#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qfx h GLN 15 N 0.00 0.68 -4.60 -1.58 4.15 -2.11 -3.46 115.11 108.20 1qfx h GLN 15 Ca 0.00 -0.64 -0.33 0.00 0.77 0.00 0.00 58.65 58.45 1qfx h GLN 15 Cb 0.00 0.16 -0.25 0.00 0.21 0.00 0.00 27.48 27.60 1qfx h GLN 15 CO 0.00 1.24 -0.75 -0.06 -1.93 0.00 0.00 178.83 177.33 1qfx s PHE 16 N -3.52 0.69 0.29 3.99 0.08 -1.26 -5.14 117.98 113.11 1qfx s PHE 16 Ca -0.09 -0.29 -0.28 0.00 0.12 0.00 0.00 56.93 56.38 1qfx s PHE 16 Cb 0.08 -0.42 -0.09 0.00 -0.57 0.00 0.00 43.02 42.01 1qfx s PHE 16 CO 0.90 -0.03 0.97 0.45 -0.10 0.00 0.00 175.22 177.41 1qfx s SER 17 N -0.86 7.43 0.00 1.36 0.15 -1.26 -4.96 113.70 115.56 1qfx s SER 17 Ca -0.03 1.96 0.26 0.00 0.70 0.00 0.00 55.95 58.84 1qfx s SER 17 Cb -0.06 -2.60 0.61 0.00 -1.71 0.00 0.00 66.02 62.26 1qfx s SER 17 CO 0.00 -0.00 1.49 0.00 1.20 0.00 0.00 173.24 175.93 1qfx n GLN 18 N 1.01 1.74 -3.32 5.44 6.02 -1.26 -4.89 117.38 122.13 1qfx n GLN 18 Ca -0.00 -1.24 -0.38 0.00 -0.01 0.00 0.00 57.00 55.37 1qfx n GLN 18 Cb 0.48 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 30.21 1qfx n GLN 18 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1qfx s GLU 19 N -2.11 4.23 -0.44 -1.09 2.02 -1.26 -5.03 118.70 115.01 1qfx s GLU 19 Ca 0.31 0.55 0.02 0.00 0.02 0.00 0.00 54.97 55.87 1qfx s GLU 19 Cb 0.20 -3.34 0.13 0.00 0.10 0.00 0.00 34.13 31.22 1qfx s GLU 19 CO 0.37 0.38 0.23 -0.06 0.02 0.00 0.00 175.26 176.20 1qfx s PHE 20 N -0.14 2.10 -1.25 1.61 0.40 -1.26 -4.98 117.98 114.47 1qfx s PHE 20 Ca 0.27 -2.49 0.18 0.00 -0.60 0.00 0.00 56.93 54.30 1qfx s PHE 20 Cb -0.17 -1.99 -0.10 0.00 0.51 0.00 0.00 43.02 41.28 1qfx s PHE 20 CO 0.14 -0.78 0.84 0.54 0.70 0.00 0.00 175.22 176.66 1qfx n ARG 21 N 3.55 1.36 -0.34 0.44 5.12 -1.26 -4.65 116.66 120.86 1qfx n ARG 21 Ca 0.08 -0.43 0.22 0.00 -1.93 0.00 0.00 57.85 55.78 1qfx n ARG 21 Cb 0.34 -1.34 0.46 0.00 -1.16 0.00 0.00 32.46 30.76 1qfx n ARG 21 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1qfx h ASP 22 N 1.00 0.55 0.13 0.55 3.32 -2.00 -1.40 116.42 118.57 1qfx h ASP 22 Ca 0.00 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1qfx h ASP 22 Cb 0.52 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 1qfx h ASP 22 CO 0.00 0.03 -0.02 1.23 -1.72 0.00 0.00 179.24 178.77 1qfx h GLY 23 N 0.44 0.00 1.67 2.75 0.00 -2.03 -1.98 103.07 103.93 1qfx h GLY 23 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.99 1qfx h GLY 23 CO -0.44 0.00 -0.30 -0.97 0.00 0.00 0.00 176.54 174.83 1qfx h TYR 24 N 0.00 0.00 -2.24 5.60 0.05 -1.60 -3.47 116.97 115.30 1qfx h TYR 24 Ca -0.00 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.19 1qfx h TYR 24 Cb 0.09 0.00 0.05 0.00 1.01 0.00 0.00 36.73 37.88 1qfx h TYR 24 CO 0.00 0.00 0.84 0.45 -1.05 0.00 0.00 178.16 178.40 1qfx n SER 25 N -2.70 3.15 0.27 3.88 2.88 -0.75 -4.86 113.62 115.50 1qfx n SER 25 Ca 0.03 1.07 0.14 0.00 -1.33 0.00 0.00 58.87 58.78 1qfx n SER 25 Cb 0.50 -1.42 0.79 0.00 -0.75 0.00 0.00 64.21 63.33 1qfx n SER 25 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1qfx h ILE 26 N 3.89 0.49 -0.05 2.46 1.08 -1.91 -1.36 117.51 122.12 1qfx h ILE 26 Ca -0.45 -0.41 0.01 0.00 -0.39 0.00 0.00 64.86 63.61 1qfx h ILE 26 Cb 1.26 1.28 -0.00 0.00 -3.07 0.00 0.00 36.82 36.28 1qfx h ILE 26 CO 0.90 0.09 0.11 -0.07 -0.69 0.00 0.00 178.15 178.48 1qfx h LEU 27 N 0.00 0.00 -2.98 1.44 3.38 -1.95 0.32 115.31 115.52 1qfx h LEU 27 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qfx h LEU 27 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1qfx h LEU 27 CO 0.01 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.83 1qfx n LYS 28 N -3.37 3.49 -1.50 1.13 4.76 -0.51 -4.47 118.16 117.69 1qfx n LYS 28 Ca -0.02 -2.79 0.02 0.00 -2.87 0.00 0.00 58.31 52.65 1qfx n LYS 28 Cb 0.19 -1.82 0.08 0.00 -1.84 0.00 0.00 35.03 31.63 1qfx n LYS 28 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1qfx n HIS 29 N 1.24 0.41 -2.47 2.13 8.25 0.11 -4.61 115.22 120.29 1qfx n HIS 29 Ca 0.25 -1.16 0.03 0.00 -0.26 0.00 0.00 57.72 56.59 1qfx n HIS 29 Cb 0.83 -0.20 0.04 0.00 1.12 0.00 0.00 29.99 31.77 1qfx n HIS 29 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46 1qfx n TYR 30 N -0.20 0.25 0.00 4.41 0.18 -1.24 -2.05 117.16 118.50 1qfx n TYR 30 Ca 0.13 -0.87 0.00 0.00 1.88 0.00 0.00 57.90 59.03 1qfx n TYR 30 Cb 0.96 -0.17 0.00 0.00 -0.38 0.00 0.00 39.34 39.74 1qfx n TYR 30 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1qfx n GLY 31 N 0.17 3.70 0.72 -7.48 0.00 -1.26 -2.42 105.19 98.62 1qfx n GLY 31 Ca 0.08 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1qfx n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qfx n GLY 32 N 0.00 4.14 0.18 -0.02 0.00 -1.26 -3.75 105.19 104.48 1qfx n GLY 32 Ca 0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 1qfx n GLY 32 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1qfx h ASN 33 N 1.45 0.54 -4.23 1.61 2.35 -1.80 -3.28 115.58 112.22 1qfx h ASN 33 Ca 0.00 -0.37 -0.06 0.00 -0.55 0.00 0.00 56.30 55.32 1qfx h ASN 33 Cb 1.32 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.54 1qfx h ASN 33 CO 0.17 1.12 -0.01 0.61 -1.65 0.00 0.00 177.43 177.67 1qfx n GLY 34 N 0.65 2.12 3.32 2.83 0.00 -1.26 -4.41 105.19 108.44 1qfx n GLY 34 Ca -0.05 -2.15 -0.37 0.00 0.00 0.00 0.00 46.02 43.45 1qfx n GLY 34 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1qfx n PRO 35 N -1.07 0.16 -2.04 1.61 -0.02 -1.26 -2.20 135.00 130.18 1qfx n PRO 35 Ca 0.02 0.08 -0.36 0.00 -2.02 0.00 0.00 63.50 61.21 1qfx n PRO 35 Cb 0.08 -1.44 0.03 0.00 -0.02 0.00 0.00 33.50 32.14 1qfx n PRO 35 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1qfx s TYR 36 N -1.95 2.42 -0.03 6.00 5.04 -1.17 -4.25 117.35 123.42 1qfx s TYR 36 Ca 0.59 1.52 -0.14 0.00 -2.44 0.00 0.00 57.07 56.59 1qfx s TYR 36 Cb -0.37 -3.46 0.02 0.00 0.35 0.00 0.00 41.96 38.50 1qfx s TYR 36 CO 0.64 -2.14 0.31 -1.54 -1.34 0.00 0.00 175.55 171.48 1qfx s SER 37 N -1.61 -0.20 0.29 4.32 1.04 -1.26 -4.99 113.70 111.28 1qfx s SER 37 Ca 0.77 0.14 -0.29 0.00 0.48 0.00 0.00 55.95 57.05 1qfx s SER 37 Cb -0.30 0.35 -0.10 0.00 0.10 0.00 0.00 66.02 66.08 1qfx s SER 37 CO 0.32 -0.41 1.31 -1.61 0.98 0.00 0.00 173.24 173.83 1qfx s GLU 38 N -1.16 4.38 0.41 4.02 2.02 -1.26 -4.94 118.70 122.17 1qfx s GLU 38 Ca -0.12 2.16 -0.25 0.00 0.02 0.00 0.00 54.97 56.77 1qfx s GLU 38 Cb -0.05 -3.11 -0.08 0.00 0.10 0.00 0.00 34.13 30.99 1qfx s GLU 38 CO 0.04 -0.20 1.25 0.50 0.02 0.00 0.00 175.26 176.87 1qfx s ARG 39 N -1.22 3.94 0.13 1.61 3.52 -0.05 -4.93 118.95 121.96 1qfx s ARG 39 Ca 0.52 2.02 -0.31 0.00 -0.13 0.00 0.00 55.73 57.83 1qfx s ARG 39 Cb -0.39 -2.68 -0.10 0.00 -1.56 0.00 0.00 34.95 30.22 1qfx s ARG 39 CO 0.47 -0.47 1.82 0.08 -0.81 0.00 0.00 175.30 176.40 1qfx s VAL 40 N -1.33 2.49 0.37 7.11 1.01 -1.26 -4.60 120.40 124.19 1qfx s VAL 40 Ca 0.58 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.41 1qfx s VAL 40 Cb -0.35 -3.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.90 1qfx s VAL 40 CO 0.44 0.00 0.87 -0.55 0.00 0.00 0.00 175.10 175.86 1qfx s SER 41 N 2.61 6.94 0.00 3.32 0.15 -1.26 -4.96 113.70 120.50 1qfx s SER 41 Ca 0.81 1.56 0.27 0.00 0.70 0.00 0.00 55.95 59.28 1qfx s SER 41 Cb -0.46 -2.48 0.85 0.00 -1.71 0.00 0.00 66.02 62.22 1qfx s SER 41 CO 0.36 -0.25 1.65 -1.22 1.20 0.00 0.00 173.24 174.98 1qfx n TYR 42 N -0.33 0.00 0.00 3.44 4.01 -1.26 -4.91 117.16 118.11 1qfx n TYR 42 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1qfx n TYR 42 Cb 0.53 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 1qfx n TYR 42 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qfx n GLY 43 N 1.46 0.60 3.73 2.72 0.00 -1.26 -5.08 105.19 107.36 1qfx n GLY 43 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1qfx n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qfx s ILE 44 N -2.00 2.96 0.23 -0.61 1.01 -1.26 -4.95 121.20 116.58 1qfx s ILE 44 Ca 0.00 0.75 -0.31 0.00 0.00 0.00 0.00 60.65 61.09 1qfx s ILE 44 Cb 0.00 -3.48 -0.12 0.00 0.01 0.00 0.00 42.46 38.88 1qfx s ILE 44 CO 0.00 0.09 1.67 0.00 0.00 0.00 0.00 174.94 176.70 1qfx s ALA 45 N 0.50 3.87 0.25 9.38 0.00 -1.26 -4.66 121.76 129.84 1qfx s ALA 45 Ca 0.62 1.57 0.02 0.00 0.00 0.00 0.00 51.96 54.16 1qfx s ALA 45 Cb -0.39 -3.67 0.32 0.00 0.00 0.00 0.00 23.12 19.37 1qfx s ALA 45 CO 0.37 -0.93 1.64 -0.09 0.00 0.00 0.00 175.76 176.74 1qfx h ARG 46 N 6.16 0.43 -7.36 0.00 9.65 -1.92 -3.46 114.38 117.89 1qfx h ARG 46 Ca -0.44 -0.21 -0.51 0.00 -1.10 0.00 0.00 59.98 57.72 1qfx h ARG 46 Cb 1.21 -0.00 0.09 0.00 -1.39 0.00 0.00 29.97 29.88 1qfx h ARG 46 CO 0.90 0.76 0.38 -0.51 2.80 0.00 0.00 179.97 184.30 1qfx s ASP 47 N -6.86 5.47 0.32 -3.80 1.01 -1.26 -4.98 116.67 106.57 1qfx s ASP 47 Ca -0.06 1.52 -0.29 0.00 0.71 0.00 0.00 52.55 54.43 1qfx s ASP 47 Cb 0.13 -2.42 -0.11 0.00 1.01 0.00 0.00 42.92 41.52 1qfx s ASP 47 CO 0.80 -1.37 1.55 -2.65 0.21 0.00 0.00 175.17 173.71 1qfx n PRO 48 N -3.08 2.68 -0.98 8.23 -0.02 -1.26 -4.94 135.00 135.63 1qfx n PRO 48 Ca 0.07 0.95 -0.33 0.00 -2.02 0.00 0.00 63.50 62.17 1qfx n PRO 48 Cb 0.54 -2.71 0.12 0.00 -0.02 0.00 0.00 33.50 31.44 1qfx n PRO 48 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1qfx n PRO 49 N 1.52 -0.02 -1.79 0.52 -0.02 -1.26 -4.86 135.00 129.09 1qfx n PRO 49 Ca 0.06 0.06 -0.41 0.00 -2.02 0.00 0.00 63.50 61.19 1qfx n PRO 49 Cb 0.37 -2.20 -0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1qfx n PRO 49 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1qfx s THR 50 N -2.24 2.02 0.00 3.45 2.01 -1.26 -1.69 115.64 117.93 1qfx s THR 50 Ca 0.67 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.69 1qfx s THR 50 Cb -0.27 -3.01 0.00 0.00 0.01 0.00 0.00 72.50 69.23 1qfx s THR 50 CO 0.57 0.00 0.00 -1.20 -0.69 0.00 0.00 174.62 173.30 1qfx n SER 51 N 0.45 0.00 -4.35 3.53 7.64 -1.26 -4.97 113.62 114.67 1qfx n SER 51 Ca 0.01 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.71 1qfx n SER 51 Cb 0.39 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.49 1qfx n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qfx s GLU 53 N -3.70 0.77 -0.06 0.00 -1.05 -0.71 -4.62 118.70 109.32 1qfx s GLU 53 Ca 0.24 0.02 -0.30 0.00 -0.15 0.00 0.00 54.97 54.78 1qfx s GLU 53 Cb 0.01 0.35 -0.02 0.00 -0.44 0.00 0.00 34.13 34.03 1qfx s GLU 53 CO 0.07 -0.22 1.07 0.08 0.95 0.00 0.00 175.26 177.22 1qfx s VAL 54 N -1.15 4.58 -1.02 1.83 1.01 -1.26 -0.11 120.40 124.29 1qfx s VAL 54 Ca -0.12 1.87 0.08 0.00 0.00 0.00 0.00 61.98 63.81 1qfx s VAL 54 Cb -0.03 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.21 1qfx s VAL 54 CO 0.06 0.04 0.76 -0.90 0.00 0.00 0.00 175.10 175.05 1qfx n ASP 55 N 4.81 1.68 -3.64 3.32 5.68 0.16 -4.92 116.55 123.63 1qfx n ASP 55 Ca 0.09 -1.34 -0.09 0.00 -0.50 0.00 0.00 54.79 52.95 1qfx n ASP 55 Cb 0.48 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.40 1qfx n ASP 55 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1qfx s GLN 56 N -0.69 0.62 -0.07 0.11 0.74 -1.24 -4.64 119.66 114.50 1qfx s GLN 56 Ca 0.10 0.84 0.03 0.00 0.05 0.00 0.00 55.36 56.37 1qfx s GLN 56 Cb 0.07 0.25 0.01 0.00 1.10 0.00 0.00 33.01 34.44 1qfx s GLN 56 CO 0.10 -0.09 -0.14 0.08 -0.55 0.00 0.00 175.29 174.69 1qfx s VAL 57 N 0.69 1.29 -0.24 1.34 1.01 0.26 -0.69 120.40 124.05 1qfx s VAL 57 Ca -0.02 -0.57 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 1qfx s VAL 57 Cb -0.05 -1.16 0.07 0.00 0.00 0.00 0.00 36.38 35.24 1qfx s VAL 57 CO -0.08 0.39 -0.00 -0.63 0.00 0.00 0.00 175.10 174.78 1qfx s ILE 58 N 0.62 1.19 0.06 2.22 1.01 -0.32 -0.79 121.20 125.20 1qfx s ILE 58 Ca -0.15 -1.11 0.10 0.00 0.00 0.00 0.00 60.65 59.48 1qfx s ILE 58 Cb -0.16 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 1qfx s ILE 58 CO 0.04 -0.24 -0.27 -0.32 0.00 0.00 0.00 174.94 174.16 1qfx s MET 59 N 1.53 1.71 -0.17 2.79 1.75 -0.15 -0.72 119.30 126.04 1qfx s MET 59 Ca -0.02 -1.17 -0.00 0.00 -1.25 0.00 0.00 55.69 53.26 1qfx s MET 59 Cb -0.18 -1.96 0.04 0.00 2.84 0.00 0.00 34.83 35.57 1qfx s MET 59 CO -0.09 0.50 -0.06 0.54 -0.65 0.00 0.00 175.02 175.25 1qfx s VAL 60 N -0.86 1.20 -0.06 10.11 0.11 -0.39 -0.58 120.40 129.92 1qfx s VAL 60 Ca 0.12 -0.69 0.02 0.00 -2.93 0.00 0.00 61.98 58.50 1qfx s VAL 60 Cb -0.10 -1.36 -0.03 0.00 -1.53 0.00 0.00 36.38 33.36 1qfx s VAL 60 CO 0.03 0.13 -0.10 -0.75 -3.33 0.00 0.00 175.10 171.09 1qfx s LYS 61 N 1.59 2.68 0.57 1.54 2.20 0.18 -1.50 119.74 127.01 1qfx s LYS 61 Ca 0.00 -0.60 -0.16 0.00 -0.36 0.00 0.00 55.97 54.85 1qfx s LYS 61 Cb -0.15 -2.52 -0.05 0.00 -1.51 0.00 0.00 37.83 33.60 1qfx s LYS 61 CO -0.08 0.64 1.04 0.50 -0.36 0.00 0.00 175.35 177.09 1qfx s ARG 62 N -0.74 3.49 0.86 4.03 3.52 0.40 -1.44 118.95 129.07 1qfx s ARG 62 Ca 0.11 1.12 -0.13 0.00 -0.13 0.00 0.00 55.73 56.70 1qfx s ARG 62 Cb -0.11 -2.06 0.04 0.00 -1.56 0.00 0.00 34.95 31.26 1qfx s ARG 62 CO 0.01 -0.66 0.70 -2.39 -0.81 0.00 0.00 175.30 172.15 1qfx n HIS 63 N -1.95 -0.41 -0.95 5.12 1.44 -0.85 -4.10 115.22 113.52 1qfx n HIS 63 Ca 0.08 0.32 -0.07 0.00 -2.01 0.00 0.00 57.72 56.04 1qfx n HIS 63 Cb 0.53 -1.91 0.05 0.00 0.12 0.00 0.00 29.99 28.78 1qfx n HIS 63 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1qfx n GLY 64 N 1.17 -1.82 3.65 -1.39 0.00 -1.26 -1.37 105.19 104.18 1qfx n GLY 64 Ca 0.10 -1.58 -0.46 0.00 0.00 0.00 0.00 46.02 44.08 1qfx n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qfx n GLU 65 N -1.95 1.86 -4.36 1.61 4.71 -1.26 -4.52 120.64 116.73 1qfx n GLU 65 Ca 0.04 0.66 -0.20 0.00 -0.01 0.00 0.00 57.16 57.65 1qfx n GLU 65 Cb 0.14 -2.30 -0.09 0.00 -1.01 0.00 0.00 31.44 28.18 1qfx n GLU 65 CO 0.00 0.00 0.00 -0.98 0.09 0.00 0.00 177.13 176.24 1qfx s ARG 66 N -0.27 1.70 0.54 3.49 1.70 -1.26 -1.21 118.95 123.64 1qfx s ARG 66 Ca 0.70 -1.99 -0.08 0.00 -0.47 0.00 0.00 55.73 53.89 1qfx s ARG 66 Cb -0.70 -0.09 -0.04 0.00 -0.57 0.00 0.00 34.95 33.55 1qfx s ARG 66 CO 0.49 -0.51 0.89 0.71 -1.08 0.00 0.00 175.30 175.81 1qfx s TYR 67 N -3.49 3.59 1.11 5.89 2.02 -0.03 -4.78 117.35 121.66 1qfx s TYR 67 Ca 0.34 1.04 -0.13 0.00 -0.37 0.00 0.00 57.07 57.95 1qfx s TYR 67 Cb 0.04 -2.50 0.23 0.00 -0.40 0.00 0.00 41.96 39.33 1qfx s TYR 67 CO 0.19 -0.45 0.91 -2.30 -1.57 0.00 0.00 175.55 172.33 1qfx n PRO 68 N -2.42 -1.87 -1.90 -1.71 -0.02 -1.26 -3.65 135.00 122.16 1qfx n PRO 68 Ca 0.03 -0.51 -0.29 0.00 -2.02 0.00 0.00 63.50 60.71 1qfx n PRO 68 Cb 0.55 -2.15 0.07 0.00 -0.02 0.00 0.00 33.50 31.94 1qfx n PRO 68 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1qfx s SER 69 N -2.38 4.93 0.20 2.55 1.04 -1.26 -1.06 113.70 117.73 1qfx s SER 69 Ca 0.66 0.93 -0.10 0.00 0.48 0.00 0.00 55.95 57.92 1qfx s SER 69 Cb -0.23 -1.56 0.22 0.00 0.10 0.00 0.00 66.02 64.54 1qfx s SER 69 CO 0.64 -1.64 1.80 -0.65 0.98 0.00 0.00 173.24 174.36 1qfx h PRO 70 N -0.86 0.60 -0.41 4.02 0.11 -1.94 0.11 132.00 133.62 1qfx h PRO 70 Ca -0.45 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1qfx h PRO 70 Cb 1.30 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1qfx h PRO 70 CO 0.65 0.39 0.04 0.66 -0.21 0.00 0.00 178.00 179.53 1qfx h SER 71 N 0.61 0.68 -0.73 -2.05 4.64 -2.00 -0.38 113.55 114.32 1qfx h SER 71 Ca 0.28 -0.28 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1qfx h SER 71 Cb 0.19 