#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qf0 n THR 40 N 0.00 0.00 0.49 0.44 -2.24 -1.26 -4.03 114.28 107.68 2qf0 n THR 40 Ca 0.00 -0.02 0.11 0.00 -2.27 0.00 0.00 64.05 61.87 2qf0 n THR 40 Cb 0.00 0.43 0.02 0.00 -2.10 0.00 0.00 70.33 68.68 2qf0 n THR 40 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2qf0 n ASP 41 N -1.38 0.61 -4.63 3.42 8.00 -1.26 -4.93 116.55 116.38 2qf0 n ASP 41 Ca 0.06 -0.12 -0.30 0.00 0.71 0.00 0.00 54.79 55.13 2qf0 n ASP 41 Cb 0.34 0.79 0.19 0.00 -0.02 0.00 0.00 41.12 42.41 2qf0 n ASP 41 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2qf0 s GLU 42 N -3.23 0.53 -0.11 -1.24 2.02 -1.26 -5.02 118.70 110.39 2qf0 s GLU 42 Ca 0.03 1.38 0.02 0.00 0.02 0.00 0.00 54.97 56.42 2qf0 s GLU 42 Cb 0.14 -1.68 -0.01 0.00 0.10 0.00 0.00 34.13 32.68 2qf0 s GLU 42 CO 0.80 -2.91 -0.19 -0.08 0.02 0.00 0.00 175.26 172.90 2qf0 s THR 43 N -2.60 2.48 0.26 3.63 -1.32 -1.26 -5.05 115.64 111.77 2qf0 s THR 43 Ca 0.67 -0.87 -0.29 0.00 -1.21 0.00 0.00 61.69 59.99 2qf0 s THR 43 Cb -0.23 -1.99 -0.09 0.00 -1.51 0.00 0.00 72.50 68.67 2qf0 s THR 43 CO 0.60 0.55 1.23 -2.84 -2.21 0.00 0.00 174.62 171.95 2qf0 s PRO 44 N 0.34 4.46 0.31 7.08 0.02 -1.26 -4.99 135.00 140.96 2qf0 s PRO 44 Ca -0.16 2.01 -0.30 0.00 0.02 0.00 0.00 61.00 62.58 2qf0 s PRO 44 Cb -0.17 -3.16 -0.12 0.00 0.02 0.00 0.00 34.50 31.07 2qf0 s PRO 44 CO 0.08 -0.08 1.54 0.00 -0.33 0.00 0.00 177.00 178.21 2qf0 n ALA 45 N 1.62 2.31 -3.49 -1.55 0.00 -1.26 -4.97 120.51 113.17 2qf0 n ALA 45 Ca 0.02 0.37 -0.14 0.00 0.00 0.00 0.00 53.44 53.68 2qf0 n ALA 45 Cb 0.43 -2.43 -0.04 0.00 0.00 0.00 0.00 19.45 17.41 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 0.32 -0.58 -0.18 0.00 0.15 -1.26 -5.01 113.70 107.14 2qf0 s SER 46 Ca 0.62 0.39 0.15 0.00 0.70 0.00 0.00 55.95 57.80 2qf0 s SER 46 Cb -0.51 0.53 0.39 0.00 -1.71 0.00 0.00 66.02 64.71 2qf0 s SER 46 CO 0.52 -0.71 1.24 -1.22 1.20 0.00 0.00 173.24 174.27 2qf0 n TYR 47 N 0.36 0.20 0.04 3.44 4.02 -1.26 -4.72 117.16 119.25 2qf0 n TYR 47 Ca -0.17 -1.25 0.07 0.00 -0.01 0.00 0.00 57.90 56.53 2qf0 n TYR 47 Cb 0.60 -0.24 0.49 0.00 -0.02 0.00 0.00 39.34 40.17 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 0.66 0.34 -0.98 7.72 -0.73 -1.97 -2.17 115.58 118.44 2qf0 h ASN 48 Ca 0.02 -0.01 0.05 0.00 1.87 0.00 0.00 56.30 58.24 2qf0 h ASN 48 Cb 1.11 -0.08 -0.06 0.00 0.27 0.00 0.00 38.32 39.56 2qf0 h ASN 48 CO 0.06 0.24 0.64 0.25 -0.37 0.00 0.00 177.43 178.25 2qf0 h LEU 49 N 0.40 1.04 -0.89 0.34 5.85 -1.92 0.55 115.31 120.67 2qf0 h LEU 49 Ca 0.14 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2qf0 h LEU 49 Cb 0.07 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 2qf0 h LEU 49 CO -0.03 0.68 -0.04 0.00 -0.34 0.00 0.00 178.44 178.71 2qf0 h ALA 50 N 1.45 0.99 0.06 1.25 0.00 -1.59 -2.82 119.26 118.59 2qf0 h ALA 50 Ca 0.41 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.18 2qf0 h ALA 50 Cb 0.10 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2qf0 h ALA 50 CO -0.15 0.05 -0.43 0.28 0.00 0.00 0.00 179.25 179.01 2qf0 h VAL 51 N 0.00 1.60 -0.45 0.00 2.07 -0.83 -2.74 116.25 115.90 2qf0 h VAL 51 Ca -0.00 -2.31 -0.08 0.00 0.82 0.00 0.00 66.70 65.13 2qf0 h VAL 51 Cb 0.73 3.11 -0.02 0.00 -1.52 0.00 0.00 31.29 33.59 2qf0 h VAL 51 CO 0.01 0.63 -0.05 0.03 0.02 0.00 0.00 177.57 178.21 2qf0 h ARG 52 N -0.57 0.77 -0.23 1.57 3.08 -1.13 0.15 114.38 118.02 2qf0 h ARG 52 Ca -0.07 -0.23 -0.17 0.00 0.07 0.00 0.00 59.98 59.59 2qf0 h ARG 52 Cb 1.28 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 2qf0 h ARG 52 CO 0.08 0.81 -0.53 0.00 -1.07 0.00 0.00 179.97 179.26 2qf0 h ARG 53 N 0.71 0.69 0.00 0.04 3.08 -1.61 -3.40 114.38 113.89 2qf0 h ARG 53 Ca 0.13 -0.43 -0.19 0.00 0.07 0.00 0.00 59.98 59.57 2qf0 h ARG 53 Cb 0.50 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 2qf0 h ARG 53 CO 0.03 1.05 -1.70 0.00 -1.07 0.00 0.00 179.97 178.27 2qf0 n ALA 54 N -2.54 1.74 -0.19 0.04 0.00 -1.03 -4.47 120.51 114.05 2qf0 n ALA 54 Ca -0.03 -0.63 -0.02 0.00 0.00 0.00 0.00 53.44 52.75 2qf0 n ALA 54 Cb 0.61 0.08 0.05 0.00 0.00 0.00 0.00 19.45 20.19 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 0.36 0.34 -0.30 0.00 0.00 -0.87 -1.62 119.26 117.18 2qf0 h ALA 55 Ca -0.28 0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.94 2qf0 h ALA 55 Cb 1.57 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 19.84 2qf0 h ALA 55 CO -0.00 -0.46 0.54 -1.35 0.00 0.00 0.00 179.25 177.99 2qf0 h PRO 56 N -0.03 0.00 0.00 0.00 0.11 -1.80 -0.42 132.00 129.87 2qf0 h PRO 56 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 2qf0 h PRO 56 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 2qf0 h PRO 56 CO -0.62 0.00 -0.89 0.00 -0.21 0.00 0.00 178.00 176.28 2qf0 n ALA 57 N -2.09 3.50 -2.26 -0.75 0.00 -0.61 -4.66 120.51 113.64 2qf0 n ALA 57 Ca 0.05 -0.40 -0.39 0.00 0.00 0.00 0.00 53.44 52.71 2qf0 n ALA 57 Cb 0.67 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.06 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 -3.14 4.72 0.19 0.00 1.01 -0.17 -1.70 120.40 121.31 2qf0 s VAL 58 Ca 0.06 1.24 0.05 0.00 0.00 0.00 0.00 61.98 63.33 2qf0 s VAL 58 Cb 0.15 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 2qf0 s VAL 58 CO 0.78 0.55 -0.08 0.68 0.00 0.00 0.00 175.10 177.04 2qf0 s VAL 59 N -1.10 1.27 -0.09 2.92 -7.23 0.20 -4.56 120.40 111.81 2qf0 s VAL 59 Ca 0.29 -2.09 -0.25 0.00 -1.81 0.00 0.00 61.98 58.13 2qf0 s VAL 59 Cb -0.20 -2.07 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 2qf0 s VAL 59 CO 0.19 -0.57 0.79 0.20 -0.31 0.00 0.00 175.10 175.41 2qf0 s ASN 60 N -3.25 7.04 -0.24 4.85 0.01 -0.81 -0.36 114.94 122.18 2qf0 s ASN 60 Ca 0.22 1.26 -0.03 0.00 -0.71 0.00 0.00 52.86 53.60 2qf0 s ASN 60 Cb 0.03 -2.45 0.01 0.00 0.41 0.00 0.00 41.25 39.25 2qf0 s ASN 60 CO 0.05 -0.24 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.66 2qf0 s VAL 61 N 1.30 3.08 -0.14 1.60 1.01 0.15 -0.98 120.40 126.42 2qf0 s VAL 61 Ca 0.40 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 2qf0 s VAL 61 Cb -0.18 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 2qf0 s VAL 61 CO 0.18 0.27 -0.09 -0.31 0.00 0.00 0.00 175.10 175.15 2qf0 s TYR 62 N 1.38 2.91 -0.99 5.22 1.51 0.16 -0.98 117.35 126.57 2qf0 s TYR 62 Ca 0.02 -0.50 -0.13 0.00 -1.01 