#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qni s HIS 11 N 0.00 1.10 -0.27 0.00 4.02 -1.26 -4.59 115.29 114.28 1qni s HIS 11 Ca 0.00 -0.27 -0.05 0.00 1.02 0.00 0.00 55.06 55.76 1qni s HIS 11 Cb 0.00 -0.76 0.01 0.00 -1.02 0.00 0.00 32.58 30.81 1qni s HIS 11 CO 0.00 -0.09 0.02 0.08 1.02 0.00 0.00 174.74 175.77 1qni s VAL 12 N 0.07 3.61 0.49 -0.90 1.01 -1.26 -5.02 120.40 118.40 1qni s VAL 12 Ca -0.02 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 1qni s VAL 12 Cb -0.08 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 1qni s VAL 12 CO 0.01 0.18 0.77 0.00 0.00 0.00 0.00 175.10 176.06 1qni s ALA 13 N 1.46 3.48 -0.10 5.51 0.00 -1.26 -4.95 121.76 125.90 1qni s ALA 13 Ca 0.03 -0.74 -0.38 0.00 0.00 0.00 0.00 51.96 50.87 1qni s ALA 13 Cb -0.16 -2.44 -0.16 0.00 0.00 0.00 0.00 23.12 20.36 1qni s ALA 13 CO -0.00 -0.46 1.60 -2.30 0.00 0.00 0.00 175.76 174.59 1qni n PRO 14 N -2.27 1.31 0.00 0.00 -0.02 -1.26 -0.65 135.00 132.11 1qni n PRO 14 Ca 0.01 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1qni n PRO 14 Cb 0.57 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1qni n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qni n GLY 15 N 3.55 2.99 3.90 -1.23 0.00 -1.26 -5.05 105.19 108.09 1qni n GLY 15 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 1qni n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qni s GLU 16 N -0.30 3.63 0.20 1.61 2.02 0.18 -5.10 118.70 120.93 1qni s GLU 16 Ca 0.00 0.27 0.10 0.00 0.02 0.00 0.00 54.97 55.36 1qni s GLU 16 Cb 0.00 -2.40 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 1qni s GLU 16 CO 0.00 -0.12 -0.13 -0.51 0.02 0.00 0.00 175.26 174.53 1qni s LEU 17 N -4.35 2.84 1.13 1.80 1.43 -1.26 -4.77 118.68 115.49 1qni s LEU 17 Ca 0.48 -0.68 -0.16 0.00 -1.03 0.00 0.00 54.13 52.74 1qni s LEU 17 Cb -0.10 -1.52 0.25 0.00 0.03 0.00 0.00 46.19 44.85 1qni s LEU 17 CO 0.39 0.10 1.10 -1.81 0.23 0.00 0.00 176.35 176.36 1qni s ASP 18 N -2.89 1.54 -0.16 2.29 1.11 -1.26 -5.02 116.67 112.28 1qni s ASP 18 Ca 0.25 0.87 0.07 0.00 0.18 0.00 0.00 52.55 53.92 1qni s ASP 18 Cb -0.08 -1.30 -0.15 0.00 1.07 0.00 0.00 42.92 42.46 1qni s ASP 18 CO 0.14 -3.77 -0.05 -0.62 1.18 0.00 0.00 175.17 172.05 1qni n GLU 19 N -4.56 1.11 -4.40 8.23 1.02 -0.18 -4.91 120.64 116.94 1qni n GLU 19 Ca 0.09 0.05 -0.23 0.00 -0.02 0.00 0.00 57.16 57.05 1qni n GLU 19 Cb 0.59 -1.36 -0.11 0.00 -0.02 0.00 0.00 31.44 30.54 1qni n GLU 19 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1qni s TYR 20 N -2.35 2.07 -0.12 -0.32 1.51 -0.97 -0.31 117.35 116.86 1qni s TYR 20 Ca -0.15 -0.41 -0.11 0.00 -1.01 0.00 0.00 57.07 55.38 1qni s TYR 20 Cb 0.05 -0.98 -0.05 0.00 -0.11 0.00 0.00 41.96 40.88 1qni s TYR 20 CO 0.49 0.50 0.24 0.71 -1.11 0.00 0.00 175.55 176.38 1qni s TYR 21 N -2.23 3.55 -0.29 2.71 2.02 0.14 -1.48 117.35 121.77 1qni s TYR 21 Ca 0.22 0.61 -0.04 0.00 -0.37 0.00 0.00 57.07 57.49 1qni s TYR 21 Cb -0.05 -2.17 0.03 0.00 -0.40 0.00 0.00 41.96 39.37 1qni s TYR 21 CO 0.10 0.49 0.03 0.20 -1.57 0.00 0.00 175.55 174.80 1qni s GLY 22 N -0.35 1.75 -0.61 0.71 0.00 0.25 -1.70 107.32 107.37 1qni s GLY 22 Ca 0.16 -1.60 -0.14 0.00 0.00 0.00 0.00 44.72 43.14 1qni s GLY 22 CO 0.05 0.66 0.54 -1.36 0.00 0.00 0.00 173.10 172.99 1qni s PHE 23 N 1.37 3.42 0.08 1.90 0.08 -0.07 0.19 117.98 124.95 1qni s PHE 23 Ca -0.01 -1.63 -0.20 0.00 0.12 0.00 0.00 56.93 55.21 1qni s PHE 23 Cb -0.18 -3.73 -0.07 0.00 -0.57 0.00 0.00 43.02 38.47 1qni s PHE 23 CO -0.00 -1.00 0.60 -1.58 -0.10 0.00 0.00 175.22 173.14 1qni s TRP 24 N 1.12 3.81 0.62 0.36 0.51 0.92 -1.56 118.94 124.72 1qni s TRP 24 Ca 0.08 1.32 -0.12 0.00 -2.12 0.00 0.00 56.10 55.25 1qni s TRP 24 Cb -0.24 -2.54 -0.03 0.00 -0.81 0.00 0.00 33.47 29.85 1qni s TRP 24 CO -0.01 0.56 1.04 -1.54 -0.51 0.00 0.00 176.95 176.48 1qni s SER 25 N -1.03 5.96 0.00 2.95 1.04 -1.10 -0.88 113.70 120.64 1qni s SER 25 Ca 0.30 1.56 0.18 0.00 0.48 0.00 0.00 55.95 58.48 1qni s SER 25 Cb -0.20 -2.49 0.25 0.00 0.10 0.00 0.00 66.02 63.68 1qni s SER 25 CO 0.20 -1.05 1.19 0.61 0.98 0.00 0.00 173.24 175.17 1qni n GLY 26 N -2.07 1.06 7.00 7.32 0.00 -0.49 -4.37 105.19 113.65 1qni n GLY 26 Ca 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1qni n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qni n GLY 27 N 1.09 2.62 1.08 -0.02 0.00 0.78 -1.54 105.19 109.19 1qni n GLY 27 Ca 0.13 -0.35 0.05 0.00 0.00 0.00 0.00 46.02 45.85 1qni n GLY 27 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1qni n HIS 28 N 13.50 0.93 0.09 1.61 1.44 -1.26 0.25 115.22 131.78 1qni n HIS 28 Ca 0.00 -0.35 0.02 0.00 -2.01 0.00 0.00 57.72 55.38 1qni n HIS 28 Cb 0.00 -0.21 -0.02 0.00 0.12 0.00 0.00 29.99 29.88 1qni n HIS 28 CO 0.00 0.00 0.00 0.37 -2.81 0.00 0.00 176.34 173.90 1qni h GLN 29 N 2.26 0.00 0.00 -1.40 -0.00 -1.44 -3.42 115.11 111.12 1qni h GLN 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1qni h GLN 29 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.51 1qni h GLN 29 CO 0.17 0.37 0.00 0.41 0.00 0.00 0.00 178.83 179.78 1qni n GLY 30 N 1.29 3.01 2.45 2.39 0.00 -1.22 -4.61 105.19 108.51 1qni n GLY 30 Ca -0.03 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 1qni n GLY 30 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1qni n GLU 31 N 0.00 0.18 -4.54 1.61 0.28 -1.26 -2.29 120.64 114.62 1qni n GLU 31 Ca 0.00 -1.73 -0.26 0.00 -0.16 0.00 0.00 57.16 55.02 1qni n GLU 31 Cb 0.00 -0.41 -0.17 0.00 1.43 0.00 0.00 31.44 32.29 1qni n GLU 31 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1qni s VAL 32 N -1.84 1.21 -0.13 3.84 1.01 -0.55 -1.39 120.40 122.55 1qni s VAL 32 Ca 0.42 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 1qni s VAL 32 Cb -0.02 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1qni s VAL 32 CO 0.28 0.38 0.06 -0.13 0.00 0.00 0.00 175.10 175.68 1qni s ARG 33 N 0.79 3.49 -0.37 2.72 0.52 -0.06 0.44 118.95 126.48 1qni s ARG 33 Ca -0.12 -0.32 -0.10 0.00 -0.52 0.00 0.00 55.73 54.67 1qni s ARG 33 Cb -0.15 -3.05 0.03 0.00 0.52 0.00 0.00 34.95 32.29 1qni s ARG 33 CO 0.02 0.55 0.18 0.08 0.02 0.00 0.00 175.30 176.15 1qni s VAL 34 N -0.41 4.40 0.23 3.52 1.01 0.25 -0.05 120.40 129.35 1qni s VAL 34 Ca 0.09 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.22 1qni s VAL 34 Cb -0.12 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1qni s VAL 34 CO 0.02 -0.22 0.21 -0.76 0.00 0.00 0.00 175.10 174.35 1qni s LEU 35 N 1.52 3.89 -0.23 3.92 1.43 0.51 0.79 118.68 130.52 1qni s LEU 35 Ca 0.01 -0.18 -0.09 0.00 -1.03 0.00 0.00 54.13 52.85 1qni s LEU 35 Cb -0.19 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 1qni s LEU 35 CO 0.06 -0.02 0.11 -0.83 0.23 0.00 0.00 176.35 175.90 1qni s GLY 36 N -3.73 1.91 -0.05 -3.19 0.00 0.62 0.85 107.32 103.73 1qni s GLY 36 Ca 0.33 -0.91 -0.00 0.00 0.00 0.00 0.00 44.72 44.13 1qni s GLY 36 CO 0.25 0.33 0.01 0.14 0.00 0.00 0.00 173.10 173.83 1qni s VAL 37 N 1.00 4.29 -1.86 1.40 1.01 -0.55 0.13 120.40 125.83 1qni s VAL 37 Ca 0.06 -0.39 0.10 0.00 0.00 0.00 0.00 61.98 61.75 1qni s VAL 37 Cb -0.14 -2.86 0.31 0.00 0.00 0.00 0.00 36.38 33.69 1qni s VAL 37 CO 0.03 0.50 1.23 -0.81 0.00 0.00 0.00 175.10 176.06 1qni n PRO 38 N 1.77 1.90 0.22 2.72 -0.04 -1.26 -1.01 135.00 139.30 1qni n PRO 38 Ca -0.17 -1.26 0.09 0.00 -0.04 0.00 0.00 63.50 62.12 1qni n PRO 38 Cb 0.53 -1.33 0.50 0.00 -0.04 0.00 0.00 33.50 33.17 1qni n PRO 38 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1qni h SER 39 N 1.99 0.00 -2.08 3.54 4.64 -1.75 -3.45 113.55 116.44 1qni h SER 39 Ca 0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 1qni h SER 39 Cb 0.54 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.60 1qni h SER 39 CO 0.02 0.25 -0.40 0.23 -0.87 0.00 0.00 176.83 176.07 1qni n MET 40 N -3.62 -1.25 -3.51 4.77 2.81 0.36 -5.00 117.12 111.68 1qni n MET 40 Ca -0.01 0.81 -0.33 0.00 -1.81 0.00 0.00 57.70 56.36 1qni n MET 40 Cb 0.38 -5.17 -0.05 0.00 -0.71 0.00 0.00 33.22 27.67 1qni n MET 40 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1qni s ARG 41 N -4.62 3.78 -0.30 0.03 0.52 -1.15 -4.82 118.95 112.40 1qni s ARG 41 Ca 0.00 0.20 -0.25 0.00 -0.52 0.00 0.00 55.73 55.16 1qni s ARG 41 Cb 0.00 -2.84 0.00 0.00 0.52 0.00 0.00 34.95 32.63 1qni s ARG 41 CO 0.00 0.45 0.85 -2.00 0.02 0.00 0.00 175.30 174.62 1qni s GLU 42 N -2.37 4.02 -0.12 3.54 2.12 -1.26 -0.28 118.70 124.35 1qni s GLU 42 Ca 0.40 0.75 0.14 0.00 0.36 0.00 0.00 54.97 56.63 1qni s GLU 42 Cb -0.13 -3.71 -0.24 0.00 0.26 0.00 0.00 34.13 30.31 1qni s GLU 42 CO 0.21 -0.69 0.37 1.28 -0.54 0.00 0.00 175.26 175.89 1qni n LEU 43 N 6.29 0.57 -3.53 2.70 4.77 0.24 -4.96 117.00 123.08 1qni n LEU 43 Ca 0.06 0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 56.13 1qni n LEU 43 Cb 0.48 0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 41.79 1qni n LEU 43 CO 0.51 0.46 0.65 -0.32 -1.33 0.00 0.00 177.39 177.37 1qni s MET 44 N -2.55 0.80 -0.16 3.23 0.00 -0.89 -5.00 119.30 114.74 1qni s MET 44 Ca -0.08 0.01 0.01 0.00 0.00 0.00 0.00 55.69 55.63 1qni s MET 44 Cb 0.07 0.38 0.01 0.00 0.00 0.00 0.00 34.83 35.28 1qni s MET 44 CO 0.82 -0.29 -0.17 1.03 0.00 0.00 0.00 175.02 176.41 1qni s ARG 45 N -1.83 3.11 -0.49 4.11 0.52 -1.26 0.84 118.95 123.95 1qni s ARG 45 Ca -0.02 -0.79 -0.14 0.00 -0.52 0.00 0.00 55.73 54.26 1qni s ARG 45 Cb -0.01 -2.59 0.10 0.00 0.52 0.00 0.00 34.95 32.98 1qni s ARG 45 CO -0.00 -0.07 0.42 0.42 0.02 0.00 0.00 175.30 176.08 1qni s ILE 46 N 1.01 4.98 0.27 1.52 1.01 0.17 -4.96 121.20 125.20 1qni s ILE 46 Ca -0.02 -1.37 -0.30 0.00 0.00 0.00 0.00 60.65 58.96 1qni s ILE 46 Cb -0.15 -4.11 -0.10 0.00 0.01 0.00 0.00 42.46 38.11 1qni s ILE 46 CO -0.04 -0.72 1.39 -2.16 0.00 0.00 0.00 174.94 173.41 1qni s PRO 47 N 1.56 4.30 0.16 2.79 0.04 -1.26 -1.48 135.00 141.11 1qni s PRO 47 Ca 0.04 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1qni s PRO 47 Cb -0.27 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1qni s PRO 47 CO 0.04 -0.34 0.00 0.28 0.04 0.00 0.00 177.00 177.02 1qni n VAL 48 N 1.86 0.56 0.46 -0.36 0.31 -1.25 -4.37 118.33 115.54 1qni n VAL 48 Ca 0.05 0.18 0.05 0.00 -0.01 0.00 0.00 64.34 64.61 1qni n VAL 48 Cb 0.41 -1.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.32 1qni n VAL 48 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1qni n PHE 49 N -3.33 0.00 -2.93 3.52 3.72 -0.97 -5.00 117.46 112.47 1qni n PHE 49 Ca 0.00 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.20 1qni n PHE 49 Cb 0.00 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.56 1qni n PHE 49 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1qni s ASN 50 N -1.54 5.58 -0.35 4.37 6.03 -1.25 -3.77 114.94 124.00 1qni s ASN 50 Ca 0.07 -0.14 -0.09 0.00 -1.03 0.00 0.00 52.86 51.67 1qni s ASN 50 Cb 0.08 -0.94 0.03 0.00 -3.03 0.00 0.00 41.25 37.39 1qni s ASN 50 CO 0.30 -0.85 0.16 -0.69 -2.03 0.00 0.00 177.10 173.99 1qni s VAL 51 N -2.51 4.27 -0.26 3.54 1.01 -1.26 -4.70 120.40 120.49 1qni s VAL 51 Ca 0.54 -0.89 -0.20 0.00 0.00 0.00 0.00 61.98 61.43 1qni s VAL 51 Cb -0.10 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1qni s VAL 51 CO 0.35 -0.16 0.59 -0.62 0.00 0.00 0.00 175.10 175.26 1qni s ASP 52 N 1.51 6.53 0.54 3.32 2.15 -0.61 -4.94 116.67 125.15 1qni s ASP 52 Ca 0.01 0.63 0.32 0.00 0.43 0.00 0.00 52.55 53.94 1qni s ASP 52 Cb -0.19 -2.32 1.47 0.00 -0.30 0.00 0.00 42.92 41.58 1qni s ASP 52 CO 0.05 -0.35 2.04 -1.28 -0.17 0.00 0.00 175.17 175.46 1qni h SER 53 N 7.95 0.00 0.00 -0.34 0.87 -1.95 -1.57 113.55 118.52 1qni h SER 53 Ca -0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 1qni h SER 53 Cb 1.