ca 0.00 1.45 0.07 0.00 0.48 0.00 0.00 55.95 57.95 1qha s SER 122 Cb 0.00 -2.47 0.80 0.00 0.10 0.00 0.00 66.02 64.45 1qha s SER 122 CO 0.00 -0.64 2.01 1.23 0.98 0.00 0.00 173.24 176.82 1qha h GLY 123 N 0.59 0.56 0.93 7.32 0.00 0.15 -2.12 103.07 110.51 1qha h GLY 123 Ca -0.46 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 1qha h GLY 123 CO 0.62 0.23 -0.28 1.76 0.00 0.00 0.00 176.54 178.87 1qha h SER 124 N 0.53 -0.68 -0.67 0.19 0.02 -1.92 -0.92 113.55 110.11 1qha h SER 124 Ca 0.14 0.03 0.16 0.00 -0.84 0.00 0.00 61.79 61.28 1qha h SER 124 Cb 0.04 0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 1qha h SER 124 CO -0.02 -0.45 0.46 -0.61 -1.14 0.00 0.00 176.83 175.07 1qha h GLN 125 N -0.73 0.20 0.01 3.45 4.15 -1.84 0.42 115.11 120.79 1qha h GLN 125 Ca -0.06 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.26 1qha h GLN 125 Cb 0.58 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.23 1qha h GLN 125 CO 0.08 0.13 -0.33 1.25 -1.93 0.00 0.00 178.83 178.04 1qha h LEU 126 N 0.21 0.26 -0.48 -2.39 5.85 -0.81 -0.50 115.31 117.45 1qha h LEU 126 Ca 0.32 -0.81 -0.14 0.00 0.84 0.00 0.00 57.88 58.08 1qha h LEU 126 Cb 0.98 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1qha h LEU 126 CO -0.06 1.05 -0.69 -0.26 -0.34 0.00 0.00 178.44 178.14 1qha h PHE 127 N -0.49 0.00 -0.47 1.25 0.04 -1.02 0.89 116.94 117.14 1qha h PHE 127 Ca -0.04 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1qha h PHE 127 Cb 1.11 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.24 1qha h PHE 127 CO 0.19 0.69 0.24 -0.44 -0.60 0.00 0.00 178.31 178.38 1qha h ASP 128 N 0.00 0.61 -0.27 2.17 3.32 -0.06 0.22 116.42 122.41 1qha h ASP 128 Ca -0.01 -0.12 0.05 0.00 0.02 0.00 0.00 57.03 56.98 1qha h ASP 128 Cb 1.30 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.64 1qha h ASP 128 CO 0.09 0.55 -0.07 -0.74 -1.72 0.00 0.00 179.24 177.35 1qha h HIS 129 N 0.62 -0.15 -0.82 4.55 2.76 -0.64 0.68 115.15 122.14 1qha h HIS 129 Ca 0.16 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.37 1qha h HIS 129 Cb 0.09 0.11 -0.04 0.00 1.55 0.00 0.00 27.41 29.12 1qha h HIS 129 CO -0.01 -0.12 0.55 0.28 -1.30 0.00 0.00 177.93 177.32 1qha h VAL 130 N -0.00 1.21 0.00 5.26 2.07 -0.43 -2.00 116.25 122.36 1qha h VAL 130 Ca 0.13 -0.38 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 1qha h VAL 130 Cb 0.20 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1qha h VAL 130 CO -0.28 0.20 -0.37 0.00 0.02 0.00 0.00 177.57 177.14 1qha h ALA 131 N 1.30 0.91 -0.03 1.67 0.00 0.71 -1.32 119.26 122.51 1qha h ALA 131 Ca 0.30 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1qha h ALA 131 Cb -0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1qha h ALA 131 CO -0.07 0.46 -0.82 1.49 0.00 0.00 0.00 179.25 180.32 1qha h GLU 132 N 0.00 0.31 0.00 0.00 4.81 -0.25 -0.72 114.58 118.73 1qha h GLU 132 Ca -0.00 -0.30 -0.16 0.00 -0.13 0.00 0.00 59.36 58.77 1qha h GLU 132 Cb 0.99 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1qha h GLU 132 CO 0.05 0.97 -0.77 0.00 -0.73 0.00 0.00 179.01 178.54 1qha h LEU 134 N 0.00 0.76 0.00 0.00 5.85 -1.09 -1.03 115.31 119.81 1qha h LEU 134 Ca -0.01 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 1qha h LEU 134 Cb 1.38 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1qha h LEU 134 CO 0.10 1.00 -0.00 1.23 -0.34 0.00 0.00 178.44 180.43 1qha h GLY 135 N 0.96 -0.01 0.40 3.75 0.00 -0.69 -2.32 103.07 105.17 1qha h GLY 135 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.49 1qha h GLY 135 CO 0.07 -0.00 0.14 -1.80 0.00 0.00 0.00 176.54 174.95 1qha h ASP 136 N -0.33 0.08 0.08 0.19 1.82 -1.33 -0.14 116.42 116.80 1qha h ASP 136 Ca -0.00 0.08 0.02 0.00 -0.39 0.00 0.00 57.03 56.74 1qha h ASP 136 Cb 0.32 0.09 -0.05 0.00 0.68 0.00 0.00 39.33 40.38 1qha h ASP 136 CO 0.00 0.07 -0.39 0.15 -1.61 0.00 0.00 179.24 177.46 1qha h PHE 137 N 0.29 -1.09 -0.14 0.28 3.04 -0.92 -1.22 116.94 117.18 1qha h PHE 137 Ca 0.26 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 62.11 1qha h PHE 137 Cb 0.33 0.47 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 1qha h PHE 137 CO -0.20 -0.49 -0.48 0.52 -2.02 0.00 0.00 178.31 175.64 1qha h MET 138 N -0.60 0.37 0.27 1.11 0.00 -1.20 -3.14 114.93 111.74 1qha h MET 138 Ca 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 59.70 59.53 1qha h MET 138 Cb 0.65 0.01 -0.04 0.00 0.00 0.00 0.00 31.60 32.22 1qha h MET 138 CO -0.25 0.77 -0.49 1.49 0.00 0.00 0.00 176.91 178.43 1qha h GLU 139 N 0.29 -0.80 0.00 1.72 4.57 -0.72 0.33 114.58 119.97 1qha h GLU 139 Ca 0.02 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1qha h GLU 139 Cb 0.96 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 1qha h GLU 139 CO 0.08 -0.53 0.00 0.87 -1.18 0.00 0.00 179.01 178.25 1qha h LYS 140 N -0.83 0.00 -0.01 1.92 1.57 -1.22 -1.29 116.57 116.71 1qha h LYS 140 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1qha h LYS 140 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1qha h LYS 140 CO -0.19 0.00 -0.65 0.54 -0.57 0.00 0.00 179.45 178.58 1qha n ARG 141 N -2.80 1.23 -3.30 3.15 1.74 -1.15 -5.02 116.66 110.51 1qha n ARG 141 Ca -0.00 -0.41 -0.16 0.00 -0.77 0.00 0.00 57.85 56.51 1qha n ARG 141 Cb 0.20 -1.36 0.08 0.00 -1.02 0.00 0.00 32.46 30.36 1qha n ARG 141 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1qha n LYS 142 N -0.81 -4.45 0.00 5.56 4.01 0.88 -4.95 118.16 118.40 1qha n LYS 142 Ca 0.05 0.83 0.00 0.00 -0.51 0.00 0.00 58.31 58.69 1qha n LYS 142 Cb 0.34 -5.74 0.00 0.00 -0.51 0.00 0.00 35.03 29.12 1qha n LYS 142 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 1qha n ILE 143 N -3.63 0.71 -0.36 -0.18 -5.35 0.37 -4.73 119.36 106.19 1qha n ILE 143 Ca -0.18 -0.77 0.27 0.00 -0.27 0.00 0.00 62.75 61.80 1qha n ILE 143 Cb 0.64 0.67 0.53 0.00 -1.74 0.00 0.00 39.64 39.74 1qha n ILE 143 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1qha h LYS 144 N 0.00 0.25 -0.01 6.28 1.57 -1.93 -1.02 116.57 121.71 1qha h LYS 144 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1qha h LYS 144 Cb 0.50 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1qha h LYS 144 CO 0.00 0.16 -0.53 -0.40 -0.57 0.00 0.00 179.45 178.11 1qha n ASP 145 N -4.94 1.24 0.00 0.86 5.68 -1.26 -4.23 116.55 113.90 1qha n ASP 145 Ca 0.33 -1.12 0.07 0.00 -0.50 0.00 0.00 54.79 53.57 1qha n ASP 145 Cb 1.10 0.72 0.41 0.00 -1.14 0.00 0.00 41.12 42.21 1qha n ASP 145 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1qha n LYS 146 N -0.70 0.54 -2.72 0.11 5.02 -0.39 -4.91 118.16 115.11 1qha n LYS 146 Ca 0.05 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.24 1qha n LYS 146 Cb 0.30 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1qha n LYS 146 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1qha n LYS 147 N -0.91 -0.59 -3.46 1.97 2.85 -1.25 -4.94 118.16 111.84 1qha n LYS 147 Ca 0.10 0.32 -0.37 0.00 -1.05 0.00 0.00 58.31 57.31 1qha n LYS 147 Cb 0.05 -0.78 -0.06 0.00 -0.65 0.00 0.00 35.03 33.59 1qha n LYS 147 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1qha s LEU 148 N -2.56 4.34 0.44 -5.58 1.43 -1.26 -4.96 118.68 110.52 1qha s LEU 148 Ca 0.03 0.76 -0.25 0.00 -1.03 0.00 0.00 54.13 53.64 1qha s LEU 148 Cb -0.00 -2.54 -0.09 0.00 0.03 0.00 0.00 46.19 43.58 1qha s LEU 148 CO 0.32 0.15 1.34 -2.65 0.23 0.00 0.00 176.35 175.74 1qha n PRO 149 N 2.96 2.04 -4.44 1.29 -0.02 -1.26 -4.11 135.00 131.47 1qha n PRO 149 Ca -0.11 0.73 -0.34 0.00 -2.02 0.00 0.00 63.50 61.75 1qha n PRO 149 Cb 0.52 -2.49 -0.10 0.00 -0.02 0.00 0.00 33.50 31.41 1qha n PRO 149 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1qha s VAL 150 N -1.20 4.11 -0.09 -1.45 1.01 0.42 -2.66 120.40 120.53 1qha s VAL 150 Ca 0.62 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1qha s VAL 150 Cb -0.48 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 1qha s VAL 150 CO 0.57 0.59 -0.16 -0.83 0.00 0.00 0.00 175.10 175.27 1qha s GLY 151 N -0.69 1.48 -0.32 4.51 0.00 -0.36 -1.40 107.32 110.53 1qha s GLY 151 Ca 0.11 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.89 1qha s GLY 151 CO 0.02 -0.46 0.03 -0.12 0.00 0.00 0.00 173.10 172.57 1qha s PHE 152 N -0.08 3.50 -0.70 1.90 5.36 -0.58 0.58 117.98 127.96 1qha s PHE 152 Ca -0.03 -2.48 -0.26 0.00 -0.96 0.00 0.00 56.93 53.20 1qha s PHE 152 Cb -0.14 -2.55 0.04 0.00 -0.34 0.00 0.00 43.02 40.03 1qha s PHE 152 CO 0.04 -0.91 1.17 0.99 -1.46 0.00 0.00 175.22 175.05 1qha s THR 153 N 1.07 3.94 -0.37 0.12 2.01 0.58 -1.54 115.64 121.45 1qha s THR 153 Ca 0.02 0.19 -0.02 0.00 0.31 0.00 0.00 61.69 62.19 1qha s THR 153 Cb -0.20 -4.83 0.09 0.00 0.01 0.00 0.00 72.50 67.58 1qha s THR 153 CO -0.05 -1.69 0.14 0.12 -0.69 0.00 0.00 174.62 172.45 1qha s PHE 154 N 5.13 3.53 -1.38 4.92 5.36 -0.82 -0.85 117.98 133.87 1qha s PHE 154 Ca 0.31 -2.34 -0.11 0.00 -0.96 0.00 0.00 56.93 53.83 1qha s PHE 154 Cb -0.11 -2.91 0.10 0.00 -0.34 0.00 0.00 43.02 39.76 1qha s PHE 154 CO 0.14 -0.93 2.09 -1.13 -1.46 0.00 0.00 175.22 173.94 1qha n SER 155 N 4.56 4.73 -3.79 6.13 3.41 -0.97 -4.38 113.62 123.31 1qha n SER 155 Ca -0.04 -2.97 -0.12 0.00 -0.26 0.00 0.00 58.87 55.48 1qha n SER 155 Cb 0.42 -1.56 -0.08 0.00 -0.26 0.00 0.00 64.21 62.73 1qha n SER 155 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1qha s PHE 156 N 1.69 -0.10 0.07 7.33 0.08 -1.26 -4.92 117.98 120.87 1qha s PHE 156 Ca 0.44 0.05 -0.31 0.00 0.12 0.00 0.00 56.93 57.23 1qha s PHE 156 Cb 0.12 0.06 -0.08 0.00 -0.57 0.00 0.00 43.02 42.56 1qha s PHE 156 CO -0.04 -0.42 1.50 -1.25 -0.10 0.00 0.00 175.22 174.91 1qha s PRO 157 N -1.87 4.26 0.02 0.24 0.04 -1.26 -4.91 135.00 131.51 1qha s PRO 157 Ca -0.10 2.16 0.03 0.00 0.04 0.00 0.00 61.00 63.13 1qha s PRO 157 Cb -0.04 -3.44 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 1qha s PRO 157 CO 0.01 -0.59 -0.09 0.00 0.04 0.00 0.00 177.00 176.37 1qha s GLN 159 N -0.80 3.85 -0.05 0.00 2.00 0.12 -4.78 119.66 120.00 1qha s GLN 159 Ca -0.01 -0.14 0.07 0.00 -2.00 0.00 0.00 55.36 53.27 1qha s GLN 159 Cb -0.06 -3.71 -0.01 0.00 0.80 0.00 0.00 33.01 30.03 1qha s GLN 159 CO 0.00 -0.36 -0.25 -0.65 -0.50 0.00 0.00 175.29 173.53 1qha s GLN 160 N 2.04 2.39 0.00 1.67 -0.21 -1.26 -1.53 119.66 122.77 1qha s GLN 160 Ca 0.13 -0.90 0.11 0.00 0.02 0.00 0.00 55.36 54.72 1qha s GLN 160 Cb -0.16 -2.09 0.06 0.00 1.00 0.00 0.00 33.01 31.82 1qha s GLN 160 CO 0.11 0.42 0.79 -1.13 -2.12 0.00 0.00 175.29 173.36 1qha n SER 161 N 2.82 1.73 -3.61 5.90 3.41 -1.26 -4.86 113.62 117.76 1qha n SER 161 Ca -0.17 -1.37 -0.08 0.00 -0.26 0.00 0.00 58.87 57.00 1qha n SER 161 Cb 0.52 0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 1qha n SER 161 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1qha s LYS 162 N -1.01 1.16 0.63 4.33 -2.85 -1.26 -5.05 119.74 115.70 1qha s LYS 162 Ca 0.12 -0.54 0.41 0.00 -1.00 0.00 0.00 55.97 54.96 1qha s LYS 162 Cb 0.09 0.46 2.11 0.00 -2.06 0.00 0.00 37.83 38.43 1qha s LYS 162 CO 0.16 -0.52 2.26 0.97 0.10 0.00 0.00 175.35 178.32 1qha h ILE 163 N 2.00 0.00 -0.20 3.79 6.09 -1.89 -2.72 117.51 124.58 1qha h ILE 163 Ca -0.25 -0.16 -0.08 0.00 -1.37 0.00 0.00 64.86 63.00 1qha h ILE 163 Cb 1.25 1.16 -0.05 0.00 0.47 0.00 0.00 36.82 39.66 1qha h ILE 163 CO 0.30 0.00 -0.14 -0.90 -3.07 0.00 0.00 178.15 174.33 1qha n ASP 164 N -3.08 2.55 -4.21 2.19 5.75 -1.26 -1.25 116.55 117.23 1qha n ASP 164 Ca -0.02 -3.56 -0.24 0.00 -0.01 0.00 0.00 54.79 50.96 1qha n ASP 164 Cb 0.14 -0.56 -0.14 0.00 -1.03 0.00 0.00 41.12 39.53 1qha n ASP 164 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1qha s GLU 165 N -3.11 1.24 -0.30 0.11 2.12 -1.03 -4.89 118.70 112.84 1qha s GLU 165 Ca 0.41 -0.87 -0.02 0.00 0.36 0.00 0.00 54.97 54.85 1qha s GLU 165 Cb 0.37 -1.31 0.12 0.00 0.26 0.00 0.00 34.13 33.56 1qha s GLU 165 CO 0.00 0.33 0.20 0.00 -0.54 0.00 0.00 175.26 175.26 1qha s ALA 166 N -0.80 0.22 -0.28 6.30 0.00 -1.26 -4.67 121.76 121.28 1qha s ALA 166 Ca 0.06 -0.85 -0.19 0.00 0.00 0.00 0.00 51.96 50.97 1qha s ALA 166 Cb -0.08 -1.57 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 1qha s ALA 166 CO 0.02 -1.71 0.57 0.42 0.00 0.00 0.00 175.76 175.05 1qha s ILE 167 N 2.12 5.01 -0.14 0.00 1.01 -0.58 -1.17 121.20 127.46 1qha s ILE 167 Ca 0.10 0.89 -0.29 0.00 0.00 0.00 0.00 60.65 61.35 1qha s ILE 167 Cb -0.16 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.37 1qha s ILE 167 CO -0.33 -0.00 1.75 -0.22 0.00 0.00 0.00 174.94 176.14 1qha s LEU 168 N 2.43 4.04 -0.10 2.97 2.96 -0.55 0.10 118.68 130.54 1qha s LEU 168 Ca 0.23 1.98 -0.19 0.00 -0.22 0.00 0.00 54.13 55.93 1qha s LEU 168 Cb -0.15 -3.53 -0.16 0.00 0.50 0.00 0.00 46.19 42.85 1qha s LEU 168 CO 0.10 -1.22 0.63 0.40 -1.32 0.00 0.00 176.35 174.94 1qha h ILE 169 N 6.03 1.00 -2.09 6.68 2.04 -1.58 0.36 117.51 129.95 1qha h ILE 169 Ca -0.38 -1.55 -0.05 0.00 1.00 0.00 0.00 64.86 63.88 1qha h ILE 169 Cb 1.18 1.81 -0.21 0.00 -0.74 0.00 0.00 36.82 38.86 1qha h ILE 169 CO 0.97 0.31 0.09 0.28 0.00 0.00 0.00 178.15 179.80 1qha s THR 170 N -2.53 0.00 0.81 -0.27 -1.32 -1.25 -4.66 115.64 106.42 1qha s THR 170 Ca -0.12 -0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.24 1qha s THR 170 Cb -0.01 -0.95 0.09 0.00 -1.51 0.00 0.00 72.50 70.12 1qha s THR 170 CO 0.44 -0.00 1.16 0.26 -2.21 0.00 0.00 174.62 174.27 1qha s TRP 171 N 0.35 1.98 0.33 9.09 0.52 -1.26 -4.41 118.94 125.55 1qha s TRP 171 Ca -0.00 1.68 0.01 0.00 0.02 0.00 0.00 56.10 57.81 1qha s TRP 171 Cb -0.05 -3.33 -0.01 0.00 -1.15 0.00 0.00 33.47 28.93 1qha s TRP 171 CO 0.01 -2.51 0.38 0.95 0.02 0.00 0.00 176.95 175.80 1qha s THR 172 N -2.45 0.00 0.00 2.01 -4.23 -1.26 -5.03 115.64 104.67 1qha s THR 172 Ca 0.68 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 1qha s THR 172 Cb -0.24 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.02 1qha s THR 172 CO 0.53 0.00 0.00 0.29 -0.54 0.00 0.00 174.62 174.90 1qha n LYS 173 N -0.58 0.00 0.01 3.99 5.02 -1.26 -3.19 118.16 122.16 1qha n LYS 173 Ca 0.04 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.35 1qha n LYS 173 Cb 0.62 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.52 1qha n LYS 173 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qha n ARG 174 N 14.00 0.64 -2.74 1.97 1.74 -1.26 -4.84 116.66 126.17 1qha n ARG 174 Ca 0.00 0.06 -0.38 0.00 -0.77 0.00 0.00 57.85 56.76 1qha n ARG 174 Cb 0.00 -1.68 -0.06 0.00 -1.02 0.00 0.00 32.46 29.70 1qha n ARG 174 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1qha s PHE 175 N -3.07 3.71 -0.46 -1.55 0.40 -1.19 -4.75 117.98 111.07 1qha s PHE 175 Ca -0.05 1.80 0.07 0.00 -0.60 0.00 0.00 56.93 58.14 1qha s PHE 175 Cb 0.10 -2.97 0.27 0.00 0.51 0.00 0.00 43.02 40.92 1qha s PHE 175 CO 0.84 0.15 0.86 1.17 0.70 0.00 0.00 175.22 178.93 1qha n LYS 176 N 0.74 0.83 -3.72 0.44 4.81 0.70 -4.37 118.16 117.58 1qha n LYS 176 Ca 0.01 -2.15 -0.36 0.00 -0.87 0.00 0.00 58.31 54.94 1qha n LYS 176 Cb 0.49 -1.35 -0.07 0.00 0.02 0.00 0.00 35.03 34.12 1qha n LYS 176 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1qha s ALA 177 N 0.06 3.73 0.55 3.14 0.00 -1.23 -4.24 121.76 123.77 1qha s ALA 177 Ca 0.31 -0.59 -0.19 0.00 0.00 0.00 0.00 51.96 51.49 1qha s ALA 177 Cb 0.24 -2.17 -0.06 0.00 0.00 0.00 0.00 23.12 21.14 1qha s ALA 177 CO -0.17 0.33 1.14 -1.12 0.00 0.00 0.00 175.76 175.94 1qha s SER 178 N -0.21 5.65 0.00 0.00 0.01 -0.72 -3.91 113.70 114.52 1qha s SER 178 Ca 0.13 2.22 0.00 0.00 1.31 0.00 0.00 55.95 59.61 1qha s SER 178 Cb -0.12 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1qha s SER 178 CO 0.03 -1.27 0.00 0.61 0.41 0.00 0.00 173.24 173.02 1qha n GLY 179 N 0.23 0.58 0.45 3.44 0.00 -1.26 0.17 105.19 108.79 1qha n GLY 179 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 1qha n GLY 179 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qha n VAL 180 N -2.84 0.74 -1.68 1.61 0.31 -1.25 -4.80 118.33 110.42 1qha n VAL 180 Ca 0.00 -0.21 -0.49 0.00 -0.01 0.00 0.00 64.34 63.63 1qha n VAL 180 Cb 0.00 -1.50 -0.05 0.00 -0.91 0.00 0.00 33.84 31.38 1qha n VAL 180 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1qha n GLU 181 N -3.42 2.07 0.00 5.55 1.02 -1.26 -0.66 120.64 123.94 1qha n GLU 181 Ca -0.26 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 1qha n GLU 181 Cb 0.70 -2.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.55 1qha n GLU 181 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qha n GLY 182 N 4.15 0.68 3.80 0.62 0.00 0.12 -5.01 105.19 109.54 1qha n GLY 182 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 1qha n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qha s ALA 183 N -2.19 3.63 -0.41 4.61 0.00 0.16 -4.83 121.76 122.73 1qha s ALA 183 Ca 0.00 -1.61 -0.23 0.00 0.00 0.00 0.00 51.96 50.12 1qha s ALA 183 Cb 0.00 -1.10 0.02 0.00 0.00 0.00 0.00 23.12 22.04 1qha s ALA 183 CO 0.00 0.11 0.77 0.34 0.00 0.00 0.00 175.76 176.98 1qha s ASP 184 N -3.89 6.46 0.07 0.00 2.15 -1.26 -1.48 116.67 118.72 1qha s ASP 184 Ca 0.37 0.07 0.23 0.00 0.43 0.00 0.00 52.55 53.64 1qha s ASP 184 Cb -0.06 -2.38 0.92 0.00 -0.30 0.00 0.00 42.92 41.10 1qha s ASP 184 CO 0.25 -0.82 1.71 0.55 -0.17 0.00 0.00 175.17 176.69 1qha n VAL 185 N 5.97 0.56 0.17 1.11 3.14 -0.32 -2.23 118.33 126.73 1qha n VAL 185 Ca 0.02 0.08 0.03 0.00 -2.96 0.00 0.00 64.34 61.51 1qha n VAL 185 Cb 0.48 -0.78 0.29 0.00 -1.06 0.00 0.00 33.84 32.76 1qha n VAL 185 CO 0.00 0.00 0.00 1.62 -6.46 0.00 0.00 176.83 171.99 1qha h VAL 186 N 0.00 1.15 0.04 1.55 3.04 -1.92 0.13 116.25 120.24 1qha h VAL 186 Ca 0.00 -1.70 -0.23 0.00 -1.01 0.00 0.00 66.70 63.77 1qha h VAL 186 Cb 0.43 1.96 -0.02 0.00 -2.01 0.00 0.00 31.29 31.65 1qha h VAL 186 CO 0.00 0.45 -1.06 0.11 -1.01 0.00 0.00 177.57 176.06 1qha h LYS 187 N 0.00 0.09 -0.10 4.17 1.57 -1.83 -0.97 116.57 119.50 1qha h LYS 187 Ca -0.00 -0.15 -0.12 0.00 -1.87 0.00 0.00 60.65 58.51 1qha h LYS 187 Cb 0.92 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1qha h LYS 187 CO 0.06 1.06 -0.46 -0.07 -0.57 0.00 0.00 179.45 179.47 1qha h LEU 188 N 0.03 0.27 0.29 2.94 3.38 -1.07 -0.64 115.31 120.50 1qha h LEU 188 Ca -0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1qha h LEU 188 Cb 1.81 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1qha h LEU 188 CO 0.15 0.70 -0.14 0.25 0.09 0.00 0.00 178.44 179.49 1qha h LEU 189 N 0.21 -0.33 -1.00 1.67 6.46 -0.66 -2.41 115.31 119.25 1qha h LEU 189 Ca 0.01 -0.02 0.32 0.00 -0.12 0.00 0.00 57.88 58.07 1qha h LEU 189 Cb 0.90 0.09 -0.18 0.00 -0.73 0.00 0.00 40.66 40.73 1qha h LEU 189 CO 0.07 0.13 0.18 0.78 -0.62 0.00 0.00 178.44 178.98 1qha h ASN 190 N -1.09 -0.25 -0.57 1.25 2.35 -1.26 0.41 115.58 116.42 1qha h ASN 190 Ca -0.04 0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.98 1qha h ASN 190 Cb 0.33 0.43 -0.03 0.00 0.05 0.00 0.00 38.32 39.10 1qha h ASN 190 CO 0.07 -0.38 0.32 0.50 -1.65 0.00 0.00 177.43 176.28 1qha h LYS 191 N 0.01 0.79 -0.52 0.81 3.64 -1.04 0.12 116.57 120.38 1qha h LYS 191 Ca 0.68 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.89 1qha h LYS 191 Cb 1.54 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 33.18 1qha h LYS 191 CO -0.88 0.61 0.03 0.00 -2.27 0.00 0.00 179.45 176.93 1qha h ALA 192 N 1.15 0.70 -0.19 5.00 0.00 0.23 0.13 119.26 126.28 1qha h ALA 192 Ca 0.20 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1qha h ALA 192 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1qha h ALA 192 CO -0.03 0.49 -0.09 0.82 0.00 0.00 0.00 179.25 180.43 1qha h ILE 193 N 0.77 1.31 -0.64 0.00 2.04 -0.84 -2.34 117.51 117.80 1qha h ILE 193 Ca 0.15 -1.14 0.08 0.00 1.00 0.00 0.00 64.86 64.95 1qha h ILE 193 Cb 0.48 1.65 -0.07 0.00 -0.74 0.00 0.00 36.82 38.15 1qha h ILE 193 CO 0.02 0.34 0.30 0.50 0.00 0.00 0.00 178.15 179.32 1qha h LYS 194 N 0.09 0.52 -0.39 2.37 3.11 -0.60 0.15 116.57 121.83 1qha h LYS 194 Ca 0.04 -0.03 0.06 0.00 -2.81 0.00 0.00 60.65 57.91 1qha h LYS 194 Cb 0.57 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.66 1qha h LYS 194 CO 0.03 0.35 0.26 -0.22 -2.81 0.00 0.00 179.45 177.06 1qha h LYS 195 N 0.54 0.26 -4.60 1.90 3.64 -0.25 -3.28 116.57 114.77 1qha h LYS 195 Ca 0.31 -0.02 -0.71 0.00 -1.27 0.00 0.00 60.65 58.97 1qha h LYS 195 Cb 0.31 -0.06 -0.25 0.00 -0.41 0.00 0.00 32.23 31.82 1qha h LYS 195 CO -0.25 0.17 -0.53 -0.98 -2.27 0.00 0.00 179.45 175.59 1qha s ARG 196 N -5.27 2.78 0.00 1.90 1.70 0.54 -4.95 118.95 115.65 1qha s ARG 196 Ca -0.07 -1.11 0.03 0.00 -0.47 0.00 0.00 55.73 54.12 1qha s ARG 196 Cb 0.18 -3.69 0.18 0.00 -0.57 0.00 0.00 34.95 31.05 1qha s ARG 196 CO 0.72 -0.70 0.86 0.41 -1.08 0.00 0.00 175.30 175.50 1qha n GLY 197 N 4.97 -0.31 0.31 3.88 0.00 -1.24 -4.23 105.19 108.56 1qha n GLY 197 Ca -0.12 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 45.99 1qha n GLY 197 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qha h ASP 198 N 0.00 -0.31 -5.25 1.61 5.19 -1.90 -3.45 116.42 112.31 1qha h ASP 198 Ca 0.00 0.23 -0.12 0.00 -0.62 0.00 0.00 57.03 56.52 1qha h ASP 198 Cb 0.02 0.38 -0.05 0.00 0.18 0.00 0.00 39.33 39.86 1qha h ASP 198 CO 0.00 -0.24 0.01 -0.72 -3.12 0.00 0.00 179.24 175.17 1qha s TYR 199 N -6.03 0.52 0.13 4.55 1.13 -1.26 -5.11 117.35 111.28 1qha s TYR 199 Ca -0.13 -0.94 0.11 0.00 -1.41 0.00 0.00 57.07 54.69 1qha s TYR 199 Cb 0.26 0.34 -0.04 0.00 -1.10 0.00 0.00 41.96 41.42 1qha s TYR 199 CO 0.77 -1.26 -0.26 0.34 -2.51 0.00 0.00 175.55 172.63 1qha s ASP 200 N -3.12 3.21 -0.09 -0.18 2.15 -1.26 -4.87 116.67 112.52 1qha s ASP 200 Ca 0.22 -0.75 0.01 0.00 0.43 0.00 0.00 52.55 52.46 1qha s ASP 200 Cb -0.02 -0.21 0.02 0.00 -0.30 0.00 0.00 42.92 42.41 1qha s ASP 200 CO 0.14 0.16 -0.09 0.00 -0.17 0.00 0.00 175.17 175.21 1qha s ALA 201 N -1.13 1.26 -0.96 3.66 0.00 -1.26 -4.91 121.76 118.41 1qha s ALA 201 Ca 0.13 -0.47 -0.19 0.00 0.00 0.00 0.00 51.96 51.44 1qha s ALA 201 Cb -0.10 -0.76 0.12 0.00 0.00 0.00 0.00 23.12 22.38 1qha s ALA 201 CO 0.06 -0.21 1.20 1.21 0.00 0.00 0.00 175.76 178.02 1qha s ASN 202 N 1.30 6.63 -0.65 0.00 2.47 -1.26 -4.97 114.94 118.46 1qha s ASN 202 Ca -0.03 -1.99 -0.26 0.00 0.42 0.00 0.00 52.86 51.00 1qha s ASN 202 Cb -0.14 -2.43 -0.03 0.00 -1.45 0.00 0.00 41.25 37.21 1qha s ASN 202 CO -0.04 -1.13 1.89 -0.63 -3.72 0.00 0.00 177.10 173.48 1qha s ILE 203 N 3.04 3.36 -2.13 -5.21 1.01 -1.26 0.16 121.20 120.17 1qha s ILE 203 Ca 0.36 0.11 0.19 0.00 0.00 0.00 0.00 60.65 61.31 1qha s ILE 203 Cb -0.04 -3.93 0.10 0.00 0.01 0.00 0.00 42.46 38.60 1qha s ILE 203 CO -0.09 -0.89 1.04 1.33 0.00 0.00 0.00 174.94 176.33 1qha n VAL 204 N 7.33 0.00 -3.61 2.92 0.24 -0.50 -4.88 118.33 119.84 1qha n VAL 204 Ca 0.24 -0.44 -0.16 0.00 -2.04 0.00 0.00 64.34 61.94 1qha n VAL 204 Cb 0.51 1.33 -0.07 0.00 -1.47 0.00 0.00 33.84 34.15 1qha n VAL 204 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qha s ALA 205 N -1.75 -1.61 0.01 2.33 0.00 -1.23 -4.22 121.76 115.29 1qha s ALA 205 Ca 0.20 1.50 0.07 0.00 0.00 0.00 0.00 51.96 53.73 1qha s ALA 205 Cb 0.15 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1qha s ALA 205 CO 0.31 -0.33 -0.23 0.08 0.00 0.00 0.00 175.76 175.59 1qha s VAL 206 N -0.44 1.80 -0.01 0.00 1.01 -0.38 -1.53 120.40 120.85 1qha s VAL 206 Ca -0.06 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 60.79 1qha s VAL 206 Cb -0.03 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.84 1qha s VAL 206 CO 0.05 0.40 0.10 0.54 0.00 0.00 0.00 175.10 176.18 1qha s VAL 207 N -0.64 0.05 0.71 2.92 0.11 -0.59 -4.89 120.40 118.07 1qha s VAL 207 Ca 0.09 -0.44 -0.11 0.00 -2.93 0.00 0.00 61.98 58.59 1qha s VAL 207 Cb -0.09 -0.29 0.02 0.00 -1.53 0.00 0.00 36.38 34.49 1qha s VAL 207 CO 0.00 -0.24 1.07 0.21 -3.33 0.00 0.00 175.10 172.81 1qha s ASN 208 N -0.79 5.25 0.42 3.54 3.84 -1.26 -1.95 114.94 123.98 1qha s ASN 208 Ca -0.09 1.49 0.16 0.00 0.21 0.00 0.00 52.86 54.64 1qha s ASN 208 Cb -0.05 -2.35 0.91 0.00 -0.55 0.00 0.00 41.25 39.21 1qha s ASN 208 CO 0.01 -1.51 1.90 -2.24 -2.79 0.00 0.00 177.10 172.46 1qha h ASP 209 N -0.77 0.00 -0.31 -4.21 3.04 -1.92 -2.87 116.42 109.38 1qha h ASP 209 Ca -0.45 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.32 1qha h ASP 209 Cb 1.22 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.50 1qha h ASP 209 CO 0.58 0.28 0.11 0.71 -2.04 0.00 0.00 179.24 178.89 1qha h THR 210 N 0.00 1.19 -0.46 1.15 1.35 -1.93 -2.31 112.91 111.91 1qha h THR 210 Ca -0.00 -0.60 -0.03 0.00 -0.55 0.00 0.00 66.41 65.23 1qha h THR 210 Cb 0.55 1.00 -0.02 0.00 -1.73 0.00 0.00 68.15 67.94 1qha h THR 210 CO 0.04 0.20 0.17 0.58 -0.25 0.00 0.00 175.52 176.26 1qha h VAL 211 N 0.35 1.21 -0.63 6.82 2.07 -1.84 -0.55 116.25 123.68 1qha h VAL 211 Ca 0.10 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1qha h VAL 211 Cb 0.21 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1qha h VAL 211 CO -0.01 0.25 0.34 1.23 0.02 0.00 0.00 177.57 179.41 1qha h GLY 212 N 0.60 0.95 0.31 2.17 0.00 -1.59 0.60 103.07 106.11 1qha h GLY 212 Ca 0.15 -0.43 0.06 0.00 0.00 0.00 0.00 47.33 47.11 1qha h GLY 212 CO -0.01 0.42 -0.15 -0.84 0.00 0.00 0.00 176.54 175.96 1qha h THR 213 N 0.86 0.56 -0.84 4.70 2.02 -1.23 0.93 112.91 119.92 1qha h THR 213 Ca 0.22 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.38 1qha h THR 213 Cb 0.05 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 66.99 1qha h THR 213 CO -0.03 0.00 0.42 -0.03 0.37 0.00 0.00 175.52 176.25 1qha h MET 214 N -0.13 1.20 -0.09 6.66 -1.53 -0.61 0.39 114.93 120.82 1qha h MET 214 Ca 0.14 -0.16 -0.14 0.00 -3.44 0.00 0.00 59.70 56.10 1qha h MET 214 Cb 0.33 -0.22 -0.01 0.00 -0.55 0.00 0.00 31.60 31.15 1qha h MET 214 CO -0.33 0.90 -0.56 0.52 0.14 0.00 0.00 176.91 177.58 1qha h MET 215 N 1.19 0.26 0.30 0.39 2.86 0.28 0.28 114.93 120.49 1qha h MET 215 Ca 0.29 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1qha h MET 215 Cb 0.08 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1qha h MET 215 CO -0.04 0.75 -0.14 1.15 1.06 0.00 0.00 176.91 179.69 1qha h THR 216 N 0.20 0.72 0.00 2.22 2.02 0.11 -1.59 112.91 116.60 1qha h THR 216 Ca -0.00 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1qha h THR 216 Cb 1.05 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1qha h THR 216 CO 0.09 0.11 -0.07 0.00 0.37 0.00 0.00 175.52 176.02 1qha h GLY 218 N 0.31 0.00 1.87 0.00 0.00 -0.47 -1.10 103.07 103.69 1qha h GLY 218 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1qha h GLY 218 CO 0.01 0.00 -0.10 -1.82 0.00 0.00 0.00 176.54 174.63 1qha h TYR 219 N 0.00 0.16 0.00 5.60 5.03 -0.93 -3.11 116.97 123.72 1qha h TYR 219 Ca 0.00 -0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.25 1qha h TYR 219 Cb 0.86 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 39.08 1qha h TYR 219 CO 0.00 0.27 -1.81 -0.25 -1.32 0.00 0.00 178.16 175.05 1qha n ASP 220 N -4.33 1.20 -3.72 -2.11 8.00 -0.99 -4.89 116.55 109.71 1qha n ASP 220 Ca -0.01 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.20 1qha n ASP 220 Cb 0.22 1.62 -0.16 0.00 -0.02 0.00 0.00 41.12 42.79 1qha n ASP 220 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1qha s ASP 221 N -4.07 3.43 0.00 -2.24 -1.08 -0.45 -5.02 116.67 107.24 1qha s ASP 221 Ca -0.06 -1.19 0.00 0.00 -0.52 0.00 0.00 52.55 50.78 1qha s ASP 221 Cb 0.10 -0.68 0.00 0.00 -1.46 0.00 0.00 42.92 40.88 1qha s ASP 221 CO 0.68 -0.36 0.90 0.00 0.52 0.00 0.00 175.17 