0.00 0.00 57.07 55.46 2qf0 s TYR 62 Cb -0.16 -1.90 0.22 0.00 -0.11 0.00 0.00 41.96 40.01 2qf0 s TYR 62 CO -0.04 -0.14 1.02 1.21 -1.11 0.00 0.00 175.55 176.49 2qf0 s ASN 63 N 0.39 6.99 -0.54 2.29 3.84 -0.39 -0.98 114.94 126.53 2qf0 s ASN 63 Ca -0.07 -2.98 -0.26 0.00 0.21 0.00 0.00 52.86 49.76 2qf0 s ASN 63 Cb -0.15 -2.26 0.03 0.00 -0.55 0.00 0.00 41.25 38.33 2qf0 s ASN 63 CO 0.04 -0.55 1.03 -0.13 -2.79 0.00 0.00 177.10 174.70 2qf0 s ARG 64 N 0.13 3.44 -0.02 0.43 0.52 -0.60 -0.30 118.95 122.56 2qf0 s ARG 64 Ca 0.27 0.01 0.16 0.00 -0.52 0.00 0.00 55.73 55.65 2qf0 s ARG 64 Cb -0.08 -4.02 -0.23 0.00 0.52 0.00 0.00 34.95 31.14 2qf0 s ARG 64 CO -0.08 -1.51 0.45 0.41 0.02 0.00 0.00 175.30 174.59 2qf0 n GLY 65 N 5.06 -0.66 3.62 -3.53 0.00 -1.26 -2.27 105.19 106.15 2qf0 n GLY 65 Ca 0.05 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 2qf0 n GLY 65 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qf0 s ILE 76 N -2.93 4.07 0.00 -0.61 2.07 -1.26 -4.90 121.20 117.64 2qf0 s ILE 76 Ca -0.02 1.18 0.00 0.00 -1.41 0.00 0.00 60.65 60.39 2qf0 s ILE 76 Cb 0.11 -4.15 0.00 0.00 0.13 0.00 0.00 42.46 38.54 2qf0 s ILE 76 CO 0.66 -0.54 0.00 0.54 -1.91 0.00 0.00 174.94 173.69 2qf0 n ARG 77 N 7.51 0.00 -2.83 3.50 1.74 0.59 -5.04 116.66 122.13 2qf0 n ARG 77 Ca 0.15 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.96 2qf0 n ARG 77 Cb 0.47 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.90 2qf0 n ARG 77 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2qf0 s THR 78 N 0.00 4.94 0.07 0.55 2.01 -1.21 -4.93 115.64 117.07 2qf0 s THR 78 Ca 0.00 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.16 2qf0 s THR 78 Cb 0.00 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.64 2qf0 s THR 78 CO 0.00 -0.73 -0.10 -0.22 -0.69 0.00 0.00 174.62 172.88 2qf0 s LEU 79 N -4.50 2.33 0.00 4.42 2.96 -1.26 -1.27 118.68 121.37 2qf0 s LEU 79 Ca 0.46 -0.69 -0.07 0.00 -0.22 0.00 0.00 54.13 53.62 2qf0 s LEU 79 Cb -0.10 -0.30 0.02 0.00 0.50 0.00 0.00 46.19 46.31 2qf0 s LEU 79 CO 0.41 -0.20 0.31 0.61 -1.32 0.00 0.00 176.35 176.16 2qf0 n GLY 80 N 1.01 0.70 3.63 7.98 0.00 -0.15 -4.46 105.19 113.89 2qf0 n GLY 80 Ca -0.19 -0.91 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.71 3.80 0.04 1.61 0.01 0.15 0.31 113.70 117.90 2qf0 s SER 81 Ca 0.07 -1.42 -0.16 0.00 1.31 0.00 0.00 55.95 55.76 2qf0 s SER 81 Cb -0.00 -0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.04 2qf0 s SER 81 CO 0.00 -0.53 0.35 -0.83 0.41 0.00 0.00 173.24 172.64 2qf0 s GLY 82 N -3.72 -0.19 -0.18 3.44 0.00 0.52 -4.00 107.32 103.19 2qf0 s GLY 82 Ca 0.30 0.16 -0.00 0.00 0.00 0.00 0.00 44.72 45.17 2qf0 s GLY 82 CO 0.15 -0.08 -0.15 0.14 0.00 0.00 0.00 173.10 173.17 2qf0 s VAL 83 N -2.43 2.57 0.41 1.40 1.01 0.12 0.61 120.40 124.09 2qf0 s VAL 83 Ca -0.06 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 60.92 2qf0 s VAL 83 Cb -0.01 -2.10 -0.11 0.00 0.00 0.00 0.00 36.38 34.16 2qf0 s VAL 83 CO -0.02 0.50 0.96 -0.63 0.00 0.00 0.00 175.10 175.91 2qf0 s ILE 84 N 1.16 4.29 0.41 2.22 1.01 -0.69 -0.22 121.20 129.38 2qf0 s ILE 84 Ca 0.01 1.54 -0.14 0.00 0.00 0.00 0.00 60.65 62.06 2qf0 s ILE 84 Cb -0.14 -3.69 -0.12 0.00 0.01 0.00 0.00 42.46 38.52 2qf0 s ILE 84 CO -0.06 -0.20 -0.13 0.47 0.00 0.00 0.00 174.94 175.02 2qf0 n ASP 86 N -0.37 -2.96 0.00 3.58 10.43 -1.25 -2.13 116.55 123.86 2qf0 n ASP 86 Ca 0.06 0.49 0.10 0.00 2.57 0.00 0.00 54.79 58.00 2qf0 n ASP 86 Cb 0.53 -0.66 0.57 0.00 1.84 0.00 0.00 41.12 43.40 2qf0 n ASP 86 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qf0 n GLN 87 N 1.22 0.59 0.00 -1.24 6.02 -1.26 -2.14 117.38 120.57 2qf0 n GLN 87 Ca 0.06 0.01 0.02 0.00 -0.01 0.00 0.00 57.00 57.07 2qf0 n GLN 87 Cb 0.37 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 30.23 2qf0 n GLN 87 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2qf0 n ARG 88 N -1.02 0.06 -0.45 -1.09 0.63 -1.26 -4.74 116.66 108.80 2qf0 n ARG 88 Ca 0.14 0.21 0.00 0.00 -0.92 0.00 0.00 57.85 57.28 2qf0 n ARG 88 Cb 0.07 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.48 2qf0 n ARG 88 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qf0 n GLY 89 N -0.93 0.76 3.76 5.14 0.00 -0.91 -4.82 105.19 108.19 2qf0 n GLY 89 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.25 3.78 0.03 1.61 4.12 -1.19 -2.15 117.35 121.31 2qf0 s TYR 90 Ca 0.00 1.47 0.05 0.00 0.02 0.00 0.00 57.07 58.61 2qf0 s TYR 90 Cb 0.00 -2.76 -0.02 0.00 -1.52 0.00 0.00 41.96 37.66 2qf0 s TYR 90 CO 0.00 0.36 -0.14 0.42 0.02 0.00 0.00 175.55 176.21 2qf0 s ILE 91 N -0.40 1.13 0.06 2.71 1.01 -0.05 -3.86 121.20 121.79 2qf0 s ILE 91 Ca 0.36 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 60.09 2qf0 s ILE 91 Cb -0.21 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 2qf0 s ILE 91 CO 0.23 0.05 0.03 -0.63 0.00 0.00 0.00 174.94 174.62 2qf0 s ILE 92 N -0.78 4.25 0.00 2.92 1.01 0.69 -0.36 121.20 128.93 2qf0 s ILE 92 Ca 0.02 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.88 2qf0 s ILE 92 Cb -0.08 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.40 2qf0 s ILE 92 CO 0.01 0.20 0.00 1.07 0.00 0.00 0.00 174.94 176.22 2qf0 n THR 93 N 0.77 0.00 -3.60 2.92 5.66 -0.65 -0.70 114.28 118.68 2qf0 n THR 93 Ca -0.11 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.66 2qf0 n THR 93 Cb 0.52 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.28 2qf0 n THR 93 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2qf0 s ASN 94 N -0.82 6.31 -0.00 1.09 0.02 -1.26 -1.19 114.94 119.09 2qf0 s ASN 94 Ca 0.00 0.32 -0.23 0.00 -1.02 0.00 0.00 52.86 51.92 2qf0 s ASN 94 Cb 0.00 -1.97 -0.14 0.00 0.02 0.00 0.00 41.25 39.16 2qf0 s ASN 94 CO 0.00 -0.21 1.01 0.50 0.02 0.00 0.00 177.10 178.43 2qf0 h LYS 95 N 0.95 -0.68 0.00 -0.60 3.64 -1.54 -3.09 116.57 115.25 2qf0 h LYS 95 Ca -0.50 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2qf0 h LYS 95 Cb 1.22 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 2qf0 h LYS 95 CO 0.61 -0.39 0.31 1.12 -2.27 0.00 0.00 179.45 178.83 2qf0 h HIS 96 N -1.10 0.00 0.04 1.91 2.07 -1.93 0.55 115.15 116.69 2qf0 h HIS 96 Ca -0.07 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.30 2qf0 h HIS 96 Cb 0.60 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.59 2qf0 h HIS 96 CO 0.01 0.00 -0.59 0.28 -3.07 0.00 0.00 177.93 174.56 2qf0 h VAL 97 N 0.00 1.49 -0.01 6.12 2.07 -1.91 -3.34 116.25 120.68 2qf0 h VAL 97 Ca 0.00 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.31 2qf0 h VAL 97 Cb 0.61 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 2qf0 h VAL 97 CO 0.00 0.63 -0.60 2.30 0.02 0.00 0.00 177.57 179.92 2qf0 n ILE 98 N -4.25 0.00 -1.69 4.57 -6.64 -0.54 -4.52 119.36 106.28 2qf0 n ILE 98 Ca -0.11 -0.20 -0.44 0.00 -1.77 0.00 0.00 62.75 60.23 2qf0 n ILE 98 Cb 0.68 1.19 -0.04 0.00 -1.44 0.00 0.00 39.64 40.04 2qf0 n ILE 98 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 2qf0 n ASN 99 N -0.39 3.57 -2.97 7.28 5.15 0.18 -3.53 115.26 124.54 2qf0 n ASN 99 Ca 0.08 1.06 -0.06 0.00 -0.60 0.00 0.00 54.58 55.07 2qf0 n ASN 99 Cb 0.43 -1.50 0.01 0.00 -0.53 0.00 0.00 39.78 38.18 2qf0 n ASN 99 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2qf0 n ASP 100 N 3.87 -7.79 -3.96 1.20 9.92 -1.26 -4.96 116.55 113.56 2qf0 n ASP 100 Ca 0.17 0.24 -0.17 0.00 -0.53 0.00 0.00 54.79 54.51 2qf0 n ASP 100 Cb 0.32 -5.22 -0.15 0.00 -0.64 0.00 0.00 41.12 35.43 2qf0 n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2qf0 s ALA 101 N -2.75 0.50 -2.14 2.24 0.00 -1.23 -4.86 121.76 113.50 2qf0 s ALA 101 Ca 0.14 -0.24 0.26 0.00 0.00 0.00 0.00 51.96 52.12 2qf0 s ALA 101 Cb -0.04 -0.14 0.56 0.00 0.00 0.00 0.00 23.12 23.50 2qf0 s ALA 101 CO 0.77 0.11 1.45 -0.25 0.00 0.00 0.00 175.76 177.84 2qf0 n ASP 102 N 3.01 1.62 -3.41 0.00 8.00 -1.17 -4.84 116.55 119.76 2qf0 n ASP 102 Ca -0.14 -1.32 0.02 0.00 0.71 0.00 0.00 54.79 54.07 2qf0 n ASP 102 Cb 0.57 0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 41.80 2qf0 n ASP 102 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2qf0 s GLN 103 N -2.32 0.10 -0.24 -1.24 0.74 -0.96 -4.98 119.66 110.75 2qf0 s GLN 103 Ca 0.26 0.22 -0.08 0.00 0.05 0.00 0.00 55.36 55.81 2qf0 s GLN 103 Cb 0.19 0.09 -0.03 0.00 1.10 0.00 0.00 33.01 34.36 2qf0 s GLN 103 CO 0.47 -0.03 0.09 0.42 -0.55 0.00 0.00 175.29 175.68 2qf0 s ILE 104 N 1.70 4.52 0.03 -2.34 1.01 -1.26 -1.55 121.20 123.30 2qf0 s ILE 104 Ca -0.04 -0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.54 2qf0 s ILE 104 Cb -0.02 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 2qf0 s ILE 104 CO -0.14 0.34 -0.03 -0.63 0.00 0.00 0.00 174.94 174.48 2qf0 s ILE 105 N 1.46 3.89 -0.03 2.92 -1.09 -0.15 -1.50 121.20 126.69 2qf0 s ILE 105 Ca 0.06 -0.79 0.03 0.00 -2.23 0.00 0.00 60.65 57.72 2qf0 s ILE 105 Cb -0.15 -2.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.99 2qf0 s ILE 105 CO 0.04 0.31 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.28 2qf0 s VAL 106 N -1.11 0.83 -0.04 2.92 1.01 -1.10 -0.67 120.40 122.25 2qf0 s VAL 106 Ca 0.20 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.84 2qf0 s VAL 106 Cb -0.11 -0.75 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 2qf0 s VAL 106 CO 0.11 0.26 -0.16 0.00 0.00 0.00 0.00 175.10 175.31 2qf0 s ALA 107 N 0.25 1.44 -0.16 5.51 0.00 -0.15 -1.50 121.76 127.15 2qf0 s ALA 107 Ca -0.04 -0.64 -0.08 0.00 0.00 0.00 0.00 51.96 51.20 2qf0 s ALA 107 Cb -0.10 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.49 2qf0 s ALA 107 CO 0.01 0.25 0.11 -0.51 0.00 0.00 0.00 175.76 175.62 2qf0 s LEU 108 N 0.09 4.12 0.63 0.00 1.02 -1.12 -1.91 118.68 121.51 2qf0 s LEU 108 Ca -0.04 0.27 0.22 0.00 0.02 0.00 0.00 54.13 54.60 2qf0 s LEU 108 Cb -0.11 -2.03 1.08 0.00 0.02 0.00 0.00 46.19 45.14 2qf0 s LEU 108 CO 0.02 0.27 1.58 1.56 0.02 0.00 0.00 176.35 179.80 2qf0 h GLN 109 N 5.99 0.00 -0.14 1.70 1.08 -1.83 0.33 115.11 122.24 2qf0 h GLN 109 Ca -0.45 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 56.66 2qf0 h GLN 109 Cb 1.18 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 2qf0 h GLN 109 CO 0.67 0.00 -0.31 0.38 -0.95 0.00 0.00 178.83 178.62 2qf0 h ASP 110 N 0.00 0.27 0.00 1.46 3.04 -1.93 -3.47 116.42 115.79 2qf0 h ASP 110 Ca 0.15 -0.09 0.00 0.00 -3.24 0.00 0.00 57.03 53.85 2qf0 h ASP 110 Cb 1.55 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.77 2qf0 h ASP 110 CO -0.00 0.58 0.00 0.61 -2.04 0.00 0.00 179.24 178.38 2qf0 n GLY 111 N -0.41 1.27 3.70 7.15 0.00 0.12 -5.11 105.19 111.91 2qf0 n GLY 111 Ca -0.01 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2qf0 n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qf0 s ARG 112 N 0.00 4.32 -0.19 1.61 0.52 -1.26 -4.86 118.95 119.09 2qf0 s ARG 112 Ca 0.00 1.94 -0.05 0.00 -0.52 0.00 0.00 55.73 57.09 2qf0 s ARG 112 Cb 0.00 -3.48 -0.03 0.00 0.52 0.00 0.00 34.95 31.97 2qf0 s ARG 112 CO 0.00 -0.49 0.01 0.08 0.02 0.00 0.00 175.30 174.91 2qf0 s VAL 113 N 1.94 4.13 0.36 3.52 1.01 -1.26 -2.77 120.40 127.33 2qf0 s VAL 113 Ca 0.63 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.43 2qf0 s VAL 113 Cb -0.32 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 2qf0 s VAL 113 CO 0.27 0.44 0.13 -0.36 0.00 0.00 0.00 175.10 175.59 2qf0 s PHE 114 N 0.77 2.65 -0.24 5.22 0.40 -0.56 -5.02 117.98 121.20 2qf0 s PHE 114 Ca 0.01 -0.44 -0.09 0.00 -0.60 0.00 0.00 56.93 55.80 2qf0 s PHE 114 Cb -0.14 -1.70 -0.04 0.00 0.51 0.00 0.00 43.02 41.64 2qf0 s PHE 114 CO 0.02 0.32 0.13 -2.00 0.70 0.00 0.00 175.22 174.39 2qf0 s GLU 115 N -3.84 3.95 0.03 0.44 2.56 -1.26 -2.72 118.70 117.86 2qf0 s GLU 115 Ca 0.38 -0.33 0.01 0.00 0.00 0.00 0.00 54.97 55.03 2qf0 s GLU 115 Cb -0.01 -3.47 -0.04 0.00 2.00 0.00 0.00 34.13 32.62 2qf0 s GLU 115 CO 0.22 -0.00 0.09 0.00 -0.56 0.00 0.00 175.26 175.01 2qf0 s ALA 116 N 1.20 3.62 -0.09 6.30 0.00 -0.56 -4.66 121.76 127.57 2qf0 s ALA 116 Ca 0.06 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.15 2qf0 s ALA 116 Cb -0.14 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.42 2qf0 s ALA 116 CO 0.05 0.73 -0.23 -0.51 0.00 0.00 0.00 175.76 175.80 2qf0 s LEU 117 N -2.05 2.03 0.41 0.00 1.02 -1.09 -4.29 118.68 114.72 2qf0 s LEU 117 Ca 0.26 -0.52 -0.25 0.00 0.02 0.00 0.00 54.13 53.64 2qf0 s LEU 117 Cb -0.12 -1.33 -0.08 0.00 0.02 0.00 0.00 46.19 44.68 2qf0 s LEU 117 CO 0.18 0.16 1.22 -0.22 0.02 0.00 0.00 176.35 177.71 2qf0 s LEU 118 N 0.31 4.17 0.00 1.79 0.20 -1.26 -1.96 118.68 121.93 2qf0 s LEU 118 Ca -0.16 2.47 0.00 0.00 0.69 0.00 0.00 54.13 57.13 2qf0 s LEU 118 Cb -0.17 -4.01 0.00 0.00 -0.43 0.00 0.00 46.19 41.58 2qf0 s LEU 118 CO 0.08 -0.80 