#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qf0 s THR 43 N 0.00 3.69 0.08 2.62 -1.32 -1.26 -5.08 115.64 114.38 2qf0 s THR 43 Ca 0.00 -0.72 -0.30 0.00 -1.21 0.00 0.00 61.69 59.45 2qf0 s THR 43 Cb 0.00 -2.87 -0.10 0.00 -1.51 0.00 0.00 72.50 68.02 2qf0 s THR 43 CO 0.00 0.15 1.91 -2.84 -2.21 0.00 0.00 174.62 171.63 2qf0 s PRO 44 N 1.46 4.14 0.05 7.08 0.02 -1.26 -4.89 135.00 141.60 2qf0 s PRO 44 Ca 0.02 2.61 -0.36 0.00 0.02 0.00 0.00 61.00 63.29 2qf0 s PRO 44 Cb -0.17 -3.91 -0.16 0.00 0.02 0.00 0.00 34.50 30.28 2qf0 s PRO 44 CO 0.01 -0.91 1.46 0.00 -0.33 0.00 0.00 177.00 177.23 2qf0 n ALA 45 N 6.72 -0.32 -2.89 -1.55 0.00 -1.26 -4.95 120.51 116.26 2qf0 n ALA 45 Ca 0.19 0.48 -0.10 0.00 0.00 0.00 0.00 53.44 54.01 2qf0 n ALA 45 Cb 0.40 -2.17 -0.05 0.00 0.00 0.00 0.00 19.45 17.63 2qf0 n ALA 45 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qf0 s SER 46 N 1.11 -0.15 -0.17 0.00 0.15 -1.26 -5.01 113.70 108.38 2qf0 s SER 46 Ca 0.85 -0.39 0.16 0.00 0.70 0.00 0.00 55.95 57.27 2qf0 s SER 46 Cb -0.90 0.44 0.37 0.00 -1.71 0.00 0.00 66.02 64.22 2qf0 s SER 46 CO 0.48 -0.82 1.23 -1.22 1.20 0.00 0.00 173.24 174.10 2qf0 n TYR 47 N -0.17 0.21 -0.04 3.44 4.02 -1.26 -4.74 117.16 118.63 2qf0 n TYR 47 Ca -0.16 -1.13 -0.02 0.00 -0.01 0.00 0.00 57.90 56.58 2qf0 n TYR 47 Cb 0.63 -0.22 0.24 0.00 -0.02 0.00 0.00 39.34 39.97 2qf0 n TYR 47 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 176.86 174.88 2qf0 h ASN 48 N 0.54 0.58 -0.47 7.72 -0.73 -1.95 -2.49 115.58 118.79 2qf0 h ASN 48 Ca 0.02 -0.13 0.07 0.00 1.87 0.00 0.00 56.30 58.13 2qf0 h ASN 48 Cb 1.11 -0.15 -0.06 0.00 0.27 0.00 0.00 38.32 39.49 2qf0 h ASN 48 CO 0.06 0.67 0.11 0.25 -0.37 0.00 0.00 177.43 178.15 2qf0 h LEU 49 N 0.58 0.04 -0.81 0.34 5.85 -1.90 0.71 115.31 120.13 2qf0 h LEU 49 Ca 0.12 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 2qf0 h LEU 49 Cb 0.40 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 2qf0 h LEU 49 CO 0.02 0.05 0.38 0.00 -0.34 0.00 0.00 178.44 178.55 2qf0 h ALA 50 N 1.35 1.04 -0.69 1.25 0.00 -1.61 -2.10 119.26 118.51 2qf0 h ALA 50 Ca 0.23 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2qf0 h ALA 50 Cb 0.29 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2qf0 h ALA 50 CO -0.29 0.62 0.22 0.28 0.00 0.00 0.00 179.25 180.08 2qf0 h VAL 51 N 1.15 1.26 -0.13 0.00 2.07 -0.82 -0.83 116.25 118.94 2qf0 h VAL 51 Ca 0.28 -0.88 -0.08 0.00 0.82 0.00 0.00 66.70 66.83 2qf0 h VAL 51 Cb 0.13 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2qf0 h VAL 51 CO -0.03 0.34 -0.29 0.03 0.02 0.00 0.00 177.57 177.64 2qf0 h ARG 52 N 1.02 0.25 0.05 1.57 3.08 -0.62 0.18 114.38 119.92 2qf0 h ARG 52 Ca 0.22 -0.09 -0.24 0.00 0.07 0.00 0.00 59.98 59.94 2qf0 h ARG 52 Cb 0.30 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 2qf0 h ARG 52 CO -0.01 0.53 -1.15 0.00 -1.07 0.00 0.00 179.97 178.27 2qf0 h ARG 53 N 0.22 0.11 0.00 0.04 3.08 -1.09 -3.42 114.38 113.32 2qf0 h ARG 53 Ca 0.03 -0.18 -0.17 0.00 0.07 0.00 0.00 59.98 59.73 2qf0 h ARG 53 Cb 0.64 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 2qf0 h ARG 53 CO 0.05 1.06 -1.63 0.00 -1.07 0.00 0.00 179.97 178.37 2qf0 n ALA 54 N -2.44 1.77 -0.13 0.04 0.00 -0.34 -4.53 120.51 114.88 2qf0 n ALA 54 Ca -0.05 -0.54 -0.05 0.00 0.00 0.00 0.00 53.44 52.81 2qf0 n ALA 54 Cb 0.98 0.15 0.02 0.00 0.00 0.00 0.00 19.45 20.60 2qf0 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qf0 h ALA 55 N 0.21 0.18 -0.13 0.00 0.00 -0.82 -1.18 119.26 117.53 2qf0 h ALA 55 Ca -0.25 0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2qf0 h ALA 55 Cb 1.47 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 2qf0 h ALA 55 CO -0.01 -0.51 0.59 -1.35 0.00 0.00 0.00 179.25 177.96 2qf0 h PRO 56 N -0.08 0.00 -0.41 0.00 0.11 -1.80 0.62 132.00 130.44 2qf0 h PRO 56 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2qf0 h PRO 56 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.50 2qf0 h PRO 56 CO -0.48 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.31 2qf0 n ALA 57 N -1.87 2.42 -2.85 -0.75 0.00 -0.45 -4.61 120.51 112.40 2qf0 n ALA 57 Ca 0.02 -0.99 -0.34 0.00 0.00 0.00 0.00 53.44 52.12 2qf0 n ALA 57 Cb 0.66 -0.90 -0.10 0.00 0.00 0.00 0.00 19.45 19.11 2qf0 n ALA 57 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qf0 s VAL 58 N -1.47 4.55 0.39 0.00 1.01 0.21 -1.78 120.40 123.32 2qf0 s VAL 58 Ca 0.39 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.33 2qf0 s VAL 58 Cb 0.23 -3.03 -0.06 0.00 0.00 0.00 0.00 36.38 33.51 2qf0 s VAL 58 CO 0.31 0.48 0.09 0.68 0.00 0.00 0.00 175.10 176.66 2qf0 s VAL 59 N 0.31 2.29 0.14 2.92 -7.23 -0.67 -4.47 120.40 113.69 2qf0 s VAL 59 Ca 0.02 -1.86 0.03 0.00 -1.81 0.00 0.00 61.98 58.35 2qf0 s VAL 59 Cb -0.13 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.83 2qf0 s VAL 59 CO 0.01 -0.05 0.25 0.20 -0.31 0.00 0.00 175.10 175.19 2qf0 s ASN 60 N -3.80 6.17 -0.05 4.85 0.01 -1.02 -1.47 114.94 119.63 2qf0 s ASN 60 Ca 0.38 0.12 0.02 0.00 -0.71 0.00 0.00 52.86 52.67 2qf0 s ASN 60 Cb 0.05 -1.82 0.02 0.00 0.41 0.00 0.00 41.25 39.90 2qf0 s ASN 60 CO 0.20 0.07 -0.09 -0.69 -1.51 0.00 0.00 177.10 175.08 2qf0 s VAL 61 N -1.71 0.86 0.23 1.60 1.01 0.87 -2.19 120.40 121.07 2qf0 s VAL 61 Ca 0.34 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 62.07 2qf0 s VAL 61 Cb -0.11 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 2qf0 s VAL 61 CO 0.27 0.29 -0.12 -0.31 0.00 0.00 0.00 175.10 175.24 2qf0 s TYR 62 N 0.74 1.81 -0.16 5.22 1.51 -0.83 -0.46 117.35 125.19 2qf0 s TYR 62 Ca -0.13 -0.60 0.06 0.00 -1.01 0.00 0.00 57.07 55.39 2qf0 s TYR 62 Cb -0.15 -0.90 -0.14 0.00 -0.11 0.00 0.00 41.96 40.66 2qf0 s TYR 62 CO 0.02 0.35 -0.07 0.09 -1.11 0.00 0.00 175.55 174.83 2qf0 n ASN 63 N -0.45 2.20 0.00 2.29 3.02 -1.17 -1.43 115.26 119.71 2qf0 n ASN 63 Ca -0.07 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 2qf0 n ASN 63 Cb 0.61 0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.98 2qf0 n ASN 63 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 2qf0 n ILE 76 N -2.80 0.00 0.00 2.41 -5.35 -1.26 -4.52 119.36 107.84 2qf0 n ILE 76 Ca -0.27 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 2qf0 n ILE 76 Cb 0.88 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.78 2qf0 n ILE 76 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 2qf0 n ARG 77 N 0.00 0.00 -4.38 6.28 0.63 -1.26 -5.06 116.66 112.87 2qf0 n ARG 77 Ca 0.00 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.68 2qf0 n ARG 77 Cb 0.00 -0.01 -0.12 0.00 0.45 0.00 0.00 32.46 32.78 2qf0 n ARG 77 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2qf0 s THR 78 N 0.00 