176.91 1qha n GLN 222 N 4.99 0.00 -0.55 4.34 1.13 -1.26 -0.85 117.38 125.18 1qha n GLN 222 Ca -0.06 0.39 0.08 0.00 -1.94 0.00 0.00 57.00 55.47 1qha n GLN 222 Cb 0.45 -1.50 0.30 0.00 0.11 0.00 0.00 30.24 29.59 1qha n GLN 222 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1qha n HIS 223 N -1.39 1.24 -2.25 1.08 -0.00 -1.26 -4.95 115.22 107.68 1qha n HIS 223 Ca 0.00 -0.79 -0.43 0.00 -0.00 0.00 0.00 57.72 56.50 1qha n HIS 223 Cb 0.00 -0.34 -0.02 0.00 -0.00 0.00 0.00 29.99 29.63 1qha n HIS 223 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1qha n GLU 225 N 6.79 0.00 -4.36 0.00 1.02 -1.01 -4.87 120.64 118.21 1qha n GLU 225 Ca 0.15 -0.41 -0.20 0.00 -0.02 0.00 0.00 57.16 56.68 1qha n GLU 225 Cb 0.44 -0.73 -0.13 0.00 -0.02 0.00 0.00 31.44 31.00 1qha n GLU 225 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1qha s VAL 226 N -0.11 1.17 -0.05 2.62 1.01 -1.24 -1.66 120.40 122.13 1qha s VAL 226 Ca 0.00 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 60.96 1qha s VAL 226 Cb 0.00 -1.06 0.01 0.00 0.00 0.00 0.00 36.38 35.33 1qha s VAL 226 CO 0.00 0.01 -0.13 -0.83 0.00 0.00 0.00 175.10 174.15 1qha s GLY 227 N -1.19 0.77 -0.03 4.51 0.00 -0.96 -1.74 107.32 108.68 1qha s GLY 227 Ca 0.02 -0.46 0.01 0.00 0.00 0.00 0.00 44.72 44.29 1qha s GLY 227 CO 0.01 -0.03 -0.03 -2.27 0.00 0.00 0.00 173.10 170.78 1qha s LEU 228 N 0.42 1.42 -0.13 0.66 2.96 -0.20 -0.77 118.68 123.04 1qha s LEU 228 Ca -0.10 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 1qha s LEU 228 Cb -0.13 -0.34 0.01 0.00 0.50 0.00 0.00 46.19 46.22 1qha s LEU 228 CO 0.03 -0.04 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.17 1qha s ILE 229 N 0.73 2.15 -0.54 6.68 -1.09 0.15 -2.40 121.20 126.87 1qha s ILE 229 Ca -0.09 -0.96 0.06 0.00 -2.23 0.00 0.00 60.65 57.43 1qha s ILE 229 Cb -0.12 -1.86 0.20 0.00 -1.58 0.00 0.00 42.46 39.11 1qha s ILE 229 CO -0.00 0.55 0.51 -0.38 -1.23 0.00 0.00 174.94 174.38 1qha n ILE 230 N 3.93 0.50 0.00 2.92 5.41 -0.51 -2.20 119.36 129.41 1qha n ILE 230 Ca -0.20 -4.36 0.00 0.00 1.00 0.00 0.00 62.75 59.20 1qha n ILE 230 Cb 0.52 -1.97 0.00 0.00 -0.71 0.00 0.00 39.64 37.48 1qha n ILE 230 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1qha n GLY 231 N 1.86 4.03 0.13 7.39 0.00 -1.26 -2.21 105.19 115.13 1qha n GLY 231 Ca 0.25 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 1qha n GLY 231 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1qha h THR 232 N 0.00 0.94 -5.07 2.61 2.02 -1.94 0.31 112.91 111.77 1qha h THR 232 Ca 0.00 -0.07 -0.45 0.00 0.77 0.00 0.00 66.41 66.66 1qha h THR 232 Cb 0.00 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 67.05 1qha h THR 232 CO 0.00 0.04 -0.27 0.61 0.37 0.00 0.00 175.52 176.27 1qha n GLY 233 N -1.19 3.27 3.16 2.16 0.00 -1.26 -3.33 105.19 108.00 1qha n GLY 233 Ca -0.01 -2.30 -0.22 0.00 0.00 0.00 0.00 46.02 43.49 1qha n GLY 233 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1qha s THR 234 N -2.15 1.25 0.27 2.61 -1.32 -1.26 -4.30 115.64 110.74 1qha s THR 234 Ca 0.11 -0.89 -0.20 0.00 -1.21 0.00 0.00 61.69 59.51 1qha s THR 234 Cb -0.01 -1.09 0.06 0.00 -1.51 0.00 0.00 72.50 69.96 1qha s THR 234 CO 0.07 0.18 0.90 0.21 -2.21 0.00 0.00 174.62 173.78 1qha s ASN 235 N -0.82 -0.03 0.04 8.08 3.04 -0.93 -4.02 114.94 120.30 1qha s ASN 235 Ca 0.04 -0.84 -0.16 0.00 0.04 0.00 0.00 52.86 51.94 1qha s ASN 235 Cb -0.07 0.66 0.03 0.00 -1.54 0.00 0.00 41.25 40.33 1qha s ASN 235 CO 0.01 -1.30 0.37 0.00 -3.04 0.00 0.00 177.10 173.13 1qha s ALA 236 N -2.47 -0.89 0.10 1.71 0.00 -1.26 -0.67 121.76 118.28 1qha s ALA 236 Ca 0.17 0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.38 1qha s ALA 236 Cb -0.04 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 1qha s ALA 236 CO 0.08 -0.43 -0.08 0.00 0.00 0.00 0.00 175.76 175.33 1qha s TYR 238 N -3.01 -0.37 -0.29 0.00 1.13 -0.95 -2.27 117.35 111.58 1qha s TYR 238 Ca 0.09 0.47 -0.29 0.00 -1.41 0.00 0.00 57.07 55.93 1qha s TYR 238 Cb 0.01 0.27 -0.00 0.00 -1.10 0.00 0.00 41.96 41.14 1qha s TYR 238 CO -0.02 -0.57 1.32 -1.64 -2.51 0.00 0.00 175.55 172.13 1qha s MET 239 N -2.07 3.91 0.15 -3.49 -1.94 -0.66 -0.65 119.30 114.54 1qha s MET 239 Ca -0.08 1.28 0.07 0.00 -1.71 0.00 0.00 55.69 55.26 1qha s MET 239 Cb -0.01 -3.89 -0.04 0.00 2.01 0.00 0.00 34.83 32.90 1qha s MET 239 CO 0.01 -1.13 -0.05 -2.00 -0.01 0.00 0.00 175.02 171.84 1qha s GLU 240 N 4.19 2.25 0.22 2.03 2.56 0.98 -4.90 118.70 126.03 1qha s GLU 240 Ca 0.57 -1.10 -0.30 0.00 0.00 0.00 0.00 54.97 54.14 1qha s GLU 240 Cb -0.17 -2.31 -0.10 0.00 2.00 0.00 0.00 34.13 33.55 1qha s GLU 240 CO 0.23 0.47 1.45 -1.21 -0.56 0.00 0.00 175.26 175.64 1qha s GLU 241 N -2.63 4.27 0.28 4.30 0.41 -1.26 -0.80 118.70 123.27 1qha s GLU 241 Ca 0.25 2.27 0.01 0.00 -0.41 0.00 0.00 54.97 57.09 1qha s GLU 241 Cb -0.10 -3.13 0.55 0.00 -1.78 0.00 0.00 34.13 29.67 1qha s GLU 241 CO 0.16 -0.44 1.81 -0.07 -0.49 0.00 0.00 175.26 176.24 1qha h LEU 242 N 5.49 0.82 0.00 1.80 -0.00 -0.49 0.55 115.31 123.48 1qha h LEU 242 Ca -0.45 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.49 1qha h LEU 242 Cb 1.21 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.78 1qha h LEU 242 CO 0.81 0.41 0.00 -2.11 -0.00 0.00 0.00 178.44 177.54 1qha n ARG 243 N -4.69 0.54 0.00 1.13 1.85 -1.26 -1.29 116.66 112.94 1qha n ARG 243 Ca 0.18 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 57.10 1qha n ARG 243 Cb 0.38 -1.46 -0.02 0.00 -1.05 0.00 0.00 32.46 30.31 1qha n ARG 243 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1qha n HIS 244 N -0.96 0.00 -3.28 2.89 8.25 0.18 -4.84 115.22 117.46 1qha n HIS 244 Ca 0.12 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 57.11 1qha n HIS 244 Cb 0.06 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 1qha n HIS 244 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1qha s ILE 245 N -1.86 5.49 0.39 1.59 1.01 -0.41 -4.79 121.20 122.62 1qha s ILE 245 Ca 0.11 -2.31 0.10 0.00 0.00 0.00 0.00 60.65 58.54 1qha s ILE 245 Cb 0.11 -4.50 0.31 0.00 0.01 0.00 0.00 42.46 38.39 1qha s ILE 245 CO 0.40 -1.08 1.96 0.44 0.00 0.00 0.00 174.94 176.66 1qha h ASP 246 N 7.96 0.52 0.00 3.58 3.32 -1.73 -2.39 116.42 127.68 1qha h ASP 246 Ca 0.09 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1qha h ASP 246 Cb 1.04 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1qha h ASP 246 CO 0.81 0.32 0.00 0.18 -1.72 0.00 0.00 179.24 178.83 1qha n LEU 247 N -4.48 0.00 -4.22 1.55 4.77 -1.26 -4.66 117.00 108.69 1qha n LEU 247 Ca 0.11 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.81 1qha n LEU 247 Cb 0.32 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.25 1qha n LEU 247 CO 0.33 0.00 -0.53 -0.69 -1.33 0.00 0.00 177.39 175.17 1qha s VAL 248 N -2.00 1.68 -0.39 4.08 1.01 -0.90 -5.09 120.40 118.78 1qha s VAL 248 Ca 0.28 -0.90 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 1qha s VAL 248 Cb 0.13 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 35.13 1qha s VAL 248 CO 0.21 0.48 1.05 -1.61 0.00 0.00 0.00 175.10 175.23 1qha s GLU 249 N -0.40 3.87 0.00 2.72 2.02 -1.26 -4.88 118.70 120.77 1qha s GLU 249 Ca 0.06 0.73 0.00 0.00 0.02 0.00 0.00 54.97 55.78 1qha s GLU 249 Cb -0.09 -3.82 0.00 0.00 0.10 0.00 0.00 34.13 30.32 1qha s GLU 249 CO -0.00 -1.09 0.00 0.41 0.02 0.00 0.00 175.26 174.60 1qha n GLY 250 N 4.38 2.68 0.20 -1.39 0.00 -1.26 -5.00 105.19 104.81 1qha n GLY 250 Ca 0.11 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1qha n GLY 250 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qha n ASP 251 N 0.00 0.00 -4.78 1.61 5.75 -1.26 -4.27 116.55 113.60 1qha n ASP 251 Ca 0.00 -1.26 -0.36 0.00 -0.01 0.00 0.00 54.79 53.16 1qha n ASP 251 Cb 0.00 -0.05 -0.07 0.00 -1.03 0.00 0.00 41.12 39.96 1qha n ASP 251 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1qha s GLU 252 N 0.00 3.67 3.42 0.11 -1.05 -1.26 -4.29 118.70 119.30 1qha s GLU 252 Ca 0.00 -0.22 0.00 0.00 -0.15 0.00 0.00 54.97 54.60 1qha s GLU 252 Cb 0.00 -3.21 0.00 0.00 -0.44 0.00 0.00 34.13 30.48 1qha s GLU 252 CO 0.00 0.57 0.00 0.41 0.95 0.00 0.00 175.26 177.19 1qha n GLY 253 N 2.64 0.70 3.29 -3.83 0.00 -1.26 -4.53 105.19 102.20 1qha n GLY 253 Ca -0.18 -0.78 -0.16 0.00 0.00 0.00 0.00 46.02 44.90 1qha n GLY 253 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qha s ARG 254 N 0.00 1.17 0.01 1.61 0.52 -1.26 0.19 118.95 121.19 1qha s ARG 254 Ca 0.00 -1.52 -0.06 0.00 -0.52 0.00 0.00 55.73 53.63 1qha s ARG 254 Cb 0.00 -0.73 -0.00 0.00 0.52 0.00 0.00 34.95 34.74 1qha s ARG 254 CO 0.00 0.06 0.10 1.41 0.02 0.00 0.00 175.30 176.90 1qha s MET 255 N -3.75 0.45 0.29 3.54 -2.45 0.02 -4.60 119.30 112.80 1qha s MET 255 Ca 0.20 -0.44 -0.29 0.00 -1.25 0.00 0.00 55.69 53.91 1qha s MET 255 Cb 0.03 0.18 -0.09 0.00 1.25 0.00 0.00 34.83 36.19 1qha s MET 255 CO 0.03 -0.10 1.09 0.00 1.05 0.00 0.00 175.02 177.09 1qha s ILE 257 N -1.20 2.38 -0.51 0.00 -1.09 0.17 -2.63 121.20 118.32 1qha s ILE 257 Ca 0.45 -0.96 -0.21 0.00 -2.23 0.00 0.00 60.65 57.71 1qha s ILE 257 Cb -0.31 -1.89 0.05 0.00 -1.58 0.00 0.00 42.46 38.73 1qha s ILE 257 CO 0.40 0.57 0.72 0.21 -1.23 0.00 0.00 174.94 175.61 1qha s ASN 258 N -0.32 6.27 0.23 3.58 2.47 0.36 -2.25 114.94 125.27 1qha s ASN 258 Ca 0.02 -0.70 -0.07 0.00 0.42 0.00 0.00 52.86 52.52 1qha s ASN 258 Cb -0.13 -2.34 0.22 0.00 -1.45 0.00 0.00 41.25 37.55 1qha s ASN 258 CO 0.02 -0.98 1.89 0.71 -3.72 0.00 0.00 177.10 175.01 1qha h THR 259 N 5.91 1.25 -5.50 -5.21 1.35 -1.62 -2.05 112.91 107.04 1qha h THR 259 Ca -0.27 -0.53 -0.33 0.00 -0.55 0.00 0.00 66.41 64.73 1qha h THR 259 Cb 1.09 -0.04 0.15 0.00 -1.73 0.00 0.00 68.15 67.62 1qha h THR 259 CO 1.00 0.26 -0.70 -0.62 -0.25 0.00 0.00 175.52 175.20 1qha n GLU 260 N -4.39 -6.67 0.17 4.72 -0.58 -1.26 -2.64 120.64 109.99 1qha n GLU 260 Ca 0.10 0.80 0.13 0.00 -0.42 0.00 0.00 57.16 57.77 1qha n GLU 260 Cb 0.05 -5.70 0.61 0.00 -0.57 0.00 0.00 31.44 25.83 1qha n GLU 260 CO 0.00 0.00 0.00 0.11 -0.48 0.00 0.00 177.13 176.76 1qha h TRP 261 N -2.03 0.00 -0.39 -0.32 0.09 -1.86 -1.99 115.95 109.45 1qha h TRP 261 Ca -0.55 0.00 0.08 0.00 0.09 0.00 0.00 58.89 58.51 1qha h TRP 261 Cb 1.33 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 30.55 1qha h TRP 261 CO 0.43 0.00 0.27 0.78 0.09 0.00 0.00 178.44 180.02 1qha h GLY 262 N 0.97 0.23 1.95 11.11 0.00 -1.89 -0.67 103.07 114.77 1qha h GLY 262 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1qha h GLY 262 CO 0.00 0.05 0.00 0.00 0.00 0.00 0.00 176.54 176.59 1qha n ALA 263 N -2.56 2.20 -1.66 3.60 0.00 -0.75 -2.18 120.51 119.16 1qha n ALA 263 Ca 0.06 -0.09 -0.53 0.00 0.00 0.00 0.00 53.44 52.87 1qha n ALA 263 Cb 0.34 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.31 1qha n ALA 263 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qha n PHE 264 N -1.47 1.94 -0.34 0.00 7.35 -0.26 -1.49 117.46 123.20 1qha n PHE 264 Ca 0.07 0.45 0.00 0.00 -0.76 0.00 0.00 57.45 57.21 1qha n PHE 264 Cb 0.29 -2.46 0.00 0.00 0.35 0.00 0.00 39.48 37.66 1qha n PHE 264 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1qha n GLY 265 N 3.56 0.80 0.20 7.13 0.00 -1.26 -2.71 105.19 112.90 1qha n GLY 265 Ca 0.22 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.38 1qha n GLY 265 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qha h ASP 266 N 0.00 0.00 -0.56 1.61 5.19 -1.57 -1.39 116.42 119.70 1qha h ASP 266 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1qha h ASP 266 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1qha h ASP 266 CO 0.00 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.22 1qha n ASP 267 N -2.54 3.42 0.00 6.45 5.75 -1.26 -4.93 116.55 123.45 1qha n ASP 267 Ca 0.00 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1qha n ASP 267 Cb 0.17 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 1qha n ASP 267 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qha n GLY 268 N 1.52 0.75 0.00 6.12 0.00 -0.52 -4.98 105.19 108.08 1qha n GLY 268 Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.33 1qha n GLY 268 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qha n SER 269 N 0.00 0.00 -0.64 1.61 3.41 -1.25 -2.62 113.62 114.13 1qha n SER 269 Ca 0.00 -0.13 0.07 0.00 -0.26 0.00 0.00 58.87 58.55 1qha n SER 269 Cb 0.00 -0.22 0.19 0.00 -0.26 0.00 0.00 64.21 63.92 1qha n SER 269 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qha n LEU 270 N -1.22 3.26 0.26 1.04 4.77 -1.26 -4.73 117.00 119.11 1qha n LEU 270 Ca 0.11 -2.66 0.18 0.00 -0.03 0.00 0.00 56.01 53.60 1qha n LEU 270 Cb 0.14 -0.40 0.90 0.00 -2.33 0.00 0.00 43.42 41.73 1qha n LEU 270 CO 0.14 0.68 1.15 -0.33 -1.33 0.00 0.00 177.39 177.70 1qha h GLU 271 N 1.47 0.00 0.00 3.23 4.39 -1.84 0.31 114.58 122.13 1qha h GLU 271 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1qha h GLU 271 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1qha h GLU 271 CO 0.11 0.00 -0.11 -0.40 -1.16 0.00 0.00 179.01 177.45 1qha n ASP 272 N -3.42 0.80 -0.11 1.42 5.75 -1.26 -3.83 116.55 115.89 1qha n ASP 272 Ca 0.00 0.50 -0.22 0.00 -0.01 0.00 0.00 54.79 55.06 1qha n ASP 272 Cb 0.31 -0.63 -0.12 0.00 -1.03 0.00 0.00 41.12 39.65 1qha n ASP 272 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1qha n ILE 273 N -2.24 1.55 -1.99 2.12 2.08 0.10 -4.98 119.36 116.00 1qha n ILE 273 Ca 0.05 -0.50 -0.41 0.00 0.56 0.00 0.00 62.75 62.45 1qha n ILE 273 Cb 0.43 -1.63 -0.02 0.00 -0.75 0.00 0.00 39.64 37.67 1qha n ILE 273 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1qha s ARG 274 N -2.51 4.25 0.59 0.38 0.52 -0.59 -4.93 118.95 116.65 1qha s ARG 274 Ca -0.34 2.34 0.10 0.00 -0.52 0.00 0.00 55.73 57.31 1qha s ARG 274 Cb 0.10 -3.09 0.09 0.00 0.52 0.00 0.00 34.95 32.58 1qha s ARG 274 CO 0.60 -0.42 0.80 0.95 0.02 0.00 0.00 175.30 177.24 1qha s THR 275 N -0.22 2.05 0.42 0.02 -4.23 -1.26 -4.95 115.64 107.47 1qha s THR 275 Ca 0.58 -1.02 0.10 0.00 -1.18 0.00 0.00 61.69 60.17 1qha s THR 275 Cb -0.43 -2.07 0.29 0.00 1.34 0.00 0.00 72.50 71.63 1qha s THR 275 CO 0.46 0.00 2.03 1.05 -0.54 0.00 0.00 174.62 177.63 1qha h GLU 276 N 0.16 0.47 -0.29 3.99 4.11 -1.98 -0.82 114.58 120.22 1qha h GLU 276 Ca -0.29 -0.03 -0.10 0.00 0.07 0.00 0.00 59.36 59.01 1qha h GLU 276 Cb 1.29 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1qha h GLU 276 CO 0.41 0.31 -0.25 0.74 0.07 0.00 0.00 179.01 180.29 1qha h PHE 277 N 0.49 0.63 -0.33 2.06 0.04 -1.97 -0.76 116.94 117.09 1qha h PHE 277 Ca 0.19 -0.14 -0.15 0.00 2.80 0.00 0.00 57.97 60.68 1qha h PHE 277 Cb 0.15 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1qha h PHE 277 CO -0.00 0.76 -0.38 -0.44 -0.60 0.00 0.00 178.31 177.65 1qha h ASP 278 N 0.49 0.85 0.08 2.17 3.32 -1.57 -0.67 116.42 121.08 1qha h ASP 278 Ca 0.07 -0.38 -0.07 0.00 0.02 0.00 0.00 57.03 56.67 1qha h ASP 278 Cb 0.69 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1qha h ASP 278 CO 0.05 1.13 -0.23 0.03 -1.72 0.00 0.00 179.24 178.50 1qha h ARG 279 N 0.65 0.27 -0.03 3.56 3.08 -0.96 -1.61 114.38 119.34 1qha h ARG 279 Ca 0.06 -0.09 -0.20 0.00 0.07 0.00 0.00 59.98 59.82 1qha h ARG 279 Cb 0.94 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 1qha h ARG 279 CO 0.09 0.49 -0.83 1.49 -1.07 0.00 0.00 179.97 180.15 1qha h GLU 280 N 0.24 0.35 -0.28 0.04 4.81 -0.82 -3.02 114.58 115.91 1qha h GLU 280 Ca 0.04 -0.33 -0.07 0.00 -0.13 0.00 0.00 59.36 58.86 1qha h GLU 280 Cb 0.55 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1qha h GLU 280 CO 0.04 1.00 -0.12 0.97 -0.73 0.00 0.00 179.01 180.17 1qha h ILE 281 N 0.22 1.29 -0.95 2.32 2.10 -0.86 -2.85 117.51 118.77 1qha h ILE 281 Ca -0.05 -1.19 0.18 0.00 1.08 0.00 0.00 64.86 64.88 1qha h ILE 281 Cb 1.43 1.48 -0.08 0.00 -1.09 0.00 0.00 36.82 38.55 1qha h ILE 281 CO 0.14 0.38 0.61 -0.78 -1.08 0.00 0.00 178.15 177.41 1qha h ASP 282 N 0.32 0.65 0.79 2.19 3.58 -1.26 -1.85 116.42 120.84 1qha h ASP 282 Ca 0.06 0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.49 1qha h ASP 282 Cb 0.62 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 1qha h ASP 282 CO 0.04 0.27 -0.40 0.03 -2.88 0.00 0.00 179.24 176.30 1qha h ARG 283 N 0.65 0.00 -0.05 0.28 3.08 -1.38 -2.63 114.38 114.34 1qha h ARG 283 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.56 1qha h ARG 283 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1qha h ARG 283 CO -0.27 0.40 0.00 0.41 -1.07 0.00 0.00 179.97 179.44 1qha n GLY 284 N 0.19 0.06 3.91 0.04 0.00 -0.73 -4.98 105.19 103.68 1qha n GLY 284 Ca -0.00 -0.44 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 1qha n GLY 284 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qha s SER 285 N -1.92 5.45 0.00 1.61 1.04 -0.99 -4.98 113.70 113.92 1qha s SER 285 Ca 0.37 0.76 0.14 0.00 0.48 0.00 0.00 55.95 57.69 1qha s SER 285 Cb 0.20 -1.66 0.46 0.00 0.10 0.00 0.00 66.02 65.12 1qha s SER 285 CO 0.32 -1.19 1.35 -0.11 0.98 0.00 0.00 173.24 174.59 1qha n LEU 286 N -2.71 1.69 -2.75 2.42 7.94 -1.26 -4.03 117.00 118.30 1qha n LEU 286 Ca 0.05 -0.80 -0.09 0.00 -1.11 0.00 0.00 56.01 54.06 1qha n LEU 286 Cb 0.58 -0.18 0.09 0.00 0.53 0.00 0.00 43.42 44.44 1qha n LEU 286 CO 0.54 0.40 0.32 -0.46 -1.11 0.00 0.00 177.39 177.08 1qha n ASN 287 N 0.39 -1.55 -4.77 1.96 6.94 -1.26 -5.02 115.26 111.94 1qha n ASN 287 Ca 0.13 -3.03 -0.40 0.00 -0.02 0.00 0.00 54.58 51.25 1qha n ASN 287 Cb 0.29 1.11 0.01 0.00 -2.36 0.00 0.00 39.78 38.83 1qha n ASN 287 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1qha s PRO 288 N -0.29 3.89 0.00 -0.53 0.04 -1.26 -1.86 135.00 134.99 1qha s PRO 288 Ca 0.24 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.65 1qha s PRO 288 Cb 0.36 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1qha s PRO 288 CO -0.06 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.75 1qha n GLY 289 N 0.59 3.07 3.65 0.56 0.00 -1.26 -5.03 105.19 106.77 1qha n GLY 289 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1qha n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qha s LYS 290 N -0.24 2.33 -1.34 1.61 -0.14 -0.78 -4.69 119.74 116.50 1qha s LYS 290 Ca 0.00 -1.27 -0.07 0.00 -1.36 0.00 0.00 55.97 53.27 1qha s LYS 290 Cb 0.00 -2.25 0.02 0.00 -1.68 0.00 0.00 37.83 33.92 1qha s LYS 290 CO 0.00 0.41 1.10 1.04 -0.76 0.00 0.00 175.35 177.14 1qha n GLN 291 N -0.53 -7.28 0.15 1.68 1.13 -1.26 -4.89 117.38 106.38 1qha n GLN 291 Ca -0.08 0.80 0.00 0.00 -1.94 0.00 0.00 57.00 55.78 1qha n GLN 291 Cb 0.57 -5.81 0.24 0.00 0.11 0.00 0.00 30.24 25.35 1qha n GLN 291 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1qha h LEU 292 N -2.42 0.02 -0.61 1.08 3.38 -1.74 -2.57 115.31 112.45 1qha h LEU 292 Ca -0.58 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.25 1qha h LEU 292 Cb 1.36 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 1qha h LEU 292 CO 0.56 0.53 -0.33 0.15 0.09 0.00 0.00 178.44 179.43 1qha h PHE 293 N 0.01 0.87 -0.64 1.13 3.57 -1.23 -3.13 116.94 117.52 1qha h PHE 293 Ca -0.00 -0.23 0.00 0.00 3.53 0.00 0.00 57.97 61.26 1qha h PHE 293 Cb 0.92 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 1qha h PHE 293 CO 0.00 0.97 0.40 1.49 -2.23 0.00 0.00 178.31 178.95 1qha h GLU 294 N 0.62 0.86 0.00 1.11 4.81 -1.45 -0.16 114.58 120.37 1qha h GLU 294 Ca 0.07 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qha h GLU 294 Cb 0.86 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.06 1qha h GLU 294 CO 0.08 0.59 0.00 1.63 -0.73 0.00 0.00 179.01 180.58 1qha n LYS 295 N -4.42 0.13 0.00 1.92 5.02 -0.99 -1.32 118.16 118.50 1qha n LYS 295 Ca 0.06 0.29 0.10 0.00 -2.02 0.00 0.00 58.31 56.74 1qha n LYS 295 Cb 0.06 -1.71 -0.08 0.00 -0.02 0.00 0.00 35.03 33.28 1qha n LYS 295 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1qha n MET 296 N -1.95 0.71 -0.02 1.97 2.81 -0.09 -4.78 117.12 115.77 1qha n MET 296 Ca 0.04 -0.32 -0.06 0.00 -1.81 0.00 0.00 57.70 55.54 1qha n MET 296 Cb 0.26 -1.44 -0.02 0.00 -0.71 0.00 0.00 33.22 31.31 1qha n MET 296 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1qha n VAL 297 N -1.00 0.67 -2.08 2.03 0.31 -0.84 -4.18 118.33 113.24 1qha n VAL 297 Ca 0.05 0.03 -0.30 0.00 -0.01 0.00 0.00 64.34 64.11 1qha n VAL 297 Cb 0.35 -1.66 0.01 0.00 -0.91 0.00 0.00 33.84 31.64 1qha n VAL 297 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1qha s SER 298 N -5.76 6.09 0.48 4.52 1.04 -0.44 -4.80 113.70 114.84 1qha s SER 298 Ca -0.10 1.22 0.14 0.00 0.48 0.00 0.00 55.95 57.70 1qha s SER 298 Cb 0.03 -2.30 1.14 0.00 0.10 0.00 0.00 66.02 65.00 1qha s SER 298 CO 0.12 -0.88 2.09 1.23 0.98 0.00 0.00 173.24 176.79 1qha h GLY 299 N -0.23 0.22 2.00 7.32 0.00 -0.48 -1.92 103.07 109.98 1qha h GLY 299 Ca -0.45 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1qha h GLY 299 CO 0.62 0.07 0.00 1.98 0.00 0.00 0.00 176.54 179.21 1qha h MET 300 N 0.20 0.00 0.00 4.80 1.85 -1.71 -3.32 114.93 116.74 1qha h MET 300 Ca 0.10 0.00 -0.19 0.00 -0.61 0.00 0.00 59.70 58.99 1qha h MET 300 Cb 0.15 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.14 1qha h MET 300 CO -0.02 0.00 -1.73 0.66 -0.40 0.00 0.00 176.91 175.42 1qha n TYR 301 N -2.84 0.00 -0.32 1.39 4.01 -0.75 -4.80 117.16 113.86 1qha n TYR 301 Ca -0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 1qha n TYR 301 Cb 0.21 -0.51 0.09 0.00 -0.31 0.00 0.00 39.34 38.82 1qha n TYR 301 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1qha h LEU 302 N 0.00 0.97 -0.61 7.72 3.38 -1.57 -1.49 115.31 123.71 1qha h LEU 302 Ca -0.29 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 57.75 1qha h LEU 302 Cb 1.58 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 42.03 1qha h LEU 302 CO -0.00 0.69 0.25 1.23 0.09 0.00 0.00 178.44 180.70 1qha h GLY 303 N 1.14 0.86 1.76 0.83 0.00 -1.78 -1.17 103.07 104.70 1qha h GLY 303 Ca 0.32 -0.15 -0.16 0.00 0.00 0.00 0.00 47.33 47.35 1qha h GLY 303 CO -0.08 0.02 -0.65 -2.09 0.00 0.00 0.00 176.54 173.73 1qha h GLU 304 N 0.45 0.24 0.29 4.80 4.57 -1.47 -1.65 114.58 121.82 1qha h GLU 304 Ca 0.30 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 1qha h GLU 304 Cb 0.33 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1qha h GLU 304 CO -0.27 0.81 -0.14 -0.07 -1.18 0.00 0.00 179.01 178.16 1qha h LEU 305 N 0.17 -0.33 -1.15 1.64 4.07 -0.71 0.80 115.31 119.80 1qha h LEU 305 Ca -0.01 0.01 -0.08 0.00 0.08 0.00 0.00 57.88 57.88 1qha h LEU 305 Cb 1.18 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.99 1qha h LEU 305 CO 0.10 -0.23 -0.24 -0.37 -1.08 0.00 0.00 178.44 176.62 1qha h VAL 306 N -0.40 1.24 -0.31 1.22 -1.51 -0.85 -2.53 116.25 113.11 1qha h VAL 306 Ca -0.04 -1.13 -0.01 0.00 -1.23 0.00 0.00 66.70 64.29 1qha h VAL 306 Cb 0.30 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 1qha h VAL 306 CO 0.07 0.35 0.16 -0.09 -1.23 0.00 0.00 177.57 176.82 1qha h ARG 307 N 0.27 0.44 -0.69 5.19 2.43 -1.01 0.22 114.38 121.23 1qha h ARG 307 Ca 0.04 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1qha h ARG 307 Cb 0.58 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1qha h ARG 307 CO 0.04 0.39 0.40 -0.07 -1.51 0.00 0.00 179.97 179.22 1qha h LEU 308 N 0.37 0.83 -0.70 3.80 3.38 -0.52 -1.68 115.31 120.79 1qha h LEU 308 Ca 0.11 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1qha h LEU 308 Cb 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1qha h LEU 308 CO -0.02 0.65 -0.41 0.40 0.09 0.00 0.00 178.44 179.15 1qha h ILE 309 N 0.95 1.30 -0.38 1.22 2.04 -1.03 -2.70 117.51 118.91 1qha h ILE 309 Ca 0.25 -1.58 -0.15 0.00 1.00 0.00 0.00 64.86 64.38 1qha h ILE 309 Cb -0.01 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1qha h ILE 309 CO -0.04 0.49 -0.36 -0.07 0.00 0.00 0.00 178.15 178.17 1qha h LEU 310 N 0.43 0.95 -0.51 1.44 3.38 -0.15 -1.51 115.31 119.34 1qha h LEU 310 Ca 0.04 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1qha h LEU 310 Cb 0.90 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1qha h LEU 310 CO 0.08 1.20 0.29 0.58 0.09 0.00 0.00 178.44 180.68 1qha h VAL 311 N 0.74 1.17 -0.34 1.22 2.07 -1.28 0.23 116.25 120.06 1qha h VAL 311 Ca 0.07 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1qha h VAL 311 Cb 0.94 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1qha h VAL 311 CO 0.09 0.17 0.10 0.50 0.02 0.00 0.00 177.57 178.45 1qha h LYS 312 N 0.68 0.53 -0.36 1.57 3.64 -1.38 0.22 116.57 121.48 1qha h LYS 312 Ca 0.18 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1qha h LYS 312 Cb 0.02 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1qha h LYS 312 CO -0.03 0.57 -0.09 0.52 -2.27 0.00 0.00 179.45 178.15 1qha h MET 313 N 0.39 0.61 -0.01 1.90 2.86 -1.10 -2.51 114.93 117.08 1qha h MET 313 Ca 0.11 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1qha h MET 313 Cb 0.27 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 1qha h MET 313 CO -0.00 0.70 0.00 0.00 1.06 0.00 0.00 176.91 178.66 1qha h ALA 314 N 1.34 0.01 -0.18 6.32 0.00 -0.04 0.59 119.26 127.30 1qha h ALA 314 Ca 0.10 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1qha h ALA 314 Cb 0.50 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1qha h ALA 314 CO 0.03 -0.38 0.13 0.87 0.00 0.00 0.00 179.25 179.90 1qha h LYS 315 N -0.21 0.00 -0.63 0.00 1.57 -0.55 -1.47 116.57 115.28 1qha h LYS 315 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qha h LYS 315 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1qha h LYS 315 CO -0.00 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.27 1qha n GLU 316 N -4.47 3.12 -1.97 3.15 1.02 -0.95 -4.91 120.64 115.63 1qha n GLU 316 Ca 0.01 -2.12 -0.17 0.00 -0.02 0.00 0.00 57.16 54.86 1qha n GLU 316 Cb 0.27 -1.77 -0.04 0.00 -0.02 0.00 0.00 31.44 29.88 1qha n GLU 316 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qha n GLY 317 N 0.85 0.55 0.56 0.62 0.00 -0.55 -4.87 105.19 102.35 1qha n GLY 317 Ca 0.19 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.15 1qha n GLY 317 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qha n LEU 318 N -2.25 2.06 -4.00 0.99 4.77 0.20 -4.46 117.00 114.32 1qha n LEU 318 Ca -0.19 -0.72 -0.09 0.00 -0.03 0.00 0.00 56.01 54.98 1qha n LEU 318 Cb 0.62 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.58 1qha n LEU 318 CO 0.25 0.37 -0.36 -0.76 -1.33 0.00 0.00 177.39 175.56 1qha s LEU 319 N -2.35 2.26 -1.25 2.23 1.43 -1.17 -4.87 118.68 114.96 1qha s LEU 319 Ca 0.23 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1qha s LEU 319 Cb 0.19 0.09 0.00 0.00 0.03 0.00 0.00 46.19 46.50 1qha s LEU 319 CO 0.49 -0.32 0.00 0.49 0.23 0.00 0.00 176.35 177.24 1qha n PHE 320 N 1.45 -1.25 -4.34 0.29 3.72 -1.26 -1.01 117.46 115.05 1qha n PHE 320 Ca -0.23 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.78 1qha n PHE 320 Cb 0.56 -3.03 -0.08 0.00 -0.94 0.00 0.00 39.48 35.99 1qha n PHE 320 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1qha n GLU 321 N -2.79 -0.76 -1.36 -1.08 0.28 -1.26 -0.81 120.64 112.86 1qha n GLU 321 Ca -0.17 0.13 -0.03 0.00 -0.16 0.00 0.00 57.16 56.93 1qha n GLU 321 Cb 0.62 -4.29 -0.01 0.00 1.43 0.00 0.00 31.44 29.19 1qha n GLU 321 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1qha n GLY 322 N -1.23 0.52 3.63 -1.84 0.00 -0.18 -4.96 105.19 101.12 1qha n GLY 322 Ca 0.06 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.79 1qha n GLY 322 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qha s ARG 323 N -2.78 4.10 -0.10 1.61 0.52 0.01 -4.80 118.95 117.51 1qha s ARG 323 Ca 0.00 0.33 -0.09 0.00 -0.52 0.00 0.00 55.73 55.46 1qha s ARG 323 Cb 0.00 -3.63 -0.04 0.00 0.52 0.00 0.00 34.95 31.80 1qha s ARG 323 CO 0.00 -0.30 0.19 0.42 0.02 0.00 0.00 175.30 175.64 1qha s ILE 324 N 2.13 5.41 0.27 1.52 1.01 -1.26 -4.85 121.20 125.42 1qha s ILE 324 Ca 0.22 0.34 0.09 0.00 0.00 0.00 0.00 60.65 61.29 1qha s ILE 324 Cb -0.16 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 1qha s ILE 324 CO 0.09 0.61 -0.12 0.42 0.00 0.00 0.00 174.94 175.94 1qha s THR 325 N -1.04 1.97 0.26 2.92 -4.23 -1.26 -5.01 115.64 109.26 1qha s THR 325 Ca 0.17 -2.23 -0.01 0.00 -1.18 0.00 0.00 61.69 58.43 1qha s THR 325 Cb -0.13 -2.33 0.25 0.00 1.34 0.00 0.00 72.50 71.63 1qha s THR 325 CO 0.06 -0.40 1.81 -0.65 -0.54 0.00 0.00 174.62 174.90 1qha h PRO 326 N 2.32 0.79 0.07 3.99 0.11 -1.97 -2.49 132.00 134.82 1qha h PRO 326 Ca -0.40 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1qha h PRO 326 Cb 1.24 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1qha h PRO 326 CO 0.64 0.53 -0.05 0.93 -0.21 0.00 0.00 178.00 179.84 1qha h GLU 327 N 0.82 -0.12 -0.77 1.05 3.07 -1.95 -2.62 114.58 114.06 1qha h GLU 327 Ca 0.46 0.01 0.17 0.00 -0.50 0.00 0.00 59.36 59.49 1qha h GLU 327 Cb 0.51 0.03 -0.11 0.00 -0.84 0.00 0.00 28.75 28.33 1qha h GLU 327 CO -0.29 -0.08 0.24 1.25 -1.40 0.00 0.00 179.01 178.73 1qha h LEU 328 N -0.12 0.13 0.00 1.33 5.85 -1.63 0.14 115.31 121.00 1qha h LEU 328 Ca -0.00 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1qha h LEU 328 Cb 0.11 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1qha h LEU 328 CO 0.00 -0.00 0.00 0.18 -0.34 0.00 0.00 178.44 178.28 1qha n LEU 329 N -5.10 0.00 -4.73 2.25 4.77 -1.01 -4.85 117.00 108.32 1qha n LEU 329 Ca 0.16 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.79 1qha n LEU 329 Cb 0.49 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.50 1qha n LEU 329 CO 0.14 0.00 -0.17 -0.89 -1.33 0.00 0.00 177.39 175.14 1qha s THR 330 N -2.00 5.40 0.17 -5.08 2.01 0.47 -5.03 115.64 111.58 1qha s THR 330 Ca 0.19 0.21 -0.33 0.00 0.31 0.00 0.00 61.69 62.07 1qha s THR 330 Cb 0.09 -3.48 -0.15 0.00 0.01 0.00 0.00 72.50 68.97 1qha s THR 330 CO 0.14 0.44 1.37 -1.14 -0.69 0.00 0.00 174.62 174.74 1qha n ARG 331 N 3.51 1.66 -0.55 4.92 0.63 -1.26 -2.42 116.66 123.15 1qha n ARG 331 Ca -0.16 0.60 0.00 0.00 -0.92 0.00 0.00 57.85 57.37 1qha n ARG 331 Cb 0.52 -2.23 0.00 0.00 0.45 0.00 0.00 32.46 31.20 1qha n ARG 331 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1qha n GLY 332 N 2.48 1.16 0.00 5.14 0.00 -1.26 -4.90 105.19 107.81 1qha n GLY 332 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1qha n GLY 332 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qha n LYS 333 N -2.00 0.22 -3.91 1.61 5.02 -1.02 -4.45 118.16 113.63 1qha n LYS 333 Ca 0.00 0.07 -0.30 0.00 -2.02 0.00 0.00 58.31 56.06 1qha n LYS 333 Cb 0.00 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.35 1qha n LYS 333 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1qha s PHE 334 N -2.73 2.29 0.53 2.13 2.19 -1.26 -5.08 117.98 116.06 1qha s PHE 334 Ca 0.19 -1.74 -0.11 0.00 0.33 0.00 0.00 56.93 55.60 1qha s PHE 334 Cb 0.16 -1.61 -0.05 0.00 -1.31 0.00 0.00 43.02 40.21 1qha s PHE 334 CO 0.39 -0.78 0.92 -0.80 1.83 0.00 0.00 175.22 176.78 1qha s ASN 335 N 1.43 6.38 0.56 6.13 0.01 -1.26 -3.27 114.94 124.92 1qha s ASN 335 Ca -0.03 1.29 0.25 0.00 -0.71 0.00 0.00 52.86 53.65 1qha s ASN 335 Cb -0.19 -2.40 1.60 0.00 0.41 0.00 0.00 41.25 40.68 1qha s ASN 335 CO -0.08 -0.66 2.21 0.74 -1.51 0.00 0.00 177.10 177.80 1qha h THR 336 N 0.33 0.70 0.00 1.60 2.02 -1.90 0.26 112.91 115.93 1qha h THR 336 Ca -0.46 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1qha h THR 336 Cb 1.19 1.