0.00 0.52 -0.29 0.00 0.00 176.35 175.86 2qf0 n VAL 119 N -0.00 0.00 -4.25 1.68 0.31 -0.07 -4.92 118.33 111.07 2qf0 n VAL 119 Ca 0.05 0.03 -0.16 0.00 -0.01 0.00 0.00 64.34 64.24 2qf0 n VAL 119 Cb 0.45 -0.84 -0.09 0.00 -0.91 0.00 0.00 33.84 32.46 2qf0 n VAL 119 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2qf0 s GLY 120 N -1.59 1.94 -0.30 2.92 0.00 -1.25 -4.96 107.32 104.09 2qf0 s GLY 120 Ca 0.00 -1.91 -0.17 0.00 0.00 0.00 0.00 44.72 42.64 2qf0 s GLY 120 CO 0.00 -1.44 1.20 -1.35 0.00 0.00 0.00 173.10 171.51 2qf0 s SER 121 N -3.28 -0.17 0.46 1.64 1.04 -1.26 -2.06 113.70 110.07 2qf0 s SER 121 Ca 0.40 0.26 0.08 0.00 0.48 0.00 0.00 55.95 57.17 2qf0 s SER 121 Cb 0.04 1.12 0.01 0.00 0.10 0.00 0.00 66.02 67.30 2qf0 s SER 121 CO 0.21 -0.04 0.49 -0.62 0.98 0.00 0.00 173.24 174.26 2qf0 s ASP 122 N 1.48 5.12 0.00 7.02 2.15 -1.14 -4.98 116.67 126.33 2qf0 s ASP 122 Ca -0.05 -0.77 0.00 0.00 0.43 0.00 0.00 52.55 52.15 2qf0 s ASP 122 Cb -0.02 -0.30 0.00 0.00 -0.30 0.00 0.00 42.92 42.30 2qf0 s ASP 122 CO -0.13 -0.85 0.00 -1.20 -0.17 0.00 0.00 175.17 172.82 2qf0 n SER 123 N -1.75 0.00 0.21 -0.34 7.64 -1.26 -2.22 113.62 115.90 2qf0 n SER 123 Ca 0.06 0.22 0.10 0.00 1.01 0.00 0.00 58.87 60.26 2qf0 n SER 123 Cb 0.62 -0.29 0.56 0.00 -1.01 0.00 0.00 64.21 64.08 2qf0 n SER 123 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2qf0 h LEU 124 N 0.00 0.00 0.00 -3.43 5.85 -2.01 0.60 115.31 116.33 2qf0 h LEU 124 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 2qf0 h LEU 124 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2qf0 h LEU 124 CO 0.00 0.00 -1.91 0.35 -0.34 0.00 0.00 178.44 176.54 2qf0 n THR 125 N -2.34 0.69 -2.55 1.05 -2.24 -1.26 -4.97 114.28 102.66 2qf0 n THR 125 Ca -0.01 -0.65 -0.09 0.00 -2.27 0.00 0.00 64.05 61.03 2qf0 n THR 125 Cb 0.26 -0.31 -0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 -2.56 -2.83 -4.75 3.42 2.03 0.21 -4.93 116.55 107.14 2qf0 n ASP 126 Ca -0.13 0.24 -0.23 0.00 0.52 0.00 0.00 54.79 55.19 2qf0 n ASP 126 Cb 0.79 -2.45 -0.06 0.00 -0.72 0.00 0.00 41.12 38.68 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 -5.48 3.24 -0.25 -2.67 1.43 -1.25 -1.76 118.68 111.94 2qf0 s LEU 127 Ca 0.04 -0.84 -0.25 0.00 -1.03 0.00 0.00 54.13 52.05 2qf0 s LEU 127 Cb -0.02 -1.71 0.07 0.00 0.03 0.00 0.00 46.19 44.56 2qf0 s LEU 127 CO 0.05 -0.40 0.70 0.00 0.23 0.00 0.00 176.35 176.93 2qf0 s ALA 128 N -2.47 -1.74 -0.04 4.21 0.00 -0.33 -2.87 121.76 118.52 2qf0 s ALA 128 Ca 0.40 1.96 -0.02 0.00 0.00 0.00 0.00 51.96 54.30 2qf0 s ALA 128 Cb -0.01 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 2qf0 s ALA 128 CO 0.23 -0.33 0.07 0.08 0.00 0.00 0.00 175.76 175.81 2qf0 s VAL 129 N 0.30 4.74 0.20 0.00 1.01 -0.87 -1.64 120.40 124.13 2qf0 s VAL 129 Ca -0.01 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.77 2qf0 s VAL 129 Cb -0.05 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 2qf0 s VAL 129 CO 0.01 0.45 -0.15 -0.76 0.00 0.00 0.00 175.10 174.65 2qf0 s LEU 130 N -1.44 2.55 0.01 3.92 1.43 0.51 -0.89 118.68 124.76 2qf0 s LEU 130 Ca 0.20 -1.00 0.05 0.00 -1.03 0.00 0.00 54.13 52.34 2qf0 s LEU 130 Cb -0.12 -0.69 -0.02 0.00 0.03 0.00 0.00 46.19 45.39 2qf0 s LEU 130 CO 0.10 -0.15 -0.15 -0.75 0.23 0.00 0.00 176.35 175.63 2qf0 s LYS 131 N -3.55 1.11 -0.03 1.70 2.47 -0.83 -0.87 119.74 119.74 2qf0 s LYS 131 Ca 0.22 -0.64 -0.05 0.00 -1.56 0.00 0.00 55.97 53.94 2qf0 s LYS 131 Cb -0.01 -1.11 0.01 0.00 -1.46 0.00 0.00 37.83 35.26 2qf0 s LYS 131 CO 0.07 0.29 0.12 0.96 0.16 0.00 0.00 175.35 176.95 2qf0 s ILE 132 N -0.56 0.02 -0.36 5.43 -4.36 -0.91 -2.69 121.20 117.77 2qf0 s ILE 132 Ca 0.04 -0.20 -0.17 0.00 -0.26 0.00 0.00 60.65 60.07 2qf0 s ILE 132 Cb -0.07 -0.24 -0.00 0.00 1.25 0.00 0.00 42.46 43.40 2qf0 s ILE 132 CO 0.00 -0.11 0.44 0.20 0.24 0.00 0.00 174.94 175.71 2qf0 s ASN 133 N -0.32 6.23 -0.17 4.36 0.01 -1.26 -4.57 114.94 119.22 2qf0 s ASN 133 Ca -0.04 -0.24 -0.01 0.00 -0.71 0.00 0.00 52.86 51.87 2qf0 s ASN 133 Cb -0.03 -2.23 -0.00 0.00 0.41 0.00 0.00 41.25 39.40 2qf0 s ASN 133 CO 0.00 -0.44 -0.13 0.00 -1.51 0.00 0.00 177.10 175.02 2qf0 s ALA 134 N 2.19 2.56 -0.52 0.60 0.00 -1.26 -4.99 121.76 120.34 2qf0 s ALA 134 Ca 0.15 -1.09 -0.02 0.00 0.00 0.00 0.00 51.96 51.00 2qf0 s ALA 134 Cb -0.16 -1.33 0.30 0.00 0.00 0.00 0.00 23.12 21.93 2qf0 s ALA 134 CO 0.13 -0.15 2.11 -2.37 0.00 0.00 0.00 175.76 175.48 2qf0 n THR 135 N 4.27 3.24 -0.85 0.00 5.66 -1.26 -3.99 114.28 121.35 2qf0 n THR 135 Ca -0.19 -2.52 0.00 0.00 -3.05 0.00 0.00 64.05 58.29 2qf0 n THR 135 Cb 0.51 -1.29 0.00 0.00 -1.55 0.00 0.00 70.33 68.00 2qf0 n THR 135 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qf0 n GLY 136 N -0.16 0.68 0.00 1.09 0.00 -1.26 -5.16 105.19 100.37 2qf0 n GLY 136 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 0.00 1.89 3.19 -0.02 0.00 -1.26 -5.05 105.19 103.94 2qf0 n GLY 137 Ca 0.00 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.21 2.01 0.32 0.99 1.43 -1.26 -5.00 118.68 116.97 2qf0 s LEU 138 Ca 0.00 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.30 2qf0 s LEU 138 Cb 0.00 -1.30 -0.11 0.00 0.03 0.00 0.00 46.19 44.81 2qf0 s LEU 138 CO 0.00 0.14 1.43 -2.84 0.23 0.00 0.00 176.35 175.31 2qf0 s PRO 139 N 0.36 4.23 0.14 1.29 0.02 -1.26 -4.76 135.00 135.01 2qf0 s PRO 139 Ca -0.17 2.40 0.09 0.00 0.02 0.00 0.00 61.00 63.34 2qf0 s PRO 139 Cb -0.17 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 2qf0 s PRO 139 CO 0.08 -0.41 -0.18 0.95 -0.33 0.00 0.00 177.00 177.11 2qf0 s THR 140 N -0.75 2.81 -0.17 0.99 -4.23 -1.26 -4.53 115.64 108.51 2qf0 s THR 140 Ca 0.54 -1.61 -0.29 0.00 -1.18 0.00 0.00 61.69 59.15 2qf0 s THR 140 Cb -0.43 -2.31 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 2qf0 s THR 140 CO 0.54 0.03 1.49 -0.51 -0.54 0.00 0.00 174.62 175.63 2qf0 s ILE 141 N -1.31 3.88 0.17 2.99 1.10 -0.90 -4.78 121.20 122.35 2qf0 s ILE 141 Ca 0.19 1.04 -0.34 0.00 -0.51 0.00 0.00 60.65 61.03 2qf0 s ILE 141 Cb -0.10 -3.77 -0.14 0.00 0.15 0.00 0.00 42.46 38.60 2qf0 s ILE 141 CO 0.11 -0.20 1.52 -2.65 -2.11 0.00 0.00 174.94 171.60 2qf0 n PRO 142 N 7.17 2.02 -4.23 3.50 -0.02 -1.26 -4.87 135.00 137.31 2qf0 n PRO 142 Ca 0.16 0.73 -0.20 0.00 -2.02 0.00 0.00 63.50 62.18 2qf0 n PRO 142 Cb 0.45 -2.46 -0.12 0.00 -0.02 0.00 