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1qfx h SER 71 CO -0.18 0.79 0.35 0.00 -0.87 0.00 0.00 176.83 176.91 1qfx h ALA 72 N 0.91 0.95 -0.75 5.18 0.00 -1.89 -2.28 119.26 121.38 1qfx h ALA 72 Ca 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1qfx h ALA 72 Cb 0.42 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1qfx h ALA 72 CO 0.01 0.52 0.32 0.78 0.00 0.00 0.00 179.25 180.88 1qfx h GLY 73 N 1.03 1.17 0.84 0.00 0.00 -0.35 0.78 103.07 106.54 1qfx h GLY 73 Ca 0.25 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1qfx h GLY 73 CO -0.03 0.58 -0.15 1.70 0.00 0.00 0.00 176.54 178.63 1qfx h LYS 74 N 1.08 -0.34 -0.67 4.80 3.64 -0.71 0.78 116.57 125.14 1qfx h LYS 74 Ca 0.25 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.68 1qfx h LYS 74 Cb 0.17 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 1qfx h LYS 74 CO -0.03 -0.22 0.43 -0.44 -2.27 0.00 0.00 179.45 176.92 1qfx h ASP 75 N -0.35 0.72 -0.55 4.20 3.32 -1.06 -0.70 116.42 122.00 1qfx h ASP 75 Ca -0.00 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1qfx h ASP 75 Cb 0.32 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1qfx h ASP 75 CO -0.03 0.51 0.34 0.40 -1.72 0.00 0.00 179.24 178.75 1qfx h ILE 76 N 0.85 1.16 -0.73 0.35 2.04 -0.54 -1.92 117.51 118.73 1qfx h ILE 76 Ca 0.26 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1qfx h ILE 76 Cb -0.03 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 1qfx h ILE 76 CO -0.08 0.16 0.28 -0.33 0.00 0.00 0.00 178.15 178.18 1qfx h GLU 77 N 0.75 1.10 -0.67 2.37 5.08 -0.22 -0.49 114.58 122.51 1qfx h GLU 77 Ca 0.20 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1qfx h GLU 77 Cb -0.03 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 1qfx h GLU 77 CO -0.04 0.91 0.16 0.93 -1.00 0.00 0.00 179.01 179.97 1qfx h GLU 78 N 1.05 1.05 -0.55 2.33 5.08 -0.85 -0.71 114.58 121.99 1qfx h GLU 78 Ca 0.24 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1qfx h GLU 78 Cb 0.23 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1qfx h GLU 78 CO -0.02 0.93 -0.07 0.00 -1.00 0.00 0.00 179.01 178.85 1qfx h ALA 79 N 1.17 0.75 0.00 3.43 0.00 -1.07 -2.62 119.26 120.93 1qfx h ALA 79 Ca 0.21 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1qfx h ALA 79 Cb 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1qfx h ALA 79 CO 0.00 0.64 -0.28 -0.07 0.00 0.00 0.00 179.25 179.54 1qfx h LEU 80 N 0.90 0.00 -0.32 0.00 3.38 -0.73 -2.22 115.31 116.32 1qfx h LEU 80 Ca 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1qfx h LEU 80 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1qfx h LEU 80 CO 0.04 0.28 0.06 0.00 0.09 0.00 0.00 178.44 178.91 1qfx h ALA 81 N 1.72 0.43 -0.79 1.53 0.00 -0.76 0.85 119.26 122.23 1qfx h ALA 81 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1qfx h ALA 81 Cb 0.60 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1qfx h ALA 81 CO 0.04 0.12 0.35 0.87 0.00 0.00 0.00 179.25 180.62 1qfx h LYS 82 N 0.36 1.16 -0.51 0.00 1.57 -1.31 -0.96 116.57 116.88 1qfx h LYS 82 Ca 0.10 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1qfx h LYS 82 Cb 0.34 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1qfx h LYS 82 CO 0.01 0.92 0.20 0.28 -0.57 0.00 0.00 179.45 180.28 1qfx h VAL 83 N 1.14 1.21 0.00 0.50 2.07 -1.10 -2.94 116.25 117.14 1qfx h VAL 83 Ca 0.27 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1qfx h VAL 83 Cb 0.17 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1qfx h VAL 83 CO -0.03 0.25 0.00 -1.22 0.02 0.00 0.00 177.57 176.59 1qfx n TYR 84 N -4.54 0.00 0.70 1.57 4.01 0.26 -4.15 117.16 115.01 1qfx n TYR 84 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1qfx n TYR 84 Cb 0.16 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 1qfx n TYR 84 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1qfx n SER 85 N -1.22 1.28 -3.77 7.72 3.41 -0.43 -5.06 113.62 115.54 1qfx n SER 85 Ca 0.15 -1.40 -0.13 0.00 -0.26 0.00 0.00 58.87 57.24 1qfx n SER 85 Cb 0.20 -0.35 -0.09 0.00 -0.26 0.00 0.00 64.21 63.71 1qfx n SER 85 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1qfx s ILE 86 N -0.46 0.06 0.26 -1.33 -4.36 -1.26 -4.94 121.20 109.17 1qfx s ILE 86 Ca 0.00 -0.52 0.00 0.00 -0.26 0.00 0.00 60.65 59.87 1qfx s ILE 86 Cb 0.00 -0.63 0.00 0.00 1.25 0.00 0.00 42.46 43.08 1qfx s ILE 86 CO 0.00 -0.29 0.00 0.35 0.24 0.00 0.00 174.94 175.24 1qfx n THR 89 N 1.21 -1.15 -1.63 8.37 -2.24 -1.26 -5.08 114.28 112.50 1qfx n THR 89 Ca -0.21 0.61 -0.53 0.00 -2.27 0.00 0.00 64.05 61.64 1qfx n THR 89 Cb 0.56 -1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 67.73 1qfx n THR 89 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1qfx n GLU 90 N -2.47 1.29 -2.17 -0.78 2.13 -1.26 -4.94 120.64 112.44 1qfx n GLU 90 Ca -0.01 0.47 -0.39 0.00 0.66 0.00 0.00 57.16 57.89 1qfx n GLU 90 Cb 0.22 -2.14 -0.01 0.00 0.27 0.00 0.00 31.44 29.78 1qfx n GLU 90 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 1qfx s TYR 91 N 1.50 2.92 0.40 4.31 2.02 -1.26 -5.05 117.35 122.18 1qfx s TYR 91 Ca 0.88 1.49 0.08 0.00 -0.37 0.00 0.00 57.07 59.14 1qfx s TYR 91 Cb -0.95 -3.53 -0.05 0.00 -0.40 0.00 0.00 41.96 37.03 1qfx s TYR 91 CO 0.51 -1.72 0.14 0.15 -1.57 0.00 0.00 175.55 173.06 1qfx s LYS 92 N -2.32 2.19 6.06 -0.62 -0.14 -1.26 -4.25 119.74 119.41 1qfx s LYS 92 Ca 0.58 -1.83 0.00 0.00 -1.36 0.00 0.00 55.97 53.36 1qfx s LYS 92 Cb -0.34 -1.96 0.00 0.00 -1.68 0.00 0.00 37.83 33.85 1qfx s LYS 92 CO 0.43 -0.06 0.00 0.41 -0.76 0.00 0.00 175.35 175.37 1qfx n GLY 93 N -1.17 3.07 0.25 -3.33 0.00 -1.26 -2.47 105.19 100.29 1qfx n GLY 93 Ca -0.02 -0.27 0.17 0.00 0.00 0.00 0.00 46.02 45.90 1qfx n GLY 93 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qfx h ASP 94 N 6.22 0.00 -0.56 1.61 3.32 -1.96 -2.11 116.42 122.93 1qfx h ASP 94 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qfx h ASP 94 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1qfx h ASP 94 CO 0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 1qfx n LEU 95 N -2.80 3.21 -0.08 1.55 4.77 -1.03 -4.39 117.00 118.24 1qfx n LEU 95 Ca -0.00 -1.61 0.11 0.00 -0.03 0.00 0.00 56.01 54.48 1qfx n LEU 95 Cb 0.18 -0.41 0.49 0.00 -2.33 0.00 0.00 43.42 41.35 1qfx n LEU 95 CO 0.21 0.74 1.19 0.00 -1.33 0.00 0.00 177.39 178.20 1qfx h ALA 96 N 4.00 1.98 0.00 -1.18 0.00 -1.38 -0.48 119.26 122.21 1qfx h ALA 96 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qfx h ALA 96 Cb 0.85 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1qfx h ALA 96 CO 0.04 -0.10 -0.00 0.27 0.00 0.00 0.00 179.25 179.45 1qfx h PHE 97 N 0.43 0.00 0.00 0.00 -0.00 -1.84 -1.99 116.94 113.54 1qfx h PHE 97 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.24 1qfx h PHE 97 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.43 1qfx h PHE 97 CO -0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 178.31 178.24 1qfx h LEU 98 N 0.00 0.00 -1.62 2.10 3.38 -1.42 -1.23 115.31 116.53 1qfx h LEU 98 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1qfx h LEU 98 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1qfx h LEU 98 CO 0.00 0.00 -0.11 0.78 0.09 0.00 0.00 178.44 179.20 1qfx h ASN 99 N 0.00 0.00 -2.02 -0.43 2.35 -1.54 -3.27 115.58 110.67 1qfx h ASN 99 Ca 0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 1qfx h ASN 99 Cb 0.09 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 38.07 1qfx h ASN 99 CO 0.00 0.11 -1.08 -0.67 -1.65 0.00 0.00 177.43 174.14 1qfx n ASP 100 N -3.35 0.65 -3.74 5.81 2.03 -0.47 -5.09 116.55 112.39 1qfx n ASP 100 Ca -0.01 -2.82 -0.13 0.00 0.52 0.00 0.00 54.79 52.35 1qfx n ASP 100 Cb 0.30 -0.64 -0.10 0.00 -0.72 0.00 0.00 41.12 39.97 1qfx n ASP 100 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1qfx s TRP 101 N -1.54 -0.39 -0.01 -0.67 -0.00 -1.18 -4.99 118.94 110.16 1qfx s TRP 101 Ca 0.36 0.92 0.04 0.00 -0.00 0.00 0.00 56.10 57.43 1qfx s TRP 101 Cb 0.20 0.14 -0.01 0.00 -0.00 0.00 0.00 33.47 33.80 1qfx s TRP 101 CO -0.10 -0.24 -0.13 0.95 -0.00 0.00 0.00 176.95 177.43 1qfx s THR 102 N -0.06 0.99 0.46 5.86 -4.23 -1.26 -4.97 115.64 112.43 1qfx s THR 102 Ca -0.02 -0.57 -0.24 0.00 -1.18 0.00 0.00 61.69 59.68 1qfx s THR 102 Cb -0.03 -0.84 -0.09 0.00 1.34 0.00 0.00 72.50 72.89 1qfx s THR 102 CO 0.01 0.26 1.13 0.00 -0.54 0.00 0.00 174.62 175.48 1qfx n TYR 103 N 2.71 1.57 0.89 3.99 9.36 -1.26 -4.92 117.16 129.50 1qfx n TYR 103 Ca -0.14 0.51 0.13 0.00 3.32 0.00 0.00 57.90 61.71 1qfx n TYR 103 Cb 0.56 -2.28 0.41 0.00 -0.63 0.00 0.00 39.34 37.39 1qfx n TYR 103 CO 0.00 0.00 0.00 2.48 0.22 0.00 0.00 176.86 179.56 1qfx n TYR 104 N -0.63 0.21 -2.74 2.98 0.18 -1.26 -4.78 117.16 111.12 1qfx n TYR 104 Ca 0.09 0.06 -0.43 0.00 1.88 0.00 0.00 57.90 59.50 1qfx n TYR 104 Cb 0.41 -0.50 -0.03 0.00 -0.38 0.00 0.00 39.34 38.83 1qfx n TYR 104 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1qfx s VAL 105 N -3.04 4.47 0.21 -3.48 1.01 -1.26 -4.93 120.40 113.38 1qfx s VAL 105 Ca 0.11 1.18 -0.12 0.00 0.00 0.00 0.00 61.98 63.15 1qfx s VAL 105 Cb 0.17 -4.42 0.22 0.00 0.00 0.00 0.00 36.38 32.34 1qfx s VAL 105 CO 0.62 -0.69 1.64 -0.65 0.00 0.00 0.00 175.10 176.02 1qfx h PRO 106 N 8.70 0.04 -2.74 2.72 0.11 -1.98 -3.45 132.00 135.41 1qfx h PRO 106 Ca -0.23 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.97 1qfx h PRO 106 Cb 1.07 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.09 1qfx h PRO 106 CO 1.03 0.03 0.32 0.54 -0.21 0.00 0.00 178.00 179.71 1qfx s ASN 107 N -5.23 -0.30 0.60 -2.05 2.20 -1.26 -5.03 114.94 103.86 1qfx s ASN 107 Ca -0.14 -0.38 0.39 0.00 -0.94 0.00 0.00 52.86 51.79 1qfx s ASN 107 Cb 0.19 0.60 2.13 0.00 -2.00 0.00 0.00 41.25 42.18 1qfx s ASN 107 CO 0.74 -1.09 2.20 1.05 -2.94 0.00 0.00 177.10 177.06 1qfx h GLU 108 N 2.00 0.00 0.00 3.55 4.11 -2.00 -1.59 114.58 120.65 1qfx h GLU 108 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.20 1qfx h GLU 108 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1qfx h GLU 108 CO 0.27 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.35 1qfx h TYR 110 N 0.00 0.00 -3.18 0.00 0.05 -1.64 0.66 116.97 112.85 1qfx h TYR 110 Ca 0.00 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 58.21 1qfx h TYR 110 Cb 0.43 0.00 0.10 0.00 1.01 0.00 0.00 36.73 38.28 1qfx h TYR 110 CO 0.00 0.00 0.53 0.66 -1.05 0.00 0.00 178.16 178.30 1qfx n TYR 111 N -2.53 2.26 0.00 4.88 4.01 -1.16 -1.38 117.16 123.24 1qfx n TYR 111 Ca 0.04 0.52 0.00 0.00 -0.16 0.00 0.00 57.90 58.30 1qfx n TYR 111 Cb 0.48 -2.43 0.00 0.00 -0.31 0.00 0.00 39.34 37.08 1qfx n TYR 111 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1qfx n ASN 112 N 1.08 0.00 -4.88 7.72 3.02 -0.22 -4.05 115.26 117.94 1qfx n ASN 112 Ca 0.06 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.31 1qfx n ASN 112 Cb 0.35 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.53 1qfx n ASN 112 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qfx s ALA 113 N -1.95 3.11 0.38 5.41 0.00 -0.48 -4.53 121.76 123.71 1qfx s ALA 113 Ca 0.00 -0.17 -0.25 0.00 0.00 0.00 0.00 51.96 51.54 1qfx s ALA 113 Cb 0.00 -3.01 -0.09 0.00 0.00 0.00 0.00 23.12 20.02 1qfx s ALA 113 CO 0.00 -0.71 1.07 -1.21 0.00 0.00 0.00 175.76 174.92 1qfx s GLU 114 N -5.15 4.22 0.54 0.00 0.41 -1.26 -0.85 118.70 116.60 1qfx s GLU 114 Ca 0.55 1.60 -0.15 0.00 -0.41 0.00 0.00 54.97 56.56 1qfx s GLU 114 Cb -0.11 -2.66 -0.07 0.00 -1.78 0.00 0.00 34.13 29.51 1qfx s GLU 114 CO 0.53 -0.12 0.99 0.95 -0.49 0.00 0.00 175.26 177.12 1qfx s THR 115 N -1.54 4.57 -0.10 3.63 -4.23 -0.35 -4.82 115.64 112.80 1qfx s THR 115 Ca 0.56 1.14 0.25 0.00 -1.18 0.00 0.00 61.69 62.45 1qfx s THR 115 Cb -0.25 -3.75 0.46 0.00 1.34 0.00 0.00 72.50 70.30 1qfx s THR 115 CO 0.31 -0.79 1.15 0.35 -0.54 0.00 0.00 174.62 175.10 1qfx n THR 116 N -1.83 0.50 -3.75 3.99 -2.24 -1.26 -2.17 114.28 107.51 1qfx n THR 116 Ca 0.06 -1.75 -0.14 0.00 -2.27 0.00 0.00 64.05 59.96 1qfx n THR 116 Cb 0.54 1.12 -0.09 0.00 -2.10 0.00 0.00 70.33 69.80 1qfx n THR 116 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qfx s SER 117 N -2.70 -0.21 0.00 3.42 1.04 -1.26 -5.03 113.70 108.95 1qfx s SER 117 Ca 0.31 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.86 1qfx s SER 117 Cb 0.36 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1qfx s SER 117 CO -0.12 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.26 1qfx n GLY 118 N 1.26 -0.98 0.22 7.32 0.00 -1.25 -3.58 105.19 108.19 1qfx n GLY 118 Ca -0.21 -1.65 0.15 0.00 0.00 0.00 0.00 46.02 44.31 1qfx n GLY 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qfx h PRO 119 N 0.00 0.00 -0.53 1.61 0.13 -1.90 -2.90 132.00 128.41 1qfx h PRO 119 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1qfx h PRO 119 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1qfx h PRO 119 CO 0.00 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.43 1qfx n TYR 120 N -2.76 0.91 -1.60 1.56 4.01 -1.26 -4.89 117.16 113.13 1qfx n TYR 120 Ca 0.01 -0.56 -0.47 0.00 -0.16 0.00 0.00 57.90 56.71 1qfx n TYR 120 Cb 0.27 -0.10 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 1qfx n TYR 120 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qfx n ALA 121 N 0.90 -0.38 -0.26 -0.72 0.00 -1.10 -4.59 120.51 114.36 1qfx n ALA 121 Ca 0.20 0.44 -0.03 0.00 0.00 0.00 0.00 53.44 54.06 1qfx n ALA 121 Cb 0.64 -2.07 0.09 0.00 0.00 0.00 0.00 19.45 18.12 1qfx n ALA 121 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1qfx h GLY 122 N 3.31 1.07 1.57 0.00 0.00 -1.40 -0.80 103.07 106.83 1qfx h GLY 122 Ca -0.43 -0.35 -0.16 0.00 0.00 0.00 0.00 47.33 46.39 1qfx h GLY 122 CO 0.70 0.29 -0.59 1.41 0.00 0.00 0.00 176.54 178.34 1qfx h LEU 123 N 0.90 0.50 -0.81 3.11 3.38 -1.80 -2.41 115.31 118.17 1qfx h LEU 123 Ca 0.30 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1qfx h LEU 123 Cb 0.04 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1qfx h LEU 123 CO -0.12 0.97 0.18 0.25 0.09 0.00 0.00 178.44 179.82 1qfx h LEU 124 N 0.33 1.01 0.20 1.67 5.85 -1.77 -1.41 115.31 121.19 1qfx h LEU 124 Ca -0.00 -0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1qfx h LEU 124 Cb 1.12 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1qfx h LEU 124 CO 0.10 0.96 -0.27 -0.78 -0.34 0.00 0.00 178.44 178.12 1qfx h ASP 125 N 1.03 -0.73 -0.33 1.25 1.82 -0.91 0.12 116.42 118.67 1qfx h ASP 125 Ca 0.22 0.07 0.03 0.00 -0.39 0.00 0.00 57.03 56.97 1qfx h ASP 125 Cb 0.33 0.26 -0.03 0.00 0.68 0.00 0.00 39.33 40.57 1qfx h ASP 125 CO -0.00 -0.37 0.13 0.00 -1.61 0.00 0.00 179.24 177.39 1qfx h ALA 126 N 0.14 0.38 -0.69 -0.78 0.00 -1.28 0.13 119.26 117.17 1qfx h ALA 126 Ca 0.01 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1qfx h ALA 126 Cb 0.51 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1qfx h ALA 126 CO -0.10 -0.26 0.14 -0.92 0.00 0.00 0.00 179.25 178.11 1qfx h TYR 127 N 0.28 1.19 -0.35 0.00 3.20 -1.07 -1.30 116.97 118.93 1qfx h TYR 127 Ca 0.14 -0.16 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1qfx h TYR 127 Cb 0.09 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 1qfx h TYR 127 CO -0.12 0.98 0.06 -0.97 -1.64 0.00 0.00 178.16 176.47 1qfx h ASN 128 N 1.06 0.55 -0.88 -2.11 -0.73 -0.47 -2.26 115.58 110.73 1qfx h ASN 128 Ca 0.21 -0.26 -0.01 0.00 1.87 0.00 0.00 56.30 58.12 1qfx h ASN 128 Cb 0.41 -0.15 -0.04 0.00 0.27 0.00 0.00 38.32 38.82 1qfx h ASN 128 CO 0.01 0.67 0.52 -0.74 -0.37 0.00 0.00 177.43 177.52 1qfx h HIS 129 N 0.41 1.17 -0.37 0.67 2.76 -0.71 -1.56 115.15 117.52 1qfx h HIS 129 Ca 0.11 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.21 1qfx h HIS 129 Cb 0.35 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 1qfx h HIS 129 CO 0.02 0.79 0.03 0.78 -1.30 0.00 0.00 177.93 178.25 1qfx h GLY 130 N 1.23 0.68 1.18 5.26 0.00 -1.11 -0.72 103.07 109.60 1qfx h GLY 130 Ca 0.32 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1qfx h GLY 130 CO -0.06 0.45 0.35 3.43 0.00 0.00 0.00 176.54 180.71 1qfx h ASN 131 N 0.46 0.96 0.13 0.19 2.35 -1.14 -0.91 115.58 117.62 1qfx h ASN 131 Ca 0.11 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1qfx h ASN 131 Cb 0.42 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1qfx h ASN 131 CO 0.01 0.81 -0.06 -0.78 -1.65 0.00 0.00 177.43 175.77 1qfx h ASP 132 N 1.05 -0.14 0.39 5.81 3.58 -1.13 -2.85 116.42 123.13 1qfx h ASP 132 Ca 0.25 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 1qfx h ASP 132 Cb 0.12 0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.20 1qfx h ASP 132 CO -0.03 0.10 -0.06 1.88 -2.88 0.00 0.00 179.24 178.25 1qfx h TYR 133 N -0.39 0.00 -0.33 0.28 -1.99 -0.91 -2.16 116.97 111.48 1qfx h TYR 133 Ca -0.02 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.68 1qfx h TYR 133 Cb 0.31 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.03 1qfx h TYR 133 CO -0.00 0.06 0.07 -0.22 -0.00 0.00 0.00 178.16 178.07 1qfx h LYS 134 N 0.00 0.54 -0.45 4.88 1.63 -0.94 0.17 116.57 122.41 1qfx h LYS 134 Ca -0.00 -0.14 -0.11 0.00 -0.85 0.00 0.00 60.65 59.55 1qfx h LYS 134 Cb 0.27 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1qfx h LYS 134 CO 0.01 0.61 -0.15 0.00 -3.45 0.00 0.00 179.45 176.47 1qfx h ALA 135 N 0.91 0.62 -0.17 5.00 0.00 -1.30 0.24 119.26 124.56 1qfx h ALA 135 Ca 0.10 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 1qfx h ALA 135 Cb 0.32 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1qfx h ALA 135 CO 0.00 0.55 -0.69 -0.09 0.00 0.00 0.00 179.25 179.02 1qfx h ARG 136 N 0.72 0.70 0.00 0.00 2.43 -1.30 -3.36 114.38 113.58 1qfx h ARG 136 Ca 0.11 -0.53 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1qfx h ARG 136 Cb 0.71 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1qfx h ARG 136 CO 0.05 1.15 -0.02 0.66 -1.51 0.00 0.00 179.97 180.30 1qfx n TYR 137 N -3.93 0.00 -0.16 2.20 4.01 0.60 -4.77 117.16 115.11 1qfx n TYR 137 Ca -0.06 -0.65 0.11 0.00 -0.16 0.00 0.00 57.90 57.14 1qfx n TYR 137 Cb 0.70 -0.09 0.43 0.00 -0.31 0.00 0.00 39.34 40.07 1qfx n TYR 137 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1qfx h GLY 138 N 0.00 0.82 1.79 2.72 0.00 -0.59 -0.55 103.07 107.26 1qfx h GLY 138 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1qfx h GLY 138 CO 0.00 0.13 0.08 1.12 0.00 0.00 0.00 176.54 177.87 1qfx h HIS 139 N 0.57 0.00 -0.24 5.60 2.07 -1.86 -1.35 115.15 119.94 1qfx h HIS 139 Ca 0.33 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.85 1qfx h HIS 139 Cb 0.52 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.50 1qfx h HIS 139 CO -0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 1qfx n LEU 140 N -2.25 2.07 -3.96 6.12 4.77 -0.21 -4.77 117.00 118.78 1qfx n LEU 140 Ca -0.01 -0.90 -0.25 0.00 -0.03 0.00 0.00 56.01 54.81 1qfx n LEU 140 Cb 0.11 -0.16 -0.17 0.00 -2.33 0.00 0.00 43.42 40.88 1qfx n LEU 140 CO 0.09 0.45 -0.45 0.86 -1.33 0.00 0.00 177.39 177.01 1qfx s TRP 141 N -1.68 1.41 -2.06 -1.77 -0.00 -0.51 -4.72 118.94 109.60 1qfx s TRP 141 Ca 0.33 -0.60 0.16 0.00 -0.00 0.00 0.00 56.10 55.98 1qfx s TRP 141 Cb 0.18 -1.11 0.83 0.00 -0.00 0.00 0.00 33.47 33.36 1qfx s TRP 141 CO 0.26 -0.38 1.55 0.27 -0.00 0.00 0.00 176.95 178.65 1qfx n ASN 142 N 4.35 0.46 0.00 5.86 0.23 -1.26 -4.89 115.26 120.01 1qfx n ASN 142 Ca -0.18 -1.60 0.00 0.00 -0.53 0.00 0.00 54.58 52.27 1qfx n ASN 142 Cb 0.51 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 1qfx n ASN 142 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1qfx n GLY 143 N 0.84 0.86 0.36 4.83 0.00 -1.26 -4.80 105.19 106.02 1qfx n GLY 143 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1qfx n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qfx n GLU 144 N -2.20 0.00 -1.72 1.61 -0.58 -1.26 -5.07 120.64 111.43 1qfx n GLU 144 Ca 0.00 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 1qfx n GLU 144 Cb 0.00 -0.78 0.07 0.00 -0.57 0.00 0.00 31.44 30.16 1qfx n GLU 144 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1qfx n THR 145 N -2.57 4.74 -3.47 2.62 -1.04 -1.26 -4.98 114.28 108.31 1qfx n THR 145 Ca 0.00 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.10 1qfx n THR 145 Cb 0.45 -1.47 -0.10 0.00 -1.82 0.00 0.00 70.33 67.39 1qfx n THR 145 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1qfx s VAL 146 N -1.39 5.24 -0.29 12.58 1.01 -1.26 -4.80 120.40 131.49 1qfx s VAL 146 Ca 0.81 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 62.35 1qfx s VAL 146 Cb -0.39 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1qfx s VAL 146 CO 0.42 -0.14 0.39 -0.69 0.00 0.00 0.00 175.10 175.08 1qfx s VAL 147 N 1.81 5.15 0.33 2.92 1.01 0.91 -4.90 120.40 127.62 1qfx s VAL 147 Ca 0.08 0.48 -0.26 0.00 0.00 0.00 0.00 61.98 62.27 1qfx s VAL 147 Cb -0.18 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 1qfx s VAL 147 CO 0.11 0.07 0.96 -2.16 0.00 0.00 0.00 175.10 174.08 1qfx s PRO 148 N 2.11 4.56 0.10 2.72 0.04 -1.26 -0.48 135.00 142.79 1qfx s PRO 148 Ca 0.15 1.36 0.06 0.00 0.04 0.00 0.00 61.00 62.60 1qfx s PRO 148 Cb -0.16 -2.80 -0.03 0.00 0.04 0.00 0.00 34.50 31.55 1qfx s PRO 148 CO 0.11 0.25 -0.14 -0.59 0.04 0.00 0.00 177.00 176.67 1qfx s PHE 149 N -1.60 1.33 -0.03 0.56 -0.71 -0.38 -4.67 117.98 112.49 1qfx s PHE 149 Ca 0.50 -0.53 0.07 0.00 -1.04 0.00 0.00 56.93 55.93 1qfx s PHE 149 Cb -0.19 -0.71 -0.02 0.00 -1.21 0.00 0.00 43.02 40.89 1qfx s PHE 149 CO 0.25 0.11 -0.24 -0.06 -1.34 0.00 0.00 175.22 173.93 1qfx s PHE 150 N -1.88 2.18 0.02 3.49 0.40 -0.43 -0.53 117.98 121.23 1qfx s PHE 150 Ca 0.05 -0.46 0.03 0.00 -0.60 0.00 0.00 56.93 55.95 1qfx s PHE 150 Cb -0.06 -1.41 -0.01 0.00 0.51 0.00 0.00 43.02 42.04 1qfx s PHE 150 CO 0.03 -0.07 -0.08 0.45 0.70 0.00 0.00 175.22 176.24 1qfx s SER 151 N -0.48 0.96 0.65 1.36 0.15 -0.70 -0.83 113.70 114.81 1qfx s SER 151 Ca 0.07 -0.31 -0.13 0.00 0.70 0.00 0.00 55.95 56.28 1qfx s SER 151 Cb -0.10 -0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.14 1qfx s SER 151 CO -0.00 -0.02 1.05 -0.94 1.20 0.00 0.00 173.24 174.54 1qfx s SER 152 N -0.77 5.60 -1.23 5.45 1.04 -0.67 0.10 113.70 123.22 1qfx s SER 152 Ca -0.01 1.68 -0.19 0.00 0.48 0.00 0.00 55.95 57.91 1qfx s SER 152 Cb -0.06 -2.51 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 1qfx s SER 152 CO 0.00 -1.29 1.93 0.61 0.98 0.00 0.00 173.24 175.48 1qfx n GLY 153 N -1.65 2.69 3.23 7.32 0.00 0.13 -4.39 105.19 112.52 1qfx n GLY 153 Ca 0.08 -1.29 -0.11 0.00 0.00 0.00 0.00 46.02 44.70 1qfx n GLY 153 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qfx s TYR 154 N 5.61 -0.56 0.07 1.61 6.14 -1.20 -1.85 117.35 127.16 1qfx s TYR 154 Ca 0.56 1.20 -0.13 0.00 0.64 0.00 0.00 57.07 59.35 1qfx s TYR 154 Cb 0.07 0.22 -0.03 0.00 0.42 0.00 0.00 41.96 42.65 1qfx s TYR 154 CO 0.06 -0.33 1.10 0.41 0.64 0.00 0.00 175.55 177.42 1qfx n GLY 155 N 4.35 -2.53 0.29 8.97 0.00 -0.21 -0.99 105.19 115.08 1qfx n GLY 155 Ca -0.23 0.76 0.07 0.00 0.00 0.00 0.00 46.02 46.63 1qfx n GLY 155 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1qfx h ARG 156 N 0.00 0.27 -0.14 1.61 0.11 -1.82 -0.67 114.38 113.75 1qfx h ARG 156 Ca 0.07 -0.02 -0.05 0.00 0.10 0.00 0.00 59.98 60.08 1qfx h ARG 156 Cb 0.17 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 31.19 1qfx h ARG 156 CO -0.39 0.18 -0.13 0.28 0.10 0.00 0.00 179.97 180.01 1qfx h VAL 157 N 0.28 1.35 -0.56 0.08 2.07 -1.55 -2.26 116.25 115.65 1qfx h VAL 157 Ca 0.09 -1.28 0.02 0.00 0.82 0.00 0.00 66.70 66.35 1qfx h VAL 157 Cb 0.02 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1qfx h VAL 157 CO -0.02 0.37 0.35 0.40 0.02 0.00 0.00 177.57 178.69 1qfx h ILE 158 N -0.05 1.09 -0.14 4.57 2.04 -0.47 -0.31 117.51 124.23 1qfx h ILE 158 Ca 0.02 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 1qfx h ILE 158 Cb 0.65 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1qfx h ILE 158 CO 0.03 0.13 -0.19 -0.33 0.00 0.00 0.00 178.15 177.79 1qfx h GLU 159 N 0.70 0.23 -0.18 2.37 4.39 -1.10 -0.58 114.58 120.41 1qfx h GLU 159 Ca 0.22 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 1qfx h GLU 159 Cb -0.01 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1qfx h GLU 159 CO -0.08 0.43 -0.14 1.15 -1.16 0.00 0.00 179.01 179.20 1qfx h THR 160 N 0.22 1.33 -0.25 1.13 2.02 -0.73 -2.44 112.91 114.18 1qfx h THR 160 Ca 0.04 -1.27 0.04 0.00 0.77 0.00 0.00 66.41 65.99 1qfx h THR 160 Cb 0.47 1.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.62 1qfx h THR 160 CO 0.03 0.38 0.04 0.00 0.37 0.00 0.00 175.52 176.34 1qfx h ALA 161 N 0.65 0.25 -0.36 6.16 0.00 -0.68 0.03 119.26 125.31 1qfx h ALA 161 Ca 0.03 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1qfx h ALA 161 Cb 0.66 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1qfx h ALA 161 CO 0.04 -0.38 0.19 0.00 0.00 0.00 0.00 179.25 179.10 1qfx h ARG 162 N 0.13 0.38 -0.02 0.00 3.08 -1.11 0.84 114.38 117.68 1qfx h ARG 162 Ca 0.11 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 60.03 1qfx h ARG 162 Cb 0.12 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1qfx h ARG 162 CO -0.16 0.25 -0.50 0.87 -1.07 0.00 0.00 179.97 179.36 1qfx h LYS 163 N 0.39 0.04 0.21 0.04 1.79 -1.06 -1.57 116.57 116.41 1qfx h LYS 163 Ca 0.15 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 1qfx h LYS 163 Cb 0.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1qfx h LYS 163 CO -0.09 0.53 -0.10 0.35 -1.08 0.00 0.00 179.45 179.06 1qfx h PHE 164 N 0.03 -0.26 -1.00 -1.35 3.04 -0.53 -2.19 116.94 114.68 1qfx h PHE 164 Ca -0.00 -0.01 0.18 0.00 3.98 0.00 0.00 57.97 62.12 1qfx h PHE 164 Cb 0.89 0.09 -0.10 0.00 2.56 0.00 0.00 35.95 39.38 1qfx h PHE 164 CO 0.00 0.13 0.62 0.78 -2.02 0.00 0.00 178.31 177.82 1qfx h GLY 165 N -0.76 1.71 1.81 2.40 0.00 -0.78 0.14 103.07 107.59 1qfx h GLY 165 Ca -0.03 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 1qfx h GLY 165 CO 0.05 -0.03 -0.46 -2.09 0.00 0.00 0.00 176.54 174.00 1qfx h GLU 166 N 0.77 0.21 -0.19 4.80 4.81 -1.25 -0.49 114.58 123.24 1qfx h GLU 166 Ca 0.56 -0.11 -0.11 0.00 -0.13 0.00 0.00 59.36 59.58 1qfx h GLU 166 Cb 0.87 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 1qfx h GLU 166 CO -0.35 0.63 -0.30 0.78 -0.73 0.00 0.00 179.01 179.04 1qfx h GLY 167 N 1.30 0.59 0.64 1.92 0.00 -0.15 -0.70 103.07 106.68 1qfx h GLY 167 Ca 0.01 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 1qfx h GLY 167 CO 0.07 0.59 -0.17 -2.75 0.00 0.00 0.00 176.54 174.28 1qfx h PHE 168 N 0.20 -0.45 0.00 5.60 3.04 -0.92 -3.28 116.94 121.13 1qfx h PHE 168 Ca 0.02 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1qfx h PHE 168 Cb 0.88 0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.54 1qfx h PHE 168 CO 0.09 -0.12 -0.13 0.74 -2.02 0.00 0.00 178.31 176.88 1qfx h PHE 169 N -0.84 0.00 0.00 0.41 0.04 -1.22 -3.45 116.94 111.88 1qfx h PHE 169 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1qfx h PHE 169 Cb 0.53 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1qfx h PHE 169 CO 0.02 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.14 1qfx n GLY 170 N 1.20 2.90 0.38 -1.45 0.00 -0.27 -1.37 105.19 106.58 1qfx n GLY 170 Ca 0.04 0.26 0.19 0.00 0.00 0.00 0.00 46.02 46.51 1qfx n GLY 170 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1qfx h TYR 171 N 0.00 0.00 -0.32 1.61 0.05 -1.93 -1.08 116.97 115.31 1qfx h TYR 171 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1qfx h TYR 171 Cb 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 1qfx h TYR 171 CO 0.00 0.00 0.00 0.09 -1.05 0.00 0.00 178.16 177.20 1qfx n ASN 172 N -3.45 4.17 -0.18 3.88 5.03 -0.47 -4.66 115.26 119.59 1qfx n ASN 172 Ca 0.05 -3.03 -0.10 0.00 0.87 0.00 0.00 54.58 52.37 1qfx n ASN 172 Cb 0.58 -0.57 0.01 0.00 -1.02 0.00 0.00 39.78 38.78 1qfx n ASN 172 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 1qfx h TYR 173 N 2.15 1.02 0.00 3.10 3.20 -1.22 0.56 116.97 125.77 1qfx h TYR 173 Ca 0.01 -0.19 -0.05 0.00 3.14 0.00 0.00 58.73 61.64 1qfx h TYR 173 Cb 1.55 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.56 1qfx h TYR 173 CO 0.62 0.96 -0.21 0.66 -1.64 0.00 0.00 178.16 178.54 1qfx h SER 174 N 0.79 0.00 0.00 -2.11 4.64 -1.83 -3.21 113.55 111.83 1qfx h SER 174 Ca 0.14 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.15 1qfx h SER 174 Cb 0.58 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.61 1qfx h SER 174 CO 0.03 0.21 -2.17 0.35 -0.87 0.00 0.00 176.83 174.39 1qfx n THR 175 N -3.42 1.17 -0.12 2.95 -2.24 -1.19 -4.76 114.28 106.67 1qfx n THR 175 Ca -0.00 -0.48 0.10 0.00 -2.27 0.00 0.00 64.05 61.40 1qfx n THR 175 Cb 0.40 -1.16 0.23 0.00 -2.10 0.00 0.00 70.33 67.71 1qfx n THR 175 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1qfx n ASN 176 N -3.05 3.44 -4.26 3.42 4.13 0.18 -4.89 115.26 114.23 1qfx n ASN 176 Ca -0.35 -1.97 -0.28 0.00 1.68 0.00 0.00 54.58 53.66 1qfx n ASN 176 Cb 0.90 -0.33 -0.15 0.00 -1.54 0.00 0.00 39.78 38.66 1qfx n ASN 176 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1qfx s ALA 177 N -1.10 1.90 -0.31 5.41 0.00 -1.21 -0.06 121.76 126.38 1qfx s ALA 177 Ca 0.37 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1qfx s ALA 177 Cb 0.20 -0.45 0.10 0.00 0.00 0.00 0.00 23.12 22.96 1qfx s ALA 177 CO 0.27 0.46 0.08 0.00 0.00 0.00 0.00 175.76 176.57 1qfx s ALA 178 N -0.61 1.80 -0.00 0.00 0.00 0.37 -4.65 121.76 118.67 1qfx s ALA 178 Ca 0.09 -1.82 -0.30 0.00 0.00 0.00 0.00 51.96 49.93 1qfx s ALA 178 Cb -0.09 -1.68 -0.06 0.00 0.00 0.00 0.00 23.12 21.30 1qfx s ALA 178 CO -0.00 -1.65 1.43 -1.17 0.00 0.00 0.00 175.76 174.37 1qfx s LEU 179 N 1.48 4.32 -0.21 0.00 2.96 -1.26 -1.25 118.68 124.72 1qfx s LEU 179 Ca 0.09 2.14 -0.02 0.00 -0.22 0.00 0.00 54.13 56.12 1qfx s LEU 179 Cb -0.18 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1qfx s LEU 179 CO -0.21 -0.75 -0.10 0.20 -1.32 0.00 0.00 176.35 174.17 1qfx s ASN 180 N 2.02 3.88 -0.25 3.68 0.01 0.32 -4.63 114.94 119.97 1qfx s ASN 180 Ca 0.65 -0.50 -0.10 0.00 -0.71 0.00 0.00 52.86 52.20 1qfx s ASN 180 Cb -0.32 -1.64 -0.05 0.00 0.41 0.00 0.00 41.25 39.65 1qfx s ASN 180 CO 0.27 -0.02 0.15 -0.63 -1.51 0.00 0.00 177.10 175.36 1qfx s ILE 181 N 1.41 5.14 -0.29 0.60 1.01 -1.26 -1.72 121.20 126.08 1qfx s ILE 181 Ca 0.05 0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.71 1qfx s ILE 181 Cb -0.14 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 1qfx s ILE 181 CO -0.07 0.33 0.16 -0.63 0.00 0.00 0.00 174.94 174.73 1qfx s ILE 182 N 1.29 4.95 0.40 2.92 -1.09 0.11 -4.87 121.20 124.91 1qfx s ILE 182 Ca 0.07 -0.06 -0.25 0.00 -2.23 0.00 0.00 60.65 58.18 1qfx s ILE 182 Cb -0.14 -3.40 -0.11 0.00 -1.58 0.00 0.00 42.46 37.22 1qfx s ILE 182 CO 0.06 0.20 1.03 -0.24 -1.23 