2.12 0.13 5.15 2.01 -1.26 -5.16 115.64 118.63 2qf0 s THR 78 Ca 0.00 -1.93 -0.01 0.00 0.31 0.00 0.00 61.69 60.06 2qf0 s THR 78 Cb 0.00 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 2qf0 s THR 78 CO 0.00 -0.15 0.06 -1.48 -0.69 0.00 0.00 174.62 172.35 2qf0 s LEU 79 N -2.55 1.79 0.00 4.42 0.05 -1.26 -3.06 118.68 118.08 2qf0 s LEU 79 Ca 0.17 -1.18 0.00 0.00 0.05 0.00 0.00 54.13 53.17 2qf0 s LEU 79 Cb -0.08 0.32 0.00 0.00 -2.05 0.00 0.00 46.19 44.39 2qf0 s LEU 79 CO 0.08 -0.73 0.00 0.61 -0.55 0.00 0.00 176.35 175.76 2qf0 n GLY 80 N -0.08 2.22 3.49 -3.48 0.00 0.39 -4.68 105.19 103.05 2qf0 n GLY 80 Ca -0.06 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 2qf0 n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qf0 s SER 81 N 2.00 2.60 0.26 1.61 0.01 -0.37 -0.09 113.70 119.72 2qf0 s SER 81 Ca 0.00 -1.50 -0.21 0.00 1.31 0.00 0.00 55.95 55.55 2qf0 s SER 81 Cb 0.00 0.16 0.03 0.00 0.21 0.00 0.00 66.02 66.42 2qf0 s SER 81 CO 0.00 -0.74 0.70 -0.83 0.41 0.00 0.00 173.24 172.79 2qf0 s GLY 82 N -3.55 -0.17 -0.06 3.44 0.00 -0.54 -4.16 107.32 102.27 2qf0 s GLY 82 Ca 0.30 -0.18 0.03 0.00 0.00 0.00 0.00 44.72 44.87 2qf0 s GLY 82 CO 0.14 -0.05 -0.13 0.14 0.00 0.00 0.00 173.10 173.21 2qf0 s VAL 83 N -3.88 1.15 0.39 1.40 1.01 0.22 -1.67 120.40 119.02 2qf0 s VAL 83 Ca 0.09 -0.50 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 2qf0 s VAL 83 Cb -0.05 -1.04 -0.08 0.00 0.00 0.00 0.00 36.38 35.21 2qf0 s VAL 83 CO 0.04 0.36 0.80 -0.63 0.00 0.00 0.00 175.10 175.66 2qf0 s ILE 84 N 0.54 4.67 0.27 2.22 1.01 -0.73 -0.18 121.20 129.00 2qf0 s ILE 84 Ca -0.12 0.91 -0.07 0.00 0.00 0.00 0.00 60.65 61.36 2qf0 s ILE 84 Cb -0.15 -3.67 -0.06 0.00 0.01 0.00 0.00 42.46 38.59 2qf0 s ILE 84 CO 0.03 -0.38 -0.14 -0.67 0.00 0.00 0.00 174.94 173.78 2qf0 n ASP 86 N -0.88 -1.81 0.16 3.58 -0.08 -1.23 -1.31 116.55 114.97 2qf0 n ASP 86 Ca 0.04 0.21 0.13 0.00 -1.51 0.00 0.00 54.79 53.66 2qf0 n ASP 86 Cb 0.54 -0.34 0.54 0.00 2.34 0.00 0.00 41.12 44.19 2qf0 n ASP 86 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 2qf0 h GLN 87 N -0.12 0.00 0.00 -0.67 5.75 -1.92 -2.52 115.11 115.62 2qf0 h GLN 87 Ca -0.17 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.33 2qf0 h GLN 87 Cb 0.58 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.13 2qf0 h GLN 87 CO 0.15 0.00 0.00 0.54 -2.65 0.00 0.00 178.83 176.87 2qf0 n ARG 88 N -2.40 0.45 -0.15 1.69 1.74 -1.26 -4.80 116.66 111.93 2qf0 n ARG 88 Ca 0.02 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2qf0 n ARG 88 Cb 0.24 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 2qf0 n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qf0 n GLY 89 N 0.27 0.71 3.72 -0.13 0.00 -0.95 -4.71 105.19 104.10 2qf0 n GLY 89 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2qf0 n GLY 89 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qf0 s TYR 90 N -2.18 3.45 -0.02 1.61 1.51 -1.25 -2.38 117.35 118.08 2qf0 s TYR 90 Ca 0.00 1.33 0.06 0.00 -1.01 0.00 0.00 57.07 57.45 2qf0 s TYR 90 Cb 0.00 -3.41 -0.01 0.00 -0.11 0.00 0.00 41.96 38.42 2qf0 s TYR 90 CO 0.00 -1.23 -0.21 0.42 -1.11 0.00 0.00 175.55 173.42 2qf0 s ILE 91 N 0.93 1.71 -0.10 2.71 1.01 0.34 -3.57 121.20 124.24 2qf0 s ILE 91 Ca 0.58 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 2qf0 s ILE 91 Cb -0.30 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 2qf0 s ILE 91 CO 0.30 0.48 0.00 -0.63 0.00 0.00 0.00 174.94 175.10 2qf0 s ILE 92 N -0.43 4.33 0.37 2.92 1.01 0.75 0.39 121.20 130.53 2qf0 s ILE 92 Ca 0.06 -0.24 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 2qf0 s ILE 92 Cb -0.09 -2.83 0.04 0.00 0.01 0.00 0.00 42.46 39.58 2qf0 s ILE 92 CO -0.00 0.59 0.68 0.28 0.00 0.00 0.00 174.94 176.49 2qf0 s THR 93 N -0.73 0.00 0.31 2.92 -1.32 -1.02 0.73 115.64 116.54 2qf0 s THR 93 Ca 0.11 -1.21 -0.18 0.00 -1.21 0.00 0.00 61.69 59.20 2qf0 s THR 93 Cb -0.12 -2.77 -0.09 0.00 -1.51 0.00 0.00 72.50 68.01 2qf0 s THR 93 CO 0.02 0.00 0.78 0.20 -2.21 0.00 0.00 174.62 173.42 2qf0 s ASN 94 N -3.12 6.92 0.03 8.08 0.02 -1.26 -0.51 114.94 125.09 2qf0 s ASN 94 Ca 0.21 1.43 -0.27 0.00 -1.02 0.00 0.00 52.86 53.20 2qf0 s ASN 94 Cb -0.03 -2.43 -0.17 0.00 0.02 0.00 0.00 41.25 38.64 2qf0 s ASN 94 CO 0.14 -0.16 1.33 0.50 0.02 0.00 0.00 177.10 178.94 2qf0 h LYS 95 N 2.58 -0.59 0.00 -0.60 3.64 -0.60 -2.74 116.57 118.27 2qf0 h LYS 95 Ca -0.48 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2qf0 h LYS 95 Cb 1.18 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 2qf0 h LYS 95 CO 0.65 -0.30 0.01 -2.39 -2.27 0.00 0.00 179.45 175.15 2qf0 n HIS 96 N -5.26 0.00 0.02 1.91 1.44 -1.26 -0.70 115.22 111.36 2qf0 n HIS 96 Ca -0.11 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.52 2qf0 n HIS 96 Cb 0.30 -0.28 -0.13 0.00 0.12 0.00 0.00 29.99 30.00 2qf0 n HIS 96 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 2qf0 h VAL 97 N 0.00 1.29 0.00 0.61 2.07 -1.86 -3.35 116.25 115.01 2qf0 h VAL 97 Ca 0.00 -3.07 -0.07 0.00 0.82 0.00 0.00 66.70 64.37 2qf0 h VAL 97 Cb 0.02 2.64 -0.16 0.00 -1.52 0.00 0.00 31.29 32.27 2qf0 h VAL 97 CO 0.00 0.74 -0.72 2.30 0.02 0.00 0.00 177.57 179.91 2qf0 n ILE 98 N -3.21 1.27 0.43 4.57 -5.35 0.12 -4.76 119.36 112.43 2qf0 n ILE 98 Ca -0.08 -2.28 0.01 0.00 -0.27 0.00 0.00 62.75 60.12 2qf0 n ILE 98 Cb 0.99 0.28 0.03 0.00 -1.74 0.00 0.00 39.64 39.21 2qf0 n ILE 98 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2qf0 n ASN 99 N -0.44 0.00 0.00 7.28 5.15 0.01 -4.49 115.26 122.76 2qf0 n ASN 99 Ca 0.13 -0.40 0.00 0.00 -0.60 0.00 0.00 54.58 53.72 2qf0 n ASN 99 Cb 0.88 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.13 2qf0 n ASN 99 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2qf0 n ASP 100 N -0.58 0.00 0.00 1.20 2.03 -1.26 -5.07 116.55 112.87 2qf0 n ASP 100 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2qf0 n ASP 100 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2qf0 n ASP 100 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qf0 n ALA 101 N -0.08 0.00 0.00 -1.67 0.00 -1.26 -4.96 120.51 112.54 2qf0 n ALA 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qf0 n ALA 101 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qf0 n ALA 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qf0 n ASP 102 N 0.00 2.16 -3.10 0.00 8.00 -1.26 -4.90 116.55 117.45 2qf0 n ASP 102 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 2qf0 n ASP 102 Cb 0.00 0.26 -0.04 0.00 -0.02 0.00 0.00 41.12 41.32 2qf0 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qf0 n GLN 103 N -1.05 1.92 -1.53 -1.24 1.13 -1.26 -5.06 117.38 110.29 2qf0 n GLN 103 Ca 0.00 -4.01 -0.43 0.00 -1.94 