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1qha h THR 336 CO 0.62 0.01 0.00 0.77 0.37 0.00 0.00 175.52 177.29 1qha h SER 337 N 0.00 0.00 0.78 4.18 4.64 -1.93 0.35 113.55 121.57 1qha h SER 337 Ca -0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 1qha h SER 337 Cb 0.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 1qha h SER 337 CO 0.00 0.00 -1.26 0.44 -0.87 0.00 0.00 176.83 175.15 1qha h ASP 338 N 0.00 0.09 -0.19 4.97 3.32 -1.33 -1.29 116.42 121.98 1qha h ASP 338 Ca 0.00 -0.11 -0.16 0.00 0.02 0.00 0.00 57.03 56.78 1qha h ASP 338 Cb 0.59 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 1qha h ASP 338 CO 0.00 1.09 -0.47 0.58 -1.72 0.00 0.00 179.24 178.71 1qha h VAL 339 N 0.02 1.29 0.24 -1.35 2.07 -0.82 0.50 116.25 118.19 1qha h VAL 339 Ca -0.12 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 1qha h VAL 339 Cb 1.88 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 1qha h VAL 339 CO 0.13 0.54 -0.12 0.28 0.02 0.00 0.00 177.57 178.42 1qha h SER 340 N 0.60 -0.27 -0.90 0.57 0.02 -1.02 -2.40 113.55 110.15 1qha h SER 340 Ca 0.03 -0.14 0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1qha h SER 340 Cb 1.05 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 63.58 1qha h SER 340 CO 0.10 -0.02 0.55 0.00 -1.14 0.00 0.00 176.83 176.32 1qha h ALA 341 N 0.17 1.30 0.00 3.77 0.00 -1.02 -1.90 119.26 121.58 1qha h ALA 341 Ca -0.03 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1qha h ALA 341 Cb 0.39 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1qha h ALA 341 CO 0.05 0.20 -0.10 0.82 0.00 0.00 0.00 179.25 180.22 1qha h ILE 342 N 0.92 0.39 -0.60 0.00 2.04 -0.65 -2.99 117.51 116.63 1qha h ILE 342 Ca 0.43 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1qha h ILE 342 Cb 0.35 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1qha h ILE 342 CO -0.23 0.10 0.00 -0.62 0.00 0.00 0.00 178.15 177.40 1qha n GLU 343 N -3.43 2.52 -2.36 2.37 1.02 -0.72 -4.30 120.64 115.74 1qha n GLU 343 Ca -0.01 -2.20 -0.37 0.00 -0.02 0.00 0.00 57.16 54.56 1qha n GLU 343 Cb 0.27 -1.51 -0.02 0.00 -0.02 0.00 0.00 31.44 30.15 1qha n GLU 343 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1qha s LYS 344 N -1.28 3.90 0.06 3.49 1.02 -1.13 -4.77 119.74 121.03 1qha s LYS 344 Ca 0.41 1.68 -0.28 0.00 0.02 0.00 0.00 55.97 57.79 1qha s LYS 344 Cb 0.22 -2.45 -0.17 0.00 -0.52 0.00 0.00 37.83 34.91 1qha s LYS 344 CO 0.26 -0.41 1.56 -0.91 -0.92 0.00 0.00 175.35 174.94 1qha h ASN 345 N 2.19 -0.45 0.23 2.83 -0.26 -1.92 -1.77 115.58 116.42 1qha h ASN 345 Ca -0.49 -0.03 -0.34 0.00 -0.56 0.00 0.00 56.30 54.87 1qha h ASN 345 Cb 1.24 0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 38.59 1qha h ASN 345 CO 0.61 -0.26 -1.88 0.11 -1.06 0.00 0.00 177.43 174.95 1qha h LYS 346 N -0.62 0.22 -0.01 0.81 1.79 -1.99 -3.41 116.57 113.37 1qha h LYS 346 Ca -0.05 -0.38 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1qha h LYS 346 Cb 0.46 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 1qha h LYS 346 CO 0.09 1.07 -0.69 -0.85 -1.08 0.00 0.00 179.45 177.99 1qha n GLU 347 N -3.40 0.44 -0.22 3.15 0.00 -1.25 -4.66 120.64 114.69 1qha n GLU 347 Ca -0.27 -0.34 0.02 0.00 0.00 0.00 0.00 57.16 56.58 1qha n GLU 347 Cb 1.05 -1.49 0.12 0.00 0.00 0.00 0.00 31.44 31.12 1qha n GLU 347 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1qha h GLY 348 N 4.95 0.74 1.61 -1.84 0.00 -1.49 0.12 103.07 107.17 1qha h GLY 348 Ca 0.00 0.07 -0.13 0.00 0.00 0.00 0.00 47.33 47.27 1qha h GLY 348 CO 0.00 -0.21 -0.46 1.41 0.00 0.00 0.00 176.54 177.28 1qha h LEU 349 N 0.14 0.45 -0.65 3.11 4.07 -1.82 0.15 115.31 120.75 1qha h LEU 349 Ca 0.35 -0.21 -0.12 0.00 0.08 0.00 0.00 57.88 57.98 1qha h LEU 349 Cb 0.58 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 1qha h LEU 349 CO -0.55 0.85 -0.19 0.45 -1.08 0.00 0.00 178.44 177.92 1qha h HIS 350 N 0.34 0.97 -0.30 1.13 3.86 -1.26 -2.55 115.15 117.35 1qha h HIS 350 Ca 0.02 -0.21 -0.05 0.00 -1.16 0.00 0.00 60.37 58.97 1qha h HIS 350 Cb 0.94 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.17 1qha h HIS 350 CO 0.03 0.97 -0.01 -0.91 0.86 0.00 0.00 177.93 178.87 1qha h ASN 351 N 0.75 0.53 -0.99 2.45 -0.26 -0.51 -2.79 115.58 114.77 1qha h ASN 351 Ca 0.11 -0.32 0.10 0.00 -0.56 0.00 0.00 56.30 55.62 1qha h ASN 351 Cb 0.72 -0.14 -0.07 0.00 -1.06 0.00 0.00 38.32 37.76 1qha h ASN 351 CO 0.06 0.72 0.63 0.00 -1.06 0.00 0.00 177.43 177.78 1qha h ALA 352 N 0.83 1.50 -0.04 -0.83 0.00 -0.52 -2.34 119.26 117.85 1qha h ALA 352 Ca 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1qha h ALA 352 Cb 0.46 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1qha h ALA 352 CO 0.02 0.30 0.00 -0.22 0.00 0.00 0.00 179.25 179.35 1qha h LYS 353 N 1.05 0.08 -0.58 0.00 3.64 -1.23 -0.88 116.57 118.64 1qha h LYS 353 Ca 0.46 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.90 1qha h LYS 353 Cb 0.36 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.10 1qha h LYS 353 CO -0.21 0.36 0.23 1.49 -2.27 0.00 0.00 179.45 179.04 1qha h GLU 354 N -0.21 0.41 -0.10 1.90 4.81 -1.36 0.15 114.58 120.19 1qha h GLU 354 Ca 0.01 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 59.00 1qha h GLU 354 Cb 0.32 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.61 1qha h GLU 354 CO 0.00 0.27 -0.83 0.82 -0.73 0.00 0.00 179.01 178.55 1qha h ILE 355 N 0.43 1.31 -0.06 2.32 2.04 -1.37 -0.79 117.51 121.40 1qha h ILE 355 Ca 0.29 -2.10 -0.20 0.00 1.00 0.00 0.00 64.86 63.85 1qha h ILE 355 Cb 0.32 2.12 -0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1qha h ILE 355 CO -0.27 0.65 -0.79 -0.07 0.00 0.00 0.00 178.15 177.67 1qha h LEU 356 N 0.43 0.50 -0.77 1.44 3.38 -1.01 -1.73 115.31 117.55 1qha h LEU 356 Ca -0.06 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.57 1qha h LEU 356 Cb 1.45 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 1qha h LEU 356 CO 0.16 1.11 0.51 0.74 0.09 0.00 0.00 178.44 181.04 1qha h THR 357 N 0.26 1.19 0.00 0.22 2.02 -0.67 -0.43 112.91 115.51 1qha h THR 357 Ca -0.04 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 1qha h THR 357 Cb 1.39 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1qha h THR 357 CO 0.14 0.19 -0.06 -0.09 0.37 0.00 0.00 175.52 176.06 1qha h ARG 358 N 1.03 0.00 -0.01 6.66 9.65 -0.93 -1.93 114.38 128.86 1qha h ARG 358 Ca 0.28 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.16 1qha h ARG 358 Cb -0.11 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.47 1qha h ARG 358 CO -0.07 0.06 -0.19 1.28 2.80 0.00 0.00 179.97 183.86 1qha n LEU 359 N -3.44 0.83 0.00 3.80 7.99 -0.21 -4.94 117.00 121.02 1qha n LEU 359 Ca -0.02 -0.16 0.00 0.00 -0.01 0.00 0.00 56.01 55.82 1qha n LEU 359 Cb 0.20 -0.14 0.00 0.00 -0.11 0.00 0.00 43.42 43.37 1qha n LEU 359 CO 0.27 0.15 0.00 0.61 -1.51 0.00 0.00 177.39 176.91 1qha n GLY 360 N 1.31 0.70 0.54 -0.72 0.00 -0.73 -4.23 105.19 102.07 1qha n GLY 360 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 1qha n GLY 360 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qha n VAL 361 N -2.06 0.43 -3.68 1.61 0.24 -1.15 -4.91 118.33 108.81 1qha n VAL 361 Ca 0.00 -0.31 -0.21 0.00 -2.04 0.00 0.00 64.34 61.78 1qha n VAL 361 Cb 0.00 -0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 1qha n VAL 361 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1qha n GLU 362 N 0.12 -1.49 -2.39 7.34 1.02 -1.26 -4.84 120.64 119.15 1qha n GLU 362 Ca 0.07 0.86 -0.35 0.00 -0.02 0.00 0.00 57.16 57.72 1qha n GLU 362 Cb 0.28 -2.84 -0.02 0.00 -0.02 0.00 0.00 31.44 28.84 1qha n GLU 362 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1qha s PRO 363 N -4.68 3.70 0.50 3.49 0.04 -1.26 -4.98 135.00 131.81 1qha s PRO 363 Ca 0.01 1.56 0.08 0.00 0.04 0.00 0.00 61.00 62.68 1qha s PRO 363 Cb -0.00 -2.20 0.05 0.00 0.04 0.00 0.00 34.50 32.38 1qha s PRO 363 CO 0.87 -0.55 0.69 -1.54 0.04 0.00 0.00 177.00 176.51 1qha s SER 364 N -1.71 5.36 0.20 6.66 1.04 -1.26 -4.95 113.70 119.05 1qha s SER 364 Ca 0.67 -0.54 -0.10 0.00 0.48 0.00 0.00 55.95 56.46 1qha s SER 364 Cb -0.22 -0.30 0.14 0.00 0.10 0.00 0.00 66.02 65.74 1qha s SER 364 CO 0.27 -1.05 1.84 0.44 0.98 0.00 0.00 173.24 175.72 1qha h ASP 365 N 0.37 0.88 -0.09 7.02 3.32 -1.99 -0.82 116.42 125.11 1qha h ASP 365 Ca -0.36 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 56.64 1qha h ASP 365 Cb 1.28 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 1qha h ASP 365 CO 0.44 0.69 -0.04 0.44 -1.72 0.00 0.00 179.24 179.05 1qha h ASP 366 N 1.00 -0.13 -0.98 6.45 3.32 -1.99 -1.55 116.42 122.54 1qha h ASP 366 Ca 0.26 0.04 0.17 0.00 0.02 0.00 0.00 57.03 57.52 1qha h ASP 366 Cb -0.03 0.08 -0.10 0.00 0.22 0.00 0.00 39.33 39.49 1qha h ASP 366 CO -0.05 -0.05 0.58 0.44 -1.72 0.00 0.00 179.24 178.44 1qha h ASP 367 N -0.03 0.76 -0.74 6.45 3.32 -1.72 0.21 116.42 124.66 1qha h ASP 367 Ca 0.05 0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 1qha h ASP 367 Cb 0.10 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1qha h ASP 367 CO -0.11 0.30 0.31 0.00 -1.72 0.00 0.00 179.24 178.02 1qha h VAL 369 N 1.06 0.64 -0.08 0.00 -1.51 0.10 -1.94 116.25 114.53 1qha h VAL 369 Ca 0.25 -1.31 -0.18 0.00 -1.23 0.00 0.00 66.70 64.23 1qha h VAL 369 Cb 0.19 1.87 0.01 0.00 -2.13 0.00 0.00 31.29 31.23 1qha h VAL 369 CO -0.02 0.27 -0.64 0.28 -1.23 0.00 0.00 177.57 176.23 1qha h SER 370 N 0.00 0.69 0.15 4.19 0.02 0.46 -2.77 113.55 116.30 1qha h SER 370 Ca -0.00 -0.68 -0.06 0.00 -0.84 0.00 0.00 61.79 60.21 1qha h SER 370 Cb 0.85 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1qha h SER 370 CO 0.04 1.26 -0.24 0.58 -1.14 0.00 0.00 176.83 177.34 1qha h VAL 371 N 0.17 1.21 -0.79 2.27 2.07 -0.53 -2.10 116.25 118.56 1qha h VAL 371 Ca -0.06 -0.99 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 1qha h VAL 371 Cb 1.30 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 1qha h VAL 371 CO 0.13 0.30 0.32 -0.61 0.02 0.00 0.00 177.57 177.72 1qha h GLN 372 N 0.14 1.18 -0.34 1.57 4.15 -1.29 -1.80 115.11 118.72 1qha h GLN 372 Ca 0.02 -0.21 -0.14 0.00 0.77 0.00 0.00 58.65 59.09 1qha h GLN 372 Cb 0.50 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 1qha h GLN 372 CO 0.03 0.95 -0.34 1.25 -1.93 0.00 0.00 178.83 178.79 1qha h HIS 373 N 1.14 1.00 -0.17 3.99 2.76 -1.15 0.12 115.15 122.84 1qha h HIS 373 Ca 0.26 -0.30 -0.03 0.00 -2.20 0.00 0.00 60.37 58.10 1qha h HIS 373 Cb 0.22 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1qha h HIS 373 CO 0.02 1.09 -0.02 0.28 -1.30 0.00 0.00 177.93 178.01 1qha h VAL 374 N 0.61 1.27 -0.69 5.26 2.07 -1.29 -0.32 116.25 123.16 1qha h VAL 374 Ca 0.05 -0.91 0.12 0.00 0.82 0.00 0.00 66.70 66.78 1qha h VAL 374 Cb 0.93 1.53 -0.08 0.00 -1.52 0.00 0.00 31.29 32.15 1qha h VAL 374 CO 0.08 0.27 0.28 0.00 0.02 0.00 0.00 177.57 178.22 1qha h THR 376 N 0.45 1.12 0.02 0.00 2.02 0.37 -2.34 112.91 114.55 1qha h THR 376 Ca 0.36 -0.26 -0.21 0.00 0.77 0.00 0.00 66.41 67.07 1qha h THR 376 Cb 0.49 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1qha h THR 376 CO -0.35 0.14 -0.94 0.40 0.37 0.00 0.00 175.52 175.14 1qha h ILE 377 N 0.76 1.48 -0.25 3.11 2.04 -0.34 -2.74 117.51 121.58 1qha h ILE 377 Ca 0.22 -2.67 -0.03 0.00 1.00 0.00 0.00 64.86 63.38 1qha h ILE 377 Cb -0.05 2.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 1qha h ILE 377 CO -0.06 0.78 0.04 0.58 0.00 0.00 0.00 178.15 179.49 1qha h VAL 378 N 0.13 1.23 0.00 1.67 2.07 -0.91 -1.34 116.25 119.10 1qha h VAL 378 Ca -0.06 -0.76 -0.11 0.00 0.82 0.00 0.00 66.70 66.59 1qha h VAL 378 Cb 1.59 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 1qha h VAL 378 CO 0.15 0.24 -0.55 0.77 0.02 0.00 0.00 177.57 178.20 1qha h SER 379 N 0.23 0.00 0.49 0.57 4.64 -1.48 -1.69 113.55 116.30 1qha h SER 379 Ca 0.08 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.21 1qha h SER 379 Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 1qha h SER 379 CO 0.00 0.55 -0.82 0.15 -0.87 0.00 0.00 176.83 175.84 1qha h PHE 380 N 0.00 0.35 -0.46 4.77 3.04 -1.53 0.44 116.94 123.55 1qha h PHE 380 Ca -0.01 -0.18 -0.05 0.00 3.98 0.00 0.00 57.97 61.72 1qha h PHE 380 Cb 1.17 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.62 1qha h PHE 380 CO 0.00 0.96 0.10 -0.09 -2.02 0.00 0.00 178.31 177.26 1qha h ARG 381 N 0.15 0.75 -0.10 1.11 2.43 -0.91 0.10 114.38 117.91 1qha h ARG 381 Ca -0.04 -0.19 0.03 0.00 -0.81 0.00 0.00 59.98 58.98 1qha h ARG 381 Cb 1.42 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.84 1qha h ARG 381 CO 0.13 0.75 -0.11 1.03 -1.51 0.00 0.00 179.97 180.26 1qha h SER 382 N 0.63 -0.33 -0.59 -3.80 0.87 -1.09 -1.96 113.55 107.28 1qha h SER 382 Ca 0.14 0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.82 1qha h SER 382 Cb 0.34 0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.41 1qha h SER 382 CO 0.00 -0.14 0.31 0.00 -0.53 0.00 0.00 176.83 176.47 1qha h ALA 383 N 0.93 0.78 -0.46 6.23 0.00 -0.15 -2.71 119.26 123.88 1qha h ALA 383 Ca 0.07 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1qha h ALA 383 Cb 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1qha h ALA 383 CO -0.18 -0.02 0.04 -0.91 0.00 0.00 0.00 179.25 178.18 1qha h ASN 384 N 0.59 0.77 -0.73 0.00 -0.26 -0.47 -2.89 115.58 112.58 1qha h ASN 384 Ca 0.27 -0.28 0.03 0.00 -0.56 0.00 0.00 56.30 55.75 1qha h ASN 384 Cb 0.17 -0.20 -0.04 0.00 -1.06 0.00 0.00 38.32 37.18 1qha h ASN 384 CO -0.18 0.86 0.46 -0.07 -1.06 0.00 0.00 177.43 177.44 1qha h LEU 385 N 0.65 0.77 -0.43 1.61 3.38 -1.10 -1.68 115.31 118.52 1qha h LEU 385 Ca 0.14 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1qha h LEU 385 Cb 0.44 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1qha h LEU 385 CO 0.02 0.54 -0.03 1.62 0.09 0.00 0.00 178.44 180.67 1qha h VAL 386 N 0.91 0.05 -0.53 1.22 3.04 -1.50 -1.77 116.25 117.67 1qha h VAL 386 Ca 0.29 -0.92 -0.07 0.00 -1.01 0.00 0.00 66.70 64.99 1qha h VAL 386 Cb -0.00 1.88 -0.02 0.00 -2.01 0.00 0.00 31.29 31.14 1qha h VAL 386 CO -0.10 0.03 0.08 0.00 -1.01 0.00 0.00 177.57 176.56 1qha h ALA 387 N 1.97 0.71 -0.25 3.17 0.00 -1.26 0.15 119.26 123.76 1qha h ALA 387 Ca -0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1qha h ALA 387 Cb 0.88 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1qha h ALA 387 CO 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 179.25 179.67 1qha h ALA 388 N 0.98 0.34 -0.00 0.00 0.00 -0.48 -1.96 119.26 118.13 1qha h ALA 388 Ca 0.16 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 1qha h ALA 388 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1qha h ALA 388 CO 0.01 0.12 -0.88 1.79 0.00 0.00 0.00 179.25 180.30 1qha h THR 389 N 0.22 1.46 -0.64 0.00 1.35 -1.37 -2.58 112.91 111.34 1qha h THR 389 Ca 0.06 -2.52 -0.02 0.00 -0.55 0.00 0.00 66.41 63.38 1qha h THR 389 Cb 0.50 2.42 -0.03 0.00 -1.73 0.00 0.00 68.15 69.30 1qha h THR 389 CO 0.02 0.74 0.31 0.25 -0.25 0.00 0.00 175.52 176.59 1qha h LEU 390 N 0.15 0.82 -0.68 3.87 7.12 -0.77 -2.84 115.31 122.98 1qha h LEU 390 Ca -0.05 -0.08 -0.14 0.00 0.13 0.00 0.00 57.88 57.74 1qha h LEU 390 Cb 1.50 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 41.40 1qha h LEU 390 CO 0.14 0.69 -0.64 1.23 -0.13 0.00 0.00 178.44 179.73 1qha h GLY 391 N 0.99 0.06 0.74 3.75 0.00 -1.16 -2.29 103.07 105.16 1qha h GLY 391 Ca 0.22 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.49 1qha h GLY 391 CO -0.03 0.08 -0.07 0.00 0.00 0.00 0.00 176.54 176.52 1qha h ALA 392 N 1.31 -0.02 -0.55 3.60 0.00 -1.31 0.28 119.26 122.57 1qha h ALA 392 Ca -0.01 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1qha h ALA 392 Cb 1.15 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 1qha h ALA 392 CO 0.09 -0.54 0.10 0.82 0.00 0.00 0.00 179.25 179.72 1qha h ILE 393 N -0.09 0.67 -0.46 0.00 2.04 -1.22 -0.07 117.51 118.38 1qha h ILE 393 Ca 0.05 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 1qha h ILE 393 Cb 0.16 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1qha h ILE 393 CO -0.12 0.04 -0.01 -0.07 0.00 0.00 0.00 178.15 178.00 1qha h LEU 394 N 0.24 0.73 -0.96 1.44 3.38 -1.07 0.95 115.31 120.02 1qha h LEU 394 Ca 0.28 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1qha h LEU 394 Cb 0.40 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1qha h LEU 394 CO -0.37 0.80 -0.12 0.78 0.09 0.00 0.00 178.44 179.62 1qha h ASN 395 N 0.71 0.61 -0.38 -0.43 2.35 0.10 -0.39 115.58 118.14 1qha h ASN 395 Ca 0.14 -0.17 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 1qha h ASN 395 Cb 0.45 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1qha h ASN 395 CO 0.02 0.76 -0.08 -0.09 -1.65 0.00 0.00 177.43 176.38 1qha h ARG 396 N 0.57 0.73 -0.30 0.81 2.43 -0.47 -0.01 114.38 118.14 1qha h ARG 396 Ca 0.10 -0.28 0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1qha h ARG 396 Cb 0.54 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1qha h ARG 396 CO 0.03 0.87 0.18 -0.07 -1.51 0.00 0.00 179.97 179.48 1qha h LEU 397 N 0.54 0.30 -0.91 3.80 3.38 -0.53 -0.91 115.31 120.98 1qha h LEU 397 Ca 0.10 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1qha h LEU 397 Cb 0.60 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1qha h LEU 397 CO 0.04 0.22 0.11 -0.09 0.09 0.00 0.00 178.44 178.81 1qha h ARG 398 N 0.37 0.92 -0.21 1.13 2.43 -0.99 -2.57 114.38 115.46 1qha h ARG 398 Ca 0.11 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 59.02 1qha h ARG 398 Cb -0.02 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1qha h ARG 398 CO -0.04 0.84 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.74 1qha h ASP 399 N 0.87 0.43 -0.91 -3.80 5.19 -0.40 -2.80 116.42 115.00 1qha h ASP 399 Ca 0.18 -0.38 0.14 0.00 -0.62 0.00 0.00 57.03 56.35 1qha h ASP 399 Cb 0.36 -0.12 -0.09 0.00 0.18 0.00 0.00 39.33 39.66 1qha h ASP 399 CO 0.00 0.72 0.52 0.78 -3.12 0.00 0.00 179.24 178.14 1qha h ASN 400 N 0.14 0.69 0.46 6.45 -0.26 -1.19 -2.91 115.58 118.96 1qha h ASN 400 Ca 0.05 0.08 -0.13 0.00 -0.56 0.00 0.00 56.30 55.74 1qha h ASN 400 Cb 0.54 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.74 1qha h ASN 400 CO 0.02 0.31 -0.58 0.50 -1.06 0.00 0.00 177.43 176.63 1qha h LYS 401 N 0.75 0.13 0.00 0.81 3.64 -1.30 -3.48 116.57 117.12 1qha h LYS 401 Ca 0.49 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 1qha h LYS 401 Cb 0.64 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1qha h LYS 401 CO -0.33 0.67 0.00 0.41 -2.27 0.00 0.00 179.45 177.93 1qha n GLY 402 N 0.17 0.74 3.54 5.01 0.00 -1.07 -5.06 105.19 108.53 1qha n GLY 402 Ca -0.02 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1qha n GLY 402 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qha s THR 403 N -2.00 3.42 0.21 2.61 2.01 -1.25 -5.04 115.64 115.60 1qha s THR 403 Ca 0.00 -0.67 -0.10 0.00 0.31 0.00 0.00 61.69 61.23 1qha s THR 403 Cb 0.00 -2.41 0.14 0.00 0.01 0.00 0.00 72.50 70.25 1qha s THR 403 CO 0.00 0.53 1.74 -0.65 -0.69 0.00 0.00 174.62 175.55 1qha h PRO 404 N 5.06 0.37 -6.37 4.92 0.11 -1.95 -3.44 132.00 130.70 1qha h PRO 404 Ca -0.48 -0.02 -0.63 0.00 0.11 0.00 0.00 66.00 64.98 1qha h PRO 404 Cb 1.16 -0.08 -0.16 0.00 0.11 0.00 0.00 31.00 32.03 1qha h PRO 404 CO 0.52 0.24 -0.78 0.50 -0.21 0.00 0.00 178.00 178.27 1qha s ARG 405 N -6.10 1.64 -0.08 1.05 3.52 -1.26 -4.89 118.95 112.83 1qha s ARG 405 Ca -0.13 -1.66 0.01 0.00 -0.13 0.00 0.00 55.73 53.83 1qha s ARG 405 Cb 0.17 -1.82 0.02 0.00 -1.56 0.00 0.00 34.95 31.76 1qha s ARG 405 CO 0.74 0.36 -0.11 -1.17 -0.81 0.00 0.00 175.30 174.31 1qha s LEU 406 N -3.17 1.53 -0.26 -0.88 2.96 -0.13 -4.99 118.68 113.73 1qha s LEU 406 Ca 0.26 -0.30 -0.07 0.00 -0.22 0.00 0.00 54.13 53.80 1qha s LEU 406 Cb -0.06 -0.83 -0.01 0.00 0.50 0.00 0.00 46.19 45.78 1qha s LEU 406 CO 0.13 -0.01 0.06 -0.13 -1.32 0.00 0.00 176.35 175.09 1qha s ARG 407 N 0.95 3.42 0.02 1.98 0.52 -1.26 0.59 118.95 125.17 1qha s ARG 407 Ca -0.09 -0.63 -0.04 0.00 -0.52 0.00 0.00 55.73 54.45 1qha s ARG 407 Cb -0.15 -3.32 -0.01 0.00 0.52 0.00 0.00 34.95 31.99 1qha s ARG 407 CO 0.00 -0.29 0.05 -0.08 0.02 0.00 0.00 175.30 175.00 1qha s THR 408 N 1.56 0.12 -0.15 0.02 -1.32 -0.47 -4.97 115.64 110.43 1qha s THR 408 Ca 0.05 -1.00 -0.04 0.00 -1.21 0.00 0.00 61.69 59.50 1qha s THR 408 Cb -0.16 -0.61 -0.03 0.00 -1.51 0.00 0.00 72.50 70.20 1qha s THR 408 CO 0.02 -0.55 -0.03 -0.89 -2.21 0.00 0.00 174.62 170.97 1qha s THR 409 N -2.01 4.01 -0.24 5.08 2.01 -0.70 -1.98 115.64 121.80 1qha s THR 409 Ca -0.10 -0.32 -0.07 0.00 0.31 0.00 0.00 61.69 61.50 1qha s THR 409 Cb -0.05 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.68 1qha s THR 409 CO -0.02 0.51 0.07 -0.69 -0.69 0.00 0.00 174.62 173.79 1qha s VAL 410 N 0.18 4.38 0.10 3.82 1.01 -0.83 -2.41 120.40 126.65 1qha s VAL 410 Ca -0.01 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 1qha s VAL 410 Cb -0.14 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.15 1qha s VAL 410 CO 0.03 0.35 1.07 -0.83 0.00 0.00 0.00 175.10 175.72 1qha s GLY 411 N 1.47 2.78 0.15 4.51 0.00 -0.71 -1.76 107.32 113.76 1qha s GLY 411 Ca 0.06 0.72 0.08 0.00 0.00 0.00 0.00 44.72 45.57 1qha s GLY 411 CO 0.04 1.72 -0.17 0.14 0.00 0.00 0.00 173.10 174.82 1qha s VAL 412 N 0.39 1.68 0.25 1.40 1.01 -0.26 -1.03 120.40 123.83 1qha s VAL 412 Ca 0.52 -1.84 -0.21 0.00 0.00 0.00 0.00 61.98 60.45 1qha s VAL 412 Cb -0.26 -1.74 0.03 0.00 0.00 0.00 0.00 36.38 34.41 1qha s VAL 412 CO 0.31 -0.33 0.68 -0.62 0.00 0.00 0.00 175.10 175.14 1qha s ASP 413 N -2.56 -0.32 0.00 3.32 -1.08 -1.01 0.60 116.67 115.62 1qha s ASP 413 Ca 0.13 -0.48 0.00 0.00 -0.52 0.00 0.00 52.55 51.68 1qha s ASP 413 Cb -0.06 0.69 0.00 0.00 -1.46 0.00 0.00 42.92 42.09 1qha s ASP 413 CO 0.05 -1.24 0.00 0.61 0.52 0.00 0.00 175.17 175.11 1qha n GLY 414 N -0.43 4.37 0.17 2.66 0.00 -1.26 -1.43 105.19 109.27 1qha n GLY 414 Ca -0.07 -1.26 -0.06 0.00 0.00 0.00 0.00 46.02 44.62 1qha n GLY 414 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1qha h SER 415 N 0.00 0.35 0.06 1.61 0.02 -1.87 -1.40 113.55 112.32 1qha h SER 415 Ca 0.00 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1qha h SER 415 Cb 0.00 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1qha h SER 415 CO 0.00 0.88 -0.03 0.25 -1.14 0.00 0.00 176.83 176.79 1qha h LEU 416 N 0.22 -0.07 -0.51 5.07 5.85 -1.83 -0.39 115.31 123.66 1qha h LEU 416 Ca -0.01 -0.35 0.10 0.00 0.84 0.00 0.00 57.88 58.47 1qha h LEU 416 Cb 1.14 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 42.10 1qha h LEU 416 CO 0.10 0.32 -0.03 0.22 -0.34 0.00 0.00 178.44 178.71 1qha h TYR 417 N -0.46 -0.08 -0.38 1.25 5.03 -1.23 -0.97 116.97 120.13 1qha h TYR 417 Ca -0.01 0.04 -0.14 0.00 2.58 0.00 0.00 58.73 61.20 1qha h TYR 417 Cb 0.41 0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.79 1qha h TYR 417 CO 0.05 -0.14 -0.33 0.87 -1.32 0.00 0.00 178.16 177.29 1qha h LYS 418 N 0.09 0.85 0.00 1.82 1.57 -1.09 -3.36 116.57 116.45 1qha h LYS 418 Ca 0.26 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1qha h LYS 418 Cb 0.39 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1qha h LYS 418 CO -0.45 1.05 -1.65 0.25 -0.57 0.00 0.00 179.45 178.08 1qha n THR 419 N -4.07 0.00 -2.27 -0.16 -2.24 -0.17 -4.98 114.28 100.38 1qha n THR 419 Ca -0.01 -0.36 -0.41 0.00 -2.27 0.00 0.00 64.05 61.00 1qha n THR 419 Cb 0.51 0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 1qha n THR 419 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1qha s HIS 420 N -3.13 3.31 -1.96 4.78 5.65 -0.40 -4.92 115.29 118.62 1qha s HIS 