0.00 0.00 174.94 174.76 1qfx n SER 183 N 5.02 1.36 -0.47 3.58 2.88 -1.26 0.20 113.62 124.93 1qfx n SER 183 Ca -0.14 1.06 0.13 0.00 -1.33 0.00 0.00 58.87 58.60 1qfx n SER 183 Cb 0.51 -1.35 0.51 0.00 -0.75 0.00 0.00 64.21 63.13 1qfx n SER 183 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1qfx n GLU 184 N 0.25 1.64 -2.09 -1.46 1.02 -1.26 -4.66 120.64 114.08 1qfx n GLU 184 Ca 0.09 -0.94 -0.39 0.00 -0.02 0.00 0.00 57.16 55.90 1qfx n GLU 184 Cb 0.38 -1.46 -0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1qfx n GLU 184 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1qfx s SER 185 N -1.91 6.26 0.57 1.62 0.15 -1.26 -4.91 113.70 114.22 1qfx s SER 185 Ca 0.37 2.58 0.28 0.00 0.70 0.00 0.00 55.95 59.88 1qfx s SER 185 Cb 0.20 -2.63 1.71 0.00 -1.71 0.00 0.00 66.02 63.59 1qfx s SER 185 CO 0.32 -0.88 2.21 1.05 1.20 0.00 0.00 173.24 177.14 1qfx h GLU 186 N 2.52 0.00 0.00 5.44 4.11 -1.92 -2.10 114.58 122.63 1qfx h GLU 186 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 1qfx h GLU 186 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1qfx h GLU 186 CO 0.62 0.03 0.20 0.28 0.07 0.00 0.00 179.01 180.21 1qfx h VAL 187 N 0.00 0.00 0.00 -1.06 2.07 -1.97 0.21 116.25 115.49 1qfx h VAL 187 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1qfx h VAL 187 Cb 0.08 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1qfx h VAL 187 CO 0.00 0.00 0.00 0.23 0.02 0.00 0.00 177.57 177.82 1qfx n MET 188 N -2.94 0.24 0.00 1.57 2.81 -0.79 -4.23 117.12 113.77 1qfx n MET 188 Ca -0.02 0.31 0.00 0.00 -1.81 0.00 0.00 57.70 56.18 1qfx n MET 188 Cb 0.25 -1.85 0.00 0.00 -0.71 0.00 0.00 33.22 30.92 1qfx n MET 188 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qfx n GLY 189 N 0.71 3.63 0.02 3.03 0.00 0.72 -1.00 105.19 112.31 1qfx n GLY 189 Ca 0.04 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1qfx n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qfx n ALA 190 N 11.58 2.76 -1.82 4.61 0.00 -0.09 -4.20 120.51 133.36 1qfx n ALA 190 Ca 0.00 -0.18 -0.41 0.00 0.00 0.00 0.00 53.44 52.85 1qfx n ALA 190 Cb 0.00 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.11 1qfx n ALA 190 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1qfx n ASP 191 N -1.69 6.40 -3.71 0.00 2.03 -0.17 -3.59 116.55 115.83 1qfx n ASP 191 Ca 0.06 -2.90 -0.12 0.00 0.52 0.00 0.00 54.79 52.35 1qfx n ASP 191 Cb 0.36 -1.52 -0.07 0.00 -0.72 0.00 0.00 41.12 39.17 1qfx n ASP 191 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1qfx s SER 192 N 1.73 -0.18 0.00 1.67 0.15 -1.26 -4.85 113.70 110.96 1qfx s SER 192 Ca 0.53 -0.15 0.23 0.00 0.70 0.00 0.00 55.95 57.25 1qfx s SER 192 Cb 0.15 0.39 0.05 0.00 -1.71 0.00 0.00 66.02 64.90 1qfx s SER 192 CO -0.06 -0.66 1.10 0.18 1.20 0.00 0.00 173.24 175.00 1qfx n LEU 193 N 0.45 1.21 -3.18 3.45 4.77 -1.26 -4.52 117.00 117.91 1qfx n LEU 193 Ca -0.18 -0.47 -0.20 0.00 -0.03 0.00 0.00 56.01 55.13 1qfx n LEU 193 Cb 0.60 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 1qfx n LEU 193 CO 0.20 0.26 -0.22 0.35 -1.33 0.00 0.00 177.39 176.65 1qfx n THR 194 N -1.00 -0.07 -1.64 -5.08 -2.24 -1.26 -4.87 114.28 98.11 1qfx n THR 194 Ca 0.07 -4.51 -0.41 0.00 -2.27 0.00 0.00 64.05 56.93 1qfx n THR 194 Cb 0.37 -0.80 0.02 0.00 -2.10 0.00 0.00 70.33 67.82 1qfx n THR 194 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1qfx n PRO 195 N 0.56 1.46 -3.77 -0.78 -0.02 -1.26 -4.92 135.00 126.26 1qfx n PRO 195 Ca 0.24 0.53 -0.31 0.00 -2.02 0.00 0.00 63.50 61.94 1qfx n PRO 195 Cb 0.61 -2.18 -0.04 0.00 -0.02 0.00 0.00 33.50 31.87 1qfx n PRO 195 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1qfx s THR 196 N -1.29 5.26 -0.11 3.45 2.01 -1.26 -5.05 115.64 118.66 1qfx s THR 196 Ca 0.65 -0.13 -0.03 0.00 0.31 0.00 0.00 61.69 62.49 1qfx s THR 196 Cb -0.52 -3.62 0.05 0.00 0.01 0.00 0.00 72.50 68.42 1qfx s THR 196 CO 0.55 0.09 0.13 0.00 -0.69 0.00 0.00 174.62 174.70 1qfx s ASP 198 N 2.23 4.98 -0.60 0.00 3.84 -1.24 -4.94 116.67 120.94 1qfx s ASP 198 Ca 0.04 2.70 -0.02 0.00 -0.00 0.00 0.00 52.55 55.27 1qfx s ASP 198 Cb -0.13 -2.63 0.36 0.00 -1.38 0.00 0.00 42.92 39.14 1qfx s ASP 198 CO -0.07 -1.76 2.08 0.41 -0.00 0.00 0.00 175.17 175.83 1qfx n THR 199 N -1.42 3.42 -2.81 2.11 -1.04 -1.26 -4.84 114.28 108.45 1qfx n THR 199 Ca 0.13 -2.82 -0.43 0.00 -2.04 0.00 0.00 64.05 58.89 1qfx n THR 199 Cb 0.46 -1.23 -0.02 0.00 -1.82 0.00 0.00 70.33 67.72 1qfx n THR 199 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1qfx s ASP 200 N -1.16 6.69 0.00 8.00 3.68 -1.26 -5.09 116.67 127.52 1qfx s ASP 200 Ca 0.55 -2.09 0.00 0.00 2.13 0.00 0.00 52.55 53.15 1qfx s ASP 200 Cb 0.43 -2.46 0.00 0.00 -1.45 0.00 0.00 42.92 39.45 1qfx s ASP 200 CO -0.07 -1.13 0.00 -0.46 0.13 0.00 0.00 175.17 173.63 1qfx n ASN 201 N 7.15 0.00 0.00 -0.34 0.23 -1.26 -5.19 115.26 115.86 1qfx n ASN 201 Ca 0.31 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.36 1qfx n ASN 201 Cb 0.48 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 1qfx n ASN 201 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 1qfx n THR 204 N 0.00 0.00 -0.07 5.53 5.66 -1.26 -5.20 114.28 118.94 1qfx n THR 204 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 1qfx n THR 204 Cb 0.00 0.00 0.21 0.00 -1.55 0.00 0.00 70.33 68.99 1qfx n THR 204 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1qfx h THR 205 N 0.00 1.23 -0.91 1.09 2.02 -1.94 -2.54 112.91 111.86 1qfx h THR 205 Ca 0.00 -0.91 0.06 0.00 0.77 0.00 0.00 66.41 66.33 1qfx h THR 205 Cb 0.00 0.89 -0.06 0.00 -1.74 0.00 0.00 68.15 67.24 1qfx h THR 205 CO 0.00 0.32 0.57 0.00 0.37 0.00 0.00 175.52 176.78 1qfx h ASP 207 N 1.05 0.00 -0.47 0.00 3.32 -1.84 -3.14 116.42 115.34 1qfx h ASP 207 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1qfx h ASP 207 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1qfx h ASP 207 CO -0.17 0.24 0.00 0.59 -1.72 0.00 0.00 179.24 178.18 1qfx n ASN 208 N -3.45 3.23 -4.76 6.45 3.02 -0.60 -4.97 115.26 114.18 1qfx n ASN 208 Ca -0.00 -1.96 -0.41 0.00 -0.03 0.00 0.00 54.58 52.17 1qfx n ASN 208 Cb 0.42 -0.31 -0.01 0.00 -0.61 0.00 0.00 39.78 39.27 1qfx n ASN 208 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qfx s LEU 209 N -1.30 4.35 0.12 3.41 1.43 -1.00 -4.92 118.68 120.76 1qfx s LEU 209 Ca 0.40 2.93 0.19 0.00 -1.03 0.00 0.00 54.13 56.62 1qfx s LEU 209 Cb 0.22 -3.64 -0.08 0.00 0.03 0.00 0.00 46.19 42.71 1qfx s LEU 209 CO 0.30 -0.87 0.91 0.71 0.23 0.00 0.00 176.35 177.63 1qfx h THR 210 N 3.30 0.32 -3.38 5.49 1.35 -1.93 -3.48 112.91 114.58 1qfx h THR 210 Ca -0.48 -1.63 -0.37 0.00 -0.55 0.00 0.00 66.41 63.39 1qfx h THR 210 Cb 1.22 1.84 0.02 0.00 -1.73 0.00 0.00 68.15 69.50 1qfx h THR 210 CO 0.75 0.18 -0.51 -1.22 -0.25 0.00 0.00 175.52 174.47 1qfx n TYR 211 N -2.82 -1.34 -4.13 4.73 4.02 -1.26 -4.99 117.16 111.37 1qfx n TYR 211 Ca -0.06 0.25 -0.15 0.00 -0.01 0.00 0.00 57.90 57.93 1qfx n TYR 211 Cb 0.73 -3.91 -0.12 0.00 -0.02 0.00 0.00 39.34 36.02 1qfx n TYR 211 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1qfx s GLN 212 N -5.27 0.57 -0.01 -0.72 -1.52 -1.26 -4.91 119.66 106.54 1qfx s GLN 212 Ca 0.14 -0.62 -0.15 0.00 -1.95 0.00 0.00 55.36 52.78 1qfx s GLN 212 Cb -0.06 -0.43 0.02 0.00 -0.22 0.00 0.00 33.01 32.32 1qfx s GLN 212 CO 0.18 0.10 0.31 -0.51 -0.25 0.00 0.00 175.29 175.11 1qfx s LEU 213 N -1.16 0.86 0.37 2.90 1.43 -1.26 -4.95 118.68 116.87 1qfx s LEU 213 Ca -0.05 0.06 0.19 0.00 -1.03 0.00 0.00 54.13 53.29 1qfx s LEU 213 Cb -0.08 1.27 1.17 0.00 0.03 0.00 0.00 46.19 48.59 1qfx s LEU 213 CO 0.00 -0.46 1.67 -0.65 0.23 0.00 0.00 176.35 177.14 1qfx h PRO 214 N 3.80 0.26 -0.25 1.29 0.11 -2.00 -1.53 132.00 133.68 1qfx h PRO 214 Ca -0.30 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.87 1qfx h PRO 214 Cb 1.18 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1qfx h PRO 214 CO 0.41 0.17 0.23 1.96 -0.21 0.00 0.00 178.00 180.56 1qfx h GLN 215 N 0.27 0.00 0.00 1.05 1.08 -1.96 -0.13 115.11 115.42 1qfx h GLN 215 Ca 0.74 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.89 1qfx h GLN 215 Cb 1.87 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.29 1qfx h GLN 215 CO -0.53 0.00 -0.24 0.74 -0.95 0.00 0.00 178.83 177.85 1qfx h PHE 216 N 0.00 0.00 -0.46 2.96 0.04 -1.64 -1.93 116.94 115.92 1qfx h PHE 216 Ca 0.12 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.78 1qfx h PHE 216 Cb 0.58 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 1qfx h PHE 216 CO 0.00 0.24 -0.14 0.87 -0.60 0.00 0.00 178.31 178.67 1qfx h LYS 217 N 0.00 0.86 -0.59 1.51 1.57 -1.18 -1.36 116.57 117.39 1qfx h LYS 217 Ca -0.00 -0.31 -0.10 0.00 -1.87 0.00 0.00 60.65 58.36 1qfx h LYS 217 Cb 0.44 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1qfx h LYS 217 CO 0.03 0.95 -0.04 0.28 -0.57 0.00 0.00 179.45 180.11 1qfx h VAL 218 N 0.77 1.27 0.03 0.50 2.07 -1.39 -1.26 116.25 118.24 1qfx h VAL 218 Ca 0.12 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1qfx h VAL 218 Cb 0.66 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1qfx h VAL 218 CO 0.05 0.43 -0.02 0.00 0.02 0.00 0.00 177.57 178.05 1qfx h ALA 219 N 0.99 -0.04 -0.34 1.67 0.00 -1.23 -0.81 119.26 119.49 1qfx h ALA 219 Ca 0.16 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1qfx h ALA 219 Cb 0.60 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1qfx h ALA 219 CO 0.04 -0.40 0.02 0.00 0.00 0.00 0.00 179.25 178.90 1qfx h ALA 220 N 0.67 0.33 -0.51 0.00 0.00 -1.14 0.14 119.26 118.73 1qfx h ALA 220 Ca -0.00 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1qfx h ALA 220 Cb 0.27 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1qfx h ALA 220 CO 0.01 -0.38 0.33 0.00 0.00 0.00 0.00 179.25 179.21 1qfx h ALA 221 N 1.29 0.65 -0.47 0.00 0.00 -1.17 -0.91 119.26 118.66 1qfx h ALA 221 Ca 0.17 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1qfx h ALA 221 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1qfx h ALA 221 CO -0.26 0.11 -0.12 -0.09 0.00 0.00 0.00 179.25 178.89 1qfx h ARG 222 N 0.70 0.90 -0.25 0.00 2.43 -0.57 -2.27 114.38 115.32 1qfx h ARG 222 Ca 0.19 -0.35 -0.03 0.00 -0.81 0.00 0.00 59.98 58.98 1qfx h ARG 222 Cb -0.06 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1qfx h ARG 222 CO -0.04 1.00 0.03 -0.07 -1.51 0.00 0.00 179.97 179.38 1qfx h LEU 223 N 0.75 0.41 -1.18 3.80 3.38 -0.50 -2.36 115.31 119.61 1qfx h LEU 223 Ca 0.12 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1qfx h LEU 223 Cb 0.67 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1qfx h LEU 223 CO 0.05 0.58 0.30 0.78 0.09 0.00 0.00 178.44 180.23 1qfx h ASN 224 N 0.22 0.79 -0.21 -0.43 2.35 -1.18 -2.22 115.58 114.90 1qfx h ASN 224 Ca 0.08 -0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 1qfx h ASN 224 Cb 0.35 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1qfx h ASN 224 CO 0.01 0.67 -0.27 -1.28 -1.65 0.00 0.00 177.43 174.90 1qfx h SER 225 N 0.87 0.71 0.88 5.81 0.87 -1.30 -2.19 113.55 119.20 1qfx h SER 225 Ca 0.22 -0.27 -0.16 0.00 -1.23 0.00 0.00 61.79 60.35 1qfx h SER 225 Cb 0.09 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1qfx h SER 225 CO -0.03 0.94 -0.75 1.56 -0.53 0.00 0.00 176.83 178.03 1qfx h GLN 226 N 0.60 0.00 -2.21 2.24 4.20 -0.94 -3.39 115.11 115.60 1qfx h GLN 226 Ca 0.08 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.28 1qfx h GLN 226 Cb 0.77 0.00 -0.35 0.00 0.30 0.00 0.00 27.48 28.20 1qfx h GLN 226 CO 0.06 0.75 -0.85 -0.80 -0.67 0.00 0.00 178.83 177.32 1qfx s ASN 227 N -6.72 1.49 0.49 1.46 0.01 -0.88 -4.57 114.94 106.22 1qfx s ASN 227 Ca 0.00 -2.46 -0.23 0.00 -0.71 0.00 0.00 52.86 49.46 1qfx s ASN 227 Cb 0.11 -0.02 -0.06 0.00 0.41 0.00 0.00 41.25 41.68 1qfx s ASN 227 CO 0.78 -0.21 1.35 -2.84 -1.51 0.00 0.00 177.10 174.67 1qfx s PRO 228 N 0.64 3.45 0.00 -0.60 0.02 -0.83 -4.05 135.00 133.63 1qfx s PRO 228 Ca 0.26 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.51 1qfx s PRO 228 Cb -0.07 -2.44 0.00 0.00 0.02 0.00 0.00 34.50 32.01 1qfx s PRO 228 CO -0.10 -0.94 0.00 0.41 -0.33 0.00 0.00 177.00 176.04 1qfx n GLY 229 N 0.65 0.73 0.11 0.52 0.00 -1.26 -4.96 105.19 100.96 1qfx n GLY 229 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1qfx n GLY 229 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1qfx h MET 230 N 2.21 0.00 -6.25 1.61 2.86 -1.79 -3.46 114.93 110.11 1qfx h MET 230 Ca 0.00 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 57.18 1qfx h MET 230 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1qfx h MET 230 CO 0.00 0.40 -0.80 -1.71 1.06 0.00 0.00 176.91 175.86 1qfx n ASN 231 N -3.03 -2.88 -4.76 1.22 5.15 -1.26 -4.68 115.26 105.02 1qfx n ASN 231 Ca -0.05 -0.82 -0.40 0.00 -0.60 0.00 0.00 54.58 52.70 1qfx n ASN 231 Cb 0.81 -3.84 -0.04 0.00 -0.53 0.00 0.00 39.78 36.18 1qfx n ASN 231 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1qfx s LEU 232 N -7.01 4.52 0.57 1.20 1.43 -1.26 -5.04 118.68 113.08 1qfx s LEU 232 Ca 0.34 2.37 0.07 0.00 -1.03 0.00 0.00 54.13 55.87 1qfx s LEU 232 Cb -0.17 -3.63 0.06 0.00 0.03 0.00 0.00 46.19 42.48 1qfx s LEU 232 CO 0.83 -0.24 0.53 0.42 0.23 0.00 0.00 176.35 178.12 1qfx s THR 233 N -1.11 1.70 0.45 5.49 -4.23 -1.26 -4.84 115.64 111.84 1qfx s THR 233 Ca 0.46 -1.35 0.16 0.00 -1.18 0.00 0.00 61.69 59.77 1qfx s THR 233 Cb -0.34 -2.05 0.20 0.00 1.34 0.00 0.00 72.50 71.65 1qfx s THR 233 CO 0.44 0.00 2.01 0.00 -0.54 0.00 0.00 174.62 176.53 1qfx h ALA 234 N 0.54 1.69 -0.21 3.99 0.00 -1.94 -1.64 119.26 121.70 1qfx h ALA 234 Ca -0.34 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.23 1qfx h ALA 234 Cb 1.30 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.07 1qfx h ALA 234 CO 0.52 0.20 -0.62 0.77 0.00 0.00 0.00 179.25 180.13 1qfx h SER 235 N 0.00 0.90 -0.85 0.00 0.02 -1.93 -2.10 113.55 109.59 1qfx h SER 235 Ca -0.00 -0.58 -0.02 0.00 -0.84 0.00 0.00 61.79 60.34 1qfx h SER 235 Cb 0.29 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 1qfx h SER 235 CO 0.02 1.33 0.45 0.44 -1.14 0.00 0.00 176.83 177.93 1qfx h ASP 236 N 0.52 1.07 -0.46 3.07 3.32 -1.77 -1.64 116.42 120.53 1qfx h ASP 236 Ca -0.02 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1qfx h ASP 236 Cb 1.24 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 1qfx h ASP 236 CO 0.13 0.87 0.29 0.58 -1.72 0.00 0.00 179.24 179.40 1qfx h VAL 237 N 1.20 1.13 -0.31 -1.35 2.07 -1.20 0.11 116.25 117.90 1qfx h VAL 237 Ca 0.30 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.61 1qfx h VAL 237 Cb 0.05 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 1qfx h VAL 237 CO -0.05 0.13 0.02 0.22 0.02 0.00 0.00 177.57 177.91 1qfx h TYR 238 N 0.62 0.03 -0.00 1.57 3.20 -0.62 -0.07 116.97 121.70 1qfx h TYR 238 Ca 0.17 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.96 1qfx h TYR 238 Cb -0.05 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1qfx h TYR 238 CO -0.04 -0.03 -0.46 -0.91 -1.64 0.00 0.00 178.16 175.09 1qfx h ASN 239 N 0.12 0.01 0.70 -2.11 2.35 -0.96 -0.38 115.58 115.31 1qfx h ASN 239 Ca 0.15 -0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 1qfx h ASN 239 Cb 0.18 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1qfx h ASN 239 CO -0.23 0.47 -0.58 -0.07 -1.65 0.00 0.00 177.43 175.37 1qfx h LEU 240 N 0.01 0.00 -0.03 1.61 3.38 -0.15 -0.39 