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1qni h SER 53 CO 0.76 0.08 0.00 0.00 -0.53 0.00 0.00 176.83 177.13 1qni n ALA 54 N -2.17 -0.02 0.36 6.23 0.00 -1.26 -4.24 120.51 119.41 1qni n ALA 54 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.57 1qni n ALA 54 Cb 0.28 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.28 1qni n ALA 54 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1qni h THR 55 N 0.00 0.00 0.00 0.00 1.35 -1.90 -3.34 112.91 109.02 1qni h THR 55 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1qni h THR 55 Cb 0.00 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 1qni h THR 55 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1qni n GLY 56 N -0.01 0.57 3.64 5.82 0.00 -0.60 -1.56 105.19 113.04 1qni n GLY 56 Ca 0.02 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.08 1qni n GLY 56 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1qni s TRP 57 N -2.00 1.68 0.00 1.61 -0.11 -1.13 0.71 118.94 119.71 1qni s TRP 57 Ca 0.00 0.22 0.00 0.00 1.22 0.00 0.00 56.10 57.54 1qni s TRP 57 Cb 0.00 -4.03 0.00 0.00 -1.50 0.00 0.00 33.47 27.94 1qni s TRP 57 CO 0.00 -4.01 0.00 0.41 -4.62 0.00 0.00 176.95 168.73 1qni n GLY 58 N 4.75 1.17 0.14 5.86 0.00 -1.26 -1.58 105.19 114.27 1qni n GLY 58 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 1qni n GLY 58 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1qni n ILE 59 N -1.35 0.78 -2.01 -0.61 5.41 0.22 -4.79 119.36 117.02 1qni n ILE 59 Ca 0.00 -0.28 -0.35 0.00 1.00 0.00 0.00 62.75 63.12 1qni n ILE 59 Cb 0.00 -1.10 0.03 0.00 -0.71 0.00 0.00 39.64 37.86 1qni n ILE 59 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1qni s THR 60 N -2.27 3.01 0.34 1.39 -4.23 0.47 -4.62 115.64 109.74 1qni s THR 60 Ca -0.19 0.57 0.05 0.00 -1.18 0.00 0.00 61.69 60.95 1qni s THR 60 Cb 0.05 -3.17 0.14 0.00 1.34 0.00 0.00 72.50 70.87 1qni s THR 60 CO 0.31 -0.19 1.86 0.78 -0.54 0.00 0.00 174.62 176.83 1qni h ASN 61 N 0.69 0.43 0.81 3.99 4.21 -1.63 -1.75 115.58 122.33 1qni h ASN 61 Ca -0.49 -0.09 -0.04 0.00 1.21 0.00 0.00 56.30 56.89 1qni h ASN 61 Cb 1.27 -0.11 0.01 0.00 -1.12 0.00 0.00 38.32 38.36 1qni h ASN 61 CO 0.55 0.55 -0.41 -0.33 -1.29 0.00 0.00 177.43 176.51 1qni h GLU 62 N 0.43 -1.07 -0.01 0.81 3.07 -1.92 -1.09 114.58 114.80 1qni h GLU 62 Ca 0.09 0.07 0.02 0.00 -0.50 0.00 0.00 59.36 59.04 1qni h GLU 62 Cb 0.40 0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 28.52 1qni h GLU 62 CO 0.02 -0.71 -0.14 0.66 -1.40 0.00 0.00 179.01 177.44 1qni h SER 63 N -1.11 -0.40 -0.94 1.42 4.64 -1.89 -2.24 113.55 113.04 1qni h SER 63 Ca -0.11 0.06 0.16 0.00 -0.47 0.00 0.00 61.79 61.43 1qni h SER 63 Cb 0.86 0.17 -0.10 0.00 -0.31 0.00 0.00 62.40 63.02 1qni h SER 63 CO 0.17 -0.19 0.54 0.11 -0.87 0.00 0.00 176.83 176.59 1qni h LYS 64 N -0.23 0.72 -0.95 4.77 1.57 -1.30 0.48 116.57 121.62 1qni h LYS 64 Ca 0.05 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1qni h LYS 64 Cb 0.29 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.39 1qni h LYS 64 CO -0.14 0.48 0.63 1.49 -0.57 0.00 0.00 179.45 181.34 1qni h GLU 65 N 0.74 1.25 -0.29 3.15 4.81 -0.62 0.40 114.58 124.03 1qni h GLU 65 Ca 0.52 -0.08 -0.18 0.00 -0.13 0.00 0.00 59.36 59.49 1qni h GLU 65 Cb 0.73 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1qni h GLU 65 CO -0.36 0.83 -0.53 0.82 -0.73 0.00 0.00 179.01 179.04 1qni h ILE 66 N 1.29 1.28 -0.76 2.32 2.04 -0.16 -3.06 117.51 120.45 1qni h ILE 66 Ca 0.35 -1.71 -0.04 0.00 1.00 0.00 0.00 64.86 64.45 1qni h ILE 66 Cb -0.14 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 1qni h ILE 66 CO -0.08 0.56 0.30 -0.07 0.00 0.00 0.00 178.15 178.86 1qni h LEU 67 N 0.65 1.04 0.00 1.44 3.38 0.60 -3.30 115.31 119.12 1qni h LEU 67 Ca 0.02 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1qni h LEU 67 Cb 1.14 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.62 1qni h LEU 67 CO 0.12 0.93 0.00 0.61 0.09 0.00 0.00 178.44 180.19 1qni n GLY 68 N -0.90 1.70 0.61 0.83 0.00 0.13 -4.91 105.19 102.66 1qni n GLY 68 Ca 0.07 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.71 1qni n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qni n GLY 69 N 0.00 -2.96 1.69 -0.02 0.00 -1.26 -4.61 105.19 98.02 1qni n GLY 69 Ca 0.00 -1.28 0.07 0.00 0.00 0.00 0.00 46.02 44.82 1qni n GLY 69 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qni n ASP 70 N -2.98 5.04 -3.70 1.61 5.68 -1.26 -4.89 116.55 116.05 1qni n ASP 70 Ca -0.04 -2.68 -0.14 0.00 -0.50 0.00 0.00 54.79 51.42 1qni n ASP 70 Cb 0.29 -0.63 -0.08 0.00 -1.14 0.00 0.00 41.12 39.56 1qni n ASP 70 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1qni s GLN 71 N -2.31 0.70 -0.14 0.11 0.74 -1.26 -5.15 119.66 112.34 1qni s GLN 71 Ca 0.50 0.14 -0.20 0.00 0.05 0.00 0.00 55.36 55.85 1qni s GLN 71 Cb 0.36 0.32 -0.03 0.00 1.10 0.00 0.00 33.01 34.75 1qni s GLN 71 CO 0.18 -0.17 0.57 -1.14 -0.55 0.00 0.00 175.29 174.18 1qni s GLN 72 N -0.82 4.30 -0.23 1.67 0.74 -1.26 -5.02 119.66 119.04 1qni s GLN 72 Ca -0.09 0.58 -0.03 0.00 0.05 0.00 0.00 55.36 55.88 1qni s GLN 72 Cb -0.04 -3.50 0.01 0.00 1.10 0.00 0.00 33.01 30.58 1qni s GLN 72 CO 0.04 -0.02 -0.07 0.71 -0.55 0.00 0.00 175.29 175.40 1qni s TYR 73 N 1.18 2.97 -2.14 1.67 2.02 -1.26 -4.97 117.35 116.82 1qni s TYR 73 Ca 0.29 -1.24 0.20 0.00 -0.37 0.00 0.00 57.07 55.95 1qni s TYR 73 Cb -0.16 -2.07 0.94 0.00 -0.40 0.00 0.00 41.96 40.27 1qni s TYR 73 CO 0.12 -0.65 1.64 1.28 -1.57 0.00 0.00 175.55 176.37 1qni n LEU 74 N 4.73 0.81 -4.19 -1.29 4.77 -1.26 -4.89 117.00 115.68 1qni n LEU 74 Ca -0.18 -0.34 -0.16 0.00 -0.03 0.00 0.00 56.01 55.31 1qni n LEU 74 Cb 0.49 -0.05 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 1qni n LEU 74 CO 0.28 0.17 -0.06 0.54 -1.33 0.00 0.00 177.39 176.99 1qni s ASN 75 N -1.58 0.97 0.15 -1.43 6.03 -1.25 -4.35 114.94 113.47 1qni s ASN 75 Ca 0.30 -1.54 -0.24 0.00 -1.03 0.00 0.00 52.86 50.35 1qni s ASN 75 Cb 0.15 0.54 0.08 0.00 -3.03 0.00 0.00 41.25 38.99 1qni s ASN 75 CO 0.24 -1.07 1.04 -0.83 -2.03 0.00 0.00 177.10 174.45 1qni s GLY 76 N -3.26 -0.10 -0.39 0.45 0.00 -1.25 -4.74 107.32 98.03 1qni s GLY 76 Ca 0.36 -0.02 0.04 0.00 0.00 0.00 0.00 44.72 45.10 1qni s GLY 76 CO 0.20 1.21 0.41 -0.35 0.00 0.00 0.00 173.10 174.57 1qni s ASP 77 N -3.17 0.93 -0.16 1.64 2.15 -1.25 -3.96 116.67 112.84 1qni s ASP 77 Ca 0.17 -1.79 -0.15 0.00 0.43 0.00 0.00 52.55 51.21 1qni s ASP 77 Cb -0.01 0.57 -0.04 0.00 -0.30 0.00 0.00 42.92 43.13 1qni s ASP 77 CO 0.03 -0.23 0.36 0.00 -0.17 0.00 0.00 175.17 175.16 1qni n HIS 79 N 3.80 0.00 -3.95 0.00 8.25 -1.26 -0.15 115.22 121.91 1qni n HIS 79 Ca -0.10 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.05 1qni n HIS 79 Cb 0.52 -0.20 -0.15 0.00 1.12 0.00 0.00 29.99 31.27 1qni n HIS 79 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1qni s HIS 80 N -2.10 2.75 -0.17 4.41 3.76 -1.26 -1.87 115.29 120.81 1qni s HIS 80 Ca -0.05 -2.12 -0.14 0.00 -0.15 0.00 0.00 55.06 52.60 1qni s HIS 80 Cb 0.02 -1.95 -0.05 0.00 1.11 0.00 0.00 32.58 31.71 1qni s HIS 80 CO 0.14 -0.84 0.31 -1.25 -0.85 0.00 0.00 174.74 172.24 1qni s PRO 81 N 1.27 4.24 -0.00 8.40 0.04 -1.26 -3.98 135.00 143.71 1qni s PRO 81 Ca -0.01 0.10 0.01 0.00 0.04 0.00 0.00 61.00 61.14 1qni s PRO 81 Cb -0.19 -3.45 -0.00 0.00 0.04 0.00 0.00 34.50 30.90 1qni s PRO 81 CO -0.09 0.18 -0.03 -1.01 0.04 0.00 0.00 177.00 176.09 1qni s HIS 82 N 0.66 0.31 -0.06 0.56 3.76 -0.44 -4.44 115.29 115.62 1qni s HIS 82 Ca 0.17 -0.06 -0.11 0.00 -0.15 0.00 0.00 55.06 54.91 1qni s HIS 82 Cb -0.13 -0.20 -0.05 0.00 1.11 0.00 0.00 32.58 33.31 1qni s HIS 82 CO 0.05 -0.01 0.28 -1.50 -0.85 0.00 0.00 174.74 172.71 1qni s ILE 83 N -0.06 5.26 0.89 0.60 2.07 -1.26 -0.12 121.20 128.58 1qni s ILE 83 Ca 0.01 0.54 -0.12 0.00 -1.41 0.00 0.00 60.65 59.67 1qni s ILE 83 Cb -0.02 -3.56 0.07 0.00 0.13 0.00 0.00 42.46 39.08 1qni s ILE 83 CO -0.00 0.59 0.81 -1.54 -1.91 0.00 0.00 174.94 172.89 1qni n SER 84 N 1.96 -0.62 -3.99 4.50 3.41 0.14 -4.87 113.62 114.15 1qni n SER 84 Ca -0.17 0.43 -0.08 0.00 -0.26 0.00 0.00 58.87 58.80 1qni n SER 84 Cb 0.54 -1.35 -0.09 0.00 -0.26 0.00 0.00 64.21 63.04 1qni n SER 84 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1qni s MET 85 N -3.96 0.70 -0.20 4.33 1.00 -1.26 -1.98 119.30 117.93 1qni s MET 85 Ca 0.64 -1.09 -0.02 0.00 0.00 0.00 0.00 55.69 55.22 1qni s MET 85 Cb -0.25 0.26 0.06 0.00 0.00 0.00 0.00 34.83 34.90 1qni s MET 85 CO 0.60 -0.17 0.02 0.99 0.00 0.00 0.00 175.02 176.46 1qni s THR 86 N -3.80 0.72 -1.22 2.05 2.01 0.12 -1.09 115.64 114.42 1qni s THR 86 Ca 0.05 -0.66 -0.01 0.00 0.31 0.00 0.00 61.69 61.39 1qni s THR 86 Cb 0.06 -1.16 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1qni s THR 86 CO -0.10 -0.17 1.00 -0.67 -0.69 0.00 0.00 174.62 173.99 1qni n ASP 87 N 4.98 -2.33 0.00 3.53 2.03 0.37 -2.66 116.55 122.47 1qni n ASP 87 Ca -0.09 -0.63 0.00 0.00 0.52 0.00 0.00 54.79 54.59 1qni n ASP 87 Cb 0.47 -5.06 0.00 0.00 -0.72 0.00 0.00 41.12 35.81 1qni n ASP 87 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qni n GLY 88 N -1.22 0.41 3.22 0.27 0.00 0.13 -4.90 105.19 103.10 1qni n GLY 88 Ca -0.27 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 1qni n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qni s ARG 89 N -0.54 1.43 0.07 1.61 0.52 -1.09 -1.01 118.95 119.95 1qni s ARG 89 Ca 0.00 -0.81 -0.31 0.00 -0.52 0.00 0.00 55.73 54.10 1qni s ARG 89 Cb 0.00 -1.46 -0.09 0.00 0.52 0.00 0.00 34.95 33.92 1qni s ARG 89 CO 0.00 0.38 1.85 0.71 0.02 0.00 0.00 175.30 178.27 1qni s TYR 90 N -0.64 1.84 -1.92 -0.53 2.02 -1.26 0.12 117.35 116.98 1qni s TYR 90 Ca 0.07 -0.14 0.23 0.00 -0.37 0.00 0.00 57.07 56.86 1qni s TYR 90 Cb -0.08 -4.17 0.01 0.00 -0.40 0.00 0.00 41.96 37.33 1qni s TYR 90 CO 0.01 -4.96 1.10 -0.40 -1.57 0.00 0.00 175.55 169.72 1qni n ASP 91 N 6.45 1.87 -2.25 2.29 5.68 -0.84 -4.82 116.55 124.93 1qni n ASP 91 Ca 0.18 -1.43 -0.19 0.00 -0.50 0.00 0.00 54.79 52.86 1qni n ASP 91 Cb 0.40 0.51 -0.02 0.00 -1.14 0.00 0.00 41.12 40.86 1qni n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qni n GLY 92 N 1.43 -0.08 0.10 6.12 0.00 -1.25 -4.90 105.19 106.61 1qni n GLY 92 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1qni n GLY 92 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qni h LYS 93 N 0.00 0.01 -5.07 1.61 3.64 -1.87 -3.42 116.57 111.46 1qni h LYS 93 Ca -0.44 -0.02 -0.39 0.00 -1.27 0.00 0.00 60.65 58.54 1qni h LYS 93 Cb 1.32 0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 33.00 1qni h LYS 93 CO 0.54 1.01 -0.65 0.71 -2.27 0.00 0.00 179.45 178.79 1qni s TYR 94 N -2.36 1.60 -0.03 1.91 2.02 -1.26 -2.90 117.35 116.32 1qni s TYR 94 Ca -0.28 -0.96 -0.01 0.00 -0.37 0.00 0.00 57.07 55.45 1qni s TYR 94 Cb 0.06 -0.95 0.03 0.00 -0.40 0.00 0.00 41.96 40.70 1qni s TYR 94 CO 0.60 -0.08 0.04 -1.17 -1.57 0.00 0.00 175.55 173.38 1qni s LEU 95 N -3.33 0.61 0.01 -1.29 0.20 -0.87 -0.69 118.68 113.32 1qni s LEU 95 Ca 0.31 0.06 0.04 0.00 0.69 0.00 0.00 54.13 55.23 1qni s LEU 95 Cb 0.06 -0.11 -0.03 0.00 -0.43 0.00 0.00 46.19 45.68 1qni s LEU 95 CO 0.10 -0.19 -0.10 -0.36 -0.29 0.00 0.00 176.35 175.51 1qni s PHE 96 N 1.62 2.78 0.04 5.38 0.40 0.83 0.45 117.98 129.49 1qni s PHE 96 Ca -0.02 -0.11 -0.07 0.00 -0.60 0.00 0.00 56.93 56.13 1qni s PHE 96 Cb -0.13 -1.57 -0.01 0.00 0.51 0.00 0.00 43.02 41.83 1qni s PHE 96 CO -0.03 0.32 0.13 -1.50 0.70 0.00 0.00 175.22 174.84 1qni s ILE 97 N -0.95 0.12 0.39 0.64 2.07 -0.60 -1.33 121.20 121.54 1qni s ILE 97 Ca 0.16 -0.99 0.04 0.00 -1.41 0.00 0.00 60.65 58.44 1qni s ILE 97 Cb -0.11 -0.86 -0.01 0.00 0.13 0.00 0.00 42.46 41.62 1qni s ILE 97 CO 0.06 -0.55 0.57 0.54 -1.91 0.00 0.00 174.94 173.65 1qni s ASN 98 N -2.05 5.90 -0.25 4.50 2.20 -1.26 -0.78 114.94 123.21 1qni s ASN 98 Ca -0.06 0.04 -0.03 0.00 -0.94 0.00 0.00 52.86 51.87 1qni s ASN 98 Cb -0.02 -1.38 0.08 0.00 -2.00 0.00 0.00 41.25 37.94 1qni s ASN 98 CO -0.04 -0.56 0.08 -0.62 -2.94 0.00 0.00 177.10 173.03 1qni s ASP 99 N -4.19 3.40 0.39 3.54 2.15 0.31 -3.43 116.67 118.84 1qni s ASP 99 Ca 0.46 -1.19 0.22 0.00 0.43 0.00 0.00 52.55 52.47 1qni s ASP 99 Cb -0.10 -0.60 0.27 0.00 -0.30 0.00 0.00 42.92 42.19 1qni s ASP 99 CO 0.34 -0.38 1.52 0.50 -0.17 0.00 0.00 175.17 176.98 1qni h LYS 100 N 8.25 0.00 -0.10 4.34 3.64 -0.92 -2.59 116.57 129.18 1qni h LYS 100 Ca -0.16 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.14 1qni h LYS 100 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1qni h LYS 100 CO 0.40 0.05 -0.23 0.00 -2.27 0.00 0.00 179.45 177.40 1qni h ALA 101 N 1.95 0.16 0.00 5.00 0.00 -1.88 -3.37 119.26 121.11 1qni h ALA 101 Ca -0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 1qni h ALA 101 Cb 1.04 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 1qni h ALA 101 CO 0.01 0.13 -0.55 0.09 0.00 0.00 0.00 179.25 178.92 1qni n ASN 102 N -4.50 1.54 -3.47 0.00 3.02 -1.26 -4.92 115.26 105.68 1qni n ASN 102 Ca -0.07 -3.26 -0.17 0.00 -0.03 0.00 0.00 54.58 51.05 1qni n ASN 102 Cb 0.43 -0.45 0.02 0.00 -0.61 0.00 0.00 39.78 39.17 1qni n ASN 102 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1qni n THR 103 N -0.73 -6.82 -4.06 3.41 -1.04 -1.06 -4.93 114.28 99.06 1qni n THR 103 Ca 0.15 -0.42 -0.08 0.00 -2.04 0.00 0.00 64.05 61.66 1qni n THR 103 Cb 0.79 -4.96 -0.09 0.00 -1.82 0.00 0.00 70.33 64.25 1qni n THR 103 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1qni s ARG 104 N -4.49 0.74 -0.04 -2.82 0.52 -1.00 -2.57 118.95 109.29 1qni s ARG 104 Ca 0.15 -1.22 0.01 0.00 -0.52 0.00 0.00 55.73 54.16 1qni s ARG 104 Cb -0.05 0.25 0.02 0.00 0.52 0.00 0.00 34.95 35.69 1qni s ARG 104 CO 0.83 -0.18 -0.06 0.08 0.02 0.00 0.00 175.30 175.99 1qni s VAL 105 N -3.94 0.60 0.21 3.52 1.01 -0.29 -0.53 120.40 120.99 1qni s VAL 105 Ca 0.11 -0.19 0.11 0.00 0.00 0.00 0.00 61.98 62.01 1qni s VAL 105 Cb 0.07 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 1qni s VAL 105 CO -0.07 0.23 -0.21 0.00 0.00 0.00 0.00 175.10 175.05 1qni s ALA 106 N 0.72 2.65 -0.02 5.51 0.00 0.04 -1.18 121.76 129.48 1qni s ALA 106 Ca -0.10 -1.67 0.07 0.00 0.00 0.00 0.00 51.96 50.25 1qni s ALA 106 Cb -0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 1qni s ALA 106 CO 0.01 0.40 -0.22 0.50 0.00 0.00 0.00 175.76 176.44 1qni s ARG 107 N -2.89 1.91 -0.06 0.00 3.52 0.56 -1.56 118.95 120.43 1qni s ARG 107 Ca 0.23 -0.80 0.05 0.00 -0.13 0.00 0.00 55.73 55.09 1qni s ARG 107 Cb -0.07 -1.80 -0.01 0.00 -1.56 0.00 0.00 34.95 31.51 1qni s ARG 107 CO 0.12 0.46 -0.23 0.42 -0.81 0.00 0.00 175.30 175.25 1qni s ILE 108 N -0.45 1.94 -0.39 4.11 1.01 0.17 0.73 121.20 128.32 1qni s ILE 108 Ca 0.06 -0.99 -0.27 0.00 0.00 0.00 0.00 60.65 59.45 1qni s ILE 108 Cb -0.09 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.74 1qni s ILE 108 CO -0.00 0.54 1.02 -0.13 0.00 0.00 0.00 174.94 176.36 1qni s ARG 109 N -0.03 3.85 0.23 2.79 0.52 0.69 -2.04 118.95 124.96 1qni s ARG 109 Ca -0.07 0.68 0.24 0.00 -0.52 0.00 0.00 55.73 56.06 1qni s ARG 109 Cb -0.14 -3.82 0.92 0.00 0.52 0.00 0.00 34.95 32.43 1qni s ARG 109 CO 0.04 -1.06 1.73 1.28 0.02 0.00 0.00 175.30 177.31 1qni n LEU 110 N 7.08 0.67 0.22 2.53 4.77 -1.14 0.51 117.00 131.63 1qni n LEU 110 Ca 0.09 0.63 0.10 0.00 -0.03 0.00 0.00 56.01 56.81 1qni n LEU 110 Cb 0.48 -0.49 0.37 0.00 -2.33 0.00 0.00 43.42 41.45 1qni n LEU 110 CO 0.62 -0.41 0.78 -2.24 -1.33 0.00 0.00 177.39 174.81 1qni h ASP 111 N 0.00 0.00 0.00 -1.43 2.03 -1.79 -3.33 116.42 111.90 1qni h ASP 111 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1qni h ASP 111 Cb 0.48 