0.00 0.00 57.00 50.62 2qf0 n GLN 103 Cb 0.17 -1.91 -0.05 0.00 0.11 0.00 0.00 30.24 28.56 2qf0 n GLN 103 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 2qf0 n ILE 104 N 0.17 0.13 -5.05 5.09 5.41 -1.26 -4.34 119.36 119.52 2qf0 n ILE 104 Ca 0.27 -0.48 -0.30 0.00 1.00 0.00 0.00 62.75 63.24 2qf0 n ILE 104 Cb 0.53 -2.23 -0.17 0.00 -0.71 0.00 0.00 39.64 37.07 2qf0 n ILE 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 2qf0 s ILE 105 N 9.38 1.81 -0.12 1.39 2.07 -0.51 -2.27 121.20 132.95 2qf0 s ILE 105 Ca 1.05 -0.88 -0.07 0.00 -1.41 0.00 0.00 60.65 59.35 2qf0 s ILE 105 Cb -0.50 -1.58 -0.04 0.00 0.13 0.00 0.00 42.46 40.47 2qf0 s ILE 105 CO 0.37 0.51 0.12 -0.69 -1.91 0.00 0.00 174.94 173.34 2qf0 s VAL 106 N 0.42 5.35 -0.19 4.00 1.01 -1.12 -1.96 120.40 127.92 2qf0 s VAL 106 Ca -0.18 0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.96 2qf0 s VAL 106 Cb -0.17 -3.33 0.04 0.00 0.00 0.00 0.00 36.38 32.91 2qf0 s VAL 106 CO 0.08 0.61 -0.13 0.00 0.00 0.00 0.00 175.10 175.66 2qf0 s ALA 107 N -0.93 2.06 0.52 5.51 0.00 -0.93 -1.49 121.76 126.50 2qf0 s ALA 107 Ca 0.14 -1.18 -0.13 0.00 0.00 0.00 0.00 51.96 50.79 2qf0 s ALA 107 Cb -0.12 -1.23 -0.06 0.00 0.00 0.00 0.00 23.12 21.70 2qf0 s ALA 107 CO 0.03 -0.67 0.94 -0.51 0.00 0.00 0.00 175.76 175.56 2qf0 s LEU 108 N 1.38 3.56 0.14 0.00 1.02 -0.69 -2.45 118.68 121.64 2qf0 s LEU 108 Ca 0.01 1.41 -0.16 0.00 0.02 0.00 0.00 54.13 55.40 2qf0 s LEU 108 Cb -0.15 -4.37 -0.00 0.00 0.02 0.00 0.00 46.19 41.69 2qf0 s LEU 108 CO -0.09 -0.63 1.72 1.56 0.02 0.00 0.00 176.35 178.93 2qf0 h GLN 109 N 0.60 0.57 -0.17 1.70 1.08 -1.82 -2.56 115.11 114.51 2qf0 h GLN 109 Ca -0.46 -0.08 0.05 0.00 -1.45 0.00 0.00 58.65 56.71 2qf0 h GLN 109 Cb 1.19 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.51 2qf0 h GLN 109 CO 0.62 0.48 0.30 0.38 -0.95 0.00 0.00 178.83 179.66 2qf0 h ASP 110 N 0.50 0.00 0.00 1.46 3.04 -1.94 -3.45 116.42 116.03 2qf0 h ASP 110 Ca 0.14 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.93 2qf0 h ASP 110 Cb 0.10 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.39 2qf0 h ASP 110 CO -0.02 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.79 2qf0 n GLY 111 N -1.33 2.95 3.55 7.15 0.00 -0.96 -5.11 105.19 111.43 2qf0 n GLY 111 Ca 0.02 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 2qf0 n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qf0 n ARG 112 N 0.00 0.84 -4.25 1.61 1.74 -1.26 -4.71 116.66 110.64 2qf0 n ARG 112 Ca 0.00 0.32 -0.20 0.00 -0.77 0.00 0.00 57.85 57.19 2qf0 n ARG 112 Cb 0.00 -1.93 -0.12 0.00 -1.02 0.00 0.00 32.46 29.39 2qf0 n ARG 112 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qf0 s VAL 113 N -1.52 1.30 0.30 1.55 1.01 -1.26 -1.70 120.40 120.07 2qf0 s VAL 113 Ca 0.69 -1.32 0.04 0.00 0.00 0.00 0.00 61.98 61.39 2qf0 s VAL 113 Cb -0.47 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 2qf0 s VAL 113 CO 0.53 -0.13 0.20 -0.36 0.00 0.00 0.00 175.10 175.34 2qf0 s PHE 114 N -1.16 1.58 -0.19 5.22 0.08 -0.56 -5.03 117.98 117.92 2qf0 s PHE 114 Ca 0.01 -1.50 -0.00 0.00 0.12 0.00 0.00 56.93 55.56 2qf0 s PHE 114 Cb -0.10 -0.74 0.05 0.00 -0.57 0.00 0.00 43.02 41.66 2qf0 s PHE 114 CO 0.03 -0.69 -0.05 -2.00 -0.10 0.00 0.00 175.22 172.41 2qf0 s GLU 115 N -3.73 1.45 0.37 0.44 2.56 -1.26 -2.79 118.70 115.74 2qf0 s GLU 115 Ca 0.38 -0.68 0.08 0.00 0.00 0.00 0.00 54.97 54.75 2qf0 s GLU 115 Cb 0.04 -2.23 -0.03 0.00 2.00 0.00 0.00 34.13 33.91 2qf0 s GLU 115 CO 0.21 -0.51 0.28 0.00 -0.56 0.00 0.00 175.26 174.68 2qf0 s ALA 116 N 1.57 3.82 -0.05 6.30 0.00 -0.96 -4.41 121.76 128.03 2qf0 s ALA 116 Ca -0.02 -1.82 0.06 0.00 0.00 0.00 0.00 51.96 50.18 2qf0 s ALA 116 Cb -0.17 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 2qf0 s ALA 116 CO -0.07 -0.09 -0.22 -0.48 0.00 0.00 0.00 175.76 174.89 2qf0 s LEU 117 N -4.00 2.02 -0.68 0.00 2.34 -0.92 -4.57 118.68 112.88 2qf0 s LEU 117 Ca 0.43 -0.45 -0.26 0.00 0.06 0.00 0.00 54.13 53.91 2qf0 s LEU 117 Cb -0.03 -1.23 -0.05 0.00 -0.56 0.00 0.00 46.19 44.32 2qf0 s LEU 117 CO 0.26 0.22 2.04 -0.22 -1.06 0.00 0.00 176.35 177.59 2qf0 s LEU 118 N -0.16 3.24 0.07 1.48 1.98 -1.26 -2.81 118.68 121.23 2qf0 s LEU 118 Ca -0.02 0.21 -0.19 0.00 -2.89 0.00 0.00 54.13 51.24 2qf0 s LEU 118 Cb -0.12 -2.53 -0.10 0.00 0.66 0.00 0.00 46.19 44.10 2qf0 s LEU 118 CO 0.03 -2.71 1.49 0.58 -1.89 0.00 0.00 176.35 173.84 2qf0 h VAL 119 N 7.21 1.27 -2.24 1.68 2.07 -1.57 -3.48 116.25 121.19 2qf0 h VAL 119 Ca -0.14 -0.96 0.21 0.00 0.82 0.00 0.00 66.70 66.62 2qf0 h VAL 119 Cb 1.13 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 32.29 2qf0 h VAL 119 CO 1.18 0.30 0.60 -0.83 0.02 0.00 0.00 177.57 178.84 2qf0 s GLY 120 N -3.17 -0.14 0.28 2.17 0.00 -1.24 -4.94 107.32 100.29 2qf0 s GLY 120 Ca -0.14 0.06 0.04 0.00 0.00 0.00 0.00 44.72 44.68 2qf0 s GLY 120 CO 0.74 1.11 0.22 -0.56 0.00 0.00 0.00 173.10 174.61 2qf0 s SER 121 N -3.15 1.09 -0.21 1.64 0.01 -1.26 -2.06 113.70 109.77 2qf0 s SER 121 Ca 0.17 -1.61 -0.04 0.00 1.31 0.00 0.00 55.95 55.78 2qf0 s SER 121 Cb -0.01 0.48 0.10 0.00 0.21 0.00 0.00 66.02 66.81 2qf0 s SER 121 CO 0.02 -0.97 0.25 -0.62 0.41 0.00 0.00 173.24 172.33 2qf0 s ASP 122 N -3.29 1.14 0.37 2.44 2.15 -0.67 -4.97 116.67 113.85 2qf0 s ASP 122 Ca 0.40 -0.13 0.09 0.00 0.43 0.00 0.00 52.55 53.34 2qf0 s ASP 122 Cb 0.04 0.53 0.73 0.00 -0.30 0.00 0.00 42.92 43.92 2qf0 s ASP 122 CO 0.21 -0.32 1.88 0.28 -0.17 0.00 0.00 175.17 177.05 2qf0 h SER 123 N 8.29 0.22 1.27 -0.34 0.02 -1.97 0.39 113.55 121.43 2qf0 h SER 123 Ca -0.17 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.68 2qf0 h SER 123 Cb 1.15 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 2qf0 h SER 123 CO 0.28 0.42 -0.22 0.25 -1.14 0.00 0.00 176.83 176.42 2qf0 h LEU 124 N 0.22 0.00 -0.50 5.07 6.46 -1.97 -3.35 115.31 121.24 2qf0 h LEU 124 Ca 0.04 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2qf0 h LEU 124 Cb 0.45 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 2qf0 h LEU 124 CO 0.03 0.22 0.00 0.35 -0.62 0.00 0.00 178.44 178.42 2qf0 n THR 125 N -3.26 0.00 -1.17 1.05 -2.24 -1.14 -5.01 114.28 102.50 2qf0 n THR 125 Ca 0.01 -0.34 -0.06 0.00 -2.27 0.00 0.00 64.05 61.40 2qf0 n THR 125 Cb 0.50 1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 69.95 2qf0 n THR 125 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2qf0 n ASP 126 N -0.18 -4.74 -4.91 3.42 2.03 0.11 -5.00 116.55 107.29 2qf0 n ASP 126 Ca 0.00 0.15 -0.29 0.00 0.52 0.00 0.00 54.79 55.17 2qf0 n ASP 126 Cb 0.06 -2.77 -0.04 0.00 -0.72 0.00 0.00 41.12 37.66 2qf0 n ASP 126 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2qf0 s LEU 127 