420 Ca -0.04 1.34 0.29 0.00 0.25 0.00 0.00 55.06 56.89 1qha s HIS 420 Cb 0.12 -3.54 1.24 0.00 -1.18 0.00 0.00 32.58 29.22 1qha s HIS 420 CO 0.73 -1.58 1.86 -0.35 -0.65 0.00 0.00 174.74 174.75 1qha n PRO 421 N 2.30 1.03 0.00 2.88 -0.04 -1.26 -3.94 135.00 135.97 1qha n PRO 421 Ca 0.04 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.08 1qha n PRO 421 Cb 0.43 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1qha n PRO 421 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1qha n GLN 422 N -0.62 2.10 0.16 0.54 1.13 -1.26 -4.94 117.38 114.50 1qha n GLN 422 Ca 0.17 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 55.09 1qha n GLN 422 Cb 0.28 -0.87 -0.07 0.00 0.11 0.00 0.00 30.24 29.69 1qha n GLN 422 CO 0.00 0.00 0.00 -0.92 -1.44 0.00 0.00 177.06 174.70 1qha h TYR 423 N 0.00 -1.03 -0.14 1.08 5.03 -1.93 -2.16 116.97 117.82 1qha h TYR 423 Ca 0.00 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.37 1qha h TYR 423 Cb 0.27 0.43 -0.04 0.00 1.55 0.00 0.00 36.73 38.93 1qha h TYR 423 CO 0.00 -0.49 -0.13 0.66 -1.32 0.00 0.00 178.16 176.88 1qha h SER 424 N -0.67 -0.40 -0.30 -2.11 4.64 -1.84 0.22 113.55 113.10 1qha h SER 424 Ca 0.01 0.08 0.06 0.00 -0.47 0.00 0.00 61.79 61.46 1qha h SER 424 Cb 0.66 0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 62.89 1qha h SER 424 CO -0.16 -0.17 -0.02 -0.09 -0.87 0.00 0.00 176.83 175.52 1qha h ARG 425 N -0.15 0.06 -0.42 4.77 2.43 -1.89 -0.78 114.38 118.41 1qha h ARG 425 Ca 0.09 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1qha h ARG 425 Cb 0.28 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1qha h ARG 425 CO -0.23 0.04 0.26 0.00 -1.51 0.00 0.00 179.97 178.54 1qha h ARG 426 N 0.06 0.52 0.27 0.20 3.08 -1.05 -1.55 114.38 115.92 1qha h ARG 426 Ca 0.15 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.17 1qha h ARG 426 Cb 0.21 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1qha h ARG 426 CO -0.27 0.34 -0.39 0.35 -1.07 0.00 0.00 179.97 178.94 1qha h PHE 427 N 0.54 -1.06 -0.71 3.04 3.57 -0.49 -1.69 116.94 120.13 1qha h PHE 427 Ca 0.16 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.77 1qha h PHE 427 Cb -0.03 0.43 -0.07 0.00 2.79 0.00 0.00 35.95 39.07 1qha h PHE 427 CO -0.06 -0.52 0.35 0.45 -2.23 0.00 0.00 178.31 176.31 1qha h HIS 428 N -0.72 0.63 -0.16 0.41 3.86 -0.75 -2.18 115.15 116.25 1qha h HIS 428 Ca -0.01 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1qha h HIS 428 Cb 0.68 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 1qha h HIS 428 CO -0.27 0.23 0.04 0.87 0.86 0.00 0.00 177.93 179.66 1qha h LYS 429 N 0.60 0.25 -0.58 2.45 1.57 -0.81 -2.27 116.57 117.78 1qha h LYS 429 Ca 0.35 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 59.14 1qha h LYS 429 Cb 0.37 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.59 1qha h LYS 429 CO -0.27 0.38 0.28 1.15 -0.57 0.00 0.00 179.45 180.42 1qha h THR 430 N 0.06 0.90 0.04 -0.16 2.02 -1.16 -2.30 112.91 112.32 1qha h THR 430 Ca 0.05 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.08 1qha h THR 430 Cb 0.24 0.34 -0.05 0.00 -1.74 0.00 0.00 68.15 66.94 1qha h THR 430 CO -0.00 0.09 -0.32 0.25 0.37 0.00 0.00 175.52 175.91 1qha h LEU 431 N 0.52 -0.95 -1.24 2.58 6.46 -1.24 0.14 115.31 121.57 1qha h LEU 431 Ca 0.27 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 58.15 1qha h LEU 431 Cb 0.23 0.38 -0.04 0.00 -0.73 0.00 0.00 40.66 40.50 1qha h LEU 431 CO -0.21 -0.39 0.48 0.03 -0.62 0.00 0.00 178.44 177.73 1qha h ARG 432 N -0.50 0.99 -0.79 1.25 3.08 -1.15 -1.05 114.38 116.21 1qha h ARG 432 Ca 0.05 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1qha h ARG 432 Cb 0.57 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 1qha h ARG 432 CO -0.24 0.67 0.39 0.00 -1.07 0.00 0.00 179.97 179.72 1qha h ARG 433 N 1.02 1.13 0.00 0.04 3.08 -0.55 -2.87 114.38 116.22 1qha h ARG 433 Ca 0.27 -0.16 -0.14 0.00 0.07 0.00 0.00 59.98 60.02 1qha h ARG 433 Cb -0.10 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.73 1qha h ARG 433 CO -0.06 0.87 -0.66 -0.07 -1.07 0.00 0.00 179.97 178.98 1qha h LEU 434 N 1.11 0.00 -6.29 3.04 4.07 -0.24 -3.40 115.31 113.60 1qha h LEU 434 Ca 0.27 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.65 1qha h LEU 434 Cb 0.10 0.00 -0.40 0.00 1.08 0.00 0.00 40.66 41.45 1qha h LEU 434 CO -0.04 0.66 -0.92 0.52 -1.08 0.00 0.00 178.44 177.59 1qha n VAL 435 N -3.46 -0.08 0.30 1.22 0.31 -0.45 -4.97 118.33 111.21 1qha n VAL 435 Ca 0.00 -4.12 0.17 0.00 -0.01 0.00 0.00 64.34 60.38 1qha n VAL 435 Cb 0.72 -1.91 0.74 0.00 -0.91 0.00 0.00 33.84 32.48 1qha n VAL 435 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1qha h PRO 436 N 4.73 0.00 -0.06 5.55 0.13 -1.74 -2.32 132.00 138.29 1qha h PRO 436 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1qha h PRO 436 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1qha h PRO 436 CO 0.52 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.04 1qha n ASP 437 N -2.93 1.47 -4.30 1.44 9.92 -1.26 -4.78 116.55 116.11 1qha n ASP 437 Ca 0.00 -1.54 -0.32 0.00 -0.53 0.00 0.00 54.79 52.40 1qha n ASP 437 Cb 0.25 -0.03 -0.16 0.00 -0.64 0.00 0.00 41.12 40.54 1qha n ASP 437 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1qha s SER 438 N -1.86 3.45 -0.30 -2.24 0.01 -0.88 -0.96 113.70 110.92 1qha s SER 438 Ca 0.37 -0.45 -0.10 0.00 1.31 0.00 0.00 55.95 57.08 1qha s SER 438 Cb 0.20 -1.32 -0.01 0.00 0.21 0.00 0.00 66.02 65.09 1qha s SER 438 CO 0.31 0.19 0.15 -1.81 0.41 0.00 0.00 173.24 172.49 1qha s ASP 439 N 0.17 5.56 -0.14 2.44 1.11 0.20 -4.91 116.67 121.09 1qha s ASP 439 Ca -0.11 -0.44 -0.03 0.00 0.18 0.00 0.00 52.55 52.14 1qha s ASP 439 Cb -0.16 -2.01 -0.03 0.00 1.07 0.00 0.00 42.92 41.80 1qha s ASP 439 CO 0.06 -0.17 -0.04 -0.69 1.18 0.00 0.00 175.17 175.52 1qha s VAL 440 N 1.63 3.88 -0.23 -1.27 1.01 -1.26 -1.37 120.40 122.79 1qha s VAL 440 Ca 0.05 -0.37 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 1qha s VAL 440 Cb -0.17 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 1qha s VAL 440 CO 0.06 0.51 0.15 -0.60 0.00 0.00 0.00 175.10 175.23 1qha s ARG 441 N 0.13 4.07 -0.18 2.72 3.52 -0.84 -5.00 118.95 123.38 1qha s ARG 441 Ca -0.01 -0.27 -0.13 0.00 -0.13 0.00 0.00 55.73 55.18 1qha s ARG 441 Cb -0.14 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.71 1qha s ARG 441 CO 0.03 0.10 0.27 -0.06 -0.81 0.00 0.00 175.30 174.83 1qha s PHE 442 N 0.92 3.43 -0.17 5.12 0.40 -1.26 -1.96 117.98 124.46 1qha s PHE 442 Ca 0.07 0.53 -0.02 0.00 -0.60 0.00 0.00 56.93 56.92 1qha s PHE 442 Cb -0.13 -2.33 -0.01 0.00 0.51 0.00 0.00 43.02 41.05 1qha s PHE 442 CO 0.03 0.20 -0.09 -1.17 0.70 0.00 0.00 175.22 174.89 1qha s LEU 443 N 0.59 2.81 -0.21 -0.37 2.96 -0.72 -4.96 118.68 118.77 1qha s LEU 443 Ca 0.15 -0.35 -0.19 0.00 -0.22 0.00 0.00 54.13 53.53 1qha s LEU 443 Cb -0.13 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 1qha s LEU 443 CO 0.03 0.08 0.53 -0.22 -1.32 0.00 0.00 176.35 175.46 1qha s LEU 444 N 0.84 4.12 -0.85 -0.68 2.96 -1.26 -1.11 118.68 122.70 1qha s LEU 444 Ca -0.03 0.66 -0.25 0.00 -0.22 0.00 0.00 54.13 54.29 1qha s LEU 444 Cb -0.15 -2.72 -0.01 0.00 0.50 0.00 0.00 46.19 43.82 1qha s LEU 444 CO 0.01 -0.22 1.73 -0.55 -1.32 0.00 0.00 176.35 176.01 1qha s SER 445 N 1.25 5.61 0.22 3.68 0.15 0.20 -4.82 113.70 119.99 1qha s SER 445 Ca 0.24 -0.63 -0.09 0.00 0.70 0.00 0.00 55.95 56.17 1qha s SER 445 Cb -0.15 -2.56 0.35 0.00 -1.71 0.00 0.00 66.02 61.95 1qha s SER 445 CO 0.09 -2.27 1.68 -0.08 1.20 0.00 0.00 173.24 173.87 1qha h GLU 446 N 11.55 0.19 -0.34 5.44 4.81 -1.94 -2.94 114.58 131.35 1qha h GLU 446 Ca 0.01 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.03 1qha h GLU 446 Cb 1.04 -0.04 -0.12 0.00 0.63 0.00 0.00 28.75 30.26 1qha h GLU 446 CO 1.27 0.13 -0.17 -1.13 -0.73 0.00 0.00 179.01 178.38 1qha n SER 447 N -5.21 2.61 -0.44 1.04 3.41 -1.26 -5.08 113.62 108.69 1qha n SER 447 Ca 0.11 -3.82 0.00 0.00 -0.26 0.00 0.00 58.87 54.90 1qha n SER 447 Cb 0.38 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 1qha n SER 447 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qha n GLY 448 N -1.10 -0.70 0.71 5.00 0.00 -1.11 -4.31 105.19 103.68 1qha n GLY 448 Ca 0.33 -1.06 0.06 0.00 0.00 0.00 0.00 46.02 45.35 1qha n GLY 448 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qha n SER 449 N -1.93 2.06 0.04 1.61 3.41 -1.26 -4.45 113.62 113.09 1qha n SER 449 Ca 0.00 -2.00 -0.11 0.00 -0.26 0.00 0.00 58.87 56.50 1qha n SER 449 Cb 0.00 -0.26 0.02 0.00 -0.26 0.00 0.00 64.21 63.71 1qha n SER 449 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1qha h GLY 450 N 5.16 0.50 0.68 5.00 0.00 -1.91 -1.89 103.07 110.62 1qha h GLY 450 Ca 0.00 -0.70 0.04 0.00 0.00 0.00 0.00 47.33 46.67 1qha h GLY 450 CO 0.00 0.62 0.08 1.70 0.00 0.00 0.00 176.54 178.94 1qha h LYS 451 N 0.31 0.19 0.06 4.80 3.64 -1.89 0.12 116.57 123.81 1qha h LYS 451 Ca -0.03 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1qha h LYS 451 Cb 1.30 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1qha h LYS 451 CO 0.13 0.12 -0.03 0.78 -2.27 0.00 0.00 179.45 178.19 1qha h GLY 452 N 0.19 -0.08 0.92 5.01 0.00 -1.71 -0.13 103.07 107.27 1qha h GLY 452 Ca 0.14 0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.52 1qha h GLY 452 CO -0.17 -0.03 0.55 0.00 0.00 0.00 0.00 176.54 176.89 1qha h ALA 453 N 0.58 1.10 -0.92 3.60 0.00 -1.04 0.12 119.26 122.70 1qha h ALA 453 Ca -0.01 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.98 1qha h ALA 453 Cb 0.30 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1qha h ALA 453 CO 0.01 0.42 0.59 0.00 0.00 0.00 0.00 179.25 180.27 1qha h ALA 454 N 1.34 1.66 -0.04 0.00 0.00 -0.75 0.10 119.26 121.57 1qha h ALA 454 Ca 0.33 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1qha h ALA 454 Cb -0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1qha h ALA 454 CO -0.10 0.12 -0.42 0.52 0.00 0.00 0.00 179.25 179.37 1qha h MET 455 N 0.86 0.09 0.15 0.00 2.86 0.11 -1.59 114.93 117.41 1qha h MET 455 Ca 0.45 -0.04 -0.29 0.00 -2.06 0.00 0.00 59.70 57.75 1qha h MET 455 Cb 0.53 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.20 1qha h MET 455 CO -0.21 0.50 -1.35 0.28 1.06 0.00 0.00 176.91 177.18 1qha h VAL 456 N 0.08 1.38 -0.38 -2.22 2.07 -0.45 -3.19 116.25 113.54 1qha h VAL 456 Ca 0.00 -2.94 0.00 0.00 0.82 0.00 0.00 66.70 64.59 1qha h VAL 456 Cb 0.78 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 33.45 1qha h VAL 456 CO 0.06 0.86 0.25 0.74 0.02 0.00 0.00 177.57 179.50 1qha h THR 457 N 0.09 1.10 -0.37 2.57 2.02 -0.63 -0.50 112.91 117.18 1qha h THR 457 Ca -0.18 -0.20 -0.11 0.00 0.77 0.00 0.00 66.41 66.69 1qha h THR 457 Cb 2.02 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 1qha h THR 457 CO 0.21 0.10 -0.21 0.00 0.37 0.00 0.00 175.52 175.99 1qha h ALA 458 N 1.75 0.53 -0.17 6.16 0.00 -1.32 -1.66 119.26 124.55 1qha h ALA 458 Ca 0.14 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1qha h ALA 458 Cb -0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1qha h ALA 458 CO -0.03 0.49 -0.29 0.28 0.00 0.00 0.00 179.25 179.70 1qha h VAL 459 N 0.60 1.35 -0.84 0.00 2.07 -1.38 -2.45 116.25 115.59 1qha h VAL 459 Ca 0.08 -1.52 0.09 0.00 0.82 0.00 0.00 66.70 66.17 1qha h VAL 459 Cb 0.77 1.90 -0.07 0.00 -1.52 0.00 0.00 31.29 32.37 1qha h VAL 459 CO 0.06 0.46 0.49 0.00 0.02 0.00 0.00 177.57 178.61 1qha h ALA 460 N 0.59 1.19 0.00 1.67 0.00 -1.12 -1.91 119.26 119.69 1qha h ALA 460 Ca 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1qha h ALA 460 Cb 0.88 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1qha h ALA 460 CO 0.07 0.14 -0.00 -0.92 0.00 0.00 0.00 179.25 178.54 1qha h TYR 461 N 0.84 -0.00 -0.17 0.00 3.20 -1.27 0.52 116.97 120.09 1qha h TYR 461 Ca 0.40 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.31 1qha h TYR 461 Cb 0.33 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1qha h TYR 461 CO -0.05 0.14 0.12 0.07 -1.64 0.00 0.00 178.16 176.80 1qha h ARG 462 N -0.15 0.04 0.16 1.82 0.11 -0.88 -2.85 114.38 112.63 1qha h ARG 462 Ca -0.00 -0.00 -0.29 0.00 0.10 0.00 0.00 59.98 59.79 1qha h ARG 462 Cb 0.15 -0.01 0.03 0.00 1.11 0.00 0.00 29.97 31.25 1qha h ARG 462 CO 0.00 0.03 -1.22 1.25 0.10 0.00 0.00 179.97 180.13 1qha h LEU 463 N 0.04 0.80 -1.82 0.08 6.46 -0.99 -2.82 115.31 117.06 1qha h LEU 463 Ca 0.08 -0.87 -0.03 0.00 -0.12 0.00 0.00 57.88 56.94 1qha h LEU 463 Cb 0.26 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1qha h LEU 463 CO -0.01 1.59 -0.13 0.00 -0.62 0.00 0.00 178.44 179.28 1qha h ALA 464 N 0.21 1.65 -0.14 1.25 0.00 -0.78 -0.10 119.26 121.35 1qha h ALA 464 Ca -0.20 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1qha h ALA 464 Cb 1.92 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 1qha h ALA 464 CO 0.23 0.16 -0.18 0.93 0.00 0.00 0.00 179.25 180.39 1qha h GLU 465 N 0.00 0.37 -0.56 0.00 4.39 -1.39 0.64 114.58 118.04 1qha h GLU 465 Ca -0.00 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.45 1qha h GLU 465 Cb 0.25 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 1qha h GLU 465 CO 0.02 0.79 0.19 0.37 -1.16 0.00 0.00 179.01 179.21 1qha h GLN 466 N -0.01 0.82 -0.36 2.33 4.15 -1.33 0.20 115.11 120.91 1qha h GLN 466 Ca 0.02 -0.14 -0.10 0.00 0.77 0.00 0.00 58.65 59.20 1qha h GLN 466 Cb 0.74 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1qha h GLN 466 CO 0.04 0.70 -0.15 0.45 -1.93 0.00 0.00 178.83 177.94 1qha h HIS 467 N 0.81 0.84 -0.84 3.99 3.86 -0.41 -1.44 115.15 121.96 1qha h HIS 467 Ca 0.19 -0.20 0.13 0.00 -1.16 0.00 0.00 60.37 59.33 1qha h HIS 467 Cb 0.21 -0.20 -0.09 0.00 1.06 0.00 0.00 27.41 28.39 1qha h HIS 467 CO 0.01 0.92 0.44 -0.09 0.86 0.00 0.00 177.93 180.08 1qha h ARG 468 N 0.52 0.64 -0.01 2.45 2.43 0.21 -2.61 114.38 118.02 1qha h ARG 468 Ca 0.08 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 59.01 1qha h ARG 468 Cb 0.69 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1qha h ARG 468 CO 0.05 0.43 -0.87 1.96 -1.51 0.00 0.00 179.97 180.02 1qha h GLN 469 N 0.66 0.33 -0.45 0.20 4.20 -0.05 -2.83 115.11 117.17 1qha h GLN 469 Ca 0.44 -0.34 -0.11 0.00 0.06 0.00 0.00 58.65 58.70 1qha h GLN 469 Cb 0.57 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1qha h GLN 469 CO -0.33 1.02 -0.17 0.82 -0.67 0.00 0.00 178.83 179.50 1qha h ILE 470 N 0.20 1.27 -0.34 2.54 2.04 -1.21 -2.64 117.51 119.36 1qha h ILE 470 Ca -0.06 -1.28 -0.09 0.00 1.00 0.00 0.00 64.86 64.43 1qha h ILE 470 Cb 1.49 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 1qha h ILE 470 CO 0.14 0.44 -0.17 -0.33 0.00 0.00 0.00 178.15 178.23 1qha h GLU 471 N 0.76 0.63 -0.27 2.37 4.39 -1.46 0.87 114.58 121.86 1qha h GLU 471 Ca 0.11 -0.22 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 1qha h GLU 471 Cb 0.69 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1qha h GLU 471 CO 0.05 0.77 -0.18 0.93 -1.16 0.00 0.00 179.01 179.42 1qha h GLU 472 N 0.57 0.60 -0.29 2.33 5.08 -1.39 -0.13 114.58 121.35 1qha h GLU 472 Ca 0.09 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1qha h GLU 472 Cb 0.62 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1qha h GLU 472 CO 0.04 0.87 0.18 1.15 -1.00 0.00 0.00 179.01 180.25 1qha h THR 473 N 0.33 1.05 0.00 1.13 2.02 -1.10 -3.18 112.91 113.16 1qha h THR 473 Ca 0.05 -0.12 -0.09 0.00 0.77 0.00 0.00 66.41 67.01 1qha h THR 473 Cb 0.72 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1qha h THR 473 CO 0.05 0.07 -0.45 -0.07 0.37 0.00 0.00 175.52 175.48 1qha h LEU 474 N 0.36 0.00 -1.02 2.58 3.38 -0.63 -2.71 115.31 117.28 1qha h LEU 474 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1qha h LEU 474 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1qha h LEU 474 CO -0.04 0.45 0.00 0.00 0.09 0.00 0.00 178.44 178.94 1qha h ALA 475 N 1.55 1.00 0.00 1.53 0.00 -1.00 -1.08 119.26 121.26 1qha h ALA 475 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qha h ALA 475 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1qha h ALA 475 CO 0.06 0.00 0.00 0.72 0.00 0.00 0.00 179.25 180.03 1qha n HIS 476 N -2.32 0.68 1.16 0.00 8.25 -1.02 -2.14 115.22 119.84 1qha n HIS 476 Ca 0.01 0.28 0.12 0.00 -0.26 0.00 0.00 57.72 57.88 1qha n HIS 476 Cb 0.17 -0.96 0.23 0.00 1.12 0.00 0.00 29.99 30.55 1qha n HIS 476 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1qha n PHE 477 N -2.13 0.00 -2.99 4.41 3.01 -0.41 -4.90 117.46 114.44 1qha n PHE 477 Ca 0.02 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.07 1qha n PHE 477 Cb 0.18 -0.02 -0.05 0.00 -0.01 0.00 0.00 39.48 39.58 1qha n PHE 477 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 1qha s HIS 478 N -2.21 3.47 -0.11 1.38 2.46 -0.91 -4.76 115.29 114.61 1qha s HIS 478 Ca 0.27 1.19 0.00 0.00 0.47 0.00 0.00 55.06 57.00 1qha s HIS 478 Cb 0.20 -2.89 -0.02 0.00 -0.13 0.00 0.00 32.58 29.73 1qha s HIS 478 CO 0.42 -0.10 -0.12 -0.51 -2.47 0.00 0.00 174.74 171.95 1qha s LEU 479 N 1.60 2.82 0.51 8.88 1.43 -1.26 -5.09 118.68 127.57 1qha s LEU 479 Ca 0.36 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1qha s LEU 479 Cb -0.17 -1.62 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 1qha s LEU 479 CO 0.14 0.23 0.77 0.28 0.23 0.00 0.00 176.35 178.00 1qha s THR 480 N -0.03 3.94 0.10 5.49 -1.32 -1.26 -4.90 115.64 117.66 1qha s THR 480 Ca -0.02 -0.24 -0.20 0.00 -1.21 0.00 0.00 61.69 60.01 1qha s THR 480 Cb -0.14 -3.50 -0.05 0.00 -1.51 0.00 0.00 72.50 67.31 1qha s THR 480 CO 0.04 -0.43 1.22 1.17 -2.21 0.00 0.00 174.62 174.41 1qha n LYS 481 N -2.29 -0.29 -0.17 7.08 4.81 -1.26 0.33 118.16 126.37 1qha n LYS 481 Ca 0.03 1.20 0.15 0.00 -0.87 0.00 0.00 58.31 58.82 1qha n LYS 481 Cb 0.57 -1.77 0.50 0.00 0.02 0.00 0.00 35.03 34.35 1qha n LYS 481 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1qha h ASP 482 N 0.00 0.40 -0.45 3.14 3.32 -1.99 0.25 116.42 121.09 1qha h ASP 482 Ca 0.10 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.05 1qha h ASP 482 Cb 0.27 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1qha h ASP 482 CO -0.61 0.21 -0.22 0.24 -1.72 0.00 0.00 179.24 177.13 1qha h MET 483 N 0.43 0.95 0.00 3.56 2.86 0.49 -2.84 114.93 120.38 1qha h MET 483 Ca 0.37 -0.42 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 1qha h MET 483 Cb 0.84 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 1qha h MET 483 CO -0.12 1.08 -0.53 -0.07 1.06 0.00 0.00 176.91 178.33 1qha h LEU 484 N 0.79 0.00 -0.46 1.22 3.38 0.90 -1.62 115.31 119.53 1qha h LEU 484 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1qha h LEU 484 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1qha h LEU 484 CO 0.07 0.53 0.00 -0.07 0.09 0.00 0.00 178.44 179.06 1qha h LEU 485 N 0.00 0.00 0.01 1.67 3.38 -0.36 -2.15 115.31 117.86 1qha h LEU 485 Ca -0.01 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1qha h LEU 485 Cb 1.23 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 1qha h LEU 485 CO 0.07 0.00 -1.21 -0.08 0.09 0.00 0.00 178.44 177.31 1qha h GLU 486 N 0.00 0.02 -0.19 1.13 4.57 -1.14 -2.21 114.58 116.76 1qha h GLU 486 Ca 0.00 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.00 1qha h GLU 486 Cb 0.85 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 1qha h GLU 486 CO 0.00 0.88 -0.49 0.28 -1.18 0.00 0.00 179.01 178.50 1qha h VAL 487 N 0.00 1.32 -0.41 0.32 2.07 -1.29 0.34 116.25 118.60 1qha h VAL 487 Ca -0.09 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.70 1qha h VAL 487 Cb 1.85 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 33.50 1qha h VAL 487 CO 0.12 0.54 0.23 0.50 0.02 0.00 0.00 177.57 178.97 1qha h LYS 488 N 0.36 0.57 -0.61 1.57 3.64 -1.39 0.99 116.57 121.70 1qha h LYS 488 Ca -0.01 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1qha h LYS 488 Cb 1.10 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 1qha h LYS 488 CO 0.11 0.46 0.23 -0.22 -2.27 0.00 0.00 179.45 177.75 1qha h LYS 489 N 0.53 0.92 -0.69 1.90 3.64 -1.28 -0.96 116.57 120.63 1qha h LYS 489 Ca 0.14 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 1qha h LYS 489 Cb 0.05 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 1qha h LYS 489 CO -0.02 0.79 0.16 0.00 -2.27 0.00 0.00 179.45 178.11 1qha h ARG 490 N 0.86 1.11 -0.40 1.90 3.08 0.30 -2.07 114.38 119.15 1qha h ARG 490 Ca 0.20 -0.27 0.04 0.00 0.07 0.00 0.00 59.98 60.03 1qha h ARG 490 Cb 0.23 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 1qha h ARG 490 CO -0.01 0.98 0.16 1.98 -1.07 0.00 0.00 179.97 182.01 1qha h MET 491 N 1.04 0.32 -0.55 0.04 4.05 -0.25 -1.89 114.93 117.69 1qha h MET 491 Ca 0.22 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.66 1qha h MET 491 Cb 0.38 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.07 1qha h MET 491 CO 0.00 0.21 0.37 0.00 0.23 0.00 0.00 176.91 177.72 1qha h ARG 492 N 0.33 0.56 0.00 0.39 2.47 -1.06 -1.29 114.38 115.78 1qha h ARG 492 Ca 0.18 -0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 58.79 1qha h ARG 492 Cb 0.14 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 1qha h ARG 492 CO -0.17 0.37 -0.39 0.00 0.56 0.00 0.00 179.97 180.35 1qha h ALA 493 N 1.69 0.83 0.22 0.04 0.00 -0.64 -3.13 119.26 118.27 1qha h ALA 493 Ca 0.23 -0.35 -0.33 0.00 0.00 0.00 0.00 54.91 54.46 1qha h ALA 493 Cb 0.19 -0.06 0.04 0.00 0.00 0.00 0.00 17.79 17.96 1qha h ALA 493 CO -0.06 0.48 -1.42 0.93 0.00 0.00 0.00 179.25 179.18 1qha h GLU 494 N 0.00 0.55 -0.62 0.00 4.39 -0.86 -2.44 114.58 115.60 1qha h GLU 494 Ca -0.00 -0.89 0.01 0.00 0.34 0.00 0.00 59.36 58.82 1qha h GLU 494 Cb 1.12 0.32 -0.03 0.00 -0.10 0.00 0.00 28.75 30.06 1qha h GLU 494 CO 0.05 1.42 0.40 0.52 -1.16 0.00 0.00 179.01 180.24 1qha h MET 495 N 0.17 0.78 -0.03 2.33 2.86 -1.34 -2.17 114.93 117.53 1qha h MET 495 Ca -0.24 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.29 1qha h MET 495 Cb 2.11 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 33.59 1qha h MET 495 CO 0.27 0.52 -0.30 0.93 1.06 0.00 0.00 176.91 179.38 1qha h GLU 496 N 0.80 0.05 0.00 1.72 3.07 -1.54 -1.60 114.58 117.08 1qha h GLU 496 Ca 0.24 -0.01 -0.13 0.00 -0.50 0.00 0.00 59.36 58.95 1qha h GLU 496 Cb -0.05 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 1qha h GLU 496 CO -0.07 0.35 -0.64 1.37 -1.40 0.00 0.00 179.01 178.62 1qha h LEU 497 N 0.04 0.00 -0.48 1.33 -0.00 -1.17 -3.14 115.31 111.90 1qha h LEU 497 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.72 1qha h LEU 497 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.21 1qha h LEU 497 CO 0.04 0.64 -0.74 1.23 -0.00 0.00 0.00 178.44 179.60 1qha h GLY 498 N 2.93 0.19 1.18 0.17 0.00 -0.96 -3.17 103.07 103.40 1qha h GLY 498 Ca -0.01 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 46.90 1qha h GLY 498 CO 0.08 0.26 -0.26 1.41 0.00 0.00 0.00 176.54 178.03 1qha h LEU 499 N 0.11 0.96 -9.83 3.11 3.38 -1.36 -3.43 115.31 108.26 1qha h LEU 499 Ca -0.02 -0.38 -0.49 0.00 0.09 0.00 0.00 57.88 57.08 1qha h LEU 499 Cb 1.31 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1qha h LEU 499 CO 0.11 1.16 0.30 -0.13 0.09 0.00 0.00 178.44 179.98 1qha s ARG 500 N -4.58 4.62 0.24 1.13 0.52 -1.19 -2.98 118.95 116.70 1qha s ARG 500 Ca -0.11 1.30 -0.07 0.00 -0.52 0.00 0.00 55.73 56.34 1qha s ARG 500 Cb 0.12 -2.98 0.22 0.00 0.52 0.00 0.00 34.95 32.83 1qha s ARG 500 CO 0.87 0.39 1.87 -0.22 0.02 0.00 0.00 175.30 178.22 1qha h LYS 501 N 3.57 1.27 -0.19 3.54 3.64 -1.87 -2.13 116.57 124.40 1qha h LYS 501 Ca -0.46 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 58.67 1qha h LYS 501 Cb 1.20 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1qha h LYS 501 CO 0.66 0.92 -0.31 0.37 -2.27 0.00 0.00 179.45 178.81 1qha h GLN 502 N 1.28 0.56 -0.01 1.90 4.15 -1.94 -3.27 115.11 117.78 1qha h GLN 502 Ca 0.33 -0.34 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1qha h GLN 502 Cb -0.00 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.72 1qha h GLN 502 CO -0.06 0.94 -0.21 0.25 -1.93 0.00 0.00 178.83 177.83 1qha n THR 503 N -4.33 0.00 -0.06 2.39 -2.24 -1.18 -4.63 114.28 104.23 1qha n THR 503 Ca -0.06 -0.20 -0.12 0.00 -2.27 0.00 0.00 64.05 61.41 1qha n THR 503 Cb 0.48 0.60 -0.06 0.00 -2.10 0.00 0.00 70.33 69.25 1qha n THR 503 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1qha h HIS 504 N 1.85 0.34 -0.52 4.78 -0.00 -1.40 -2.01 115.15 118.18 1qha h HIS 504 Ca 0.00 -0.06 0.10 0.00 -0.00 0.00 0.00 60.37 60.41 1qha h HIS 504 Cb 0.57 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 27.86 1qha h HIS 504 CO 0.00 0.52 0.35 -0.91 -0.00 0.00 0.00 177.93 177.89 1qha h ASN 505 N 0.06 0.26 0.78 3.26 -0.26 -1.83 -2.30 115.58 115.54 1qha h ASN 505 Ca 0.05 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.79 1qha h ASN 505 Cb 0.39 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.60 1qha h ASN 505 CO 0.01 0.16 -1.01 0.59 -1.06 0.00 0.00 177.43 176.12 1qha n ASN 506 N -4.46 0.71 -4.70 5.81 3.02 -1.06 -4.92 115.26 109.66 1qha n ASN 506 Ca 0.08 0.15 -0.39 0.00 -0.03 0.00 0.00 54.58 54.40 1qha n ASN 506 Cb 0.38 0.58 0.04 0.00 -0.61 0.00 0.00 39.78 40.17 1qha n ASN 506 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qha n ALA 507 N -2.04 1.14 -0.01 5.41 0.00 -0.78 -4.98 120.51 119.24 1qha n ALA 507 Ca 0.01 0.12 -0.01 0.00 0.00 0.00 0.00 53.44 53.56 1qha n ALA 507 Cb 0.51 -2.27 -0.12 0.00 0.00 0.00 0.00 19.45 17.56 1qha n ALA 507 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1qha n VAL 508 N -1.08 1.07 -3.49 0.00 0.24 -1.26 -4.68 118.33 109.14 1qha n VAL 508 Ca 0.11 -0.71 -0.42 0.00 -2.04 0.00 0.00 64.34 61.27 1qha n VAL 508 Cb 0.44 -0.57 -0.07 0.00 -1.47 0.00 0.00 33.84 32.17 1qha n VAL 508 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1qha s VAL 509 N -2.89 4.56 -1.22 3.34 1.01 -1.26 -4.57 120.40 119.36 1qha s VAL 509 Ca -0.06 -1.89 0.13 0.00 0.00 0.00 0.00 61.98 60.16 1qha s VAL 509 Cb 0.09 -3.96 0.17 0.00 0.00 0.00 0.00 36.38 32.68 1qha s VAL 509 CO 0.83 -0.83 1.37 0.29 0.00 0.00 0.00 175.10 176.76 1qha n LYS 510 N 4.77 0.10 -3.97 2.72 4.76 -1.20 -3.96 118.16 121.38 1qha n LYS 510 Ca -0.06 0.22 -0.40 0.00 -2.87 0.00 0.00 58.31 55.21 1qha n LYS 510 Cb 0.41 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.12 1qha n LYS 510 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1qha n MET 511 N -1.39 -0.80 -2.86 1.97 2.81 -1.03 -4.67 117.12 111.16 1qha n MET 511 Ca 0.05 0.21 -0.40 0.00 -1.81 0.00 0.00 57.70 55.74 1qha n MET 511 Cb 0.13 -3.22 -0.05 0.00 -0.71 0.00 0.00 33.22 29.36 1qha n MET 511 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1qha s LEU 512 N -7.13 4.48 0.13 4.03 1.43 -0.42 -4.79 118.68 116.42 1qha s LEU 512 Ca 0.42 1.63 -0.30 0.00 -1.03 0.00 0.00 54.13 54.84 1qha s LEU 512 Cb -0.20 -3.41 -0.07 0.00 0.03 0.00 0.00 46.19 42.54 1qha s LEU 512 CO 0.94 -0.01 1.13 -2.16 0.23 0.00 0.00 176.35 176.47 1qha s PRO 513 N -0.09 4.53 0.00 1.29 0.04 -1.26 0.02 135.00 139.53 1qha s PRO 513 Ca 0.42 1.73 0.20 0.00 0.04 0.00 0.00 61.00 63.40 1qha s PRO 513 Cb -0.22 -3.30 0.05 0.00 0.04 0.00 0.00 34.50 31.07 1qha s PRO 513 CO 0.26 -0.05 1.05 -1.13 0.04 0.00 0.00 177.00 177.18 1qha n SER 514 N 2.92 2.16 -1.58 6.66 3.41 -0.86 -4.50 113.62 121.83 1qha n SER 514 Ca 0.05 -1.58 -0.20 0.00 -0.26 0.00 0.00 58.87 56.88 1qha n SER 514 Cb 0.46 0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 64.65 