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.98 1qni h ASP 111 CO 0.00 0.19 0.00 2.30 -1.03 0.00 0.00 179.24 180.70 1qni n ILE 112 N -3.25 0.00 -3.34 4.15 -5.35 -1.17 -1.36 119.36 109.05 1qni n ILE 112 Ca 0.01 -0.14 -0.18 0.00 -0.27 0.00 0.00 62.75 62.18 1qni n ILE 112 Cb 0.48 1.51 0.06 0.00 -1.74 0.00 0.00 39.64 39.94 1qni n ILE 112 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 1qni n MET 113 N -0.08 -1.91 -3.84 6.28 2.81 0.18 -5.03 117.12 115.52 1qni n MET 113 Ca 0.00 0.83 -0.12 0.00 -1.81 0.00 0.00 57.70 56.60 1qni n MET 113 Cb 0.13 -5.38 -0.12 0.00 -0.71 0.00 0.00 33.22 27.14 1qni n MET 113 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1qni s LYS 114 N -4.63 0.26 0.14 0.03 -0.14 -0.93 -4.83 119.74 109.63 1qni s LYS 114 Ca 0.41 -0.01 -0.31 0.00 -1.36 0.00 0.00 55.97 54.70 1qni s LYS 114 Cb -0.08 0.12 -0.10 0.00 -1.68 0.00 0.00 37.83 36.08 1qni s LYS 114 CO 0.77 -0.05 1.74 0.99 -0.76 0.00 0.00 175.35 178.04 1qni s THR 115 N -0.41 2.51 -0.25 2.17 2.01 -1.26 -0.22 115.64 120.18 1qni s THR 115 Ca -0.05 0.17 -0.06 0.00 0.31 0.00 0.00 61.69 62.06 1qni s THR 115 Cb -0.03 -3.11 -0.16 0.00 0.01 0.00 0.00 72.50 69.21 1qni s THR 115 CO 0.01 0.00 -0.21 -0.67 -0.69 0.00 0.00 174.62 173.06 1qni n ASP 116 N 5.04 1.98 -3.96 3.53 2.03 0.22 -4.82 116.55 120.56 1qni n ASP 116 Ca 0.16 0.09 -0.11 0.00 0.52 0.00 0.00 54.79 55.46 1qni n ASP 116 Cb 0.38 -0.62 -0.12 0.00 -0.72 0.00 0.00 41.12 40.03 1qni n ASP 116 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1qni s LYS 117 N -2.51 0.28 -0.09 -0.67 -0.14 -0.92 -4.95 119.74 110.74 1qni s LYS 117 Ca -0.35 -0.45 -0.01 0.00 -1.36 0.00 0.00 55.97 53.80 1qni s LYS 117 Cb 0.11 -0.03 0.03 0.00 -1.68 0.00 0.00 37.83 36.26 1qni s LYS 117 CO 0.57 -0.01 -0.00 0.42 -0.76 0.00 0.00 175.35 175.57 1qni s ILE 118 N -0.96 0.44 -0.07 2.17 1.01 -1.25 -0.32 121.20 122.23 1qni s ILE 118 Ca -0.09 0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.63 1qni s ILE 118 Cb -0.07 -0.62 -0.00 0.00 0.01 0.00 0.00 42.46 41.78 1qni s ILE 118 CO -0.00 0.23 -0.20 -0.89 0.00 0.00 0.00 174.94 174.08 1qni s THR 119 N 1.94 1.66 -0.16 2.92 2.01 -0.32 -4.86 115.64 118.83 1qni s THR 119 Ca 0.05 -0.82 -0.19 0.00 0.31 0.00 0.00 61.69 61.03 1qni s THR 119 Cb -0.13 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 1qni s THR 119 CO -0.06 0.47 0.55 -1.00 -0.69 0.00 0.00 174.62 173.89 1qni s HIS 120 N 0.21 3.43 -0.19 4.92 0.09 -1.26 -1.14 115.29 121.35 1qni s HIS 120 Ca -0.10 0.89 -0.27 0.00 -0.00 0.00 0.00 55.06 55.57 1qni s HIS 120 Cb -0.15 -2.68 -0.00 0.00 -0.00 0.00 0.00 32.58 29.75 1qni s HIS 120 CO 0.05 -0.03 0.94 0.42 -0.00 0.00 0.00 174.74 176.12 1qni s ILE 121 N 1.34 4.78 0.60 0.60 -1.09 -1.06 -5.01 121.20 121.36 1qni s ILE 121 Ca 0.27 1.85 -0.14 0.00 -2.23 0.00 0.00 60.65 60.40 1qni s ILE 121 Cb -0.16 -4.23 -0.04 0.00 -1.58 0.00 0.00 42.46 36.45 1qni s ILE 121 CO 0.11 -0.06 1.03 -2.16 -1.23 0.00 0.00 174.94 172.62 1qni s PRO 122 N 2.58 3.48 -1.59 2.79 0.04 -1.26 -4.33 135.00 136.71 1qni s PRO 122 Ca 0.42 0.98 -0.07 0.00 0.04 0.00 0.00 61.00 62.37 1qni s PRO 122 Cb -0.16 -2.06 0.07 0.00 0.04 0.00 0.00 34.50 32.38 1qni s PRO 122 CO 0.11 -0.66 0.37 0.09 0.04 0.00 0.00 177.00 176.95 1qni n ASN 123 N -2.28 -0.69 -3.74 6.66 3.02 -1.26 -4.92 115.26 112.05 1qni n ASN 123 Ca 0.07 -1.14 -0.06 0.00 -0.03 0.00 0.00 54.58 53.43 1qni n ASN 123 Cb 0.54 -2.26 -0.02 0.00 -0.61 0.00 0.00 39.78 37.43 1qni n ASN 123 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1qni s VAL 124 N -3.87 0.00 0.01 2.41 0.11 -1.26 -4.83 120.40 112.96 1qni s VAL 124 Ca 0.28 -0.66 -0.03 0.00 -2.93 0.00 0.00 61.98 58.65 1qni s VAL 124 Cb -0.16 -1.83 -0.01 0.00 -1.53 0.00 0.00 36.38 32.85 1qni s VAL 124 CO 0.96 0.00 0.04 -1.10 -3.33 0.00 0.00 175.10 171.67 1qni s GLN 125 N -3.49 0.31 -0.37 1.54 -0.21 -1.26 -4.98 119.66 111.20 1qni s GLN 125 Ca 0.10 -0.40 -0.10 0.00 0.02 0.00 0.00 55.36 54.99 1qni s GLN 125 Cb -0.03 0.12 0.01 0.00 1.00 0.00 0.00 33.01 34.12 1qni s GLN 125 CO 0.02 -0.06 0.39 0.00 -2.12 0.00 0.00 175.29 173.51 1qni n ALA 126 N 1.88 -3.17 -2.52 6.09 0.00 -1.26 -3.26 120.51 118.27 1qni n ALA 126 Ca -0.21 0.92 -0.43 0.00 0.00 0.00 0.00 53.44 53.72 1qni n ALA 126 Cb 0.56 -2.77 -0.02 0.00 0.00 0.00 0.00 19.45 17.22 1qni n ALA 126 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1qni s ILE 127 N -2.22 4.09 0.00 0.00 -1.09 -1.22 -0.96 121.20 119.80 1qni s ILE 127 Ca 0.16 1.10 0.00 0.00 -2.23 0.00 0.00 60.65 59.68 1qni s ILE 127 Cb -0.05 -4.50 0.00 0.00 -1.58 0.00 0.00 42.46 36.34 1qni s ILE 127 CO 0.74 -0.97 0.00 1.57 -1.23 0.00 0.00 174.94 175.05 1qni n HIS 128 N 8.23 0.00 -1.97 3.97 -0.00 -0.25 -2.73 115.22 122.47 1qni n HIS 128 Ca 0.13 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.90 1qni n HIS 128 Cb 0.49 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.34 1qni n HIS 128 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1qni s GLY 129 N -1.14 2.76 -0.26 1.57 0.00 -0.53 -4.70 107.32 105.02 1qni s GLY 129 Ca 0.00 1.40 -0.15 0.00 0.00 0.00 0.00 44.72 45.98 1qni s GLY 129 CO 0.00 2.16 0.64 -2.27 0.00 0.00 0.00 173.10 173.63 1qni s LEU 130 N -1.48 -0.82 0.22 0.66 0.20 -1.26 -0.64 118.68 115.56 1qni s LEU 130 Ca 0.54 1.42 -0.15 0.00 0.69 0.00 0.00 54.13 56.62 1qni s LEU 130 Cb -0.43 2.21 0.01 0.00 -0.43 0.00 0.00 46.19 47.55 1qni s LEU 130 CO 0.54 -0.23 0.50 -0.13 -0.29 0.00 0.00 176.35 176.74 1qni s ARG 131 N 1.66 1.46 0.17 1.98 0.52 -0.77 -4.89 118.95 119.09 1qni s ARG 131 Ca -0.10 -1.06 0.07 0.00 -0.52 0.00 0.00 55.73 54.12 1qni s ARG 131 Cb -0.06 0.50 -0.04 0.00 0.52 0.00 0.00 34.95 35.87 1qni s ARG 131 CO -0.19 -0.61 0.02 -0.51 0.02 0.00 0.00 175.30 174.03 1qni s LEU 132 N -2.94 3.40 0.44 2.53 1.43 -1.26 -0.74 118.68 121.54 1qni s LEU 132 Ca 0.15 -0.35 -0.25 0.00 -1.03 0.00 0.00 54.13 52.66 1qni s LEU 132 Cb -0.01 -2.04 -0.08 0.00 0.03 0.00 0.00 46.19 44.09 1qni s LEU 132 CO 0.03 0.09 1.30 -1.58 0.23 0.00 0.00 176.35 176.42 1qni s GLN 133 N -2.96 3.77 -0.13 1.70 0.74 -0.90 -4.57 119.66 117.31 1qni s GLN 133 Ca 0.28 2.13 0.08 0.00 0.05 0.00 0.00 55.36 57.90 1qni s GLN 133 Cb -0.09 -2.60 -0.14 0.00 1.10 0.00 0.00 33.01 31.27 1qni s GLN 133 CO 0.19 -0.65 -0.01 1.63 -0.55 0.00 0.00 175.29 175.90 1qni n LYS 134 N -0.20 1.54 -4.33 1.67 5.02 -1.26 -3.59 118.16 117.02 1qni n LYS 134 Ca 0.06 0.02 -0.18 0.00 -2.02 0.00 0.00 58.31 56.18 1qni n LYS 134 Cb 0.44 -1.32 -0.15 0.00 -0.02 0.00 0.00 35.03 33.99 1qni n LYS 134 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1qni s VAL 135 N -2.30 0.66 0.35 -0.18 1.01 -1.26 -0.69 120.40 117.99 1qni s VAL 135 Ca -0.10 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.60 1qni s VAL 135 Cb 0.04 -0.57 0.15 0.00 0.00 0.00 0.00 36.38 36.00 1qni s VAL 135 CO 0.46 0.20 1.87 -0.65 0.00 0.00 0.00 175.10 176.98 1qni h PRO 136 N 6.09 0.43 0.00 2.72 0.11 -1.95 -3.06 132.00 136.35 1qni h PRO 136 Ca -0.31 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1qni h PRO 136 Cb 1.18 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.24 1qni h PRO 136 CO 0.49 0.51 0.17 0.36 -0.21 0.00 0.00 178.00 179.33 1qni n LYS 137 N -4.26 0.69 -2.75 1.05 2.85 -1.24 0.14 118.16 114.63 1qni n LYS 137 Ca 0.01 -1.35 -0.42 0.00 -1.05 0.00 0.00 58.31 55.50 1qni n LYS 137 Cb 0.27 1.68 -0.03 0.00 -0.65 0.00 0.00 35.03 36.30 1qni n LYS 137 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1qni s THR 138 N -2.45 4.30 -0.09 0.58 2.01 -0.25 -4.27 115.64 115.48 1qni s THR 138 Ca 0.10 -1.03 0.16 0.00 0.31 0.00 0.00 61.69 61.22 1qni s THR 138 Cb -0.03 -4.90 -0.24 0.00 0.01 0.00 0.00 72.50 67.34 1qni s THR 138 CO 0.07 -1.71 0.23 0.59 -0.69 0.00 0.00 174.62 173.12 1qni n ASN 139 N 7.78 1.03 -4.38 3.53 5.03 -1.26 -4.66 115.26 122.33 1qni n ASN 139 Ca 0.25 0.00 -0.30 0.00 0.87 0.00 0.00 54.58 55.39 1qni n ASN 139 Cb 0.50 1.38 -0.14 0.00 -1.02 0.00 0.00 39.78 40.50 1qni n ASN 139 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1qni s TYR 140 N -2.83 2.40 -0.22 3.10 2.02 -1.26 -1.48 117.35 119.08 1qni s TYR 140 Ca -0.07 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.28 1qni s TYR 140 Cb 0.08 -1.42 0.04 0.00 -0.40 0.00 0.00 41.96 40.27 1qni s TYR 140 CO 0.69 0.16 -0.13 0.08 -1.57 0.00 0.00 175.55 174.79 1qni s VAL 141 N -0.84 1.94 -0.18 0.71 1.01 0.65 -2.11 120.40 121.59 1qni s VAL 141 Ca 0.13 -1.25 -0.20 0.00 0.00 0.00 0.00 61.98 60.65 1qni s VAL 141 Cb -0.10 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1qni s VAL 141 CO 0.03 0.17 0.60 -0.36 0.00 0.00 0.00 175.10 175.53 1qni s PHE 142 N 1.25 3.41 -0.02 5.22 0.08 0.08 -0.55 117.98 127.46 1qni s PHE 142 Ca -0.03 0.92 0.07 0.00 0.12 0.00 0.00 56.93 58.02 1qni s PHE 142 Cb -0.17 -2.75 -0.02 0.00 -0.57 0.00 0.00 43.02 39.52 1qni s PHE 142 CO -0.08 -0.09 -0.24 0.00 -0.10 0.00 0.00 175.22 174.71 1qni s ASN 144 N -0.55 4.76 -0.29 0.00 0.02 0.18 -0.85 114.94 118.21 1qni s ASN 144 Ca 0.09 -0.01 -0.08 0.00 -1.02 0.00 0.00 52.86 51.84 1qni s ASN 144 Cb -0.09 -1.21 -0.00 0.00 0.02 0.00 0.00 41.25 39.96 1qni s ASN 144 CO -0.01 0.35 0.10 0.00 0.02 0.00 0.00 177.10 177.56 1qni s ALA 145 N -0.86 3.14 0.18 0.60 0.00 -1.22 -1.09 121.76 122.51 1qni s ALA 145 Ca 0.14 -1.37 -0.02 0.00 0.00 0.00 0.00 51.96 50.71 1qni s ALA 145 Cb -0.11 -2.20 0.07 0.00 0.00 0.00 0.00 23.12 20.88 1qni s ALA 145 CO 0.03 -0.83 1.45 1.49 0.00 0.00 0.00 175.76 177.90 1qni h GLU 146 N 8.27 0.44 -5.21 0.00 4.81 -1.03 -3.27 114.58 118.59 1qni h GLU 146 Ca -0.33 -0.34 -0.63 0.00 -0.13 0.00 0.00 59.36 57.93 1qni h GLU 146 Cb 1.14 0.06 -0.20 0.00 0.63 0.00 0.00 28.75 30.39 1qni h GLU 146 CO 0.60 0.97 -0.62 -0.06 -0.73 0.00 0.00 179.01 179.17 1qni s PHE 147 N -3.70 3.12 0.13 0.92 0.08 -1.22 -4.39 117.98 112.91 1qni s PHE 147 Ca -0.06 -0.20 -0.30 0.00 0.12 0.00 0.00 56.93 56.49 1qni s PHE 147 Cb 0.11 -2.06 -0.06 0.00 -0.57 0.00 0.00 43.02 40.43 1qni s PHE 147 CO 0.84 -0.04 1.02 0.14 -0.10 0.00 0.00 175.22 177.08 1qni s VAL 148 N 0.65 4.24 0.12 -0.44 -7.23 -1.26 -4.25 120.40 112.23 1qni s VAL 148 Ca 0.01 1.88 0.00 0.00 -1.81 0.00 0.00 61.98 62.06 1qni s VAL 148 Cb -0.14 -4.20 -0.04 0.00 0.56 0.00 0.00 36.38 32.56 1qni s VAL 148 CO 0.02 0.29 0.00 0.27 -0.31 0.00 0.00 175.10 175.38 1qni s ILE 149 N -0.05 0.38 0.74 -0.62 -4.36 0.69 -4.61 121.20 113.36 1qni s ILE 149 Ca 0.48 -1.91 -0.14 0.00 -0.26 0.00 0.00 60.65 58.83 1qni s ILE 149 Cb -0.26 -1.88 0.04 0.00 1.25 0.00 0.00 42.46 41.61 1qni s ILE 149 CO 0.32 -0.66 1.16 -2.16 0.24 0.00 0.00 174.94 173.83 1qni s PRO 150 N -3.95 2.19 -0.25 0.37 0.04 -1.26 -0.54 135.00 131.59 1qni s PRO 150 Ca 0.18 1.56 0.01 0.00 0.04 0.00 0.00 61.00 62.79 1qni s PRO 150 Cb 0.07 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.82 1qni s PRO 150 CO -0.02 -1.75 -0.03 -0.65 0.04 0.00 0.00 177.00 174.59 1qni s GLN 151 N -4.17 1.57 0.55 4.56 -0.21 -1.26 -1.45 119.66 119.25 1qni s GLN 151 Ca 0.70 -1.11 -0.10 0.00 0.02 0.00 0.00 55.36 54.86 1qni s GLN 151 Cb -0.24 -2.62 -0.05 0.00 1.00 0.00 0.00 33.01 31.09 1qni s GLN 151 CO 0.47 -0.67 0.94 -1.25 -2.12 0.00 0.00 175.29 172.66 1qni s PRO 152 N 1.34 3.65 -1.25 2.91 0.04 -1.26 -5.03 135.00 135.40 1qni s PRO 152 Ca -0.03 0.61 -0.13 0.00 0.04 0.00 0.00 61.00 61.49 1qni s PRO 152 Cb -0.19 -2.19 0.15 0.00 0.04 0.00 0.00 34.50 32.31 1qni s PRO 152 CO -0.08 -0.38 1.61 -1.71 0.04 0.00 0.00 177.00 176.48 1qni n ASN 153 N -2.32 5.11 -0.55 6.66 5.15 -0.53 -4.66 115.26 124.12 1qni n ASN 153 Ca 0.04 -3.00 0.05 0.00 -0.60 0.00 0.00 54.58 51.08 1qni n ASN 153 Cb 0.54 -1.57 0.11 0.00 -0.53 0.00 0.00 39.78 38.33 1qni n ASN 153 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1qni n ASP 154 N 5.51 2.51 -0.17 1.20 5.68 -1.26 -5.00 116.55 125.03 1qni n ASP 154 Ca 0.40 -1.79 -0.01 0.00 -0.50 0.00 0.00 54.79 52.89 1qni n ASP 154 Cb 0.41 -0.14 -0.00 0.00 -1.14 0.00 0.00 41.12 40.25 1qni n ASP 154 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qni n GLY 155 N 0.54 0.38 0.07 6.12 0.00 -1.26 -4.94 105.19 106.10 1qni n GLY 155 Ca 0.09 -0.83 0.05 0.00 0.00 0.00 0.00 46.02 45.33 1qni n GLY 155 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qni n THR 156 N -3.87 0.00 -3.15 2.61 -2.24 -1.26 -4.90 114.28 101.47 1qni n THR 156 Ca -0.01 -0.31 0.04 0.00 -2.27 0.00 0.00 64.05 61.50 1qni n THR 156 Cb 0.51 1.04 -0.00 0.00 -2.10 0.00 0.00 70.33 69.77 1qni n THR 156 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qni s ASP 157 N -1.72 -1.49 0.00 3.42 2.15 -1.26 -5.02 116.67 112.75 1qni s ASP 157 Ca 0.05 0.36 0.27 0.00 0.43 0.00 0.00 52.55 53.66 1qni s ASP 157 Cb 0.07 2.02 0.82 0.00 -0.30 0.00 0.00 42.92 45.53 1qni s ASP 157 CO 0.34 -0.27 1.61 0.49 -0.17 0.00 0.00 175.17 177.17 1qni n PHE 158 N 5.41 0.00 -1.57 -5.34 3.72 -1.26 -4.68 117.46 113.73 1qni n PHE 158 Ca 0.03 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.98 1qni n PHE 158 Cb 0.53 -0.18 -0.02 0.00 -0.94 0.00 0.00 39.48 38.88 1qni n PHE 158 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1qni n SER 159 N -0.93 1.09 0.17 4.37 3.41 -1.26 -4.85 113.62 115.63 1qni n SER 159 Ca 0.11 1.17 0.13 0.00 -0.26 0.00 0.00 58.87 60.02 1qni n SER 159 Cb 0.33 -1.26 0.36 0.00 -0.26 0.00 0.00 64.21 63.38 1qni n SER 159 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1qni h LEU 160 N 1.99 0.00 -1.30 1.04 3.38 -1.92 -3.17 115.31 115.32 1qni h LEU 160 Ca -0.39 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.61 1qni h LEU 160 Cb 1.35 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 1qni h LEU 160 CO 0.61 0.00 0.49 