#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qjx n ASP 11 N 0.00 0.00 0.05 -3.46 5.75 -1.26 -3.12 116.55 114.51 1qjx n ASP 11 Ca 0.00 -0.46 0.11 0.00 -0.01 0.00 0.00 54.79 54.43 1qjx n ASP 11 Cb 0.00 -0.17 0.04 0.00 -1.03 0.00 0.00 41.12 39.96 1qjx n ASP 11 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1qjx n ARG 12 N -1.17 0.37 -3.74 0.11 5.12 -1.26 -4.57 116.66 111.52 1qjx n ARG 12 Ca 0.18 0.03 -0.27 0.00 -1.93 0.00 0.00 57.85 55.85 1qjx n ARG 12 Cb 0.18 -1.66 -0.03 0.00 -1.16 0.00 0.00 32.46 29.80 1qjx n ARG 12 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1qjx s ILE 13 N -3.24 5.23 -0.12 0.55 1.01 -1.18 -0.12 121.20 123.31 1qjx s ILE 13 Ca 0.03 -0.41 -0.23 0.00 0.00 0.00 0.00 60.65 60.04 1qjx s ILE 13 Cb 0.13 -3.73 0.05 0.00 0.01 0.00 0.00 42.46 38.93 1qjx s ILE 13 CO 0.79 -0.15 0.56 -0.51 0.00 0.00 0.00 174.94 175.63 1qjx s ILE 14 N -1.84 0.01 -0.05 2.92 2.07 -0.64 -4.92 121.20 118.76 1qjx s ILE 14 Ca 0.38 -0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.53 1qjx s ILE 14 Cb -0.11 -0.83 0.02 0.00 0.13 0.00 0.00 42.46 41.67 1qjx s ILE 14 CO 0.29 -0.05 -0.02 -1.58 -1.91 0.00 0.00 174.94 171.67 1qjx s GLN 15 N -0.50 0.63 -0.14 3.50 0.74 -1.26 -2.37 119.66 120.26 1qjx s GLN 15 Ca -0.06 -0.01 0.02 0.00 0.05 0.00 0.00 55.36 55.36 1qjx s GLN 15 Cb -0.03 -0.77 0.01 0.00 1.10 0.00 0.00 33.01 33.32 1qjx s GLN 15 CO 0.04 -0.15 -0.19 0.42 -0.55 0.00 0.00 175.29 174.87 1qjx s ILE 16 N 1.19 1.87 -0.12 -2.34 1.01 0.37 -4.95 121.20 118.23 1qjx s ILE 16 Ca -0.07 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.75 1qjx s ILE 16 Cb -0.14 -1.68 -0.00 0.00 0.01 0.00 0.00 42.46 40.65 1qjx s ILE 16 CO -0.02 0.51 -0.20 -0.89 0.00 0.00 0.00 174.94 174.35 1qjx s THR 17 N 0.99 2.40 -0.07 2.92 2.01 -1.26 -0.18 115.64 122.45 1qjx s THR 17 Ca -0.04 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 1qjx s THR 17 Cb -0.15 -1.96 0.04 0.00 0.01 0.00 0.00 72.50 70.44 1qjx s THR 17 CO -0.04 0.54 0.11 -0.13 -0.69 0.00 0.00 174.62 174.41 1qjx s ARG 18 N 0.48 -0.02 7.97 4.92 1.81 0.40 -5.01 118.95 129.51 1qjx s ARG 18 Ca -0.13 0.41 0.00 0.00 -1.72 0.00 0.00 55.73 54.29 1qjx s ARG 18 Cb -0.17 -0.54 0.00 0.00 -0.45 0.00 0.00 34.95 33.79 1qjx s ARG 18 CO 0.05 -0.36 0.00 0.41 -0.68 0.00 0.00 175.30 174.73 1qjx n GLY 19 N 5.31 4.06 1.66 -3.53 0.00 -1.19 -1.00 105.19 110.49 1qjx n GLY 19 Ca -0.04 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1qjx n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qjx n ASP 20 N 7.82 4.96 -4.33 1.61 8.00 -1.26 -4.93 116.55 128.42 1qjx n ASP 20 Ca 0.00 -2.53 -0.32 0.00 0.71 0.00 0.00 54.79 52.66 1qjx n ASP 20 Cb 0.00 -0.60 -0.15 0.00 -0.02 0.00 0.00 41.12 40.34 1qjx n ASP 20 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1qjx s SER 21 N -0.89 3.36 -0.06 -2.24 1.04 -0.17 -5.07 113.70 109.67 1qjx s SER 21 Ca 0.52 -0.42 0.02 0.00 0.48 0.00 0.00 55.95 56.56 1qjx s SER 21 Cb 0.35 -0.82 0.01 0.00 0.10 0.00 0.00 66.02 65.66 1qjx s SER 21 CO 0.24 0.27 -0.12 -0.89 0.98 0.00 0.00 173.24 173.72 1qjx s THR 22 N -0.32 1.11 0.04 2.02 2.01 -1.26 -0.46 115.64 118.78 1qjx s THR 22 Ca 0.02 -0.47 0.09 0.00 0.31 0.00 0.00 61.69 61.64 1qjx s THR 22 Cb -0.13 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 1qjx s THR 22 CO 0.02 0.35 -0.26 -0.63 -0.69 0.00 0.00 174.62 173.41 1qjx s ILE 23 N 0.65 2.08 0.16 1.82 1.01 0.75 -4.95 121.20 122.72 1qjx s ILE 23 Ca -0.14 -1.35 0.04 0.00 0.00 0.00 0.00 60.65 59.20 1qjx s ILE 23 Cb -0.15 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.49 1qjx s ILE 23 CO 0.03 0.36 -0.07 0.42 0.00 0.00 0.00 174.94 175.69 1qjx s THR 24 N -0.79 1.04 -0.27 2.92 -4.23 -1.26 -0.47 115.64 112.58 1qjx s THR 24 Ca 0.11 -2.04 -0.17 0.00 -1.18 0.00 0.00 61.69 58.42 1qjx s THR 24 Cb -0.10 -1.97 0.08 0.00 1.34 0.00 0.00 72.50 71.84 1qjx s THR 24 CO 0.02 -0.64 0.66 -0.55 -0.54 0.00 0.00 174.62 173.58 1qjx s SER 25 N -3.19 -0.87 0.00 3.99 0.15 -1.00 -5.01 113.70 107.78 1qjx s SER 25 Ca 0.20 1.44 0.22 0.00 0.70 0.00 0.00 55.95 58.51 1qjx s SER 25 Cb 0.04 1.33 0.63 0.00 -1.71 0.00 0.00 66.02 66.32 1qjx s SER 25 CO 0.02 -0.24 1.53 0.00 1.20 0.00 0.00 173.24 175.75 1qjx n GLN 26 N 4.05 2.74 -3.09 5.44 6.02 -1.26 -1.62 117.38 129.65 1qjx n GLN 26 Ca -0.19 -2.64 -0.18 0.00 -0.01 0.00 0.00 57.00 53.98 1qjx n GLN 26 Cb 0.58 -1.56 -0.04 0.00 1.02 0.00 0.00 30.24 30.24 1qjx n GLN 26 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1qjx n ASP 27 N 1.61 -1.40 -4.89 1.08 8.00 -0.88 -4.40 116.55 115.66 1qjx n ASP 27 Ca 0.24 -2.73 -0.20 0.00 0.71 0.00 0.00 54.79 52.80 1qjx n ASP 27 Cb 0.62 0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 42.03 1qjx n ASP 27 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1qjx s VAL 28 N 0.03 3.36 -0.53 2.53 -7.23 0.82 -1.11 120.40 118.28 1qjx s VAL 28 Ca 0.33 -1.28 0.06 0.00 -1.81 0.00 0.00 61.98 59.27 1qjx s VAL 28 Cb 0.10 -3.16 0.36 0.00 0.56 0.00 0.00 36.38 34.24 1qjx s VAL 28 CO -0.15 -0.12 0.98 0.00 -0.31 0.00 0.00 175.10 175.50 1qjx n ALA 29 N -1.49 4.60 -0.67 1.32 0.00 -1.26 -4.71 120.51 118.30 1qjx n ALA 29 Ca 0.00 -4.51 0.00 0.00 0.00 0.00 0.00 53.44 48.94 1qjx n ALA 29 Cb 0.60 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.35 1qjx n ALA 29 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1qjx n ASN 30 N -0.27 -2.33 -4.02 0.00 4.05 -1.26 -4.92 115.26 106.51 1qjx n ASN 30 Ca 0.32 0.00 -0.08 0.00 0.45 0.00 0.00 54.58 55.27 1qjx n ASN 30 Cb 0.48 0.00 -0.10 0.00 1.23 0.00 0.00 39.78 41.40 1qjx n ASN 30 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1qjx s ALA 31 N -1.67 0.29 -0.09 5.20 0.00 -1.26 -4.54 121.76 119.69 1qjx s ALA 31 Ca 0.00 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.01 1qjx s ALA 31 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.42 1qjx s ALA 31 CO 0.00 -0.37 -0.21 0.08 0.00 0.00 0.00 175.76 175.26 1qjx s VAL 32 N -3.56 1.84 -0.39 0.00 1.01 -0.75 -5.03 120.40 113.51 1qjx s VAL 32 Ca 0.03 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 61.03 1qjx s VAL 32 Cb 0.05 -1.60 0.04 0.00 0.00 0.00 0.00 36.38 34.87 1qjx s VAL 32 CO -0.09 0.51 0.22 -0.69 0.00 0.00 0.00 175.10 175.05 1qjx s VAL 33 N 0.45 4.45 -0.22 2.92 1.01 -1.26 -0.18 120.40 127.56 1qjx s VAL 33 Ca -0.17 -1.02 -0.39 0.00 0.00 0.00 0.00 61.98 60.40 1qjx s VAL 33 Cb -0.17 -3.55 -0.15 0.00 0.00 0.00 0.00 36.38 32.51 1qjx s VAL 33 CO 0.07 -0.31 1.77 0.61 0.00 0.00 0.00 175.10 177.25 1qjx n GLY 34 N 4.97 1.01 2.49 4.51 0.00 0.71 -0.94 105.19 117.94 1qjx n GLY 34 Ca -0.11 0.91 -0.20 0.00 0.00 0.00 0.00 46.02 46.62 1qjx n GLY 34 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qjx n TYR 35 N 5.64 -0.19 -1.40 1.61 4.01 -1.26 -2.38 117.16 123.19 1qjx n TYR 35 Ca 0.25 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.86 1qjx n TYR 35 Cb 0.17 -3.39 -0.06 0.00 -0.31 0.00 0.00 39.34 35.75 1qjx n TYR 35 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qjx n GLY 36 N -0.44 1.36 3.29 2.72 0.00 -0.12 -4.97 105.19 107.03 1qjx n GLY 36 Ca -0.20 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 1qjx n GLY 36 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qjx s VAL 37 N -2.27 2.87 0.14 1.61 1.01 -1.00 -5.08 120.40 117.67 1qjx s VAL 37 Ca 0.00 -0.70 -0.27 0.00 0.00 0.00 0.00 61.98 61.01 1qjx s VAL 37 Cb 0.00 -2.23 -0.07 0.00 0.00 0.00 0.00 36.38 34.08 1qjx s VAL 37 CO 0.00 0.50 0.83 0.86 0.00 0.00 0.00 175.10 177.30 1qjx s TRP 38 N 0.83 3.87 0.40 5.22 -0.11 -1.26 -3.97 118.94 123.92 1qjx s TRP 38 Ca -0.04 1.68 -0.26 0.00 1.22 0.00 0.00 56.10 58.69 1qjx s TRP 38 Cb -0.15 -2.86 -0.10 0.00 -1.50 0.00 0.00 33.47 28.85 1qjx s TRP 38 CO 0.00 0.40 1.25 -0.35 -4.62 0.00 0.00 176.95 173.63 1qjx n PRO 39 N 2.05 1.93 -3.76 5.86 -0.04 -1.26 -4.90 135.00 134.87 1qjx n PRO 39 Ca -0.03 0.68 -0.10 0.00 -0.04 0.00 0.00 63.50 64.02 1qjx n PRO 39 Cb 0.49 -2.34 -0.06 0.00 -0.04 0.00 0.00 33.50 31.55 1qjx n PRO 39 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1qjx s HIS 40 N -1.18 -0.02 0.69 0.54 -3.43 -1.26 -4.95 115.29 105.69 1qjx s HIS 40 Ca 0.60 -0.33 -0.14 0.00 -0.80 0.00 0.00 55.06 54.39 1qjx s HIS 40 Cb -0.53 0.08 0.01 0.00 -1.43 0.00 0.00 32.58 30.72 1qjx s HIS 40 CO 0.59 -0.59 1.10 0.71 -2.00 0.00 0.00 174.74 174.55 1qjx s TYR 41 N -3.62 2.64 0.12 0.38 2.02 -1.26 -4.94 117.35 112.68 1qjx s TYR 41 Ca 0.03 1.55 -0.31 0.00 -0.37 0.00 0.00 57.07 57.96 1qjx s TYR 41 Cb 0.03 -3.12 -0.08 0.00 -0.40 0.00 0.00 41.96 38.39 1qjx s TYR 41 CO -0.10 -1.68 1.40 -1.17 -1.57 0.00 0.00 175.55 172.43 1qjx s LEU 42 N -5.16 4.37 0.38 -1.29 2.96 -1.26 -5.02 118.68 113.66 1qjx s LEU 42 Ca 0.65 2.34 -0.08 0.00 -0.22 0.00 0.00 54.13 56.82 1qjx s LEU 42 Cb -0.19 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 42.86 1qjx s LEU 42 CO 0.46 -0.66 0.70 0.42 -1.32 0.00 0.00 176.35 175.95 1qjx s THR 43 N 1.12 4.88 0.57 3.68 -4.23 -1.26 -4.92 115.64 115.48 1qjx s THR 43 Ca 0.65 0.37 0.40 0.00 -1.18 0.00 0.00 61.69 61.92 1qjx s THR 43 Cb -0.37 -3.75 0.42 0.00 1.34 0.00 0.00 72.50 70.13 1qjx s THR 43 CO 0.30 -0.51 2.29 1.55 -0.54 0.00 0.00 174.62 177.72 1qjx h PRO 44 N 1.23 0.00 -0.00 3.99 0.13 -1.95 -1.00 132.00 134.41 1qjx h PRO 44 Ca -0.47 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.49 1qjx h PRO 44 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1qjx h PRO 44 CO 0.64 0.01 -0.78 -0.56 -0.23 0.00 0.00 178.00 177.08 1qjx h GLN 45 N 0.00 0.02 0.00 0.86 -0.00 -2.03 -3.28 115.11 110.68 1qjx h GLN 45 Ca -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 1qjx h GLN 45 Cb 0.09 0.01 0.00 0.00 -0.00 0.00 0.00 27.48 27.57 1qjx h GLN 45 CO 0.00 0.79 -1.34 -0.25 -0.00 0.00 0.00 178.83 178.03 1qjx n ASP 46 N -3.63 0.51 -4.76 0.06 9.92 -0.82 -4.98 116.55 112.86 1qjx n ASP 46 Ca -0.01 -0.28 -0.33 0.00 -0.53 0.00 0.00 54.79 53.64 1qjx n ASP 46 Cb 0.75 1.22 0.06 0.00 -0.64 0.00 0.00 41.12 42.50 1qjx n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qjx s ALA 47 N -3.27 2.38 0.00 2.24 0.00 -0.44 -4.64 121.76 118.03 1qjx s ALA 47 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1qjx s ALA 47 Cb 0.14 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.90 1qjx s ALA 47 CO 0.85 -1.42 0.00 -2.37 0.00 0.00 0.00 175.76 172.82 1qjx n THR 48 N -2.44 0.00 -1.98 0.00 5.66 -1.26 -5.01 114.28 109.25 1qjx n THR 48 Ca 0.11 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.70 1qjx n THR 48 Cb 0.51 -0.66 -0.02 0.00 -1.55 0.00 0.00 70.33 68.62 1qjx n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qjx s ALA 49 N -1.78 3.61 -2.70 1.79 0.00 -1.26 -4.93 121.76 116.48 1qjx s ALA 49 Ca 0.00 1.37 0.24 0.00 0.00 0.00 0.00 51.96 53.58 1qjx s ALA 49 Cb 0.00 -3.56 0.28 0.00 0.00 0.00 0.00 23.12 19.84 1qjx s ALA 49 CO 0.00 -0.79 1.30 0.44 0.00 0.00 0.00 175.76 176.71 1qjx n ILE 50 N 1.74 0.00 -2.78 0.00 -5.35 -1.26 -4.95 119.36 106.76 1qjx n ILE 50 Ca 0.05 -0.41 -0.31 0.00 -0.27 0.00 0.00 62.75 61.81 1qjx n ILE 50 Cb 0.40 1.29 -0.03 0.00 -1.74 0.00 0.00 39.64 39.56 1qjx n ILE 50 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1qjx s ASP 51 N -2.11 6.53 0.08 7.28 -4.77 -1.26 -5.00 116.67 117.42 1qjx s ASP 51 Ca 0.27 1.20 -0.31 0.00 -3.30 0.00 0.00 52.55 50.41 1qjx s ASP 51 Cb 0.20 -2.35 -0.08 0.00 -1.09 0.00 0.00 42.92 39.59 1qjx s ASP 51 CO 0.37 -0.43 1.58 -0.75 0.70 0.00 0.00 175.17 176.64 1qjx s LYS 52 N -3.90 4.22 0.71 2.11 2.20 -1.26 -4.95 119.74 118.87 1qjx s LYS 52 Ca 0.52 2.27 -0.11 0.00 -0.36 0.00 0.00 55.97 58.29 1qjx s LYS 52 Cb -0.10 -3.49 0.02 0.00 -1.51 0.00 0.00 37.83 32.75 1qjx s LYS 52 CO 0.32 -0.67 1.07 -2.14 -0.36 0.00 0.00 175.35 173.57 1qjx s PRO 53 N 2.23 2.77 -0.13 4.03 0.02 -1.26 -4.89 135.00 137.77 1qjx s PRO 53 Ca 0.71 0.98 -0.03 0.00 0.02 0.00 0.00 61.00 62.68 1qjx s PRO 53 Cb -0.39 -1.97 -0.03 0.00 0.02 0.00 0.00 34.50 32.13 1qjx s PRO 53 CO 0.31 -1.22 -0.02 -0.08 -0.33 0.00 0.00 177.00 175.65 1qjx s THR 54 N -3.02 4.04 -0.44 0.99 -1.32 0.27 -4.92 115.64 111.23 1qjx s THR 54 Ca 0.59 -0.32 0.03 0.00 -1.21 0.00 0.00 61.69 60.77 1qjx s THR 54 Cb -0.15 -2.74 0.13 0.00 -1.51 0.00 0.00 72.50 68.23 1qjx s THR 54 CO 0.55 0.53 0.21 -1.10 -2.21 0.00 0.00 174.62 172.60 1qjx s GLN 55 N -0.09 1.50 0.63 7.08 -0.21 -1.26 -1.46 119.66 125.86 1qjx s GLN 55 Ca 0.03 -2.12 0.31 0.00 0.02 0.00 0.00 55.36 53.60 1qjx s GLN 55 Cb -0.13 -2.75 1.72 0.00 1.00 0.00 0.00 33.01 32.86 1qjx s GLN 55 CO 0.02 -1.10 2.02 -1.35 -2.12 0.00 0.00 175.29 172.76 1qjx h PRO 56 N 6.87 0.00 0.00 2.91 0.11 -1.98 -3.47 132.00 136.44 1qjx h PRO 56 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1qjx h PRO 56 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1qjx h PRO 56 CO 0.56 0.00 0.00 -3.47 -0.21 0.00 0.00 178.00 174.88 1qjx n ASP 57 N -3.28 0.00 0.33 -2.05 2.03 -1.26 -2.95 116.55 109.36 1qjx n ASP 57 Ca 0.01 0.00 0.21 0.00 0.52 0.00 0.00 54.79 55.52 1qjx n ASP 57 Cb 0.37 0.00 1.12 0.00 -0.72 0.00 0.00 41.12 41.90 1qjx n ASP 57 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1qjx h THR 58 N 0.00 0.12 0.00 5.18 1.35 -1.91 0.18 112.91 117.84 1qjx h THR 58 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1qjx h THR 58 Cb 0.00 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1qjx h THR 58 CO 0.00 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.07 1qjx n SER 59 N -3.25 0.01 0.00 5.36 7.64 -1.15 -4.03 113.62 118.19 1qjx n SER 59 Ca -0.03 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1qjx n SER 59 Cb 0.11 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 1qjx n SER 59 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1qjx n SER 60 N -1.51 3.84 -4.08 6.43 3.41 -0.50 -4.35 113.62 116.85 1qjx n SER 60 Ca 0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.25 1qjx n SER 60 Cb 0.34 0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 1qjx n SER 60 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1qjx n ASN 61 N -1.75 5.12 -4.02 4.04 3.02 0.52 -4.30 115.26 117.89 1qjx n ASN 61 Ca 0.00 -3.06 -0.09 0.00 -0.03 0.00 0.00 54.58 51.40 1qjx n ASN 61 Cb 0.39 -1.51 -0.08 0.00 -0.61 0.00 0.00 39.78 37.97 1qjx n ASN 61 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qjx s ARG 62 N 0.86 1.02 0.09 3.52 1.70 -1.26 -3.16 118.95 121.72 1qjx s ARG 62 Ca 0.41 -1.24 -0.30 0.00 -0.47 0.00 0.00 55.73 54.12 1qjx s ARG 62 Cb 0.05 0.32 -0.06 0.00 -0.57 0.00 0.00 34.95 34.69 1qjx s ARG 62 CO 0.00 -0.34 1.17 -0.06 -1.08 0.00 0.00 175.30 174.99 1qjx s PHE 63 N -3.98 3.48 -0.16 5.89 0.08 -1.26 -3.88 117.98 118.15 1qjx s PHE 63 Ca 0.18 1.39 0.02 0.00 0.12 0.00 0.00 56.93 58.64 1qjx s PHE 63 Cb 0.05 -3.38 0.01 0.00 -0.57 0.00 0.00 43.02 39.14 1qjx s PHE 63 CO -0.01 -1.07 -0.20 0.71 -0.10 0.00 0.00 175.22 174.55 1qjx s TYR 64 N 0.70 2.73 -0.20 0.36 2.02 0.12 -4.91 117.35 118.18 1qjx s TYR 64 Ca 0.56 -1.47 -0.16 0.00 -0.37 0.00 0.00 57.07 55.63 1qjx s TYR 64 Cb -0.29 -1.87 -0.04 0.00 -0.40 0.00 0.00 41.96 39.36 1qjx s TYR 64 CO 0.31 -0.70 0.41 0.99 -1.57 0.00 0.00 175.55 175.00 1qjx s THR 65 N 1.04 5.19 0.90 -0.71 2.01 -1.26 -0.80 115.64 122.01 1qjx s THR 65 Ca -0.01 0.74 -0.12 0.00 0.31 0.00 0.00 61.69 62.61 1qjx s THR 65 Cb -0.14 -3.74 0.18 0.00 0.01 0.00 0.00 72.50 68.80 1qjx s THR 65 CO -0.07 0.25 1.24 -0.76 -0.69 0.00 0.00 174.62 174.59 1qjx s LEU 66 N 1.31 2.76 0.31 4.42 1.02 0.03 -5.00 118.68 123.52 1qjx s LEU 66 Ca 0.20 0.16 -0.29 0.00 0.02 0.00 0.00 54.13 54.22 1qjx s LEU 66 Cb -0.15 -2.30 -0.10 0.00 0.02 0.00 0.00 46.19 43.66 1qjx s LEU 66 CO 0.08 -2.50 1.42 -1.81 0.02 0.00 0.00 176.35 173.57 1qjx s ASP 67 N -4.84 6.59 0.62 2.29 1.01 -1.26 -4.62 116.67 116.47 1qjx s ASP 67 Ca 0.72 2.79 -0.13 0.00 0.71 0.00 0.00 52.55 56.63 1qjx s ASP 67 Cb -0.05 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.21 1qjx s ASP 67 CO 0.51 -0.71 1.04 -0.44 0.21 0.00 0.00 175.17 175.78 1qjx s SER 68 N -0.00 5.86 0.25 0.27 0.01 -1.26 -4.70 113.70 114.13 1qjx s SER 68 Ca 0.55 1.63 0.08 0.00 1.31 0.00 0.00 55.95 59.52 1qjx s SER 68 Cb -0.43 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.25 1qjx s SER 68 CO 0.51 -1.12 -0.13 -0.54 0.41 0.00 0.00 173.24 172.38 1qjx s LYS 69 N -4.64 1.51 -0.16 12.44 -0.14 -0.10 -4.94 119.74 123.72 1qjx s LYS 69 Ca 0.59 -1.72 -0.05 0.00 -1.36 0.00 0.00 55.97 53.44 1qjx s LYS 69 Cb -0.13 -1.32 -0.03 0.00 -1.68 0.00 0.00 37.83 34.67 1qjx s LYS 69 CO 0.46 0.17 0.00 -1.64 -0.76 0.00 0.00 175.35 173.58 1qjx s MET 70 N -3.64 3.69 -0.28 1.68 -1.94 -1.26 -0.23 119.30 117.33 1qjx s MET 70 Ca 0.27 -0.44 -0.10 0.00 -1.71 0.00 0.00 55.69 53.71 1qjx s MET 70 Cb 0.00 -3.01 -0.03 0.00 2.01 0.00 0.00 34.83 33.80 1qjx s MET 70 CO 0.11 0.32 0.14 -0.46 -0.01 0.00 0.00 175.02 175.12 1qjx s TRP 71 N 0.19 3.16 0.21 -0.03 -0.00 -0.68 -4.94 118.94 116.86 1qjx s TRP 71 Ca 0.01 -0.24 0.03 0.00 -0.00 0.00 0.00 56.10 55.90 1qjx s TRP 71 Cb -0.13 -2.33 -0.05 0.00 -0.00 0.00 0.00 33.47 30.96 1qjx s TRP 71 CO 0.02 -0.31 0.01 0.54 -0.00 0.00 0.00 176.95 177.21 1qjx s ASN 72 N 1.68 1.54 0.50 5.86 2.20 -1.26 -4.43 114.94 121.03 1qjx s ASN 72 Ca 0.06 -1.21 0.09 0.00 -0.94 0.00 0.00 52.86 50.86 1qjx s ASN 72 Cb -0.16 0.06 0.51 0.00 -2.00 0.00 0.00 41.25 39.66 1qjx s ASN 72 CO 0.07 -0.55 1.20 0.77 -2.94 0.00 0.00 177.10 175.65 1qjx h SER 73 N 2.55 0.00 -0.03 3.54 4.64 -1.98 0.90 113.55 123.17 1qjx h SER 