N -1.36 4.18 0.10 -2.67 1.43 -1.24 0.06 118.68 119.19 2qf0 s LEU 127 Ca 0.00 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 2qf0 s LEU 127 Cb 0.00 -3.35 -0.04 0.00 0.03 0.00 0.00 46.19 42.83 2qf0 s LEU 127 CO 0.00 -0.07 -0.07 0.00 0.23 0.00 0.00 176.35 176.44 2qf0 s ALA 128 N -1.89 1.04 -0.07 4.21 0.00 0.33 -1.66 121.76 123.72 2qf0 s ALA 128 Ca 0.41 -1.36 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2qf0 s ALA 128 Cb -0.11 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.16 2qf0 s ALA 128 CO 0.28 -0.21 -0.10 0.08 0.00 0.00 0.00 175.76 175.81 2qf0 s VAL 129 N -3.51 1.02 0.30 0.00 1.01 -0.87 -2.44 120.40 115.91 2qf0 s VAL 129 Ca 0.12 -0.38 0.09 0.00 0.00 0.00 0.00 61.98 61.81 2qf0 s VAL 129 Cb 0.04 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2qf0 s VAL 129 CO -0.04 0.34 0.05 -0.76 0.00 0.00 0.00 175.10 174.70 2qf0 s LEU 130 N 0.97 3.19 -0.04 3.92 1.43 0.16 -1.37 118.68 126.95 2qf0 s LEU 130 Ca -0.09 -0.74 -0.00 0.00 -1.03 0.00 0.00 54.13 52.26 2qf0 s LEU 130 Cb -0.15 -1.67 0.03 0.00 0.03 0.00 0.00 46.19 44.43 2qf0 s LEU 130 CO 0.00 -0.15 0.02 -0.75 0.23 0.00 0.00 176.35 175.70 2qf0 s LYS 131 N -3.74 0.22 0.11 1.70 2.47 -1.12 -0.50 119.74 118.87 2qf0 s LYS 131 Ca 0.34 0.16 0.09 0.00 -1.56 0.00 0.00 55.97 55.00 2qf0 s LYS 131 Cb -0.04 -0.52 -0.04 0.00 -1.46 0.00 0.00 37.83 35.77 2qf0 s LYS 131 CO 0.21 -0.20 -0.18 0.96 0.16 0.00 0.00 175.35 176.29 2qf0 s ILE 132 N 1.39 2.82 -1.01 5.43 -4.36 -1.00 -2.16 121.20 122.31 2qf0 s ILE 132 Ca -0.05 -1.47 -0.20 0.00 -0.26 0.00 0.00 60.65 58.67 2qf0 s ILE 132 Cb -0.13 -2.28 -0.09 0.00 1.25 0.00 0.00 42.46 41.21 2qf0 s ILE 132 CO -0.03 0.13 1.97 0.59 0.24 0.00 0.00 174.94 177.84 2qf0 n ASN 133 N 0.89 3.06 -4.72 4.36 3.02 -1.26 -4.61 115.26 116.00 2qf0 n ASN 133 Ca -0.16 -2.73 -0.64 0.00 -0.03 0.00 0.00 54.58 51.02 2qf0 n ASN 133 Cb 0.53 -1.38 -0.09 0.00 -0.61 0.00 0.00 39.78 38.22 2qf0 n ASN 133 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qf0 n ALA 134 N 8.59 -0.91 -1.45 5.41 0.00 -1.26 -4.95 120.51 125.94 2qf0 n ALA 134 Ca 0.49 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.38 2qf0 n ALA 134 Cb 0.42 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2qf0 n ALA 134 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qf0 n THR 135 N 4.31 0.00 -0.28 0.00 -2.24 -1.26 -4.79 114.28 110.03 2qf0 n THR 135 Ca 0.31 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 2qf0 n THR 135 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2qf0 n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qf0 n GLY 136 N 5.00 1.85 0.00 3.38 0.00 -1.26 -4.85 105.19 109.31 2qf0 n GLY 136 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qf0 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qf0 n GLY 137 N 1.59 2.86 3.13 -0.02 0.00 -1.26 -5.13 105.19 106.36 2qf0 n GLY 137 Ca 0.00 -1.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 2qf0 n GLY 137 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qf0 s LEU 138 N 0.00 1.35 -0.03 0.99 1.43 -1.26 -5.06 118.68 116.10 2qf0 s LEU 138 Ca 0.00 -0.06 -0.23 0.00 -1.03 0.00 0.00 54.13 52.81 2qf0 s LEU 138 Cb 0.00 0.82 -0.04 0.00 0.03 0.00 0.00 46.19 46.99 2qf0 s LEU 138 CO 0.00 -0.35 0.71 -2.16 0.23 0.00 0.00 176.35 174.78 2qf0 s PRO 139 N -1.17 4.44 0.21 1.29 0.04 -1.26 -4.93 135.00 133.62 2qf0 s PRO 139 Ca -0.12 0.92 0.07 0.00 0.04 0.00 0.00 61.00 61.90 2qf0 s PRO 139 Cb -0.06 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 2qf0 s PRO 139 CO 0.02 0.17 0.13 0.95 0.04 0.00 0.00 177.00 178.31 2qf0 s THR 140 N 0.43 4.26 -0.05 1.26 -4.23 -1.26 -4.52 115.64 111.53 2qf0 s THR 140 Ca 0.37 -1.36 -0.29 0.00 -1.18 0.00 0.00 61.69 59.23 2qf0 s THR 140 Cb -0.19 -3.24 -0.02 0.00 1.34 0.00 0.00 72.50 70.39 2qf0 s THR 140 CO 0.19 -0.24 0.97 -0.51 -0.54 0.00 0.00 174.62 174.49 2qf0 s ILE 141 N -1.98 4.85 0.34 2.99 1.10 -0.43 -4.73 121.20 123.34 2qf0 s ILE 141 Ca 0.31 2.00 -0.29 0.00 -0.51 0.00 0.00 60.65 62.16 2qf0 s ILE 141 Cb -0.09 -4.29 -0.12 0.00 0.15 0.00 0.00 42.46 38.11 2qf0 s ILE 141 CO 0.23 0.10 1.42 -2.65 -2.11 0.00 0.00 174.94 171.93 2qf0 n PRO 142 N 4.37 2.41 -3.63 3.50 -0.02 -1.26 -4.92 135.00 135.44 2qf0 n PRO 142 Ca 0.06 0.85 -0.27 0.00 -2.02 0.00 0.00 63.50 62.12 2qf0 n PRO 142 Cb 0.50 -2.52 -0.16 0.00 -0.02 0.00 0.00 33.50 31.29 2qf0 n PRO 142 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qf0 s ILE 143 N -0.85 0.10 -0.63 4.25 1.01 -1.26 -1.92 121.20 121.90 2qf0 s ILE 143 Ca 0.57 -0.41 -0.16 0.00 0.00 0.00 0.00 60.65 60.64 2qf0 s ILE 143 Cb -0.53 -0.80 0.14 0.00 0.01 0.00 0.00 42.46 41.28 2qf0 s ILE 143 CO 0.60 -0.36 0.64 0.21 0.00 0.00 0.00 174.94 176.03 2qf0 s ASN 144 N 2.04 6.33 0.60 3.58 3.84 -1.26 -4.91 114.94 125.17 2qf0 s ASN 144 Ca 0.03 -1.91 0.37 0.00 0.21 0.00 0.00 52.86 51.57 2qf0 s ASN 144 Cb -0.16 -2.24 1.93 0.00 -0.55 0.00 0.00 41.25 40.22 2qf0 s ASN 144 CO -0.14 -0.87 2.21 0.00 -2.79 0.00 0.00 177.10 175.51 2qf0 h ALA 145 N 8.73 1.10 -0.28 1.71 0.00 -1.98 -2.62 119.26 125.92 2qf0 h ALA 145 Ca -0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2qf0 h ALA 145 Cb 1.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2qf0 h ALA 145 CO 1.00 0.03 0.00 0.54 0.00 0.00 0.00 179.25 180.82 2qf0 n ARG 146 N -3.27 2.08 -3.70 0.00 1.74 -1.26 -4.89 116.66 107.35 2qf0 n ARG 146 Ca -0.02 -1.63 -0.36 0.00 -0.77 0.00 0.00 57.85 55.07 2qf0 n ARG 146 Cb 0.16 -1.44 -0.07 0.00 -1.02 0.00 0.00 32.46 30.09 2qf0 n ARG 146 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2qf0 s ARG 147 N -1.63 4.03 -0.16 5.56 3.52 -0.99 -5.08 118.95 124.20 2qf0 s ARG 147 Ca 0.35 -0.09 -0.04 0.00 -0.13 0.00 0.00 55.73 55.81 2qf0 s ARG 147 Cb 0.19 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 30.19 2qf0 s ARG 147 CO 0.28 0.41 -0.02 0.14 -0.81 0.00 0.00 175.30 175.29 2qf0 s VAL 148 N 0.02 4.01 0.47 7.11 -7.23 -1.26 -5.02 120.40 118.50 2qf0 s VAL 148 Ca 0.12 -0.31 -0.24 0.00 -1.81 0.00 0.00 61.98 59.74 2qf0 s VAL 148 Cb -0.12 -2.77 -0.07 0.00 0.56 0.00 0.00 36.38 33.98 2qf0 s VAL 148 CO 0.01 0.48 1.37 -2.84 -0.31 0.00 0.00 175.10 173.82 2qf0 s PRO 149 N 0.41 3.58 0.05 4.82 0.02 -1.26 -5.03 135.00 137.59 2qf0 s PRO 149 Ca -0.03 2.28 0.07 0.00 0.02 0.00 0.00 61.00 63.34 2qf0 s PRO 149 Cb -0.14 -2.54 -0.03 0.00 0.02 0.00 0.00 34.50 31.81 2qf0 s PRO 149 CO 0.03 -0.85 -0.19 -1.01 -0.33 0.00 0.00 177.00 174.65 2qf0 s HIS 150 N -1.26 1.63 -0.02 6.54 3.76 -1.26 -5.05 115.29 119.63 2qf0 s HIS 150 Ca 0.63 -0.38 -0.30 0.00 -0.15 0.00 0.00 55.06 54.87 2qf0 s HIS 150 Cb -0.41 -0.96 -0.06 0.00 1.11 0.00 0.00 32.58 32.26 2qf0 s HIS 150 CO 0.51 0.09 