0.00 33.50 31.34 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 0.69 1.22 -0.24 4.25 1.01 -1.26 -1.73 121.20 125.14 2qf0 s ILE 143 Ca 0.77 -1.29 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 2qf0 s ILE 143 Cb -0.70 -1.14 0.07 0.00 0.01 0.00 0.00 42.46 40.70 2qf0 s ILE 143 CO 0.41 -0.15 0.04 0.21 0.00 0.00 0.00 174.94 175.45 2qf0 s ASN 144 N -1.65 3.41 0.46 3.58 3.84 -1.26 -4.99 114.94 118.33 2qf0 s ASN 144 Ca 0.00 -1.12 0.15 0.00 0.21 0.00 0.00 52.86 52.10 2qf0 s ASN 144 Cb -0.10 -0.77 1.06 0.00 -0.55 0.00 0.00 41.25 40.89 2qf0 s ASN 144 CO 0.02 -0.33 2.02 0.00 -2.79 0.00 0.00 177.10 176.02 2qf0 h ALA 145 N 8.15 1.71 0.00 1.71 0.00 -1.99 -3.10 119.26 125.73 2qf0 h ALA 145 Ca -0.16 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.39 2qf0 h ALA 145 Cb 1.08 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2qf0 h ALA 145 CO 0.39 0.20 -1.37 0.00 0.00 0.00 0.00 179.25 178.46 2qf0 h ARG 146 N 0.00 0.00 -6.53 0.00 2.47 -2.03 -3.47 114.38 104.82 2qf0 h ARG 146 Ca -0.00 0.00 -0.59 0.00 -1.26 0.00 0.00 59.98 58.12 2qf0 h ARG 146 Cb 0.28 0.00 0.08 0.00 -1.65 0.00 0.00 29.97 28.68 2qf0 h ARG 146 CO 0.02 0.49 0.61 -2.13 0.56 0.00 0.00 179.97 179.53 2qf0 n ARG 147 N -3.05 1.93 -5.05 0.04 3.00 -1.18 -4.99 116.66 107.37 2qf0 n ARG 147 Ca -0.10 0.69 -0.32 0.00 -0.00 0.00 0.00 57.85 58.12 2qf0 n ARG 147 Cb 0.93 -2.36 -0.16 0.00 0.00 0.00 0.00 32.46 30.87 2qf0 n ARG 147 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2qf0 s VAL 148 N 0.17 2.50 0.22 5.15 1.01 -1.26 -5.02 120.40 123.17 2qf0 s VAL 148 Ca 0.72 -0.88 -0.31 0.00 0.00 0.00 0.00 61.98 61.51 2qf0 s VAL 148 Cb -0.69 -1.98 -0.10 0.00 0.00 0.00 0.00 36.38 33.60 2qf0 s VAL 148 CO 0.47 0.55 1.53 -2.84 0.00 0.00 0.00 175.10 174.81 2qf0 s PRO 149 N 0.11 4.22 -0.03 2.72 0.02 -1.26 -5.03 135.00 135.74 2qf0 s PRO 149 Ca -0.10 2.38 0.05 0.00 0.02 0.00 0.00 61.00 63.36 2qf0 s PRO 149 Cb -0.16 -3.11 -0.01 0.00 0.02 0.00 0.00 34.50 31.25 2qf0 s PRO 149 CO 0.06 -0.54 -0.18 -1.01 -0.33 0.00 0.00 177.00 175.00 2qf0 s HIS 150 N 0.47 1.73 0.03 6.54 3.76 -1.26 -5.10 115.29 121.45 2qf0 s HIS 150 Ca 0.65 -0.44 -0.30 0.00 -0.15 0.00 0.00 55.06 54.81 2qf0 s HIS 150 Cb -0.44 -1.15 -0.08 0.00 1.11 0.00 0.00 32.58 32.03 2qf0 s HIS 150 CO 0.39 -0.12 1.73 0.42 -0.85 0.00 0.00 174.74 176.30 2qf0 s ILE 151 N -0.13 3.18 0.00 0.60 1.01 -1.26 -2.24 121.20 122.37 2qf0 s ILE 151 Ca -0.00 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.09 2qf0 s ILE 151 Cb -0.10 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.09 2qf0 s ILE 151 CO 0.01 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.54 2qf0 n GLY 152 N 4.16 0.85 3.71 6.18 0.00 -0.58 -4.96 105.19 114.55 2qf0 n GLY 152 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2qf0 n GLY 152 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qf0 s ASP 153 N -1.42 7.17 0.14 1.61 1.01 -0.95 -4.75 116.67 119.48 2qf0 s ASP 153 Ca 0.00 1.84 -0.31 0.00 0.71 0.00 0.00 52.55 54.79 2qf0 s ASP 153 Cb 0.00 -2.57 -0.10 0.00 1.01 0.00 0.00 42.92 41.25 2qf0 s ASP 153 CO 0.00 -0.43 1.79 -0.69 0.21 0.00 0.00 175.17 176.05 2qf0 s VAL 154 N 1.34 2.48 0.21 -1.27 1.01 -1.26 -2.60 120.40 120.30 2qf0 s VAL 154 Ca 0.55 0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.67 2qf0 s VAL 154 Cb -0.25 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 2qf0 s VAL 154 CO 0.27 0.00 -0.05 0.68 0.00 0.00 0.00 175.10 176.00 2qf0 s VAL 155 N 2.38 1.16 0.02 2.92 -7.23 0.04 -3.34 120.40 116.35 2qf0 s VAL 155 Ca 0.79 -2.06 0.05 0.00 -1.81 0.00 0.00 61.98 58.95 2qf0 s VAL 155 Cb -0.46 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.29 2qf0 s VAL 155 CO 0.35 -0.47 -0.16 -0.76 -0.31 0.00 0.00 175.10 173.74 2qf0 s LEU 156 N -3.27 2.10 -0.20 1.32 1.43 -0.24 -1.05 118.68 118.77 2qf0 s LEU 156 Ca 0.24 -0.39 -0.06 0.00 -1.03 0.00 0.00 54.13 52.90 2qf0 s LEU 156 Cb 0.04 -0.78 -0.03 0.00 0.03 0.00 0.00 46.19 45.45 2qf0 s LEU 156 CO 0.06 0.14 0.02 0.00 0.23 0.00 0.00 176.35 176.80 2qf0 s ALA 157 N -0.61 3.11 -0.13 4.21 0.00 0.20 -3.23 121.76 125.31 2qf0 s ALA 157 Ca 0.05 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.09 2qf0 s ALA 157 Cb -0.07 -1.81 -0.00 0.00 0.00 0.00 0.00 23.12 21.24 2qf0 s ALA 157 CO 0.00 -0.08 -0.19 0.42 0.00 0.00 0.00 175.76 175.91 2qf0 s ILE 158 N 0.87 2.39 0.00 0.00 1.01 -1.09 -1.16 121.20 123.23 2qf0 s ILE 158 Ca 0.02 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.78 2qf0 s ILE 158 Cb -0.14 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.36 2qf0 s ILE 158 CO 0.02 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.11 2qf0 n GLY 159 N 3.79 1.62 2.61 6.18 0.00 -0.63 -3.59 105.19 115.17 2qf0 n GLY 159 Ca -0.19 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 2qf0 n GLY 159 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qf0 s ASN 160 N 2.00 2.87 0.23 1.61 2.47 -1.02 0.15 114.94 123.24 2qf0 s ASN 160 Ca 0.00 -3.38 -0.30 0.00 0.42 0.00 0.00 52.86 49.60 2qf0 s ASN 160 Cb 0.00 -0.94 -0.09 0.00 -1.45 0.00 0.00 41.25 38.77 2qf0 s ASN 160 CO 0.00 -0.14 1.37 -2.84 -3.72 0.00 0.00 177.10 171.77 2qf0 s PRO 161 N -0.55 4.33 -1.60 0.43 0.02 -1.25 -3.18 135.00 133.19 2qf0 s PRO 161 Ca 0.29 2.17 -0.20 0.00 0.02 0.00 0.00 61.00 63.28 2qf0 s PRO 161 Cb -0.00 -3.15 0.20 0.00 0.02 0.00 0.00 34.50 31.57 2qf0 s PRO 161 CO -0.18 -0.33 0.51 0.66 -0.33 0.00 0.00 177.00 177.33 2qf0 n TYR 162 N 2.43 -1.20 -4.17 6.54 4.01 -0.31 0.95 117.16 125.41 2qf0 n TYR 162 Ca 0.06 0.59 -0.35 0.00 -0.16 0.00 0.00 57.90 58.04 2qf0 n TYR 162 Cb 0.42 -1.68 -0.02 0.00 -0.31 0.00 0.00 39.34 37.74 2qf0 n TYR 162 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2qf0 n ASN 163 N -2.21 -3.30 0.09 7.72 5.15 -1.19 -4.82 115.26 116.70 2qf0 n ASN 163 Ca 0.10 -0.98 0.12 0.00 -0.60 0.00 0.00 54.58 53.22 2qf0 n ASN 163 Cb 0.43 -2.91 0.23 0.00 -0.53 0.00 0.00 39.78 37.01 2qf0 n ASN 163 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2qf0 h LEU 164 N -1.59 0.00 0.00 1.20 3.38 0.35 -3.50 115.31 115.14 2qf0 h LEU 164 Ca -0.59 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.27 2qf0 h LEU 164 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2qf0 h LEU 164 CO 0.76 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.95 2qf0 n GLY 