0.44 0.09 0.00 0.00 178.44 180.07 1qni h ASP 161 N 0.00 0.79 -0.30 -0.43 5.19 -1.89 -2.30 116.42 117.48 1qni h ASP 161 Ca 0.00 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.36 1qni h ASP 161 Cb 0.77 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 1qni h ASP 161 CO 0.00 0.55 0.01 0.59 -3.12 0.00 0.00 179.24 177.26 1qni n ASN 162 N -4.45 3.75 -4.67 6.45 3.02 -1.20 -4.97 115.26 113.19 1qni n ASN 162 Ca 0.09 -3.14 -0.37 0.00 -0.03 0.00 0.00 54.58 51.14 1qni n ASN 162 Cb 0.11 -0.57 -0.09 0.00 -0.61 0.00 0.00 39.78 38.62 1qni n ASN 162 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1qni s SER 163 N -1.97 6.25 0.34 6.41 0.01 -0.87 -4.05 113.70 119.82 1qni s SER 163 Ca 0.43 0.27 0.05 0.00 1.31 0.00 0.00 55.95 58.01 1qni s SER 163 Cb 0.36 -2.15 -0.03 0.00 0.21 0.00 0.00 66.02 64.40 1qni s SER 163 CO 0.08 0.02 0.19 -0.31 0.41 0.00 0.00 173.24 173.64 1qni s TYR 164 N 1.09 1.69 0.33 2.43 1.51 0.30 -4.58 117.35 120.11 1qni s TYR 164 Ca 0.12 -1.46 0.04 0.00 -1.01 0.00 0.00 57.07 54.76 1qni s TYR 164 Cb -0.14 -0.87 -0.03 0.00 -0.11 0.00 0.00 41.96 40.81 1qni s TYR 164 CO 0.05 -0.60 0.17 -0.08 -1.11 0.00 0.00 175.55 173.98 1qni s THR 165 N -3.47 0.36 0.07 -0.71 -1.32 -1.26 -0.23 115.64 109.09 1qni s THR 165 Ca 0.34 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 58.81 1qni s THR 165 Cb 0.03 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.50 1qni s THR 165 CO 0.20 0.00 -0.00 -0.04 -2.21 0.00 0.00 174.62 172.57 1qni s MET 166 N -3.75 0.70 -0.21 7.08 -1.94 -1.26 -2.87 119.30 117.05 1qni s MET 166 Ca 0.34 -1.27 -0.09 0.00 -1.71 0.00 0.00 55.69 52.96 1qni s MET 166 Cb 0.04 0.22 -0.04 0.00 2.01 0.00 0.00 34.83 37.06 1qni s MET 166 CO 0.18 -0.15 0.11 0.12 -0.01 0.00 0.00 175.02 175.27 1qni s PHE 167 N -3.95 3.29 0.09 -0.03 5.36 0.10 -3.37 117.98 119.46 1qni s PHE 167 Ca 0.12 0.13 0.06 0.00 -0.96 0.00 0.00 56.93 56.28 1qni s PHE 167 Cb 0.08 -2.18 -0.04 0.00 -0.34 0.00 0.00 43.02 40.54 1qni s PHE 167 CO -0.07 0.10 -0.08 0.99 -1.46 0.00 0.00 175.22 174.70 1qni s THR 168 N 0.74 3.48 -0.10 0.12 2.01 -0.03 -0.27 115.64 121.59 1qni s THR 168 Ca 0.06 -1.17 0.01 0.00 0.31 0.00 0.00 61.69 60.90 1qni s THR 168 Cb -0.13 -2.62 0.02 0.00 0.01 0.00 0.00 72.50 69.78 1qni s THR 168 CO 0.02 0.15 -0.10 0.00 -0.69 0.00 0.00 174.62 173.99 1qni s ALA 169 N -1.20 1.35 -0.04 7.40 0.00 -0.73 -0.29 121.76 128.25 1qni s ALA 169 Ca 0.21 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1qni s ALA 169 Cb -0.11 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 1qni s ALA 169 CO 0.13 -0.18 -0.06 0.42 0.00 0.00 0.00 175.76 176.08 1qni s ILE 170 N 1.22 3.72 -0.43 0.00 1.01 0.29 -0.47 121.20 126.54 1qni s ILE 170 Ca -0.04 -0.58 -0.29 0.00 0.00 0.00 0.00 60.65 59.75 1qni s ILE 170 Cb -0.14 -2.56 0.02 0.00 0.01 0.00 0.00 42.46 39.78 1qni s ILE 170 CO -0.03 0.52 1.30 -0.62 0.00 0.00 0.00 174.94 176.11 1qni s ASP 171 N -1.05 6.47 0.40 3.58 2.15 -0.62 -0.25 116.67 127.34 1qni s ASP 171 Ca 0.14 0.72 0.16 0.00 0.43 0.00 0.00 52.55 54.00 1qni s ASP 171 Cb -0.11 -2.54 1.03 0.00 -0.30 0.00 0.00 42.92 41.00 1qni s ASP 171 CO 0.04 -1.34 1.84 0.00 -0.17 0.00 0.00 175.17 175.54 1qni h ALA 172 N 10.04 2.13 0.00 3.66 0.00 -1.53 0.98 119.26 134.55 1qni h ALA 172 Ca -0.26 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1qni h ALA 172 Cb 1.09 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1qni h ALA 172 CO 1.10 -0.44 -0.57 0.93 0.00 0.00 0.00 179.25 180.27 1qni h GLU 173 N 0.46 0.00 0.00 0.00 4.39 -1.85 -3.35 114.58 114.23 1qni h GLU 173 Ca 0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.19 1qni h GLU 173 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1qni h GLU 173 CO -0.21 0.53 -1.25 2.41 -1.16 0.00 0.00 179.01 179.33 1qni n THR 174 N -3.22 0.00 -2.05 1.13 -1.04 -0.93 -4.99 114.28 103.17 1qni n THR 174 Ca 0.01 -0.22 -0.19 0.00 -2.04 0.00 0.00 64.05 61.61 1qni n THR 174 Cb 0.75 0.41 -0.04 0.00 -1.82 0.00 0.00 70.33 69.64 1qni n THR 174 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1qni n MET 175 N -1.72 -1.41 -4.22 -2.82 2.81 0.33 -4.99 117.12 105.11 1qni n MET 175 Ca -0.01 1.00 -0.33 0.00 -1.81 0.00 0.00 57.70 56.54 1qni n MET 175 Cb 0.22 -5.44 -0.08 0.00 -0.71 0.00 0.00 33.22 27.22 1qni n MET 175 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1qni s ASP 176 N -2.40 5.41 0.13 7.83 1.01 -1.24 -4.75 116.67 122.65 1qni s ASP 176 Ca 0.00 0.11 -0.31 0.00 0.71 0.00 0.00 52.55 53.06 1qni s ASP 176 Cb 0.00 -1.51 -0.10 0.00 1.01 0.00 0.00 42.92 42.32 1qni s ASP 176 CO 0.00 0.31 1.68 -0.69 0.21 0.00 0.00 175.17 176.67 1qni s VAL 177 N -1.07 2.68 -0.13 -1.27 1.01 -1.26 -1.60 120.40 118.76 1qni s VAL 177 Ca 0.19 0.32 -0.14 0.00 0.00 0.00 0.00 61.98 62.34 1qni s VAL 177 Cb -0.12 -3.21 -0.12 0.00 0.00 0.00 0.00 36.38 32.93 1qni s VAL 177 CO 0.09 0.01 0.30 0.00 0.00 0.00 0.00 175.10 175.50 1qni h ALA 178 N 7.76 0.03 -2.61 5.51 0.00 -1.10 -3.46 119.26 125.39 1qni h ALA 178 Ca -0.43 -0.38 0.09 0.00 0.00 0.00 0.00 54.91 54.19 1qni h ALA 178 Cb 1.21 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 19.03 1qni h ALA 178 CO 0.93 0.13 0.37 1.67 0.00 0.00 0.00 179.25 182.36 1qni s TRP 179 N -1.97 -0.29 -0.01 0.00 1.48 -1.15 -4.17 118.94 112.83 1qni s TRP 179 Ca -0.12 0.01 0.03 0.00 -1.06 0.00 0.00 56.10 54.96 1qni s TRP 179 Cb -0.00 0.61 -0.00 0.00 -1.16 0.00 0.00 33.47 32.92 1qni s TRP 179 CO 0.35 -0.85 -0.09 -0.65 -4.06 0.00 0.00 176.95 171.66 1qni s GLN 180 N -3.48 0.75 -0.19 3.25 -0.21 0.11 -1.78 119.66 118.11 1qni s GLN 180 Ca 0.08 -0.30 -0.02 0.00 0.02 0.00 0.00 55.36 55.14 1qni s GLN 180 Cb -0.02 -0.73 -0.00 0.00 1.00 0.00 0.00 33.01 33.26 1qni s GLN 180 CO -0.03 0.16 -0.09 0.08 -2.12 0.00 0.00 175.29 173.29 1qni s VAL 181 N -0.08 3.06 0.24 1.09 1.01 0.62 -1.41 120.40 124.93 1qni s VAL 181 Ca 0.01 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 1qni s VAL 181 Cb -0.05 -2.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.89 1qni s VAL 181 CO -0.00 0.47 1.06 -0.63 0.00 0.00 0.00 175.10 176.00 1qni s ILE 182 N 1.16 3.74 0.31 2.22 1.01 -0.51 0.02 121.20 129.15 1qni s ILE 182 Ca 0.02 1.67 0.03 0.00 0.00 0.00 0.00 60.65 62.36 1qni s ILE 182 Cb -0.14 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 1qni s ILE 182 CO -0.03 0.36 0.12 0.68 0.00 0.00 0.00 174.94 176.08 1qni s VAL 183 N -0.87 0.54 0.49 2.92 -7.23 -1.14 -0.54 120.40 114.57 1qni s VAL 183 Ca 0.45 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.63 1qni s VAL 183 Cb -0.30 -2.56 0.01 0.00 0.56 0.00 0.00 36.38 34.09 1qni s VAL 183 CO 0.37 0.00 0.71 -1.81 -0.31 0.00 0.00 175.10 174.06 1qni s ASP 184 N -3.40 5.60 1.31 4.85 1.01 -1.26 -4.43 116.67 120.35 1qni s ASP 184 Ca 0.35 0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.75 1qni s ASP 184 Cb 0.06 -1.24 0.00 0.00 1.01 0.00 0.00 42.92 42.75 1qni s ASP 184 CO 0.16 -0.88 0.00 0.61 0.21 0.00 0.00 175.17 175.27 1qni n GLY 185 N -2.18 3.13 0.00 0.21 0.00 -1.26 -4.85 105.19 100.24 1qni n GLY 185 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1qni n GLY 185 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qni n ASN 186 N 2.70 0.00 -3.90 1.61 2.04 -1.25 -4.54 115.26 111.92 1qni n ASN 186 Ca 0.00 -0.80 -0.20 0.00 -0.44 0.00 0.00 54.58 53.14 1qni n ASN 186 Cb 0.00 0.00 -0.16 0.00 -2.53 0.00 0.00 39.78 37.09 1qni n ASN 186 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1qni s LEU 187 N 0.00 1.34 0.00 -4.53 1.43 -1.23 -4.45 118.68 111.24 1qni s LEU 187 Ca 0.00 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1qni s LEU 187 Cb 0.00 -0.46 0.00 0.00 0.03 0.00 0.00 46.19 45.76 1qni s LEU 187 CO 0.00 -0.05 0.00 -0.67 0.23 0.00 0.00 176.35 175.86 1qni n ASP 188 N 4.04 0.00 -4.68 2.29 -0.08 0.44 -3.69 116.55 114.87 1qni n ASP 188 Ca -0.25 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 52.79 1qni n ASP 188 Cb 0.51 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.89 1qni n ASP 188 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 1qni s ASN 189 N -0.65 4.42 0.19 1.67 -0.87 -1.25 -1.46 114.94 116.99 1qni s ASN 189 Ca 0.00 -0.90 -0.05 0.00 -1.57 0.00 0.00 52.86 50.34 1qni s ASN 189 Cb 0.00 -0.62 -0.03 0.00 -0.02 0.00 0.00 41.25 40.59 1qni s ASN 189 CO 0.00 -0.29 0.20 0.28 -2.57 0.00 0.00 177.10 174.73 1qni s THR 190 N -2.48 0.03 0.02 1.60 -1.32 -1.26 -0.93 115.64 111.30 1qni s THR 190 Ca 0.36 -1.77 -0.28 0.00 -1.21 0.00 0.00 61.69 58.79 1qni s THR 190 Cb -0.01 -2.23 0.10 0.00 -1.51 0.00 0.00 72.50 68.85 1qni s THR 190 CO 0.21 -0.15 0.94 -0.62 -2.21 0.00 0.00 174.62 172.78 1qni s ASP 191 N -3.08 -0.30 0.36 8.08 -1.08 -0.42 -4.59 116.67 115.64 1qni s ASP 191 Ca 0.29 -0.10 0.07 0.00 -0.52 0.00 0.00 52.55 52.29 1qni s ASP 191 Cb 0.05 0.39 -0.07 0.00 -1.46 0.00 0.00 42.92 41.83 1qni s ASP 191 CO 0.07 -0.65 -0.01 0.00 0.52 0.00 0.00 175.17 175.10 1qni s ALA 192 N -3.09 2.80 0.61 3.66 0.00 -1.26 -0.83 121.76 123.65 1qni s ALA 192 Ca 0.07 -2.14 -0.01 0.00 0.00 0.00 0.00 51.96 49.88 1qni s ALA 192 Cb -0.01 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.38 1qni s ALA 192 CO -0.06 -0.12 0.12 -0.40 0.00 0.00 0.00 175.76 175.30 1qni n ASP 193 N -0.80 0.10 -2.02 0.00 5.68 -0.94 -4.79 116.55 113.78 1qni n ASP 193 Ca -0.04 -1.10 -0.25 0.00 -0.50 0.00 0.00 54.79 52.90 1qni n ASP 193 Cb 0.66 -0.09 0.11 0.00 -1.14 0.00 0.00 41.12 40.66 1qni n ASP 193 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1qni n TYR 194 N -1.76 2.69 0.00 2.11 4.02 -1.26 -4.18 117.16 118.78 1qni n TYR 194 Ca 0.02 -2.37 0.00 0.00 -0.01 0.00 0.00 57.90 55.53 1qni n TYR 194 Cb 0.07 -0.95 0.00 0.00 -0.02 0.00 0.00 39.34 38.43 1qni n TYR 194 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1qni n THR 195 N -0.96 0.00 0.00 -0.72 -2.24 -1.26 -4.71 114.28 104.38 1qni n THR 195 Ca 0.53 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.31 1qni n THR 195 Cb 0.99 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 1qni n THR 195 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qni n GLY 196 N 2.32 0.95 0.09 3.38 0.00 -1.16 -4.27 105.19 106.51 1qni n GLY 196 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1qni n GLY 196 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1qni n LYS 197 N -1.95 0.98 -4.50 1.61 4.81 -1.26 -4.59 118.16 113.26 1qni n LYS 197 Ca 0.00 0.01 -0.28 0.00 -0.87 0.00 0.00 58.31 57.16 1qni n LYS 197 Cb 0.00 -1.47 -0.13 0.00 0.02 0.00 0.00 35.03 33.45 1qni n LYS 197 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1qni s TYR 198 N -2.44 2.21 -0.13 5.64 2.02 -1.26 -0.52 117.35 122.87 1qni s TYR 198 Ca -0.12 -0.39 -0.08 0.00 -0.37 0.00 0.00 57.07 56.11 1qni s TYR 198 Cb 0.06 -1.23 0.05 0.00 -0.40 0.00 0.00 41.96 40.43 1qni s TYR 198 CO 0.72 0.26 0.32 0.00 -1.57 0.00 0.00 175.55 175.28 1qni s ALA 199 N -1.00 -0.79 0.12 3.71 0.00 -1.04 -2.21 121.76 120.55 1qni s ALA 199 Ca 0.12 1.14 0.06 0.00 0.00 0.00 0.00 51.96 53.28 1qni s ALA 199 Cb -0.10 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1qni s ALA 199 CO 0.05 -0.21 -0.14 0.95 0.00 0.00 0.00 175.76 176.41 1qni s THR 200 N 0.98 1.31 0.07 0.00 -4.23 -0.01 -0.10 115.64 113.65 1qni s THR 200 Ca -0.07 -1.67 0.02 0.00 -1.18 0.00 0.00 61.69 58.79 1qni s THR 200 Cb -0.07 -1.49 -0.03 0.00 1.34 0.00 0.00 72.50 72.25 1qni s THR 200 CO -0.07 -0.39 -0.07 -0.44 -0.54 0.00 0.00 174.62 173.10 1qni s SER 201 N -2.37 0.96 0.40 3.99 0.01 -0.53 -1.30 113.70 114.86 1qni s SER 201 Ca 0.08 -0.76 0.01 0.00 1.31 0.00 0.00 55.95 56.59 1qni s SER 201 Cb -0.05 0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.23 1qni s SER 201 CO 0.03 -0.33 0.60 0.42 0.41 0.00 0.00 173.24 174.37 1qni s THR 202 N -2.41 4.38 -0.01 1.44 -4.23 -0.11 -0.55 115.64 114.16 1qni s THR 202 Ca -0.00 -0.56 0.01 0.00 -1.18 0.00 0.00 61.69 59.96 1qni s THR 202 Cb -0.03 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1qni s THR 202 CO -0.02 -0.38 -0.01 0.00 -0.54 0.00 0.00 174.62 173.66 1qni n TYR 204 N 3.21 0.00 -2.43 0.00 0.18 -1.26 -3.73 117.16 113.13 1qni n TYR 204 Ca -0.15 0.00 -0.27 0.00 1.88 0.00 0.00 57.90 59.36 1qni n TYR 204 Cb 0.58 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.54 1qni n TYR 204 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 1qni n ASN 205 N -0.83 4.83 0.24 9.48 2.85 -1.26 -4.60 115.26 125.97 1qni n ASN 205 Ca 0.00 -3.73 0.15 0.00 -0.11 0.00 0.00 54.58 50.90 1qni n ASN 205 Cb 0.00 -0.48 0.82 0.00 1.24 0.00 0.00 39.78 41.37 1qni n ASN 205 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1qni h SER 206 N 2.57 0.00 0.39 1.20 4.64 -1.88 0.38 113.55 120.85 1qni h SER 206 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1qni h SER 206 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1qni h SER 206 CO 0.87 0.00 -0.22 -0.62 -0.87 0.00 0.00 176.83 175.99 1qni n GLU 207 N -2.60 0.57 -4.09 4.77 4.71 -1.26 -4.33 120.64 118.41 1qni n GLU 207 Ca -0.02 -0.27 -0.32 0.00 -0.01 0.00 0.00 57.16 56.55 1qni n GLU 207 Cb 0.11 -1.49 -0.04 0.00 -1.01 0.00 0.00 31.44 29.01 1qni n GLU 207 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1qni n ARG 208 N -0.98 -1.66 -4.51 3.49 1.74 0.13 -4.97 116.66 109.90 1qni n ARG 208 Ca 0.12 0.23 -0.25 0.00 -0.77 0.00 0.00 57.85 57.18 1qni n ARG 208 Cb 0.32 -3.78 -0.10 0.00 -1.02 0.00 0.00 32.46 27.87 1qni n ARG 208 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qni s ALA 209 N -4.00 2.82 -0.22 7.54 0.00 -1.26 -4.87 121.76 121.76 1qni s ALA 209 Ca 0.13 -2.01 0.03 0.00 0.00 0.00 0.00 51.96 50.12 1qni s ALA 209 Cb -0.06 -0.08 -0.16 0.00 0.00 0.00 0.00 