1.69 0.42 -0.85 0.00 0.00 174.74 176.61 2qf0 s ILE 151 N -0.88 3.43 0.00 0.60 1.01 -1.26 -1.34 121.20 122.76 2qf0 s ILE 151 Ca 0.05 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.29 2qf0 s ILE 151 Cb -0.09 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.01 2qf0 s ILE 151 CO 0.02 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.53 2qf0 n GLY 152 N 4.16 2.16 3.72 6.18 0.00 -0.61 -4.97 105.19 115.82 2qf0 n GLY 152 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2qf0 n GLY 152 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qf0 n ASP 153 N 0.00 3.53 -4.72 1.61 8.00 -0.45 -4.67 116.55 119.85 2qf0 n ASP 153 Ca 0.00 1.13 -0.42 0.00 0.71 0.00 0.00 54.79 56.22 2qf0 n ASP 153 Cb 0.00 -1.54 -0.03 0.00 -0.02 0.00 0.00 41.12 39.53 2qf0 n ASP 153 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qf0 s VAL 154 N 0.14 3.90 0.09 2.53 1.01 -1.26 -1.66 120.40 125.14 2qf0 s VAL 154 Ca 0.67 1.41 0.03 0.00 0.00 0.00 0.00 61.98 64.09 2qf0 s VAL 154 Cb -0.55 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 2qf0 s VAL 154 CO 0.47 0.14 -0.09 0.68 0.00 0.00 0.00 175.10 176.30 2qf0 s VAL 155 N 0.81 0.79 -0.11 2.92 -7.23 -0.09 -3.28 120.40 114.20 2qf0 s VAL 155 Ca 0.58 -1.62 0.02 0.00 -1.81 0.00 0.00 61.98 59.15 2qf0 s VAL 155 Cb -0.30 -1.30 0.01 0.00 0.56 0.00 0.00 36.38 35.35 2qf0 s VAL 155 CO 0.31 -0.62 -0.16 -0.76 -0.31 0.00 0.00 175.10 173.56 2qf0 s LEU 156 N -2.45 1.76 -0.14 1.32 1.43 0.80 -1.06 118.68 120.35 2qf0 s LEU 156 Ca 0.04 -0.44 -0.19 0.00 -1.03 0.00 0.00 54.13 52.51 2qf0 s LEU 156 Cb -0.02 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 2qf0 s LEU 156 CO -0.01 0.02 0.53 0.00 0.23 0.00 0.00 176.35 177.12 2qf0 s ALA 157 N 0.96 3.48 -0.18 4.21 0.00 -0.40 -1.40 121.76 128.42 2qf0 s ALA 157 Ca -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 51.96 51.68 2qf0 s ALA 157 Cb -0.15 -2.76 -0.00 0.00 0.00 0.00 0.00 23.12 20.21 2qf0 s ALA 157 CO -0.01 -0.17 -0.12 0.42 0.00 0.00 0.00 175.76 175.88 2qf0 s ILE 158 N 1.01 2.83 0.00 0.00 1.01 0.92 -2.09 121.20 124.88 2qf0 s ILE 158 Ca 0.27 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 60.23 2qf0 s ILE 158 Cb -0.16 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.08 2qf0 s ILE 158 CO 0.11 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.15 2qf0 n GLY 159 N 4.41 1.95 2.48 6.18 0.00 -0.87 -2.25 105.19 117.09 2qf0 n GLY 159 Ca -0.19 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 44.74 2qf0 n GLY 159 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qf0 n ASN 160 N -0.34 3.23 -4.67 1.61 5.15 -1.05 0.88 115.26 120.06 2qf0 n ASN 160 Ca 0.00 -3.36 -0.45 0.00 -0.60 0.00 0.00 54.58 50.17 2qf0 n ASN 160 Cb 0.00 -0.64 -0.04 0.00 -0.53 0.00 0.00 39.78 38.57 2qf0 n ASN 160 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 2qf0 n PRO 161 N 0.67 2.56 -3.88 1.20 -0.02 -1.26 -2.18 135.00 132.09 2qf0 n PRO 161 Ca 0.29 0.94 -0.31 0.00 -2.02 0.00 0.00 63.50 62.40 2qf0 n PRO 161 Cb 0.44 -2.83 0.01 0.00 -0.02 0.00 0.00 33.50 31.09 2qf0 n PRO 161 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2qf0 n TYR 162 N 6.81 -2.11 -1.23 6.00 4.02 -0.91 -1.66 117.16 128.08 2qf0 n TYR 162 Ca 0.21 0.81 -0.06 0.00 -0.01 0.00 0.00 57.90 58.85 2qf0 n TYR 162 Cb 0.35 -3.63 -0.02 0.00 -0.02 0.00 0.00 39.34 36.02 2qf0 n TYR 162 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2qf0 n ASN 163 N -2.71 -1.60 0.00 7.72 5.15 -0.93 -4.71 115.26 118.18 2qf0 n ASN 163 Ca 0.04 0.16 0.07 0.00 -0.60 0.00 0.00 54.58 54.25 2qf0 n ASN 163 Cb 0.52 -1.76 0.34 0.00 -0.53 0.00 0.00 39.78 38.36 2qf0 n ASN 163 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2qf0 n LEU 164 N -1.45 0.00 0.00 1.20 4.77 -0.66 -4.96 117.00 115.90 2qf0 n LEU 164 Ca -0.06 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 2qf0 n LEU 164 Cb 0.21 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2qf0 n LEU 164 CO 0.09 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.54 2qf0 n GLY 165 N 0.09 2.86 3.58 -0.72 0.00 -1.26 -5.01 105.19 104.71 2qf0 n GLY 165 Ca 0.04 -1.90 -0.59 0.00 0.00 0.00 0.00 46.02 43.58 2qf0 n GLY 165 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2qf0 n GLN 166 N 0.21 0.37 -4.56 1.61 7.27 -1.25 -4.40 117.38 116.62 2qf0 n GLN 166 Ca 0.00 0.13 -0.24 0.00 0.07 0.00 0.00 57.00 56.96 2qf0 n GLN 166 Cb 0.00 -1.68 -0.14 0.00 2.41 0.00 0.00 30.24 30.83 2qf0 n GLN 166 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2qf0 s THR 167 N 0.83 1.53 -0.14 1.69 2.01 0.25 -4.97 115.64 116.85 2qf0 s THR 167 Ca 0.92 -1.16 0.02 0.00 0.31 0.00 0.00 61.69 61.78 2qf0 s THR 167 Cb -1.21 -1.34 0.00 0.00 0.01 0.00 0.00 72.50 69.96 2qf0 s THR 167 CO 0.59 0.15 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.84 2qf0 s ILE 168 N -0.82 2.30 0.09 1.82 -1.09 -1.26 -2.06 121.20 120.19 2qf0 s ILE 168 Ca 0.06 -0.90 0.08 0.00 -2.23 0.00 0.00 60.65 57.66 2qf0 s ILE 168 Cb -0.09 -1.93 -0.03 0.00 -1.58 0.00 0.00 42.46 38.83 2qf0 s ILE 168 CO 0.02 0.54 -0.21 0.42 -1.23 0.00 0.00 174.94 174.47 2qf0 s THR 169 N 0.70 1.76 -0.01 2.92 -4.23 -0.89 -4.98 115.64 110.91 2qf0 s THR 169 Ca -0.09 -1.50 0.04 0.00 -1.18 0.00 0.00 61.69 58.96 2qf0 s THR 169 Cb -0.16 -1.58 -0.03 0.00 1.34 0.00 0.00 72.50 72.07 2qf0 s THR 169 CO 0.01 0.01 -0.10 -1.58 -0.54 0.00 0.00 174.62 172.42 2qf0 s GLN 170 N -1.78 2.47 0.00 3.99 -0.44 -1.26 -1.28 119.66 121.36 2qf0 s GLN 170 Ca 0.07 -0.75 0.00 0.00 -2.50 0.00 0.00 55.36 52.18 2qf0 s GLN 170 Cb -0.10 -2.42 0.00 0.00 -1.64 0.00 0.00 33.01 28.85 2qf0 s GLN 170 CO 0.04 0.60 0.00 0.41 0.50 0.00 0.00 175.29 176.84 2qf0 n GLY 171 N 1.76 2.47 3.24 2.59 0.00 -0.22 -4.47 105.19 110.56 2qf0 n GLY 171 Ca -0.16 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 2qf0 n GLY 171 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qf0 s ILE 172 N -2.02 0.08 -0.31 -0.61 -4.36 -1.26 -0.91 121.20 111.82 2qf0 s ILE 172 Ca 0.00 -1.65 -0.29 0.00 -0.26 0.00 0.00 60.65 58.45 2qf0 s ILE 172 Cb 0.00 -1.94 0.00 0.00 1.25 0.00 0.00 42.46 41.78 2qf0 s ILE 172 CO 0.00 -0.38 1.25 -0.63 0.24 0.00 0.00 174.94 175.42 2qf0 s ILE 173 N -4.01 4.22 -0.06 8.37 1.01 -0.67 -2.71 121.20 127.36 2qf0 s ILE 173 Ca 0.20 1.38 0.13 0.00 0.00 0.00 0.00 60.65 62.36 2qf0 s ILE 173 Cb 0.05 -4.22 -0.07 0.00 0.01 0.00 0.00 42.46 38.24 2qf0 s ILE 173 CO 0.01 -0.48 1.24 0.28 0.00 0.00 0.00 174.94 175.99 2qf0 h SER 174 N 9.02 0.00 -4.53 3.58 0.02 0.02 -1.63 113.55 120.03 2qf0 h SER 174 Ca -0.25 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.73 2qf0 h SER 174 Cb 1.09 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.43 2qf0 h SER 174 