165 N 1.29 0.69 3.69 0.83 0.00 -1.26 -5.01 105.19 105.42 2qf0 n GLY 165 Ca 0.04 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.37 2qf0 n GLY 165 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qf0 s GLN 166 N -0.75 4.30 -0.09 1.61 0.74 -1.25 -3.96 119.66 120.27 2qf0 s GLN 166 Ca 0.00 1.89 0.05 0.00 0.05 0.00 0.00 55.36 57.35 2qf0 s GLN 166 Cb 0.00 -3.57 -0.00 0.00 1.10 0.00 0.00 33.01 30.54 2qf0 s GLN 166 CO 0.00 -0.55 -0.24 0.99 -0.55 0.00 0.00 175.29 174.94 2qf0 s THR 167 N 2.36 2.07 -0.19 -0.34 2.01 0.38 -4.92 115.64 117.01 2qf0 s THR 167 Ca 0.62 -1.03 -0.05 0.00 0.31 0.00 0.00 61.69 61.54 2qf0 s THR 167 Cb -0.30 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 2qf0 s THR 167 CO 0.25 0.56 -0.01 -0.63 -0.69 0.00 0.00 174.62 174.10 2qf0 s ILE 168 N 0.19 3.93 0.12 1.82 -1.09 -1.26 -1.60 121.20 123.31 2qf0 s ILE 168 Ca -0.14 -0.33 0.09 0.00 -2.23 0.00 0.00 60.65 58.04 2qf0 s ILE 168 Cb -0.17 -2.76 -0.04 0.00 -1.58 0.00 0.00 42.46 37.91 2qf0 s ILE 168 CO 0.07 0.45 -0.23 0.42 -1.23 0.00 0.00 174.94 174.42 2qf0 s THR 169 N 0.83 1.93 0.14 2.92 -4.23 -0.31 -4.94 115.64 111.97 2qf0 s THR 169 Ca 0.00 -1.65 0.06 0.00 -1.18 0.00 0.00 61.69 58.92 2qf0 s THR 169 Cb -0.14 -1.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.92 2qf0 s THR 169 CO 0.02 -0.02 0.02 -1.58 -0.54 0.00 0.00 174.62 172.52 2qf0 s GLN 170 N -2.01 2.54 0.00 3.99 -0.44 -1.26 -0.63 119.66 121.85 2qf0 s GLN 170 Ca 0.10 -0.95 0.00 0.00 -2.50 0.00 0.00 55.36 52.01 2qf0 s GLN 170 Cb -0.10 -2.48 0.00 0.00 -1.64 0.00 0.00 33.01 28.79 2qf0 s GLN 170 CO 0.05 0.50 0.00 0.41 0.50 0.00 0.00 175.29 176.75 2qf0 n GLY 171 N 0.15 1.74 3.54 2.59 0.00 -0.22 -4.32 105.19 108.68 2qf0 n GLY 171 Ca -0.10 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.48 0.01 -0.46 -0.61 -4.36 -1.26 -0.78 121.20 112.26 2qf0 s ILE 172 Ca 0.00 -1.39 -0.28 0.00 -0.26 0.00 0.00 60.65 58.73 2qf0 s ILE 172 Cb 0.00 -2.13 0.03 0.00 1.25 0.00 0.00 42.46 41.61 2qf0 s ILE 172 CO 0.00 -0.04 1.06 -0.63 0.24 0.00 0.00 174.94 175.57 2qf0 s ILE 173 N -4.01 4.32 0.20 8.37 1.01 -1.07 -2.44 121.20 127.58 2qf0 s ILE 173 Ca 0.22 1.09 0.08 0.00 0.00 0.00 0.00 60.65 62.04 2qf0 s ILE 173 Cb 0.00 -4.53 -0.11 0.00 0.01 0.00 0.00 42.46 37.83 2qf0 s ILE 173 CO 0.07 -0.91 1.45 0.28 0.00 0.00 0.00 174.94 175.83 2qf0 h SER 174 N 9.10 0.05 -5.70 3.58 0.02 -0.33 -1.53 113.55 118.73 2qf0 h SER 174 Ca -0.23 -0.04 0.29 0.00 -0.84 0.00 0.00 61.79 60.97 2qf0 h SER 174 Cb 1.07 -0.01 -0.05 0.00 0.14 0.00 0.00 62.40 63.54 2qf0 h SER 174 CO 1.09 0.83 0.81 0.00 -1.14 0.00 0.00 176.83 178.41 2qf0 s ALA 175 N -3.22 -2.20 0.04 3.77 0.00 -1.18 -4.94 121.76 114.03 2qf0 s ALA 175 Ca -0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 51.96 51.77 2qf0 s ALA 175 Cb 0.11 0.88 -0.01 0.00 0.00 0.00 0.00 23.12 24.10 2qf0 s ALA 175 CO 0.79 -1.13 0.10 0.95 0.00 0.00 0.00 175.76 176.48 2qf0 s THR 176 N -2.03 0.13 0.00 0.00 -4.23 -1.26 -1.46 115.64 106.79 2qf0 s THR 176 Ca 0.28 -1.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.74 2qf0 s THR 176 Cb -0.01 -0.85 0.00 0.00 1.34 0.00 0.00 72.50 72.97 2qf0 s THR 176 CO 0.01 -0.58 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 2qf0 n GLY 177 N 0.83 0.74 2.06 3.99 0.00 -1.26 -4.99 105.19 106.56 2qf0 n GLY 177 Ca -0.19 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2qf0 n GLY 177 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qf0 n PHE 189 N 0.00 -4.86 -3.65 1.61 3.72 -1.26 -5.03 117.46 107.98 2qf0 n PHE 189 Ca 0.00 2.85 -0.34 0.00 -0.05 0.00 0.00 57.45 59.91 2qf0 n PHE 189 Cb 0.00 -3.58 -0.05 0.00 -0.94 0.00 0.00 39.48 34.91 2qf0 n PHE 189 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2qf0 s LEU 190 N -0.82 4.35 -0.11 4.37 1.43 0.14 -4.89 118.68 123.15 2qf0 s LEU 190 Ca 0.00 0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 53.79 2qf0 s LEU 190 Cb 0.00 -2.90 -0.03 0.00 0.03 0.00 0.00 46.19 43.30 2qf0 s LEU 190 CO 0.00 0.19 -0.08 -1.58 0.23 0.00 0.00 176.35 175.12 2qf0 s GLN 191 N -1.91 3.23 0.08 1.70 0.74 -0.53 -0.76 119.66 122.21 2qf0 s GLN 191 Ca 0.32 -0.58 0.02 0.00 0.05 0.00 0.00 55.36 55.17 2qf0 s GLN 191 Cb -0.14 -2.71 -0.03 0.00 1.10 0.00 0.00 33.01 31.23 2qf0 s GLN 191 CO 0.18 0.40 -0.08 -0.08 -0.55 0.00 0.00 175.29 175.16 2qf0 s THR 192 N -0.09 0.72 -2.00 -0.34 -1.32 0.39 0.45 115.64 113.45 2qf0 s THR 192 Ca 0.01 -1.54 0.18 0.00 -1.21 0.00 0.00 61.69 59.12 2qf0 s THR 192 Cb -0.13 -1.20 0.27 0.00 -1.51 0.00 0.00 72.50 69.93 2qf0 s THR 192 CO 0.03 -0.60 1.20 -0.90 -2.21 0.00 0.00 174.62 172.14 2qf0 n ASP 193 N 0.68 2.88 -4.75 8.08 5.75 -1.02 -1.24 116.55 126.92 2qf0 n ASP 193 Ca -0.17 -1.85 -0.41 0.00 -0.01 0.00 0.00 54.79 52.35 2qf0 n ASP 193 Cb 0.58 -0.14 -0.03 0.00 -1.03 0.00 0.00 41.12 40.50 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 -1.33 3.47 -0.04 2.12 0.00 -1.26 -4.69 121.76 120.02 2qf0 s ALA 194 Ca 0.27 1.04 -0.33 0.00 0.00 0.00 0.00 51.96 52.94 2qf0 s ALA 194 Cb 0.17 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.75 2qf0 s ALA 194 CO 0.24 -0.42 1.87 0.43 0.00 0.00 0.00 175.76 177.88 2qf0 n SER 195 N 1.94 3.56 -4.00 0.00 7.64 -1.26 -4.73 113.62 116.77 2qf0 n SER 195 Ca 0.03 0.97 -0.30 0.00 1.01 0.00 0.00 58.87 60.58 2qf0 n SER 195 Cb 0.44 -1.41 -0.16 0.00 -1.01 0.00 0.00 64.21 62.07 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 3.83 1.51 0.42 0.44 -1.09 -1.26 -4.79 121.20 120.26 2qf0 s ILE 196 Ca 0.91 -0.67 0.01 0.00 -2.23 0.00 0.00 60.65 58.67 2qf0 s ILE 196 Cb -0.64 -1.47 0.01 0.00 -1.58 0.00 0.00 42.46 38.78 2qf0 s ILE 196 CO 0.49 0.38 0.07 0.59 -1.23 0.00 0.00 174.94 175.24 2qf0 n ASN 197 N 4.78 2.99 -4.65 3.58 3.02 -1.26 -4.81 115.26 118.91 2qf0 n ASN 197 Ca -0.16 -2.76 -0.42 0.00 -0.03 0.00 0.00 54.58 51.21 2qf0 n ASN 197 Cb 0.49 0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.85 2qf0 n ASN 197 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2qf0 s HIS 198 N -2.43 1.72 0.00 3.10 5.65 -1.26 -2.09 115.29 119.97 2qf0 s HIS 198 Ca 0.05 0.10 0.00 0.00 0.25 0.00 0.00 55.06 55.47 2qf0 s HIS 198 Cb -0.00 -4.03 0.00 0.00 -1.18 0.00 0.00 32.58 27.37 2qf0 s HIS 198 CO 0.03 -4.21 0.00 0.41 -0.65 0.00 0.00 174.74 170.32 2qf0 n GLY 199 N 4.51 1.11 0.06 1.59 0.00 -1.26 -1.17 105.19 