1qha n SER 514 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1qha n PHE 515 N 0.35 -0.04 -3.72 7.33 3.01 -1.26 -4.66 117.46 118.47 1qha n PHE 515 Ca 0.10 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.19 1qha n PHE 515 Cb 0.45 -3.39 -0.11 0.00 -0.01 0.00 0.00 39.48 36.41 1qha n PHE 515 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1qha s VAL 516 N -2.76 4.79 -1.13 -4.37 1.01 -1.26 -4.78 120.40 111.90 1qha s VAL 516 Ca 0.00 -0.01 0.17 0.00 0.00 0.00 0.00 61.98 62.14 1qha s VAL 516 Cb 0.00 -3.25 -0.11 0.00 0.00 0.00 0.00 36.38 33.02 1qha s VAL 516 CO 0.00 0.32 0.80 0.54 0.00 0.00 0.00 175.10 176.76 1qha n ARG 517 N 4.78 1.49 -3.65 2.72 1.74 -1.26 -1.31 116.66 121.17 1qha n ARG 517 Ca -0.15 -0.35 -0.10 0.00 -0.77 0.00 0.00 57.85 56.48 1qha n ARG 517 Cb 0.52 -1.31 -0.03 0.00 -1.02 0.00 0.00 32.46 30.62 1qha n ARG 517 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1qha s ARG 518 N -2.38 1.36 0.90 5.56 1.70 -1.26 -4.41 118.95 120.42 1qha s ARG 518 Ca 0.10 -0.75 -0.12 0.00 -0.47 0.00 0.00 55.73 54.49 1qha s ARG 518 Cb 0.13 0.54 0.13 0.00 -0.57 0.00 0.00 34.95 35.19 1qha s ARG 518 CO 0.59 -0.58 1.12 0.95 -1.08 0.00 0.00 175.30 176.30 1qha s THR 519 N -3.84 2.32 0.24 4.99 -4.23 -1.26 -4.95 115.64 108.91 1qha s THR 519 Ca 0.06 0.10 -0.30 0.00 -1.18 0.00 0.00 61.69 60.37 1qha s THR 519 Cb -0.01 -2.79 -0.10 0.00 1.34 0.00 0.00 72.50 70.93 1qha s THR 519 CO -0.06 -0.14 1.51 -2.84 -0.54 0.00 0.00 174.62 172.56 1qha s PRO 520 N -5.17 4.22 -0.05 3.99 0.02 -1.26 -4.94 135.00 131.80 1qha s PRO 520 Ca 0.63 2.39 0.16 0.00 0.02 0.00 0.00 61.00 64.20 1qha s PRO 520 Cb -0.16 -3.10 0.51 0.00 0.02 0.00 0.00 34.50 31.78 1qha s PRO 520 CO 0.54 -0.52 1.43 -0.40 -0.33 0.00 0.00 177.00 177.73 1qha n ASP 521 N 2.70 3.74 0.00 2.53 5.75 -1.26 -4.97 116.55 125.05 1qha n ASP 521 Ca 0.09 -2.25 0.00 0.00 -0.01 0.00 0.00 54.79 52.61 1qha n ASP 521 Cb 0.39 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1qha n ASP 521 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qha n GLY 522 N 0.76 0.96 0.05 6.12 0.00 -1.26 -4.87 105.19 106.95 1qha n GLY 522 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1qha n GLY 522 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qha n THR 523 N -2.04 0.23 -1.65 2.61 -2.24 -1.26 -4.43 114.28 105.49 1qha n THR 523 Ca 0.00 -0.45 -0.46 0.00 -2.27 0.00 0.00 64.05 60.87 1qha n THR 523 Cb 0.00 -0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.17 1qha n THR 523 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qha n GLU 524 N -2.31 1.87 -3.65 -0.78 4.71 -1.26 -4.85 120.64 114.38 1qha n GLU 524 Ca -0.01 0.67 -0.10 0.00 -0.01 0.00 0.00 57.16 57.71 1qha n GLU 524 Cb 0.53 -2.34 -0.08 0.00 -1.01 0.00 0.00 31.44 28.55 1qha n GLU 524 CO 0.00 0.00 0.00 1.21 0.09 0.00 0.00 177.13 178.43 1qha s ASN 525 N 0.46 -0.82 0.00 1.62 3.84 -1.26 -3.58 114.94 115.19 1qha s ASN 525 Ca 0.74 1.40 0.00 0.00 0.21 0.00 0.00 52.86 55.20 1qha s ASN 525 Cb -0.71 1.32 0.00 0.00 -0.55 0.00 0.00 41.25 41.30 1qha s ASN 525 CO 0.46 -0.23 0.00 0.61 -2.79 0.00 0.00 177.10 175.15 1qha n GLY 526 N 3.80 -0.21 3.01 1.21 0.00 -0.74 -4.97 105.19 107.29 1qha n GLY 526 Ca -0.18 -1.67 -0.31 0.00 0.00 0.00 0.00 46.02 43.86 1qha n GLY 526 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qha s ASP 527 N -2.19 3.40 0.16 1.61 1.11 -1.26 -0.82 116.67 118.68 1qha s ASP 527 Ca 0.00 -0.87 0.10 0.00 0.18 0.00 0.00 52.55 51.96 1qha s ASP 527 Cb 0.00 -1.28 -0.04 0.00 1.07 0.00 0.00 42.92 42.67 1qha s ASP 527 CO 0.00 -0.13 -0.23 -0.36 1.18 0.00 0.00 175.17 175.63 1qha s PHE 528 N 1.37 2.13 0.25 4.23 0.08 -0.23 -4.68 117.98 121.13 1qha s PHE 528 Ca -0.01 -0.39 -0.08 0.00 0.12 0.00 0.00 56.93 56.57 1qha s PHE 528 Cb -0.16 -1.09 -0.07 0.00 -0.57 0.00 0.00 43.02 41.14 1qha s PHE 528 CO -0.09 0.40 0.55 -0.51 -0.10 0.00 0.00 175.22 175.47 1qha s LEU 529 N -2.47 4.13 0.04 -0.37 1.02 -0.56 -0.86 118.68 119.62 1qha s LEU 529 Ca 0.17 0.86 -0.03 0.00 0.02 0.00 0.00 54.13 55.14 1qha s LEU 529 Cb -0.08 -3.64 -0.02 0.00 0.02 0.00 0.00 46.19 42.47 1qha s LEU 529 CO 0.08 -0.11 0.04 0.00 0.02 0.00 0.00 176.35 176.38 1qha s ALA 530 N -1.90 0.16 0.04 4.21 0.00 0.13 -0.45 121.76 123.96 1qha s ALA 530 Ca 0.46 -0.81 0.09 0.00 0.00 0.00 0.00 51.96 51.71 1qha s ALA 530 Cb -0.11 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 1qha s ALA 530 CO 0.24 -0.33 -0.26 -0.51 0.00 0.00 0.00 175.76 174.89 1qha s LEU 531 N -2.40 2.17 -0.36 0.00 1.02 -0.28 -1.26 118.68 117.56 1qha s LEU 531 Ca -0.01 -0.59 0.02 0.00 0.02 0.00 0.00 54.13 53.56 1qha s LEU 531 Cb 0.02 -1.29 0.11 0.00 0.02 0.00 0.00 46.19 45.05 1qha s LEU 531 CO -0.07 0.26 0.12 -0.62 0.02 0.00 0.00 176.35 176.07 1qha s ASP 532 N -1.24 4.19 -0.09 2.29 -1.08 -0.54 -1.22 116.67 118.98 1qha s ASP 532 Ca 0.12 -2.09 0.02 0.00 -0.52 0.00 0.00 52.55 50.07 1qha s ASP 532 Cb -0.10 -1.18 0.01 0.00 -1.46 0.00 0.00 42.92 40.20 1qha s ASP 532 CO 0.02 -0.36 -0.13 -0.22 0.52 0.00 0.00 175.17 175.00 1qha s LEU 533 N 1.01 1.63 0.00 -1.34 2.96 -0.69 -2.00 118.68 120.25 1qha s LEU 533 Ca 0.12 -0.36 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 1qha s LEU 533 Cb -0.20 -0.96 0.00 0.00 0.50 0.00 0.00 46.19 45.53 1qha s LEU 533 CO -0.13 0.01 0.00 0.61 -1.32 0.00 0.00 176.35 175.52 1qha n GLY 534 N 4.13 1.47 0.00 7.98 0.00 -1.26 -1.11 105.19 116.39 1qha n GLY 534 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1qha n GLY 534 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qha n GLY 535 N 0.00 1.58 0.13 -0.02 0.00 -1.26 -4.90 105.19 100.73 1qha n GLY 535 Ca 0.00 -1.86 -0.03 0.00 0.00 0.00 0.00 46.02 44.13 1qha n GLY 535 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1qha h THR 536 N 0.00 1.47 -4.18 2.61 1.35 -2.00 -3.42 112.91 108.74 1qha h THR 536 Ca 0.00 -2.26 -0.53 0.00 -0.55 0.00 0.00 66.41 63.07 1qha h THR 536 Cb 0.00 2.21 -0.27 0.00 -1.73 0.00 0.00 68.15 68.36 1qha h THR 536 CO 0.00 0.65 -0.82 0.20 -0.25 0.00 0.00 175.52 175.30 1qha s ASN 537 N -6.85 2.08 0.08 5.36 0.01 -1.26 -5.12 114.94 109.25 1qha s ASN 537 Ca -0.02 -0.43 -0.29 0.00 -0.71 0.00 0.00 52.86 51.42 1qha s ASN 537 Cb 0.12 -0.18 -0.05 0.00 0.41 0.00 0.00 41.25 41.54 1qha s ASN 537 CO 0.78 0.14 0.91 0.12 -1.51 0.00 0.00 177.10 177.54 1qha s PHE 538 N -0.67 3.78 0.14 2.20 5.36 -1.26 -4.78 117.98 122.75 1qha s PHE 538 Ca 0.05 1.71 0.05 0.00 -0.96 0.00 0.00 56.93 57.78 1qha s PHE 538 Cb -0.08 -3.00 -0.04 0.00 -0.34 0.00 0.00 43.02 39.56 1qha s PHE 538 CO 0.01 0.21 -0.12 1.03 -1.46 0.00 0.00 175.22 174.88 1qha s ARG 539 N 0.07 1.07 -0.11 10.12 0.52 -0.85 -2.12 118.95 127.65 1qha s ARG 539 Ca 0.45 -1.37 0.02 0.00 -0.52 0.00 0.00 55.73 54.31 1qha s ARG 539 Cb -0.22 -0.79 -0.01 0.00 0.52 0.00 0.00 34.95 34.45 1qha s ARG 539 CO 0.28 0.13 -0.17 0.08 0.02 0.00 0.00 175.30 175.63 1qha s VAL 540 N -2.76 2.71 0.09 3.52 1.01 -1.14 -1.47 120.40 122.35 1qha s VAL 540 Ca 0.14 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1qha s VAL 540 Cb -0.01 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 1qha s VAL 540 CO 0.02 0.54 -0.09 -0.76 0.00 0.00 0.00 175.10 174.82 1qha s LEU 541 N 0.19 2.40 -0.14 3.92 1.02 -0.39 -2.84 118.68 122.83 1qha s LEU 541 Ca -0.10 -0.80 -0.01 0.00 0.02 0.00 0.00 54.13 53.24 1qha s LEU 541 Cb -0.16 -0.25 0.04 0.00 0.02 0.00 0.00 46.19 45.84 1qha s LEU 541 CO 0.06 -0.28 -0.03 -0.22 0.02 0.00 0.00 176.35 175.89 1qha s LEU 542 N -2.39 1.27 -0.11 1.79 2.96 -0.89 -0.69 118.68 120.62 1qha s LEU 542 Ca 0.04 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.47 1qha s LEU 542 Cb -0.03 -0.76 -0.00 0.00 0.50 0.00 0.00 46.19 45.90 1qha s LEU 542 CO -0.01 -0.19 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.92 1qha s VAL 543 N 1.75 2.21 -0.26 1.68 1.01 -0.04 -1.73 120.40 125.01 1qha s VAL 543 Ca 0.02 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 1qha s VAL 543 Cb -0.14 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.37 1qha s VAL 543 CO -0.07 0.55 0.03 -0.54 0.00 0.00 0.00 175.10 175.07 1qha s LYS 544 N 0.45 3.23 -0.07 2.72 1.02 0.11 -1.07 119.74 126.13 1qha s LYS 544 Ca -0.15 -0.74 0.04 0.00 0.02 0.00 0.00 55.97 55.13 1qha s LYS 544 Cb -0.17 -3.22 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 1qha s LYS 544 CO 0.06 -0.33 -0.17 0.42 -0.92 0.00 0.00 175.35 174.42 1qha s ILE 545 N 1.49 2.82 -0.12 2.17 1.01 0.00 -0.31 121.20 128.26 1qha s ILE 545 Ca 0.04 -0.80 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 1qha s ILE 545 Cb -0.16 -2.10 0.03 0.00 0.01 0.00 0.00 42.46 40.24 1qha s ILE 545 CO 0.00 0.57 -0.03 -0.13 0.00 0.00 0.00 174.94 175.35 1qha s ARG 546 N -0.39 1.12 0.93 2.79 1.81 -0.45 -1.80 118.95 122.96 1qha s ARG 546 Ca 0.04 -0.23 -0.13 0.00 -1.72 0.00 0.00 55.73 53.68 1qha s ARG 546 Cb -0.12 -1.58 0.20 0.00 -0.45 0.00 0.00 34.95 33.00 1qha s ARG 546 CO 0.02 -0.37 1.27 -1.54 -0.68 0.00 0.00 175.30 174.01 1qha s SER 547 N 1.79 3.24 0.00 0.23 1.04 -1.23 -0.96 113.70 117.80 1qha s SER 547 Ca 0.03 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.56 1qha s SER 547 Cb -0.14 -0.16 0.00 0.00 0.10 0.00 0.00 66.02 65.82 1qha s SER 547 CO -0.07 -2.64 0.00 0.61 0.98 0.00 0.00 173.24 172.12 1qha n GLY 548 N -3.62 -0.59 0.00 7.32 0.00 -1.26 -4.70 105.19 102.34 1qha n GLY 548 Ca 0.16 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1qha n GLY 548 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qha n LYS 549 N 0.00 0.00 -2.70 1.61 0.00 -1.26 -3.72 118.16 112.08 1qha n LYS 549 Ca 0.00 0.30 -0.43 0.00 -0.00 0.00 0.00 58.31 58.19 1qha n LYS 549 Cb 0.00 -0.84 -0.03 0.00 -0.00 0.00 0.00 35.03 34.15 1qha n LYS 549 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1qha s LYS 550 N -0.69 3.44 0.02 -1.58 2.20 -1.26 -4.99 119.74 116.88 1qha s LYS 550 Ca 0.00 0.03 -0.23 0.00 -0.36 0.00 0.00 55.97 55.40 1qha s LYS 550 Cb 0.00 -4.03 -0.05 0.00 -1.51 0.00 0.00 37.83 32.24 1qha s LYS 550 CO 0.00 -1.58 0.71 1.03 -0.36 0.00 0.00 175.35 175.15 1qha s ARG 551 N 4.48 4.44 0.01 4.03 0.52 -1.24 -4.70 118.95 126.47 1qha s ARG 551 Ca 0.37 0.95 0.01 0.00 -0.52 0.00 0.00 55.73 56.54 1qha s ARG 551 Cb -0.10 -3.36 -0.01 0.00 0.52 0.00 0.00 34.95 32.00 1qha s ARG 551 CO 0.23 0.30 -0.02 0.95 0.02 0.00 0.00 175.30 176.77 1qha s THR 552 N -0.06 0.16 -0.08 0.02 -4.23 -0.13 -4.99 115.64 106.32 1qha s THR 552 Ca 0.36 -0.36 0.02 0.00 -1.18 0.00 0.00 61.69 60.53 1qha s THR 552 Cb -0.20 -0.19 0.02 0.00 1.34 0.00 0.00 72.50 73.47 1qha s THR 552 CO 0.21 -0.13 -0.11 0.68 -0.54 0.00 0.00 174.62 174.73 1qha s VAL 553 N -0.49 1.13 -0.20 2.29 -7.23 -1.26 -1.34 120.40 113.29 1qha s VAL 553 Ca -0.04 -0.44 0.01 0.00 -1.81 0.00 0.00 61.98 59.70 1qha s VAL 553 Cb -0.04 -1.06 0.03 0.00 0.56 0.00 0.00 36.38 35.88 1qha s VAL 553 CO -0.00 0.36 -0.16 -0.70 -0.31 0.00 0.00 175.10 174.29 1qha s GLU 554 N 0.94 2.60 0.22 4.82 2.12 0.58 -4.97 118.70 125.01 1qha s GLU 554 Ca -0.09 -0.94 0.09 0.00 0.36 0.00 0.00 54.97 54.39 1qha s GLU 554 Cb -0.15 -2.59 -0.04 0.00 0.26 0.00 0.00 34.13 31.61 1qha s GLU 554 CO 0.00 -0.34 -0.07 -1.64 -0.54 0.00 0.00 175.26 172.68 1qha s MET 555 N 1.27 2.13 -0.03 4.30 -1.94 -1.26 0.04 119.30 123.81 1qha s MET 555 Ca 0.01 -1.38 -0.17 0.00 -1.71 0.00 0.00 55.69 52.44 1qha s MET 555 Cb -0.15 -2.13 0.03 0.00 2.01 0.00 0.00 34.83 34.59 1qha s MET 555 CO -0.10 0.40 0.36 -1.01 -0.01 0.00 0.00 175.02 174.66 1qha s HIS 556 N -2.04 -0.26 0.22 -0.03 3.76 -0.71 -5.00 115.29 111.24 1qha s HIS 556 Ca 0.28 0.42 -0.19 0.00 -0.15 0.00 0.00 55.06 55.42 1qha s HIS 556 Cb -0.07 0.14 0.03 0.00 1.11 0.00 0.00 32.58 33.78 1qha s HIS 556 CO 0.17 -0.41 0.59 0.54 -0.85 0.00 0.00 174.74 174.78 1qha s ASN 557 N -1.22 -0.29 -0.03 1.40 2.20 -1.26 -2.09 114.94 113.66 1qha s ASN 557 Ca -0.12 -0.49 0.01 0.00 -0.94 0.00 0.00 52.86 51.31 1qha s ASN 557 Cb -0.04 0.63 0.02 0.00 -2.00 0.00 0.00 41.25 39.85 1qha s ASN 557 CO 0.05 -1.13 -0.01 -0.75 -2.94 0.00 0.00 177.10 172.32 1qha s LYS 558 N -3.88 0.33 0.10 3.55 2.20 -1.13 -5.04 119.74 115.87 1qha s LYS 558 Ca 0.10 0.03 -0.18 0.00 -0.36 0.00 0.00 55.97 55.56 1qha s LYS 558 Cb -0.02 -0.47 -0.07 0.00 -1.51 0.00 0.00 37.83 35.76 1qha s LYS 558 CO -0.00 -0.10 0.57 0.42 -0.36 0.00 0.00 175.35 175.87 1qha s ILE 559 N 0.85 4.77 -0.07 5.43 1.01 -1.26 -2.90 121.20 129.02 1qha s ILE 559 Ca -0.09 1.11 0.02 0.00 0.00 0.00 0.00 60.65 61.69 1qha s ILE 559 Cb -0.12 -3.85 0.02 0.00 0.01 0.00 0.00 42.46 38.52 1qha s ILE 559 CO -0.01 0.46 -0.10 -0.31 0.00 0.00 0.00 174.94 174.98 1qha s TYR 560 N -1.22 1.34 0.61 3.97 1.51 -0.90 -5.04 117.35 117.63 1qha s TYR 560 Ca 0.32 -0.51 -0.14 0.00 -1.01 0.00 0.00 57.07 55.72 1qha s TYR 560 Cb -0.18 -1.03 -0.03 0.00 -0.11 0.00 0.00 41.96 40.61 1qha s TYR 560 CO 0.19 -0.30 1.05 0.00 -1.11 0.00 0.00 175.55 175.37 1qha s ALA 561 N 0.88 2.79 -0.30 3.71 0.00 -1.26 -4.08 121.76 123.50 1qha s ALA 561 Ca -0.11 0.24 -0.00 0.00 0.00 0.00 0.00 51.96 52.09 1qha s ALA 561 Cb -0.15 -3.19 0.09 0.00 0.00 0.00 0.00 23.12 19.87 1qha s ALA 561 CO 0.01 -0.84 0.08 0.42 0.00 0.00 0.00 175.76 175.43 1qha s ILE 562 N -2.69 1.00 0.34 0.00 1.01 -1.26 -5.05 121.20 114.55 1qha s ILE 562 Ca 0.61 -1.40 -0.24 0.00 0.00 0.00 0.00 60.65 59.62 1qha s ILE 562 Cb -0.14 -1.71 -0.15 0.00 0.01 0.00 0.00 42.46 40.46 1qha s ILE 562 CO 0.42 -0.60 0.34 -2.65 0.00 0.00 0.00 174.94 172.45 1qha n PRO 563 N 4.80 0.15 0.13 2.79 -0.02 -1.26 -4.69 135.00 136.91 1qha n PRO 563 Ca -0.03 0.06 0.10 0.00 -2.02 0.00 0.00 63.50 61.61 1qha n PRO 563 Cb 0.43 -1.12 0.59 0.00 -0.02 0.00 0.00 33.50 33.38 1qha n PRO 563 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1qha h ILE 564 N 0.68 0.96 -0.69 4.25 2.10 -2.00 -0.82 117.51 121.99 1qha h ILE 564 Ca -0.35 -0.05 0.15 0.00 1.08 0.00 0.00 64.86 65.69 1qha h ILE 564 Cb 1.43 0.81 -0.12 0.00 -1.09 0.00 0.00 36.82 37.84 1qha h ILE 564 CO 0.51 0.03 -0.06 1.05 -1.08 0.00 0.00 178.15 178.60 1qha h GLU 565 N 0.14 0.06 0.02 2.19 4.11 -1.93 -0.10 114.58 119.08 1qha h GLU 565 Ca 0.10 -0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.28 1qha h GLU 565 Cb 0.21 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1qha h GLU 565 CO -0.01 0.04 -1.01 0.82 0.07 0.00 0.00 179.01 178.92 1qha h ILE 566 N 0.07 1.37 0.00 -1.06 1.08 -1.48 0.21 117.51 117.69 1qha h ILE 566 Ca 0.36 -2.44 -0.04 0.00 -0.39 0.00 0.00 64.86 62.35 1qha h ILE 566 Cb 0.60 2.46 -0.01 0.00 -3.07 0.00 0.00 36.82 36.80 1qha h ILE 566 CO -0.65 0.73 -0.20 0.24 -0.69 0.00 0.00 178.15 177.59 1qha h MET 567 N 0.27 0.00 0.00 2.37 2.86 -0.74 -0.93 114.93 118.76 1qha h MET 567 Ca -0.10 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1qha h MET 567 Cb 1.66 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.30 1qha h MET 567 CO 0.18 0.20 -0.34 1.04 1.06 0.00 0.00 176.91 179.05 1qha n GLN 568 N -3.65 1.31 0.00 1.72 6.02 -0.15 -0.92 117.38 121.72 1qha n GLN 568 Ca -0.01 -2.86 0.00 0.00 -0.01 0.00 0.00 57.00 54.12 1qha n GLN 568 Cb 0.33 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.15 1qha n GLN 568 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qha n GLY 569 N -1.10 1.60 3.78 1.08 0.00 0.72 -4.74 105.19 106.53 1qha n GLY 569 Ca 0.16 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.11 1qha n GLY 569 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qha s THR 570 N 2.98 4.39 0.42 2.61 2.01 -1.26 0.75 115.64 127.54 1qha s THR 570 Ca 0.00 1.65 0.27 0.00 0.31 0.00 0.00 61.69 63.92 1qha s THR 570 Cb 0.00 -4.11 0.46 0.00 0.01 0.00 0.00 72.50 68.86 1qha s THR 570 CO 0.00 0.50 1.65 1.23 -0.69 0.00 0.00 174.62 177.30 1qha h GLY 571 N 4.24 1.37 1.66 4.40 0.00 0.41 -0.04 103.07 115.12 1qha h GLY 571 Ca -0.47 -0.14 -0.20 0.00 0.00 0.00 0.00 47.33 46.52 1qha h GLY 571 CO 0.66 -0.38 -1.10 0.83 0.00 0.00 0.00 176.54 176.55 1qha h GLU 572 N 0.14 0.00 0.00 4.80 3.07 -1.90 -1.51 114.58 119.18 1qha h GLU 572 Ca 0.78 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.54 1qha h GLU 572 Cb 2.33 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 30.23 1qha h GLU 572 CO -0.42 0.70 -0.48 0.93 -1.40 0.00 0.00 179.01 178.34 1qha h GLU 573 N 0.00 0.00 0.05 2.33 5.08 -1.43 -2.37 114.58 118.24 1qha h GLU 573 Ca -0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1qha h GLU 573 Cb 1.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.97 1qha h GLU 573 CO 0.10 0.48 -0.02 1.25 -1.00 0.00 0.00 179.01 179.81 1qha h LEU 574 N 0.00 -0.05 -0.68 1.33 5.85 -0.72 -2.03 115.31 119.01 1qha h LEU 574 Ca -0.00 -0.59 -0.14 0.00 0.84 0.00 0.00 57.88 57.99 1qha h LEU 574 Cb 0.88 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1qha h LEU 574 CO 0.06 0.60 -0.49 -0.26 -0.34 0.00 0.00 178.44 178.01 1qha h PHE 575 N -0.74 0.52 -0.68 1.25 -1.00 -1.38 0.27 116.94 115.18 1qha h PHE 575 Ca -0.01 -0.17 -0.00 0.00 2.81 0.00 0.00 57.97 60.60 1qha h PHE 575 Cb 0.63 -0.10 -0.03 0.00 3.61 0.00 0.00 35.95 40.06 1qha h PHE 575 CO 0.14 0.83 0.41 -0.44 -1.61 0.00 0.00 178.31 177.65 1qha h ASP 576 N 0.34 0.81 -0.89 2.17 3.32 -1.49 -0.95 116.42 119.73 1qha h ASP 576 Ca 0.02 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1qha h ASP 576 Cb 0.98 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.28 1qha h ASP 576 CO 0.09 0.63 0.53 -0.74 -1.72 0.00 0.00 179.24 178.03 1qha h HIS 577 N 0.92 1.17 -0.45 4.55 2.76 -0.88 -2.31 115.15 120.92 1qha h HIS 577 Ca 0.24 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.43 1qha h HIS 577 Cb -0.04 -0.39 -0.03 0.00 1.55 0.00 0.00 27.41 28.51 1qha h HIS 577 CO -0.02 0.78 0.27 0.82 -1.30 0.00 0.00 177.93 178.49 1qha h ILE 578 N 1.23 1.06 -0.16 6.26 2.04 -0.31 -2.88 117.51 124.75 1qha h ILE 578 Ca 0.32 -0.19 -0.12 0.00 1.00 0.00 0.00 64.86 65.87 1qha h ILE 578 Cb -0.05 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1qha h ILE 578 CO -0.06 0.10 -0.39 0.58 0.00 0.00 0.00 178.15 178.38 1qha h VAL 579 N 0.55 1.35 -0.62 1.67 2.07 -0.84 -2.56 116.25 117.86 1qha h VAL 579 Ca 0.18 -1.65 0.18 0.00 0.82 0.00 0.00 66.70 66.23 1qha h VAL 579 Cb -0.01 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1qha h VAL 579 CO -0.07 0.50 0.67 -1.28 0.02 0.00 0.00 177.57 177.41 1qha h SER 580 N 0.18 0.00 0.61 0.57 0.87 -1.38 0.85 113.55 115.25 1qha h SER 580 Ca -0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1qha h SER 580 Cb 1.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 1qha h SER 580 CO 0.08 0.00 -1.46 0.00 -0.53 0.00 0.00 176.83 174.93 1qha h ILE 582 N 0.00 1.21 -0.94 0.00 2.04 -0.04 0.23 117.51 120.01 1qha h ILE 582 Ca -0.09 -0.78 0.06 0.00 1.00 0.00 0.00 64.86 65.05 1qha h ILE 582 Cb 1.26 1.73 -0.06 0.00 -0.74 0.00 0.00 36.82 39.01 1qha h ILE 582 CO 0.02 0.20 0.60 -1.28 0.00 0.00 0.00 178.15 177.68 1qha h SER 583 N -0.38 0.97 -0.47 1.72 0.87 0.43 -0.76 113.55 115.92 1qha h SER 583 Ca -0.00 0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1qha h SER 583 Cb 0.36 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 1qha h SER 583 CO 0.01 0.63 0.06 -0.78 -0.53 0.00 0.00 176.83 176.21 1qha h ASP 584 N 1.11 0.76 -0.42 6.23 3.58 -1.40 -2.90 116.42 123.38 1qha h ASP 584 Ca 0.40 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 1qha h ASP 584 Cb 0.14 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 1qha h ASP 584 CO -0.16 0.84 0.19 0.15 -2.88 0.00 0.00 179.24 177.38 1qha h PHE 585 N 0.65 0.65 0.00 0.28 3.57 -0.62 -1.78 116.94 119.70 1qha h PHE 585 Ca 0.14 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 1qha h PHE 585 Cb 0.42 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1qha h PHE 585 CO 0.03 0.51 -0.57 -0.07 -2.23 0.00 0.00 178.31 175.98 1qha h LEU 586 N 0.66 0.00 -0.20 0.59 3.38 -0.96 -2.18 115.31 116.59 1qha h LEU 586 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1qha h LEU 586 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1qha h LEU 586 CO -0.02 0.57 0.02 0.44 0.09 0.00 0.00 178.44 179.54 1qha h ASP 587 N 0.00 0.33 0.44 -0.43 3.32 -1.31 0.46 116.42 119.24 1qha h ASP 587 Ca -0.01 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.71 1qha h ASP 587 Cb 1.07 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1qha h ASP 587 CO 0.07 0.53 -0.24 0.22 -1.72 0.00 0.00 179.24 178.11 1qha h TYR 588 N 0.13 0.00 -0.03 4.55 3.20 -0.83 -1.18 116.97 122.81 1qha h TYR 588 Ca 0.06 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1qha h TYR 588 Cb 0.35 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.62 1qha h TYR 588 CO 0.03 0.24 -0.00 -1.33 -1.64 0.00 0.00 178.16 175.45 1qha n MET 589 N -3.83 2.14 -3.27 1.82 2.81 -0.87 -4.97 117.12 110.96 1qha n MET 589 Ca -0.02 -1.65 -0.19 0.00 -1.81 0.00 0.00 57.70 54.03 1qha n MET 589 Cb 0.33 -1.47 0.06 0.00 -0.71 0.00 0.00 33.22 31.43 1qha n MET 589 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qha n GLY 590 N 1.30 -0.26 1.59 3.03 0.00 -0.45 -4.91 105.19 105.50 1qha n GLY 590 Ca 0.15 0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.23 1qha n GLY 590 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1qha n ILE 591 N -4.46 1.09 -2.53 -0.61 -5.35 0.08 -5.02 119.36 102.56 1qha n ILE 591 Ca -0.01 -2.30 -0.42 0.00 -0.27 0.00 0.00 62.75 59.74 1qha n ILE 591 Cb 0.56 0.51 -0.02 0.00 -1.74 0.00 0.00 39.64 38.94 1qha n ILE 591 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1qha s LYS 592 N -1.96 3.49 0.00 6.28 2.47 -1.08 -4.26 119.74 124.68 1qha s LYS 592 Ca 0.36 0.35 0.00 0.00 -1.56 0.00 0.00 55.97 55.11 1qha s LYS 592 Cb 0.37 -4.03 0.00 0.00 -1.46 0.00 0.00 37.83 32.71 1qha s LYS 592 CO -0.10 -1.71 0.00 0.41 0.16 0.00 0.00 175.35 174.11 1qha n GLY 593 N 5.09 0.89 3.67 5.54 0.00 -1.26 -5.03 105.19 114.09 1qha n GLY 593 Ca 0.10 0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1qha n GLY 593 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1qha n PRO 594 N 0.00 1.71 -2.63 1.61 -0.02 -1.26 -4.67 135.00 129.73 1qha n PRO 594 Ca 0.00 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 1qha n PRO 594 Cb 0.00 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.17 1qha n PRO 594 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1qha s ARG 595 N -2.20 4.46 0.06 -0.52 3.52 -1.26 -4.84 118.95 118.17 1qha s ARG 595 Ca 0.63 1.49 0.02 0.00 -0.13 0.00 0.00 55.73 57.73 1qha s ARG 595 Cb -0.52 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.35 1qha s ARG 595 CO 0.57 -0.24 -0.07 -1.64 -0.81 0.00 0.00 175.30 173.12 1qha s MET 596 N 1.58 0.61 0.35 5.12 1.00 -1.26 -4.96 119.30 121.74 1qha s MET 596 Ca 0.52 -0.96 -0.25 0.00 0.00 0.00 0.00 55.69 55.00 1qha s MET 596 Cb -0.22 -0.20 -0.10 0.00 0.00 0.00 0.00 34.83 34.32 1qha s MET 596 CO 0.23 0.01 0.97 -1.25 0.00 0.00 0.00 175.02 174.98 1qha s PRO 597 N -2.43 4.46 -0.01 2.03 0.04 -1.26 -0.66 135.00 137.17 1qha s PRO 597 Ca -0.03 1.34 0.02 0.00 0.04 0.00 0.00 61.00 62.37 1qha s PRO 597 Cb -0.04 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1qha s PRO 597 CO -0.02 0.16 -0.06 -1.17 0.04 0.00 0.00 177.00 175.96 1qha s LEU 598 N -2.31 1.85 -0.18 -3.56 1.98 -0.74 -1.49 118.68 114.24 1qha s LEU 598 Ca 0.53 -0.11 -0.07 0.00 -2.89 0.00 0.00 54.13 51.59 1qha s LEU 598 Cb -0.18 -0.34 -0.04 0.00 0.66 0.00 0.00 46.19 46.30 1qha s LEU 598 CO 0.23 0.04 0.05 -0.83 -1.89 0.00 0.00 176.35 173.96 1qha s GLY 599 N 0.10 1.89 -0.75 7.98 0.00 0.40 -2.16 107.32 114.78 1qha s GLY 599 Ca -0.01 -0.75 -0.11 0.00 0.00 0.00 0.00 44.72 43.85 1qha s GLY 599 CO -0.00 0.03 0.65 -0.12 0.00 0.00 0.00 173.10 173.66 1qha s PHE 600 N 0.34 3.63 -0.46 1.90 5.36 -0.09 -1.13 117.98 127.54 1qha s PHE 600 Ca 0.02 -2.13 -0.28 0.00 -0.96 0.00 0.00 56.93 53.59 1qha s PHE 600 Cb -0.13 -3.65 -0.01 0.00 -0.34 0.00 0.00 43.02 38.89 1qha s PHE 600 CO 0.00 -0.95 1.75 0.99 -1.46 0.00 0.00 175.22 175.55 1qha s THR 601 N 0.24 3.50 -0.18 0.12 2.01 -0.36 -0.18 115.64 120.79 1qha s THR 601 Ca 0.16 0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.62 1qha s THR 601 Cb -0.14 -3.87 0.04 0.00 0.01 0.00 0.00 72.50 68.54 1qha s THR 601 CO -0.06 -0.68 -0.09 0.12 -0.69 0.00 0.00 174.62 173.22 1qha s PHE 602 N 7.46 2.15 -1.07 4.92 5.36 0.29 -1.70 117.98 135.38 1qha s PHE 602 Ca 0.71 -1.39 -0.02 0.00 -0.96 0.00 0.00 56.93 55.27 1qha s PHE 602 Cb -0.17 -1.52 0.30 0.00 -0.34 0.00 0.00 43.02 41.29 1qha s PHE 602 CO 0.28 -0.69 1.78 -1.13 -1.46 0.00 0.00 175.22 174.00 1qha n SER 603 N 4.76 7.09 -4.07 6.13 3.41 -0.27 -4.20 113.62 126.47 1qha n SER 603 Ca -0.14 -3.55 -0.12 0.00 -0.26 0.00 0.00 58.87 54.80 1qha n SER 603 Cb 0.47 -1.22 -0.11 0.00 -0.26 0.00 0.00 64.21 63.09 1qha n SER 603 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1qha s PHE 604 N -3.51 0.66 -0.05 7.33 0.08 -1.26 -4.90 117.98 116.32 1qha s PHE 604 Ca 0.38 -0.56 -0.30 0.00 0.12 0.00 0.00 56.93 56.57 1qha s PHE 604 Cb 0.15 -0.40 -0.06 0.00 -0.57 0.00 0.00 43.02 42.13 1qha s PHE 604 CO -0.06 -0.10 1.79 -1.25 -0.10 0.00 0.00 175.22 175.50 1qha s PRO 605 N -1.87 4.06 -0.05 0.24 0.04 -1.26 -4.92 135.00 131.23 1qha s PRO 605 Ca -0.08 2.25 0.05 0.00 0.04 0.00 0.00 61.00 63.27 1qha s PRO 605 Cb -0.08 -4.07 -0.01 0.00 0.04 0.00 0.00 34.50 30.38 1qha s PRO 605 CO -0.00 -1.01 -0.21 0.00 0.04 0.00 0.00 177.00 175.81 1qha s GLN 607 N -0.04 3.35 -0.10 0.00 2.00 0.64 -4.79 119.66 120.72 1qha s GLN 607 Ca -0.04 -0.33 -0.05 0.00 -2.00 0.00 0.00 55.36 52.93 1qha s GLN 607 Cb -0.13 -3.92 -0.04 0.00 0.80 0.00 0.00 33.01 29.72 1qha s GLN 607 CO 0.03 -0.93 0.11 -0.65 -0.50 0.00 0.00 175.29 173.36 1qha s GLN 608 N 2.71 3.33 -0.00 1.67 -0.21 -1.26 -1.19 119.66 124.70 1qha s GLN 608 Ca 0.22 -0.22 0.15 0.00 0.02 0.00 0.00 55.36 55.53 1qha s GLN 608 Cb -0.15 -3.09 -0.18 0.00 1.00 0.00 0.00 33.01 30.60 1qha s GLN 608 CO 0.17 0.75 0.63 0.25 -2.12 0.00 0.00 175.29 174.97 1qha n THR 609 N 1.87 0.00 -3.86 -0.19 -2.24 -1.26 -4.88 114.28 103.73 1qha n THR 609 Ca -0.19 -0.16 -0.10 0.00 -2.27 0.00 0.00 64.05 61.33 1qha n THR 609 Cb 0.54 0.92 0.01 0.00 -2.10 0.00 0.00 70.33 69.71 1qha n THR 609 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1qha n SER 610 N -1.43 -2.02 -0.22 3.42 3.41 -1.26 -5.02 113.62 110.50 1qha n SER 610 Ca 0.02 -2.66 -0.06 0.00 -0.26 0.00 0.00 58.87 55.91 1qha n SER 610 Cb 0.26 3.44 0.04 0.00 -0.26 0.00 0.00 64.21 67.69 1qha n SER 610 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1qha h LEU 611 N 0.00 0.73 -3.61 1.04 5.85 -1.86 -2.93 115.31 114.52 1qha h LEU 611 Ca -0.32 -0.04 -0.42 0.00 0.84 0.00 0.00 57.88 57.94 1qha h LEU 611 Cb 1.21 -0.18 -0.25 0.00 0.37 0.00 0.00 40.66 41.81 1qha h LEU 611 CO 0.41 0.55 0.54 -0.90 -0.34 0.00 0.00 178.44 178.70 1qha n ASP 612 N -4.63 3.83 -3.92 1.25 5.75 -1.25 -1.28 116.55 116.31 1qha n ASP 612 Ca 0.05 -3.30 -0.12 0.00 -0.01 0.00 0.00 54.79 51.40 1qha n ASP 612 Cb 0.04 -0.79 -0.13 0.00 -1.03 0.00 0.00 41.12 39.20 1qha n ASP 612 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qha s ALA 613 N -2.67 0.15 -0.30 2.12 0.00 -1.11 -4.82 121.76 115.13 1qha s ALA 613 Ca 0.46 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 52.24 1qha s ALA 613 Cb 0.39 0.00 0.19 0.00 0.00 0.00 0.00 23.12 23.70 1qha s ALA 613 CO 0.08 -0.01 0.60 0.20 0.00 0.00 0.00 175.76 176.63 1qha s GLY 614 N -0.37 -1.08 -0.29 0.00 0.00 -1.26 -4.49 107.32 99.83 1qha s GLY 614 Ca -0.03 1.59 -0.26 