CO 1.03 0.69 0.40 0.00 -1.14 0.00 0.00 176.83 177.82 2qf0 s ALA 175 N -2.86 -1.85 -0.42 3.77 0.00 -1.10 -4.94 121.76 114.37 2qf0 s ALA 175 Ca 0.01 1.37 0.03 0.00 0.00 0.00 0.00 51.96 53.38 2qf0 s ALA 175 Cb 0.08 -0.25 0.12 0.00 0.00 0.00 0.00 23.12 23.07 2qf0 s ALA 175 CO 0.78 -0.40 0.16 0.95 0.00 0.00 0.00 175.76 177.26 2qf0 s THR 176 N -1.50 2.08 0.26 0.00 -4.23 -1.26 -1.09 115.64 109.89 2qf0 s THR 176 Ca -0.04 -2.62 0.00 0.00 -1.18 0.00 0.00 61.69 57.85 2qf0 s THR 176 Cb -0.00 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.34 2qf0 s THR 176 CO 0.03 -0.73 0.00 0.61 -0.54 0.00 0.00 174.62 173.99 2qf0 n GLY 177 N 3.79 -2.10 3.08 3.99 0.00 0.82 -4.91 105.19 109.85 2qf0 n GLY 177 Ca 0.04 -1.28 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 2qf0 n GLY 177 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qf0 s ARG 178 N -2.38 0.49 -0.15 1.61 1.81 0.33 -4.85 118.95 115.81 2qf0 s ARG 178 Ca 0.00 -0.64 -0.04 0.00 -1.72 0.00 0.00 55.73 53.33 2qf0 s ARG 178 Cb 0.00 0.19 -0.03 0.00 -0.45 0.00 0.00 34.95 34.66 2qf0 s ARG 178 CO 0.00 -0.11 -0.01 0.42 -0.68 0.00 0.00 175.30 174.92 2qf0 s ILE 179 N -2.02 4.18 0.00 1.52 1.01 -1.26 -4.59 121.20 120.04 2qf0 s ILE 179 Ca -0.10 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2qf0 s ILE 179 Cb -0.05 -2.83 0.00 0.00 0.01 0.00 0.00 42.46 39.59 2qf0 s ILE 179 CO -0.02 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.04 2qf0 n GLY 180 N 3.23 -0.38 3.77 6.18 0.00 -1.26 -4.94 105.19 111.79 2qf0 n GLY 180 Ca -0.17 -1.63 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 2qf0 n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qf0 s LEU 181 N -2.04 4.45 0.21 0.99 1.43 -1.26 -4.93 118.68 117.53 2qf0 s LEU 181 Ca 0.00 2.60 -0.13 0.00 -1.03 0.00 0.00 54.13 55.57 2qf0 s LEU 181 Cb 0.00 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.58 2qf0 s LEU 181 CO 0.00 -0.47 0.43 0.54 0.23 0.00 0.00 176.35 177.09 2qf0 s ASN 182 N -0.49 -0.10 0.62 2.29 2.20 -1.26 -5.04 114.94 113.15 2qf0 s ASN 182 Ca 0.49 -0.80 0.25 0.00 -0.94 0.00 0.00 52.86 51.86 2qf0 s ASN 182 Cb -0.38 0.54 1.13 0.00 -2.00 0.00 0.00 41.25 40.54 2qf0 s ASN 182 CO 0.50 -1.05 1.58 -0.65 -2.94 0.00 0.00 177.10 174.54 2qf0 h PRO 183 N 2.32 0.00 0.00 3.55 0.11 -1.96 0.94 132.00 136.96 2qf0 h PRO 183 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2qf0 h PRO 183 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2qf0 h PRO 183 CO 0.39 0.00 -0.42 0.25 -0.21 0.00 0.00 178.00 178.02 2qf0 n THR 184 N -3.29 0.40 -0.85 -1.15 -2.24 -1.26 -4.92 114.28 100.97 2qf0 n THR 184 Ca 0.12 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2qf0 n THR 184 Cb 0.99 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 2qf0 n THR 184 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qf0 n GLY 185 N 1.34 0.35 3.51 3.38 0.00 0.32 -4.97 105.19 109.12 2qf0 n GLY 185 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 2qf0 n GLY 185 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qf0 s ARG 186 N -0.80 1.82 -0.01 1.61 3.00 -1.26 -4.98 118.95 118.32 2qf0 s ARG 186 Ca 0.00 -1.60 0.03 0.00 0.00 0.00 0.00 55.73 54.17 2qf0 s ARG 186 Cb 0.00 -1.91 -0.05 0.00 0.00 0.00 0.00 34.95 32.99 2qf0 s ARG 186 CO 0.00 0.36 0.06 1.04 0.00 0.00 0.00 175.30 176.76 2qf0 n GLN 187 N -0.45 1.10 -0.81 3.54 1.13 -1.26 -4.60 117.38 116.03 2qf0 n GLN 187 Ca -0.07 -0.02 -0.05 0.00 -1.94 0.00 0.00 57.00 54.92 2qf0 n GLN 187 Cb 0.59 -1.08 0.20 0.00 0.11 0.00 0.00 30.24 30.06 2qf0 n GLN 187 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 2qf0 n ASN 188 N -1.77 2.65 -4.86 1.08 0.23 -1.26 0.12 115.26 111.46 2qf0 n ASN 188 Ca -0.02 -3.72 -0.36 0.00 -0.53 0.00 0.00 54.58 49.95 2qf0 n ASN 188 Cb 0.24 -0.64 -0.06 0.00 -2.08 0.00 0.00 39.78 37.24 2qf0 n ASN 188 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 2qf0 s PHE 189 N -3.22 3.63 -0.07 -2.53 0.40 -1.26 -4.42 117.98 110.50 2qf0 s PHE 189 Ca 0.45 0.82 -0.23 0.00 -0.60 0.00 0.00 56.93 57.37 2qf0 s PHE 189 Cb 0.41 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 2qf0 s PHE 189 CO 0.01 0.59 0.69 -0.51 0.70 0.00 0.00 175.22 176.70 2qf0 s LEU 190 N -1.56 4.31 -0.09 -0.37 1.43 -0.31 -0.12 118.68 121.96 2qf0 s LEU 190 Ca 0.28 1.16 -0.02 0.00 -1.03 0.00 0.00 54.13 54.52 2qf0 s LEU 190 Cb -0.15 -3.06 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 2qf0 s LEU 190 CO 0.15 -0.12 0.02 -1.58 0.23 0.00 0.00 176.35 175.05 2qf0 s GLN 191 N 0.86 3.04 0.07 1.70 0.74 -0.25 -0.72 119.66 125.09 2qf0 s GLN 191 Ca 0.37 -0.37 -0.07 0.00 0.05 0.00 0.00 55.36 55.34 2qf0 s GLN 191 Cb -0.18 -2.85 -0.01 0.00 1.10 0.00 0.00 33.01 31.08 2qf0 s GLN 191 CO 0.17 0.71 0.13 -0.08 -0.55 0.00 0.00 175.29 175.67 2qf0 s THR 192 N -0.91 0.15 -1.20 -0.34 -1.32 0.72 0.76 115.64 113.51 2qf0 s THR 192 Ca 0.14 -1.26 0.17 0.00 -1.21 0.00 0.00 61.69 59.52 2qf0 s THR 192 Cb -0.11 -1.25 0.55 0.00 -1.51 0.00 0.00 72.50 70.18 2qf0 s THR 192 CO 0.03 -0.70 1.46 -0.90 -2.21 0.00 0.00 174.62 172.30 2qf0 n ASP 193 N 0.21 3.86 -4.70 8.08 5.75 -1.10 -0.54 116.55 128.12 2qf0 n ASP 193 Ca -0.16 -2.24 -0.42 0.00 -0.01 0.00 0.00 54.79 51.96 2qf0 n ASP 193 Cb 0.61 -0.44 -0.03 0.00 -1.03 0.00 0.00 41.12 40.23 2qf0 n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qf0 s ALA 194 N -1.44 3.55 -0.17 2.12 0.00 -1.26 -4.71 121.76 119.85 2qf0 s ALA 194 Ca 0.41 0.95 -0.37 0.00 0.00 0.00 0.00 51.96 52.95 2qf0 s ALA 194 Cb 0.24 -3.54 -0.14 0.00 0.00 0.00 0.00 23.12 19.68 2qf0 s ALA 194 CO 0.23 -0.71 1.79 0.43 0.00 0.00 0.00 175.76 177.50 2qf0 n SER 195 N 4.59 2.88 -4.23 0.00 7.64 -1.26 -4.74 113.62 118.50 2qf0 n SER 195 Ca 0.12 1.03 -0.32 0.00 1.01 0.00 0.00 58.87 60.71 2qf0 n SER 195 Cb 0.44 -1.26 -0.17 0.00 -1.01 0.00 0.00 64.21 62.21 2qf0 n SER 195 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2qf0 s ILE 196 N 3.61 2.03 0.33 0.44 -1.09 -1.26 -4.81 121.20 120.45 2qf0 s ILE 196 Ca 0.95 -1.02 0.03 0.00 -2.23 0.00 0.00 60.65 58.38 2qf0 s ILE 196 Cb -0.88 -1.75 -0.05 0.00 -1.58 0.00 0.00 42.46 38.21 2qf0 s ILE 196 CO 0.58 0.56 0.10 0.20 -1.23 0.00 0.00 174.94 175.15 2qf0 s ASN 197 N 0.22 2.08 -0.50 3.58 0.01 -1.26 -4.82 114.94 114.24 2qf0 s ASN 197 Ca -0.15 -1.49 -0.26 0.00 -0.71 0.00 0.00 52.86 50.25 2qf0 s ASN 197 Cb -0.17 0.22 -0.07 0.00 0.41 0.00 0.00 41.25 41.64 2qf0 s ASN 197 CO 0.08 -0.78 2.42 1.57 -1.51 0.00 0.00 177.10 178.88 2qf0 n HIS 198 N -0.68 1.42 0.00 2.20 -0.00 -1.26 -1.73 115.22 115.16 2qf0 n HIS 198 Ca -0.02 0.12 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 2qf0 n HIS 198 Cb 0.66 -2.64 0.00 0.00 -0.00 0.00 0.00 29.99 28.01 2qf0 n HIS 198 