73 Ca -0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1qjx h SER 73 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1qjx h SER 73 CO 0.63 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.94 1qjx n THR 74 N -2.29 0.07 -1.69 2.95 -2.24 -1.26 -4.78 114.28 105.05 1qjx n THR 74 Ca -0.01 -0.53 -0.43 0.00 -2.27 0.00 0.00 64.05 60.81 1qjx n THR 74 Cb 0.65 1.13 -0.01 0.00 -2.10 0.00 0.00 70.33 69.99 1qjx n THR 74 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1qjx n SER 75 N 0.45 2.78 -0.00 3.42 7.64 0.31 -4.91 113.62 123.31 1qjx n SER 75 Ca 0.05 1.18 0.08 0.00 1.01 0.00 0.00 58.87 61.19 1qjx n SER 75 Cb 0.22 -1.46 -0.10 0.00 -1.01 0.00 0.00 64.21 61.85 1qjx n SER 75 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1qjx n LYS 76 N 1.18 1.37 0.00 1.43 5.02 -1.26 -4.79 118.16 121.11 1qjx n LYS 76 Ca 0.08 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1qjx n LYS 76 Cb 0.34 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 1qjx n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qjx n GLY 77 N 1.42 3.00 3.13 0.72 0.00 -1.26 -4.56 105.19 107.64 1qjx n GLY 77 Ca 0.02 -1.89 -0.08 0.00 0.00 0.00 0.00 46.02 44.07 1qjx n GLY 77 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1qjx s TRP 78 N -2.01 0.30 -0.07 1.61 0.51 -0.32 -0.77 118.94 118.18 1qjx s TRP 78 Ca 0.00 -0.73 -0.19 0.00 -2.12 0.00 0.00 56.10 53.06 1qjx s TRP 78 Cb 0.00 -0.20 0.04 0.00 -0.81 0.00 0.00 33.47 32.50 1qjx s TRP 78 CO 0.00 -0.42 0.45 1.67 -0.51 0.00 0.00 176.95 178.13 1qjx s TRP 79 N -3.44 -0.40 0.17 -1.98 1.48 -0.91 -0.91 118.94 112.96 1qjx s TRP 79 Ca 0.02 0.77 0.05 0.00 -1.06 0.00 0.00 56.10 55.88 1qjx s TRP 79 Cb 0.04 0.20 -0.05 0.00 -1.16 0.00 0.00 33.47 32.50 1qjx s TRP 79 CO -0.08 -0.40 -0.09 -1.58 -4.06 0.00 0.00 176.95 170.74 1qjx s TRP 80 N -0.83 1.39 0.00 1.66 0.51 -0.20 -0.82 118.94 120.66 1qjx s TRP 80 Ca -0.09 -0.77 0.06 0.00 -2.12 0.00 0.00 56.10 53.18 1qjx s TRP 80 Cb -0.03 -0.72 -0.02 0.00 -0.81 0.00 0.00 33.47 31.88 1qjx s TRP 80 CO 0.05 0.09 -0.19 0.15 -0.51 0.00 0.00 176.95 176.54 1qjx s LYS 81 N -3.76 1.47 0.01 4.98 1.02 -1.26 -0.55 119.74 121.64 1qjx s LYS 81 Ca 0.20 -0.76 0.04 0.00 0.02 0.00 0.00 55.97 55.47 1qjx s LYS 81 Cb 0.03 -1.47 -0.03 0.00 -0.52 0.00 0.00 37.83 35.84 1qjx s LYS 81 CO 0.03 0.39 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.25 1qjx s LEU 82 N -0.69 3.02 0.00 3.17 1.43 0.50 0.07 118.68 126.19 1qjx s LEU 82 Ca 0.07 -0.20 0.30 0.00 -1.03 0.00 0.00 54.13 53.27 1qjx s LEU 82 Cb -0.08 -1.73 1.73 0.00 0.03 0.00 0.00 46.19 46.14 1qjx s LEU 82 CO 0.00 0.28 2.10 -0.81 0.23 0.00 0.00 176.35 178.16 1qjx n PRO 83 N 1.63 0.84 -0.28 1.29 -0.04 -1.26 -1.31 135.00 135.86 1qjx n PRO 83 Ca -0.16 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.32 1qjx n PRO 83 Cb 0.52 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.57 1qjx n PRO 83 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1qjx h ASP 84 N 0.00 -0.83 0.00 3.54 3.58 -1.74 0.50 116.42 121.47 1qjx h ASP 84 Ca 0.00 0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.69 1qjx h ASP 84 Cb 0.05 0.52 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1qjx h ASP 84 CO 0.00 -0.27 0.21 0.00 -2.88 0.00 0.00 179.24 176.30 1qjx h ALA 85 N 1.69 1.21 -0.24 -0.78 0.00 -0.59 -1.05 119.26 119.51 1qjx h ALA 85 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1qjx h ALA 85 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1qjx h ALA 85 CO -0.82 -0.21 0.00 1.28 0.00 0.00 0.00 179.25 179.50 1qjx n LEU 86 N -2.91 2.77 0.24 0.00 4.77 0.16 -3.19 117.00 118.84 1qjx n LEU 86 Ca -0.02 -1.47 0.17 0.00 -0.03 0.00 0.00 56.01 54.66 1qjx n LEU 86 Cb 0.27 -0.15 0.79 0.00 -2.33 0.00 0.00 43.42 41.99 1qjx n LEU 86 CO 0.15 0.61 1.15 0.07 -1.33 0.00 0.00 177.39 178.04 1qjx h LYS 87 N 2.97 0.00 -0.10 3.23 2.10 -1.07 -0.58 116.57 123.12 1qjx h LYS 87 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1qjx h LYS 87 Cb 0.73 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.05 1qjx h LYS 87 CO 0.00 0.00 -0.10 -3.47 -2.00 0.00 0.00 179.45 173.88 1qjx n ASP 88 N -3.22 2.59 -4.37 7.07 2.03 -1.26 -4.48 116.55 114.91 1qjx n ASP 88 Ca 0.02 -3.32 -0.43 0.00 0.52 0.00 0.00 54.79 51.57 1qjx n ASP 88 Cb 0.47 -0.50 -0.09 0.00 -0.72 0.00 0.00 41.12 40.28 1qjx n ASP 88 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1qjx s MET 89 N -2.99 2.89 0.00 -0.67 -1.94 -0.22 -4.93 119.30 111.43 1qjx s MET 89 Ca 0.37 -1.31 0.00 0.00 -1.71 0.00 0.00 55.69 53.04 1qjx s MET 89 Cb 0.33 -4.01 0.00 0.00 2.01 0.00 0.00 34.83 33.16 1qjx s MET 89 CO 0.02 -0.95 0.00 0.41 -0.01 0.00 0.00 175.02 174.49 1qjx n GLY 90 N 5.12 0.87 0.34 -0.03 0.00 -1.26 -0.94 105.19 109.28 1qjx n GLY 90 Ca -0.12 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 45.67 1qjx n GLY 90 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1qjx h ILE 91 N 0.00 1.07 -0.16 -0.61 1.08 -1.97 -2.24 117.51 114.68 1qjx h ILE 91 Ca 0.00 -0.23 0.01 0.00 -0.39 0.00 0.00 64.86 64.24 1qjx h ILE 91 Cb 0.00 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 34.07 1qjx h ILE 91 CO 0.00 0.12 0.09 0.15 -0.69 0.00 0.00 178.15 177.82 1qjx h PHE 92 N 0.68 0.17 -0.18 1.37 3.57 -1.73 -1.00 116.94 119.82 1qjx h PHE 92 Ca 0.24 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.77 1qjx h PHE 92 Cb 0.11 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1qjx h PHE 92 CO -0.00 0.10 0.05 0.78 -2.23 0.00 0.00 178.31 177.01 1qjx h GLY 93 N 0.19 0.21 0.65 2.40 0.00 -0.48 -2.12 103.07 103.91 1qjx h GLY 93 Ca 0.06 -0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.42 1qjx h GLY 93 CO -0.03 0.02 0.25 0.83 0.00 0.00 0.00 176.54 177.60 1qjx h GLU 94 N 0.13 0.46 -0.45 4.80 4.39 -1.19 -2.33 114.58 120.39 1qjx h GLU 94 Ca 0.08 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.72 1qjx h GLU 94 Cb 0.06 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1qjx h GLU 94 CO -0.09 0.31 0.15 -0.91 -1.16 0.00 0.00 179.01 177.31 1qjx h ASN 95 N 0.48 0.59 0.81 1.42 2.35 -0.82 -2.04 115.58 118.37 1qjx h ASN 95 Ca 0.24 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1qjx h ASN 95 Cb 0.19 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1qjx h ASN 95 CO -0.19 0.56 0.00 1.15 -1.65 0.00 0.00 177.43 177.30 1qjx n MET 96 N -4.34 0.09 -0.07 0.81 0.00 -0.83 -2.56 117.12 110.23 1qjx n MET 96 Ca 0.03 0.25 -0.04 0.00 0.00 0.00 0.00 57.70 57.94 1qjx n MET 96 Cb 0.17 -1.65 -0.15 0.00 0.00 0.00 0.00 33.22 31.59 1qjx n MET 96 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 1qjx n PHE 97 N -1.82 0.00 0.50 3.17 3.72 -0.84 -4.31 117.46 117.88 1qjx n PHE 97 Ca 0.04 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.57 1qjx n PHE 97 Cb 0.26 -0.78 0.31 0.00 -0.94 0.00 0.00 39.48 38.32 1qjx n PHE 97 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 1qjx h TYR 98 N 0.00 0.00 -3.94 1.38 0.05 -1.35 -0.21 116.97 112.90 1qjx h TYR 98 Ca -0.37 0.00 -0.68 0.00 0.05 0.00 0.00 58.73 57.73 1qjx h TYR 98 Cb 1.81 0.00 -0.22 0.00 1.01 0.00 0.00 36.73 39.33 1qjx h TYR 98 CO 0.00 0.00 -0.81 -1.01 -1.05 0.00 0.00 178.16 175.29 1qjx s HIS 99 N -3.14 2.53 0.00 4.88 3.76 -1.06 -1.39 115.29 120.87 1qjx s HIS 99 Ca 0.09 -0.27 -0.22 0.00 -0.15 0.00 0.00 55.06 54.50 1qjx s HIS 99 Cb 0.10 -1.43 -0.18 0.00 1.11 0.00 0.00 32.58 32.19 1qjx s HIS 99 CO 0.63 0.27 1.24 0.35 -0.85 0.00 0.00 174.74 176.39 1qjx h PHE 100 N 4.37 0.31 -3.18 1.40 3.57 -1.11 -3.46 116.94 118.85 1qjx h PHE 100 Ca -0.48 -0.11 -0.64 0.00 3.53 0.00 0.00 57.97 60.27 1qjx h PHE 100 Cb 1.16 -0.06 -0.09 0.00 2.79 0.00 0.00 35.95 39.75 1qjx h PHE 100 CO 0.55 0.76 -0.60 -0.51 -2.23 0.00 0.00 178.31 176.28 1qjx s LEU 101 N -8.95 3.81 0.07 0.59 1.43 -0.38 -4.04 118.68 111.21 1qjx s LEU 101 Ca -0.15 0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 52.84 1qjx s LEU 101 Cb 0.03 -2.45 0.02 0.00 0.03 0.00 0.00 46.19 43.82 1qjx s LEU 101 CO 0.74 0.19 0.29 -0.83 0.23 0.00 0.00 176.35 176.97 1qjx s GLY 102 N -2.27 -0.09 -0.17 -3.19 0.00 0.29 -1.60 107.32 100.28 1qjx s GLY 102 Ca 0.28 -0.18 -0.13 0.00 0.00 0.00 0.00 44.72 44.69 1qjx s GLY 102 CO 0.21 -0.40 0.44 -1.60 0.00 0.00 0.00 173.10 171.74 1qjx s ARG 103 N -3.18 0.48 -0.11 2.90 3.52 -0.26 -2.24 118.95 120.06 1qjx s ARG 103 Ca -0.01 0.69 -0.30 0.00 -0.13 0.00 0.00 55.73 55.98 1qjx s ARG 103 Cb 0.01 0.15 0.12 0.00 -1.56 0.00 0.00 34.95 33.68 1qjx s ARG 103 CO -0.07 -0.10 0.98 0.45 -0.81 0.00 0.00 175.30 175.75 1qjx s SER 104 N 0.67 -0.35 0.51 -2.12 0.15 -1.26 -1.28 113.70 110.02 1qjx s SER 104 Ca -0.04 0.25 0.05 0.00 0.70 0.00 0.00 55.95 56.91 1qjx s SER 104 Cb -0.05 0.32 0.01 0.00 -1.71 0.00 0.00 