0.00 0.00 0.00 0.00 44.72 46.02 1qha s GLY 614 CO -0.00 3.48 0.90 -0.42 0.00 0.00 0.00 173.10 177.05 1qha s ILE 615 N 2.85 4.71 -0.07 0.90 1.01 -0.34 -1.26 121.20 129.00 1qha s ILE 615 Ca 0.17 1.47 -0.29 0.00 0.00 0.00 0.00 60.65 62.00 1qha s ILE 615 Cb -0.13 -4.23 -0.07 0.00 0.01 0.00 0.00 42.46 38.03 1qha s ILE 615 CO -0.23 -0.28 2.02 -0.22 0.00 0.00 0.00 174.94 176.23 1qha s LEU 616 N 3.16 4.06 0.02 2.97 2.96 -0.65 -0.26 118.68 130.94 1qha s LEU 616 Ca 0.37 2.32 -0.21 0.00 -0.22 0.00 0.00 54.13 56.40 1qha s LEU 616 Cb -0.14 -3.52 -0.18 0.00 0.50 0.00 0.00 46.19 42.85 1qha s LEU 616 CO 0.12 -1.37 1.23 0.40 -1.32 0.00 0.00 176.35 175.41 1qha h ILE 617 N 6.17 1.40 -1.75 6.68 2.04 -1.47 -0.40 117.51 130.19 1qha h ILE 617 Ca -0.45 -1.63 0.12 0.00 1.00 0.00 0.00 64.86 63.90 1qha h ILE 617 Cb 1.23 2.20 -0.20 0.00 -0.74 0.00 0.00 36.82 39.31 1qha h ILE 617 CO 0.95 0.47 0.58 0.28 0.00 0.00 0.00 178.15 180.43 1qha s THR 618 N -3.81 0.00 0.73 -0.27 -1.32 -1.26 -4.72 115.64 104.99 1qha s THR 618 Ca -0.14 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.23 1qha s THR 618 Cb 0.04 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.06 1qha s THR 618 CO 0.77 0.00 1.08 0.26 -2.21 0.00 0.00 174.62 174.52 1qha s TRP 619 N -1.87 3.14 0.22 9.09 0.23 -1.26 -4.44 118.94 124.05 1qha s TRP 619 Ca 0.02 1.20 -0.08 0.00 -2.03 0.00 0.00 56.10 55.21 1qha s TRP 619 Cb -0.01 -3.00 -0.02 0.00 0.03 0.00 0.00 33.47 30.48 1qha s TRP 619 CO -0.03 -1.34 0.33 0.95 0.96 0.00 0.00 176.95 177.82 1qha s THR 620 N -3.19 0.01 0.00 2.01 -4.23 -1.26 -5.03 115.64 103.95 1qha s THR 620 Ca 0.59 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 1qha s THR 620 Cb -0.13 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.44 1qha s THR 620 CO 0.54 -0.04 0.00 0.29 -0.54 0.00 0.00 174.62 174.87 1qha n LYS 621 N -0.32 0.00 0.00 3.99 5.02 -1.26 -2.71 118.16 122.88 1qha n LYS 621 Ca -0.01 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.41 1qha n LYS 621 Cb 0.64 0.00 0.25 0.00 -0.02 0.00 0.00 35.03 35.90 1qha n LYS 621 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qha n GLY 622 N 0.00 0.14 3.84 0.72 0.00 -1.26 -4.90 105.19 103.73 1qha n GLY 622 Ca 0.00 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 1qha n GLY 622 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qha s PHE 623 N -2.22 3.40 -0.19 1.61 0.40 -1.10 -4.85 117.98 115.02 1qha s PHE 623 Ca 0.28 1.47 0.06 0.00 -0.60 0.00 0.00 56.93 58.14 1qha s PHE 623 Cb 0.20 -2.82 0.20 0.00 0.51 0.00 0.00 43.02 41.11 1qha s PHE 623 CO 0.42 -0.48 1.04 1.17 0.70 0.00 0.00 175.22 178.08 1qha n LYS 624 N -1.68 0.67 -2.26 0.44 4.81 -0.10 -4.48 118.16 115.57 1qha n LYS 624 Ca 0.07 -0.68 -0.41 0.00 -0.87 0.00 0.00 58.31 56.43 1qha n LYS 624 Cb 0.54 0.18 -0.03 0.00 0.02 0.00 0.00 35.03 35.74 1qha n LYS 624 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1qha s ALA 625 N 0.07 3.48 0.62 3.14 0.00 -0.93 -4.53 121.76 123.61 1qha s ALA 625 Ca 0.05 1.10 -0.16 0.00 0.00 0.00 0.00 51.96 52.95 1qha s ALA 625 Cb 0.22 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 1qha s ALA 625 CO -0.06 -0.46 1.11 0.95 0.00 0.00 0.00 175.76 177.29 1qha s THR 626 N -0.78 3.32 -1.45 0.00 -4.23 0.23 -3.85 115.64 108.88 1qha s THR 626 Ca 0.50 0.66 -0.10 0.00 -1.18 0.00 0.00 61.69 61.57 1qha s THR 626 Cb -0.36 -3.19 0.05 0.00 1.34 0.00 0.00 72.50 70.34 1qha s THR 626 CO 0.45 -0.33 0.99 0.47 -0.54 0.00 0.00 174.62 175.65 1qha n ASP 627 N -2.09 -4.46 -0.02 3.99 8.00 -1.26 0.29 116.55 121.00 1qha n ASP 627 Ca 0.10 -0.73 -0.04 0.00 0.71 0.00 0.00 54.79 54.83 1qha n ASP 627 Cb 0.52 -4.21 -0.02 0.00 -0.02 0.00 0.00 41.12 37.39 1qha n ASP 627 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qha n VAL 629 N -2.88 0.01 0.00 0.00 0.31 -1.26 -1.05 118.33 113.46 1qha n VAL 629 Ca -0.09 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1qha n VAL 629 Cb 0.58 -1.67 0.00 0.00 -0.91 0.00 0.00 33.84 31.84 1qha n VAL 629 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qha n GLY 630 N 3.58 1.37 3.93 2.92 0.00 -0.16 -5.00 105.19 111.83 1qha n GLY 630 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 1qha n GLY 630 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qha s HIS 631 N -2.31 2.79 -0.38 1.61 3.76 -0.21 -4.79 115.29 115.76 1qha s HIS 631 Ca 0.00 -0.42 -0.20 0.00 -0.15 0.00 0.00 55.06 54.28 1qha s HIS 631 Cb 0.00 -2.19 0.01 0.00 1.11 0.00 0.00 32.58 31.51 1qha s HIS 631 CO 0.00 -0.18 0.63 0.34 -0.85 0.00 0.00 174.74 174.67 1qha s ASP 632 N -4.19 6.38 0.57 1.40 -1.08 -1.26 -1.63 116.67 116.85 1qha s ASP 632 Ca 0.49 -0.02 0.29 0.00 -0.52 0.00 0.00 52.55 52.80 1qha s ASP 632 Cb -0.06 -2.32 1.71 0.00 -1.46 0.00 0.00 42.92 40.79 1qha s ASP 632 CO 0.30 -0.64 2.19 -0.37 0.52 0.00 0.00 175.17 177.17 1qha h VAL 633 N 5.73 0.52 -0.34 1.11 -1.51 -1.53 0.52 116.25 120.75 1qha h VAL 633 Ca -0.26 -0.20 -0.15 0.00 -1.23 0.00 0.00 66.70 64.86 1qha h VAL 633 Cb 1.11 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 31.39 1qha h VAL 633 CO 0.85 0.04 -0.37 0.58 -1.23 0.00 0.00 177.57 177.44 1qha h VAL 634 N 0.00 1.28 -0.37 7.19 2.07 -1.90 -2.52 116.25 122.00 1qha h VAL 634 Ca -0.00 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 65.98 1qha h VAL 634 Cb 0.12 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1qha h VAL 634 CO 0.01 0.51 0.23 0.74 0.02 0.00 0.00 177.57 179.07 1qha h THR 635 N 0.66 1.12 -0.32 2.57 2.02 -1.33 0.37 112.91 118.01 1qha h THR 635 Ca 0.06 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 1qha h THR 635 Cb 0.93 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1qha h THR 635 CO 0.09 0.12 -0.04 -0.07 0.37 0.00 0.00 175.52 175.99 1qha h LEU 636 N 0.49 0.47 -0.01 2.58 3.38 -1.10 0.32 115.31 121.45 1qha h LEU 636 Ca 0.13 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1qha h LEU 636 Cb -0.01 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1qha h LEU 636 CO -0.03 0.57 -0.07 0.25 0.09 0.00 0.00 178.44 179.25 1qha h LEU 637 N 0.47 0.07 -2.35 1.67 5.85 -0.93 -2.07 115.31 118.03 1qha h LEU 637 Ca 0.10 -0.71 -0.01 0.00 0.84 0.00 0.00 57.88 58.10 1qha h LEU 637 Cb 0.37 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1qha h LEU 637 CO 0.02 0.77 -0.03 0.03 -0.34 0.00 0.00 178.44 178.89 1qha h ARG 638 N -0.62 0.00 0.07 1.25 3.08 -0.10 -2.06 114.38 116.00 1qha h ARG 638 Ca -0.01 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.80 1qha h ARG 638 Cb 0.78 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 1qha h ARG 638 CO 0.01 0.03 -1.10 -0.44 -1.07 0.00 0.00 179.97 177.40 1qha h ASP 639 N 0.00 0.34 -0.25 7.04 3.32 -0.59 -2.93 116.42 123.35 1qha h ASP 639 Ca -0.00 -0.33 -0.09 0.00 0.02 0.00 0.00 57.03 56.62 1qha h ASP 639 Cb 0.09 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1qha h ASP 639 CO 0.00 1.22 -0.16 0.00 -1.72 0.00 0.00 179.24 178.59 1qha h ALA 640 N 0.74 1.03 0.57 3.45 0.00 -1.00 0.05 119.26 124.09 1qha h ALA 640 Ca -0.09 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1qha h ALA 640 Cb 1.81 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.45 1qha h ALA 640 CO 0.17 0.58 -0.27 0.82 0.00 0.00 0.00 179.25 180.56 1qha h ILE 641 N 0.61 0.39 -0.11 0.00 1.08 -1.44 -0.29 117.51 117.75 1qha h ILE 641 Ca 0.10 -0.20 0.02 0.00 -0.39 0.00 0.00 64.86 64.40 1qha h ILE 641 Cb 0.62 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 1qha h ILE 641 CO 0.04 0.03 -0.05 0.11 -0.69 0.00 0.00 178.15 177.60 1qha h LYS 642 N -0.90 -0.03 -0.99 2.37 1.79 -1.54 0.21 116.57 117.48 1qha h LYS 642 Ca -0.08 0.00 0.32 0.00 -2.18 0.00 0.00 60.65 58.72 1qha h LYS 642 Cb 0.63 0.01 -0.15 0.00 -1.58 0.00 0.00 32.23 31.14 1qha h LYS 642 CO 0.13 -0.02 0.51 0.00 -1.08 0.00 0.00 179.45 178.99 1qha h ARG 643 N -0.03 0.26 0.05 3.15 3.08 -0.71 -1.08 114.38 119.10 1qha h ARG 643 Ca 0.06 -0.02 -0.23 0.00 0.07 0.00 0.00 59.98 59.86 1qha h ARG 643 Cb 0.12 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1qha h ARG 643 CO -0.13 0.17 -1.08 -0.09 -1.07 0.00 0.00 179.97 177.77 1qha h ARG 644 N 0.26 0.12 -6.14 0.04 2.43 0.12 -3.49 114.38 107.72 1qha h ARG 644 Ca 0.72 -0.19 -0.42 0.00 -0.81 0.00 0.00 59.98 59.29 1qha h ARG 644 Cb 1.67 0.07 0.08 0.00 -0.42 0.00 0.00 29.97 31.36 1qha h ARG 644 CO -0.64 1.07 -0.90 -1.91 -1.51 0.00 0.00 179.97 176.08 1qha n GLU 645 N -3.45 -2.31 0.00 0.20 2.13 -0.41 -4.90 120.64 111.90 1qha n GLU 645 Ca -0.03 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.32 1qha n GLU 645 Cb 0.96 -4.58 0.00 0.00 0.27 0.00 0.00 31.44 28.08 1qha n GLU 645 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1qha n GLU 646 N -4.11 0.67 -3.69 5.31 2.13 -1.26 -5.10 120.64 114.59 1qha n GLU 646 Ca -0.16 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.52 1qha n GLU 646 Cb 0.62 -0.86 -0.07 0.00 0.27 0.00 0.00 31.44 31.40 1qha n GLU 646 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1qha s PHE 647 N -1.73 -0.29 0.20 4.31 -0.71 -1.26 -4.94 117.98 113.57 1qha s PHE 647 Ca 0.00 0.39 -0.03 0.00 -1.04 0.00 0.00 56.93 56.25 1qha s PHE 647 Cb 0.00 0.19 -0.05 0.00 -1.21 0.00 0.00 43.02 41.95 1qha s PHE 647 CO 0.00 -0.49 0.42 0.34 -1.34 0.00 0.00 175.22 174.15 1qha s ASP 648 N -1.54 6.44 0.10 1.98 2.15 -1.26 -4.82 116.67 119.72 1qha s ASP 648 Ca -0.10 0.54 0.02 0.00 0.43 0.00 0.00 52.55 53.43 1qha s ASP 648 Cb -0.03 -2.07 -0.04 0.00 -0.30 0.00 0.00 42.92 40.48 1qha s ASP 648 CO 0.03 -0.04 -0.07 -0.76 -0.17 0.00 0.00 175.17 174.16 1qha s LEU 649 N -3.14 2.50 -0.46 -1.34 1.43 -1.26 -4.37 118.68 112.03 1qha s LEU 649 Ca 0.41 -0.98 0.03 0.00 -1.03 0.00 0.00 54.13 52.56 1qha s LEU 649 Cb -0.11 -0.10 0.12 0.00 0.03 0.00 0.00 46.19 46.13 1qha s LEU 649 CO 0.28 -0.44 0.20 -0.62 0.23 0.00 0.00 176.35 175.99 1qha s ASP 650 N -2.97 4.54 -0.47 2.29 2.15 0.16 -4.92 116.67 117.45 1qha s ASP 650 Ca 0.11 -2.69 -0.28 0.00 0.43 0.00 0.00 52.55 50.11 1qha s ASP 650 Cb 0.04 -1.65 0.01 0.00 -0.30 0.00 0.00 42.92 41.02 1qha s ASP 650 CO -0.04 -0.30 1.41 -0.69 -0.17 0.00 0.00 175.17 175.38 1qha s VAL 651 N 0.16 3.86 -1.21 1.11 1.01 -1.26 -1.79 120.40 122.28 1qha s VAL 651 Ca 0.15 0.83 0.21 0.00 0.00 0.00 0.00 61.98 63.16 1qha s VAL 651 Cb -0.23 -4.31 -0.17 0.00 0.00 0.00 0.00 36.38 31.67 1qha s VAL 651 CO -0.03 -0.93 0.91 0.52 0.00 0.00 0.00 175.10 175.58 1qha n VAL 652 N 7.00 0.00 -3.64 2.92 0.31 -0.92 -4.91 118.33 119.09 1qha n VAL 652 Ca 0.15 -0.08 -0.08 0.00 -0.01 0.00 0.00 64.34 64.31 1qha n VAL 652 Cb 0.49 1.06 -0.07 0.00 -0.91 0.00 0.00 33.84 34.41 1qha n VAL 652 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qha s ALA 653 N -2.79 -2.01 -0.17 3.52 0.00 -1.22 -3.74 121.76 115.35 1qha s ALA 653 Ca 0.10 2.00 -0.01 0.00 0.00 0.00 0.00 51.96 54.05 1qha s ALA 653 Cb 0.16 -1.47 -0.00 0.00 0.00 0.00 0.00 23.12 21.80 1qha s ALA 653 CO 0.76 -0.28 -0.12 0.54 0.00 0.00 0.00 175.76 176.66 1qha s VAL 654 N 0.56 2.90 -0.00 0.00 0.11 -0.41 -0.91 120.40 122.65 1qha s VAL 654 Ca -0.00 -0.68 0.03 0.00 -2.93 0.00 0.00 61.98 58.40 1qha s VAL 654 Cb -0.05 -2.25 -0.01 0.00 -1.53 0.00 0.00 36.38 32.54 1qha s VAL 654 CO -0.08 0.50 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.39 1qha s VAL 655 N 0.92 0.80 0.32 2.04 1.01 0.75 -4.93 120.40 121.32 1qha s VAL 655 Ca -0.03 -0.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 1qha s VAL 655 Cb -0.15 -0.68 -0.09 0.00 0.00 0.00 0.00 36.38 35.46 1qha s VAL 655 CO -0.01 0.20 0.74 0.21 0.00 0.00 0.00 175.10 176.24 1qha s ASN 656 N -0.31 6.77 0.55 3.32 2.47 -1.26 0.10 114.94 126.59 1qha s ASN 656 Ca 0.03 1.28 0.26 0.00 0.42 0.00 0.00 52.86 54.85 1qha s ASN 656 Cb -0.04 -2.37 1.60 0.00 -1.45 0.00 0.00 41.25 38.98 1qha s ASN 656 CO -0.00 -0.21 2.18 -2.24 -3.72 0.00 0.00 177.10 173.11 1qha h ASP 657 N 2.25 0.00 -0.06 -4.21 2.03 -1.93 -0.97 116.42 113.54 1qha h ASP 657 Ca -0.48 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 55.82 1qha h ASP 657 Cb 1.17 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1qha h ASP 657 CO 0.65 0.04 0.02 0.71 -1.03 0.00 0.00 179.24 179.63 1qha h THR 658 N 0.00 1.17 -0.34 1.15 1.35 -1.93 -1.18 112.91 113.14 1qha h THR 658 Ca -0.00 -0.51 -0.04 0.00 -0.55 0.00 0.00 66.41 65.30 1qha h THR 658 Cb 0.09 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 67.90 1qha h THR 658 CO 0.00 0.14 0.04 0.58 -0.25 0.00 0.00 175.52 176.04 1qha h VAL 659 N -0.11 1.24 -0.44 6.82 2.07 -1.58 0.13 116.25 124.40 1qha h VAL 659 Ca 0.02 -0.87 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 1qha h VAL 659 Cb 0.21 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1qha h VAL 659 CO -0.00 0.29 0.02 1.23 0.02 0.00 0.00 177.57 179.13 1qha h GLY 660 N 0.40 0.75 0.99 2.17 0.00 -1.40 -0.57 103.07 105.40 1qha h GLY 660 Ca 0.10 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1qha h GLY 660 CO 0.01 0.44 0.32 -0.84 0.00 0.00 0.00 176.54 176.46 1qha h THR 661 N 0.66 1.19 -0.38 4.70 2.02 -0.81 -0.06 112.91 120.23 1qha h THR 661 Ca 0.14 -0.48 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 1qha h THR 661 Cb 0.38 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1qha h THR 661 CO 0.01 0.21 0.09 -0.03 0.37 0.00 0.00 175.52 176.17 1qha h MET 662 N 0.78 0.61 -0.95 6.66 -1.53 -0.51 -2.40 114.93 117.59 1qha h MET 662 Ca 0.20 -0.14 0.02 0.00 -3.44 0.00 0.00 59.70 56.34 1qha h MET 662 Cb 0.05 -0.08 -0.05 0.00 -0.55 0.00 0.00 31.60 30.97 1qha h MET 662 CO -0.03 0.64 0.63 0.52 0.14 0.00 0.00 176.91 178.80 1qha h MET 663 N 0.47 1.21 -0.16 0.39 2.86 -0.87 -0.17 114.93 118.66 1qha h MET 663 Ca 0.12 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.71 1qha h MET 663 Cb 0.30 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1qha h MET 663 CO 0.00 0.80 0.03 1.15 1.06 0.00 0.00 176.91 179.95 1qha h THR 664 N 1.25 0.92 0.00 2.22 2.02 -0.79 -1.85 112.91 116.69 1qha h THR 664 Ca 0.36 -0.03 -0.11 0.00 0.77 0.00 0.00 66.41 67.40 1qha h THR 664 Cb -0.08 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1qha h THR 664 CO -0.09 0.02 -0.54 0.00 0.37 0.00 0.00 175.52 175.27 1qha n ALA 666 N -2.25 2.71 -0.09 0.00 0.00 -0.10 -2.49 120.51 118.28 1qha n ALA 666 Ca 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 53.44 53.21 1qha n ALA 666 Cb 0.72 -1.37 0.25 0.00 0.00 0.00 0.00 19.45 19.05 1qha n ALA 666 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1qha h TYR 667 N 0.38 0.75 0.00 0.00 3.20 -1.17 -3.07 116.97 117.06 1qha h TYR 667 Ca 0.00 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1qha h TYR 667 Cb 0.35 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.40 1qha h TYR 667 CO 0.00 0.61 -1.45 0.39 -1.64 0.00 0.00 178.16 176.07 1qha n GLU 668 N -4.31 0.54 -3.68 1.82 4.71 -1.24 -4.94 120.64 113.55 1qha n GLU 668 Ca 0.04 -0.10 -0.29 0.00 -0.01 0.00 0.00 57.16 56.80 1qha n GLU 668 Cb 0.19 -1.46 -0.16 0.00 -1.01 0.00 0.00 31.44 29.00 1qha n GLU 668 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1qha s GLU 669 N -3.15 0.52 0.48 3.49 2.56 -1.04 -5.00 118.70 116.56 1qha s GLU 669 Ca -0.00 -0.64 0.28 0.00 0.00 0.00 0.00 54.97 54.61 1qha s GLU 669 Cb 0.14 -1.83 0.89 0.00 2.00 0.00 0.00 34.13 35.34 1qha s GLU 669 CO 0.83 -0.85 1.81 -1.00 -0.56 0.00 0.00 175.26 175.49 1qha h PRO 670 N 8.24 0.00 -0.02 4.30 0.13 -1.88 -1.37 132.00 141.41 1qha h PRO 670 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1qha h PRO 670 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1qha h PRO 670 CO 0.40 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.42 1qha n THR 671 N -3.04 0.02 -3.00 1.56 -2.24 -1.26 -4.71 114.28 101.62 1qha n THR 671 Ca 0.02 -0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.34 1qha n THR 671 Cb 0.40 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.41 1qha n THR 671 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qha n GLU 673 N 6.57 1.79 -4.12 0.00 1.02 -1.17 -4.74 120.64 120.00 1qha n GLU 673 Ca 0.02 -1.59 -0.15 0.00 -0.02 0.00 0.00 57.16 55.41 1qha n GLU 673 Cb 0.48 -1.01 -0.14 0.00 -0.02 0.00 0.00 31.44 30.75 1qha n GLU 673 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1qha s VAL 674 N -1.26 0.35 0.08 2.62 1.01 -1.23 -1.62 120.40 120.35 1qha s VAL 674 Ca 0.09 -0.18 0.10 0.00 0.00 0.00 0.00 61.98 61.98 1qha s VAL 674 Cb 0.08 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 1qha s VAL 674 CO 0.01 0.10 -0.26 -0.83 0.00 0.00 0.00 175.10 174.12 1qha s GLY 675 N -0.06 1.45 -0.01 4.51 0.00 -0.51 -1.20 107.32 111.51 1qha s GLY 675 Ca 0.01 -1.33 0.01 0.00 0.00 0.00 0.00 44.72 43.41 1qha s GLY 675 CO -0.00 -1.26 -0.03 -2.27 0.00 0.00 0.00 173.10 169.54 1qha s LEU 676 N -1.58 1.92 -0.06 0.66 2.96 -0.65 -0.39 118.68 121.53 1qha s LEU 676 Ca 0.12 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 1qha s LEU 676 Cb -0.10 -0.17 0.00 0.00 0.50 0.00 0.00 46.19 46.43 1qha s LEU 676 CO 0.04 0.02 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.30 1qha s ILE 677 N 0.04 1.40 -0.35 6.68 -1.09 0.92 -2.16 121.20 126.66 1qha s ILE 677 Ca -0.00 -0.66 -0.00 0.00 -2.23 0.00 0.00 60.65 57.76 1qha s ILE 677 Cb -0.03 -1.24 0.11 0.00 -1.58 0.00 0.00 42.46 39.73 1qha s ILE 677 CO -0.00 0.41 0.14 -0.69 -1.23 0.00 0.00 174.94 173.57 1qha s VAL 678 N 0.35 0.93 0.00 2.92 1.01 -0.71 -1.65 120.40 123.25 1qha s VAL 678 Ca -0.11 -1.70 0.00 0.00 0.00 0.00 0.00 61.98 60.17 1qha s VAL 678 Cb -0.14 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1qha s VAL 678 CO 0.04 -0.76 0.00 0.61 0.00 0.00 0.00 175.10 174.99 1qha n GLY 679 N 4.46 4.37 0.09 4.51 0.00 -1.26 -2.63 105.19 114.73 1qha n GLY 679 Ca 0.02 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 1qha n GLY 679 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1qha h THR 680 N 0.00 0.87 -4.34 2.61 2.02 -1.94 0.14 112.91 112.28 1qha h THR 680 Ca 0.00 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.01 1qha h THR 680 Cb 0.00 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.25 1qha h THR 680 CO 0.00 0.00 -0.12 0.61 0.37 0.00 0.00 175.52 176.38 1qha n GLY 681 N -1.16 3.78 2.92 2.16 0.00 -1.26 -2.50 105.19 109.14 1qha n GLY 681 Ca -0.06 -2.24 -0.14 0.00 0.00 0.00 0.00 46.02 43.58 1qha n GLY 681 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qha s SER 682 N -1.78 0.35 0.02 1.61 0.15 -1.26 -4.14 113.70 108.65 1qha s SER 682 Ca 0.02 -0.07 -0.29 0.00 0.70 0.00 0.00 55.95 56.31 1qha s SER 682 Cb -0.00 -0.03 0.10 0.00 -1.71 0.00 0.00 66.02 64.38 1qha s SER 682 CO 0.01 0.02 1.09 0.21 1.20 0.00 0.00 173.24 175.77 1qha s ASN 683 N -0.14 -0.17 0.07 5.45 2.47 -0.66 -4.00 114.94 117.97 1qha s ASN 683 Ca 0.00 -0.19 -0.05 0.00 0.42 0.00 0.00 52.86 53.04 1qha s ASN 683 Cb -0.02 0.32 -0.02 0.00 -1.45 0.00 0.00 41.25 40.08 1qha s ASN 683 CO -0.00 -0.56 0.08 0.00 -3.72 0.00 0.00 177.10 172.90 1qha s ALA 684 N -2.86 0.12 0.18 1.71 0.00 -1.26 -0.05 121.76 119.61 1qha s ALA 684 Ca 0.11 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 51.18 1qha s ALA 684 Cb 0.01 0.38 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 1qha s ALA 684 CO -0.03 -0.44 0.08 0.00 0.00 0.00 0.00 175.76 175.37 1qha s TYR 686 N -3.95 -0.21 -0.41 0.00 1.13 -0.94 -1.42 117.35 111.54 1qha s TYR 686 Ca 0.31 -0.06 -0.23 0.00 -1.41 0.00 0.00 57.07 55.68 1qha s TYR 686 Cb 0.07 0.62 0.02 0.00 -1.10 0.00 0.00 41.96 41.57 1qha s TYR 686 CO 0.07 -0.80 0.78 -1.64 -2.51 0.00 0.00 175.55 171.46 1qha s MET 687 N -3.33 3.56 0.14 -3.49 -1.94 -0.64 -0.44 119.30 113.16 1qha s MET 687 Ca 0.10 0.07 0.02 0.00 -1.71 0.00 0.00 55.69 54.17 1qha s MET 687 Cb -0.02 -3.88 -0.04 0.00 2.01 0.00 0.00 34.83 32.91 1qha s MET 687 CO -0.01 -1.00 0.28 -2.00 -0.01 0.00 0.00 175.02 172.28 1qha s GLU 688 N 3.20 3.44 0.26 2.03 2.56 0.51 -4.91 118.70 125.78 1qha s GLU 688 Ca 0.30 -0.56 -0.27 0.00 0.00 0.00 0.00 54.97 54.44 1qha s GLU 688 Cb -0.13 -2.97 -0.09 0.00 2.00 0.00 0.00 34.13 32.94 1qha s GLU 688 CO 0.20 0.53 0.90 -1.21 -0.56 0.00 0.00 175.26 175.13 1qha s GLU 689 N -3.11 4.68 0.35 4.30 8.01 -1.26 -0.16 118.70 131.51 1qha s GLU 689 Ca 0.35 1.35 0.08 0.00 0.01 0.00 0.00 54.97 56.75 1qha s GLU 689 Cb -0.11 -3.09 0.64 0.00 -4.31 0.00 0.00 34.13 27.26 1qha s GLU 689 CO 0.28 0.44 1.82 0.52 0.01 0.00 0.00 175.26 178.33 1qha h MET 690 N 3.79 0.26 -0.92 1.61 2.86 -1.08 0.12 114.93 121.56 1qha h MET 690 Ca -0.46 -0.08 0.18 0.00 -2.06 0.00 0.00 59.70 57.28 1qha h MET 690 Cb 1.20 -0.02 -0.11 0.00 0.06 0.00 0.00 31.60 32.73 1qha h MET 690 CO 0.66 0.49 0.49 -0.22 1.06 0.00 0.00 176.91 179.39 1qha h LYS 691 N 0.23 0.60 0.00 1.72 3.64 -1.79 0.08 116.57 121.05 1qha h LYS 691 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1qha h LYS 691 Cb 0.55 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1qha h LYS 691 CO 0.04 0.40 0.00 0.09 -2.27 0.00 0.00 179.45 177.70 1qha n ASN 692 N -4.88 0.13 -4.39 4.20 3.02 0.39 -4.46 115.26 109.26 1qha n ASN 692 Ca 0.21 0.52 -0.45 0.00 -0.03 0.00 0.00 54.58 54.83 1qha n ASN 692 Cb 0.54 -0.55 -0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1qha n ASN 692 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qha s VAL 693 N -3.04 5.54 -0.98 2.41 1.01 0.01 -4.75 120.40 120.61 1qha s VAL 693 Ca 0.10 -2.93 0.14 0.00 0.00 0.00 0.00 61.98 59.29 1qha s VAL 693 Cb 0.14 -4.71 0.11 0.00 0.00 0.00 0.00 36.38 31.92 1qha s VAL 693 CO 0.42 -1.34 1.44 -0.62 0.00 0.00 0.00 175.10 174.99 1qha n GLU 694 N 4.12 0.01 0.01 2.72 1.02 -1.16 -2.19 120.64 125.17 1qha n GLU 694 Ca 0.27 0.28 0.12 0.00 -0.02 0.00 0.00 57.16 57.81 1qha n GLU 694 Cb 0.42 -1.52 0.19 0.00 -0.02 0.00 0.00 31.44 30.51 1qha n GLU 694 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1qha n MET 695 N -1.53 0.09 -5.20 3.49 2.81 -1.26 -4.69 117.12 110.83 1qha n MET 695 Ca 0.03 0.01 -0.32 0.00 -1.81 0.00 0.00 57.70 55.62 1qha n MET 695 Cb 0.16 -1.54 -0.16 0.00 -0.71 0.00 0.00 33.22 30.96 1qha n MET 695 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1qha s VAL 696 N -3.05 2.17 0.26 2.03 1.01 -0.93 -5.11 120.40 116.77 1qha s VAL 696 Ca 0.09 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 1qha s VAL 696 Cb 0.16 -1.81 -0.10 0.00 0.00 0.00 0.00 36.38 34.63 1qha s VAL 696 CO 0.73 0.56 1.36 -0.70 0.00 0.00 0.00 175.10 177.04 1qha s GLU 697 N 0.05 4.34 0.00 2.72 2.56 -1.26 -4.87 118.70 122.24 1qha s GLU 697 Ca -0.10 2.19 0.00 0.00 0.00 0.00 0.00 54.97 57.07 1qha s GLU 697 Cb -0.15 -3.12 0.00 0.00 2.00 0.00 0.00 34.13 32.85 1qha s GLU 697 CO 0.06 -0.29 0.00 0.41 -0.56 0.00 0.00 175.26 174.88 1qha n GLY 698 N 1.80 3.46 0.11 -1.50 0.00 -1.26 -5.00 105.19 102.79 1qha n GLY 698 Ca 0.04 -1.65 0.01 0.00 0.00 0.00 0.00 46.02 44.42 1qha n GLY 698 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qha n ASP 699 N 0.00 1.32 -4.77 1.61 8.00 -1.26 -4.49 116.55 116.96 1qha n ASP 699 Ca 0.00 -1.20 -0.39 0.00 0.71 0.00 0.00 54.79 53.91 1qha n ASP 699 Cb 0.00 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1qha n ASP 699 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1qha s GLN 700 N -0.30 4.36 2.29 -1.24 0.74 -1.26 -3.91 119.66 120.35 1qha s GLN 700 Ca 0.03 0.86 0.00 0.00 0.05 0.00 0.00 55.36 56.30 1qha s GLN 700 Cb 0.02 -3.32 0.00 0.00 1.10 0.00 0.00 33.01 30.81 1qha s GLN 700 CO 0.03 0.41 0.00 0.41 -0.55 0.00 0.00 175.29 175.60 1qha n GLY 701 N 2.22 -0.67 3.65 2.59 0.00 -1.26 -4.73 105.19 107.00 1qha n GLY 701 Ca -0.06 -1.14 -0.27 0.00 0.00 0.00 0.00 46.02 44.55 1qha n GLY 701 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qha s GLN 702 N 0.00 2.04 -0.03 1.61 -0.21 -1.26 -0.59 119.66 121.22 1qha s GLN 702 Ca 0.00 -2.01 -0.07 0.00 0.02 0.00 0.00 55.36 53.30 1qha s GLN 702 Cb 0.00 -1.75 0.01 0.00 1.00 0.00 0.00 33.01 32.27 1qha s GLN 702 CO 0.00 -0.06 0.16 1.41 -2.12 0.00 0.00 175.29 174.68 1qha s MET 703 N -3.77 0.38 -0.01 2.91 1.75 0.77 -4.54 119.30 116.79 1qha s MET 703 Ca 0.37 -0.13 -0.30 0.00 -1.25 0.00 0.00 55.69 54.37 1qha s MET 703 Cb 0.08 0.16 -0.03 0.00 2.84 0.00 0.00 34.83 37.88 1qha s MET 703 CO 0.19 -0.08 1.01 0.00 -0.65 0.00 0.00 175.02 175.49 1qha s ILE 705 N 1.19 3.45 -0.69 0.00 -1.09 0.42 -2.03 121.20 122.45 1qha s ILE 705 Ca 0.52 -0.49 -0.22 0.00 -2.23 0.00 0.00 60.65 58.23 1qha s ILE 705 Cb -0.21 -2.52 0.08 0.00 -1.58 0.00 0.00 42.46 38.22 1qha s ILE 705 CO 0.26 0.47 0.97 0.21 -1.23 0.00 0.00 174.94 175.62 1qha s ASN 706 N 0.85 6.24 0.32 3.58 2.47 0.10 -2.22 114.94 126.27 1qha s ASN 706 Ca -0.02 -1.18 0.01 0.00 0.42 0.00 0.00 52.86 52.10 1qha s ASN 706 Cb -0.15 -2.41 0.53 0.00 -1.45 0.00 0.00 41.25 37.77 1qha s ASN 706 CO 0.01 -1.37 1.89 0.24 -3.72 0.00 0.00 177.10 174.15 1qha h MET 707 N 9.44 0.73 -6.15 0.43 2.86 -1.67 -1.10 114.93 119.46 1qha h MET 707 Ca -0.22 -0.12 -0.42 0.00 -2.06 0.00 0.00 59.70 56.87 1qha h MET 707 Cb 1.06 -0.12 0.07 0.00 0.06 0.00 0.00 31.60 32.67 1qha h MET 707 CO 1.17 0.63 -0.89 0.39 1.06 0.00 0.00 176.91 179.27 1qha n GLU 708 N -4.32 -2.69 0.00 1.72 -0.58 -1.26 -2.47 120.64 111.05 1qha n GLU 708 Ca 0.04 0.54 0.09 0.00 -0.42 0.00 0.00 57.16 57.40 1qha n GLU 708 Cb 0.19 -4.66 0.45 0.00 -0.57 0.00 0.00 31.44 26.85 1qha n GLU 708 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1qha n TRP 709 N -4.14 0.00 0.16 -0.32 4.27 -1.26 -3.00 117.44 113.14 1qha n TRP 709 Ca -0.18 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.48 1qha n TRP 709 Cb 0.63 -0.24 0.51 0.00 -1.36 0.00 0.00 31.31 30.85 1qha n TRP 709 CO 0.00 0.00 0.00 0.78 -2.29 0.00 0.00 177.69 176.18 1qha h GLY 710 N 2.84 0.19 -0.01 -1.67 0.00 -1.90 -2.55 103.07 99.97 1qha h GLY 710 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1qha h GLY 710 CO 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 176.54 176.61 1qha n ALA 711 N -2.51 2.63 -1.68 3.60 0.00 -1.16 -2.61 120.51 118.78 1qha n ALA 711 Ca -0.01 -0.37 -0.46 0.00 0.00 0.00 0.00 53.44 52.60 1qha n ALA 711 Cb 0.15 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.30 1qha n ALA 711 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1qha n PHE 712 N -0.20 2.39 -0.02 0.00 7.35 -0.96 -0.52 117.46 125.50 1qha n PHE 712 Ca 0.20 0.07 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 1qha n PHE 712 Cb 0.29 -2.63 0.00 0.00 0.35 0.00 0.00 39.48 37.49 1qha n PHE 712 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1qha n GLY 713 N 3.94 0.29 0.06 7.13 0.00 -1.26 -2.29 105.19 113.06 1qha n GLY 713 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1qha n GLY 713 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qha n ASP 714 N 0.00 0.37 -1.80 1.61 9.92 0.32 -2.01 116.55 124.96 1qha n ASP 714 Ca 0.00 0.57 0.07 0.00 -0.53 0.00 0.00 54.79 54.91 1qha n ASP 714 Cb 0.00 -0.66 0.39 0.00 -0.64 0.00 0.00 41.12 40.21 1qha n ASP 714 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1qha n ASN 715 N -1.89 5.41 0.00 -2.24 6.94 -1.26 -4.93 115.26 117.29 1qha n ASN 715 Ca 0.04 -2.79 0.00 0.00 -0.02 0.00 0.00 54.58 51.80 1qha n ASN 715 Cb 0.25 -0.66 0.00 0.00 -2.36 0.00 0.00 39.78 37.01 1qha n ASN 715 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qha n GLY 716 N 0.74 0.62 0.10 4.83 0.00 -0.85 -4.95 105.19 105.68 1qha n GLY 716 Ca 0.27 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.36 1qha n GLY 716 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qha n LEU 718 N -0.51 0.76 -0.10 0.00 4.77 -1.26 -4.80 117.00 115.87 1qha n LEU 718 Ca 0.11 -0.76 0.18 0.00 -0.03 0.00 0.00 56.01 55.50 1qha n LEU 718 Cb 0.09 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 41.77 1qha n LEU 718 CO 0.08 0.19 1.20 0.44 -1.33 0.00 0.00 177.39 177.97 1qha h ASP 719 N 0.00 0.22 -0.02 -1.43 3.32 -1.70 -2.10 116.42 114.71 1qha h ASP 719 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1qha h ASP 719 Cb 0.80 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.32 1qha h ASP 719 CO 0.00 0.11 0.00 -0.90 -1.72 0.00 0.00 179.24 176.73 1qha n ASP 720 N -4.43 0.41 0.00 6.45 5.75 -1.26 -2.42 116.55 121.05 1qha n ASP 720 Ca 0.13 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 1qha n ASP 720 Cb 0.57 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1qha n ASP 720 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1qha n ILE 721 N -0.30 0.00 -2.72 2.12 5.41 -0.84 -5.07 119.36 117.95 1qha n ILE 721 Ca 0.01 -0.07 -0.40 0.00 1.00 0.00 0.00 62.75 63.29 1qha n ILE 721 Cb 0.10 0.62 -0.06 0.00 -0.71 0.00 0.00 39.64 39.58 1qha n ILE 721 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1qha s ARG 722 N -0.35 4.82 0.38 0.38 0.52 -0.91 -4.96 118.95 118.83 1qha s ARG 722 Ca 0.00 1.51 0.07 0.00 -0.52 0.00 0.00 55.73 56.80 1qha s ARG 722 Cb 0.00 -3.24 -0.01 0.00 0.52 0.00 0.00 34.95 32.23 1qha s ARG 722 CO 0.00 0.47 0.46 0.95 0.02 0.00 0.00 175.30 177.20 1qha s THR 723 N -1.21 3.32 0.26 0.02 -4.23 -1.26 -4.98 115.64 107.56 1qha s THR 723 Ca 0.42 -1.13 -0.04 0.00 -1.18 0.00 0.00 61.69 59.76 1qha s THR 723 Cb -0.26 -3.14 0.30 0.00 1.34 0.00 0.00 72.50 70.74 1qha s THR 723 CO 0.32 -0.07 1.63 -0.74 -0.54 0.00 0.00 174.62 175.22 1qha h HIS 724 N 0.89 0.04 -0.19 3.99 2.76 -1.99 0.10 115.15 120.76 1qha h HIS 724 Ca -0.43 0.06 -0.12 0.00 -2.20 0.00 0.00 60.37 57.68 1qha h HIS 724 Cb 1.27 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 30.32 1qha h HIS 724 CO 0.45 -0.25 -0.39 1.88 -1.30 0.00 0.00 177.93 178.32 1qha h TYR 725 N 0.12 0.51 -0.02 5.26 0.05 -1.95 -0.43 116.97 120.51 1qha h TYR 725 Ca 0.46 -0.14 -0.08 0.00 0.05 0.00 0.00 58.73 59.03 1qha h TYR 725 Cb 0.86 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.48 1qha h TYR 725 CO -0.40 0.77 -0.35 -0.44 -1.05 0.00 0.00 178.16 176.69 1qha h ASP 726 N 0.36 0.04 0.98 3.88 3.32 -1.28 -2.67 116.42 121.05 1qha h ASP 726 Ca 0.03 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 56.89 1qha h ASP 726 Cb 0.85 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.37 1qha h ASP 726 CO 0.07 0.39 -0.86 0.03 -1.72 0.00 0.00 179.24 177.14 1qha h ARG 727 N 0.04 0.00 -0.01 3.56 3.08 0.35 -2.65 114.38 118.74 1qha h ARG 727 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qha h ARG 727 Cb 0.63 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 1qha h ARG 727 CO 0.05 0.86 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.74 1qha h LEU 728 N 0.00 0.03 -0.76 3.04 3.38 -0.89 -0.68 115.31 119.42 1qha h LEU 728 Ca -0.01 -0.36 0.06 0.00 0.09 0.00 0.00 57.88 57.67 1qha h LEU 728 Cb 1.58 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 42.27 1qha h LEU 728 CO 0.11 0.38 0.45 0.58 0.09 0.00 0.00 178.44 180.05 1qha h VAL 729 N -0.33 0.99 -0.30 1.22 2.07 -1.57 -1.32 116.25 117.01 1qha h VAL 729 Ca 0.00 -0.28 -0.08 0.00 0.82 0.00 0.00 66.70 67.16 1qha h VAL 729 Cb 0.37 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1qha h VAL 729 CO 0.00 0.15 -0.14 -1.13 0.02 0.00 0.00 177.57 176.47 1qha h ASN 730 N 0.81 0.64 0.69 0.57 -1.24 -1.26 -2.94 115.58 112.85 1qha h ASN 730 Ca 0.34 -0.40 -0.03 0.00 0.71 0.00 0.00 56.30 56.92 1qha h ASN 730 Cb 0.20 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.07 1qha h ASN 730 CO -0.19 0.90 -0.13 -0.08 -1.29 0.00 0.00 177.43 176.65 1qha h GLU 731 N 0.38 0.00 -0.69 6.67 4.57 -0.83 -1.65 114.58 123.03 1qha h GLU 731 Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1qha h GLU 731 Cb 0.