115.31 119.73 1qfx h LEU 240 Ca -0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 1qfx h LEU 240 Cb 0.82 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.57 1qfx h LEU 240 CO 0.06 0.58 -1.09 0.24 0.09 0.00 0.00 178.44 178.32 1qfx h MET 241 N 0.00 0.38 -0.26 1.13 2.86 -0.53 -0.66 114.93 117.85 1qfx h MET 241 Ca -0.01 -0.50 0.02 0.00 -2.06 0.00 0.00 59.70 57.15 1qfx h MET 241 Cb 1.08 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.88 1qfx h MET 241 CO 0.08 1.18 0.13 0.28 1.06 0.00 0.00 176.91 179.63 1qfx h VAL 242 N 0.18 0.99 -0.25 -2.22 2.07 -0.83 -0.22 116.25 115.96 1qfx h VAL 242 Ca -0.11 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.33 1qfx h VAL 242 Cb 1.76 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 1qfx h VAL 242 CO 0.19 0.05 0.13 -0.03 0.02 0.00 0.00 177.57 177.93 1qfx h MET 243 N 0.27 0.26 -0.79 1.57 -1.53 -0.99 -2.28 114.93 111.45 1qfx h MET 243 Ca 0.11 -0.02 -0.00 0.00 -3.44 0.00 0.00 59.70 56.35 1qfx h MET 243 Cb 0.03 -0.06 -0.04 0.00 -0.55 0.00 0.00 31.60 30.99 1qfx h MET 243 CO -0.08 0.17 0.49 0.00 0.14 0.00 0.00 176.91 177.64 1qfx h ALA 244 N 1.13 1.01 -0.58 0.39 0.00 -0.73 -1.68 119.26 118.80 1qfx h ALA 244 Ca 0.10 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1qfx h ALA 244 Cb 0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1qfx h ALA 244 CO -0.07 0.45 0.09 0.66 0.00 0.00 0.00 179.25 180.39 1qfx h SER 245 N 1.08 0.87 1.08 0.00 4.64 -0.73 -2.50 113.55 117.99 1qfx h SER 245 Ca 0.29 -0.19 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 1qfx h SER 245 Cb -0.07 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 61.78 1qfx h SER 245 CO -0.06 0.88 -0.17 -0.26 -0.87 0.00 0.00 176.83 176.36 1qfx h PHE 246 N 0.87 0.00 -0.92 4.77 0.04 -1.14 -3.24 116.94 117.32 1qfx h PHE 246 Ca 0.18 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.98 1qfx h PHE 246 Cb 0.38 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.48 1qfx h PHE 246 CO 0.02 0.17 0.60 1.49 -0.60 0.00 0.00 178.31 179.99 1qfx h GLU 247 N 0.00 1.14 -0.28 1.51 4.81 -0.83 -1.64 114.58 119.29 1qfx h GLU 247 Ca -0.00 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1qfx h GLU 247 Cb 0.75 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1qfx h GLU 247 CO 0.02 0.75 0.20 -0.07 -0.73 0.00 0.00 179.01 179.18 1qfx h LEU 248 N 1.17 0.07 -2.79 1.64 3.38 -1.66 -0.16 115.31 116.95 1qfx h LEU 248 Ca 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 1qfx h LEU 248 Cb -0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1qfx h LEU 248 CO -0.11 0.04 -0.00 0.78 0.09 0.00 0.00 178.44 179.24 1qfx h ASN 249 N 0.07 0.00 0.00 -0.43 2.35 -1.48 -2.98 115.58 113.12 1qfx h ASN 249 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1qfx h ASN 249 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1qfx h ASN 249 CO -0.01 0.00 -0.70 0.00 -1.65 0.00 0.00 177.43 175.07 1qfx n ALA 250 N -2.12 2.10 -2.52 -0.83 0.00 -0.23 -3.98 120.51 112.94 1qfx n ALA 250 Ca -0.03 -0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.25 1qfx n ALA 250 Cb 0.09 -0.05 -0.11 0.00 0.00 0.00 0.00 19.45 19.38 1qfx n ALA 250 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1qfx s ARG 251 N -1.75 0.73 0.32 0.00 0.52 -0.28 -3.85 118.95 114.64 1qfx s ARG 251 Ca -0.00 -1.07 0.08 0.00 -0.52 0.00 0.00 55.73 54.22 1qfx s ARG 251 Cb 0.01 -0.35 0.55 0.00 0.52 0.00 0.00 34.95 35.68 1qfx s ARG 251 CO 0.06 0.04 1.75 -1.00 0.02 0.00 0.00 175.30 176.18 1qfx h PRO 252 N 3.71 0.20 -4.84 3.54 0.13 -1.88 -3.38 132.00 129.49 1qfx h PRO 252 Ca -0.36 -0.08 -0.29 0.00 -0.87 0.00 0.00 66.00 64.40 1qfx h PRO 252 Cb 1.19 -0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.13 1qfx h PRO 252 CO 0.52 0.54 -0.72 -0.06 -0.23 0.00 0.00 178.00 178.05 1qfx s PHE 253 N -4.24 0.97 -0.15 1.56 0.40 -1.26 -4.99 117.98 110.27 1qfx s PHE 253 Ca -0.04 -0.70 -0.02 0.00 -0.60 0.00 0.00 56.93 55.57 1qfx s PHE 253 Cb 0.14 -0.54 0.05 0.00 0.51 0.00 0.00 43.02 43.17 1qfx s PHE 253 CO 0.76 -0.04 0.01 0.45 0.70 0.00 0.00 175.22 177.10 1qfx s SER 254 N -2.48 2.45 0.46 1.36 0.15 -1.26 -4.80 113.70 109.58 1qfx s SER 254 Ca 0.05 -0.55 0.25 0.00 0.70 0.00 0.00 55.95 56.40 1qfx s SER 254 Cb -0.02 -0.58 1.02 0.00 -1.71 0.00 0.00 66.02 64.73 1qfx s SER 254 CO -0.01 -0.25 1.87 0.78 1.20 0.00 0.00 173.24 176.82 1qfx h ASN 255 N 8.26 0.00 0.20 5.45 2.35 -2.00 -2.73 115.58 127.11 1qfx h ASN 255 Ca -0.18 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.53 1qfx h ASN 255 Cb 1.12 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.49 1qfx h ASN 255 CO 0.32 0.20 -0.18 -0.50 -1.65 0.00 0.00 177.43 175.62 1qfx h TRP 256 N 0.00 0.00 -0.62 1.19 4.06 -1.94 -1.66 115.95 116.99 1qfx h TRP 256 Ca -0.00 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 1qfx h TRP 256 Cb 0.68 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.81 1qfx h TRP 256 CO 0.00 0.18 0.20 0.82 -3.56 0.00 0.00 178.44 176.09 1qfx h ILE 257 N 0.00 1.23 0.00 1.49 2.04 -1.79 -2.35 117.51 118.13 1qfx h ILE 257 Ca -0.00 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.07 1qfx h ILE 257 Cb 0.33 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1qfx h ILE 257 CO 0.02 0.30 0.00 0.78 0.00 0.00 0.00 178.15 179.26 1qfx h ASN 258 N 0.91 0.00 0.91 1.72 2.35 -1.40 -2.95 115.58 117.11 1qfx h ASN 258 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1qfx h ASN 258 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1qfx h ASN 258 CO -0.01 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.77 1qfx n ALA 259 N -1.81 2.27 -2.56 -0.83 0.00 -0.88 -4.77 120.51 111.92 1qfx n ALA 259 Ca 0.02 -0.10 -0.26 0.00 0.00 0.00 0.00 53.44 53.10 1qfx n ALA 259 Cb 0.25 -1.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.16 1qfx n ALA 259 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1qfx s PHE 260 N -2.97 2.60 0.68 0.00 0.08 -1.12 -4.99 117.98 112.27 1qfx s PHE 260 Ca 0.14 -0.24 -0.08 0.00 0.12 0.00 0.00 56.93 56.88 1qfx s PHE 260 Cb 0.18 -1.26 0.04 0.00 -0.57 0.00 0.00 43.02 41.40 1qfx s PHE 260 CO 0.49 0.52 1.01 0.95 -0.10 0.00 0.00 175.22 178.10 1qfx s THR 261 N -1.75 2.94 0.21 0.64 -4.23 -1.26 -4.93 115.64 107.26 1qfx s THR 261 Ca 0.25 -0.01 -0.10 0.00 -1.18 0.00 0.00 61.69 60.65 1qfx s THR 261 Cb -0.08 -3.24 0.16 0.00 1.34 0.00 0.00 72.50 70.67 1qfx s THR 261 CO 0.15 -0.28 1.88 -0.61 -0.54 0.00 0.00 174.62 175.22 1qfx h GLN 262 N -0.52 0.97 0.00 3.99 5.75 -1.98 -1.46 115.11 121.87 1qfx h GLN 262 Ca -0.45 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 57.92 1qfx h GLN 262 Cb 1.29 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 1qfx h GLN 262 CO 0.62 0.64 -0.32 -0.44 -2.65 0.00 0.00 178.83 176.68 1qfx h ASP 263 N 1.00 0.00 -0.13 -0.69 3.32 -1.99 -1.27 116.42 116.66 1qfx h ASP 263 Ca 0.29 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.23 1qfx h ASP 263 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1qfx h ASP 263 CO -0.08 0.32 -0.34 -0.33 -1.72 0.00 0.00 179.24 177.10 1qfx h GLU 264 N 0.00 0.46 -0.90 3.56 5.08 -1.68 -2.88 114.58 118.21 1qfx h GLU 264 Ca -0.00 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1qfx h GLU 264 Cb 0.66 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 1qfx h GLU 264 CO 0.04 0.93 0.54 -1.49 -1.00 0.00 0.00 179.01 178.04 1qfx h TRP 265 N 0.06 1.19 -0.99 4.33 4.06 -1.02 0.38 115.95 123.96 1qfx h TRP 265 Ca -0.00 -0.00 0.04 0.00 2.06 0.00 0.00 58.89 60.98 1qfx h TRP 265 Cb 0.95 -0.39 -0.06 0.00 -1.00 0.00 0.00 29.16 28.66 1qfx h TRP 265 CO 0.11 0.79 0.65 0.28 -3.56 0.00 0.00 178.44 176.70 1qfx h VAL 266 N 1.25 1.17 -0.25 1.49 2.07 -1.20 0.27 116.25 121.05 1qfx h VAL 266 Ca 0.32 -0.43 -0.19 0.00 0.82 0.00 0.00 66.70 67.23 1qfx h VAL 266 Cb -0.05 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.53 1qfx h VAL 266 CO -0.06 0.23 -0.57 0.28 0.02 0.00 0.00 177.57 177.47 1qfx h SER 267 N 1.25 0.93 0.23 0.57 0.02 -1.12 -2.84 113.55 112.59 1qfx h SER 267 Ca 0.39 -0.55 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 1qfx h SER 267 Cb -0.00 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.27 1qfx h SER 267 CO -0.12 1.32 -0.11 0.15 -1.14 0.00 0.00 176.83 176.92 1qfx h PHE 268 N 0.59 -0.29 -1.00 3.45 3.57 -0.29 -0.57 116.94 122.39 1qfx h PHE 268 Ca 0.00 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.66 1qfx h PHE 268 Cb 1.18 0.10 -0.10 0.00 2.79 0.00 0.00 35.95 39.92 1qfx h PHE 268 CO 0.08 -0.18 0.62 0.78 -2.23 0.00 0.00 178.31 177.38 1qfx h GLY 269 N -0.32 1.68 1.45 2.40 0.00 -0.37 -0.47 103.07 107.45 1qfx h GLY 269 Ca -0.03 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 46.77 1qfx h GLY 269 CO 0.05 0.02 -0.49 -1.82 0.00 0.00 0.00 176.54 174.30 1qfx h TYR 270 N 0.82 0.72 -0.86 5.60 3.20 -1.21 -0.82 116.97 124.42 1qfx h TYR 270 Ca 0.55 -0.24 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 1qfx h TYR 270 Cb 0.78 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 1qfx h TYR 270 CO -0.00 0.96 0.44 0.28 -1.64 0.00 0.00 178.16 178.19 1qfx h VAL 271 N 0.46 1.26 -0.28 1.81 2.07 0.44 -1.68 116.25 120.34 1qfx h VAL 271 Ca 0.02 -0.69 -0.13 0.00 0.82 0.00 0.00 66.70 66.72 1qfx h VAL 271 Cb 1.02 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1qfx h VAL 271 CO 0.09 0.30 -0.36 -0.33 0.02 0.00 0.00 177.57 177.30 1qfx h GLU 272 N 1.22 0.62 -0.91 1.57 4.39 -0.94 -2.92 114.58 117.61 1qfx h GLU 272 Ca 0.30 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1qfx h GLU 272 Cb 0.08 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 1qfx h GLU 272 CO -0.04 0.89 0.53 -0.44 -1.16 0.00 0.00 179.01 178.78 1qfx h ASP 273 N 0.52 1.11 -0.91 1.42 3.32 -0.70 -2.15 116.42 119.03 1qfx h ASP 273 Ca 0.05 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1qfx h ASP 273 Cb 0.86 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 1qfx h ASP 273 CO 0.07 0.87 0.56 -0.07 -1.72 0.00 0.00 179.24 178.95 1qfx h LEU 274 N 1.26 1.08 0.39 1.55 3.38 -1.14 0.59 115.31 122.43 1qfx h LEU 274 Ca 0.32 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1qfx h LEU 274 Cb -0.02 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 1qfx h LEU 274 CO -0.06 0.82 -0.24 -1.13 0.09 0.00 0.00 178.44 177.92 1qfx h ASN 275 N 1.25 -0.60 -0.48 -0.43 -0.73 -1.25 -1.69 115.58 111.65 1qfx h ASN 275 Ca 0.33 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.52 1qfx h ASN 275 Cb -0.07 0.18 -0.02 0.00 0.27 0.00 0.00 38.32 38.67 1qfx h ASN 275 CO -0.06 -0.38 0.27 1.88 -0.37 0.00 0.00 177.43 178.76 1qfx h TYR 276 N -0.60 0.66 -0.35 0.67 0.05 -1.28 0.22 116.97 116.34 1qfx h TYR 276 Ca -0.04 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.79 1qfx h TYR 276 Cb 0.49 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 37.97 1qfx h TYR 276 CO -0.09 0.48 0.02 -0.92 -1.05 0.00 0.00 178.16 176.60 1qfx h TYR 277 N 0.64 0.01 0.00 4.88 3.20 -0.72 0.71 116.97 125.69 1qfx h TYR 277 Ca 0.17 0.02 -0.22 0.00 3.14 0.00 0.00 58.73 61.84 1qfx h TYR 277 Cb 0.04 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 1qfx h TYR 277 CO -0.02 -0.05 -1.47 1.88 -1.64 0.00 0.00 178.16 176.86 1qfx h TYR 278 N 0.12 0.00 0.00 -3.82 0.05 -1.18 0.12 116.97 112.26 1qfx h TYR 278 Ca 0.17 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.72 1qfx h TYR 278 Cb 0.23 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.93 1qfx h TYR 278 CO -0.23 0.79 -1.84 0.00 -1.05 0.00 0.00 178.16 175.82 1qfx n ALA 280 N -2.52 2.43 -3.00 0.00 0.00 -0.26 -5.00 120.51 112.16 1qfx n ALA 280 Ca -0.18 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.51 1qfx n ALA 280 Cb 0.95 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1qfx n ALA 280 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qfx n GLY 281 N 0.31 4.30 0.19 0.00 0.00 0.08 -3.69 105.19 106.39 1qfx n GLY 281 Ca 0.00 -1.36 0.09 0.00 0.00 0.00 0.00 46.02 44.75 1qfx n GLY 281 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1qfx h PRO 282 N 0.00 0.00 0.00 1.61 0.11 -1.84 0.37 132.00 132.25 1qfx h PRO 282 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1qfx h PRO 282 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1qfx h PRO 282 CO 0.00 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 178.57 1qfx h GLY 283 N 0.00 0.00 -7.17 -0.55 0.00 -1.06 -3.38 103.07 90.90 1qfx h GLY 283 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 1qfx h GLY 283 CO 0.00 0.00 -0.77 -0.35 0.00 0.00 0.00 176.54 175.42 1qfx s ASP 284 N -4.55 4.24 0.32 0.19 -1.08 0.12 -4.82 116.67 111.10 1qfx s ASP 284 Ca 0.07 -0.97 0.23 0.00 -0.52 0.00 0.00 52.55 51.35 1qfx s ASP 284 Cb 0.10 -1.63 1.18 0.00 -1.46 0.00 0.00 42.92 41.12 1qfx s ASP 284 CO 0.49 -0.13 1.71 0.07 0.52 0.00 0.00 175.17 177.83 1qfx h LYS 285 N 7.96 0.00 0.00 4.34 2.10 -1.81 -2.61 116.57 126.55 1qfx h LYS 285 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 1qfx h LYS 285 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 1qfx h LYS 285 CO 0.56 0.00 -0.38 0.09 -2.00 0.00 0.00 179.45 177.72 1qfx n ASN 286 N -2.30 0.49 0.07 7.07 3.02 -1.26 -4.15 115.26 118.20 1qfx n ASN 286 Ca -0.01 0.11 0.01 0.00 -0.03 0.00 0.00 54.58 54.67 1qfx n ASN 286 Cb 0.09 -0.05 0.34 0.00 -0.61 0.00 0.00 39.78 39.55 1qfx n ASN 286 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1qfx h MET 287 N 0.00 0.36 -0.70 3.52 2.86 -1.73 -2.60 114.93 116.64 1qfx h MET 287 Ca 0.00 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 1qfx h MET 287 Cb 0.60 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1qfx h MET 287 CO 0.00 0.47 0.22 0.00 1.06 0.00 0.00 176.91 178.66 1qfx h ALA 288 N 1.56 1.08 -0.59 6.32 0.00 -1.77 -0.54 119.26 125.31 1qfx h ALA 288 Ca 0.07 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1qfx h ALA 288 Cb 0.39 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1qfx h ALA 288 CO 0.02 0.63 0.09 0.00 0.00 0.00 0.00 179.25 180.00 1qfx h ALA 289 N 1.21 0.78 -0.59 0.00 0.00 -1.72 -0.14 119.26 118.80 1qfx h ALA 289 Ca 0.23 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1qfx h ALA 289 Cb 0.28 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1qfx h ALA 289 CO -0.01 0.54 0.22 0.28 0.00 0.00 0.00 179.25 180.28 1qfx h VAL 290 N 0.88 1.23 0.00 0.00 2.07 -1.18 -2.39 116.25 116.86 1qfx h VAL 290 Ca 0.18 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1qfx h VAL 290 Cb 0.42 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1qfx h VAL 290 CO 0.01 0.28 0.00 1.23 0.02 0.00 0.00 177.57 179.12 1qfx h GLY 291 N 0.82 0.00 2.00 2.17 0.00 -0.88 -3.19 103.07 103.99 1qfx h GLY 291 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 1qfx h GLY 291 CO -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.44 1qfx h ALA 292 N 2.07 1.44 0.51 3.60 0.00 -0.47 -2.10 119.26 124.31 1qfx h ALA 292 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1qfx h ALA 292 Cb 0.65 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1qfx h ALA 292 CO 0.00 0.11 -0.38 0.28 0.00 0.00 0.00 179.25 179.26 1qfx h VAL 293 N 0.00 0.23 -0.29 0.00 2.07 -1.65 0.86 116.25 117.47 1qfx h VAL 293 Ca -0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1qfx h VAL 293 Cb 0.22 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1qfx h VAL 293 CO 0.01 0.00 -0.09 0.22 0.02 0.00 0.00 177.57 177.73 1qfx h TYR 294 N -0.87 0.65 -0.51 1.57 5.03 -1.75 -1.42 116.97 119.67 1qfx h TYR 294 Ca -0.06 -0.15 0.04 0.00 2.58 0.00 0.00 58.73 61.15 1qfx h TYR 294 Cb 0.73 -0.16 -0.04 0.00 1.55 0.00 0.00 36.73 38.82 1qfx h TYR 294 CO -0.15 0.78 0.26 0.00 -1.32 0.00 0.00 178.16 177.74 1qfx h ALA 295 N 0.77 0.65 -0.17 1.82 0.00 -1.30 -0.92 119.26 120.12 1qfx h ALA 295 Ca 0.07 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1qfx h ALA 295 Cb 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1qfx h ALA 295 CO 0.03 -0.08 -0.44 -0.97 0.00 0.00 0.00 179.25 177.79 1qfx h ASN 296 N 0.52 0.68 -0.73 0.00 -1.24 -0.79 -2.20 115.58 111.83 1qfx h ASN 296 Ca 0.22 -0.58 -0.05 0.00 0.71 0.00 0.00 56.30 56.60 1qfx h ASN 296 Cb 0.12 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 38.94 1qfx h ASN 296 CO -0.15 1.14 0.26 0.00 -1.29 0.00 0.00 177.43 177.39 1qfx h ALA 297 N 0.56 0.95 -0.16 1.57 0.00 -1.18 -1.63 119.26 119.35 1qfx h ALA 297 Ca -0.01 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 1qfx h ALA 297 Cb 1.