23.12 22.82 1qni s ALA 209 CO 0.94 0.11 -0.17 1.55 0.00 0.00 0.00 175.76 178.20 1qni n VAL 210 N -0.72 1.29 -2.30 0.00 3.14 -1.26 -4.71 118.33 113.77 1qni n VAL 210 Ca -0.05 -0.53 -0.37 0.00 -2.96 0.00 0.00 64.34 60.42 1qni n VAL 210 Cb 0.63 -1.21 -0.02 0.00 -1.06 0.00 0.00 33.84 32.18 1qni n VAL 210 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 1qni s ASP 211 N -6.07 6.37 0.17 6.55 -4.77 -1.26 -4.92 116.67 112.74 1qni s ASP 211 Ca -0.28 2.30 -0.21 0.00 -3.30 0.00 0.00 52.55 51.06 1qni s ASP 211 Cb 0.08 -2.61 0.09 0.00 -1.09 0.00 0.00 42.92 39.39 1qni s ASP 211 CO 0.55 -0.78 1.60 0.25 0.70 0.00 0.00 175.17 177.49 1qni h LEU 212 N 2.33 -1.01 -0.59 2.11 6.46 -2.00 -2.07 115.31 120.54 1qni h LEU 212 Ca -0.49 0.19 0.10 0.00 -0.12 0.00 0.00 57.88 57.56 1qni h LEU 212 Cb 1.24 0.49 -0.08 0.00 -0.73 0.00 0.00 40.66 41.58 1qni h LEU 212 CO 0.61 -0.30 0.18 0.00 -0.62 0.00 0.00 178.44 178.31 1qni h ALA 213 N 0.91 0.73 -0.22 1.25 0.00 -1.98 -1.85 119.26 118.09 1qni h ALA 213 Ca 0.19 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1qni h ALA 213 Cb 0.52 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1qni h ALA 213 CO -0.56 -0.25 0.14 0.78 0.00 0.00 0.00 179.25 179.36 1qni h GLY 214 N 0.33 0.30 2.00 0.00 0.00 -1.76 -1.43 103.07 102.51 1qni h GLY 214 Ca 0.30 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1qni h GLY 214 CO -0.34 0.11 0.00 -1.30 0.00 0.00 0.00 176.54 175.01 1qni n THR 215 N -4.50 0.46 0.53 4.70 -2.24 -0.71 -3.25 114.28 109.27 1qni n THR 215 Ca 0.00 -0.19 0.07 0.00 -2.27 0.00 0.00 64.05 61.66 1qni n THR 215 Cb 0.07 -0.59 0.06 0.00 -2.10 0.00 0.00 70.33 67.77 1qni n THR 215 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1qni n MET 216 N -2.07 0.89 0.00 -0.78 2.00 -0.62 -4.67 117.12 111.87 1qni n MET 216 Ca 0.06 -1.31 0.00 0.00 0.00 0.00 0.00 57.70 56.45 1qni n MET 216 Cb 0.40 -1.26 0.00 0.00 0.00 0.00 0.00 33.22 32.36 1qni n MET 216 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1qni n ARG 217 N 0.74 0.00 -1.75 0.03 0.63 -0.69 -4.64 116.66 110.99 1qni n ARG 217 Ca 0.08 0.68 -0.42 0.00 -0.92 0.00 0.00 57.85 57.27 1qni n ARG 217 Cb 0.33 -1.37 -0.01 0.00 0.45 0.00 0.00 32.46 31.87 1qni n ARG 217 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1qni n ASN 218 N -2.14 3.66 0.23 6.15 3.02 -1.26 -4.86 115.26 120.05 1qni n ASN 218 Ca 0.00 1.19 0.15 0.00 -0.03 0.00 0.00 54.58 55.89 1qni n ASN 218 Cb 0.00 -1.58 0.64 0.00 -0.61 0.00 0.00 39.78 38.22 1qni n ASN 218 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1qni h ASP 219 N 3.81 0.00 -3.71 6.41 3.32 -1.97 -3.43 116.42 120.84 1qni h ASP 219 Ca -0.48 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.36 1qni h ASP 219 Cb 1.24 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.51 1qni h ASP 219 CO 0.71 0.00 -0.58 -0.13 -1.72 0.00 0.00 179.24 177.52 1qni s ARG 220 N -3.56 0.13 0.00 3.56 0.52 -1.26 -2.04 118.95 116.30 1qni s ARG 220 Ca 0.02 0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 1qni s ARG 220 Cb 0.09 0.02 0.00 0.00 0.52 0.00 0.00 34.95 35.58 1qni s ARG 220 CO 0.48 -0.05 0.00 -0.25 0.02 0.00 0.00 175.30 175.50 1qni n ASP 221 N 3.25 0.00 -2.37 0.23 8.00 0.12 -4.81 116.55 120.98 1qni n ASP 221 Ca -0.15 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.34 1qni n ASP 221 Cb 0.58 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.69 1qni n ASP 221 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 1qni n TRP 222 N 0.00 -0.83 -3.76 1.24 2.14 -1.26 -1.17 117.44 113.80 1qni n TRP 222 Ca 0.00 -0.64 -0.28 0.00 2.07 0.00 0.00 57.50 58.65 1qni n TRP 222 Cb 0.00 0.31 -0.16 0.00 -0.81 0.00 0.00 31.31 30.65 1qni n TRP 222 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 1qni s VAL 223 N -2.23 0.67 0.01 -1.67 1.01 -0.87 -1.86 120.40 115.45 1qni s VAL 223 Ca 0.14 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 1qni s VAL 223 Cb -0.01 -1.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1qni s VAL 223 CO 0.02 -0.25 1.14 -0.69 0.00 0.00 0.00 175.10 175.32 1qni s VAL 224 N 1.78 4.32 -0.24 2.92 1.01 0.29 -2.63 120.40 127.85 1qni s VAL 224 Ca -0.00 1.66 -0.06 0.00 0.00 0.00 0.00 61.98 63.58 1qni s VAL 224 Cb -0.17 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 1qni s VAL 224 CO -0.10 0.09 0.03 -0.69 0.00 0.00 0.00 175.10 174.43 1qni s VAL 225 N 1.41 3.95 -0.19 2.92 1.01 -0.63 -1.45 120.40 127.41 1qni s VAL 225 Ca 0.56 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 62.11 1qni s VAL 225 Cb -0.26 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 1qni s VAL 225 CO 0.26 0.36 0.18 -0.36 0.00 0.00 0.00 175.10 175.53 1qni s PHE 226 N 1.56 3.41 -0.99 5.22 0.40 0.85 -2.27 117.98 126.16 1qni s PHE 226 Ca 0.06 0.39 -0.17 0.00 -0.60 0.00 0.00 56.93 56.61 1qni s PHE 226 Cb -0.15 -2.22 0.15 0.00 0.51 0.00 0.00 43.02 41.31 1qni s PHE 226 CO 0.01 0.25 1.17 1.21 0.70 0.00 0.00 175.22 178.56 1qni s ASN 227 N 0.47 6.76 0.24 1.36 3.84 -0.36 -2.48 114.94 124.77 1qni s ASN 227 Ca 0.10 -2.34 -0.04 0.00 0.21 0.00 0.00 52.86 50.79 1qni s ASN 227 Cb -0.12 -2.38 0.43 0.00 -0.55 0.00 0.00 41.25 38.64 1qni s ASN 227 CO 0.00 -0.94 1.76 0.58 -2.79 0.00 0.00 177.10 175.71 1qni h VAL 228 N 5.44 0.76 -0.43 -5.21 2.07 -1.12 -0.47 116.25 117.29 1qni h VAL 228 Ca 0.19 -0.20 0.08 0.00 0.82 0.00 0.00 66.70 67.59 1qni h VAL 228 Cb 0.99 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 1qni h VAL 228 CO 1.11 0.10 0.04 -0.08 0.02 0.00 0.00 177.57 178.77 1qni h GLU 229 N 0.57 0.15 -0.18 1.57 4.81 -1.81 0.20 114.58 119.89 1qni h GLU 229 Ca 0.41 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.46 1qni h GLU 229 Cb 0.53 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1qni h GLU 229 CO -0.34 0.10 -0.56 0.00 -0.73 0.00 0.00 179.01 177.48 1qni h ARG 230 N 0.16 0.57 -0.32 1.92 3.08 -1.70 -2.11 114.38 115.98 1qni h ARG 230 Ca 0.21 -0.37 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 1qni h ARG 230 Cb 0.29 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1qni h ARG 230 CO -0.32 0.98 0.10 0.82 -1.07 0.00 0.00 179.97 180.48 1qni h ILE 231 N 0.43 1.21 -0.30 2.04 2.04 -0.49 -1.29 117.51 121.16 1qni h ILE 231 Ca 0.01 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1qni h ILE 231 Cb 1.11 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 1qni h ILE 231 CO 0.11 0.23 0.15 0.00 0.00 0.00 0.00 178.15 178.64 1qni h ALA 232 N 0.94 0.38 -0.45 1.87 0.00 -0.61 -1.43 119.26 119.96 1qni h ALA 232 Ca 0.10 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1qni h ALA 232 Cb 0.25 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1qni h ALA 232 CO -0.00 -0.07 0.24 0.00 0.00 0.00 0.00 179.25 179.41 1qni h ALA 233 N 1.02 0.57 -0.15 0.00 0.00 -1.27 0.96 119.26 120.38 1qni h ALA 233 Ca 0.10 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1qni h ALA 233 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1qni h ALA 233 CO -0.01 -0.10 0.07 0.00 0.00 0.00 0.00 179.25 179.20 1qni h ALA 234 N 1.23 0.18 -0.43 0.00 0.00 -0.99 0.40 119.26 119.64 1qni h ALA 234 Ca 0.19 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1qni h ALA 234 Cb 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1qni h ALA 234 CO -0.12 -0.37 0.25 0.28 0.00 0.00 0.00 179.25 179.30 1qni h VAL 235 N 0.15 1.14 -0.44 0.00 2.07 -0.92 -1.42 116.25 116.84 1qni h VAL 235 Ca 0.06 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1qni h VAL 235 Cb 0.02 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1qni h VAL 235 CO -0.05 0.15 0.28 0.50 0.02 0.00 0.00 177.57 178.47 1qni h LYS 236 N 0.56 0.58 0.00 1.57 3.64 -0.46 -1.28 116.57 121.18 1qni h LYS 236 Ca 0.15 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1qni h LYS 236 Cb 0.01 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1qni h LYS 236 CO -0.03 0.39 0.00 0.00 -2.27 0.00 0.00 179.45 177.54 1qni n ALA 237 N -2.47 2.31 -0.78 5.00 0.00 0.10 -4.89 120.51 119.78 1qni n ALA 237 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1qni n ALA 237 Cb 0.06 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1qni n ALA 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qni n GLY 238 N 0.95 0.69 3.34 0.00 0.00 -0.48 -4.98 105.19 104.70 1qni n GLY 238 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1qni n GLY 238 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qni n ASN 239 N 0.00 5.05 -3.83 1.61 3.02 -0.60 -4.90 115.26 115.60 1qni n ASN 239 Ca 0.00 -2.98 -0.06 0.00 -0.03 0.00 0.00 54.58 51.51 1qni n ASN 239 Cb 0.00 -1.60 -0.02 0.00 -0.61 0.00 0.00 39.78 37.55 1qni n ASN 239 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1qni s PHE 240 N 2.06 -0.18 0.40 3.10 -0.12 -1.26 -4.50 117.98 117.49 1qni s PHE 240 Ca 0.45 -0.26 0.03 0.00 -0.05 0.00 0.00 56.93 57.11 1qni s PHE 240 Cb 0.02 0.70 -0.03 0.00 -0.63 0.00 0.00 43.02 43.08 1qni s PHE 240 CO 0.01 -1.16 0.10 0.15 -0.05 0.00 0.00 175.22 174.27 1qni s LYS 241 N -3.79 1.90 0.05 1.99 1.02 -0.43 -4.90 119.74 115.58 1qni s LYS 241 Ca 0.11 -2.14 0.07 0.00 0.02 0.00 0.00 55.97 54.03 1qni s LYS 241 Cb -0.05 -0.79 -0.02 0.00 -0.52 0.00 0.00 37.83 36.44 1qni s LYS 241 CO 0.06 -0.39 -0.19 0.95 -0.92 0.00 0.00 175.35 174.86 1qni s THR 242 N -3.19 1.51 -0.12 2.17 -4.23 -1.26 -1.15 115.64 109.37 1qni s THR 242 Ca 0.25 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1qni s THR 242 Cb 0.04 -1.33 -0.01 0.00 1.34 0.00 0.00 72.50 72.54 1qni s THR 242 CO 0.13 0.13 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.58 1qni s ILE 243 N -0.83 2.96 0.00 2.99 1.01 -1.26 -5.04 121.20 121.03 1qni s ILE 243 Ca 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1qni s ILE 243 Cb -0.09 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.15 1qni s ILE 243 CO 0.02 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.10 1qni n GLY 244 N 3.47 3.27 0.66 6.18 0.00 -1.26 -2.61 105.19 114.90 1qni n GLY 244 Ca -0.18 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.78 1qni n GLY 244 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qni n ASP 245 N 4.69 2.13 -4.77 1.61 8.00 -1.26 -4.94 116.55 122.01 1qni n ASP 245 Ca 0.00 -1.65 -0.38 0.00 0.71 0.00 0.00 54.79 53.47 1qni n ASP 245 Cb 0.00 0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.11 1qni n ASP 245 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1qni s SER 246 N -2.11 7.41 0.00 -2.24 0.15 -1.07 -4.96 113.70 110.89 1qni s SER 246 Ca 0.30 1.78 0.24 0.00 0.70 0.00 0.00 55.95 58.97 1qni s SER 246 Cb 0.20 -2.55 0.15 0.00 -1.71 0.00 0.00 66.02 62.11 1qni s SER 246 CO 0.37 0.08 1.21 0.29 1.20 0.00 0.00 173.24 176.38 1qni n LYS 247 N 1.10 1.71 -1.74 5.44 4.76 -1.26 -4.13 118.16 124.03 1qni n LYS 247 Ca -0.01 -1.39 -0.42 0.00 -2.87 0.00 0.00 58.31 53.61 1qni n LYS 247 Cb 0.49 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 32.19 1qni n LYS 247 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1qni n VAL 248 N 0.57 0.92 -1.93 -0.18 0.31 -1.26 -4.91 118.33 111.85 1qni n VAL 248 Ca 0.12 -0.23 -0.42 0.00 -0.01 0.00 0.00 64.34 63.79 1qni n VAL 248 Cb 0.52 -1.96 -0.03 0.00 -0.91 0.00 0.00 33.84 31.46 1qni n VAL 248 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1qni s PRO 249 N -0.35 4.17 -0.15 5.55 0.02 -1.26 -4.64 135.00 138.35 1qni s PRO 249 Ca 0.65 2.29 0.02 0.00 0.02 0.00 0.00 61.00 63.97 1qni s PRO 249 Cb -0.50 -4.01 0.01 0.00 0.02 0.00 0.00 34.50 30.02 1qni s PRO 249 CO 0.47 -0.86 -0.19 0.08 -0.33 0.00 0.00 177.00 176.16 1qni s VAL 250 N 4.07 2.27 0.09 3.83 1.01 -0.30 -0.72 120.40 130.66 1qni s VAL 250 Ca 0.77 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.91 1qni s VAL 250 Cb -0.36 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1qni s VAL 250 CO 0.32 0.54 -0.12 0.68 0.00 0.00 0.00 175.10 176.52 1qni s VAL 251 N 0.86 3.23 -0.19 2.92 -7.23 -0.50 -1.31 120.40 118.17 1qni s VAL 251 Ca -0.05 -1.26 -0.19 0.00 -1.81 0.00 0.00 61.98 58.67 1qni s VAL 251 Cb -0.15 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 1qni s VAL 251 CO -0.02 0.16 0.55 -0.62 -0.31 0.00 0.00 175.10 174.86 1qni s ASP 252 N -2.03 6.62 -0.15 4.85 -1.08 -1.26 -1.42 116.67 122.20 1qni s ASP 252 Ca 0.20 0.75 0.17 0.00 -0.52 0.00 0.00 52.55 53.15 1qni s ASP 252 Cb -0.11 -2.31 0.33 0.00 -1.46 0.00 0.00 42.92 39.37 1qni s ASP 252 CO 0.11 -0.18 1.18 0.61 0.52 0.00 0.00 175.17 177.41 1qni n GLY 253 N 3.77 4.89 3.83 2.66 0.00 0.30 -4.81 105.19 115.82 1qni n GLY 253 Ca -0.04 -1.17 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 1qni n GLY 253 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qni s ARG 254 N -2.94 4.18 4.91 1.61 0.52 -1.18 -4.60 118.95 121.45 1qni s ARG 254 Ca 0.34 0.83 0.00 0.00 -0.52 0.00 0.00 55.73 56.38 1qni s ARG 254 Cb 0.30 -2.68 0.00 0.00 0.52 0.00 0.00 34.95 33.09 1qni s ARG 254 CO 0.02 0.28 0.00 0.41 0.02 0.00 0.00 175.30 176.03 1qni n GLY 255 N 0.25 2.53 3.58 -3.53 0.00 -1.26 -4.20 105.19 102.56 1qni n GLY 255 Ca 0.00 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1qni n GLY 255 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qni s GLU 256 N 0.00 3.21 0.03 1.61 2.02 -1.26 -4.94 118.70 119.37 1qni s GLU 256 Ca 0.00 0.64 0.01 0.00 0.02 0.00 0.00 54.97 55.64 1qni s GLU 256 Cb 0.00 -4.17 -0.02 0.00 0.10 0.00 0.00 34.13 30.04 1qni s GLU 256 CO 0.00 -2.04 -0.06 0.45 0.02 0.00 0.00 175.26 173.64 1qni s SER 257 N 5.22 0.62 0.23 -0.19 0.15 -1.26 -5.02 113.70 113.45 1qni s SER 257 Ca 0.59 -0.51 0.26 0.00 0.70 0.00 0.00 55.95 56.98 1qni s SER 257 Cb -0.13 0.06 0.86 0.00 -1.71 0.00 0.00 66.02 65.09 1qni s SER 257 CO 0.26 -0.23 1.76 -1.84 1.20 0.00 0.00 173.24 174.39 1qni n GLU 258 N 1.57 0.25 0.06 5.44 0.28 -1.26 -3.42 120.64 123.56 1qni n GLU 258 Ca -0.23 0.27 -0.18 0.00 -0.16 0.00 0.00 57.16 56.87 1qni n GLU 258 Cb 0.55 -1.83 -0.14 0.00 1.43 0.00 0.00 31.44 31.45 1qni n GLU 258 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 1qni h PHE 259 N 0.00 0.49 -2.22 -1.84 0.04 -1.92 -3.45 116.94 108.04 1qni h PHE 259 Ca 0.00 -0.36 -0.58 0.00 2.80 0.00 0.00 57.97 59.83 1qni h PHE 259 Cb 0.64 -0.02 -0.14 0.00 2.20 0.00 0.00 35.95 38.63 1qni h PHE 259 CO 0.00 1.45 -0.70 0.95 -0.60 0.00 0.00 178.31 179.40 1qni s THR 260 N -2.61 2.14 -0.21 -1.55 -4.23 -1.22 -1.22 115.64 106.75 1qni s THR 260 Ca -0.11 -2.24 -0.04 0.00 -1.18 0.00 0.00 61.69 58.12 1qni s THR 260 Cb 0.07 -2.47 0.10 0.00 1.34 0.00 0.00 72.50 71.53 1qni s THR 260 CO 0.85 -0.30 0.27 -0.13 -0.54 0.00 0.00 174.62 174.77 1qni s ARG 261 N -3.61 0.23 -0.45 3.99 3.00 -0.96 -4.45 118.95 116.69 1qni s ARG 261 Ca 0.30 0.36 -0.21 0.00 0.00 0.00 0.00 55.73 56.18 1qni s ARG 261 Cb 0.01 -0.88 0.03 0.00 0.00 0.00 0.00 34.95 34.11 1qni s ARG 261 CO 0.14 -0.61 0.70 0.71 0.00 0.00 0.00 175.30 176.24 1qni s TYR 262 N 2.40 3.03 -0.53 -0.53 1.51 -1.26 -1.61 117.35 120.35 1qni s TYR 262 Ca 0.08 -0.03 -0.17 0.00 -1.01 0.00 0.00 57.07 55.95 1qni s TYR 262 Cb -0.15 -3.49 0.11 0.00 -0.11 0.00 0.00 41.96 38.32 1qni s TYR 262 CO -0.13 -0.94 0.53 0.42 -1.11 0.00 0.00 175.55 174.32 1qni s ILE 263 N 3.00 5.12 -0.08 2.71 1.01 -1.08 -4.90 121.20 126.97 1qni s ILE 263 Ca 0.25 -1.25 -0.40 0.00 0.00 0.00 0.00 60.65 59.24 1qni s ILE 263 Cb -0.14 -4.33 -0.19 0.00 0.01 0.00 0.00 42.46 37.82 1qni s ILE 263 CO 0.20 -0.86 1.29 -2.65 0.00 0.00 0.00 174.94 172.92 1qni n PRO 264 N 5.51 0.42 -4.39 2.79 -0.02 -1.26 -2.05 135.00 136.01 1qni n PRO 264 Ca -0.12 0.15 -0.19 0.00 -2.02 0.00 0.00 63.50 61.32 1qni n PRO 264 Cb 0.42 -1.71 -0.15 0.00 -0.02 0.00 0.00 33.50 32.04 1qni n PRO 264 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1qni s VAL 265 N 0.95 0.75 -0.08 -1.45 1.01 -0.32 -4.86 120.40 116.40 1qni s VAL 265 Ca 0.92 -0.39 -0.38 0.00 0.00 0.00 0.00 61.98 62.14 1qni s VAL 265 Cb -1.20 -0.64 -0.16 0.00 0.00 0.00 0.00 36.38 34.38 1qni s VAL 265 CO 0.59 0.22 1.57 -2.65 0.00 0.00 0.00 175.10 174.83 1qni n PRO 266 N 2.98 1.29 0.00 2.72 -0.02 -1.26 0.12 135.00 140.82 1qni n PRO 266 Ca -0.15 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1qni n PRO 266 Cb 0.56 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1qni n PRO 266 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1qni n LYS 267 N 4.11 0.00 -3.96 -0.52 5.02 -0.87 -3.85 118.16 118.09 1qni n LYS 267 Ca 0.22 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.20 1qni n LYS 267 Cb 0.18 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.19 1qni n LYS 267 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1qni n ASN 268 N 0.89 -2.47 -4.64 4.39 4.13 -1.26 -3.37 115.26 112.93 1qni n ASN 268 Ca 0.00 -0.89 -0.38 0.00 1.68 0.00 0.00 54.58 54.99 1qni n ASN 268 Cb 0.00 -1.07 0.05 0.00 -1.54 0.00 0.00 39.78 37.22 1qni n ASN 268 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1qni n PRO 269 N -3.73 1.09 0.00 3.52 -0.04 -1.24 -4.47 135.00 130.12 1qni n PRO 269 Ca -0.09 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1qni n PRO 269 Cb 0.39 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1qni n PRO 269 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1qni n HIS 270 N -1.50 0.00 -2.08 0.54 -0.00 0.43 -4.36 115.22 108.25 1qni n HIS 270 Ca 0.13 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.97 1qni n HIS 270 Cb 0.46 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.34 1qni n HIS 270 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1qni s GLY 271 N -1.32 2.31 -0.17 1.57 0.00 0.06 -3.91 107.32 105.87 1qni s GLY 271 Ca 0.00 0.58 -0.04 0.00 0.00 0.00 0.00 44.72 45.26 1qni s GLY 271 CO 0.00 0.92 0.20 -2.27 0.00 0.00 0.00 173.10 171.94 1qni s LEU 272 N -4.29 -0.07 0.04 0.66 0.20 -1.25 0.23 118.68 114.20 1qni s LEU 272 Ca 0.67 -0.07 0.05 0.00 0.69 0.00 0.00 54.13 55.47 1qni s LEU 272 Cb -0.19 0.32 -0.02 0.00 -0.43 0.00 0.00 46.19 45.86 1qni s LEU 272 CO 0.33 -0.30 -0.15 0.20 -0.29 0.00 0.00 176.35 176.14 1qni s ASN 273 N 2.31 1.83 -0.18 3.68 -0.87 0.29 -4.47 114.94 117.53 1qni s ASN 273 Ca 0.05 -0.47 -0.08 0.00 -1.57 0.00 0.00 52.86 50.79 1qni s ASN 273 Cb -0.15 -0.13 -0.04 0.00 -0.02 0.00 0.00 41.25 40.91 1qni s ASN 273 CO -0.10 0.06 0.10 -0.89 -2.57 0.00 0.00 177.10 173.70 1qni s THR 274 N -0.82 5.16 0.51 1.60 2.01 -1.26 0.15 115.64 122.99 1qni s THR 274 Ca 0.03 0.09 -0.22 0.00 0.31 0.00 0.00 61.69 61.91 1qni s THR 274 Cb -0.08 -3.32 -0.06 0.00 0.01 0.00 0.00 72.50 69.05 1qni s THR 274 CO 0.01 0.48 1.21 -0.94 -0.69 0.00 0.00 174.62 174.69 1qni s SER 275 N 0.11 5.77 0.43 3.53 1.04 -0.47 -4.89 113.70 119.22 1qni s SER 275 Ca 0.07 2.39 0.16 0.00 0.48 0.00 0.00 55.95 59.06 1qni s SER 275 Cb -0.12 -2.61 1.06 0.00 0.10 0.00 0.00 66.02 64.46 1qni s SER 275 CO -0.00 -1.20 1.92 -0.65 0.98 0.00 0.00 173.24 174.30 1qni h PRO 276 N 1.63 0.39 0.00 4.02 0.11 -1.84 0.36 132.00 136.67 1qni h PRO 276 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1qni h PRO 276 Cb 1.27 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1qni h PRO 276 CO 0.58 0.26 0.00 -0.40 -0.21 0.00 0.00 178.00 178.23 1qni n ASP 277 N -4.47 0.30 -1.29 -2.05 5.68 -1.26 -4.49 116.55 108.96 1qni n ASP 277 Ca 0.14 0.58 -0.12 0.00 -0.50 0.00 0.00 54.79 54.90 1qni n ASP 277 Cb 0.52 -0.64 -0.01 0.00 -1.14 0.00 0.00 41.12 39.85 1qni n ASP 277 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qni n GLY 278 N -0.19 -0.03 0.00 6.12 0.00 0.13 -4.92 105.19 106.30 1qni n GLY 278 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1qni n GLY 278 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qni n LYS 279 N -2.14 0.67 -3.87 1.61 2.85 -1.26 -4.52 118.16 111.50 1qni n LYS 279 Ca -0.14 -0.73 -0.20 0.00 -1.05 0.00 0.00 58.31 56.20 1qni n LYS 279 Cb 0.59 -0.80 -0.17 0.00 -0.65 0.00 0.00 35.03 34.00 1qni n LYS 279 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1qni s TYR 280 N -0.32 0.49 -0.39 5.58 2.02 -1.26 -1.53 117.35 121.95 1qni s TYR 280 Ca 0.00 -0.06 -0.14 0.00 -0.37 0.00 0.00 57.07 56.50 1qni s TYR 280 Cb 0.00 -0.61 0.01 0.00 -0.40 0.00 0.00 41.96 40.96 1qni s TYR 280 CO 0.00 -0.23 0.27 -0.06 -1.57 0.00 0.00 175.55 173.96 1qni s PHE 281 N 1.54 3.24 -0.29 2.71 0.08 0.71 -1.37 117.98 124.59 1qni s PHE 281 Ca -0.02 -0.56 -0.08 0.00 0.12 0.00 0.00 56.93 56.39 1qni s PHE 281 Cb -0.13 -2.54 -0.00 0.00 -0.57 0.00 0.00 43.02 39.78 1qni s PHE 281 CO -0.03 -0.55 0.10 0.42 -0.10 0.00 0.00 175.22 175.06 1qni s ILE 282 N 1.67 4.21 0.02 0.64 1.01 0.12 0.06 121.20 128.93 1qni s ILE 282 Ca 0.05 -0.50 -0.05 0.00 0.00 0.00 0.00 60.65 60.15 1qni s ILE 282 Cb -0.19 -3.12 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 1qni s ILE 282 CO 0.10 0.14 0.25 0.00 0.00 0.00 0.00 174.94 175.42 1qni s ALA 283 N 1.56 3.89 -0.21 9.38 0.00 0.16 -0.55 121.76 135.98 1qni s ALA 283 Ca 0.04 -0.65 -0.10 0.00 0.00 0.00 0.00 51.96 51.25 1qni s ALA 283 Cb -0.17 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.90 1qni s ALA 283 CO 0.04 0.69 0.15 -0.80 0.00 0.00 0.00 175.76 175.84 1qni s ASN 284 N -1.88 6.19 0.54 0.00 0.01 0.14 -1.44 114.94 118.50 1qni s ASN 284 Ca 0.29 0.20 0.33 0.00 -0.71 0.00 0.00 52.86 52.97 1qni s ASN 284 Cb -0.13 -2.10 1.40 0.00 0.41 0.00 0.00 41.25 40.83 1qni s ASN 284 CO 0.18 0.13 2.00 1.23 -1.51 0.00 0.00 177.10 179.13 1qni h GLY 285 N 7.02 0.00 0.00 0.66 0.00 -1.35 0.12 103.07 109.52 1qni h GLY 285 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1qni h GLY 285 CO 0.72 0.00 0.00 1.17 0.00 0.00 0.00 176.54 178.43 1qni n LYS 286 N -3.17 0.00 0.26 4.80 4.81 0.14 -0.75 118.16 124.25 1qni n LYS 286 Ca 0.00 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.58 1qni n LYS 286 Cb 0.30 0.00 0.65 0.00 0.02 0.00 0.00 35.03 36.00 1qni n LYS 286 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1qni h LEU 287 N 0.00 0.00 -8.98 3.14 3.38 -1.77 -3.13 115.31 107.94 1qni h LEU 287 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 1qni h LEU 287 Cb 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.58 1qni h LEU 287 CO 0.00 0.11 -0.55 -0.55 0.09 0.00 0.00 178.44 177.54 1qni s SER 288 N -5.95 5.74 0.00 -0.43 0.15 0.07 -4.94 113.70 108.35 1qni s SER 288 Ca -0.01 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1qni s SER 288 Cb 0.11 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 1qni s SER 288 CO 0.58 0.07 0.09 -0.81 1.20 0.00 0.00 173.24 174.36 1qni n PRO 289 N 4.24 0.17 -2.36 5.44 -0.04 -1.26 -4.18 135.00 137.01 1qni n PRO 289 Ca -0.16 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.23 1qni n PRO 289 Cb 0.52 -1.09 -0.01 0.00 -0.04 0.00 0.00 33.50 32.88 1qni n PRO 289 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1qni n THR 290 N 0.42 0.00 -3.67 0.52 -2.24 -1.26 -1.09 114.28 106.96 1qni n THR 290 Ca 0.00 -0.54 -0.11 0.00 -2.27 0.00 0.00 64.05 61.14 1qni n THR 290 Cb 0.04 -0.12 -0.11 0.00 -2.10 0.00 0.00 70.33 68.04 1qni n THR 290 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1qni s VAL 291 N -1.06 -0.44 -0.22 2.28 1.01 -1.15 -1.49 120.40 119.32 1qni s VAL 291 Ca 0.03 0.19 -0.18 0.00 0.00 0.00 0.00 61.98 62.03 1qni s VAL 291 Cb -0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 1qni s VAL 291 CO 0.02 0.08 0.50 -0.44 0.00 0.00 0.00 175.10 175.26 1qni s SER 292 N 2.28 6.49 -0.36 3.32 0.01 -0.52 -3.57 113.70 121.36 1qni s SER 292 Ca -0.02 0.59 -0.11 0.00 1.31 0.00 0.00 55.95 57.71 1qni s SER 292 Cb -0.11 -2.28 0.01 0.00 0.21 0.00 0.00 66.02 63.85 1qni s SER 292 CO -0.11 -0.20 0.21 -0.69 0.41 0.00 0.00 173.24 172.86 1qni s VAL 293 N 1.82 4.76 -0.17 3.43 1.01 -0.24 -0.66 120.40 130.35 1qni s VAL 293 Ca 0.22 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 1qni s VAL 293 Cb -0.15 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1qni s VAL 293 CO 0.09 -0.14 0.16 -0.63 0.00 0.00 0.00 175.10 174.59 1qni s ILE 294 N 1.61 5.41 -0.30 2.22 1.01 0.11 -0.83 121.20 130.42 1qni s ILE 294 Ca 0.04 0.27 -0.22 0.00 0.00 0.00 0.00 60.65 60.73 1qni s ILE 294 Cb -0.18 -3.48 -0.00 0.00 0.01 0.00 0.00 42.46 38.80 1qni s ILE 294 CO 0.07 0.48 0.71 0.00 0.00 0.00 0.00 174.94 176.21 1qni s ALA 295 N -0.02 3.53 0.18 9.38 0.00 -0.25 -0.21 121.76 134.37 1qni s ALA 295 Ca 0.11 -0.53 0.34 0.00 0.00 0.00 0.00 51.96 51.89 1qni s ALA 295 Cb -0.12 -3.20 1.44 0.00 0.00 0.00 0.00 23.12 21.25 1qni s ALA 295 CO 0.01 -1.13 2.02 0.82 0.00 0.00 0.00 175.76 177.48 1qni h ILE 296 N 5.57 0.08 -0.02 0.00 2.04 -1.62 -2.77 117.51 120.79 1qni h ILE 296 Ca -0.25 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.03 1qni h ILE 296 Cb 1.11 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1qni h ILE 296 CO 0.84 0.03 -0.23 -0.78 0.00 0.00 0.00 178.15 178.01 1qni h ASP 297 N 0.00 0.03 0.23 1.72 1.82 -1.91 -2.77 116.42 115.54 1qni h ASP 297 Ca -0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1qni h ASP 297 Cb 0.47 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.47 1qni h ASP 297 CO 0.00 0.27 -0.52 0.29 -1.61 0.00 0.00 179.24 177.67 1qni n LYS 298 N -4.25 0.47 -0.21 0.28 5.02 -1.05 -4.44 118.16 113.98 1qni n LYS 298 Ca -0.02 -0.32 0.08 0.00 -2.02 0.00 0.00 58.31 56.02 1qni n LYS 298 Cb 0.30 -1.49 0.35 0.00 -0.02 0.00 0.00 35.03 34.17 1qni n LYS 298 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1qni h LEU 299 N 0.79 0.68 -0.74 -0.35 3.38 -1.54 -2.03 115.31 115.50 1qni h LEU 299 Ca 0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1qni h LEU 299 Cb 0.55 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1qni h LEU 299 CO 0.00 0.41 0.37 0.44 0.09 0.00 0.00 178.44 179.76 1qni h ASP 300 N 0.76 0.96 -0.39 -0.43 3.32 -1.78 -2.25 116.42 116.60 1qni h ASP 300 Ca 0.35 -0.12 -0.13 0.00 0.02 0.00 0.00 57.03 57.15 1qni h ASP 300 Cb 0.38 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1qni h ASP 300 CO -0.13 0.81 -0.25 0.44 -1.72 0.00 0.00 179.24 178.39 1qni h ASP 301 N 1.04 0.93 -0.85 6.45 3.32 -1.73 -3.06 116.42 122.52 1qni h ASP 301 Ca 0.26 -0.36 0.03 0.00 0.02 0.00 0.00 57.03 56.98 1qni h ASP 301 Cb 0.10 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.34 1qni h ASP 301 CO -0.03 1.12 0.55 0.25 -1.72 0.00 0.00 179.24 179.41 1qni h LEU 302 N 0.78 0.91 0.00 1.55 5.85 -1.04 0.22 115.31 123.58 1qni h LEU 302 Ca 0.10 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1qni h LEU 302 Cb 0.80 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1qni h LEU 302 CO 0.07 0.63 0.00 0.49 -0.34 0.00 0.00 178.44 179.29 1qni n PHE 303 N -4.55 0.00 0.17 1.25 3.01 -0.88 -1.75 117.46 114.71 1qni n PHE 303 Ca 0.10 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.58 1qni n PHE 303 Cb 0.08 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.56 1qni n PHE 303 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1qni n GLU 304 N -0.73 0.56 -1.79 -1.08 4.07 0.57 -4.99 120.64 117.25 1qni n GLU 304 Ca 0.10 -0.62 -0.20 0.00 -0.06 0.00 0.00 57.16 56.39 1qni n GLU 304 Cb 0.05 -1.01 -0.06 0.00 -0.06 0.00 0.00 31.44 30.35 1qni n GLU 304 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1qni n ASP 305 N 0.02 -5.45 0.16 4.31 8.00 -0.10 -4.85 116.55 118.64 1qni n ASP 305 Ca 0.02 0.35 0.05 0.00 0.71 0.00 0.00 54.79 55.92 1qni n ASP 305 Cb 0.09 -4.63 0.15 0.00 -0.02 0.00 0.00 41.12 36.71 1qni n ASP 305 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1qni