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1qha h GLU 731 CO 0.04 0.13 0.00 0.66 -1.18 0.00 0.00 179.01 178.66 1qha n TYR 732 N -3.39 1.09 -2.52 0.92 4.01 -0.52 -4.86 117.16 111.89 1qha n TYR 732 Ca -0.01 -0.53 -0.25 0.00 -0.16 0.00 0.00 57.90 56.95 1qha n TYR 732 Cb 0.32 -0.07 0.04 0.00 -0.31 0.00 0.00 39.34 39.31 1qha n TYR 732 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1qha s SER 733 N -0.98 5.44 0.02 7.72 1.04 -0.62 -4.95 113.70 121.37 1qha s SER 733 Ca 0.48 0.46 0.16 0.00 0.48 0.00 0.00 55.95 57.54 1qha s SER 733 Cb 0.27 -1.42 0.69 0.00 0.10 0.00 0.00 66.02 65.66 1qha s SER 733 CO 0.30 -1.11 1.52 0.18 0.98 0.00 0.00 173.24 175.11 1qha n LEU 734 N -2.51 0.05 -3.08 2.42 4.77 -1.26 -3.85 117.00 113.55 1qha n LEU 734 Ca 0.05 0.51 -0.17 0.00 -0.03 0.00 0.00 56.01 56.37 1qha n LEU 734 Cb 0.58 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1qha n LEU 734 CO 0.50 -0.25 -0.12 -0.46 -1.33 0.00 0.00 177.39 175.73 1qha n ASN 735 N -1.55 -0.22 -4.66 -1.43 6.94 -1.26 -5.09 115.26 107.99 1qha n ASN 735 Ca 0.04 -3.06 -0.57 0.00 -0.02 0.00 0.00 54.58 50.97 1qha n ASN 735 Cb 0.19 0.01 -0.07 0.00 -2.36 0.00 0.00 39.78 37.55 1qha n ASN 735 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1qha n ALA 736 N 0.75 0.03 0.00 -2.53 0.00 -1.25 -0.54 120.51 116.96 1qha n ALA 736 Ca 0.19 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1qha n ALA 736 Cb 0.63 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1qha n ALA 736 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qha n GLY 737 N 4.68 1.93 3.48 0.00 0.00 -1.26 -5.03 105.19 108.98 1qha n GLY 737 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 1qha n GLY 737 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qha s LYS 738 N -0.97 1.70 -1.25 1.61 1.02 0.30 -4.74 119.74 117.41 1qha s LYS 738 Ca 0.00 -1.72 -0.07 0.00 0.02 0.00 0.00 55.97 54.19 1qha s LYS 738 Cb 0.00 -1.80 -0.01 0.00 -0.52 0.00 0.00 37.83 35.50 1qha s LYS 738 CO 0.00 0.34 0.69 1.04 -0.92 0.00 0.00 175.35 176.50 1qha n GLN 739 N -0.55 -3.15 -0.02 1.68 1.13 -1.26 -4.90 117.38 110.31 1qha n GLN 739 Ca -0.06 0.55 -0.12 0.00 -1.94 0.00 0.00 57.00 55.43 1qha n GLN 739 Cb 0.60 -4.76 -0.07 0.00 0.11 0.00 0.00 30.24 26.12 1qha n GLN 739 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1qha h ARG 740 N -1.80 0.14 -0.28 -1.09 3.08 -1.66 -1.98 114.38 110.79 1qha h ARG 740 Ca -0.63 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 59.42 1qha h ARG 740 Cb 1.36 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.35 1qha h ARG 740 CO 0.54 0.32 0.06 -0.92 -1.07 0.00 0.00 179.97 178.90 1qha h TYR 741 N -0.06 0.10 -0.96 3.04 3.20 -1.30 -2.93 116.97 118.06 1qha h TYR 741 Ca 0.03 0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.99 1qha h TYR 741 Cb 0.24 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.44 1qha h TYR 741 CO 0.00 0.03 0.61 1.49 -1.64 0.00 0.00 178.16 178.65 1qha h GLU 742 N 0.17 1.04 -0.09 1.82 4.81 -1.42 -1.22 114.58 119.68 1qha h GLU 742 Ca 0.13 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1qha h GLU 742 Cb 0.13 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1qha h GLU 742 CO -0.16 0.69 0.17 0.87 -0.73 0.00 0.00 179.01 179.84 1qha h LYS 743 N 1.07 0.00 -0.01 1.92 1.57 -1.18 0.10 116.57 120.05 1qha h LYS 743 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1qha h LYS 743 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1qha h LYS 743 CO -0.19 0.00 -0.29 -1.33 -0.57 0.00 0.00 179.45 177.06 1qha n MET 744 N -3.45 1.07 0.00 3.15 2.81 -0.47 -4.57 117.12 115.66 1qha n MET 744 Ca -0.00 -0.74 0.00 0.00 -1.81 0.00 0.00 57.70 55.15 1qha n MET 744 Cb 0.26 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 1qha n MET 744 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1qha n ILE 745 N -0.32 0.00 -2.92 2.02 5.41 -0.13 -4.01 119.36 119.41 1qha n ILE 745 Ca 0.12 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.65 1qha n ILE 745 Cb 0.39 -0.83 0.02 0.00 -0.71 0.00 0.00 39.64 38.51 1qha n ILE 745 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1qha s SER 746 N -4.33 5.66 0.46 4.38 1.04 0.17 -4.86 113.70 116.23 1qha s SER 746 Ca 0.00 0.13 0.13 0.00 0.48 0.00 0.00 55.95 56.69 1qha s SER 746 Cb 0.00 -1.27 1.07 0.00 0.10 0.00 0.00 66.02 65.92 1qha s SER 746 CO 0.00 -0.82 2.06 1.23 0.98 0.00 0.00 173.24 176.69 1qha h GLY 747 N 0.35 0.11 2.00 7.32 0.00 -0.78 -0.50 103.07 111.57 1qha h GLY 747 Ca -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1qha h GLY 747 CO 0.55 0.05 0.00 1.98 0.00 0.00 0.00 176.54 179.12 1qha h MET 748 N 0.11 0.00 0.00 4.80 1.85 -1.64 -3.38 114.93 116.67 1qha h MET 748 Ca 0.03 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.12 1qha h MET 748 Cb 0.14 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.17 1qha h MET 748 CO 0.01 0.00 -0.81 0.66 -0.40 0.00 0.00 176.91 176.36 1qha n TYR 749 N -3.08 0.00 -0.28 1.39 4.01 -0.25 -4.70 117.16 114.24 1qha n TYR 749 Ca -0.01 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1qha n TYR 749 Cb 0.22 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.37 1qha n TYR 749 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1qha h LEU 750 N 0.00 0.76 -1.30 7.72 3.38 -1.59 -1.52 115.31 122.76 1qha h LEU 750 Ca 0.00 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1qha h LEU 750 Cb 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1qha h LEU 750 CO 0.00 0.50 -0.29 1.23 0.09 0.00 0.00 178.44 179.96 1qha h GLY 751 N 0.90 0.10 1.94 0.83 0.00 -1.80 -0.56 103.07 104.48 1qha h GLY 751 Ca 0.34 -0.07 -0.18 0.00 0.00 0.00 0.00 47.33 47.42 1qha h GLY 751 CO -0.16 0.07 -0.82 0.83 0.00 0.00 0.00 176.54 176.45 1qha h GLU 752 N 0.08 0.05 -0.10 4.80 4.39 -1.60 0.22 114.58 122.43 1qha h GLU 752 Ca 0.01 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1qha h GLU 752 Cb 0.56 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1qha h GLU 752 CO 0.04 0.84 0.04 0.82 -1.16 0.00 0.00 179.01 179.59 1qha h ILE 753 N 0.03 1.16 -0.48 3.13 2.04 -0.40 -0.79 117.51 122.19 1qha h ILE 753 Ca -0.02 -0.48 -0.07 0.00 1.00 0.00 0.00 64.86 65.30 1qha h ILE 753 Cb 1.44 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.79 1qha h ILE 753 CO 0.11 0.14 0.02 0.58 0.00 0.00 0.00 178.15 179.00 1qha h VAL 754 N -0.01 1.24 -0.60 1.67 2.07 -0.74 -2.13 116.25 117.76 1qha h VAL 754 Ca 0.03 -0.96 -0.10 0.00 0.82 0.00 0.00 66.70 66.49 1qha h VAL 754 Cb 0.19 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1qha h VAL 754 CO -0.00 0.34 -0.03 -0.09 0.02 0.00 0.00 177.57 177.81 1qha h ARG 755 N 0.73 1.07 -0.11 1.57 2.43 -0.12 -2.03 114.38 117.92 1qha h ARG 755 Ca 0.15 -0.36 -0.15 0.00 -0.81 0.00 0.00 59.98 58.81 1qha h ARG 755 Cb 0.42 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1qha h ARG 755 CO 0.02 1.06 -0.59 -0.91 -1.51 0.00 0.00 179.97 178.03 1qha h ASN 756 N 0.97 0.41 -0.62 -3.80 4.21 -0.92 -1.66 115.58 114.17 1qha h ASN 756 Ca 0.17 -0.23 -0.00 0.00 1.21 0.00 0.00 56.30 57.44 1qha h ASN 756 Cb 0.59 -0.12 -0.03 0.00 -1.12 0.00 0.00 38.32 37.64 1qha h ASN 756 CO 0.04 0.91 0.37 0.40 -1.29 0.00 0.00 177.43 177.86 1qha h ILE 757 N 0.27 1.18 -0.44 2.81 2.04 -1.15 -2.52 117.51 119.70 1qha h ILE 757 Ca -0.00 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.37 1qha h ILE 757 Cb 1.12 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1qha h ILE 757 CO 0.10 0.19 -0.07 -0.07 0.00 0.00 0.00 178.15 178.30 1qha h LEU 758 N 0.84 0.74 0.02 1.44 3.38 -1.14 -2.14 115.31 118.44 1qha h LEU 758 Ca 0.22 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1qha h LEU 758 Cb -0.02 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1qha h LEU 758 CO -0.04 0.85 -0.11 0.40 0.09 0.00 0.00 178.44 179.63 1qha h ILE 759 N 0.69 0.73 0.07 1.22 2.04 -1.12 0.10 117.51 121.24 1qha h ILE 759 Ca 0.13 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.00 1qha h ILE 759 Cb 0.53 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1qha h ILE 759 CO 0.03 0.00 -0.47 0.44 0.00 0.00 0.00 178.15 178.15 1qha h ASP 760 N -0.20 -1.44 -0.96 1.72 5.19 -1.18 -1.59 116.42 117.96 1qha h ASP 760 Ca 0.03 0.15 0.22 0.00 -0.62 0.00 0.00 57.03 56.82 1qha h ASP 760 Cb 0.24 0.54 -0.08 0.00 0.18 0.00 0.00 39.33 40.20 1qha h ASP 760 CO -0.09 -0.48 0.63 -0.26 -3.12 0.00 0.00 179.24 175.91 1qha h PHE 761 N -0.64 0.63 -0.15 4.55 -1.00 -1.30 -0.89 116.94 118.13 1qha h PHE 761 Ca 0.00 0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.73 1qha h PHE 761 Cb 0.66 -0.19 -0.00 0.00 3.61 0.00 0.00 35.95 40.03 1qha h PHE 761 CO -0.46 0.13 -0.19 1.15 -1.61 0.00 0.00 178.31 177.33 1qha h THR 762 N 0.44 1.35 0.00 -1.55 2.02 -0.36 0.18 112.91 114.99 1qha h THR 762 Ca 0.52 -1.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.29 1qha h THR 762 Cb 1.26 1.91 -0.00 0.00 -1.74 0.00 0.00 68.15 69.58 1qha h THR 762 CO -0.23 0.41 -0.09 0.11 0.37 0.00 0.00 175.52 176.09 1qha h LYS 763 N 0.02 0.00 -0.42 6.66 1.57 -0.87 0.65 116.57 124.18 1qha h LYS 763 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1qha h LYS 763 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1qha h LYS 763 CO 0.05 0.09 0.00 1.63 -0.57 0.00 0.00 179.45 180.65 1qha n LYS 764 N -4.04 1.83 -1.05 3.15 5.02 -0.38 -4.93 118.16 117.77 1qha n LYS 764 Ca -0.02 -1.00 -0.02 0.00 -2.02 0.00 0.00 58.31 55.24 1qha n LYS 764 Cb 0.18 -1.36 -0.01 0.00 -0.02 0.00 0.00 35.03 33.82 1qha n LYS 764 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qha n GLY 765 N 0.74 0.42 0.10 0.72 0.00 0.23 -4.91 105.19 102.47 1qha n GLY 765 Ca 0.09 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.13 1qha n GLY 765 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1qha h PHE 766 N 0.00 0.00 -3.96 1.61 0.04 -0.80 -3.40 116.94 110.43 1qha h PHE 766 Ca -0.03 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.62 1qha h PHE 766 Cb 0.47 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 38.46 1qha h PHE 766 CO 0.28 0.00 -0.54 -1.17 -0.60 0.00 0.00 178.31 176.28 1qha s LEU 767 N -4.64 1.95 -0.91 1.54 0.20 -1.24 -4.90 118.68 110.68 1qha s LEU 767 Ca 0.06 -0.73 -0.04 0.00 0.69 0.00 0.00 54.13 54.11 1qha s LEU 767 Cb 0.12 0.56 0.03 0.00 -0.43 0.00 0.00 46.19 46.47 1qha s LEU 767 CO 0.70 -0.59 0.18 0.49 -0.29 0.00 0.00 176.35 176.84 1qha n PHE 768 N 0.34 -1.66 -1.95 5.38 3.72 -1.26 -1.24 117.46 120.79 1qha n PHE 768 Ca -0.16 0.18 -0.14 0.00 -0.05 0.00 0.00 57.45 57.28 1qha n PHE 768 Cb 0.60 -2.35 -0.03 0.00 -0.94 0.00 0.00 39.48 36.76 1qha n PHE 768 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1qha n ARG 769 N -3.08 -1.73 -0.93 -1.08 3.00 -1.26 -1.29 116.66 110.29 1qha n ARG 769 Ca -0.06 0.76 0.00 0.00 -0.01 0.00 0.00 57.85 58.54 1qha n ARG 769 Cb 0.55 -5.21 0.00 0.00 0.00 0.00 0.00 32.46 27.81 1qha n ARG 769 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1qha n GLY 770 N -0.57 0.56 3.44 -0.13 0.00 -0.37 -4.98 105.19 103.14 1qha n GLY 770 Ca -0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 1qha n GLY 770 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qha s GLN 771 N -0.39 3.08 -0.55 1.61 1.11 -0.41 -4.66 119.66 119.45 1qha s GLN 771 Ca 0.00 -0.97 -0.28 0.00 0.01 0.00 0.00 55.36 54.12 1qha s GLN 771 Cb 0.00 -4.08 0.03 0.00 -1.01 0.00 0.00 33.01 27.95 1qha s GLN 771 CO 0.00 -1.09 1.23 0.42 0.01 0.00 0.00 175.29 175.86 1qha s ILE 772 N 2.29 4.00 0.86 1.08 1.01 -1.26 -4.94 121.20 124.24 1qha s ILE 772 Ca 0.12 0.92 -0.08 0.00 0.00 0.00 0.00 60.65 61.62 1qha s ILE 772 Cb -0.20 -4.63 0.18 0.00 0.01 0.00 0.00 42.46 37.82 1qha s ILE 772 CO 0.11 -1.22 1.17 -0.94 0.00 0.00 0.00 174.94 174.06 1qha s SER 773 N 3.17 3.57 0.17 3.58 1.04 -1.26 -4.96 113.70 119.00 1qha s SER 773 Ca 0.46 -0.22 -0.07 0.00 0.48 0.00 0.00 55.95 56.60 1qha s SER 773 Cb -0.08 0.10 0.05 0.00 0.10 0.00 0.00 66.02 66.19 1qha s SER 773 CO 0.27 -2.41 1.50 -0.33 0.98 0.00 0.00 173.24 173.26 1qha h GLU 774 N -1.12 0.77 -0.19 4.02 4.39 -1.97 -2.29 114.58 118.19 1qha h GLU 774 Ca -0.39 -0.42 0.02 0.00 0.34 0.00 0.00 59.36 58.92 1qha h GLU 774 Cb 1.24 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 1qha h GLU 774 CO 0.34 1.05 0.04 1.15 -1.16 0.00 0.00 179.01 180.43 1qha h THR 775 N 0.62 0.92 0.00 1.13 2.02 -1.95 -2.48 112.91 113.17 1qha h THR 775 Ca 0.04 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1qha h THR 775 Cb 1.00 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1qha h THR 775 CO 0.10 0.02 0.00 0.25 0.37 0.00 0.00 175.52 176.26 1qha h LEU 776 N 0.12 0.00 -0.27 2.58 5.85 -1.83 -1.31 115.31 120.45 1qha h LEU 776 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1qha h LEU 776 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 1qha h LEU 776 CO -0.11 0.00 -0.36 0.29 -0.34 0.00 0.00 178.44 177.91 1qha n LYS 777 N -2.98 0.46 -2.83 1.25 5.02 -0.90 -4.88 118.16 113.30 1qha n LYS 777 Ca -0.00 -0.27 -0.41 0.00 -2.02 0.00 0.00 58.31 55.60 1qha n LYS 777 Cb 0.22 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.70 1qha n LYS 777 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1qha s THR 778 N -2.72 4.89 0.19 -0.18 2.01 -0.50 -5.03 115.64 114.31 1qha s THR 778 Ca 0.18 1.79 -0.30 0.00 0.31 0.00 0.00 61.69 63.67 1qha s THR 778 Cb 0.18 -4.20 -0.08 0.00 0.01 0.00 0.00 72.50 68.41 1qha s THR 778 CO 0.60 0.10 1.26 -0.13 -0.69 0.00 0.00 174.62 175.76 1qha s ARG 779 N 1.58 4.43 0.00 4.92 0.52 -1.26 -3.60 118.95 125.54 1qha s ARG 779 Ca 0.44 1.98 0.00 0.00 -0.52 0.00 0.00 55.73 57.62 1qha s ARG 779 Cb -0.18 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 32.07 1qha s ARG 779 CO 0.18 -0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.73 1qha n GLY 780 N 2.27 0.80 0.26 -3.53 0.00 -1.26 -4.95 105.19 98.79 1qha n GLY 780 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1qha n GLY 780 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1qha h ILE 781 N 0.00 1.20 -2.31 -0.61 -0.00 -1.92 -3.17 117.51 110.70 1qha h ILE 781 Ca 0.00 -0.82 -0.79 0.00 -0.00 0.00 0.00 64.86 63.25 1qha h ILE 781 Cb 0.00 1.03 -0.23 0.00 -0.00 0.00 0.00 36.82 37.62 1qha h ILE 781 CO 0.00 0.27 1.27 0.49 -0.00 0.00 0.00 178.15 180.18 1qha n PHE 782 N -4.27 2.49 -1.45 2.19 3.72 -1.26 -4.97 117.46 113.90 1qha n PHE 782 Ca 0.01 -2.64 -0.29 0.00 -0.05 0.00 0.00 57.45 54.47 1qha n PHE 782 Cb 0.26 -1.49 0.12 0.00 -0.94 0.00 0.00 39.48 37.43 1qha n PHE 782 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 1qha s GLU 783 N -1.81 1.57 0.16 -1.08 -1.05 -1.20 -4.10 118.70 111.19 1qha s GLU 783 Ca 0.35 0.58 -0.18 0.00 -0.15 0.00 0.00 54.97 55.56 1qha s GLU 783 Cb 0.08 -1.86 0.08 0.00 -0.44 0.00 0.00 34.13 31.99 1qha s GLU 783 CO 0.05 -1.97 1.66 1.15 0.95 0.00 0.00 175.26 177.10 1qha h THR 784 N -1.34 0.54 -0.69 1.83 2.02 -1.95 -1.27 112.91 112.05 1qha h THR 784 Ca -0.49 0.00 0.13 0.00 0.77 0.00 0.00 66.41 66.82 1qha h THR 784 Cb 1.29 0.54 -0.09 0.00 -1.74 0.00 0.00 68.15 68.14 1qha h THR 784 CO 0.59 0.00 0.21 0.50 0.37 0.00 0.00 175.52 177.19 1qha h LYS 785 N -0.07 0.33 0.01 6.66 3.64 -1.95 -0.02 116.57 125.18 1qha h LYS 785 Ca 0.18 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.35 1qha h LYS 785 Cb 0.34 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1qha h LYS 785 CO -0.41 0.22 -0.90 0.74 -2.27 0.00 0.00 179.45 176.83 1qha h PHE 786 N 0.34 0.09 -0.20 1.91 0.04 -1.60 -2.71 116.94 114.82 1qha h PHE 786 Ca 0.37 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 61.06 1qha h PHE 786 Cb 0.56 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.70 1qha h PHE 786 CO -0.21 0.92 0.04 -0.07 -0.60 0.00 0.00 178.31 178.39 1qha h LEU 787 N 0.03 0.31 -0.48 1.54 -0.00 -0.87 -0.20 115.31 115.64 1qha h LEU 787 Ca -0.02 -0.24 -0.00 0.00 -0.00 0.00 0.00 57.88 57.61 1qha h LEU 787 Cb 1.57 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 42.13 1qha h LEU 787 CO 0.12 0.47 0.29 0.28 -0.00 0.00 0.00 178.44 179.61 1qha h SER 788 N 0.13 0.58 0.15 -0.43 0.02 -1.04 -2.87 113.55 110.10 1qha h SER 788 Ca 0.06 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1qha h SER 788 Cb 0.29 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1qha h SER 788 CO 0.00 0.46 -0.07 1.56 -1.14 0.00 0.00 176.83 177.64 1qha h GLN 789 N 0.65 -0.19 -0.95 3.45 4.20 -1.20 -2.18 115.11 118.89 1qha h GLN 789 Ca 0.17 0.01 0.25 0.00 0.06 0.00 0.00 58.65 59.15 1qha h GLN 789 Cb -0.01 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 1qha h GLN 789 CO -0.03 -0.01 0.65 0.82 -0.67 0.00 0.00 178.83 179.59 1qha h ILE 790 N -0.34 0.58 -0.01 2.54 2.04 -1.01 0.52 117.51 121.82 1qha h ILE 790 Ca -0.02 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1qha h ILE 790 Cb 0.27 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1qha h ILE 790 CO 0.03 0.04 -0.38 -0.62 0.00 0.00 0.00 178.15 177.22 1qha n GLU 791 N -4.40 0.96 -1.90 2.37 1.02 -1.09 -4.92 120.64 112.68 1qha n GLU 791 Ca 0.21 -0.68 -0.41 0.00 -0.02 0.00 0.00 57.16 56.25 1qha n GLU 791 Cb 0.89 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.80 1qha n GLU 791 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1qha s SER 792 N -2.51 6.52 0.55 1.62 0.15 0.17 -4.90 113.70 115.30 1qha s SER 792 Ca 0.21 2.79 0.35 0.00 0.70 0.00 0.00 55.95 60.00 1qha s SER 792 Cb 0.19 -2.63 1.61 0.00 -1.71 0.00 0.00 66.02 63.48 1qha s SER 792 CO 0.56 -0.80 2.05 0.44 1.20 0.00 0.00 173.24 176.68 1qha h ASP 793 N 5.10 0.00 0.42 5.45 3.32 -1.92 -2.27 116.42 126.52 1qha h ASP 793 Ca -0.46 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.57 1qha h ASP 793 Cb 1.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 1qha h ASP 793 CO 0.80 0.00 -0.07 0.03 -1.72 0.00 0.00 179.24 178.28 1qha h ARG 794 N 0.00 0.00 -6.03 3.56 3.08 -1.93 -3.45 114.38 109.60 1qha h ARG 794 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1qha h ARG 794 Cb 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 1qha h ARG 794 CO 0.00 0.07 -0.46 -0.51 -1.07 0.00 0.00 179.97 178.00 1qha s LEU 795 N -6.84 4.34 0.24 3.04 1.02 -0.86 -5.12 118.68 114.50 1qha s LEU 795 Ca -0.02 0.20 0.07 0.00 0.02 0.00 0.00 54.13 54.40 1qha s LEU 795 Cb 0.12 -2.94 -0.04 0.00 0.02 0.00 0.00 46.19 43.36 1qha s LEU 795 CO 0.54 0.07 0.14 0.00 0.02 0.00 0.00 176.35 177.12 1qha s ALA 796 N -1.71 3.49 0.33 4.21 0.00 -1.26 -4.94 121.76 121.88 1qha s ALA 796 Ca 0.35 -1.43 0.09 0.00 0.00 0.00 0.00 51.96 50.97 1qha s ALA 796 Cb -0.11 -1.20 0.98 0.00 0.00 0.00 0.00 23.12 22.79 1qha s ALA 796 CO 0.28 0.30 1.56 -0.11 0.00 0.00 0.00 175.76 177.80 1qha n LEU 797 N -0.95 0.06 -0.21 0.00 7.94 -1.26 -0.81 117.00 121.77 1qha n LEU 797 Ca -0.08 1.68 0.00 0.00 -1.11 0.00 0.00 56.01 56.50 1qha n LEU 797 Cb 0.57 -0.69 0.08 0.00 0.53 0.00 0.00 43.42 43.92 1qha n LEU 797 CO 0.42 -1.76 0.78 0.25 -1.11 0.00 0.00 177.39 175.97 1qha h LEU 798 N 0.00 -0.45 -0.23 -1.96 5.85 -1.99 0.16 115.31 116.68 1qha h LEU 798 Ca 0.70 0.17 -0.13 0.00 0.84 0.00 0.00 57.88 59.45 1qha h LEU 798 Cb 1.62 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 42.97 1qha h LEU 798 CO -0.87 -0.17 -0.64 1.56 -0.34 0.00 0.00 178.44 177.98 1qha h GLN 799 N 0.05 0.00 0.31 1.25 1.08 -1.36 -1.83 115.11 114.61 1qha h GLN 799 Ca 0.31 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.50 1qha h GLN 799 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1qha h GLN 799 CO -0.60 0.64 -0.15 0.28 -0.95 0.00 0.00 178.83 178.05 1qha h VAL 800 N 0.00 0.70 -0.64 -0.54 2.07 -0.33 -1.04 116.25 116.47 1qha h VAL 800 Ca -0.01 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.55 1qha h VAL 800 Cb 1.39 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.82 1qha h VAL 800 CO 0.08 0.01 0.28 -0.09 0.02 0.00 0.00 177.57 177.88 1qha h ARG 801 N -0.45 0.48 -0.40 1.57 2.43 -0.66 -1.47 114.38 115.88 1qha h ARG 801 Ca -0.04 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1qha h ARG 801 Cb 0.34 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1qha h ARG 801 CO 0.07 0.32 0.01 0.00 -1.51 0.00 0.00 179.97 178.86 1qha h ALA 802 N 1.41 1.27 0.14 2.80 0.00 -1.09 -1.09 119.26 122.71 1qha h ALA 802 Ca 0.32 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1qha h ALA 802 Cb 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1qha h ALA 802 CO -0.28 0.49 -0.07 0.82 0.00 0.00 0.00 179.25 180.21 1qha h ILE 803 N 0.60 0.86 -0.66 0.00 1.08 -0.20 -0.52 117.51 118.68 1qha h ILE 803 Ca 0.13 -0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.65 1qha h ILE 803 Cb 0.36 0.87 -0.04 0.00 -3.07 0.00 0.00 36.82 34.94 1qha h ILE 803 CO 0.01 0.00 0.43 -0.07 -0.69 0.00 0.00 178.15 177.84 1qha h LEU 804 N -0.19 0.59 -0.22 1.44 3.38 -1.00 0.13 115.31 119.44 1qha h LEU 804 Ca -0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1qha h LEU 804 Cb 0.15 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1qha h LEU 804 CO 0.03 0.39 -0.38 1.56 0.09 0.00 0.00 178.44 180.13 1qha h GLN 805 N 0.67 0.64 0.00 1.13 1.08 -0.84 0.43 115.11 118.23 1qha h GLN 805 Ca 0.28 -0.40 -0.05 0.00 -1.45 0.00 0.00 58.65 57.03 1qha h GLN 805 Cb 0.25 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1qha h GLN 805 CO -0.09 1.01 -0.25 0.37 -0.95 0.00 0.00 178.83 178.93 1qha h GLN 806 N 0.34 0.00 0.00 1.46 4.15 -0.54 0.12 115.11 120.64 1qha h GLN 806 Ca 0.02 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 1qha h GLN 806 Cb 0.97 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.65 1qha h GLN 806 CO 0.09 0.25 -0.16 -0.07 -1.93 0.00 0.00 178.83 177.01 1qha h LEU 807 N 0.00 0.00 0.00 -2.39 3.38 -0.41 -3.46 115.31 112.43 1qha h LEU 807 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qha h LEU 807 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1qha h LEU 807 CO 0.03 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.33 1qha n GLY 808 N -0.85 1.43 3.87 0.83 0.00 0.03 -5.01 105.19 105.50 1qha n GLY 808 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 1qha n GLY 808 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qha s LEU 809 N 0.00 4.41 -1.29 0.99 1.43 0.15 -4.82 118.68 119.55 1qha s LEU 809 Ca 0.00 0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 53.59 1qha s LEU 809 Cb 0.00 -2.42 0.12 0.00 0.03 0.00 0.00 46.19 43.92 1qha s LEU 809 CO 0.00 0.33 1.73 -3.20 0.23 0.00 0.00 176.35 175.44 1qha n ASN 810 N 1.64 4.92 -4.57 2.29 5.15 -1.26 -3.66 115.26 119.77 1qha n ASN 810 Ca -0.15 -2.97 -0.35 0.00 -0.60 0.00 0.00 54.58 50.50 1qha n ASN 810 Cb 0.54 -1.62 -0.11 0.00 -0.53 0.00 0.00 39.78 38.06 1qha n ASN 810 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1qha s SER 811 N 2.88 5.50 0.75 1.20 0.15 -1.26 -4.71 113.70 118.21 1qha s SER 811 Ca 0.46 -0.02 -0.06 0.00 0.70 0.00 0.00 55.95 57.03 1qha s SER 811 Cb 0.04 -1.97 0.11 0.00 -1.71 0.00 0.00 66.02 62.50 1qha s SER 811 CO 0.01 0.08 1.06 0.42 1.20 0.00 0.00 173.24 176.01 1qha s THR 812 N 0.91 2.20 0.20 6.45 -4.23 -1.26 -4.86 115.64 115.05 1qha s THR 812 Ca 0.04 -0.35 -0.10 0.00 -1.18 0.00 0.00 61.69 60.10 1qha s THR 812 Cb -0.14 -2.85 0.12 0.00 1.34 0.00 0.00 72.50 70.98 1qha s THR 812 CO 0.03 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 175.92 1qha h ASP 814 N 0.69 0.51 -0.60 0.00 3.32 -1.94 0.06 116.42 118.46 1qha h ASP 814 Ca 0.27 -0.18 0.10 0.00 0.02 0.00 0.00 57.03 57.25 1qha h ASP 814 Cb 0.12 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.46 1qha h ASP 814 