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1qfx h ALA 297 CO 0.10 0.59 -0.42 0.66 0.00 0.00 0.00 179.25 180.18 1qfx h SER 298 N 1.05 0.40 -0.93 0.00 4.64 -1.21 -2.51 113.55 115.00 1qfx h SER 298 Ca 0.24 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1qfx h SER 298 Cb 0.25 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.19 1qfx h SER 298 CO -0.01 0.78 0.54 0.25 -0.87 0.00 0.00 176.83 177.51 1qfx h LEU 299 N 0.31 1.13 -0.53 5.97 5.85 -0.94 -1.11 115.31 125.99 1qfx h LEU 299 Ca 0.03 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1qfx h LEU 299 Cb 0.87 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1qfx h LEU 299 CO 0.07 0.89 0.35 0.74 -0.34 0.00 0.00 178.44 180.15 1qfx h THR 300 N 1.29 1.12 -0.70 1.05 2.02 -0.90 -0.89 112.91 115.91 1qfx h THR 300 Ca 0.33 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 67.23 1qfx h THR 300 Cb -0.02 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 1qfx h THR 300 CO -0.06 0.13 0.28 -0.07 0.37 0.00 0.00 175.52 176.17 1qfx h LEU 301 N 0.71 0.94 -0.42 2.58 3.38 -1.03 -0.36 115.31 121.12 1qfx h LEU 301 Ca 0.20 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1qfx h LEU 301 Cb -0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1qfx h LEU 301 CO -0.05 0.84 0.01 -0.07 0.09 0.00 0.00 178.44 179.25 1qfx h LEU 302 N 1.01 0.71 -0.72 1.67 3.38 -0.64 -0.90 115.31 119.81 1qfx h LEU 302 Ca 0.24 -0.30 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1qfx h LEU 302 Cb 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1qfx h LEU 302 CO -0.02 0.84 -0.53 0.78 0.09 0.00 0.00 178.44 179.60 1qfx h ASN 303 N 0.57 0.31 -0.34 -0.43 2.35 -0.99 -3.11 115.58 113.94 1qfx h ASN 303 Ca 0.12 -0.16 -0.15 0.00 -0.55 0.00 0.00 56.30 55.56 1qfx h ASN 303 Cb 0.47 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 1qfx h ASN 303 CO 0.02 0.79 -0.37 -0.61 -1.65 0.00 0.00 177.43 175.61 1qfx h GLN 304 N 0.22 0.86 0.00 0.81 4.15 -0.94 -3.50 115.11 116.71 1qfx h GLN 304 Ca 0.00 -0.46 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1qfx h GLN 304 Cb 1.01 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.72 1qfx h GLN 304 CO 0.08 1.11 0.00 0.41 -1.93 0.00 0.00 178.83 178.50 1qfx n GLY 305 N 0.17 1.49 0.34 2.39 0.00 -0.36 -4.50 105.19 104.73 1qfx n GLY 305 Ca -0.03 -1.76 -0.04 0.00 0.00 0.00 0.00 46.02 44.19 1qfx n GLY 305 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qfx h PRO 306 N 0.00 1.09 -0.64 1.61 0.13 -1.82 -0.10 132.00 132.27 1qfx h PRO 306 Ca 0.00 -0.18 0.01 0.00 -0.87 0.00 0.00 66.00 64.96 1qfx h PRO 306 Cb 0.00 -0.19 -0.03 0.00 0.13 0.00 0.00 31.00 30.91 1qfx h PRO 306 CO 0.00 0.87 0.42 -0.22 -0.23 0.00 0.00 178.00 178.84 1qfx h LYS 307 N 1.07 0.85 0.00 0.86 3.64 -1.87 0.55 116.57 121.66 1qfx h LYS 307 Ca 0.25 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1qfx h LYS 307 Cb 0.17 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1qfx h LYS 307 CO -0.03 0.57 -0.27 1.49 -2.27 0.00 0.00 179.45 178.94 1qfx h GLU 308 N 0.87 0.00 0.00 1.90 4.81 -1.76 -3.41 114.58 116.99 1qfx h GLU 308 Ca 0.23 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.36 1qfx h GLU 308 Cb -0.09 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1qfx h GLU 308 CO -0.05 0.41 -0.48 0.00 -0.73 0.00 0.00 179.01 178.17 1qfx h ALA 309 N -0.65 0.72 0.00 2.92 0.00 -1.08 -3.51 119.26 117.65 1qfx h ALA 309 Ca -0.05 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1qfx h ALA 309 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1qfx h ALA 309 CO -0.03 0.60 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1qfx n GLY 310 N 1.08 3.15 0.00 0.00 0.00 0.18 -4.97 105.19 104.64 1qfx n GLY 310 Ca 0.02 -1.87 0.09 0.00 0.00 0.00 0.00 46.02 44.25 1qfx n GLY 310 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qfx n SER 311 N 0.00 0.77 -3.90 1.61 3.41 -1.25 -4.21 113.62 110.05 1qfx n SER 311 Ca 0.00 -0.56 -0.27 0.00 -0.26 0.00 0.00 58.87 57.77 1qfx n SER 311 Cb 0.00 1.35 -0.17 0.00 -0.26 0.00 0.00 64.21 65.13 1qfx n SER 311 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1qfx s LEU 312 N -3.46 1.29 -0.39 1.04 1.43 -1.26 -0.58 118.68 116.75 1qfx s LEU 312 Ca 0.01 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1qfx s LEU 312 Cb 0.13 -0.85 0.11 0.00 0.03 0.00 0.00 46.19 45.62 1qfx s LEU 312 CO 0.78 -0.14 0.15 -0.36 0.23 0.00 0.00 176.35 177.01 1qfx s PHE 313 N 1.69 2.57 -0.36 0.29 0.40 0.03 -4.88 117.98 117.72 1qfx s PHE 313 Ca 0.04 -2.49 -0.16 0.00 -0.60 0.00 0.00 56.93 53.72 1qfx s PHE 313 Cb -0.13 -2.26 -0.00 0.00 0.51 0.00 0.00 43.02 41.13 1qfx s PHE 313 CO -0.08 -0.85 0.37 -0.06 0.70 0.00 0.00 175.22 175.30 1qfx s PHE 314 N 0.78 3.20 0.06 0.36 0.08 -1.26 -0.98 117.98 120.22 1qfx s PHE 314 Ca 0.13 -0.14 0.07 0.00 0.12 0.00 0.00 56.93 57.11 1qfx s PHE 314 Cb -0.21 -2.71 -0.03 0.00 -0.57 0.00 0.00 43.02 39.49 1qfx s PHE 314 CO -0.10 -0.50 -0.15 -0.80 -0.10 0.00 0.00 175.22 173.57 1qfx s ASN 315 N 1.75 4.02 -0.04 1.36 0.01 0.25 -1.31 114.94 120.97 1qfx s ASN 315 Ca 0.11 -0.40 0.01 0.00 -0.71 0.00 0.00 52.86 51.87 1qfx s ASN 315 Cb -0.17 -0.70 0.02 0.00 0.41 0.00 0.00 41.25 40.81 1qfx s ASN 315 CO 0.12 0.24 -0.06 -0.36 -1.51 0.00 0.00 177.10 175.53 1qfx s PHE 316 N -1.01 0.81 0.00 2.20 0.40 -0.01 -0.65 117.98 119.72 1qfx s PHE 316 Ca 0.16 -0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 1qfx s PHE 316 Cb -0.11 -0.68 0.00 0.00 0.51 0.00 0.00 43.02 42.75 1qfx s PHE 316 CO 0.08 -0.18 0.00 0.00 0.70 0.00 0.00 175.22 175.82 1qfx n ALA 317 N 3.89 0.00 -2.50 5.36 0.00 -0.52 -1.68 120.51 125.06 1qfx n ALA 317 Ca -0.24 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 52.97 1qfx n ALA 317 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.91 1qfx n ALA 317 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1qfx s HIS 318 N -0.20 2.73 0.23 0.00 3.76 -1.26 -2.01 115.29 118.53 1qfx s HIS 318 Ca 0.00 -0.39 -0.06 0.00 -0.15 0.00 0.00 55.06 54.46 1qfx s HIS 318 Cb 0.00 -1.70 0.36 0.00 1.11 0.00 0.00 32.58 32.35 1qfx s HIS 318 CO 0.00 0.29 1.79 0.38 -0.85 0.00 0.00 174.74 176.35 1qfx h ASP 319 N 1.48 0.54 0.00 1.40 2.03 -1.95 0.08 116.42 120.01 1qfx h ASP 319 Ca -0.44 0.06 0.00 0.00 -0.73 0.00 0.00 57.03 55.92 1qfx h ASP 319 Cb 1.25 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 1qfx h ASP 319 CO 0.63 0.31 0.00 0.35 -1.03 0.00 0.00 179.24 179.50 1qfx n THR 320 N -4.82 0.00 -0.03 1.15 -2.24 -1.26 -2.03 114.28 105.05 1qfx n THR 320 Ca 0.12 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.93 1qfx n THR 320 Cb 0.27 -0.54 -0.12 0.00 -2.10 0.00 0.00 70.33 67.84 1qfx n THR 320 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1qfx n ASN 321 N -0.87 1.31 0.07 3.42 5.03 -0.01 -4.42 115.26 119.79 1qfx n ASN 321 Ca 0.11 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.33 1qfx n ASN 321 Cb 0.05 1.43 -0.15 0.00 -1.02 0.00 0.00 39.78 40.09 1qfx n ASN 321 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1qfx h ILE 322 N 0.00 0.99 -0.64 2.41 2.04 -1.14 -3.35 117.51 117.83 1qfx h ILE 322 Ca -0.14 -2.52 0.02 0.00 1.00 0.00 0.00 64.86 63.22 1qfx h ILE 322 Cb 1.16 2.80 -0.03 0.00 -0.74 0.00 0.00 36.82 40.00 1qfx h ILE 322 CO 0.01 0.84 0.43 0.71 0.00 0.00 0.00 178.15 180.13 1qfx h THR 323 N 0.06 1.13 0.00 -0.27 1.35 -1.69 -1.45 112.91 112.04 1qfx h THR 323 Ca -0.33 -0.28 -0.08 0.00 -0.55 0.00 0.00 66.41 65.17 1qfx h THR 323 Cb 2.07 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.71 1qfx h THR 323 CO 0.18 0.15 -0.36 -0.65 -0.25 0.00 0.00 175.52 174.59 1qfx h PRO 324 N 0.82 0.00 -0.29 4.72 0.11 -1.71 -1.56 132.00 134.09 1qfx h PRO 324 Ca 0.25 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.28 1qfx h PRO 324 Cb -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 1qfx h PRO 324 CO -0.06 0.36 -0.11 0.82 -0.21 0.00 0.00 178.00 178.80 1qfx h ILE 325 N 0.00 1.29 -0.82 4.15 2.04 -1.41 0.11 117.51 122.87 1qfx h ILE 325 Ca -0.00 -1.18 -0.03 0.00 1.00 0.00 0.00 64.86 64.65 1qfx h ILE 325 Cb 0.77 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 1qfx h ILE 325 CO 0.05 0.38 0.41 -0.07 0.00 0.00 0.00 178.15 178.91 1qfx h LEU 326 N 0.34 1.07 -0.51 1.44 3.38 -1.25 -0.07 115.31 119.70 1qfx h LEU 326 Ca 0.07 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1qfx h LEU 326 Cb 0.62 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1qfx h LEU 326 CO 0.04 0.89 0.18 0.00 0.09 0.00 0.00 178.44 179.64 1qfx h ALA 327 N 1.22 0.67 -0.82 1.53 0.00 -1.04 -1.91 119.26 118.90 1qfx h ALA 327 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1qfx h ALA 327 Cb 0.10 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1qfx h ALA 327 CO -0.04 0.30 0.51 0.00 0.00 0.00 0.00 179.25 180.03 1qfx h ALA 328 N 1.04 1.05 0.00 0.00 0.00 -0.23 -1.86 119.26 119.26 1qfx h ALA 328 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1qfx h ALA 328 Cb 0.23 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1qfx h ALA 328 CO -0.01 0.49 0.00 1.28 0.00 0.00 0.00 179.25 181.01 1qfx n LEU 329 N -4.47 0.40 -1.00 0.00 4.77 -0.09 -4.68 117.00 111.92 1qfx n LEU 329 Ca 0.08 0.57 -0.09 0.00 -0.03 0.00 0.00 56.01 56.54 1qfx n LEU 329 Cb 0.04 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.63 1qfx n LEU 329 CO 0.37 -0.29 -0.11 0.61 -1.33 0.00 0.00 177.39 176.64 1qfx n GLY 330 N 0.57 0.24 3.74 -0.72 0.00 -0.70 -5.04 105.19 103.30 1qfx n GLY 330 Ca 0.04 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 1qfx n GLY 330 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qfx s VAL 331 N -2.45 4.33 -1.31 1.61 -7.23 -0.99 -4.62 120.40 109.74 1qfx s VAL 331 Ca 0.00 -0.89 -0.03 0.00 -1.81 0.00 0.00 61.98 59.25 1qfx s VAL 331 Cb 0.00 -3.10 0.01 0.00 0.56 0.00 0.00 36.38 33.86 1qfx s VAL 331 CO 0.00 0.09 0.87 0.18 -0.31 0.00 0.00 175.10 175.93 1qfx n LEU 332 N 0.39 -3.34 -4.45 1.32 4.77 -1.26 -4.52 117.00 109.90 1qfx n LEU 332 Ca -0.09 -0.73 -0.41 0.00 -0.03 0.00 0.00 56.01 54.75 1qfx n LEU 332 Cb 0.52 -2.82 -0.11 0.00 -2.33 0.00 0.00 43.42 38.68 1qfx n LEU 332 CO 0.42 0.43 -0.14 -0.63 -1.33 0.00 0.00 177.39 176.14 1qfx s ILE 333 N -3.50 4.94 0.58 -0.08 -1.09 -1.26 -4.63 121.20 116.16 1qfx s ILE 333 Ca 0.14 -0.52 -0.20 0.00 -2.23 0.00 0.00 60.65 57.84 1qfx s ILE 333 Cb -0.07 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 37.14 1qfx s ILE 333 CO 0.78 -0.11 1.14 -2.65 -1.23 0.00 0.00 174.94 172.87 1qfx n PRO 334 N 5.06 1.21 0.30 2.79 -0.02 -1.26 -4.85 135.00 138.22 1qfx n PRO 334 Ca -0.12 0.46 0.16 0.00 -2.02 0.00 0.00 63.50 61.97 1qfx n PRO 334 Cb 0.48 -2.34 0.92 0.00 -0.02 0.00 0.00 33.50 32.54 1qfx n PRO 334 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1qfx h ASN 335 N 0.87 0.00 -5.08 2.55 2.35 -2.01 -3.43 115.58 110.81 1qfx h ASN 335 Ca -0.49 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.18 1qfx h ASN 335 Cb 1.34 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.56 1qfx h ASN 335 CO 0.54 0.04 -0.22 -1.61 -1.65 0.00 0.00 177.43 174.52 1qfx s GLU 336 N -4.35 0.89 0.34 0.81 2.02 -1.26 -5.13 118.70 112.02 1qfx s GLU 336 Ca -0.04 -0.66 -0.28 0.00 0.02 0.00 0.00 54.97 54.01 1qfx s GLU 336 Cb 0.14 0.38 -0.12 0.00 0.10 0.00 0.00 34.13 34.63 1qfx s GLU 336 CO 0.53 -0.31 1.34 -0.25 0.02 0.00 0.00 175.26 176.59 1qfx n ASP 337 N 0.21 2.97 -4.73 -0.19 8.00 -1.26 -4.89 116.55 116.66 1qfx n ASP 337 Ca -0.17 1.21 -0.42 0.00 0.71 0.00 0.00 54.79 56.12 1qfx n ASP 337 Cb 0.61 -1.51 -0.03 0.00 -0.02 0.00 0.00 41.12 40.18 1qfx n ASP 337 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qfx s LEU 338 N -1.10 4.37 0.42 0.64 1.43 -1.26 -4.96 118.68 118.22 1qfx s LEU 338 Ca 0.56 2.71 -0.25 0.00 -1.03 0.00 0.00 54.13 56.12 1qfx s LEU 338 Cb -0.56 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 41.97 1qfx s LEU 338 CO 0.61 -0.81 1.27 -2.16 0.23 0.00 0.00 176.35 175.50 1qfx s PRO 339 N 0.34 3.89 0.28 1.29 0.04 -1.26 -4.95 135.00 134.62 1qfx s PRO 339 Ca 0.66 2.08 0.20 0.00 0.04 0.00 0.00 61.00 63.98 1qfx s PRO 339 Cb -0.44 -2.67 0.11 0.00 0.04 0.00 0.00 34.50 31.55 1qfx s PRO 339 CO 0.38 -0.53 1.29 -0.07 0.04 0.00 0.00 177.00 178.11 1qfx h LEU 340 N 2.50 0.00 -1.74 -3.56 3.38 -2.01 -3.38 115.31 110.50 1qfx h LEU 340 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1qfx h LEU 340 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1qfx h LEU 340 CO 0.62 0.17 -0.09 -0.90 0.09 0.00 0.00 178.44 178.33 1qfx n ASP 341 N -2.96 2.78 -3.63 -0.43 5.75 -1.26 -4.97 116.55 111.83 1qfx n ASP 341 Ca 0.00 -1.89 -0.10 0.00 -0.01 0.00 0.00 54.79 52.79 1qfx n ASP 341 Cb 0.62 0.09 -0.04 0.00 -1.03 0.00 0.00 41.12 40.76 1qfx n ASP 341 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qfx s ARG 342 N -2.05 1.21 -0.21 0.11 1.70 -1.26 -4.88 118.95 113.57 1qfx s ARG 342 Ca 0.26 -0.71 -0.29 0.00 -0.47 0.00 0.00 55.73 54.51 1qfx s ARG 342 Cb 0.19 0.51 0.01 0.00 -0.57 0.00 0.00 34.95 35.09 1qfx s ARG 342 CO 0.35 -0.50 1.06 0.08 -1.08 0.00 0.00 175.30 175.20 1qfx s VAL 343 N -3.82 4.65 -1.14 4.99 1.01 -1.26 -4.66 120.40 120.17 1qfx s VAL 343 Ca 0.05 1.98 -0.15 0.00 0.00 0.00 0.00 61.98 63.86 1qfx s VAL 343 Cb 0.00 -4.28 0.16 0.00 0.00 0.00 0.00 36.38 32.27 1qfx s VAL 343 CO -0.09 -0.16 1.36 0.00 0.00 0.00 0.00 175.10 176.21 1qfx s ALA 344 N 3.13 3.86 0.22 5.51 0.00 -1.26 -5.00 121.76 128.22 1qfx s ALA 344 Ca 0.45 -3.23 -0.32 0.00 0.00 0.00 0.00 51.96 48.87 1qfx s ALA 344 Cb -0.16 -4.11 -0.13 0.00 0.00 0.00 0.00 23.12 18.72 1qfx s ALA 344 CO 0.08 -2.82 1.52 1.19 0.00 0.00 0.00 175.76 175.73 1qfx n PHE 345 N 5.86 2.36 -0.32 0.00 3.72 -1.26 -2.78 117.46 125.04 1qfx n PHE 345 Ca 0.34 0.32 0.00 0.00 -0.05 0.00 0.00 57.45 58.06 1qfx n PHE 345 Cb 0.44 -2.53 0.00 0.00 -0.94 0.00 0.00 39.48 36.46 1qfx n PHE 345 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1qfx n GLY 346 N 2.71 1.22 3.76 1.37 0.00 -1.26 -5.05 105.19 107.95 1qfx n GLY 346 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1qfx n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qfx s ASN 347 N -3.07 5.24 0.36 1.61 2.20 -1.12 -4.91 114.94 115.25 1qfx s ASN 347 Ca 0.00 2.33 0.27 0.00 -0.94 0.00 0.00 52.86 54.52 1qfx s ASN 347 Cb 0.00 -2.59 1.22 0.00 -2.00 