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2qf0 n GLY 199 N 6.02 0.45 0.02 1.57 0.00 -1.26 -2.15 105.19 109.84 2qf0 n GLY 199 Ca 0.37 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.51 2qf0 n GLY 199 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qf0 n ASN 200 N 0.00 0.65 -4.69 1.61 4.13 -0.71 -2.53 115.26 113.73 2qf0 n ASN 200 Ca 0.00 -0.37 -0.53 0.00 1.68 0.00 0.00 54.58 55.37 2qf0 n ASN 200 Cb 0.00 0.62 -0.06 0.00 -1.54 0.00 0.00 39.78 38.80 2qf0 n ASN 200 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2qf0 n SER 201 N -1.71 2.82 0.00 6.41 7.64 -1.25 0.11 113.62 127.63 2qf0 n SER 201 Ca 0.04 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.95 2qf0 n SER 201 Cb 0.38 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 2qf0 n SER 201 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qf0 n GLY 202 N 4.12 0.87 3.19 0.23 0.00 0.14 -1.24 105.19 112.49 2qf0 n GLY 202 Ca 0.24 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 2qf0 n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qf0 n GLY 203 N -2.00 -1.67 3.88 -0.02 0.00 0.12 -2.67 105.19 102.82 2qf0 n GLY 203 Ca 0.00 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 2qf0 n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qf0 s ALA 204 N -3.81 3.85 -0.20 4.61 0.00 -0.96 -1.44 121.76 123.82 2qf0 s ALA 204 Ca 0.63 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.61 2qf0 s ALA 204 Cb -0.02 -1.68 0.04 0.00 0.00 0.00 0.00 23.12 21.46 2qf0 s ALA 204 CO 0.45 0.67 -0.14 -1.17 0.00 0.00 0.00 175.76 175.57 2qf0 s LEU 205 N -2.81 2.38 0.14 0.00 2.96 -0.54 -0.06 118.68 120.75 2qf0 s LEU 205 Ca 0.33 -0.85 0.06 0.00 -0.22 0.00 0.00 54.13 53.45 2qf0 s LEU 205 Cb -0.12 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 2qf0 s LEU 205 CO 0.26 -0.09 -0.14 0.68 -1.32 0.00 0.00 176.35 175.74 2qf0 s VAL 206 N 1.31 1.42 0.64 1.68 -7.23 -0.49 -2.29 120.40 115.44 2qf0 s VAL 206 Ca 0.00 -1.80 -0.10 0.00 -1.81 0.00 0.00 61.98 58.27 2qf0 s VAL 206 Cb -0.15 -1.64 0.14 0.00 0.56 0.00 0.00 36.38 35.29 2qf0 s VAL 206 CO -0.10 -0.43 0.86 -0.46 -0.31 0.00 0.00 175.10 174.67 2qf0 n ASN 207 N 0.39 0.16 0.21 4.85 0.23 -0.50 -0.14 115.26 120.45 2qf0 n ASN 207 Ca -0.14 -1.37 0.15 0.00 -0.53 0.00 0.00 54.58 52.68 2qf0 n ASN 207 Cb 0.57 -0.65 0.71 0.00 -2.08 0.00 0.00 39.78 38.33 2qf0 n ASN 207 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2qf0 h SER 208 N -1.09 0.00 0.02 0.53 4.64 -1.90 -1.55 113.55 114.21 2qf0 h SER 208 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2qf0 h SER 208 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2qf0 h SER 208 CO 0.21 0.00 -0.07 0.18 -0.87 0.00 0.00 176.83 176.28 2qf0 n LEU 209 N -2.53 1.79 0.00 5.97 4.77 -1.26 -4.03 117.00 121.71 2qf0 n LEU 209 Ca -0.01 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 2qf0 n LEU 209 Cb 0.13 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2qf0 n LEU 209 CO 0.17 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2qf0 n GLY 210 N 1.25 1.01 3.75 -0.72 0.00 -0.58 -4.77 105.19 105.13 2qf0 n GLY 210 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2qf0 n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qf0 s GLU 211 N -0.46 4.59 0.96 1.61 2.02 -1.26 -4.34 118.70 121.82 2qf0 s GLU 211 Ca 0.00 1.82 -0.11 0.00 0.02 0.00 0.00 54.97 56.70 2qf0 s GLU 211 Cb 0.00 -3.21 0.17 0.00 0.10 0.00 0.00 34.13 31.18 2qf0 s GLU 211 CO 0.00 0.11 1.09 -1.17 0.02 0.00 0.00 175.26 175.30 2qf0 s LEU 212 N -0.99 2.07 0.79 1.80 2.96 -0.81 -1.41 118.68 123.10 2qf0 s LEU 212 Ca 0.47 1.65 -0.04 0.00 -0.22 0.00 0.00 54.13 55.99 2qf0 s LEU 212 Cb -0.32 -3.95 0.16 0.00 0.50 0.00 0.00 46.19 42.58 2qf0 s LEU 212 CO 0.39 -3.08 1.09 -0.83 -1.32 0.00 0.00 176.35 172.60 2qf0 s GLY 214 N -3.06 1.76 -0.22 7.98 0.00 -0.97 -4.77 107.32 108.04 2qf0 s GLY 214 Ca 0.65 -1.71 -0.05 0.00 0.00 0.00 0.00 44.72 43.61 2qf0 s GLY 214 CO 0.59 -1.05 0.01 -0.42 0.00 0.00 0.00 173.10 172.22 2qf0 s ILE 215 N -3.34 3.87 0.47 0.90 -1.09 0.27 -1.47 121.20 120.81 2qf0 s ILE 215 Ca 0.69 -0.33 -0.24 0.00 -2.23 0.00 0.00 60.65 58.54 2qf0 s ILE 215 Cb -0.04 -2.77 -0.07 0.00 -1.58 0.00 0.00 42.46 37.99 2qf0 s ILE 215 CO 0.47 0.40 1.31 0.20 -1.23 0.00 0.00 174.94 176.08 2qf0 s ASN 216 N 1.35 5.90 0.00 3.58 0.01 -0.52 -0.84 114.94 124.42 2qf0 s ASN 216 Ca 0.04 2.65 0.00 0.00 -0.71 0.00 0.00 52.86 54.85 2qf0 s ASN 216 Cb -0.15 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 38.88 2qf0 s ASN 216 CO 0.01 -1.13 0.00 0.41 -1.51 0.00 0.00 177.10 174.87 2qf0 n THR 217 N -0.41 0.00 -3.24 1.60 -1.04 -0.98 0.25 114.28 110.47 2qf0 n THR 217 Ca 0.07 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.89 2qf0 n THR 217 Cb 0.45 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.95 2qf0 n THR 217 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2qf0 s LEU 218 N 0.00 3.56 0.04 -4.42 1.43 -1.26 -3.85 118.68 114.18 2qf0 s LEU 218 Ca 0.00 -0.55 0.09 0.00 -1.03 0.00 0.00 54.13 52.64 2qf0 s LEU 218 Cb 0.00 -2.42 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 2qf0 s LEU 218 CO 0.00 -0.71 -0.26 -0.94 0.23 0.00 0.00 176.35 174.67 2qf0 s SER 219 N -4.26 3.23 0.43 2.29 1.04 -1.26 -3.51 113.70 111.66 2qf0 s SER 219 Ca 0.52 -0.57 -0.21 0.00 0.48 0.00 0.00 55.95 56.17 2qf0 s SER 219 Cb -0.07 -0.32 -0.14 0.00 0.10 0.00 0.00 66.02 65.59 2qf0 s SER 219 CO 0.31 0.26 0.30 0.33 0.98 0.00 0.00 173.24 175.42 2qf0 n PHE 220 N 1.77 -1.36 -1.49 5.02 7.35 -1.12 -4.95 117.46 122.67 2qf0 n PHE 220 Ca -0.17 0.60 0.00 0.00 -0.76 0.00 0.00 57.45 57.12 2qf0 n PHE 220 Cb 0.52 -1.88 0.00 0.00 0.35 0.00 0.00 39.48 38.47 2qf0 n PHE 220 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2qf0 n ASP 221 N 1.77 0.00 -4.89 -2.13 8.00 -1.26 -4.68 116.55 113.35 2qf0 n ASP 221 Ca 0.11 -1.16 -0.31 0.00 0.71 0.00 0.00 54.79 54.14 2qf0 n ASP 221 Cb 0.41 -0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 41.42 2qf0 n ASP 221 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2qf0 s LYS 222 N 0.00 3.69 0.00 -1.24 2.20 -1.26 -4.74 119.74 118.40 2qf0 s LYS 222 Ca 0.00 0.06 -0.04 0.00 -0.36 0.00 0.00 55.97 55.63 2qf0 s LYS 222 Cb 0.00 -2.75 -0.18 0.00 -1.51 0.00 0.00 37.83 33.39 2qf0 s LYS 222 CO 0.00 0.39 2.59 0.41 -0.36 0.00 0.00 175.35 178.38 2qf0 n GLY 226 N -0.07 2.34 3.79 5.54 0.00 -1.26 -4.60 105.19 110.94 2qf0 n GLY 226 Ca -0.01 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 2qf0 n GLY 226 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qf0 s GLU 227 N 1.62 3.14 -0.68 1.61 8.01 -1.26 -5.00 118.70 126.14 2qf0 s GLU 227 Ca 0.44 1.24 -0.12 0.00 0.01 0.00 0.00 