66.02 64.59 1qjx s SER 104 CO -0.05 -0.42 0.27 -0.83 1.20 0.00 0.00 173.24 173.41 1qjx s GLY 105 N -1.61 2.52 0.07 9.45 0.00 -0.24 -4.16 107.32 113.35 1qjx s GLY 105 Ca 0.01 -1.18 -0.12 0.00 0.00 0.00 0.00 44.72 43.43 1qjx s GLY 105 CO -0.02 -1.99 0.26 -0.19 0.00 0.00 0.00 173.10 171.16 1qjx s TYR 106 N -2.76 -0.01 -0.19 1.90 2.02 -0.47 -0.06 117.35 117.78 1qjx s TYR 106 Ca 0.28 -0.27 -0.00 0.00 -0.37 0.00 0.00 57.07 56.71 1qjx s TYR 106 Cb -0.00 0.05 0.01 0.00 -0.40 0.00 0.00 41.96 41.61 1qjx s TYR 106 CO 0.17 -0.54 -0.15 0.99 -1.57 0.00 0.00 175.55 174.45 1qjx s THR 107 N -3.20 2.49 -0.21 -0.71 2.01 -0.07 -0.59 115.64 115.35 1qjx s THR 107 Ca -0.00 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.16 1qjx s THR 107 Cb 0.02 -2.08 -0.01 0.00 0.01 0.00 0.00 72.50 70.44 1qjx s THR 107 CO -0.07 0.50 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.63 1qjx s VAL 108 N 1.31 3.50 -0.27 3.82 1.01 0.16 -1.25 120.40 128.69 1qjx s VAL 108 Ca 0.05 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1qjx s VAL 108 Cb -0.14 -2.59 0.06 0.00 0.00 0.00 0.00 36.38 33.72 1qjx s VAL 108 CO -0.09 0.42 -0.10 -2.28 0.00 0.00 0.00 175.10 173.06 1qjx s HIS 109 N 1.34 3.31 -0.16 5.22 2.46 -0.00 -0.95 115.29 126.51 1qjx s HIS 109 Ca 0.04 -2.38 -0.14 0.00 0.47 0.00 0.00 55.06 53.05 1qjx s HIS 109 Cb -0.14 -2.01 -0.05 0.00 -0.13 0.00 0.00 32.58 30.25 1qjx s HIS 109 CO -0.02 -0.89 0.30 0.08 -2.47 0.00 0.00 174.74 171.75 1qjx s VAL 110 N 1.08 5.30 -0.07 0.89 1.01 0.03 -1.53 120.40 127.11 1qjx s VAL 110 Ca -0.07 0.57 0.03 0.00 0.00 0.00 0.00 61.98 62.51 1qjx s VAL 110 Cb -0.20 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1qjx s VAL 110 CO -0.05 0.38 -0.16 -1.10 0.00 0.00 0.00 175.10 174.17 1qjx s GLN 111 N 0.49 2.74 -0.29 2.72 -0.21 0.18 -1.39 119.66 123.90 1qjx s GLN 111 Ca 0.17 -0.74 -0.01 0.00 0.02 0.00 0.00 55.36 54.80 1qjx s GLN 111 Cb -0.13 -2.40 0.19 0.00 1.00 0.00 0.00 33.01 31.67 1qjx s GLN 111 CO 0.04 0.47 0.76 0.00 -2.12 0.00 0.00 175.29 174.44 1qjx s ASN 113 N 2.88 5.26 0.00 0.00 4.22 -1.26 -4.47 114.94 121.56 1qjx s ASN 113 Ca 0.16 -0.12 0.00 0.00 -2.14 0.00 0.00 52.86 50.76 1qjx s ASN 113 Cb -0.08 -1.32 0.00 0.00 1.28 0.00 0.00 41.25 41.13 1qjx s ASN 113 CO -0.24 0.15 0.00 0.00 -2.04 0.00 0.00 177.10 174.97 1qjx n ALA 114 N 0.36 0.00 -3.69 3.54 0.00 -1.26 -4.81 120.51 114.64 1qjx n ALA 114 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.26 1qjx n ALA 114 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 1qjx n ALA 114 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qjx s SER 115 N 1.00 -0.31 0.00 0.00 1.04 -1.26 -5.00 113.70 109.17 1qjx s SER 115 Ca 0.00 -0.51 0.02 0.00 0.48 0.00 0.00 55.95 55.94 1qjx s SER 115 Cb 0.00 0.69 0.12 0.00 0.10 0.00 0.00 66.02 66.92 1qjx s SER 115 CO 0.00 -1.24 0.83 0.29 0.98 0.00 0.00 173.24 174.10 1qjx n LYS 116 N -0.43 0.75 -0.02 4.02 5.02 -1.26 -1.83 118.16 124.41 1qjx n LYS 116 Ca -0.07 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.23 1qjx n LYS 116 Cb 0.61 -1.04 0.02 0.00 -0.02 0.00 0.00 35.03 34.59 1qjx n LYS 116 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1qjx n PHE 117 N -0.54 0.00 -4.15 2.13 3.01 -1.26 -5.01 117.46 111.63 1qjx n PHE 117 Ca 0.01 -0.47 -0.22 0.00 1.01 0.00 0.00 57.45 57.78 1qjx n PHE 117 Cb 0.01 -0.05 -0.06 0.00 -0.01 0.00 0.00 39.48 39.37 1qjx n PHE 117 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1qjx s HIS 118 N -1.04 2.85 -0.01 1.38 3.76 -0.76 -4.49 115.29 116.98 1qjx s HIS 118 Ca 0.04 -0.23 -0.15 0.00 -0.15 0.00 0.00 55.06 54.57 1qjx s HIS 118 Cb 0.03 -1.41 0.02 0.00 1.11 0.00 0.00 32.58 32.34 1qjx s HIS 118 CO 0.00 0.49 0.31 1.14 -0.85 0.00 0.00 174.74 175.83 1qjx s GLN 119 N -3.79 0.67 0.00 1.40 -2.07 -0.63 -4.67 119.66 110.58 1qjx s GLN 119 Ca 0.34 -0.20 0.00 0.00 -1.82 0.00 0.00 55.36 53.68 1qjx s GLN 119 Cb -0.06 0.30 0.00 0.00 -1.09 0.00 0.00 33.01 32.16 1qjx s GLN 119 CO 0.23 -0.19 0.00 0.41 -1.32 0.00 0.00 175.29 174.42 1qjx n GLY 120 N 1.26 2.94 3.04 2.60 0.00 -1.26 -1.17 105.19 112.60 1qjx n GLY 120 Ca -0.22 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.78 1qjx n GLY 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qjx s THR 121 N -2.00 -0.14 -0.11 2.61 2.01 -0.32 -1.82 115.64 115.88 1qjx s THR 121 Ca 0.00 0.19 -0.02 0.00 0.31 0.00 0.00 61.69 62.17 1qjx s THR 121 Cb 0.00 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 72.08 1qjx s THR 121 CO 0.00 0.08 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.23 1qjx s LEU 122 N 1.59 3.44 -0.31 4.42 1.43 -0.49 -0.70 118.68 128.05 1qjx s LEU 122 Ca -0.06 0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 1qjx s LEU 122 Cb -0.11 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1qjx s LEU 122 CO -0.08 0.31 0.20 -0.22 0.23 0.00 0.00 176.35 176.78 1qjx s LEU 123 N -0.46 4.23 -0.27 1.79 2.96 -0.02 -1.04 118.68 125.86 1qjx s LEU 123 Ca 0.08 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.61 1qjx s LEU 123 Cb -0.12 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 1qjx s LEU 123 CO 0.02 -0.16 0.09 -0.69 -1.32 0.00 0.00 176.35 174.29 1qjx s VAL 124 N 1.71 4.31 0.05 1.68 1.01 0.00 -1.73 120.40 127.43 1qjx s VAL 124 Ca 0.06 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.76 1qjx s VAL 124 Cb -0.17 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1qjx s VAL 124 CO 0.09 0.22 -0.17 -0.69 0.00 0.00 0.00 175.10 174.55 1qjx s VAL 125 N 1.59 1.36 -0.27 2.92 1.01 -0.06 -1.33 120.40 125.62 1qjx s VAL 125 Ca 0.05 -1.18 -0.02 0.00 0.00 0.00 0.00 61.98 60.84 1qjx s VAL 125 Cb -0.16 -1.23 0.04 0.00 0.00 0.00 0.00 36.38 35.03 1qjx s VAL 125 CO 0.04 0.02 -0.04 -0.04 0.00 0.00 0.00 175.10 175.09 1qjx s MET 126 N -1.34 2.67 -0.16 2.72 -1.94 -0.68 -0.79 119.30 119.78 1qjx s MET 126 Ca 0.04 -1.10 -0.03 0.00 -1.71 0.00 0.00 55.69 52.89 1qjx s MET 126 Cb -0.09 -3.06 -0.02 0.00 2.01 0.00 0.00 34.83 33.67 1qjx s MET 126 CO 0.02 -0.49 -0.06 0.42 -0.01 0.00 0.00 175.02 174.91 1qjx s ILE 127 N 1.29 3.69 0.04 2.53 1.01 0.24 -3.99 121.20 126.01 1qjx s ILE 127 Ca -0.02 -0.43 -0.24 0.00 0.00 0.00 0.00 60.65 59.96 1qjx s ILE 127 Cb -0.18 -2.61 -0.06 0.00 0.01 0.00 0.00 42.46 39.63 1qjx s ILE 127 CO -0.03 0.49 0.72 -2.16 0.00 0.00 0.00 174.94 173.96 1qjx s PRO 128 N 0.45 4.45 -1.06 2.79 0.04 -1.26 -0.67 135.00 139.73 1qjx s PRO 128 Ca -0.05 0.97 -0.17 0.00 0.04 0.00 0.00 61.00 61.79 1qjx s PRO 128 Cb -0.15 -3.35 -0.00 0.00 0.04 0.00 0.00 34.50 31.04 1qjx s PRO 128 CO 0.03 0.33 0.76 0.39 0.04 0.00 0.00 177.00 178.55 1qjx n GLU 129 N 2.68 -1.20 -2.68 4.56 -0.58 -0.45 -4.85 120.64 118.13 1qjx n GLU 129 Ca -0.04 0.58 -0.43 0.00 -0.42 0.00 0.00 57.16 56.85 1qjx n GLU 129 Cb 0.50 -3.95 -0.01 0.00 -0.57 0.00 0.00 31.44 27.42 1qjx n GLU 129 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1qjx s HIS 130 N -3.36 2.88 -0.76 -0.32 2.46 -1.26 -4.93 115.29 110.00 1qjx s HIS 130 Ca 0.37 -1.46 -0.26 0.00 0.47 0.00 0.00 55.06 54.18 1qjx s HIS 130 Cb -0.14 -4.60 0.02 0.00 -0.13 0.00 0.00 32.58 27.73 1qjx s HIS 130 CO 0.86 -1.73 1.43 -1.14 -2.47 0.00 0.00 174.74 171.69 1qjx s GLN 131 N 3.78 3.12 0.72 2.88 0.74 -1.26 -4.98 119.66 124.66 1qjx s GLN 131 Ca 0.47 -0.21 -0.15 0.00 0.05 0.00 0.00 55.36 55.52 1qjx s GLN 131 Cb 0.01 -4.40 0.04 0.00 1.10 0.00 0.00 33.01 29.75 1qjx s GLN 131 CO -0.01 -2.30 1.20 -0.51 -0.55 0.00 0.00 175.29 173.12 1qjx s LEU 132 N 6.38 3.33 0.36 3.68 1.43 -1.26 -4.80 118.68 127.80 1qjx s LEU 132 Ca 0.43 2.35 0.08 0.00 -1.03 0.00 0.00 54.13 55.96 1qjx s LEU 132 Cb -0.08 -4.59 -0.05 0.00 0.03 0.00 0.00 46.19 41.51 1qjx s LEU 132 CO 0.12 -2.22 0.13 0.00 0.23 0.00 0.00 176.35 174.61 1qjx s ALA 133 N -1.98 3.47 0.09 4.21 0.00 -0.51 -4.70 121.76 122.34 1qjx s ALA 133 Ca 0.74 -1.94 0.09 0.00 0.00 0.00 0.00 51.96 50.85 1qjx s ALA 133 Cb -0.29 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1qjx s ALA 133 CO 0.45 -0.02 -0.20 0.95 0.00 0.00 0.00 175.76 176.94 1qjx s THR 134 N -2.49 2.69 -0.10 0.00 -4.23 -1.26 0.44 115.64 110.69 1qjx s THR 134 Ca 0.38 -1.42 -0.04 0.00 -1.18 0.00 0.00 61.69 59.43 1qjx s THR 134 Cb -0.00 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 1qjx s THR 134 CO 0.22 0.20 0.05 -0.69 -0.54 0.00 0.00 174.62 173.86 1qjx s VAL 135 N -1.03 4.75 -1.61 2.29 1.01 -1.26 -4.60 120.40 119.94 1qjx s VAL 135 Ca 0.16 -0.