h LYS 306 N 0.00 0.00 -5.09 -1.24 1.57 -1.53 -3.46 116.57 106.82 1qni h LYS 306 Ca -0.42 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.80 1qni h LYS 306 Cb 1.30 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.48 1qni h LYS 306 CO 0.58 0.41 -0.53 0.96 -0.57 0.00 0.00 179.45 180.30 1qni s ILE 307 N -3.17 0.75 0.30 1.86 -4.36 -1.26 -5.03 121.20 110.30 1qni s ILE 307 Ca 0.03 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.37 1qni s ILE 307 Cb 0.08 -2.38 -0.05 0.00 1.25 0.00 0.00 42.46 41.36 1qni s ILE 307 CO 0.71 0.00 0.57 -0.70 0.24 0.00 0.00 174.94 175.76 1qni s GLU 308 N -3.75 3.64 0.10 0.37 2.56 -1.26 -4.81 118.70 115.55 1qni s GLU 308 Ca 0.23 0.03 -0.33 0.00 0.00 0.00 0.00 54.97 54.90 1qni s GLU 308 Cb 0.03 -2.63 -0.13 0.00 2.00 0.00 0.00 34.13 33.41 1qni s GLU 308 CO 0.13 0.19 1.58 -0.07 -0.56 0.00 0.00 175.26 176.53 1qni h LEU 309 N 1.61 -1.33 -0.38 2.70 3.38 -1.96 -1.32 115.31 118.01 1qni h LEU 309 Ca -0.48 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1qni h LEU 309 Cb 1.19 0.48 0.00 0.00 0.09 0.00 0.00 40.66 42.42 1qni h LEU 309 CO 0.66 -0.54 0.00 0.54 0.09 0.00 0.00 178.44 179.19 1qni n ARG 310 N -5.49 0.05 0.26 1.13 5.12 -1.26 -2.06 116.66 114.42 1qni n ARG 310 Ca -0.09 0.45 0.14 0.00 -1.93 0.00 0.00 57.85 56.42 1qni n ARG 310 Cb 0.40 -1.64 0.69 0.00 -1.16 0.00 0.00 32.46 30.76 1qni n ARG 310 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1qni h ASP 311 N 0.00 0.00 0.98 0.55 3.32 -1.63 -2.25 116.42 117.40 1qni h ASP 311 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qni h ASP 311 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1qni h ASP 311 CO 0.00 0.11 0.00 0.71 -1.72 0.00 0.00 179.24 178.34 1qni h THR 312 N 0.00 0.00 -3.12 0.35 1.35 -1.50 -3.42 112.91 106.58 1qni h THR 312 Ca -0.00 -0.41 -0.56 0.00 -0.55 0.00 0.00 66.41 64.88 1qni h THR 312 Cb 0.46 1.30 -0.05 0.00 -1.73 0.00 0.00 68.15 68.12 1qni h THR 312 CO 0.01 0.00 1.10 -0.63 -0.25 0.00 0.00 175.52 175.75 1qni s ILE 313 N -3.45 3.84 -0.62 6.82 -1.09 -0.85 -1.10 121.20 124.76 1qni s ILE 313 Ca 0.03 0.82 0.24 0.00 -2.23 0.00 0.00 60.65 59.51 1qni s ILE 313 Cb 0.09 -4.23 -0.01 0.00 -1.58 0.00 0.00 42.46 36.73 1qni s ILE 313 CO 0.49 -0.85 1.21 0.52 -1.23 0.00 0.00 174.94 175.08 1qni n VAL 314 N 7.05 0.29 -3.51 2.92 0.31 -0.01 -4.96 118.33 120.42 1qni n VAL 314 Ca 0.16 -0.27 -0.08 0.00 -0.01 0.00 0.00 64.34 64.14 1qni n VAL 314 Cb 0.48 -0.02 -0.02 0.00 -0.91 0.00 0.00 33.84 33.38 1qni n VAL 314 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qni s ALA 315 N -3.18 -1.83 -0.41 3.52 0.00 -1.23 -4.52 121.76 114.11 1qni s ALA 315 Ca 0.05 1.02 0.06 0.00 0.00 0.00 0.00 51.96 53.10 1qni s ALA 315 Cb 0.14 0.40 0.32 0.00 0.00 0.00 0.00 23.12 23.97 1qni s ALA 315 CO 0.75 -0.69 1.22 -1.91 0.00 0.00 0.00 175.76 175.13 1qni n GLU 316 N -0.24 0.87 -2.21 0.00 2.13 -1.25 -1.08 120.64 118.86 1qni n GLU 316 Ca -0.08 -1.62 -0.39 0.00 0.66 0.00 0.00 57.16 55.73 1qni n GLU 316 Cb 0.62 -0.56 -0.01 0.00 0.27 0.00 0.00 31.44 31.75 1qni n GLU 316 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1qni s PRO 317 N 0.20 4.05 -0.11 5.31 0.04 -1.23 -4.62 135.00 138.62 1qni s PRO 317 Ca 0.20 1.96 -0.25 0.00 0.04 0.00 0.00 61.00 62.95 1qni s PRO 317 Cb 0.30 -2.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 1qni s PRO 317 CO -0.08 -0.36 0.79 -2.00 0.04 0.00 0.00 177.00 175.39 1qni s GLU 318 N -2.24 4.38 -0.06 4.56 2.12 -1.26 -2.96 118.70 123.24 1qni s GLU 318 Ca 0.56 1.00 0.00 0.00 0.36 0.00 0.00 54.97 56.89 1qni s GLU 318 Cb -0.34 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.50 1qni s GLU 318 CO 0.43 -0.15 -0.06 1.28 -0.54 0.00 0.00 175.26 176.22 1qni n LEU 319 N 4.53 2.76 0.00 2.70 4.77 -0.25 -5.00 117.00 126.51 1qni n LEU 319 Ca 0.02 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1qni n LEU 319 Cb 0.50 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1qni n LEU 319 CO 0.48 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 1qni n GLY 320 N 3.15 -1.35 3.71 -0.72 0.00 -1.18 -5.06 105.19 103.73 1qni n GLY 320 Ca -0.11 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.47 1qni n GLY 320 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qni s LEU 321 N 0.00 4.30 -0.16 0.99 1.43 -1.26 -4.25 118.68 119.73 1qni s LEU 321 Ca 0.00 1.21 -0.00 0.00 -1.03 0.00 0.00 54.13 54.30 1qni s LEU 321 Cb 0.00 -3.12 -0.00 0.00 0.03 0.00 0.00 46.19 43.10 1qni s LEU 321 CO 0.00 -0.16 0.13 0.61 0.23 0.00 0.00 176.35 177.16 1qni n GLY 322 N 3.15 0.38 3.66 -3.19 0.00 -1.18 -2.59 105.19 105.42 1qni n GLY 322 Ca -0.00 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 1qni n GLY 322 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1qni s PRO 323 N -4.03 4.18 -0.14 1.61 0.02 -1.24 -0.16 135.00 135.24 1qni s PRO 323 Ca 0.01 1.71 -0.04 0.00 0.02 0.00 0.00 61.00 62.71 1qni s PRO 323 Cb -0.00 -3.82 -0.07 0.00 0.02 0.00 0.00 34.50 30.62 1qni s PRO 323 CO 0.10 -0.79 -0.15 1.28 -0.33 0.00 0.00 177.00 177.10 1qni n LEU 324 N 6.87 1.78 -4.07 -5.54 4.77 -0.94 0.29 117.00 120.15 1qni n LEU 324 Ca 0.15 0.07 -0.07 0.00 -0.03 0.00 0.00 56.01 56.13 1qni n LEU 324 Cb 0.45 -0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 1qni n LEU 324 CO 0.58 0.46 -0.33 -1.00 -1.33 0.00 0.00 177.39 175.77 1qni s HIS 325 N -2.26 0.52 -0.01 -1.77 3.76 -1.26 -0.76 115.29 113.51 1qni s HIS 325 Ca -0.19 -1.04 -0.01 0.00 -0.15 0.00 0.00 55.06 53.67 1qni s HIS 325 Cb 0.06 -0.37 -0.00 0.00 1.11 0.00 0.00 32.58 33.39 1qni s HIS 325 CO 0.27 -0.41 0.03 0.99 -0.85 0.00 0.00 174.74 174.76 1qni s THR 326 N -3.93 0.02 0.31 1.30 2.01 -1.26 -1.29 115.64 112.80 1qni s THR 326 Ca 0.09 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 61.95 1qni s THR 326 Cb 0.08 -0.10 -0.04 0.00 0.01 0.00 0.00 72.50 72.44 1qni s THR 326 CO -0.09 -0.09 0.12 0.28 -0.69 0.00 0.00 174.62 174.15 1qni s THR 327 N -0.26 0.61 0.08 -0.82 -1.32 0.15 -4.72 115.64 109.37 1qni s THR 327 Ca -0.03 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.49 1qni s THR 327 Cb -0.02 -2.58 -0.03 0.00 -1.51 0.00 0.00 72.50 68.36 1qni s THR 327 CO -0.00 0.00 -0.11 -0.36 -2.21 0.00 0.00 174.62 171.93 1qni s PHE 328 N -3.52 1.09 -1.35 9.09 0.40 -1.26 -0.84 117.98 121.60 1qni s PHE 328 Ca 0.34 -0.56 0.23 0.00 -0.60 0.00 0.00 56.93 56.34 1qni s PHE 328 Cb 0.06 -0.60 0.07 0.00 0.51 0.00 0.00 43.02 43.06 1qni s PHE 328 CO 0.15 0.02 1.12 -0.40 0.70 0.00 0.00 175.22 176.81 1qni n ASP 329 N 0.92 1.17 0.00 1.36 5.68 -1.13 -4.60 116.55 119.95 1qni n ASP 329 Ca -0.19 -0.98 0.00 0.00 -0.50 0.00 0.00 54.79 53.12 1qni n ASP 329 Cb 0.56 0.63 0.00 0.00 -1.14 0.00 0.00 41.12 41.17 1qni n ASP 329 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qni n GLY 330 N 1.46 0.81 0.86 6.12 0.00 -1.26 -2.22 105.19 110.97 1qni n GLY 330 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.16 1qni n GLY 330 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qni n ARG 331 N -2.31 3.01 -0.01 1.61 1.74 -1.26 -4.94 116.66 114.49 1qni n ARG 331 Ca 0.00 -2.54 0.00 0.00 -0.77 0.00 0.00 57.85 54.54 1qni n ARG 331 Cb 0.00 -1.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 1qni n ARG 331 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qni n GLY 332 N 0.03 0.35 3.88 -0.13 0.00 -1.26 -5.07 105.19 102.99 1qni n GLY 332 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1qni n GLY 332 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qni s ASN 333 N -2.32 6.23 0.05 1.61 0.01 -1.26 -2.15 114.94 117.11 1qni s ASN 333 Ca 0.00 0.32 0.09 0.00 -0.71 0.00 0.00 52.86 52.56 1qni s ASN 333 Cb 0.00 -1.93 -0.03 0.00 0.41 0.00 0.00 41.25 39.70 1qni s ASN 333 CO 0.00 0.28 -0.26 0.00 -1.51 0.00 0.00 177.10 175.61 1qni s ALA 334 N -1.27 2.29 -0.15 0.60 0.00 0.54 -2.85 121.76 120.92 1qni s ALA 334 Ca 0.25 -1.28 0.02 0.00 0.00 0.00 0.00 51.96 50.95 1qni s ALA 334 Cb -0.12 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.52 1qni s ALA 334 CO 0.16 0.54 -0.21 0.71 0.00 0.00 0.00 175.76 176.96 1qni s TYR 335 N -0.83 2.70 0.08 0.00 1.51 -0.02 -0.94 117.35 119.85 1qni s TYR 335 Ca 0.12 -1.32 0.10 0.00 -1.01 0.00 0.00 57.07 54.95 1qni s TYR 335 Cb -0.10 -1.84 -0.03 0.00 -0.11 0.00 0.00 41.96 39.88 1qni s TYR 335 CO 0.03 -0.61 -0.25 0.99 -1.11 0.00 0.00 175.55 174.59 1qni s THR 336 N 0.86 2.29 0.01 -0.71 2.01 -0.53 -0.67 115.64 118.90 1qni s THR 336 Ca -0.06 -1.53 -0.17 0.00 0.31 0.00 0.00 61.69 60.25 1qni s THR 336 Cb -0.15 -1.96 -0.06 0.00 0.01 0.00 0.00 72.50 70.34 1qni s THR 336 CO -0.03 0.23 0.47 0.42 -0.69 0.00 0.00 174.62 175.03 1qni s THR 337 N -0.94 4.95 -0.52 -0.82 -4.23 -0.41 0.63 115.64 114.28 1qni s THR 337 Ca 0.13 0.98 0.01 0.00 -1.18 0.00 0.00 61.69 61.64 1qni s THR 337 Cb -0.10 -3.79 0.13 0.00 1.34 0.00 0.00 72.50 70.09 1qni s THR 337 CO 0.04 0.54 0.29 -0.76 -0.54 0.00 0.00 174.62 174.19 1qni s LEU 338 N -0.89 4.73 0.15 4.79 1.43 0.32 -2.22 118.68 127.00 1qni s LEU 338 Ca 0.26 -2.79 -0.24 0.00 -1.03 0.00 0.00 54.13 50.33 1qni s LEU 338 Cb -0.17 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.35 1qni s LEU 338 CO 0.15 -0.31 1.60 0.15 0.23 0.00 0.00 176.35 178.17 1qni h PHE 339 N 6.91 -0.89 0.30 0.29 3.57 -0.61 0.83 116.94 127.34 1qni h PHE 339 Ca -0.06 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1qni h PHE 339 Cb 0.94 0.44 0.00 0.00 2.79 0.00 0.00 35.95 40.12 1qni h PHE 339 CO 0.57 -0.39 -0.15 0.82 -2.23 0.00 0.00 178.31 176.94 1qni h ILE 340 N -0.30 0.72 0.00 1.41 2.04 -1.69 -2.82 117.51 116.87 1qni h ILE 340 Ca 0.14 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1qni h ILE 340 Cb 0.54 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1qni h ILE 340 CO -0.47 0.10 0.00 0.47 0.00 0.00 0.00 178.15 178.25 1qni n ASP 341 N -5.15 0.00 -3.60 1.72 8.00 -1.14 -4.92 116.55 111.47 1qni n ASP 341 Ca -0.10 0.14 -0.26 0.00 0.71 0.00 0.00 54.79 55.29 1qni n ASP 341 Cb 0.25 -0.34 0.03 0.00 -0.02 0.00 0.00 41.12 41.04 1qni n ASP 341 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1qni n SER 342 N -1.34 -5.67 -3.50 -2.24 2.88 0.28 -4.88 113.62 99.15 1qni n SER 342 Ca 0.08 -0.87 -0.09 0.00 -1.33 0.00 0.00 58.87 56.66 1qni n SER 342 Cb 0.17 -3.46 -0.02 0.00 -0.75 0.00 0.00 64.21 60.15 1qni n SER 342 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qni s GLN 343 N -5.36 1.01 -0.14 -1.46 -2.07 -0.69 -1.45 119.66 109.50 1qni s GLN 343 Ca 0.34 -0.39 -0.06 0.00 -1.82 0.00 0.00 55.36 53.43 1qni s GLN 343 Cb -0.12 0.45 -0.04 0.00 -1.09 0.00 0.00 33.01 32.21 1qni s GLN 343 CO 0.85 -0.44 0.08 0.08 -1.32 0.00 0.00 175.29 174.54 1qni s VAL 344 N -3.35 5.00 -0.25 3.63 1.01 -0.30 0.12 120.40 126.26 1qni s VAL 344 Ca 0.04 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 1qni s VAL 344 Cb -0.01 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.18 1qni s VAL 344 CO -0.09 0.54 -0.03 0.00 0.00 0.00 0.00 175.10 175.52 1qni s LYS 346 N 1.40 4.19 0.01 0.00 2.20 0.14 -1.45 119.74 126.22 1qni s LYS 346 Ca 0.02 0.47 -0.03 0.00 -0.36 0.00 0.00 55.97 56.08 1qni s LYS 346 Cb -0.16 -3.58 -0.01 0.00 -1.51 0.00 0.00 37.83 32.57 1qni s LYS 346 CO -0.03 -0.20 0.04 1.67 -0.36 0.00 0.00 175.35 176.47 1qni s TRP 347 N 1.79 0.14 -0.22 4.03 1.48 -0.11 -0.37 118.94 125.67 1qni s TRP 347 Ca 0.25 -0.29 -0.23 0.00 -1.06 0.00 0.00 56.10 54.77 1qni s TRP 347 Cb -0.16 -0.11 -0.01 0.00 -1.16 0.00 0.00 33.47 32.03 1qni s TRP 347 CO 0.10 -0.19 0.77 1.21 -4.06 0.00 0.00 176.95 174.77 1qni s ASN 348 N -1.17 6.80 0.28 -2.66 3.84 -0.13 -0.34 114.94 121.56 1qni s ASN 348 Ca -0.13 0.99 -0.02 0.00 0.21 0.00 0.00 52.86 53.91 1qni s ASN 348 Cb -0.08 -2.41 0.40 0.00 -0.55 0.00 0.00 41.25 38.61 1qni s ASN 348 CO -0.00 -0.43 1.89 0.40 -2.79 0.00 0.00 177.10 176.18 1qni h ILE 349 N 5.33 1.22 0.22 -5.21 2.04 -1.77 -2.44 117.51 116.90 1qni h ILE 349 Ca -0.26 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 1qni h ILE 349 Cb 1.11 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1qni h ILE 349 CO 0.83 0.26 -0.11 0.00 0.00 0.00 0.00 178.15 179.13 1qni h ALA 350 N 1.40 -0.30 -0.50 1.87 0.00 -1.93 -1.80 119.26 118.00 1qni h ALA 350 Ca 0.25 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1qni h ALA 350 Cb 0.07 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1qni h ALA 350 CO -0.04 -0.64 0.33 -0.44 0.00 0.00 0.00 179.25 178.47 1qni h ASP 351 N -0.36 0.41 0.16 0.00 3.32 -1.90 -0.38 116.42 117.67 1qni h ASP 351 Ca -0.03 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 1qni h ASP 351 Cb 0.27 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1qni h ASP 351 CO 0.05 0.27 -0.42 0.00 -1.72 0.00 0.00 179.24 177.42 1qni h ALA 352 N 1.73 1.01 -0.10 3.45 0.00 -1.13 0.24 119.26 124.46 1qni h ALA 352 Ca 0.21 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1qni h ALA 352 Cb 0.24 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1qni h ALA 352 CO -0.05 0.62 0.03 0.82 0.00 0.00 0.00 179.25 180.66 1qni h ILE 353 N 0.28 1.19 0.54 0.00 2.04 -0.24 -1.43 117.51 119.89 1qni h ILE 353 Ca 0.02 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 1qni h ILE 353 Cb 0.87 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 1qni h ILE 353 CO 0.07 0.17 -0.30 0.11 0.00 0.00 0.00 178.15 178.20 1qni h LYS 354 N -0.04 -0.75 -0.17 2.37 1.57 -0.92 -2.58 116.57 116.04 1qni h LYS 354 Ca 0.03 0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1qni h LYS 354 Cb 0.24 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1qni h LYS 354 CO -0.00 -0.50 0.17 1.25 -0.57 0.00 0.00 179.45 179.80 1qni h HIS 355 