110.03 2qf0 n GLY 199 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.33 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 0.46 -4.64 1.61 4.13 -0.89 -2.43 115.26 113.50 2qf0 n ASN 200 Ca 0.00 0.11 -0.49 0.00 1.68 0.00 0.00 54.58 55.87 2qf0 n ASN 200 Cb 0.00 1.16 -0.05 0.00 -1.54 0.00 0.00 39.78 39.34 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 -2.40 2.50 0.00 6.41 7.64 -1.26 -0.60 113.62 125.92 2qf0 n SER 201 Ca -0.01 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.95 2qf0 n SER 201 Cb 0.54 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 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 3.19 0.71 3.92 0.23 0.00 -0.39 0.32 105.19 113.16 2qf0 n GLY 202 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 2qf0 n GLY 202 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qf0 s GLY 203 N -1.63 1.66 0.50 -0.02 0.00 0.24 -2.96 107.32 105.11 2qf0 s GLY 203 Ca 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 44.72 43.87 2qf0 s GLY 203 CO 0.00 -0.45 0.78 0.00 0.00 0.00 0.00 173.10 173.43 2qf0 s ALA 204 N -3.17 3.47 -0.27 3.20 0.00 -1.24 -0.98 121.76 122.79 2qf0 s ALA 204 Ca 0.58 -0.74 0.13 0.00 0.00 0.00 0.00 51.96 51.93 2qf0 s ALA 204 Cb -0.11 -2.45 0.47 0.00 0.00 0.00 0.00 23.12 21.04 2qf0 s ALA 204 CO 0.45 -0.50 1.17 -0.11 0.00 0.00 0.00 175.76 176.77 2qf0 n LEU 205 N -2.30 3.64 -4.13 0.00 7.94 -0.47 -2.66 117.00 119.02 2qf0 n LEU 205 Ca 0.02 -4.08 -0.35 0.00 -1.11 0.00 0.00 56.01 50.48 2qf0 n LEU 205 Cb 0.57 -0.09 0.07 0.00 0.53 0.00 0.00 43.42 44.50 2qf0 n LEU 205 CO 0.51 1.69 -1.02 1.33 -1.11 0.00 0.00 177.39 178.79 2qf0 n VAL 206 N -0.66 0.00 -3.12 1.96 0.24 -1.20 -4.34 118.33 111.20 2qf0 n VAL 206 Ca 0.30 -0.36 -0.03 0.00 -2.04 0.00 0.00 64.34 62.21 2qf0 n VAL 206 Cb 0.91 -0.20 0.01 0.00 -1.47 0.00 0.00 33.84 33.08 2qf0 n VAL 206 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2qf0 n ASN 207 N 1.89 0.53 0.00 -1.34 0.23 -0.18 -1.08 115.26 115.30 2qf0 n ASN 207 Ca 0.01 -1.25 0.03 0.00 -0.53 0.00 0.00 54.58 52.84 2qf0 n ASN 207 Cb 0.57 -0.05 0.19 0.00 -2.08 0.00 0.00 39.78 38.41 2qf0 n ASN 207 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2qf0 n SER 208 N -2.70 0.00 -0.23 0.53 3.41 -1.21 -1.22 113.62 112.19 2qf0 n SER 208 Ca 0.02 -0.35 0.05 0.00 -0.26 0.00 0.00 58.87 58.33 2qf0 n SER 208 Cb 0.09 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.04 2qf0 n SER 208 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qf0 n LEU 209 N -0.87 1.23 0.00 1.04 4.77 -1.26 -4.36 117.00 117.55 2qf0 n LEU 209 Ca 0.05 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 2qf0 n LEU 209 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2qf0 n LEU 209 CO 0.04 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 2qf0 n GLY 210 N 0.89 1.21 3.73 -0.72 0.00 -0.36 -4.83 105.19 105.10 2qf0 n GLY 210 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.49 4.52 1.22 1.61 2.02 -1.26 -4.21 118.70 122.11 2qf0 s GLU 211 Ca 0.00 1.73 -0.15 0.00 0.02 0.00 0.00 54.97 56.57 2qf0 s GLU 211 Cb 0.00 -3.31 0.30 0.00 0.10 0.00 0.00 34.13 31.22 2qf0 s GLU 211 CO 0.00 -0.08 1.01 -1.17 0.02 0.00 0.00 175.26 175.04 2qf0 s LEU 212 N 0.30 0.41 0.81 1.80 2.96 -0.70 -1.02 118.68 123.24 2qf0 s LEU 212 Ca 0.53 1.30 -0.09 0.00 -0.22 0.00 0.00 54.13 55.66 2qf0 s LEU 212 Cb -0.29 -3.11 0.13 0.00 0.50 0.00 0.00 46.19 43.42 2qf0 s LEU 212 CO 0.32 -4.41 1.13 -0.83 -1.32 0.00 0.00 176.35 171.24 2qf0 s GLY 214 N -2.75 1.73 -0.27 7.98 0.00 -1.26 -4.77 107.32 107.99 2qf0 s GLY 214 Ca 0.68 -1.21 -0.04 0.00 0.00 0.00 0.00 44.72 44.16 2qf0 s GLY 214 CO 0.63 -0.62 0.00 -0.42 0.00 0.00 0.00 173.10 172.68 2qf0 s ILE 215 N -3.47 3.35 0.35 0.90 -1.09 0.17 -1.37 121.20 120.04 2qf0 s ILE 215 Ca 0.67 -0.88 -0.29 0.00 -2.23 0.00 0.00 60.65 57.92 2qf0 s ILE 215 Cb -0.07 -2.71 -0.11 0.00 -1.58 0.00 0.00 42.46 37.99 2qf0 s ILE 215 CO 0.48 0.15 1.48 0.20 -1.23 0.00 0.00 174.94 176.02 2qf0 s ASN 216 N 1.40 6.41 0.00 3.58 0.01 -0.15 -0.77 114.94 125.41 2qf0 s ASN 216 Ca 0.01 2.98 0.00 0.00 -0.71 0.00 0.00 52.86 55.14 2qf0 s ASN 216 Cb -0.17 -2.66 0.00 0.00 0.41 0.00 0.00 41.25 38.83 2qf0 s ASN 216 CO -0.01 -0.84 0.00 0.41 -1.51 0.00 0.00 177.10 175.15 2qf0 n THR 217 N 0.87 0.00 -4.17 1.60 -1.04 -0.90 -1.26 114.28 109.37 2qf0 n THR 217 Ca 0.02 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.94 2qf0 n THR 217 Cb 0.39 -0.12 -0.03 0.00 -1.82 0.00 0.00 70.33 68.76 2qf0 n THR 217 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2qf0 n LEU 218 N 0.00 0.00 -4.20 -4.42 4.77 -1.25 -4.04 117.00 107.86 2qf0 n LEU 218 Ca 0.00 -1.22 -0.25 0.00 -0.03 0.00 0.00 56.01 54.51 2qf0 n LEU 218 Cb 0.00 0.46 -0.15 0.00 -2.33 0.00 0.00 43.42 41.41 2qf0 n LEU 218 CO 0.00 -0.19 -0.51 -0.94 -1.33 0.00 0.00 177.39 174.42 2qf0 s SER 219 N -1.96 2.19 0.42 -1.43 1.04 -1.26 -1.38 113.70 111.32 2qf0 s SER 219 Ca 0.10 -0.41 -0.24 0.00 0.48 0.00 0.00 55.95 55.88 2qf0 s SER 219 Cb 0.00 -0.21 -0.11 0.00 0.10 0.00 0.00 66.02 65.81 2qf0 s SER 219 CO 0.07 0.18 0.93 0.33 0.98 0.00 0.00 173.24 175.73 2qf0 n PHE 220 N 2.27 0.88 -3.41 5.02 -0.00 -0.13 -4.99 117.46 117.10 2qf0 n PHE 220 Ca -0.16 0.57 -0.15 0.00 -0.00 0.00 0.00 57.45 57.71 2qf0 n PHE 220 Cb 0.54 -2.19 -0.10 0.00 -0.00 0.00 0.00 39.48 37.73 2qf0 n PHE 220 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 2qf0 s ASP 221 N -0.79 1.21 0.61 -2.13 -4.77 -1.26 -4.63 116.67 104.90 2qf0 s ASP 221 Ca 0.63 -0.36 0.30 0.00 -3.30 0.00 0.00 52.55 49.82 2qf0 s ASP 221 Cb -0.57 0.64 1.66 0.00 -1.09 0.00 0.00 42.92 43.56 2qf0 s ASP 221 CO 0.57 -0.35 2.04 1.23 0.70 0.00 0.00 175.17 179.35 2qf0 h GLY 226 N 8.25 0.00 -5.51 2.12 0.00 -2.08 -3.44 103.07 102.41 2qf0 h GLY 226 Ca -0.15 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.68 2qf0 h GLY 226 CO 0.30 0.00 -0.81 -0.54 0.00 0.00 0.00 176.54 175.49 2qf0 s GLU 227 N -4.50 1.44 -0.06 4.80 2.02 -1.26 -4.98 118.70 116.16 2qf0 s GLU 227 Ca -0.04 -0.44 -0.02 0.00 0.02 0.00 0.00 54.97 54.48 2qf0 s GLU 227 Cb 0.14 -1.26 0.00 0.00 0.10 0.00 0.00 34.13 33.11 2qf0 s GLU 227 CO 0.49 0.14 0.04 -2.37 0.02 0.00 0.00 175.26 173.58 2qf0 n THR 228 N 3.35 -3.29 -1.72 3.63 5.66 -1.26 -4.90 114.28 115.76 2qf0 n THR 228 Ca -0.19 0.63 -0.38 0.00 -3.05 0.00 0.00 