0.00 0.00 41.25 37.87 1qfx s ASN 347 CO 0.00 -1.55 1.81 1.55 -2.94 0.00 0.00 177.10 175.97 1qfx h PRO 348 N 0.86 0.00 -3.02 3.55 0.13 -1.92 -3.37 132.00 128.24 1qfx h PRO 348 Ca -0.50 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.94 1qfx h PRO 348 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1qfx h PRO 348 CO 0.55 0.00 3.59 0.98 -0.23 0.00 0.00 178.00 182.89 1qfx n TYR 349 N -2.48 2.53 -3.33 1.56 9.36 -1.26 -4.83 117.16 118.70 1qfx n TYR 349 Ca 0.01 -3.05 -0.46 0.00 3.32 0.00 0.00 57.90 57.71 1qfx n TYR 349 Cb 0.19 -2.40 -0.03 0.00 -0.63 0.00 0.00 39.34 36.47 1qfx n TYR 349 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1qfx s SER 350 N 1.97 6.49 0.57 2.98 0.15 -1.26 -4.84 113.70 119.75 1qfx s SER 350 Ca 0.66 -2.30 0.32 0.00 0.70 0.00 0.00 55.95 55.32 1qfx s SER 350 Cb 0.18 -2.20 1.45 0.00 -1.71 0.00 0.00 66.02 63.74 1qfx s SER 350 CO -0.07 -0.69 1.81 0.40 1.20 0.00 0.00 173.24 175.89 1qfx h ILE 351 N 5.27 0.38 0.00 6.45 1.08 -1.88 0.21 117.51 129.03 1qfx h ILE 351 Ca -0.07 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1qfx h ILE 351 Cb 1.06 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.29 1qfx h ILE 351 CO 0.87 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.94 1qfx n GLY 352 N -1.66 -1.22 0.76 5.37 0.00 -1.25 -1.03 105.19 106.17 1qfx n GLY 352 Ca 0.18 0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.38 1qfx n GLY 352 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qfx n ASN 353 N -2.28 2.98 0.02 1.61 3.02 0.74 -4.58 115.26 116.76 1qfx n ASN 353 Ca 0.01 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.64 1qfx n ASN 353 Cb 0.20 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 1qfx n ASN 353 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1qfx n ILE 354 N 0.77 0.27 -3.22 2.41 5.41 -0.45 -4.80 119.36 119.76 1qfx n ILE 354 Ca 0.13 0.09 -0.25 0.00 1.00 0.00 0.00 62.75 63.73 1qfx n ILE 354 Cb 0.45 -0.97 -0.06 0.00 -0.71 0.00 0.00 39.64 38.35 1qfx n ILE 354 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1qfx n VAL 355 N -2.77 1.20 -1.64 1.39 0.24 -0.20 -4.53 118.33 112.02 1qfx n VAL 355 Ca 0.00 -4.84 -0.30 0.00 -2.04 0.00 0.00 64.34 57.16 1qfx n VAL 355 Cb 0.00 -1.62 0.22 0.00 -1.47 0.00 0.00 33.84 30.97 1qfx n VAL 355 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1qfx s PRO 356 N -2.29 -0.19 0.26 7.34 0.04 -1.24 -4.38 135.00 134.53 1qfx s PRO 356 Ca 0.40 -0.37 -0.31 0.00 0.04 0.00 0.00 61.00 60.77 1qfx s PRO 356 Cb 0.21 -1.75 -0.13 0.00 0.04 0.00 0.00 34.50 32.88 1qfx s PRO 356 CO -0.08 -2.98 1.46 -1.33 0.04 0.00 0.00 177.00 174.11 1qfx n MET 357 N -4.17 2.23 -0.98 4.56 2.81 -0.93 -1.17 117.12 119.46 1qfx n MET 357 Ca 0.16 0.79 0.00 0.00 -1.81 0.00 0.00 57.70 56.84 1qfx n MET 357 Cb 0.59 -2.48 0.00 0.00 -0.71 0.00 0.00 33.22 30.62 1qfx n MET 357 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qfx n GLY 358 N 2.09 0.34 3.56 3.03 0.00 -0.47 -3.06 105.19 110.68 1qfx n GLY 358 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1qfx n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qfx n GLY 359 N -1.48 -1.15 3.56 -0.02 0.00 -0.32 -4.44 105.19 101.34 1qfx n GLY 359 Ca 0.00 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.06 1qfx n GLY 359 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1qfx s HIS 360 N -2.52 -0.57 -0.23 1.61 -3.43 -1.26 -0.45 115.29 108.43 1qfx s HIS 360 Ca 0.64 1.08 -0.03 0.00 -0.80 0.00 0.00 55.06 55.96 1qfx s HIS 360 Cb -0.22 0.40 0.01 0.00 -1.43 0.00 0.00 32.58 31.33 1qfx s HIS 360 CO 0.62 -0.46 -0.06 -1.17 -2.00 0.00 0.00 174.74 171.67 1qfx s LEU 361 N -0.83 2.98 -0.19 5.38 2.96 -0.56 -1.67 118.68 126.75 1qfx s LEU 361 Ca -0.05 -0.62 -0.02 0.00 -0.22 0.00 0.00 54.13 53.21 1qfx s LEU 361 Cb -0.01 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 1qfx s LEU 361 CO 0.05 -0.07 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.03 1qfx s THR 362 N 1.40 3.10 -0.30 3.68 2.01 0.11 -1.26 115.64 124.39 1qfx s THR 362 Ca 0.03 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.32 1qfx s THR 362 Cb -0.15 -2.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 1qfx s THR 362 CO -0.04 0.47 0.19 -0.63 -0.69 0.00 0.00 174.62 173.91 1qfx s ILE 363 N 1.15 5.12 -0.17 1.82 1.01 0.10 -0.70 121.20 129.52 1qfx s ILE 363 Ca 0.01 -0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.53 1qfx s ILE 363 Cb -0.14 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1qfx s ILE 363 CO -0.02 0.15 0.04 -1.61 0.00 0.00 0.00 174.94 173.50 1qfx s GLU 364 N 1.71 3.88 -0.23 2.79 2.02 0.00 -1.18 118.70 127.69 1qfx s GLU 364 Ca 0.06 -0.37 -0.14 0.00 0.02 0.00 0.00 54.97 54.55 1qfx s GLU 364 Cb -0.17 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 1qfx s GLU 364 CO 0.10 0.30 0.30 0.50 0.02 0.00 0.00 175.26 176.48 1qfx s ARG 365 N 0.28 4.10 -0.15 1.61 3.52 0.14 -1.35 118.95 127.09 1qfx s ARG 365 Ca 0.02 -0.01 -0.06 0.00 -0.13 0.00 0.00 55.73 55.55 1qfx s ARG 365 Cb -0.13 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.66 1qfx s ARG 365 CO 0.01 -0.06 0.04 -0.51 -0.81 0.00 0.00 175.30 173.98 1qfx s LEU 366 N 1.38 3.75 -0.37 -0.88 1.43 0.94 -0.67 118.68 124.27 1qfx s LEU 366 Ca 0.14 0.11 -0.10 0.00 -1.03 0.00 0.00 54.13 53.25 1qfx s LEU 366 Cb -0.15 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.19 1qfx s LEU 366 CO 0.07 0.24 0.18 -0.55 0.23 0.00 0.00 176.35 176.52 1qfx s SER 367 N -0.02 5.61 0.02 2.29 0.15 0.84 -0.73 113.70 121.86 1qfx s SER 367 Ca 0.05 -1.08 0.07 0.00 0.70 0.00 0.00 55.95 55.70 1qfx s SER 367 Cb -0.12 -1.98 -0.03 0.00 -1.71 0.00 0.00 66.02 62.18 1qfx s SER 367 CO 0.01 -0.38 -0.21 0.00 1.20 0.00 0.00 173.24 173.86 1qfx s GLN 369 N -1.17 1.02 0.43 0.00 -0.21 0.11 -0.09 119.66 119.75 1qfx s GLN 369 Ca 0.13 -0.37 -0.24 0.00 0.02 0.00 0.00 55.36 54.90 1qfx s GLN 369 Cb -0.10 -1.92 -0.08 0.00 1.00 0.00 0.00 33.01 31.91 1qfx s GLN 369 CO 0.03 -2.14 1.13 0.00 -2.12 0.00 0.00 175.29 172.19 1qfx s ALA 370 N -3.75 3.04 0.32 6.09 0.00 -1.26 -4.31 121.76 121.89 1qfx s ALA 370 Ca 0.71 0.87 0.04 0.00 0.00 0.00 0.00 51.96 53.57 1qfx s ALA 370 Cb -0.05 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.65 1qfx s ALA 370 CO 0.51 -0.51 0.06 0.95 0.00 0.00 0.00 175.76 176.78 1qfx s THR 371 N -1.56 1.14 -0.18 0.00 -4.23 0.25 -4.91 115.64 106.14 1qfx s THR 371 Ca 0.61 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 59.29 1qfx s THR 371 Cb -0.27 -2.78 0.18 0.00 1.34 0.00 0.00 72.50 70.97 1qfx s THR 371 CO 0.33 -0.00 1.51 0.00 -0.54 0.00 0.00 174.62 175.92 1qfx n ALA 372 N -0.67 0.91 -0.06 3.99 0.00 -1.26 -1.67 120.51 121.75 1qfx n ALA 372 Ca -0.02 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1qfx n ALA 372 Cb 0.67 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1qfx n ALA 372 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1qfx n LEU 373 N -2.15 1.07 -3.58 0.00 -0.00 -1.26 -5.08 117.00 106.01 1qfx n LEU 373 Ca -0.01 -1.07 -0.13 0.00 -0.00 0.00 0.00 56.01 54.80 1qfx n LEU 373 Cb 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.49 1qfx n LEU 373 CO 0.08 0.27 0.25 -0.94 -0.00 0.00 0.00 177.39 177.05 1qfx s SER 374 N -0.13 -0.38 0.56 1.45 1.04 -0.67 -4.87 113.70 110.69 1qfx s SER 374 Ca 0.00 0.00 -0.12 0.00 0.48 0.00 0.00 55.95 56.32 1qfx s SER 374 Cb 0.00 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.56 1qfx s SER 374 CO 0.00 -0.78 0.96 -1.81 0.98 0.00 0.00 173.24 172.59 1qfx s ASP 375 N -2.30 6.36 0.31 7.02 1.01 -1.26 -0.59 116.67 127.22 1qfx s ASP 375 Ca -0.02 1.37 -0.30 0.00 0.71 0.00 0.00 52.55 54.31 1qfx s ASP 375 Cb -0.00 -2.44 -0.11 0.00 1.01 0.00 0.00 42.92 41.38 1qfx s ASP 375 CO -0.06 -0.72 1.59 1.21 0.21 0.00 0.00 175.17 177.40 1qfx n GLU 376 N -2.26 2.73 -3.79 8.23 2.13 -1.26 -4.55 120.64 121.87 1qfx n GLU 376 Ca 0.05 0.97 0.00 0.00 0.66 0.00 0.00 57.16 58.84 1qfx n GLU 376 Cb 0.54 -2.75 0.00 0.00 0.27 0.00 0.00 31.44 29.50 1qfx n GLU 376 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qfx n GLY 377 N 1.91 -1.33 3.69 8.31 0.00 0.87 -4.90 105.19 113.74 1qfx n GLY 377 Ca 0.07 -1.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 1qfx n GLY 377 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qfx s THR 378 N -3.00 5.02 0.16 2.61 2.01 -1.26 -0.61 115.64 120.56 1qfx s THR 378 Ca 0.00 0.04 0.07 0.00 0.31 0.00 0.00 61.69 62.11 1qfx s THR 378 Cb 0.00 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.21 1qfx s THR 378 CO 0.00 0.48 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.96 1qfx s TYR 379 N 0.15 1.54 -0.16 4.92 2.02 0.09 -0.84 117.35 125.07 1qfx s TYR 379 Ca 0.06 -0.58 -0.00 0.00 -0.37 0.00 0.00 57.07 56.18 1qfx s TYR 379 Cb -0.12 -0.76 -0.00 0.00 -0.40 0.00 0.00 41.96 40.67 1qfx s TYR 379 CO -0.00 0.23 -0.14 0.08 -1.57 0.00 0.00 175.55 174.15 1qfx s VAL 380 N -2.55 2.78 -0.06 0.71 1.01 0.70 -0.04 120.40 122.94 1qfx s VAL 380 Ca 0.15 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.45 1qfx s VAL 380 Cb -0.03 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1qfx s VAL 380 CO 0.04 0.51 -0.23 -0.60 0.00 0.00 0.00 175.10 174.82 1qfx s ARG 381 N 0.79 2.42 -0.12 2.72 3.52 -0.46 -1.69 118.95 126.12 1qfx s ARG 381 Ca -0.05 -0.84 -0.02 0.00 -0.13 0.00 0.00 55.73 54.68 1qfx s ARG 381 Cb -0.15 -2.04 -0.03 0.00 -1.56 0.00 0.00 34.95 31.17 1qfx s ARG 381 CO 0.01 0.34 -0.05 -0.51 -0.81 0.00 0.00 175.30 174.28 1qfx s LEU 382 N -0.10 3.19 -0.13 -0.88 1.43 -1.26 -0.82 118.68 120.12 1qfx s LEU 382 Ca -0.04 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1qfx s LEU 382 Cb -0.14 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1qfx s LEU 382 CO 0.04 0.24 -0.11 -0.69 0.23 0.00 0.00 176.35 176.05 1qfx s VAL 383 N -0.05 1.33 -0.24 -1.59 1.01 0.12 0.02 120.40 120.99 1qfx s VAL 383 Ca 0.01 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 1qfx s VAL 383 Cb -0.13 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 34.98 1qfx s VAL 383 CO 0.03 0.42 -0.05 -0.22 0.00 0.00 0.00 175.10 175.28 1qfx s LEU 384 N 1.55 3.14 -1.38 3.92 2.96 -0.09 -0.71 118.68 128.08 1qfx s LEU 384 Ca 0.04 -0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 53.20 1qfx s LEU 384 Cb -0.13 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.86 1qfx s LEU 384 CO -0.09 -0.10 0.45 0.59 -1.32 0.00 0.00 176.35 175.87 1qfx n ASN 385 N 4.72 -0.79 0.00 3.68 3.02 -0.67 -1.10 115.26 124.12 1qfx n ASN 385 Ca -0.17 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 1qfx n ASN 385 Cb 0.48 -3.03 0.00 0.00 -0.61 0.00 0.00 39.78 36.62 1qfx n ASN 385 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1qfx n GLU 386 N -4.40 -0.55 -4.87 3.52 -0.58 -1.26 -0.87 120.64 111.63 1qfx n GLU 386 Ca -0.29 0.14 -0.33 0.00 -0.42 0.00 0.00 57.16 56.26 1qfx n GLU 386 Cb 0.68 -3.61 -0.16 0.00 -0.57 0.00 0.00 31.44 27.78 1qfx n GLU 386 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1qfx s ALA 387 N -1.95 2.37 0.15 0.62 0.00 -0.25 -4.91 121.76 117.78 1qfx s ALA 387 Ca 0.00 -0.98 -0.31 0.00 0.00 0.00 0.00 51.96 50.66 1qfx s ALA 387 Cb 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 23.12 21.98 1qfx s ALA 387 CO 0.00 0.16 1.64 0.08 0.00 0.00 0.00 175.76 177.64 1qfx s VAL 388 N 0.52 2.59 -0.38 0.00 1.01 -1.26 -0.91 120.40 121.97 1qfx s VAL 388 Ca -0.12 0.34 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 1qfx s VAL 388 Cb -0.17 -3.22 0.09 0.00 0.00 0.00 0.00 36.38 33.09 1qfx s VAL 388 CO 0.05 0.02 0.15 -0.22 0.00 0.00 0.00 175.10 175.09 1qfx s LEU 389 N 1.62 4.84 0.32 3.92 2.96 0.10 -4.70 118.68 127.74 1qfx s LEU 389 Ca 0.73 -1.72 -0.29 0.00 -0.22 0.00 0.00 54.13 52.62 1qfx s LEU 389 Cb -0.44 -1.82 -0.11 0.00 0.50 0.00 0.00 46.19 44.31 1qfx s LEU 389 CO 0.32 -0.46 1.57 -2.65 -1.32 0.00 0.00 176.35 173.81 1qfx n PRO 390 N 4.65 2.72 -1.95 0.98 -0.02 -1.26 -4.09 135.00 136.02 1qfx n PRO 390 Ca -0.06 0.96 -0.42 0.00 -2.02 0.00 0.00 63.50 61.95 1qfx n PRO 390 Cb 0.42 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 1qfx n PRO 390 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1qfx n PHE 391 N 1.62 3.71 0.00 6.00 7.35 -1.26 -4.92 117.46 129.96 1qfx n PHE 391 Ca 0.06 -2.95 0.00 0.00 -0.76 0.00 0.00 57.45 53.80 1qfx n PHE 391 Cb 0.38 -2.52 0.00 0.00 0.35 0.00 0.00 39.48 37.69 1qfx n PHE 391 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1qfx n ASN 392 N 6.31 0.00 -0.18 -2.13 3.02 -1.26 -1.03 115.26 119.99 1qfx n ASN 392 Ca 0.50 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 55.20 1qfx n ASN 392 Cb 0.40 0.00 0.71 0.00 -0.61 0.00 0.00 39.78 40.28 1qfx n ASN 392 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1qfx n ASP 393 N 5.53 0.59 -4.39 6.41 5.68 -1.26 -4.53 116.55 124.57 1qfx n ASP 393 Ca 0.00 -0.99 -0.45 0.00 -0.50 0.00 0.00 54.79 52.85 1qfx n ASP 393 Cb 0.00 -0.03 -0.01 0.00 -1.14 0.00 0.00 41.12 39.94 1qfx n ASP 393 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qfx n THR 395 N 4.29 1.04 0.31 0.00 -2.24 -1.25 -4.05 114.28 112.37 1qfx n THR 395 Ca 0.23 -2.23 0.12 0.00 -2.27 0.00 0.00 64.05 59.91 1qfx n THR 395 Cb 0.45 0.53 0.21 0.00 -2.10 0.00 0.00 70.33 69.42 1qfx n THR 395 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1qfx h SER 396 N 1.39 0.00 -3.49 3.42 4.64 -1.78 -3.39 113.55 114.33 1qfx h SER 396 Ca -0.10 -0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.77 1qfx h SER 396 Cb 1.52 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 63.76 1qfx h SER 396 CO 0.15 0.00 0.35 -0.83 -0.87 0.00 0.00 176.83 175.63 1qfx s GLY 397 N -4.08 1.79 0.60 -0.77 0.00 -0.50 -4.72 107.32 99.64 1qfx s GLY 397 Ca 0.07 -1.39 -0.20 0.00 0.00 0.00 0.00 44.72 43.21 1qfx s GLY 397 CO 0.66 -0.64 1.25 -1.05 0.00 0.00 0.00 173.10 173.32 1qfx n PRO 398 N -3.58 1.30 -3.07 2.90 -0.02 -1.26 -2.62 135.00 128.64 1qfx n PRO 398 Ca 0.16 0.49 -0.21 0.00 -2.02 0.00 0.00 63.50 61.92 1qfx n PRO 398 Cb 0.60 -2.47 0.01 0.00 -0.02 0.00 0.00 33.50 31.62 1qfx n PRO 398 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qfx n GLY 399 N 0.93 -0.50 2.65 -1.23 0.00 -1.26 -1.77 105.19 104.01 1qfx n GLY 399 Ca 0.13 0.09 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 1qfx n GLY 399 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qfx n TYR 400 N -4.11 -1.40 -2.10 1.61 4.01 -1.08 -4.99 117.16 109.11 1qfx n TYR 400 Ca -0.08 0.21 -0.28 0.00 -0.16 0.00 0.00 57.90 57.58 1qfx n TYR 400 Cb 0.59 -4.14 0.16 0.00 -0.31 0.00 0.00 39.34 35.64 1qfx n TYR 400 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1qfx s SER 401 N -2.31 3.49 -0.12 7.72 1.04 -0.73 -4.48 113.70 118.31 1qfx s SER 401 Ca 0.12 0.13 0.02 0.00 0.48 0.00 0.00 55.95 56.70 1qfx s SER 401 Cb -0.05 -0.27 -0.00 0.00 0.10 0.00 0.00 66.02 65.79 1qfx s SER 401 CO 0.15 -2.47 -0.19 0.00 0.98 0.00 0.00 173.24 171.70 1qfx n PRO 403 N 3.69 2.30 -0.33 0.00 -0.02 -1.26 -0.21 135.00 139.17 1qfx n PRO 403 Ca -0.19 0.82 0.14 0.00 -2.02 0.00 0.00 63.50 62.25 1qfx n PRO 403 Cb 0.52 -2.52 0.33 0.00 -0.02 0.00 0.00 33.50 31.82 1qfx n PRO 403 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1qfx h LEU 404 N 4.30 0.54 -0.72 2.45 5.85 -1.30 -0.18 115.31 126.25 1qfx h LEU 404 Ca -0.46 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1qfx h LEU 404 Cb 1.26 