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.87 1qjx s VAL 135 Cb -0.10 -3.03 0.17 0.00 0.00 0.00 0.00 36.38 33.42 1qjx s VAL 135 CO 0.07 0.61 0.64 0.59 0.00 0.00 0.00 175.10 177.01 1qjx n ASN 136 N 2.10 -2.68 -0.73 3.32 3.02 -1.26 -4.82 115.26 114.21 1qjx n ASN 136 Ca -0.19 -0.93 0.06 0.00 -0.03 0.00 0.00 54.58 53.49 1qjx n ASN 136 Cb 0.54 -2.25 0.13 0.00 -0.61 0.00 0.00 39.78 37.59 1qjx n ASN 136 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qjx n LYS 137 N -4.06 0.99 0.00 3.52 5.02 -1.26 -5.10 118.16 117.26 1qjx n LYS 137 Ca 0.08 -2.64 0.00 0.00 -2.02 0.00 0.00 58.31 53.73 1qjx n LYS 137 Cb 0.48 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.40 1qjx n LYS 137 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qjx n GLY 138 N -0.66 2.70 1.76 0.72 0.00 -1.26 -2.61 105.19 105.83 1qjx n GLY 138 Ca 0.13 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 1qjx n GLY 138 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qjx n ASN 139 N 1.96 4.00 -4.68 1.61 0.23 -1.26 -4.90 115.26 112.22 1qjx n ASN 139 Ca 0.00 -2.98 -0.41 0.00 -0.53 0.00 0.00 54.58 50.66 1qjx n ASN 139 Cb 0.00 -0.70 -0.04 0.00 -2.08 0.00 0.00 39.78 36.96 1qjx n ASN 139 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1qjx s VAL 140 N -2.40 4.91 0.22 3.53 1.01 -1.07 -5.05 120.40 121.55 1qjx s VAL 140 Ca 0.42 1.66 0.05 0.00 0.00 0.00 0.00 61.98 64.10 1qjx s VAL 140 Cb 0.34 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1qjx s VAL 140 CO 0.10 0.09 0.33 0.20 0.00 0.00 0.00 175.10 175.82 1qjx s ASN 141 N 1.07 6.27 -0.03 3.32 0.01 -1.26 -4.65 114.94 119.67 1qjx s ASN 141 Ca 0.40 0.07 -0.37 0.00 -0.71 0.00 0.00 52.86 52.25 1qjx s ASN 141 Cb -0.17 -1.84 -0.16 0.00 0.41 0.00 0.00 41.25 39.49 1qjx s ASN 141 CO 0.15 -0.04 1.53 0.00 -1.51 0.00 0.00 177.10 177.24 1qjx n ALA 142 N -1.21 -0.30 -1.78 0.60 0.00 -1.26 -4.79 120.51 111.77 1qjx n ALA 142 Ca -0.09 0.45 -0.36 0.00 0.00 0.00 0.00 53.44 53.44 1qjx n ALA 142 Cb 0.56 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.79 1qjx n ALA 142 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1qjx s GLY 143 N 1.74 2.73 0.21 0.00 0.00 -0.59 -4.92 107.32 106.48 1qjx s GLY 143 Ca 0.89 0.75 -0.19 0.00 0.00 0.00 0.00 44.72 46.16 1qjx s GLY 143 CO 0.52 1.17 1.57 -1.82 0.00 0.00 0.00 173.10 174.54 1qjx h TYR 144 N 2.33 -0.98 -0.96 1.90 5.03 -1.91 -0.02 116.97 122.36 1qjx h TYR 144 Ca -0.49 0.09 0.17 0.00 2.58 0.00 0.00 58.73 61.08 1qjx h TYR 144 Cb 1.22 0.54 -0.10 0.00 1.55 0.00 0.00 36.73 39.94 1qjx h TYR 144 CO 0.57 -0.39 0.56 -0.22 -1.32 0.00 0.00 178.16 177.36 1qjx h LYS 145 N -0.10 0.72 0.00 1.82 3.64 -1.92 -1.77 116.57 118.96 1qjx h LYS 145 Ca 0.28 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.55 1qjx h LYS 145 Cb 0.57 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1qjx h LYS 145 CO -0.80 0.47 -0.31 1.88 -2.27 0.00 0.00 179.45 178.42 1qjx h TYR 146 N 0.74 0.00 -0.62 1.91 0.05 -1.33 -2.89 116.97 114.83 1qjx h TYR 146 Ca 0.54 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.32 1qjx h TYR 146 Cb 0.81 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.55 1qjx h TYR 146 CO -0.03 0.31 0.00 0.25 -1.05 0.00 0.00 178.16 177.64 1qjx n THR 147 N -3.41 2.17 -2.81 -2.88 -2.24 -0.69 -4.33 114.28 100.09 1qjx n THR 147 Ca 0.00 -1.25 -0.14 0.00 -2.27 0.00 0.00 64.05 60.39 1qjx n THR 147 Cb 0.51 -0.04 0.01 0.00 -2.10 0.00 0.00 70.33 68.70 1qjx n THR 147 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1qjx n HIS 148 N 0.94 1.22 0.73 4.78 8.25 -1.04 -4.90 115.22 125.20 1qjx n HIS 148 Ca 0.26 -3.18 0.08 0.00 -0.26 0.00 0.00 57.72 54.62 1qjx n HIS 148 Cb 1.01 -0.37 0.39 0.00 1.12 0.00 0.00 29.99 32.14 1qjx n HIS 148 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1qjx n PRO 149 N -0.01 0.20 0.00 -0.41 -0.04 -1.26 -4.95 135.00 128.53 1qjx n PRO 149 Ca 0.18 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1qjx n PRO 149 Cb 0.74 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1qjx n PRO 149 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qjx n GLY 150 N 0.07 -0.04 0.35 0.55 0.00 -1.26 -3.49 105.19 101.38 1qjx n GLY 150 Ca 0.07 -1.02 0.18 0.00 0.00 0.00 0.00 46.02 45.25 1qjx n GLY 150 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1qjx h GLU 151 N 0.00 0.00 0.00 1.61 4.11 -1.78 -0.27 114.58 118.24 1qjx h GLU 151 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 1qjx h GLU 151 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1qjx h GLU 151 CO 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 179.01 178.77 1qjx h ALA 152 N 1.59 1.20 -1.55 1.06 0.00 -1.90 -3.35 119.26 116.30 1qjx h ALA 152 Ca 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1qjx h ALA 152 Cb 0.70 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1qjx h ALA 152 CO -0.00 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.05 1qjx n GLY 153 N -0.23 -0.48 3.21 0.00 0.00 -0.11 -4.76 105.19 102.82 1qjx n GLY 153 Ca -0.01 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 1qjx n GLY 153 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qjx s ARG 154 N 0.00 2.81 -0.52 1.61 6.06 0.00 -4.86 118.95 124.04 1qjx s ARG 154 Ca 0.00 -0.84 -0.20 0.00 -2.50 0.00 0.00 55.73 52.20 1qjx s ARG 154 Cb 0.00 -2.18 0.06 0.00 0.06 0.00 0.00 34.95 32.90 1qjx s ARG 154 CO 0.00 0.20 0.67 -1.21 -2.50 0.00 0.00 175.30 172.47 1qjx s GLU 155 N 0.27 3.13 0.26 5.12 2.02 -1.26 -2.14 118.70 126.10 1qjx s GLU 155 Ca -0.15 -0.88 -0.31 0.00 0.02 0.00 0.00 54.97 53.64 1qjx s GLU 155 Cb -0.17 -4.12 -0.12 0.00 0.10 0.00 0.00 34.13 29.82 1qjx s GLU 155 CO 0.07 -1.30 1.56 0.28 0.02 0.00 0.00 175.26 175.90 1qjx n VAL 156 N 5.67 0.83 -1.07 2.63 0.31 0.05 -2.95 118.33 123.80 1qjx n VAL 156 Ca -0.06 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1qjx n VAL 156 Cb 0.45 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.58 1qjx n VAL 156 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qjx n GLY 157 N 2.43 0.51 0.69 2.92 0.00 -1.26 -4.34 105.19 106.14 1qjx n GLY 157 Ca 0.11 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1qjx n GLY 157 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qjx n THR 158 N -3.03 0.00 -1.69 2.61 -2.24 -1.15 -5.04 114.28 103.73 1qjx n THR 158 Ca 0.00 0.00 -0.55 0.00 -2.27 0.00 0.00 64.05 61.23 1qjx n THR 158 Cb 0.11 -1.07 -0.07 0.00 -2.10 0.00 0.00 70.33 67.20 1qjx n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qjx n GLN 159 N -2.76 1.33 -2.05 -0.78 1.13 -1.26 -4.86 117.38 108.13 1qjx n GLN 159 Ca 0.00 0.48 -0.43 0.00 -1.94 0.00 0.00 57.00 55.12 1qjx n GLN 159 Cb 0.46 -2.19 -0.03 0.00 0.11 0.00 0.00 30.24 28.59 1qjx n GLN 159 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1qjx s VAL 160 N 3.18 3.55 0.34 5.09 1.01 -1.26 -4.91 120.40 127.40 1qjx s VAL 160 Ca 0.95 0.57 -0.21 0.00 0.00 0.00 0.00 61.98 63.30 1qjx s VAL 160 Cb -0.99 -3.69 -0.15 0.00 0.00 0.00 0.00 36.38 31.55 1qjx s VAL 160 CO 0.61 -0.41 0.15 -0.62 0.00 0.00 0.00 175.10 174.82 1qjx n GLU 161 N 8.23 0.00 -3.85 2.72 1.02 -1.26 -5.03 120.64 122.47 1qjx n GLU 161 Ca 0.22 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.26 1qjx n GLU 161 Cb 0.46 -0.92 -0.08 0.00 -0.02 0.00 0.00 31.44 30.88 1qjx n GLU 161 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1qjx s ASN 162 N -0.92 0.06 0.18 1.62 3.84 -1.26 -5.05 114.94 113.42 1qjx s ASN 162 Ca 0.55 -0.44 -0.18 0.00 0.21 0.00 0.00 52.86 53.00 1qjx s ASN 162 Cb -0.63 0.30 0.14 0.00 -0.55 0.00 0.00 41.25 40.50 1qjx s ASN 162 CO 0.57 -0.59 1.61 -0.08 -2.79 0.00 0.00 177.10 175.82 1qjx h GLU 163 N 3.31 -0.12 -0.73 0.43 4.81 -2.02 -0.31 114.58 119.94 1qjx h GLU 163 Ca -0.33 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1qjx h GLU 163 Cb 1.19 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1qjx h GLU 163 CO 0.50 -0.08 0.00 1.63 -0.73 0.00 0.00 179.01 180.33 1qjx n LYS 164 N -5.42 1.86 -2.52 1.92 4.76 -1.26 -4.87 118.16 112.64 1qjx n LYS 164 Ca 0.04 -0.77 -0.41 0.00 -2.87 0.00 0.00 58.31 54.30 1qjx n LYS 164 Cb 0.33 -1.57 -0.04 0.00 -1.84 0.00 0.00 35.03 31.91 1qjx n LYS 164 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1qjx s GLN 165 N -1.51 4.54 0.97 1.97 2.00 -0.13 -1.54 119.66 125.95 1qjx s GLN 165 Ca 0.13 1.68 -0.13 0.00 -2.00 0.00 0.00 55.36 55.05 1qjx s GLN 165 Cb 0.10 -3.33 0.17 0.00 0.80 0.00 0.00 33.01 30.75 1qjx s GLN 165 CO 0.05 -0.05 1.13 -1.25 -0.50 0.00 0.00 175.29 174.67 1qjx s PRO 166 N 0.34 0.65 0.53 1.67 0.05 -1.26 -4.71 135.00 132.27 1qjx s PRO 166 Ca 0.53 0.27 -0.21 0.00 0.05 0.00 0.00 61.00 61.63 1qjx s PRO 166 Cb -0.28 -1.78 -0.05 0.00 0.05 0.00 0.00 34.50 32.43 1qjx s PRO 166 CO 0.32 -2.53 1.26 0.45 0.05 0.00 0.00 177.00 176.55 1qjx s SER 167 N -3.90 5.53 -0.10 6.66 0.15 0.17 -4.87 113.70 117.33 1qjx s SER 167 Ca 0.66 2.53 0.15 0.00 0.70 0.00 0.00 55.95 59.98 1qjx s SER 167 Cb -0.15 -2.62 0.25 0.00 -1.71 0.00 0.00 66.02 61.80 1qjx s SER 167 CO 0.55 -1.37 1.15 0.47 1.20 0.00 0.00 173.24 175.23 1qjx n ASP 168 N -0.99 2.43 -4.55 5.45 9.92 -1.26 -4.81 116.55 122.75 1qjx n ASP 168 Ca 0.10 -2.82 -0.41 0.00 -0.53 0.00 0.00 54.79 51.13 1qjx n ASP 168 Cb 0.47 -0.34 -0.03 0.00 -0.64 0.00 0.00 41.12 40.58 1qjx n ASP 168 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1qjx s ASP 169 N -2.34 6.27 0.39 -2.24 1.01 -1.26 -4.66 116.67 113.84 1qjx s ASP 169 Ca 0.26 -0.79 0.13 0.00 0.71 0.00 0.00 52.55 52.86 1qjx s ASP 169 Cb 0.22 -2.56 0.80 0.00 1.01 0.00 0.00 42.92 42.40 1qjx s ASP 169 CO 0.03 -1.72 1.88 -0.55 0.21 0.00 0.00 175.17 175.03 1qjx h ASN 170 N 9.93 0.02 0.65 0.27 7.08 -1.93 -1.87 115.58 129.73 1qjx h ASN 170 Ca -0.13 -0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.08 1qjx h ASN 170 Cb 1.04 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 37.27 1qjx h ASN 170 CO 1.32 0.32 0.00 -2.67 -2.08 0.00 0.00 177.43 174.32 1qjx n TRP 171 N -4.18 0.00 -1.05 4.14 4.27 -1.26 -2.27 117.44 117.09 1qjx n TRP 171 Ca -0.02 0.00 0.09 0.00 -3.89 0.00 0.00 57.50 53.68 1qjx n TRP 171 Cb 0.35 -0.45 0.19 0.00 -1.36 0.00 0.00 31.31 30.04 1qjx n TRP 171 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 1qjx n LEU 172 N -1.45 2.98 -1.63 5.67 4.77 -0.83 -1.94 117.00 124.57 1qjx n LEU 172 Ca 0.06 -3.08 -0.13 0.00 -0.03 0.00 0.00 56.01 52.83 1qjx n LEU 172 Cb 0.23 -0.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.79 1qjx n LEU 172 CO 0.19 0.71 -0.14 0.59 -1.33 0.00 0.00 177.39 177.42 1qjx n ASN 173 N -1.07 -3.62 -1.21 -1.43 5.03 -0.96 -1.20 115.26 110.80 1qjx n ASN 173 Ca 0.18 0.29 -0.15 0.00 0.87 0.00 0.00 54.58 55.78 1qjx n ASN 173 Cb 0.75 -3.31 -0.06 0.00 -1.02 0.00 0.00 39.78 36.13 1qjx n ASN 173 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1qjx n PHE 174 N -2.24 -0.06 -1.66 3.10 3.72 -0.77 -4.71 117.46 114.85 1qjx n PHE 174 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1qjx n PHE 174 Cb 0.48 -2.99 0.00 0.00 -0.94 0.00 0.00 39.48 36.03 1qjx n PHE 174 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1qjx n ASP 175 N -1.09 0.00 0.00 4.37 5.68 -0.34 -1.42 116.55 123.75 1qjx n ASP 175 Ca -0.15 -1.13 0.00 0.00 -0.50 0.00 0.00 54.79 53.01 1qjx n ASP 175 Cb 0.60 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 1qjx n ASP 175 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qjx n GLY 176 N 0.00 0.69 3.30 6.12 0.00 -0.44 -4.86 105.19 110.01 1qjx n GLY 176 Ca 0.00 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 1qjx n GLY 176 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qjx s THR 177 N -2.00 1.69 0.19 2.61 -4.23 -1.00 -5.04 115.64 107.86 1qjx s THR 177 Ca 0.00 -1.75 -0.30 0.00 -1.18 0.00 0.00 61.69 58.46 1qjx s THR 177 Cb 0.00 -1.68 -0.08 0.00 1.34 0.00 0.00 72.50 72.08 1qjx s THR 177 CO 0.00 -0.25 1.08 -0.76 -0.54 0.00 0.00 174.62 174.15 1qjx s LEU 178 N -2.37 4.51 0.36 4.79 1.43 -1.26 -2.77 118.68 123.37 1qjx s LEU 178 Ca 0.11 2.07 0.09 0.00 -1.03 0.00 0.00 54.13 55.38 1qjx s LEU 178 Cb -0.07 -3.61 0.84 0.00 0.03 0.00 0.00 46.19 43.38 1qjx s LEU 178 CO 0.05 -0.17 1.88 0.25 0.23 0.00 0.00 176.35 178.59 1qjx h LEU 179 N 4.96 0.63 -0.84 1.79 5.85 -1.65 -2.06 115.31 123.99 1qjx h LEU 179 Ca -0.44 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1qjx h LEU 179 Cb 1.21 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1qjx h LEU 179 CO 0.72 0.33 0.00 0.61 -0.34 0.00 0.00 178.44 179.75 1qjx n GLY 180 N -1.44 -0.88 1.18 3.75 0.00 -1.26 -1.72 105.19 104.82 1qjx n GLY 180 Ca 0.17 0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.39 1qjx n GLY 180 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qjx n ASN 181 N -2.02 3.83 0.25 1.61 3.02 -0.77 -4.29 115.26 116.89 1qjx n ASN 181 Ca 0.00 -2.13 0.13 0.00 -0.03 0.00 0.00 54.58 52.55 1qjx n ASN 181 Cb 0.08 -0.44 0.64 0.00 -0.61 0.00 0.00 39.78 39.45 1qjx n ASN 181 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1qjx h LEU 182 N 3.53 0.00 0.00 3.41 3.38 -1.47 -2.81 115.31 121.35 1qjx h LEU 182 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qjx h LEU 182 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1qjx h LEU 182 CO 0.05 0.14 0.01 0.18 0.09 0.00 0.00 178.44 178.92 1qjx n LEU 183 N -3.43 0.00 0.00 1.67 4.32 -1.26 -0.74 117.00 117.56 1qjx n LEU 183 Ca -0.01 0.45 0.13 0.00 -0.02 0.00 0.00 56.01 56.56 1qjx n LEU 183 Cb 0.31 -0.45 0.59 0.00 -1.62 0.00 0.00 43.42 42.25 1qjx n LEU 183 CO 0.30 -0.45 0.92 0.00 -1.22 0.00 0.00 177.39 176.94 1qjx n ILE 184 N -1.45 0.20 -4.05 -0.08 0.13 -1.06 -4.74 119.36 108.30 1qjx n ILE 184 Ca 0.00 0.05 -0.25 0.00 -1.10 0.00 0.00 62.75 61.45 1qjx n ILE 184 Cb 0.01 -0.61 -0.04 0.00 -0.84 0.00 0.00 39.64 38.16 1qjx n ILE 184 CO 0.00 0.00 0.00 -0.36 2.80 0.00 0.00 176.55 178.99 1qjx s PHE 185 N -2.87 3.23 0.07 9.51 0.08 0.08 -5.04 117.98 123.04 1qjx s PHE 185 Ca 0.16 -0.02 -0.35 0.00 0.12 0.00 0.00 56.93 56.85 1qjx s PHE 185 Cb 0.17 -1.52 -0.14 0.00 -0.57 0.00 0.00 43.02 40.96 1qjx s PHE 185 CO 0.45 0.51 1.61 -2.30 -0.10 0.00 0.00 175.22 175.39 1qjx n PRO 186 N -0.70 1.90 -3.90 0.24 -0.02 -1.26 -4.84 135.00 126.43 1qjx n PRO 186 Ca -0.08 0.69 -0.09 0.00 -2.02 0.00 0.00 63.50 62.00 1qjx n PRO 186 Cb 0.56 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 1qjx n PRO 186 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1qjx s HIS 187 N 1.67 0.20 0.25 6.00 -3.43 -1.26 -1.69 115.29 117.03 1qjx s HIS 187 Ca 0.84 -0.70 -0.18 0.00 -0.80 0.00 0.00 55.06 54.22 1qjx s HIS 187 Cb -0.76 0.55 0.02 0.00 -1.43 0.00 0.00 32.58 30.96 1qjx s HIS 187 CO 0.44 -1.31 0.61 -0.65 -2.00 0.00 0.00 174.74 171.83 1qjx s GLN 188 N -3.21 1.62 0.06 -0.38 -0.21 -0.44 -4.93 119.66 112.16 1qjx s GLN 188 Ca 0.18 -1.02 0.08 0.00 0.02 0.00 0.00 55.36 54.61 1qjx s GLN 188 Cb -0.04 0.55 -0.03 0.00 1.00 0.00 0.00 33.01 34.49 1qjx s GLN 188 CO 0.11 -0.71 -0.21 -0.06 -2.12 0.00 0.00 175.29 172.29 1qjx s PHE 189 N -3.93 1.86 -0.45 0.91 0.08 -1.26 -0.82 117.98 114.37 1qjx s PHE 189 Ca 0.14 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.78 1qjx s PHE 189 Cb -0.03 -1.09 0.12 0.00 -0.57 0.00 0.00 43.02 41.45 1qjx s PHE 189 CO 0.05 0.12 0.24 0.42 -0.10 0.00 0.00 175.22 175.95 1qjx s ILE 190 N -0.88 3.23 -0.47 0.64 1.01 -0.21 -4.88 121.20 119.65 1qjx s ILE 190 Ca 0.08 -2.31 -0.15 0.00 0.00 0.00 0.00 60.65 58.26 1qjx s ILE 190 Cb -0.09 -3.21 0.07 0.00 0.01 0.00 0.00 42.46 39.24 1qjx s ILE 190 CO 0.02 -0.72 0.39 0.21 0.00 0.00 0.00 174.94 174.84 1qjx s ASN 191 N 1.43 6.15 0.57 3.58 2.47 -1.26 -1.40 114.94 126.47 1qjx s ASN 191 Ca 0.11 -1.29 0.42 0.00 0.42 0.00 0.00 52.86 52.51 1qjx s ASN 191 Cb -0.22 -2.18 1.50 0.00 -1.45 0.00 0.00 41.25 38.89 1qjx s ASN 191 CO -0.04 -0.64 1.55 -0.07 -3.72 0.00 0.00 177.10 174.18 1qjx h LEU 192 N 8.76 0.00 -0.48 3.21 3.38 -1.53 0.76 115.31 129.41 1qjx h LEU 192 Ca -0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1qjx h LEU 192 Cb 1.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1qjx h LEU 192 CO 0.87 0.00 -0.07 0.08 0.09 0.00 0.00 178.44 179.41 1qjx h ARG 193 N 0.00 0.00 0.00 1.13 0.11 -1.83 -3.39 114.38 110.40 1qjx h ARG 193 Ca 0.75 0.00 -0.25 0.00 0.10 0.00 0.00 59.98 60.57 1qjx h ARG 193 Cb 3.26 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 34.30 1qjx h ARG 193 CO -0.01 0.07 -1.86 0.43 0.10 0.00 0.00 179.97 178.70 1qjx n SER 194 N -3.13 1.48 -4.19 0.08 7.64 0.26 -5.09 113.62 110.65 1qjx n SER 194 Ca 0.03 0.13 -0.12 0.00 1.01 0.00 0.00 58.87 59.92 1qjx n SER 194 Cb 0.48 -0.41 -0.10 0.00 -1.01 0.00 0.00 64.21 63.18 1qjx n SER 194 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1qjx s ASN 195 N -6.18 0.96 -0.07 6.43 4.22 -0.78 -4.78 114.94 114.75 1qjx s ASN 195 Ca -0.21 -1.13 0.10 0.00 -2.14 0.00 0.00 52.86 49.48 1qjx s ASN 195 Cb 0.08 0.15 0.19 0.00 1.28 0.00 0.00 41.25 42.95 1qjx s ASN 195 CO 0.29 -0.58 1.12 -0.46 -2.04 0.00 0.00 177.10 175.43 1qjx n ASN 196 N -0.14 2.41 -3.62 3.54 0.23 -0.27 -4.19 115.26 113.22 1qjx n ASN 196 Ca -0.08 -2.53 -0.08 0.00 -0.53 0.00 0.00 54.58 51.37 1qjx n ASN 196 Cb 0.63 -0.24 -0.02 0.00 -2.08 0.00 0.00 39.78 38.06 1qjx n ASN 196 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1qjx s SER 197 N -1.83 -0.35 -0.01 0.53 1.04 -1.25 -1.37 113.70 110.46 1qjx s SER 197 Ca 0.19 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.40 1qjx s SER 197 Cb 0.15 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.82 1qjx s SER 197 CO 0.04 -0.92 -0.01 0.00 0.98 0.00 0.00 173.24 173.33 1qjx s ALA 198 N -3.47 0.23 -0.09 5.32 0.00 -0.49 -4.44 121.76 118.82 1qjx s ALA 198 Ca 0.07 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.08 1qjx s ALA 198 Cb -0.02 