CO -0.15 0.55 0.18 0.44 -1.72 0.00 0.00 179.24 178.53 1qha h ASP 815 N 0.44 0.12 -0.45 6.45 3.32 -1.86 -1.27 116.42 123.17 1qha h ASP 815 Ca 0.12 0.09 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 1qha h ASP 815 Cb 0.20 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1qha h ASP 815 CO -0.01 0.07 -0.08 0.28 -1.72 0.00 0.00 179.24 177.79 1qha h SER 816 N 0.33 0.89 -0.80 6.45 0.02 -0.62 -0.33 113.55 119.49 1qha h SER 816 Ca 0.31 -0.26 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1qha h SER 816 Cb 0.42 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.68 1qha h SER 816 CO -0.35 0.99 0.52 0.40 -1.14 0.00 0.00 176.83 177.26 1qha h ILE 817 N 0.81 1.21 0.08 3.27 2.04 0.19 -2.90 117.51 122.20 1qha h ILE 817 Ca 0.14 -0.39 -0.24 0.00 1.00 0.00 0.00 64.86 65.37 1qha h ILE 817 Cb 0.59 0.04 0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1qha h ILE 817 CO 0.04 0.20 -1.00 0.25 0.00 0.00 0.00 178.15 177.63 1qha h LEU 818 N 1.08 0.75 -0.77 1.44 5.85 -0.97 -2.58 115.31 120.12 1qha h LEU 818 Ca 0.29 -0.81 0.13 0.00 0.84 0.00 0.00 57.88 58.33 1qha h LEU 818 Cb -0.12 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 40.59 1qha h LEU 818 CO -0.06 1.48 0.35 0.58 -0.34 0.00 0.00 178.44 180.44 1qha h VAL 819 N 0.12 0.72 0.17 1.05 2.07 -1.06 -1.58 116.25 117.74 1qha h VAL 819 Ca -0.15 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1qha h VAL 819 Cb 1.70 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1qha h VAL 819 CO 0.19 0.10 -0.08 0.50 0.02 0.00 0.00 177.57 178.30 1qha h LYS 820 N 0.52 -0.23 -0.53 1.57 3.64 -1.51 0.78 116.57 120.82 1qha h LYS 820 Ca 0.41 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.91 1qha h LYS 820 Cb 0.57 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.36 1qha h LYS 820 CO -0.36 -0.06 0.05 1.15 -2.27 0.00 0.00 179.45 177.97 1qha h THR 821 N -0.35 0.63 0.15 1.00 2.02 -1.11 -0.13 112.91 115.12 1qha h THR 821 Ca -0.02 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.11 1qha h THR 821 Cb 0.27 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1qha h THR 821 CO 0.04 0.03 -0.27 0.58 0.37 0.00 0.00 175.52 176.28 1qha h VAL 822 N 0.18 0.42 -0.98 3.16 2.07 -1.08 -0.30 116.25 119.71 1qha h VAL 822 Ca 0.27 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.98 1qha h VAL 822 Cb 0.41 0.42 -0.09 0.00 -1.52 0.00 0.00 31.29 30.50 1qha h VAL 822 CO -0.40 0.00 0.61 0.00 0.02 0.00 0.00 177.57 177.80 1qha h GLY 824 N 0.69 0.86 0.99 0.00 0.00 -0.06 -1.55 103.07 103.99 1qha h GLY 824 Ca 0.54 -0.98 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 1qha h GLY 824 CO -0.31 0.88 0.29 -2.08 0.00 0.00 0.00 176.54 175.32 1qha h VAL 825 N 0.61 1.20 -0.17 4.60 2.07 0.69 -2.22 116.25 123.04 1qha h VAL 825 Ca 0.02 -0.55 -0.20 0.00 0.82 0.00 0.00 66.70 66.79 1qha h VAL 825 Cb 1.12 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1qha h VAL 825 CO 0.11 0.23 -0.69 0.58 0.02 0.00 0.00 177.57 177.82 1qha h VAL 826 N 0.78 1.31 -0.00 2.57 2.07 -1.31 -2.35 116.25 119.31 1qha h VAL 826 Ca 0.20 -1.94 -0.19 0.00 0.82 0.00 0.00 66.70 65.59 1qha h VAL 826 Cb 0.10 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1qha h VAL 826 CO -0.03 0.61 -0.84 0.77 0.02 0.00 0.00 177.57 178.11 1qha h SER 827 N 0.49 0.21 -0.35 0.57 4.64 -1.32 -0.69 113.55 117.10 1qha h SER 827 Ca -0.03 -0.17 -0.14 0.00 -0.47 0.00 0.00 61.79 60.99 1qha h SER 827 Cb 1.29 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1qha h SER 827 CO 0.14 0.95 -0.33 -0.09 -0.87 0.00 0.00 176.83 176.63 1qha h ARG 828 N 0.10 0.85 -0.46 4.77 2.43 -1.41 -1.63 114.38 119.03 1qha h ARG 828 Ca -0.03 -0.44 -0.11 0.00 -0.81 0.00 0.00 59.98 58.59 1qha h ARG 828 Cb 1.45 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.00 1qha h ARG 828 CO 0.12 1.08 -0.13 -0.09 -1.51 0.00 0.00 179.97 179.44 1qha h ARG 829 N 0.64 0.90 -0.99 0.20 2.43 -1.16 -1.74 114.38 114.66 1qha h ARG 829 Ca 0.06 -0.36 0.04 0.00 -0.81 0.00 0.00 59.98 58.91 1qha h ARG 829 Cb 0.91 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.36 1qha h ARG 829 CO 0.08 1.01 0.65 0.00 -1.51 0.00 0.00 179.97 180.20 1qha h ALA 830 N 0.87 1.32 -0.00 2.80 0.00 -0.57 -0.57 119.26 123.11 1qha h ALA 830 Ca 0.11 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1qha h ALA 830 Cb 0.69 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1qha h ALA 830 CO 0.05 0.53 -0.62 0.00 0.00 0.00 0.00 179.25 179.21 1qha h ALA 831 N 1.41 0.97 -0.13 0.00 0.00 -0.92 -0.39 119.26 120.19 1qha h ALA 831 Ca 0.40 -0.56 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 1qha h ALA 831 Cb 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1qha h ALA 831 CO -0.13 0.77 -0.82 1.96 0.00 0.00 0.00 179.25 181.03 1qha h GLN 832 N 0.01 0.79 -0.55 0.00 4.20 -0.51 -0.70 115.11 118.35 1qha h GLN 832 Ca -0.01 -0.67 -0.10 0.00 0.06 0.00 0.00 58.65 57.93 1qha h GLN 832 Cb 1.10 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 29.00 1qha h GLN 832 CO 0.08 1.27 -0.07 -0.07 -0.67 0.00 0.00 178.83 179.38 1qha h LEU 833 N 0.53 0.99 -0.78 1.46 3.38 -0.92 -1.32 115.31 118.65 1qha h LEU 833 Ca -0.06 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.51 1qha h LEU 833 Cb 1.45 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1qha h LEU 833 CO 0.17 1.08 -0.10 0.00 0.09 0.00 0.00 178.44 179.67 1qha h GLY 835 N 0.97 0.34 1.68 0.00 0.00 -0.77 -2.03 103.07 103.26 1qha h GLY 835 Ca 0.12 -0.23 -0.19 0.00 0.00 0.00 0.00 47.33 47.04 1qha h GLY 835 CO 0.04 0.21 -0.78 0.00 0.00 0.00 0.00 176.54 176.01 1qha h ALA 836 N 1.54 0.59 -0.07 3.60 0.00 -1.08 0.65 119.26 124.49 1qha h ALA 836 Ca 0.05 -0.65 -0.21 0.00 0.00 0.00 0.00 54.91 54.11 1qha h ALA 836 Cb 0.46 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1qha h ALA 836 CO 0.03 0.81 -0.76 0.78 0.00 0.00 0.00 179.25 180.11 1qha h GLY 837 N 1.50 0.72 1.07 0.00 0.00 -1.39 -1.72 103.07 103.24 1qha h GLY 837 Ca -0.04 -1.11 -0.08 0.00 0.00 0.00 0.00 47.33 46.10 1qha h GLY 837 CO 0.13 0.99 0.11 1.98 0.00 0.00 0.00 176.54 179.74 1qha h MET 838 N 0.30 1.11 -0.56 4.80 -1.53 -1.36 -1.78 114.93 115.91 1qha h MET 838 Ca -0.07 -0.30 0.11 0.00 -3.44 0.00 0.00 59.70 56.00 1qha h MET 838 Cb 1.41 -0.13 -0.11 0.00 -0.55 0.00 0.00 31.60 32.23 1qha h MET 838 CO 0.15 1.02 -0.15 0.00 0.14 0.00 0.00 176.91 178.07 1qha h ALA 839 N 1.05 0.36 0.26 0.39 0.00 -0.41 -1.46 119.26 119.45 1qha h ALA 839 Ca 0.20 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1qha h ALA 839 Cb 0.44 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1qha h ALA 839 CO 0.01 -0.44 -0.26 0.00 0.00 0.00 0.00 179.25 178.56 1qha h ALA 840 N 1.54 -0.55 -0.05 0.00 0.00 -0.64 -2.33 119.26 117.24 1qha h ALA 840 Ca 0.27 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1qha h ALA 840 Cb 0.41 0.38 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 1qha h ALA 840 CO -0.58 -0.84 -0.36 0.28 0.00 0.00 0.00 179.25 177.76 1qha h VAL 841 N -0.56 0.24 -0.35 0.00 2.07 -0.99 -1.15 116.25 115.51 1qha h VAL 841 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1qha h VAL 841 Cb 0.51 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1qha h VAL 841 CO -0.06 0.00 0.03 -0.37 0.02 0.00 0.00 177.57 177.19 1qha h VAL 842 N -0.48 1.19 -0.69 2.57 -1.51 -1.24 -1.74 116.25 114.35 1qha h VAL 842 Ca 0.07 -0.73 -0.07 0.00 -1.23 0.00 0.00 66.70 64.74 1qha h VAL 842 Cb 0.59 0.90 -0.03 0.00 -2.13 0.00 0.00 31.29 30.62 1qha h VAL 842 CO -0.32 0.26 0.16 0.44 -1.23 0.00 0.00 177.57 176.87 1qha h ASP 843 N 0.52 1.04 -0.10 4.19 5.19 -1.15 -0.82 116.42 125.29 1qha h ASP 843 Ca 0.11 -0.22 -0.09 0.00 -0.62 0.00 0.00 57.03 56.21 1qha h ASP 843 Cb 0.29 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1qha h ASP 843 CO 0.01 1.01 -0.21 0.50 -3.12 0.00 0.00 179.24 177.43 1qha h LYS 844 N 1.04 0.50 0.02 3.56 3.64 -0.63 -2.29 116.57 122.41 1qha h LYS 844 Ca 0.22 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1qha h LYS 844 Cb 0.38 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1qha h LYS 844 CO 0.00 0.68 -0.01 -0.84 -2.27 0.00 0.00 179.45 177.02 1qha h ILE 845 N 0.45 1.41 -0.32 2.00 3.07 -0.78 -2.09 117.51 121.25 1qha h ILE 845 Ca 0.07 -1.41 0.05 0.00 1.55 0.00 0.00 64.86 65.12 1qha h ILE 845 Cb 0.61 2.34 -0.08 0.00 -0.27 0.00 0.00 36.82 39.43 1qha h ILE 845 CO 0.04 0.36 -0.52 -0.09 -1.05 0.00 0.00 178.15 176.89 1qha h ARG 846 N -0.65 -0.43 0.00 0.16 2.43 -1.18 -2.55 114.38 112.16 1qha h ARG 846 Ca -0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1qha h ARG 846 Cb 0.61 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1qha h ARG 846 CO 0.01 -0.28 0.00 1.05 -1.51 0.00 0.00 179.97 179.23 1qha h GLU 847 N -0.44 0.00 0.04 0.20 4.11 -1.50 -1.59 114.58 115.40 1qha h GLU 847 Ca 0.08 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.28 1qha h GLU 847 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1qha h GLU 847 CO -0.54 0.00 -1.03 -0.91 0.07 0.00 0.00 179.01 176.60 1qha h ASN 848 N 0.00 0.22 0.35 3.06 -0.26 -0.97 -2.99 115.58 114.98 1qha h ASN 848 Ca 0.00 -0.21 0.00 0.00 -0.56 0.00 0.00 56.30 55.53 1qha h ASN 848 Cb 0.58 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.78 1qha h ASN 848 CO 0.00 1.11 0.00 0.54 -1.06 0.00 0.00 177.43 178.02 1qha n ARG 849 N -3.51 0.59 -1.00 0.81 1.74 -0.62 -4.88 116.66 109.79 1qha n ARG 849 Ca -0.04 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1qha n ARG 849 Cb 0.92 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 1qha n ARG 849 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qha n GLY 850 N 1.04 0.94 3.78 -0.13 0.00 -1.12 -5.00 105.19 104.70 1qha n GLY 850 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1qha n GLY 850 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qha s LEU 851 N 0.00 3.45 -0.25 0.99 1.43 -1.07 -4.99 118.68 118.24 1qha s LEU 851 Ca 0.00 1.98 0.05 0.00 -1.03 0.00 0.00 54.13 55.13 1qha s LEU 851 Cb 0.00 -4.55 -0.18 0.00 0.03 0.00 0.00 46.19 41.49 1qha s LEU 851 CO 0.00 -1.49 -0.18 0.47 0.23 0.00 0.00 176.35 175.38 1qha n ASP 852 N -2.22 1.67 -3.80 2.29 8.00 -1.26 -4.42 116.55 116.81 1qha n ASP 852 Ca 0.10 -0.12 -0.28 0.00 0.71 0.00 0.00 54.79 55.21 1qha n ASP 852 Cb 0.52 -0.17 -0.16 0.00 -0.02 0.00 0.00 41.12 41.29 1qha n ASP 852 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1qha s ARG 853 N -2.51 0.95 -0.23 -1.24 3.52 -1.26 -4.84 118.95 113.34 1qha s ARG 853 Ca -0.31 -0.46 -0.10 0.00 -0.13 0.00 0.00 55.73 54.73 1qha s ARG 853 Cb 0.08 -2.03 -0.05 0.00 -1.56 0.00 0.00 34.95 31.40 1qha s ARG 853 CO 0.63 -0.55 0.14 -1.17 -0.81 0.00 0.00 175.30 173.54 1qha s LEU 854 N 1.76 4.08 -0.22 -0.88 2.96 -0.82 -5.02 118.68 120.54 1qha s LEU 854 Ca -0.01 0.11 -0.11 0.00 -0.22 0.00 0.00 54.13 53.91 1qha s LEU 854 Cb -0.16 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 1qha s LEU 854 CO -0.07 0.09 0.18 0.20 -1.32 0.00 0.00 176.35 175.43 1qha s ASN 855 N 0.92 6.20 0.01 3.68 0.02 -1.26 0.05 114.94 124.56 1qha s ASN 855 Ca 0.07 0.22 -0.03 0.00 -1.02 0.00 0.00 52.86 52.10 1qha s ASN 855 Cb -0.13 -2.12 -0.01 0.00 0.02 0.00 0.00 41.25 39.01 1qha s ASN 855 CO 0.03 0.09 0.04 0.54 0.02 0.00 0.00 177.10 177.82 1qha s VAL 856 N 0.82 0.08 -0.12 1.60 0.11 -0.34 -4.93 120.40 117.63 1qha s VAL 856 Ca 0.09 -0.68 -0.03 0.00 -2.93 0.00 0.00 61.98 58.43 1qha s VAL 856 Cb -0.13 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.40 1qha s VAL 856 CO 0.03 -0.38 -0.01 -0.89 -3.33 0.00 0.00 175.10 170.52 1qha s THR 857 N -1.18 4.16 -0.22 5.04 2.01 -0.51 -1.13 115.64 123.80 1qha s THR 857 Ca -0.13 -0.28 -0.06 0.00 0.31 0.00 0.00 61.69 61.53 1qha s THR 857 Cb -0.08 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 1qha s THR 857 CO 0.00 0.54 0.04 -0.69 -0.69 0.00 0.00 174.62 173.82 1qha s VAL 858 N -0.23 4.18 -0.05 3.82 1.01 0.23 -3.05 120.40 126.31 1qha s VAL 858 Ca 0.05 -0.23 -0.20 0.00 0.00 0.00 0.00 61.98 61.61 1qha s VAL 858 Cb -0.13 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 1qha s VAL 858 CO 0.02 0.39 0.56 -0.83 0.00 0.00 0.00 175.10 175.24 1qha s GLY 859 N 1.26 2.54 0.12 4.51 0.00 -0.34 0.19 107.32 115.60 1qha s GLY 859 Ca 0.04 -0.04 0.04 0.00 0.00 0.00 0.00 44.72 44.76 1qha s GLY 859 CO 0.02 0.77 -0.10 0.14 0.00 0.00 0.00 173.10 173.94 1qha s VAL 860 N 0.13 1.02 0.38 1.40 1.01 -0.87 -1.64 120.40 121.83 1qha s VAL 860 Ca 0.30 -1.85 -0.10 0.00 0.00 0.00 0.00 61.98 60.33 1qha s VAL 860 Cb -0.17 -1.60 0.04 0.00 0.00 0.00 0.00 36.38 34.65 1qha s VAL 860 CO 0.15 -0.67 0.69 -0.67 0.00 0.00 0.00 175.10 174.60 1qha n ASP 861 N 0.19 -1.98 0.00 3.32 -0.08 -0.92 -0.81 116.55 116.27 1qha n ASP 861 Ca -0.13 -2.73 0.00 0.00 -1.51 0.00 0.00 54.79 50.42 1qha n ASP 861 Cb 0.59 3.40 0.00 0.00 2.34 0.00 0.00 41.12 47.45 1qha n ASP 861 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qha n GLY 862 N -0.56 3.32 0.23 0.27 0.00 -1.26 -1.74 105.19 105.45 1qha n GLY 862 Ca -0.05 -1.62 -0.08 0.00 0.00 0.00 0.00 46.02 44.26 1qha n GLY 862 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1qha h THR 863 N 0.00 1.30 0.67 2.61 1.35 -1.88 -0.94 112.91 116.02 1qha h THR 863 Ca 0.00 -1.60 -0.03 0.00 -0.55 0.00 0.00 66.41 64.23 1qha h THR 863 Cb 0.00 1.56 0.01 0.00 -1.73 0.00 0.00 68.15 67.98 1qha h THR 863 CO 0.00 0.51 -0.32 0.25 -0.25 0.00 0.00 175.52 175.71 1qha h LEU 864 N 0.51 -0.76 -0.55 3.87 5.85 -1.80 0.38 115.31 122.80 1qha h LEU 864 Ca 0.04 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.88 1qha h LEU 864 Cb 0.94 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 42.09 1qha h LEU 864 CO 0.08 -0.53 0.10 0.22 -0.34 0.00 0.00 178.44 177.98 1qha h TYR 865 N -0.92 0.16 -0.26 1.25 5.03 -1.53 0.46 116.97 121.15 1qha h TYR 865 Ca -0.09 0.03 -0.11 0.00 2.58 0.00 0.00 58.73 61.14 1qha h TYR 865 Cb 0.70 0.01 -0.00 0.00 1.55 0.00 0.00 36.73 38.98 1qha h TYR 865 CO -0.02 -0.03 -0.28 0.87 -1.32 0.00 0.00 178.16 177.38 1qha h LYS 866 N 0.24 0.65 0.00 1.82 1.79 -0.81 -3.36 116.57 116.90 1qha h LYS 866 Ca 0.28 -0.35 -0.06 0.00 -2.18 0.00 0.00 60.65 58.34 1qha h LYS 866 Cb 0.41 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 1qha h LYS 866 CO -0.38 0.96 -1.26 1.28 -1.08 0.00 0.00 179.45 178.97 1qha n LEU 867 N -4.30 0.76 -4.74 2.94 4.77 0.13 -4.94 117.00 111.62 1qha n LEU 867 Ca -0.04 0.31 -0.41 0.00 -0.03 0.00 0.00 56.01 55.84 1qha n LEU 867 Cb 0.46 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 1qha n LEU 867 CO 0.44 -0.05 0.84 -2.28 -1.33 0.00 0.00 177.39 175.02 1qha s HIS 868 N -3.22 3.49 -0.06 -1.77 2.46 0.16 -4.78 115.29 111.57 1qha s HIS 868 Ca -0.02 1.52 0.28 0.00 0.47 0.00 0.00 55.06 57.31 1qha s HIS 868 Cb 0.10 -3.37 0.91 0.00 -0.13 0.00 0.00 32.58 30.09 1qha s HIS 868 CO 0.81 -0.94 1.82 -1.00 -2.47 0.00 0.00 174.74 172.96 1qha h PRO 869 N 4.87 0.00 0.00 2.88 0.13 -1.89 -3.39 132.00 134.59 1qha h PRO 869 Ca -0.45 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 1qha h PRO 869 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1qha h PRO 869 CO 0.72 0.08 -1.46 0.72 -0.23 0.00 0.00 178.00 177.83 1qha n HIS 870 N -3.16 0.00 -0.20 1.56 8.25 -1.26 -4.87 115.22 115.54 1qha n HIS 870 Ca 0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.36 1qha n HIS 870 Cb 0.42 -0.32 -0.08 0.00 1.12 0.00 0.00 29.99 31.13 1qha n HIS 870 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1qha h PHE 871 N 0.00 -1.62 -0.81 4.41 3.04 -1.90 -2.10 116.94 117.96 1qha h PHE 871 Ca -0.18 0.09 -0.03 0.00 3.98 0.00 0.00 57.97 61.83 1qha h PHE 871 Cb 1.37 0.78 -0.04 0.00 2.56 0.00 0.00 35.95 40.62 1qha h PHE 871 CO 0.00 -0.46 0.40 0.66 -2.02 0.00 0.00 178.31 176.90 1qha h SER 872 N -0.30 1.05 -0.52 0.41 4.64 -1.83 -1.09 113.55 115.91 1qha h SER 872 Ca 0.11 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1qha h SER 872 Cb 0.56 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1qha h SER 872 CO -0.67 0.87 0.23 -0.09 -0.87 0.00 0.00 176.83 176.30 1qha h ARG 873 N 1.15 0.77 -0.35 4.77 2.43 -1.85 -1.03 114.38 120.29 1qha h ARG 873 Ca 0.28 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 59.21 1qha h ARG 873 Cb 0.09 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 1qha h ARG 873 CO -0.04 0.66 -0.23 0.82 -1.51 0.00 0.00 179.97 179.68 1qha h ILE 874 N 0.70 1.29 0.21 1.20 2.04 -0.99 -0.73 117.51 121.24 1qha h ILE 874 Ca 0.18 -1.37 -0.00 0.00 1.00 0.00 0.00 64.86 64.67 1qha h ILE 874 Cb 0.16 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1qha h ILE 874 CO -0.02 0.45 -0.15 -0.03 0.00 0.00 0.00 178.15 178.40 1qha h MET 875 N 0.55 -0.34 -0.81 2.37 4.05 -1.20 0.88 114.93 120.42 1qha h MET 875 Ca 0.07 0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.53 1qha h MET 875 Cb 0.78 0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.62 1qha h MET 875 CO 0.06 -0.23 0.53 0.45 0.23 0.00 0.00 176.91 177.95 1qha h HIS 876 N -0.36 0.99 -0.97 1.39 3.86 -1.07 -0.63 115.15 118.36 1qha h HIS 876 Ca -0.02 0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.26 1qha h HIS 876 Cb 0.31 -0.33 -0.06 0.00 1.06 0.00 0.00 27.41 28.39 1qha h HIS 876 CO -0.10 0.60 0.64 0.37 0.86 0.00 0.00 177.93 180.30 1qha h GLN 877 N 1.05 1.19 -0.48 2.45 4.15 -0.74 -1.38 115.11 121.35 1qha h GLN 877 Ca 0.31 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.58 1qha h GLN 877 Cb -0.07 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 27.33 1qha h GLN 877 CO -0.08 0.79 0.01 1.15 -1.93 0.00 0.00 178.83 178.76 1qha h THR 878 N 1.23 1.26 -0.60 2.39 2.02 0.68 -2.15 112.91 117.74 1qha h THR 878 Ca 0.39 -1.05 0.01 0.00 0.77 0.00 0.00 66.41 66.53 1qha h THR 878 Cb 0.01 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 1qha h THR 878 CO -0.13 0.37 0.39 0.58 0.37 0.00 0.00 175.52 177.10 1qha h VAL 879 N 0.70 1.14 -0.37 3.16 2.07 -1.14 -1.13 116.25 120.69 1qha h VAL 879 Ca 0.14 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 1qha h VAL 879 Cb 0.50 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1qha h VAL 879 CO 0.02 0.15 0.01 0.50 0.02 0.00 0.00 177.57 178.26 1qha h LYS 880 N 0.80 0.57 0.14 1.57 3.64 -1.08 -0.06 116.57 122.15 1qha h LYS 880 Ca 0.22 -0.12 -0.29 0.00 -1.27 0.00 0.00 60.65 59.19 1qha h LYS 880 Cb -0.08 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1qha h LYS 880 CO -0.05 0.59 -1.33 1.05 -2.27 0.00 0.00 179.45 177.44 1qha h GLU 881 N 0.55 0.29 0.00 1.90 4.11 -0.58 -3.22 114.58 117.63 1qha h GLU 881 Ca 0.12 -0.50 -0.26 0.00 0.07 0.00 0.00 59.36 58.79 1qha h GLU 881 Cb 0.34 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 1qha h GLU 881 CO 0.01 1.22 -1.63 1.28 0.07 0.00 0.00 179.01 179.96 1qha n LEU 882 N -3.53 0.88 -3.14 3.06 4.77 -0.57 -4.26 117.00 114.20 1qha n LEU 882 Ca -0.11 0.41 -0.27 0.00 -0.03 0.00 0.00 56.01 56.01 1qha n LEU 882 Cb 1.04 0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 42.21 1qha n LEU 882 CO 0.54 0.33 0.12 -1.20 -1.33 0.00 0.00 177.39 175.85 1qha n SER 883 N -3.01 4.18 0.00 -1.43 7.64 -0.04 -4.92 113.62 116.04 1qha n SER 883 Ca -0.15 -3.59 0.00 0.00 1.01 0.00 0.00 58.87 56.14 1qha n SER 883 Cb 1.00 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 1qha n SER 883 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1qha n PRO 884 N 0.21 0.00 0.00 1.43 -0.04 -1.21 -1.24 135.00 134.15 1qha n PRO 884 Ca 0.31 0.22 0.09 0.00 -0.04 0.00 0.00 63.50 64.08 1qha n PRO 884 Cb 0.40 -1.53 -0.03 0.00 -0.04 0.00 0.00 33.50 32.29 1qha n PRO 884 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1qha n LYS 885 N -1.19 1.40 -3.76 0.54 5.02 -1.26 -4.86 118.16 114.05 1qha n LYS 885 Ca 0.00 -0.61 -0.36 0.00 -2.02 0.00 0.00 58.31 55.32 1qha n LYS 885 Cb 0.03 -1.35 -0.07 0.00 -0.02 0.00 0.00 35.03 33.62 1qha n LYS 885 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qha s ASN 887 N -0.12 5.83 -0.17 0.00 3.04 0.11 -4.93 114.94 118.70 1qha s ASN 887 Ca 0.11 -1.63 -0.10 0.00 0.04 0.00 0.00 52.86 51.28 1qha s ASN 887 Cb -0.12 -2.06 -0.05 0.00 -1.54 0.00 0.00 41.25 37.48 1qha s ASN 887 CO 0.01 -0.65 0.16 -0.69 -3.04 0.00 0.00 177.10 172.88 1qha s VAL 888 N 1.47 5.41 -0.06 -5.21 1.01 -1.26 -1.19 120.40 120.57 1qha s VAL 888 Ca 0.04 0.26 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 1qha s VAL 888 Cb -0.25 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1qha s VAL 888 CO 0.02 0.48 -0.00 -0.44 0.00 0.00 0.00 175.10 175.16 1qha s SER 889 N 0.01 5.18 -0.18 3.32 0.01 -0.29 -4.97 113.70 116.79 1qha s SER 889 Ca 0.11 0.10 -0.03 0.00 1.31 0.00 0.00 55.95 57.44 1qha s SER 889 Cb -0.12 -1.42 -0.01 0.00 0.21 0.00 0.00 66.02 64.68 1qha s SER 889 CO 0.01 0.35 -0.07 -0.36 0.41 0.00 0.00 173.24 173.57 1qha s PHE 890 N -0.94 2.92 -0.23 2.43 0.40 -1.26 0.75 117.98 122.05 1qha s PHE 890 Ca 0.15 -0.80 -0.01 0.00 -0.60 0.00 0.00 56.93 55.67 1qha s PHE 890 Cb -0.11 -2.00 0.02 0.00 0.51 0.00 0.00 43.02 41.44 1qha s PHE 890 CO 0.05 -0.40 -0.09 -1.17 0.70 0.00 0.00 175.22 174.30 1qha s LEU 891 N 1.00 2.92 0.02 -0.37 2.96 0.13 -4.93 118.68 120.41 1qha s LEU 891 Ca -0.00 -0.80 -0.30 0.00 -0.22 0.00 0.00 54.13 52.81 1qha s LEU 891 Cb -0.15 -1.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.87 1qha s LEU 891 CO -0.00 -0.09 1.21 -0.22 -1.32 0.00 0.00 176.35 175.92 1qha s LEU 892 N 1.32 4.34 -0.22 -0.68 2.96 -1.26 -2.04 118.68 123.09 1qha s LEU 892 Ca 0.01 1.94 -0.20 0.00 -0.22 0.00 0.00 54.13 55.67 1qha s LEU 892 Cb -0.16 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 1qha s LEU 892 CO -0.06 -0.52 0.61 -0.94 -1.32 0.00 0.00 176.35 174.12 1qha s SER 893 N 1.26 6.63 0.13 3.68 1.04 0.01 -4.89 113.70 121.56 1qha s SER 893 Ca 0.58 0.76 0.22 0.00 0.48 0.00 0.00 55.95 58.00 1qha s SER 893 Cb -0.28 -2.33 -0.08 0.00 0.10 0.00 0.00 66.02 63.43 1qha s SER 893 CO 0.27 -0.28 0.90 -0.62 0.98 0.00 0.00 173.24 174.48 1qha n GLU 894 N 5.20 0.60 -0.29 4.02 1.02 -1.26 -4.24 120.64 125.69 1qha n GLU 894 Ca -0.02 0.03 0.10 0.00 -0.02 0.00 0.00 57.16 57.25 1qha n GLU 894 Cb 0.50 -1.74 0.26 0.00 -0.02 0.00 0.00 31.44 30.44 1qha n GLU 894 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1qha n ASP 895 N -2.53 3.11 -0.11 1.62 8.00 -1.26 -5.07 116.55 120.31 1qha n ASP 895 Ca -0.01 -1.99 0.01 0.00 0.71 0.00 0.00 54.79 53.51 1qha n ASP 895 Cb 0.55 -0.38 -0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1qha n ASP 895 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qha n GLY 896 N 1.43 -2.22 0.20 0.44 0.00 -1.26 -4.27 105.19 99.50 1qha n GLY 896 Ca 0.19 -1.50 0.13 0.00 0.00 0.00 0.00 46.02 44.85 1qha n GLY 896 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qha n SER 897 N -1.04 0.61 0.00 1.61 7.64 -1.26 -4.66 113.62 116.52 1qha n SER 897 Ca 0.00 -1.31 -0.18 0.00 1.01 0.00 0.00 58.87 58.39 1qha n SER 897 Cb 0.05 -0.01 -0.10 0.00 -1.01 0.00 0.00 64.21 63.13 1qha n SER 897 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1qha h GLY 898 N 5.05 0.59 0.05 0.23 0.00 -1.90 -2.40 103.07 104.69 1qha h GLY 898 Ca 0.00 -0.97 0.14 0.00 0.00 0.00 0.00 47.33 46.50 1qha h GLY 898 CO 0.00 0.86 0.15 1.70 0.00 0.00 0.00 176.54 179.25 1qha h LYS 899 N 0.11 0.26 -0.00 4.80 3.64 -1.86 0.16 116.57 123.68 1qha h LYS 899 Ca -0.08 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1qha h LYS 899 Cb 1.37 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1qha h LYS 899 CO 0.14 0.17 -0.00 0.78 -2.27 0.00 0.00 179.45 178.27 1qha h GLY 900 N 0.26 0.00 1.04 5.01 0.00 -1.73 0.22 103.07 107.88 1qha h GLY 900 Ca 0.37 -0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.72 1qha h GLY 900 CO -0.46 0.00 0.60 0.00 0.00 0.00 0.00 176.54 176.68 1qha h ALA 901 N 0.62 1.40 -0.38 3.60 0.00 -1.15 -1.26 119.26 122.09 1qha h ALA 901 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1qha h ALA 901 Cb 0.38 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1qha h ALA 901 CO 0.00 0.53 0.18 0.00 0.00 0.00 0.00 179.25 179.96 1qha h ALA 902 N 1.46 0.46 -0.64 0.00 0.00 -0.19 1.03 119.26 121.37 1qha h ALA 902 Ca 0.35 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 1qha h ALA 902 Cb -0.05 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1qha h ALA 902 CO -0.09 -0.20 0.40 -0.07 0.00 0.00 0.00 179.25 179.29 1qha h LEU 903 N 0.36 0.76 0.07 0.00 3.38 -0.06 -0.54 115.31 119.28 1qha h LEU 903 Ca 0.16 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 1qha h LEU 903 Cb 0.08 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 40.66 1qha h LEU 903 CO -0.12 0.57 -0.68 0.40 0.09 0.00 0.00 178.44 178.70 1qha h ILE 904 N 0.88 1.48 -0.89 1.22 2.04 -0.91 -3.10 117.51 118.23 1qha h ILE 904 Ca 0.23 -2.30 0.11 0.00 1.00 0.00 0.00 64.86 63.91 1qha h ILE 904 Cb -0.05 2.92 -0.07 0.00 -0.74 0.00 0.00 36.82 38.88 1qha h ILE 904 CO -0.05 0.66 0.58 0.74 0.00 0.00 0.00 178.15 180.08 1qha h THR 905 N -0.27 0.92 0.00 -0.27 2.02 0.17 0.33 112.91 115.80 1qha h THR 905 Ca -0.10 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 1qha h THR 905 Cb 1.45 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1qha h THR 905 CO 0.13 0.15 -0.01 0.00 0.37 0.00 0.00 175.52 176.16 1qha h ALA 906 N 1.57 1.73 -0.01 6.16 0.00 -1.04 -2.88 119.26 124.80 1qha h ALA 906 Ca 0.43 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.10 1qha h ALA 906 Cb 0.53 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.33 1qha h ALA 906 CO -0.19 0.01 -0.88 0.28 0.00 0.00 0.00 179.25 178.47 1qha h VAL 907 N 0.00 1.33 0.00 0.00 2.07 -0.34 -3.14 116.25 116.16 1qha h VAL 907 Ca -0.00 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.35 1qha h VAL 907 Cb 0.02 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1qha h VAL 907 CO 0.00 0.66 0.00 0.61 0.02 0.00 0.00 177.57 178.86 1qha n GLY 908 N 1.06 -2.08 0.10 2.17 0.00 -1.07 -1.76 105.19 103.61 1qha n GLY 908 Ca -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1qha n GLY 908 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qha n VAL 909 N 0.00 0.00 -0.30 1.61 0.31 -1.21 -0.09 118.33 118.65 1qha n VAL 909 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 1qha n VAL 909 Cb 0.00 0.00 0.30 0.00 -0.91 0.00 0.00 33.84 33.23 1qha n VAL 909 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1qha h ARG 910 N 0.00 0.33 0.00 5.55 2.43 -1.47 0.60 114.38 121.82 1qha h ARG 910 Ca 0.00 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 58.98 1qha h ARG 910 Cb 0.00 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 1qha h ARG 910 CO 0.00 0.22 -1.30 -0.07 -1.51 0.00 0.00 179.97 177.31 1qha h LEU 911 N 0.34 0.00 0.00 3.80 3.38 0.35 0.10 115.31 123.29 1qha h LEU 911 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.53 1qha h LEU 911 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1qha h LEU 911 CO -0.56 0.63 0.00 -1.14 0.09 0.00 0.00 178.44 177.46 1qha n ARG 912 N -2.97 0.00 -0.00 1.13 0.00 -0.76 -1.62 116.66 112.43 1qha n ARG 912 Ca -0.08 0.09 0.10 0.00 -0.00 0.00 0.00 57.85 57.96 1qha n ARG 912 Cb 0.85 -1.50 -0.13 0.00 0.00 0.00 0.00 32.46 31.68 1qha n ARG 912 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1qha n THR 913 N -1.50 0.00 -0.01 5.15 -1.04 0.20 -5.00 114.28 112.09 1qha n THR 913 Ca 0.06 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1qha n THR 913 Cb 0.28 0.57 0.00 0.00 -1.82 0.00 0.00 70.33 69.36 1qha n THR 913 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81