54.97 56.54 2qf0 s GLU 227 Cb 0.21 -2.01 0.18 0.00 -4.31 0.00 0.00 34.13 28.20 2qf0 s GLU 227 CO 0.00 -0.96 0.60 -0.08 0.01 0.00 0.00 175.26 174.83 2qf0 s THR 228 N -2.46 5.06 0.32 3.63 -1.32 -1.26 -4.89 115.64 114.72 2qf0 s THR 228 Ca 0.64 -2.22 -0.29 0.00 -1.21 0.00 0.00 61.69 58.61 2qf0 s THR 228 Cb -0.17 -4.20 -0.12 0.00 -1.51 0.00 0.00 72.50 66.50 2qf0 s THR 228 CO 0.39 -0.94 1.50 -0.81 -2.21 0.00 0.00 174.62 172.56 2qf0 n PRO 229 N 4.33 2.52 -5.09 7.08 -0.04 -1.26 -5.02 135.00 137.53 2qf0 n PRO 229 Ca 0.03 0.89 -0.32 0.00 -0.04 0.00 0.00 63.50 64.07 2qf0 n PRO 229 Cb 0.43 -2.62 -0.15 0.00 -0.04 0.00 0.00 33.50 31.12 2qf0 n PRO 229 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2qf0 s GLU 230 N -1.13 2.78 -1.34 0.54 2.12 -1.26 -4.74 118.70 115.67 2qf0 s GLU 230 Ca 0.60 -0.82 -0.04 0.00 0.36 0.00 0.00 54.97 55.07 2qf0 s GLU 230 Cb -0.52 -2.32 0.00 0.00 0.26 0.00 0.00 34.13 31.56 2qf0 s GLU 230 CO 0.55 0.37 0.55 0.41 -0.54 0.00 0.00 175.26 176.59 2qf0 n GLY 231 N 3.02 -0.35 2.91 -1.50 0.00 -1.26 -5.00 105.19 103.01 2qf0 n GLY 231 Ca -0.18 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2qf0 n GLY 231 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qf0 s ILE 232 N -3.10 1.62 0.11 -0.61 1.01 -1.26 -3.90 121.20 115.07 2qf0 s ILE 232 Ca 0.27 -1.67 0.05 0.00 0.00 0.00 0.00 60.65 59.30 2qf0 s ILE 232 Cb -0.12 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 2qf0 s ILE 232 CO 0.34 -0.44 -0.12 -0.83 0.00 0.00 0.00 174.94 173.89 2qf0 s GLY 233 N 1.28 0.98 0.26 6.18 0.00 0.30 -2.81 107.32 113.52 2qf0 s GLY 233 Ca 0.04 -1.25 0.11 0.00 0.00 0.00 0.00 44.72 43.63 2qf0 s GLY 233 CO -0.12 -1.31 -0.16 -1.36 0.00 0.00 0.00 173.10 170.15 2qf0 s PHE 234 N -2.26 2.39 -0.17 1.90 0.08 -1.23 -0.20 117.98 118.50 2qf0 s PHE 234 Ca 0.07 -0.31 -0.22 0.00 0.12 0.00 0.00 56.93 56.60 2qf0 s PHE 234 Cb -0.04 -1.06 0.06 0.00 -0.57 0.00 0.00 43.02 41.40 2qf0 s PHE 234 CO 0.02 0.67 0.57 0.00 -0.10 0.00 0.00 175.22 176.38 2qf0 s ALA 235 N -2.35 -1.43 -0.03 5.36 0.00 0.10 -2.32 121.76 121.09 2qf0 s ALA 235 Ca 0.29 1.44 -0.30 0.00 0.00 0.00 0.00 51.96 53.40 2qf0 s ALA 235 Cb -0.06 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 2qf0 s ALA 235 CO 0.15 -0.29 0.99 0.42 0.00 0.00 0.00 175.76 177.04 2qf0 s ILE 236 N -0.14 4.82 0.33 0.00 -1.09 -0.02 -1.17 121.20 123.94 2qf0 s ILE 236 Ca -0.03 2.04 -0.28 0.00 -2.23 0.00 0.00 60.65 60.14 2qf0 s ILE 236 Cb -0.03 -4.31 -0.13 0.00 -1.58 0.00 0.00 42.46 36.41 2qf0 s ILE 236 CO 0.03 0.12 1.19 -2.65 -1.23 0.00 0.00 174.94 172.40 2qf0 n PRO 237 N 4.19 1.85 0.14 2.79 -0.02 -1.26 -0.56 135.00 142.13 2qf0 n PRO 237 Ca 0.07 0.65 0.03 0.00 -2.02 0.00 0.00 63.50 62.23 2qf0 n PRO 237 Cb 0.50 -2.16 0.43 0.00 -0.02 0.00 0.00 33.50 32.26 2qf0 n PRO 237 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2qf0 h PHE 238 N 2.34 0.19 0.04 6.00 -5.15 -1.89 -1.59 116.94 116.87 2qf0 h PHE 238 Ca -0.44 -0.02 -0.00 0.00 -0.20 0.00 0.00 57.97 57.31 2qf0 h PHE 238 Cb 1.30 -0.06 0.00 0.00 0.22 0.00 0.00 35.95 37.42 2qf0 h PHE 238 CO 0.49 0.30 -0.02 1.96 -2.00 0.00 0.00 178.31 179.04 2qf0 h GLN 239 N 0.18 -0.06 -0.88 6.09 7.50 -1.94 -1.53 115.11 124.47 2qf0 h GLN 239 Ca 0.04 0.00 0.05 0.00 0.50 0.00 0.00 58.65 59.24 2qf0 h GLN 239 Cb 0.32 0.01 -0.06 0.00 0.05 0.00 0.00 27.48 27.80 2qf0 h GLN 239 CO 0.02 0.11 0.56 1.25 -1.50 0.00 0.00 178.83 179.26 2qf0 h LEU 240 N -0.21 0.90 -1.08 1.46 6.46 -1.86 -2.03 115.31 118.97 2qf0 h LEU 240 Ca -0.01 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 2qf0 h LEU 240 Cb 0.19 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.90 2qf0 h LEU 240 CO 0.01 0.60 0.24 0.00 -0.62 0.00 0.00 178.44 178.67 2qf0 h ALA 241 N 1.39 1.27 -0.39 1.25 0.00 -1.00 -1.03 119.26 120.75 2qf0 h ALA 241 Ca 0.37 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 2qf0 h ALA 241 Cb 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2qf0 h ALA 241 CO -0.15 0.54 -0.18 1.15 0.00 0.00 0.00 179.25 180.61 2qf0 h THR 242 N 0.88 1.28 -0.22 0.00 2.02 -0.60 -3.13 112.91 113.15 2qf0 h THR 242 Ca 0.21 -1.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.07 2qf0 h THR 242 Cb 0.18 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 2qf0 h THR 242 CO -0.02 0.44 0.09 0.11 0.37 0.00 0.00 175.52 176.51 2qf0 h LYS 243 N 0.62 0.32 -1.29 6.66 1.57 -1.13 -2.03 116.57 121.29 2qf0 h LYS 243 Ca 0.09 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2qf0 h LYS 243 Cb 0.73 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2qf0 h LYS 243 CO 0.06 0.35 0.00 -0.89 -0.57 0.00 0.00 179.45 178.40 2qf0 n ILE 244 N -4.83 0.20 0.00 1.86 2.08 -0.42 -2.19 119.36 116.06 2qf0 n ILE 244 Ca -0.03 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.28 2qf0 n ILE 244 Cb 0.11 -0.49 0.00 0.00 -0.75 0.00 0.00 39.64 38.51 2qf0 n ILE 244 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2qf0 n ASP 246 N 0.71 0.00 0.01 4.38 8.00 -0.76 -2.39 116.55 126.50 2qf0 n ASP 246 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.31 2qf0 n ASP 246 Cb 0.12 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.13 2qf0 n ASP 246 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2qf0 h LYS 247 N 0.00 0.75 0.00 -1.24 3.64 -1.69 -1.59 116.57 116.44 2qf0 h LYS 247 Ca 0.00 -0.71 -0.01 0.00 -1.27 0.00 0.00 60.65 58.66 2qf0 h LYS 247 Cb 0.00 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2qf0 h LYS 247 CO 0.00 1.29 -0.05 -0.07 -2.27 0.00 0.00 179.45 178.35 2qf0 h LEU 248 N 0.46 0.00 0.03 5.20 3.38 -1.74 -0.65 115.31 122.00 2qf0 h LEU 248 Ca -0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2qf0 h LEU 248 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 2qf0 h LEU 248 CO 0.18 0.05 -0.01 0.40 0.09 0.00 0.00 178.44 179.15 2qf0 h ILE 249 N 0.00 1.09 0.47 1.22 2.04 -1.81 -3.39 117.51 117.13 2qf0 h ILE 249 Ca -0.00 -1.70 -0.02 0.00 1.00 0.00 0.00 64.86 64.14 2qf0 h ILE 249 Cb 0.59 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 2qf0 h ILE 249 CO 0.01 0.35 -0.24 0.03 0.00 0.00 0.00 178.15 178.30 2qf0 h ARG 250 N -0.96 -0.62 0.00 2.37 3.08 -1.22 -3.45 114.38 113.58 2qf0 h ARG 250 Ca -0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2qf0 h ARG 250 Cb 0.61 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2qf0 h ARG 250 CO 0.01 -0.42 0.00 -0.25 -1.07 0.00 0.00 179.97 178.24 2qf0 n ASP 251 N -3.77 0.00 -0.12 7.04 8.00 -0.26 -5.10 116.55 122.34 2qf0 n ASP 251 Ca -0.08 -0.29 0.16 0.00 0.71 0.00 0.00 54.79 55.29 2qf0 n ASP 251 Cb 0.26 0.00 0.85 0.00 -0.02 0.00 0.00 41.12 42.20 2qf0 n ASP 251 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42