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1qjx s ALA 198 CO -0.04 -0.01 -0.14 0.99 0.00 0.00 0.00 175.76 176.56 1qjx s THR 199 N 0.44 1.36 -0.05 0.00 2.01 -1.26 -0.79 115.64 117.34 1qjx s THR 199 Ca -0.04 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.40 1qjx s THR 199 Cb -0.07 -1.24 0.02 0.00 0.01 0.00 0.00 72.50 71.22 1qjx s THR 199 CO -0.01 0.41 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.49 1qjx s LEU 200 N 0.85 1.52 -0.20 4.42 1.02 -0.12 -1.82 118.68 124.34 1qjx s LEU 200 Ca -0.10 -0.20 -0.03 0.00 0.02 0.00 0.00 54.13 53.82 1qjx s LEU 200 Cb -0.15 -0.61 -0.00 0.00 0.02 0.00 0.00 46.19 45.44 1qjx s LEU 200 CO 0.01 -0.00 -0.08 -0.63 0.02 0.00 0.00 176.35 175.67 1qjx s ILE 201 N 0.72 3.14 0.02 -0.59 1.09 0.75 0.41 121.20 126.73 1qjx s ILE 201 Ca -0.12 -0.58 0.09 0.00 -1.10 0.00 0.00 60.65 58.94 1qjx s ILE 201 Cb -0.14 -2.40 -0.03 0.00 -1.06 0.00 0.00 42.46 38.83 1qjx s ILE 201 CO 0.02 0.45 -0.26 0.68 -0.10 0.00 0.00 174.94 175.74 1qjx s VAL 202 N 1.30 2.05 0.75 2.92 -7.23 0.24 -0.21 120.40 120.22 1qjx s VAL 202 Ca 0.04 -1.27 -0.05 0.00 -1.81 0.00 0.00 61.98 58.89 1qjx s VAL 202 Cb -0.14 -1.74 0.12 0.00 0.56 0.00 0.00 36.38 35.18 1qjx s VAL 202 CO -0.04 0.42 1.04 -2.16 -0.31 0.00 0.00 175.10 174.05 1qjx s PRO 203 N -1.01 1.64 -0.01 4.82 0.04 -1.25 -1.37 135.00 137.85 1qjx s PRO 203 Ca 0.11 -0.80 -0.30 0.00 0.04 0.00 0.00 61.00 60.04 1qjx s PRO 203 Cb -0.10 -2.22 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 1qjx s PRO 203 CO 0.01 -1.53 1.08 -0.47 0.04 0.00 0.00 177.00 176.13 1qjx s TYR 204 N -3.27 3.49 -0.11 0.56 5.04 -1.26 -4.81 117.35 117.00 1qjx s TYR 204 Ca 0.66 1.49 0.02 0.00 -2.44 0.00 0.00 57.07 56.79 1qjx s TYR 204 Cb -0.06 -3.27 0.02 0.00 0.35 0.00 0.00 41.96 39.00 1qjx s TYR 204 CO 0.45 -0.62 -0.14 0.08 -1.34 0.00 0.00 175.55 173.98 1qjx s VAL 205 N 1.40 1.41 -0.13 3.14 1.01 -1.26 -5.08 120.40 120.90 1qjx s VAL 205 Ca 0.54 -0.59 -0.33 0.00 0.00 0.00 0.00 61.98 61.60 1qjx s VAL 205 Cb -0.24 -1.30 0.13 0.00 0.00 0.00 0.00 36.38 34.97 1qjx s VAL 205 CO 0.26 0.42 1.18 0.21 0.00 0.00 0.00 175.10 177.17 1qjx s ASN 206 N 1.04 -0.15 0.00 3.32 3.84 -1.26 -4.96 114.94 116.76 1qjx s ASN 206 Ca -0.06 -0.04 0.29 0.00 0.21 0.00 0.00 52.86 53.26 1qjx s ASN 206 Cb -0.15 0.19 1.26 0.00 -0.55 0.00 0.00 41.25 42.00 1qjx s ASN 206 CO -0.02 -0.31 1.86 0.00 -2.79 0.00 0.00 177.10 175.84 1qjx n ALA 207 N -0.19 2.60 -2.79 1.71 0.00 -1.26 -4.80 120.51 115.79 1qjx n ALA 207 Ca -0.02 -0.38 -0.15 0.00 0.00 0.00 0.00 53.44 52.88 1qjx n ALA 207 Cb 0.59 -1.25 -0.12 0.00 0.00 0.00 0.00 19.45 18.67 1qjx n ALA 207 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1qjx s VAL 208 N -1.99 0.70 0.49 0.00 -7.23 -1.26 -5.07 120.40 106.04 1qjx s VAL 208 Ca 0.40 -0.97 0.14 0.00 -1.81 0.00 0.00 61.98 59.74 1qjx s VAL 208 Cb 0.21 -0.70 0.26 0.00 0.56 0.00 0.00 36.38 36.71 1qjx s VAL 208 CO 0.34 -0.22 2.12 1.55 -0.31 0.00 0.00 175.10 178.57 1qjx h PRO 209 N 4.76 0.13 -3.85 4.82 0.13 -1.87 -3.44 132.00 132.68 1qjx h PRO 209 Ca -0.36 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.67 1qjx h PRO 209 Cb 1.20 -0.03 -0.13 0.00 0.13 0.00 0.00 31.00 32.17 1qjx h PRO 209 CO 0.42 0.10 -0.33 -1.64 -0.23 0.00 0.00 178.00 176.32 1qjx s MET 210 N -5.13 1.04 0.30 0.86 -1.94 -1.26 -4.90 119.30 108.27 1qjx s MET 210 Ca -0.06 -1.08 -0.16 0.00 -1.71 0.00 0.00 55.69 52.68 1qjx s MET 210 Cb 0.17 0.37 0.02 0.00 2.01 0.00 0.00 34.83 37.39 1qjx s MET 210 CO 0.69 -0.36 0.64 0.34 -0.01 0.00 0.00 175.02 176.32 1qjx s ASP 211 N -2.93 -0.04 -0.16 3.03 -1.08 -0.95 -4.92 116.67 109.62 1qjx s ASP 211 Ca 0.12 -0.90 -0.29 0.00 -0.52 0.00 0.00 52.55 50.96 1qjx s ASP 211 Cb 0.04 0.71 -0.01 0.00 -1.46 0.00 0.00 42.92 42.20 1qjx s ASP 211 CO -0.04 -1.36 1.11 -0.55 0.52 0.00 0.00 175.17 174.84 1qjx s SER 212 N -3.01 7.09 0.05 -0.34 0.15 -1.26 -0.55 113.70 115.83 1qjx s SER 212 Ca 0.17 1.55 0.28 0.00 0.70 0.00 0.00 55.95 58.65 1qjx s SER 212 Cb -0.04 -2.55 1.06 0.00 -1.71 0.00 0.00 66.02 62.79 1qjx s SER 212 CO 0.10 -0.63 1.84 0.23 1.20 0.00 0.00 173.24 175.97 1qjx n MET 213 N 5.95 0.06 0.07 5.44 2.81 -1.26 -2.09 117.12 128.11 1qjx n MET 213 Ca 0.12 0.05 -0.20 0.00 -1.81 0.00 0.00 57.70 55.86 1qjx n MET 213 Cb 0.46 -1.57 -0.15 0.00 -0.71 0.00 0.00 33.22 31.26 1qjx n MET 213 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1qjx h VAL 214 N 0.00 1.08 -0.01 2.03 2.07 -1.89 -3.39 116.25 116.15 1qjx h VAL 214 Ca 0.00 -2.68 0.00 0.00 0.82 0.00 0.00 66.70 64.84 1qjx h VAL 214 Cb 0.56 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1qjx h VAL 214 CO 0.00 0.83 -0.53 -2.11 0.02 0.00 0.00 177.57 175.78 1qjx n ARG 215 N -3.52 1.69 -3.95 1.57 1.85 -1.22 -4.92 116.66 108.16 1qjx n ARG 215 Ca -0.19 -0.46 -0.28 0.00 -1.00 0.00 0.00 57.85 55.91 1qjx n ARG 215 Cb 1.06 -1.27 -0.17 0.00 -1.05 0.00 0.00 32.46 31.03 1qjx n ARG 215 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1qjx s HIS 216 N -2.20 1.77 -0.34 2.89 2.46 -0.89 -5.08 115.29 113.92 1qjx s HIS 216 Ca 0.10 -0.97 -0.13 0.00 0.47 0.00 0.00 55.06 54.53 1qjx s HIS 216 Cb 0.13 -1.38 -0.02 0.00 -0.13 0.00 0.00 32.58 31.18 1qjx s HIS 216 CO 0.52 -0.59 0.27 -0.80 -2.47 0.00 0.00 174.74 171.68 1qjx s ASN 217 N 1.61 6.09 -0.04 9.88 0.01 -1.26 -4.57 114.94 126.66 1qjx s ASN 217 Ca 0.04 -0.34 -0.23 0.00 -0.71 0.00 0.00 52.86 51.62 1qjx s ASN 217 Cb -0.13 -2.15 -0.24 0.00 0.41 0.00 0.00 41.25 39.14 1qjx s ASN 217 CO -0.09 -0.25 1.03 0.78 -1.51 0.00 0.00 177.10 177.06 1qjx h ASN 218 N 8.47 0.29 -3.34 -1.22 2.35 -1.57 -3.42 115.58 117.14 1qjx h ASN 218 Ca -0.31 -0.78 -0.66 0.00 -0.55 0.00 0.00 56.30 53.99 1qjx h ASN 218 Cb 1.16 -0.09 -0.19 0.00 0.05 0.00 0.00 38.32 39.25 1qjx h ASN 218 CO 0.64 1.04 -0.82 0.26 -1.65 0.00 0.00 177.43 176.91 1qjx s TRP 219 N -3.09 2.36 -0.07 1.19 0.52 -1.15 -1.33 118.94 117.36 1qjx s TRP 219 Ca -0.15 -0.34 0.02 0.00 0.02 0.00 0.00 56.10 55.65 1qjx s TRP 219 Cb 0.01 -1.19 0.02 0.00 -1.15 0.00 0.00 33.47 31.16 1qjx s TRP 219 CO 0.76 0.46 -0.11 -1.12 0.02 0.00 0.00 176.95 176.97 1qjx s SER 220 N -2.54 1.71 -0.30 2.95 0.01 0.16 -0.37 113.70 115.32 1qjx s SER 220 Ca 0.20 -0.28 -0.12 0.00 1.31 0.00 0.00 55.95 57.06 1qjx s SER 220 Cb -0.09 -0.78 -0.04 0.00 0.21 0.00 0.00 66.02 65.32 1qjx s SER 220 CO 0.10 0.01 0.21 -0.22 0.41 0.00 0.00 173.24 173.74 1qjx s LEU 221 N 0.78 4.21 -0.09 2.44 2.96 0.29 -0.59 118.68 128.69 1qjx s LEU 221 Ca -0.12 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 1qjx s LEU 221 Cb -0.15 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 44.40 1qjx s LEU 221 CO 0.02 -0.13 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.06 1qjx s VAL 222 N 1.74 2.67 -0.17 1.68 1.01 0.03 -1.04 120.40 126.32 1qjx s VAL 222 Ca 0.07 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.22 1qjx s VAL 222 Cb -0.17 -2.06 0.04 0.00 0.00 0.00 0.00 36.38 34.20 1qjx s VAL 222 CO 0.11 0.56 -0.06 -0.63 0.00 0.00 0.00 175.10 175.07 1qjx s ILE 223 N -0.04 1.21 -0.14 2.22 1.01 -0.08 -0.88 121.20 124.51 1qjx s ILE 223 Ca -0.05 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 59.91 1qjx s ILE 223 Cb -0.14 -1.37 0.01 0.00 0.01 0.00 0.00 42.46 40.97 1qjx s ILE 223 CO 0.04 0.13 -0.20 -0.63 0.00 0.00 0.00 174.94 174.29 1qjx s ILE 224 N 1.59 1.91 -0.53 2.92 -1.09 -0.71 -1.17 121.20 124.12 1qjx s ILE 224 Ca 0.00 -0.88 -0.29 0.00 -2.23 0.00 0.00 60.65 57.25 1qjx s ILE 224 Cb -0.15 -1.71 0.03 0.00 -1.58 0.00 0.00 42.46 39.04 1qjx s ILE 224 CO -0.08 0.52 1.22 -2.16 -1.23 0.00 0.00 174.94 173.21 1qjx s PRO 225 N 0.94 3.57 0.24 2.79 0.04 -1.26 -0.84 135.00 140.48 1qjx s PRO 225 Ca -0.05 0.44 0.24 0.00 0.04 0.00 0.00 61.00 61.66 1qjx s PRO 225 Cb -0.15 -3.99 0.28 0.00 0.04 0.00 0.00 34.50 30.68 1qjx s PRO 225 CO -0.04 -1.60 1.35 -0.39 0.04 0.00 0.00 177.00 176.36 1qjx h VAL 226 N 6.24 0.00 -3.45 -0.36 -1.51 -1.27 -3.42 116.25 112.48 1qjx h VAL 226 Ca -0.25 -0.79 -0.56 0.00 -1.23 0.00 0.00 66.70 63.87 1qjx h VAL 226 Cb 1.07 1.49 -0.39 0.00 -2.13 0.00 0.00 31.29 31.33 1qjx h VAL 226 CO 1.16 0.00 -0.78 0.00 -1.23 0.00 0.00 177.57 176.72 1qjx n GLN 228 N 4.86 0.76 -2.50 0.00 7.27 -1.26 -1.17 117.38 125.34 1qjx n GLN 228 Ca -0.11 0.27 -0.42 0.00 0.07 0.00 0.00 57.00 56.81 1qjx n GLN 228 Cb 0.46 -1.52 -0.03 0.00 2.41 0.00 0.00 30.24 31.56 1qjx n GLN 228 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1qjx s LEU 229 N 1.52 4.26 0.03 1.69 2.96 -1.26 -4.19 118.68 123.68 1qjx s LEU 229 Ca 0.61 1.75 0.01 0.00 -0.22 0.00 0.00 54.13 56.28 1qjx s LEU 229 Cb -0.73 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 42.38 1qjx s LEU 229 CO 0.58 -0.57 -0.04 -1.10 -1.32 0.00 0.00 176.35 173.90 1qjx s GLN 230 N 2.28 0.37 0.04 1.98 -0.21 -0.32 -4.37 119.66 119.43 1qjx s GLN 230 Ca 0.54 -0.63 -0.27 0.00 0.02 0.00 0.00 55.36 55.02 1qjx s GLN 230 Cb -0.23 -0.03 0.10 0.00 1.00 0.00 0.00 33.01 33.85 1qjx s GLN 230 CO 0.20 -0.02 1.22 -1.54 -2.12 0.00 0.00 175.29 173.03 1qjx s SER 231 N -1.43 -0.02 -0.35 5.90 1.04 -1.26 -1.60 113.70 115.99 1qjx s SER 231 Ca -0.13 -0.31 0.07 0.00 0.48 0.00 0.00 55.95 56.06 1qjx s SER 231 Cb -0.10 0.25 0.53 0.00 0.10 0.00 0.00 66.02 66.80 1qjx s SER 231 CO -0.01 -0.48 1.56 0.59 0.98 0.00 0.00 173.24 175.89 1qjx n ASN 232 N -0.95 3.18 -2.75 7.02 5.03 -1.26 -4.44 115.26 121.09 1qjx n ASN 232 Ca -0.01 -3.77 -0.09 0.00 0.87 0.00 0.00 54.58 51.58 1qjx n ASN 232 Cb 0.60 -0.68 0.08 0.00 -1.02 0.00 0.00 39.78 38.76 1qjx n ASN 232 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1qjx n ASN 233 N -1.09 -0.96 0.32 6.41 5.15 -1.26 -4.99 115.26 118.84 1qjx n ASN 233 Ca 0.41 -2.86 0.20 0.00 -0.60 0.00 0.00 54.58 51.73 1qjx n ASN 233 Cb 1.12 0.70 1.09 0.00 -0.53 0.00 0.00 39.78 42.16 1qjx n ASN 233 CO 0.00 0.00 0.00 0.16 1.40 0.00 0.00 177.26 178.82 1qjx h ILE 234 N 2.33 0.10 0.00 -1.44 3.07 -1.99 -2.39 117.51 117.19 1qjx h ILE 234 Ca -0.16 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.23 1qjx h ILE 234 Cb 1.19 0.93 -0.00 0.00 -0.27 0.00 0.00 36.82 38.66 1qjx h ILE 234 CO 0.17 0.00 -0.11 0.77 -1.05 0.00 0.00 178.15 177.92 1qjx h SER 235 N 0.00 0.00 -3.14 2.16 4.64 -1.98 -3.41 113.55 111.82 1qjx h SER 235 Ca 0.01 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.76 1qjx h SER 235 Cb 0.16 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.20 1qjx h SER 235 CO -0.00 0.11 0.99 0.21 -0.87 0.00 0.00 176.83 177.27 1qjx s ASN 236 N -6.09 6.62 0.16 4.97 3.04 -0.90 -4.97 114.94 117.77 1qjx s ASN 236 Ca -0.02 1.19 -0.31 0.00 0.04 0.00 0.00 52.86 53.76 1qjx s ASN 236 Cb 0.13 -2.54 -0.08 0.00 -1.54 0.00 0.00 41.25 37.22 1qjx s ASN 236 CO 0.58 -1.13 1.33 -0.63 -3.04 0.00 0.00 177.10 174.22 1qjx s ILE 237 N 4.52 3.30 -0.45 -5.21 1.01 -1.26 -5.00 121.20 118.11 1qjx s ILE 237 Ca 0.57 1.00 -0.02 0.00 0.00 0.00 0.00 60.65 62.21 1qjx s ILE 237 Cb -0.17 -3.64 0.12 0.00 0.01 0.00 0.00 42.46 38.78 1qjx s ILE 237 CO 0.24 0.12 0.25 -0.69 0.00 0.00 0.00 174.94 174.86 1qjx s VAL 238 N 0.57 3.27 0.71 2.92 1.01 -1.26 -5.07 120.40 122.55 1qjx s VAL 238 Ca 0.60 -2.32 -0.08 0.00 0.00 0.00 0.00 61.98 60.17 1qjx s VAL 238 Cb -0.36 -3.23 0.05 0.00 0.00 0.00 0.00 36.38 32.84 1qjx s VAL 238 CO 0.34 -0.73 1.04 -2.16 0.00 0.00 0.00 175.10 173.60 1qjx s PRO 239 N 0.81 2.32 -0.08 2.72 0.05 -1.26 -1.69 135.00 137.87 1qjx s PRO 239 Ca 0.11 -0.06 0.03 0.00 0.05 0.00 0.00 61.00 61.13 1qjx s PRO 239 Cb -0.22 -2.12 0.01 0.00 0.05 0.00 0.00 34.50 32.22 1qjx s PRO 239 CO -0.04 -1.22 -0.15 0.42 0.05 0.00 0.00 177.00 176.06 1qjx s ILE 240 N -3.30 1.37 -0.03 0.56 1.01 0.69 -4.60 121.20 116.91 1qjx s ILE 240 Ca 0.59 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 60.69 1qjx s ILE 240 Cb -0.11 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 1qjx s ILE 240 CO 0.46 0.41 -0.19 -0.89 0.00 0.00 0.00 174.94 174.73 1qjx s THR 241 N 0.62 1.54 -0.10 2.92 2.01 -0.22 -0.92 115.64 121.49 1qjx s THR 241 Ca -0.15 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.06 1qjx s THR 241 Cb -0.16 -1.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.04 1qjx s THR 241 CO 0.05 0.44 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.53 1qjx s VAL 242 N -0.30 2.46 -0.10 3.82 1.01 -1.26 0.52 120.40 126.54 1qjx s VAL 242 Ca 0.04 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1qjx s VAL 242 Cb -0.09 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.33 1qjx s VAL 242 CO 0.00 0.55 -0.17 -0.44 0.00 0.00 0.00 175.10 175.04 1qjx s SER 243 N 0.22 2.49 -0.06 3.32 0.01 -0.58 -0.79 113.70 118.31 1qjx s SER 243 Ca -0.13 -0.44 0.03 0.00 1.31 0.00 0.00 55.95 56.72 1qjx s SER 243 Cb -0.16 -1.13 0.00 0.00 0.21 0.00 0.00 66.02 64.94 1qjx s SER 243 CO 0.07 0.05 -0.16 -0.63 0.41 0.00 0.00 173.24 172.98 1qjx s ILE 244 N 0.78 1.37 -0.16 1.44 1.01 0.02 -0.82 121.20 124.83 1qjx s ILE 244 Ca -0.11 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 59.91 1qjx s ILE 244 Cb -0.16 -1.21 0.02 0.00 0.01 0.00 0.00 42.46 41.12 1qjx s ILE 244 CO 0.02 0.40 -0.20 -0.55 0.00 0.00 0.00 174.94 174.61 1qjx s SER 245 N 0.37 3.07 0.85 3.58 0.15 -0.38 -0.70 113.70 120.64 1qjx s SER 245 Ca -0.11 -0.62 -0.11 0.00 0.70 0.00 0.00 55.95 55.82 1qjx s SER 245 Cb -0.14 -1.44 0.11 0.00 -1.71 0.00 0.00 66.02 62.84 1qjx s SER 245 CO 0.04 0.02 1.10 -2.84 1.20 0.00 0.00 173.24 172.76 1qjx s PRO 246 N 1.15 1.57 -0.04 5.44 0.02 -1.25 -0.90 135.00 140.99 1qjx s PRO 246 Ca 0.01 1.20 -0.01 0.00 0.02 0.00 0.00 61.00 62.22 1qjx s PRO 246 Cb -0.14 -1.82 0.03 0.00 0.02 0.00 0.00 34.50 32.60 1qjx s PRO 246 CO -0.09 -2.13 0.08 -1.64 -0.33 0.00 0.00 177.00 172.89 1qjx s MET 247 N -4.82 0.02 -1.39 5.54 -1.94 0.92 -4.16 119.30 113.47 1qjx s MET 247 Ca 0.63 0.28 -0.09 0.00 -1.71 0.00 0.00 55.69 54.81 1qjx s MET 247 Cb -0.19 -0.23 0.03 0.00 2.01 0.00 0.00 34.83 36.45 1qjx s MET 247 CO 0.57 -0.18 1.08 0.00 -0.01 0.00 0.00 175.02 176.49 1qjx s ALA 249 N -3.34 3.44 -0.02 0.00 0.00 -1.26 -4.49 121.76 116.09 1qjx s ALA 249 Ca 0.52 0.93 -0.05 0.00 0.00 0.00 0.00 51.96 53.35 1qjx s ALA 249 Cb -0.24 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1qjx s ALA 249 CO 0.77 -0.44 0.12 -1.83 0.00 0.00 0.00 175.76 174.38 1qjx s GLU 250 N 0.60 0.34 0.13 0.00 -1.05 -0.40 -4.28 118.70 114.04 1qjx s GLU 250 Ca 0.57 -0.20 0.05 0.00 -0.15 0.00 0.00 54.97 55.25 1qjx s GLU 250 Cb -0.32 0.14 -0.04 0.00 -0.44 0.00 0.00 34.13 33.48 1qjx s GLU 250 CO 0.32 -0.07 -0.12 -0.06 0.95 0.00 0.00 175.26 176.28 1qjx s PHE 251 N -0.84 1.31 0.07 4.83 0.40 -0.53 -1.10 117.98 122.12 1qjx s PHE 251 Ca -0.09 -0.65 -0.14 0.00 -0.60 0.00 0.00 56.93 55.45 1qjx s PHE 251 Cb -0.05 -0.67 0.02 0.00 0.51 0.00 0.00 43.02 42.82 1qjx s PHE 251 CO 0.01 0.11 0.32 0.45 0.70 0.00 0.00 175.22 176.81 1qjx s SER 252 N -2.79 -0.12 0.00 1.36 0.15 -0.63 -0.57 113.70 111.10 1qjx s SER 252 Ca 0.12 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.48 1qjx s SER 252 Cb -0.01 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1qjx s SER 252 CO 0.02 -0.71 0.00 0.61 1.20 0.00 0.00 173.24 174.36 1qjx n GLY 253 N 0.23 0.78 3.77 9.45 0.00 -1.26 -1.25 105.19 116.91 1qjx n GLY 253 Ca -0.17 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 1qjx n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qjx s ALA 254 N -2.97 3.13 0.00 4.61 0.00 -1.26 -1.36 121.76 123.90 1qjx s ALA 254 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1qjx s ALA 254 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1qjx s ALA 254 CO 0.00 -0.42 0.00 2.89 0.00 0.00 0.00 175.76 178.23 1qjx n ARG 255 N 0.04 0.00 -1.45 0.00 1.85 -0.48 -4.97 116.66 111.65 1qjx n ARG 255 Ca 0.04 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.59 1qjx n ARG 255 Cb 0.47 0.00 0.10 0.00 -1.05 0.00 0.00 32.46 31.98 1qjx n ARG 255 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1qjx s ALA 256 N -1.00 2.15 -0.03 2.89 0.00 -1.26 -4.78 121.76 119.73 1qjx s ALA 256 Ca 0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.57 1qjx s ALA 256 Cb 0.00 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1qjx s ALA 256 CO 0.00 -1.80 1.21 0.21 0.00 0.00 0.00 175.76 175.37 1qjx s LYS 257 N -5.07 4.37 0.17 0.00 2.20 -1.26 -4.57 119.74 115.58 1qjx s LYS 257 Ca 0.61 1.70 -0.30 0.00 -0.36 0.00 0.00 55.97 57.62 1qjx s LYS 257 Cb -0.15 -3.52 -0.08 0.00 -1.51 0.00 0.00 37.83 32.57 1qjx s LYS 257 CO 0.55 -0.41 1.22 0.99 -0.36 0.00 0.00 175.35 177.34 1qjx s THR 258 N 1.97 3.55 -0.19 3.43 2.01 -0.09 -4.96 115.64 121.36 1qjx s THR 258 Ca 0.57 1.28 -0.01 0.00 0.31 0.00 0.00 61.69 63.83 1qjx s THR 258 Cb -0.26 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.44 1qjx s THR 258 CO 0.24 0.19 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.55 1qjx s VAL 259 N 0.10 2.75 0.04 3.82 1.01 -1.26 -4.91 120.40 121.95 1qjx s VAL 259 Ca 0.54 -0.71 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 1qjx s VAL 259 Cb -0.33 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1qjx s VAL 259 CO 0.36 0.48 0.35 -0.69 0.00 0.00 0.00 175.10 175.60 1qjx s VAL 260 N 1.29 5.17 0.00 2.92 1.01 -1.26 -5.28 120.40 124.24 1qjx s VAL 260 Ca 0.04 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.43 1qjx s VAL 260 Cb -0.14 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1qjx s VAL 260 CO -0.06 0.37 0.00 0.00 0.00 0.00 0.00 175.10 175.41