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.31 1qfx h LEU 404 CO 0.76 0.10 0.46 0.00 -0.34 0.00 0.00 178.44 179.41 1qfx h ALA 405 N 1.69 0.92 -0.26 1.25 0.00 -1.89 0.10 119.26 121.07 1qfx h ALA 405 Ca 0.58 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.33 1qfx h ALA 405 Cb 1.06 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1qfx h ALA 405 CO -0.47 0.36 -0.23 -0.91 0.00 0.00 0.00 179.25 178.00 1qfx h ASN 406 N 0.98 0.66 -0.61 0.00 4.21 -1.56 -1.71 115.58 117.54 1qfx h ASN 406 Ca 0.26 -0.46 0.09 0.00 1.21 0.00 0.00 56.30 57.40 1qfx h ASN 406 Cb -0.07 -0.18 -0.07 0.00 -1.12 0.00 0.00 38.32 36.87 1qfx h ASN 406 CO -0.05 0.98 0.26 0.22 -1.29 0.00 0.00 177.43 177.54 1qfx h TYR 407 N 0.34 0.45 -0.14 1.19 3.20 -0.66 0.62 116.97 121.97 1qfx h TYR 407 Ca 0.05 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1qfx h TYR 407 Cb 0.78 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 1qfx h TYR 407 CO 0.07 0.14 0.08 1.15 -1.64 0.00 0.00 178.16 177.96 1qfx h THR 408 N 0.46 1.08 -0.69 1.81 2.02 -0.64 -1.47 112.91 115.47 1qfx h THR 408 Ca 0.30 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1qfx h THR 408 Cb 0.34 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1qfx h THR 408 CO -0.28 0.08 0.39 0.28 0.37 0.00 0.00 175.52 176.35 1qfx h SER 409 N 0.14 0.86 0.15 4.18 0.02 -0.56 -0.31 113.55 118.02 1qfx h SER 409 Ca 0.05 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1qfx h SER 409 Cb 0.05 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.38 1qfx h SER 409 CO -0.01 0.70 -0.07 0.40 -1.14 0.00 0.00 176.83 176.71 1qfx h ILE 410 N 0.95 0.87 -0.29 3.27 2.04 -0.69 0.13 117.51 123.79 1qfx h ILE 410 Ca 0.24 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 66.02 1qfx h ILE 410 Cb 0.03 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1qfx h ILE 410 CO -0.04 0.02 0.12 -0.07 0.00 0.00 0.00 178.15 178.18 1qfx h LEU 411 N -0.23 0.39 -0.82 1.44 4.07 -1.14 0.61 115.31 119.63 1qfx h LEU 411 Ca -0.02 -0.16 0.09 0.00 0.08 0.00 0.00 57.88 57.87 1qfx h LEU 411 Cb 0.18 -0.10 -0.07 0.00 1.08 0.00 0.00 40.66 41.75 1qfx h LEU 411 CO 0.03 0.44 0.48 0.78 -1.08 0.00 0.00 178.44 179.09 1qfx h ASN 412 N 0.32 0.70 0.38 -0.43 2.35 -0.92 0.11 115.58 118.09 1qfx h ASN 412 Ca 0.10 0.04 -0.19 0.00 -0.55 0.00 0.00 56.30 55.69 1qfx h ASN 412 Cb 0.17 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1qfx h ASN 412 CO -0.01 0.41 -0.81 0.50 -1.65 0.00 0.00 177.43 175.87 1qfx h LYS 413 N 0.82 0.33 0.00 0.81 3.64 -0.52 -3.39 116.57 118.25 1qfx h LYS 413 Ca 0.39 -0.31 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1qfx h LYS 413 Cb 0.32 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1qfx h LYS 413 CO -0.23 0.98 -1.74 0.09 -2.27 0.00 0.00 179.45 176.28 1qfx n ASN 414 N -3.77 1.35 -4.71 4.20 3.02 0.19 -4.99 115.26 110.56 1qfx n ASN 414 Ca -0.05 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.08 1qfx n ASN 414 Cb 0.76 1.69 -0.03 0.00 -0.61 0.00 0.00 39.78 41.59 1qfx n ASN 414 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qfx s LEU 415 N -4.16 4.36 0.89 3.41 1.43 0.32 -5.00 118.68 119.93 1qfx s LEU 415 Ca -0.06 2.33 -0.12 0.00 -1.03 0.00 0.00 54.13 55.25 1qfx s LEU 415 Cb 0.10 -3.58 0.13 0.00 0.03 0.00 0.00 46.19 42.86 1qfx s LEU 415 CO 0.66 -0.70 1.10 -2.84 0.23 0.00 0.00 176.35 174.81 1qfx s PRO 416 N 1.46 1.30 -0.17 1.29 0.02 -1.26 -4.99 135.00 132.64 1qfx s PRO 416 Ca 0.66 0.58 -0.20 0.00 0.02 0.00 0.00 61.00 62.06 1qfx s PRO 416 Cb -0.37 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.29 1qfx s PRO 416 CO 0.30 -2.15 0.57 0.34 -0.33 0.00 0.00 177.00 175.73 1qfx s ASP 417 N -3.71 6.67 0.00 2.53 2.15 -1.26 -4.77 116.67 118.27 1qfx s ASP 417 Ca 0.63 0.80 -0.22 0.00 0.43 0.00 0.00 52.55 54.19 1qfx s ASP 417 Cb -0.16 -2.32 -0.12 0.00 -0.30 0.00 0.00 42.92 40.01 1qfx s ASP 417 CO 0.55 -0.18 0.97 0.22 -0.17 0.00 0.00 175.17 176.56 1qfx h TYR 418 N 7.29 -0.74 -0.92 -5.34 3.20 -1.95 -2.42 116.97 116.09 1qfx h TYR 418 Ca -0.35 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.58 1qfx h TYR 418 Cb 1.16 0.24 -0.07 0.00 1.54 0.00 0.00 36.73 39.60 1qfx h TYR 418 CO 0.69 -0.46 0.57 1.79 -1.64 0.00 0.00 178.16 179.11 1qfx h THR 419 N -1.13 1.01 0.80 1.81 1.35 -1.93 0.19 112.91 115.02 1qfx h THR 419 Ca -0.08 -0.34 -0.04 0.00 -0.55 0.00 0.00 66.41 65.39 1qfx h THR 419 Cb 0.61 -0.08 0.01 0.00 -1.73 0.00 0.00 68.15 66.96 1qfx h THR 419 CO 0.13 0.18 -0.38 0.74 -0.25 0.00 0.00 175.52 175.94 1qfx h THR 420 N 1.01 0.00 -0.55 6.82 2.02 -1.92 -0.03 112.91 120.26 1qfx h THR 420 Ca 0.41 -0.21 0.08 0.00 0.77 0.00 0.00 66.41 67.46 1qfx h THR 420 Cb 0.25 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.60 1qfx h THR 420 CO -0.20 0.00 0.18 0.74 0.37 0.00 0.00 175.52 176.61 1qfx h THR 421 N -1.28 0.78 -0.36 3.16 2.02 -1.22 -2.55 112.91 113.46 1qfx h THR 421 Ca -0.11 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1qfx h THR 421 Cb 0.82 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1qfx h THR 421 CO 0.18 0.06 0.00 0.00 0.37 0.00 0.00 175.52 176.13 1qfx n ASN 423 N 0.55 -1.74 -4.70 0.00 3.02 -0.51 -3.70 115.26 108.18 1qfx n ASN 423 Ca 0.13 -1.14 -0.42 0.00 -0.03 0.00 0.00 54.58 53.11 1qfx n ASN 423 Cb 0.38 -2.44 -0.03 0.00 -0.61 0.00 0.00 39.78 37.08 1qfx n ASN 423 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qfx s VAL 424 N -3.88 4.68 0.23 2.41 1.01 -0.14 -4.91 120.40 119.78 1qfx s VAL 424 Ca 0.20 1.94 -0.31 0.00 0.00 0.00 0.00 61.98 63.80 1qfx s VAL 424 Cb -0.09 -4.24 -0.15 0.00 0.00 0.00 0.00 36.38 31.90 1qfx s VAL 424 CO 0.93 0.08 1.16 -0.24 0.00 0.00 0.00 175.10 177.03 1qfx n SER 425 N 4.48 1.60 0.31 3.32 2.88 -1.26 -4.83 113.62 120.11 1qfx n SER 425 Ca 0.08 1.16 0.21 0.00 -1.33 0.00 0.00 58.87 58.98 1qfx n SER 425 Cb 0.49 -1.28 1.05 0.00 -0.75 0.00 0.00 64.21 63.72 1qfx n SER 425 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qfx h ALA 426 N 3.05 1.00 -0.01 -1.46 0.00 -1.99 -1.46 119.26 118.40 1qfx h ALA 426 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1qfx h ALA 426 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1qfx h ALA 426 CO 0.68 0.00 -0.03 -1.13 0.00 0.00 0.00 179.25 178.77 1qfx n SER 427 N -3.01 0.54 -4.97 0.00 3.41 -1.26 -4.85 113.62 103.48 1qfx n SER 427 Ca -0.02 -0.97 -0.21 0.00 -0.26 0.00 0.00 58.87 57.41 1qfx n SER 427 Cb 0.12 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.02 1qfx n SER 427 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1qfx s TYR 428 N -2.16 3.43 0.18 7.33 2.02 -0.55 -5.04 117.35 122.55 1qfx s TYR 428 Ca 0.39 -0.01 -0.33 0.00 -0.37 0.00 0.00 57.07 56.75 1qfx s TYR 428 Cb 0.21 -1.62 -0.13 0.00 -0.40 0.00 0.00 41.96 40.02 1qfx s TYR 428 CO 0.40 0.39 1.65 -2.30 -1.57 0.00 0.00 175.55 174.12 1qfx n PRO 429 N -1.45 2.44 0.00 -1.71 -0.02 -1.26 -4.85 135.00 128.16 1qfx n PRO 429 Ca -0.08 0.88 0.13 0.00 -2.02 0.00 0.00 63.50 62.41 1qfx n PRO 429 Cb 0.57 -2.69 0.26 0.00 -0.02 0.00 0.00 33.50 31.62 1qfx n PRO 429 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1qfx n GLN 430 N 3.78 1.77 -3.94 -0.52 1.13 -1.26 -0.91 117.38 117.43 1qfx n GLN 430 Ca 0.17 -1.30 -0.10 0.00 -1.94 0.00 0.00 57.00 53.83 1qfx n GLN 430 Cb 0.32 -1.47 -0.11 0.00 0.11 0.00 0.00 30.24 29.09 1qfx n GLN 430 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1qfx s TYR 431 N -2.13 0.18 0.08 1.08 2.02 -1.26 -4.74 117.35 112.58 1qfx s TYR 431 Ca 0.30 -0.39 -0.28 0.00 -0.37 0.00 0.00 57.07 56.32 1qfx s TYR 431 Cb 0.20 -0.14 -0.05 0.00 -0.40 0.00 0.00 41.96 41.56 1qfx s TYR 431 CO 0.38 -0.21 0.89 -1.17 -1.57 0.00 0.00 175.55 173.87 1qfx s LEU 432 N -1.39 4.47 0.00 -1.29 0.20 -1.24 -3.42 118.68 116.02 1qfx s LEU 432 Ca -0.15 1.66 0.00 0.00 0.69 0.00 0.00 54.13 56.33 1qfx s LEU 432 Cb -0.09 -3.46 0.00 0.00 -0.43 0.00 0.00 46.19 42.21 1qfx s LEU 432 CO -0.00 -0.05 0.00 -1.54 -0.29 0.00 0.00 176.35 174.46 1qfx n SER 433 N 2.90 2.39 0.10 3.68 3.41 -1.26 -4.83 113.62 120.01 1qfx n SER 433 Ca 0.01 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.82 1qfx n SER 433 Cb 0.50 0.43 0.72 0.00 -0.26 0.00 0.00 64.21 65.60 1qfx n SER 433 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 1qfx h PHE 434 N 0.00 0.00 0.00 7.33 -5.15 -1.92 0.33 116.94 117.53 1qfx h PHE 434 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1qfx h PHE 434 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.26 1qfx h PHE 434 CO 0.00 0.00 0.00 -1.49 -2.00 0.00 0.00 178.31 174.82 1qfx h TRP 435 N 0.00 0.00 0.00 6.09 6.55 -2.01 -3.27 115.95 123.30 1qfx h TRP 435 Ca 0.19 0.00 -0.17 0.00 0.95 0.00 0.00 58.89 59.86 1qfx h TRP 435 Cb 1.20 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 29.47 1qfx h TRP 435 CO 0.00 0.00 -1.68 0.91 -1.05 0.00 0.00 178.44 176.62 1qfx n TRP 436 N -3.06 0.00 -3.89 0.49 8.01 0.89 -4.88 117.44 115.01 1qfx n TRP 436 Ca 0.01 0.00 -0.34 0.00 -1.31 0.00 0.00 57.50 55.87 1qfx n TRP 436 Cb 0.33 -0.48 -0.13 0.00 -2.01 0.00 0.00 31.31 29.02 1qfx n TRP 436 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.69 175.88 1qfx s ASN 437 N -4.17 4.98 0.29 -0.99 0.02 0.28 -5.07 114.94 110.29 1qfx s ASN 437 Ca -0.05 -2.22 -0.00 0.00 -1.02 0.00 0.00 52.86 49.57 1qfx s ASN 437 Cb 0.03 -1.73 -0.02 0.00 0.02 0.00 0.00 41.25 39.55 1qfx s ASN 437 CO 0.42 -0.44 0.33 -0.72 0.02 0.00 0.00 177.10 176.71 1qfx s TYR 438 N 0.85 1.23 0.22 2.20 -0.85 -1.26 -4.27 117.35 115.47 1qfx s TYR 438 Ca 0.11 -1.37 0.06 0.00 -0.52 0.00 0.00 57.07 55.35 1qfx s TYR 438 Cb -0.21 -0.37 -0.04 0.00 0.38 0.00 0.00 41.96 41.72 1qfx s TYR 438 CO -0.05 -0.92 0.17 -0.80 -1.52 0.00 0.00 175.55 172.43 1qfx s ASN 439 N -3.24 5.51 -0.01 -0.18 0.01 -1.26 -5.02 114.94 110.75 1qfx s ASN 439 Ca 0.35 -0.21 0.05 0.00 -0.71 0.00 0.00 52.86 52.33 1qfx s ASN 439 Cb 0.02 -1.41 0.12 0.00 0.41 0.00 0.00 41.25 40.39 1qfx s ASN 439 CO 0.19 0.00 1.10 0.35 -1.51 0.00 0.00 177.10 177.23 1qfx n THR 440 N -0.88 1.07 -2.31 1.60 -2.24 -1.26 -4.79 114.28 105.47 1qfx n THR 440 Ca -0.08 -1.07 -0.33 0.00 -2.27 0.00 0.00 64.05 60.29 1qfx n THR 440 Cb 0.57 0.45 -0.01 0.00 -2.10 0.00 0.00 70.33 69.24 1qfx n THR 440 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1qfx s THR 441 N -1.12 3.84 -1.20 4.28 -4.23 -1.26 -4.77 115.64 111.19 1qfx s THR 441 Ca 0.10 1.00 0.14 0.00 -1.18 0.00 0.00 61.69 61.76 1qfx s THR 441 Cb 0.06 -3.44 0.42 0.00 1.34 0.00 0.00 72.50 70.88 1qfx s THR 441 CO 0.05 -0.39 1.35 0.35 -0.54 0.00 0.00 174.62 175.45 1qfx n THR 442 N -1.49 1.07 -0.19 3.99 -2.24 -1.26 -4.23 114.28 109.93 1qfx n THR 442 Ca 0.09 -1.04 0.16 0.00 -2.27 0.00 0.00 64.05 60.99 1qfx n THR 442 Cb 0.53 0.46 0.50 0.00 -2.10 0.00 0.00 70.33 69.72 1qfx n THR 442 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1qfx h GLU 443 N 2.72 0.42 -0.01 -0.78 4.11 -1.92 -1.92 114.58 117.19 1qfx h GLU 443 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1qfx h GLU 443 Cb 0.85 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1qfx h GLU 443 CO 0.01 0.27 -0.02 1.28 0.07 0.00 0.00 179.01 180.63 1qfx n LEU 444 N -4.49 1.23 -0.23 3.06 4.77 -1.26 -4.34 117.00 115.75 1qfx n LEU 444 Ca 0.15 -0.40 -0.01 0.00 -0.03 0.00 0.00 56.01 55.73 1qfx n LEU 444 Cb 0.56 -0.01 0.21 0.00 -2.33 0.00 0.00 43.42 41.84 1qfx n LEU 444 CO 0.32 0.21 1.20 0.78 -1.33 0.00 0.00 177.39 178.56 1qfx h ASN 445 N 1.90 0.90 -3.85 -1.43 4.21 -1.65 -3.43 115.58 112.23 1qfx h ASN 445 Ca 0.00 -0.05 -0.68 0.00 1.21 0.00 0.00 56.30 56.77 1qfx h ASN 445 Cb 0.43 -0.23 -0.21 0.00 -1.12 0.00 0.00 38.32 37.19 1qfx h ASN 445 CO 0.00 0.70 -0.75 -0.31 -1.29 0.00 0.00 177.43 175.78 1qfx s TYR 446 N -5.77 2.75 0.31 1.19 1.51 -1.26 -4.83 117.35 111.25 1qfx s TYR 446 Ca -0.11 -0.12 -0.29 0.00 -1.01 0.00 0.00 57.07 55.53 1qfx s TYR 446 Cb 0.17 -1.60 -0.10 0.00 -0.11 0.00 0.00 41.96 40.33 1qfx s TYR 446 CO 0.79 0.27 1.33 0.50 -1.11 0.00 0.00 175.55 177.34 1qfx s ARG 447 N -1.10 4.34 0.00 -0.62 3.52 -1.26 -4.94 118.95 118.88 1qfx s ARG 447 Ca 0.14 2.23 0.02 0.00 -0.13 0.00 0.00 55.73 57.99 1qfx s ARG 447 Cb -0.11 -3.08 0.03 0.00 -1.56 0.00 0.00 34.95 30.23 1qfx s ARG 447 CO 0.04 -0.24 0.74 -1.13 -0.81 0.00 0.00 175.30 173.90 1qfx n SER 448 N 1.16 1.53 -4.00 -2.12 3.41 -1.26 -5.06 113.62 107.28 1qfx n SER 448 Ca 0.01 -1.43 -0.09 0.00 -0.26 0.00 0.00 58.87 57.11 1qfx n SER 448 Cb 0.42 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 64.27 1qfx n SER 448 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1qfx s SER 449 N -0.48 0.20 0.93 4.04 1.04 -1.26 -5.16 113.70 113.01 1qfx s SER 449 Ca 0.03 -0.92 -0.10 0.00 0.48 0.00 0.00 55.95 55.44 1qfx s SER 449 Cb 0.02 0.34 0.15 0.00 0.10 0.00 0.00 66.02 66.63 1qfx s SER 449 CO 0.02 -0.76 1.13 -2.84 0.98 0.00 0.00 173.24 171.77 1qfx s PRO 450 N -3.95 0.94 -0.21 4.02 0.02 -1.26 -4.91 135.00 129.65 1qfx s PRO 450 Ca 0.14 1.46 -0.29 0.00 0.02 0.00 0.00 61.00 62.33 1qfx s PRO 450 Cb 0.05 -1.72 -0.01 0.00 0.02 0.00 0.00 34.50 32.84 1qfx s PRO 450 CO -0.04 -2.66 1.25 0.42 -0.33 0.00 0.00 177.00 175.65 1qfx s ILE 451 N -2.65 4.28 0.94 2.83 -1.09 -1.26 -4.98 121.20 119.27 1qfx s ILE 451 Ca 0.66 1.52 -0.10 0.00 -2.23 0.00 0.00 60.65 60.50 1qfx s ILE 451 Cb -0.22 -4.07 0.16 0.00 -1.58 0.00 0.00 42.46 36.75 1qfx s ILE 451 CO 0.58 -0.23 1.12 0.00 -1.23 0.00 0.00 174.94 175.18 1qfx n ALA 452 N 6.85 -1.04 -1.85 9.38 0.00 -1.26 -4.87 120.51 127.72 1qfx n ALA 452 Ca 0.14 -0.61 -0.42 0.00 0.00 0.00 0.00 53.44 52.54 1qfx n ALA 452 Cb 0.45 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.70 1qfx n ALA 452 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qfx n GLN 454 N 7.63 -3.47 -1.69 0.00 6.02 0.22 -4.81 117.38 121.27 1qfx n GLN 454 Ca 0.20 0.83 -0.60 0.00 -0.01 0.00 0.00 57.00 57.43 1qfx n GLN 454 Cb 0.43 -5.59 -0.08 0.00 1.02 0.00 0.00 30.24 26.02 1qfx n GLN 454 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1qfx n GLU 455 N -3.55 0.83 0.00 -1.09 2.13 -0.78 -4.86 120.64 113.33 1qfx n GLU 455 Ca -0.14 0.30 0.00 0.00 0.66 0.00 0.00 57.16 57.98 1qfx n GLU 455 Cb 0.63 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 30.38 1qfx n GLU 455 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qfx n GLY 456 N 4.38 1.21 3.53 8.31 0.00 -1.26 -4.57 105.19 116.80 1qfx n GLY 456 Ca 0.29 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.84 1qfx n GLY 456 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qfx n ASP 457 N 0.00 0.63 -3.46 1.61 9.92 -1.26 -1.04 116.55 122.94 1qfx n ASP 457 Ca 0.00 1.15 -0.12 0.00 -0.53 0.00 0.00 54.79 55.30 1qfx n ASP 457 Cb 0.00 -1.16 -0.03 0.00 -0.64 0.00 0.00 41.12 39.29 1qfx n ASP 457 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qfx s ALA 458 N -0.69 -1.70 -0.06 2.24 0.00 -0.77 -4.69 121.76 116.09 1qfx s ALA 458 Ca 0.67 0.80 0.09 0.00 0.00 0.00 0.00 51.96 53.51 1qfx s ALA 458 Cb -0.84 0.57 0.13 0.00 0.00 0.00 0.00 23.12 22.98 1qfx s ALA 458 CO 0.56 -0.68 1.02 -1.33 0.00 0.00 0.00 175.76 175.34 1qfx n MET 459 N -0.13 1.01 0.00 0.00 2.81 -1.26 -3.27 117.12 116.27 1qfx n MET 459 Ca -0.14 -1.74 0.00 0.00 -1.81 0.00 0.00 57.70 54.01 1qfx n MET 459 Cb 0.63 -1.02 0.00 0.00 -0.71 0.00 0.00 33.22 32.11 1qfx n MET 459 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01