64.05 61.06 2qf0 n THR 228 Cb 0.53 -3.50 0.05 0.00 -1.55 0.00 0.00 70.33 65.87 2qf0 n THR 228 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 2qf0 n PRO 229 N 1.13 1.36 -4.43 1.09 -0.02 -1.26 -5.02 135.00 127.85 2qf0 n PRO 229 Ca -0.00 0.51 -0.31 0.00 -2.02 0.00 0.00 63.50 61.68 2qf0 n PRO 229 Cb 0.45 -2.50 -0.16 0.00 -0.02 0.00 0.00 33.50 31.27 2qf0 n PRO 229 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2qf0 s GLU 230 N -3.04 2.64 -0.79 -0.52 2.12 -1.26 -4.82 118.70 113.04 2qf0 s GLU 230 Ca 0.76 -0.71 -0.04 0.00 0.36 0.00 0.00 54.97 55.34 2qf0 s GLU 230 Cb -0.41 -2.22 0.00 0.00 0.26 0.00 0.00 34.13 31.77 2qf0 s GLU 230 CO 0.45 -0.09 0.68 0.41 -0.54 0.00 0.00 175.26 176.18 2qf0 n GLY 231 N 4.29 0.04 2.65 -1.50 0.00 -1.26 -5.02 105.19 104.39 2qf0 n GLY 231 Ca -0.19 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.20 1.28 -0.03 -0.61 1.01 -1.26 -3.98 121.20 114.41 2qf0 s ILE 232 Ca 0.27 -2.73 0.06 0.00 0.00 0.00 0.00 60.65 58.25 2qf0 s ILE 232 Cb -0.12 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 2qf0 s ILE 232 CO 0.43 -0.99 -0.20 -0.83 0.00 0.00 0.00 174.94 173.36 2qf0 s GLY 233 N 0.11 1.41 0.11 6.18 0.00 -0.38 -0.96 107.32 113.80 2qf0 s GLY 233 Ca 0.22 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.90 2qf0 s GLY 233 CO -0.06 -0.85 0.22 -1.36 0.00 0.00 0.00 173.10 171.05 2qf0 s PHE 234 N -0.68 3.44 0.06 1.90 0.08 -0.48 -0.46 117.98 121.84 2qf0 s PHE 234 Ca 0.11 0.16 -0.08 0.00 0.12 0.00 0.00 56.93 57.24 2qf0 s PHE 234 Cb -0.10 -1.69 -0.00 0.00 -0.57 0.00 0.00 43.02 40.66 2qf0 s PHE 234 CO -0.00 0.55 0.16 0.00 -0.10 0.00 0.00 175.22 175.83 2qf0 s ALA 235 N -1.62 -0.20 -0.21 5.36 0.00 0.06 -2.11 121.76 123.04 2qf0 s ALA 235 Ca 0.34 -0.52 -0.17 0.00 0.00 0.00 0.00 51.96 51.61 2qf0 s ALA 235 Cb -0.12 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.32 2qf0 s ALA 235 CO 0.27 -0.41 0.45 0.42 0.00 0.00 0.00 175.76 176.49 2qf0 s ILE 236 N -3.17 5.15 0.27 0.00 -1.09 0.05 0.23 121.20 122.64 2qf0 s ILE 236 Ca -0.00 0.80 -0.30 0.00 -2.23 0.00 0.00 60.65 58.91 2qf0 s ILE 236 Cb 0.02 -3.77 -0.13 0.00 -1.58 0.00 0.00 42.46 36.99 2qf0 s ILE 236 CO -0.07 0.21 1.36 -0.81 -1.23 0.00 0.00 174.94 174.39 2qf0 n PRO 237 N 4.73 2.03 0.32 2.79 -0.04 -1.26 0.45 135.00 144.01 2qf0 n PRO 237 Ca -0.07 0.72 0.15 0.00 -0.04 0.00 0.00 63.50 64.26 2qf0 n PRO 237 Cb 0.51 -2.34 0.79 0.00 -0.04 0.00 0.00 33.50 32.41 2qf0 n PRO 237 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2qf0 h PHE 238 N 3.68 0.00 0.03 0.54 -5.15 -1.88 -1.82 116.94 112.33 2qf0 h PHE 238 Ca -0.45 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.32 2qf0 h PHE 238 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.45 2qf0 h PHE 238 CO 0.55 0.00 -0.02 -0.56 -2.00 0.00 0.00 178.31 176.28 2qf0 h GLN 239 N 0.00 -0.04 0.00 6.09 3.07 -1.96 -1.57 115.11 120.70 2qf0 h GLN 239 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.76 2qf0 h GLN 239 Cb 0.74 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.31 2qf0 h GLN 239 CO -0.00 -0.03 0.00 -0.11 0.09 0.00 0.00 178.83 178.78 2qf0 n LEU 240 N -4.27 0.00 -0.07 0.06 7.94 -0.94 -2.25 117.00 117.47 2qf0 n LEU 240 Ca -0.01 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.76 2qf0 n LEU 240 Cb 0.02 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.92 2qf0 n LEU 240 CO 0.01 0.00 -0.96 0.00 -1.11 0.00 0.00 177.39 175.33 2qf0 n ALA 241 N -0.64 2.04 0.27 1.96 0.00 -0.73 -4.38 120.51 119.03 2qf0 n ALA 241 Ca 0.02 -0.55 0.12 0.00 0.00 0.00 0.00 53.44 53.02 2qf0 n ALA 241 Cb 0.01 0.30 0.77 0.00 0.00 0.00 0.00 19.45 20.53 2qf0 n ALA 241 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2qf0 h THR 242 N -0.40 0.77 0.46 0.00 2.02 -0.82 -2.79 112.91 112.15 2qf0 h THR 242 Ca -0.34 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 2qf0 h THR 242 Cb 1.33 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 2qf0 h THR 242 CO -0.18 0.00 -0.22 0.50 0.37 0.00 0.00 175.52 175.99 2qf0 h LYS 243 N 0.00 -0.60 -1.83 6.66 3.64 -1.77 -3.08 116.57 119.58 2qf0 h LYS 243 Ca 0.01 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2qf0 h LYS 243 Cb 0.04 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2qf0 h LYS 243 CO -0.00 -0.30 0.00 -0.89 -2.27 0.00 0.00 179.45 175.99 2qf0 n ILE 244 N -5.23 0.00 0.00 2.00 2.08 -1.06 -2.48 119.36 114.67 2qf0 n ILE 244 Ca -0.10 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.21 2qf0 n ILE 244 Cb 0.30 -0.51 0.00 0.00 -0.75 0.00 0.00 39.64 38.68 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 1.23 0.00 0.21 4.38 8.00 -1.17 -1.98 116.55 127.22 2qf0 n ASP 246 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 2qf0 n ASP 246 Cb 0.00 0.00 0.44 0.00 -0.02 0.00 0.00 41.12 41.54 2qf0 n ASP 246 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2qf0 h LYS 247 N 0.00 0.00 0.04 -1.24 1.57 -1.80 -2.92 116.57 112.22 2qf0 h LYS 247 Ca 0.00 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 2qf0 h LYS 247 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2qf0 h LYS 247 CO 0.00 0.27 -1.29 -0.07 -0.57 0.00 0.00 179.45 177.78 2qf0 h LEU 248 N 0.00 0.13 -1.65 2.94 3.38 -1.68 -2.01 115.31 116.41 2qf0 h LEU 248 Ca -0.00 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 2qf0 h LEU 248 Cb 0.75 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2qf0 h LEU 248 CO 0.03 1.14 0.02 0.40 0.09 0.00 0.00 178.44 180.12 2qf0 h ILE 249 N 0.02 1.10 0.00 1.22 2.04 -1.79 -3.34 117.51 116.76 2qf0 h ILE 249 Ca -0.13 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.36 2qf0 h ILE 249 Cb 1.90 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 2qf0 h ILE 249 CO 0.13 0.13 0.00 0.54 0.00 0.00 0.00 178.15 178.95 2qf0 n ARG 250 N -4.41 0.00 0.00 2.37 1.74 -1.17 -5.00 116.66 110.19 2qf0 n ARG 250 Ca -0.00 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 2qf0 n ARG 250 Cb 0.15 -0.45 0.00 0.00 -1.02 0.00 0.00 32.46 31.15 2qf0 n ARG 250 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2qf0 n ASP 251 N -1.39 -1.35 0.00 0.55 9.92 -0.76 -5.12 116.55 118.40 2qf0 n ASP 251 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2qf0 n ASP 251 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2qf0 n ASP 251 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94