N -0.78 0.00 0.00 -1.35 2.76 -0.52 0.17 115.15 115.43 1qni h HIS 355 Ca -0.07 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.08 1qni h HIS 355 Cb 0.63 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.58 1qni h HIS 355 CO -0.07 0.00 -0.10 -0.92 -1.30 0.00 0.00 177.93 175.53 1qni h TYR 356 N 0.00 0.00 -0.01 5.26 3.20 -0.88 -3.16 116.97 121.39 1qni h TYR 356 Ca 0.08 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1qni h TYR 356 Cb 0.43 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1qni h TYR 356 CO 0.00 0.10 -0.17 0.09 -1.64 0.00 0.00 178.16 176.55 1qni n ASN 357 N -3.14 0.90 0.00 -2.11 3.02 0.59 -4.90 115.26 109.61 1qni n ASN 357 Ca 0.03 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1qni n ASN 357 Cb 0.53 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.75 1qni n ASN 357 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qni n GLY 358 N 1.29 1.29 0.12 7.41 0.00 -1.14 -5.10 105.19 109.06 1qni n GLY 358 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 1qni n GLY 358 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qni n ASP 359 N 0.00 -1.50 0.00 1.61 -0.08 -1.06 -4.99 116.55 110.53 1qni n ASP 359 Ca 0.00 -0.31 0.00 0.00 -1.51 0.00 0.00 54.79 52.97 1qni n ASP 359 Cb 0.00 -0.04 0.00 0.00 2.34 0.00 0.00 41.12 43.42 1qni n ASP 359 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1qni n ARG 360 N -1.85 0.52 -1.62 -0.67 1.74 -1.26 -4.71 116.66 108.80 1qni n ARG 360 Ca 0.01 -0.65 -0.36 0.00 -0.77 0.00 0.00 57.85 56.08 1qni n ARG 360 Cb 0.02 -0.59 0.08 0.00 -1.02 0.00 0.00 32.46 30.95 1qni n ARG 360 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1qni s VAL 361 N -0.18 2.21 -0.31 1.55 1.01 -1.26 -4.97 120.40 118.45 1qni s VAL 361 Ca 0.00 0.12 -0.18 0.00 0.00 0.00 0.00 61.98 61.92 1qni s VAL 361 Cb 0.00 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1qni s VAL 361 CO 0.00 -0.04 0.53 0.20 0.00 0.00 0.00 175.10 175.79 1qni s ASN 362 N -1.70 6.37 0.12 3.32 0.02 -1.26 -4.77 114.94 117.04 1qni s ASN 362 Ca 0.78 0.22 0.19 0.00 -1.02 0.00 0.00 52.86 53.03 1qni s ASN 362 Cb -0.33 -2.28 -0.08 0.00 0.02 0.00 0.00 41.25 38.58 1qni s ASN 362 CO 0.41 -0.42 0.91 0.00 0.02 0.00 0.00 177.10 178.03 1qni n TYR 363 N 5.70 0.97 -2.57 2.20 0.18 -1.26 -4.82 117.16 117.57 1qni n TYR 363 Ca -0.04 0.31 -0.43 0.00 1.88 0.00 0.00 57.90 59.62 1qni n TYR 363 Cb 0.49 -1.03 -0.02 0.00 -0.38 0.00 0.00 39.34 38.40 1qni n TYR 363 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1qni s ILE 364 N -3.11 4.46 -0.18 -3.48 1.01 -1.26 -0.96 121.20 117.68 1qni s ILE 364 Ca -0.02 1.73 0.02 0.00 0.00 0.00 0.00 60.65 62.38 1qni s ILE 364 Cb 0.09 -4.25 -0.22 0.00 0.01 0.00 0.00 42.46 38.09 1qni s ILE 364 CO 0.80 -0.30 0.10 0.54 0.00 0.00 0.00 174.94 176.08 1qni n ARG 365 N 6.70 0.69 -3.52 2.79 5.12 0.50 -4.98 116.66 123.95 1qni n ARG 365 Ca 0.13 0.18 -0.13 0.00 -1.93 0.00 0.00 57.85 56.10 1qni n ARG 365 Cb 0.46 -1.61 -0.04 0.00 -1.16 0.00 0.00 32.46 30.11 1qni n ARG 365 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1qni s GLN 366 N -2.54 0.91 -0.11 5.56 0.74 -0.83 -5.00 119.66 118.40 1qni s GLN 366 Ca -0.24 -0.00 -0.02 0.00 0.05 0.00 0.00 55.36 55.15 1qni s GLN 366 Cb 0.08 0.42 0.04 0.00 1.10 0.00 0.00 33.01 34.65 1qni s GLN 366 CO 0.71 -0.33 0.01 0.15 -0.55 0.00 0.00 175.29 175.29 1qni s LYS 367 N -1.95 0.62 -0.19 1.67 1.02 -1.26 0.27 119.74 119.91 1qni s LYS 367 Ca -0.03 -0.06 -0.06 0.00 0.02 0.00 0.00 55.97 55.84 1qni s LYS 367 Cb -0.00 -1.34 -0.03 0.00 -0.52 0.00 0.00 37.83 35.93 1qni s LYS 367 CO 0.00 -0.41 0.03 -1.17 -0.92 0.00 0.00 175.35 172.88 1qni s LEU 368 N 1.94 3.47 -0.46 3.17 0.20 -0.35 -4.95 118.68 121.70 1qni s LEU 368 Ca 0.03 -0.10 -0.27 0.00 0.69 0.00 0.00 54.13 54.48 1qni s LEU 368 Cb -0.14 -1.88 -0.03 0.00 -0.43 0.00 0.00 46.19 43.72 1qni s LEU 368 CO -0.06 0.10 1.90 -1.81 -0.29 0.00 0.00 176.35 176.19 1qni s ASP 369 N 0.78 5.46 0.41 3.68 1.01 -1.26 -1.15 116.67 125.61 1qni s ASP 369 Ca 0.02 0.90 -0.21 0.00 0.71 0.00 0.00 52.55 53.96 1qni s ASP 369 Cb -0.14 -2.52 -0.11 0.00 1.01 0.00 0.00 42.92 41.16 1qni s ASP 369 CO 0.02 -2.12 0.93 -0.69 0.21 0.00 0.00 175.17 173.52 1qni s VAL 370 N 8.42 4.39 -1.11 -1.27 1.01 -0.53 -4.94 120.40 126.37 1qni s VAL 370 Ca 0.77 1.49 -0.22 0.00 0.00 0.00 0.00 61.98 64.03 1qni s VAL 370 Cb -0.18 -3.65 0.05 0.00 0.00 0.00 0.00 36.38 32.59 1qni s VAL 370 CO 0.27 -0.25 1.58 -1.10 0.00 0.00 0.00 175.10 175.61 1qni s GLN 371 N -3.02 3.63 -0.08 2.72 1.11 -1.26 -4.52 119.66 118.23 1qni s GLN 371 Ca 0.60 -1.35 -0.04 0.00 0.01 0.00 0.00 55.36 54.58 1qni s GLN 371 Cb -0.10 -5.40 0.01 0.00 -1.01 0.00 0.00 33.01 26.51 1qni s GLN 371 CO 0.15 -2.34 0.07 0.66 0.01 0.00 0.00 175.29 173.84 1qni n TYR 372 N 9.18 -1.63 -2.97 0.91 4.01 -1.26 -4.69 117.16 120.72 1qni n TYR 372 Ca 0.39 0.90 -0.00 0.00 -0.16 0.00 0.00 57.90 59.02 1qni n TYR 372 Cb 0.49 -2.41 -0.00 0.00 -0.31 0.00 0.00 39.34 37.11 1qni n TYR 372 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1qni n GLN 373 N 0.54 -1.80 -2.63 -0.72 3.00 -1.26 -2.91 117.38 111.60 1qni n GLN 373 Ca -0.12 1.72 -0.37 0.00 -0.01 0.00 0.00 57.00 58.22 1qni n GLN 373 Cb 0.19 -2.91 -0.05 0.00 0.00 0.00 0.00 30.24 27.47 1qni n GLN 373 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 1qni s PRO 374 N -1.19 4.36 0.00 -1.09 0.02 -1.26 0.06 135.00 135.90 1qni s PRO 374 Ca -0.01 1.47 0.00 0.00 0.02 0.00 0.00 61.00 62.47 1qni s PRO 374 Cb 0.00 -2.69 0.00 0.00 0.02 0.00 0.00 34.50 31.83 1qni s PRO 374 CO 0.35 0.05 0.00 0.41 -0.33 0.00 0.00 177.00 177.47 1qni n GLY 375 N 0.48 0.63 3.82 0.52 0.00 0.10 -4.17 105.19 106.57 1qni n GLY 375 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1qni n GLY 375 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qni s HIS 376 N 1.24 3.18 0.01 1.61 3.76 -1.24 -4.19 115.29 119.67 1qni s HIS 376 Ca 0.00 1.49 0.05 0.00 -0.15 0.00 0.00 55.06 56.45 1qni s HIS 376 Cb 0.00 -2.92 -0.02 0.00 1.11 0.00 0.00 32.58 30.75 1qni s HIS 376 CO 0.00 -0.81 -0.14 1.21 -0.85 0.00 0.00 174.74 174.15 1qni s ASN 377 N -2.89 1.69 -0.19 1.40 2.47 -1.26 -2.43 114.94 113.74 1qni s ASN 377 Ca 0.62 -0.36 -0.09 0.00 0.42 0.00 0.00 52.86 53.45 1qni s ASN 377 Cb -0.14 -0.15 0.07 0.00 -1.45 0.00 0.00 41.25 39.58 1qni s ASN 377 CO 0.34 0.11 0.44 -2.28 -3.72 0.00 0.00 177.10 171.99 1qni s HIS 378 N -0.59 -0.70 -0.10 0.43 2.46 -0.43 -4.67 115.29 111.70 1qni s HIS 378 Ca 0.04 1.43 -0.01 0.00 0.47 0.00 0.00 55.06 56.99 1qni s HIS 378 Cb -0.07 0.31 -0.03 0.00 -0.13 0.00 0.00 32.58 32.67 1qni s HIS 378 CO 0.00 -0.40 -0.06 0.00 -2.47 0.00 0.00 174.74 171.82 1qni s ALA 379 N 1.76 3.00 -0.19 1.58 0.00 -1.26 0.24 121.76 126.89 1qni s ALA 379 Ca -0.07 -0.86 -0.41 0.00 0.00 0.00 0.00 51.96 50.62 1qni s ALA 379 Cb -0.09 -1.34 -0.17 0.00 0.00 0.00 0.00 23.12 21.51 1qni s ALA 379 CO -0.13 0.46 1.51 -1.13 0.00 0.00 0.00 175.76 176.47 1qni n SER 380 N 2.64 1.61 -1.53 0.00 3.41 0.18 -0.80 113.62 119.12 1qni n SER 380 Ca -0.18 1.12 -0.20 0.00 -0.26 0.00 0.00 58.87 59.36 1qni n SER 380 Cb 0.53 -1.07 -0.08 0.00 -0.26 0.00 0.00 64.21 63.33 1qni n SER 380 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qni n LEU 381 N 3.81 -1.45 0.23 1.04 4.77 -1.26 -3.21 117.00 120.93 1qni n LEU 381 Ca 0.24 0.48 0.07 0.00 -0.03 0.00 0.00 56.01 56.77 1qni n LEU 381 Cb 0.10 -2.73 0.60 0.00 -2.33 0.00 0.00 43.42 39.05 1qni n LEU 381 CO 0.75 -1.01 1.06 0.00 -1.33 0.00 0.00 177.39 176.86 1qni h THR 382 N 0.00 1.03 -0.22 -5.08 1.03 -1.22 -2.33 112.91 106.11 1qni h THR 382 Ca -0.40 -0.10 0.00 0.00 -0.01 0.00 0.00 66.41 65.90 1qni h THR 382 Cb 1.29 0.99 0.00 0.00 -1.07 0.00 0.00 68.15 69.36 1qni h THR 382 CO 0.59 0.03 0.00 -0.62 -0.01 0.00 0.00 175.52 175.51 1qni n GLU 383 N -4.51 1.91 -4.32 0.00 1.02 -1.26 -4.29 120.64 109.19 1qni n GLU 383 Ca -0.02 -0.97 -0.17 0.00 -0.02 0.00 0.00 57.16 55.98 1qni n GLU 383 Cb 0.11 -1.45 -0.10 0.00 -0.02 0.00 0.00 31.44 29.97 1qni n GLU 383 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1qni s SER 384 N -0.66 1.54 0.50 1.62 1.04 -0.89 -4.90 113.70 111.95 1qni s SER 384 Ca 0.17 -1.28 0.15 0.00 0.48 0.00 0.00 55.95 55.47 1qni s SER 384 Cb 0.11 0.08 1.19 0.00 0.10 0.00 0.00 66.02 67.49 1qni s SER 384 CO 0.09 -0.61 2.11 0.03 0.98 0.00 0.00 173.24 175.84 1qni h ARG 385 N 2.45 0.04 -1.40 4.02 3.08 -1.30 -3.06 114.38 118.22 1qni h ARG 385 Ca -0.38 -0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.32 1qni h ARG 385 Cb 1.23 -0.01 -0.15 0.00 0.08 0.00 0.00 29.97 31.12 1qni h ARG 385 CO 0.63 0.06 0.44 -0.25 -1.07 0.00 0.00 179.97 179.78 1qni n ASP 386 N -4.49 6.03 -4.61 7.04 8.00 -1.26 -4.92 116.55 122.33 1qni n ASP 386 Ca -0.02 -3.08 -0.43 0.00 0.71 0.00 0.00 54.79 51.97 1qni n ASP 386 Cb 0.12 -0.99 -0.03 0.00 -0.02 0.00 0.00 41.12 40.20 1qni n ASP 386 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qni s ALA 387 N -1.95 2.92 -0.73 2.24 0.00 -1.14 -4.82 121.76 118.29 1qni s ALA 387 Ca 0.33 0.87 0.25 0.00 0.00 0.00 0.00 51.96 53.41 1qni s ALA 387 Cb 0.26 -4.02 0.62 0.00 0.00 0.00 0.00 23.12 19.98 1qni s ALA 387 CO 0.01 -2.52 1.57 -0.40 0.00 0.00 0.00 175.76 174.42 1qni n ASP 388 N 10.70 0.70 -3.74 0.00 5.68 -1.20 -4.37 116.55 124.31 1qni n ASP 388 Ca 0.27 0.33 -0.25 0.00 -0.50 0.00 0.00 54.79 54.64 1qni n ASP 388 Cb 0.44 -0.31 0.04 0.00 -1.14 0.00 0.00 41.12 40.16 1qni n ASP 388 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qni n GLY 389 N 1.34 -0.43 0.21 6.12 0.00 -0.94 -4.92 105.19 106.57 1qni n GLY 389 Ca 0.05 0.18 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 1qni n GLY 389 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qni n LYS 390 N -4.57 0.53 -4.68 1.61 4.01 -1.26 -3.33 118.16 110.47 1qni n LYS 390 Ca -0.10 0.19 -0.30 0.00 -0.51 0.00 0.00 58.31 57.58 1qni n LYS 390 Cb 0.59 -1.39 -0.13 0.00 -0.51 0.00 0.00 35.03 33.59 1qni n LYS 390 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1qni s TRP 391 N -2.44 2.47 -0.05 2.13 0.52 -1.26 -2.16 118.94 118.15 1qni s TRP 391 Ca -0.32 -0.31 0.03 0.00 0.02 0.00 0.00 56.10 55.51 1qni s TRP 391 Cb 0.11 -1.42 0.01 0.00 -1.15 0.00 0.00 33.47 31.02 1qni s TRP 391 CO 0.46 0.23 -0.13 -1.17 0.02 0.00 0.00 176.95 176.36 1qni s LEU 392 N -1.48 1.77 -0.09 2.99 2.96 0.24 -0.65 118.68 124.41 1qni s LEU 392 Ca 0.14 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.81 1qni s LEU 392 Cb -0.10 -0.79 -0.00 0.00 0.50 0.00 0.00 46.19 45.80 1qni s LEU 392 CO 0.05 0.08 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.23 1qni s VAL 393 N 0.33 2.01 -0.24 1.68 1.01 0.14 0.59 120.40 125.92 1qni s VAL 393 Ca -0.08 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1qni s VAL 393 Cb -0.12 -1.74 0.06 0.00 0.00 0.00 0.00 36.38 34.58 1qni s VAL 393 CO 0.02 0.55 -0.07 -0.69 0.00 0.00 0.00 175.10 174.91 1qni s VAL 394 N 0.29 1.74 -0.53 2.92 1.01 -0.46 -1.31 120.40 124.06 1qni s VAL 394 Ca -0.17 -1.35 -0.19 0.00 0.00 0.00 0.00 61.98 60.27 1qni s VAL 394 Cb -0.17 -1.95 0.07 0.00 0.00 0.00 0.00 36.38 34.32 1qni s VAL 394 CO 0.08 -0.07 0.66 -0.76 0.00 0.00 0.00 175.10 175.01 1qni s LEU 395 N 1.30 5.05 0.20 3.92 1.02 -1.02 -0.91 118.68 128.24 1qni s LEU 395 Ca -0.07 -1.05 -0.08 0.00 0.02 0.00 0.00 54.13 52.95 1qni s LEU 395 Cb -0.19 -2.41 -0.07 0.00 0.02 0.00 0.00 46.19 43.54 1qni s LEU 395 CO -0.06 -0.97 0.50 -0.44 0.02 0.00 0.00 176.35 175.40 1qni s SER 396 N 2.97 6.59 0.00 2.29 0.01 -0.49 0.00 113.70 125.08 1qni s SER 396 Ca 0.15 0.83 0.17 0.00 1.31 0.00 0.00 55.95 58.41 1qni s SER 396 Cb -0.20 -2.19 0.56 0.00 0.21 0.00 0.00 66.02 64.40 1qni s SER 396 CO 0.10 -0.03 1.43 0.29 0.41 0.00 0.00 173.24 175.44 1qni n LYS 397 N -0.05 1.87 -3.82 12.44 4.76 0.11 -2.79 118.16 130.67 1qni n LYS 397 Ca -0.00 -1.32 -0.12 0.00 -2.87 0.00 0.00 58.31 53.99 1qni n LYS 397 Cb 0.52 -1.37 -0.12 0.00 -1.84 0.00 0.00 35.03 32.23 1qni n LYS 397 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1qni s PHE 398 N -1.64 -0.15 -0.02 2.13 0.08 -1.15 -4.93 117.98 112.31 1qni s PHE 398 Ca 0.30 0.35 0.02 0.00 0.12 0.00 0.00 56.93 57.73 1qni s PHE 398 Cb 0.16 0.04 -0.03 0.00 -0.57 0.00 0.00 43.02 42.62 1qni s PHE 398 CO 0.23 -0.13 0.03 -1.13 -0.10 0.00 0.00 175.22 174.12 1qni n SER 399 N 2.69 4.39 0.00 1.36 3.41 -1.25 -4.40 113.62 119.82 1qni n SER 399 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1qni n SER 399 Cb 0.58 0.77 0.00 0.00 -0.26 0.00 0.00 64.21 65.30 1qni n SER 399 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1qni n LYS 400 N -1.91 0.00 -0.14 4.33 5.02 -1.26 0.19 118.16 124.40 1qni n LYS 400 Ca -0.03 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.37 1qni n LYS 400 Cb 0.39 0.00 0.30 0.00 -0.02 0.00 0.00 35.03 35.70 1qni n LYS 400 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1qni n ASP 401 N 5.06 2.30 0.18 4.39 5.75 -1.26 -4.42 116.55 128.56 1qni n ASP 401 Ca 0.00 -1.84 0.04 0.00 -0.01 0.00 0.00 54.79 52.98 1qni n ASP 401 Cb 0.00 -0.18 0.45 0.00 -1.03 0.00 0.00 41.12 40.36 1qni n ASP 401 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1qni h ARG 402 N 2.93 0.09 -4.83 0.11 2.47 -0.67 -3.45 114.38 111.02 1qni h ARG 402 Ca 0.00 -0.02 -0.32 0.00 -1.26 0.00 0.00 59.98 58.38 1qni h ARG 402 Cb 0.65 -0.01 -0.15 0.00 -1.65 0.00 0.00 29.97 28.81 1qni h ARG 402 CO 0.00 0.26 -0.62 -0.06 0.56 0.00 0.00 179.97 180.11 1qni s PHE 403 N -4.66 1.43 0.31 3.04 0.40 -1.26 -5.13 117.98 112.12 1qni s PHE 403 Ca -0.04 -1.18 -0.28 0.00 -0.60 0.00 0.00 56.93 54.83 1qni s PHE 403 Cb 0.16 -0.82 -0.13 0.00 0.51 0.00 0.00 43.02 42.73 1qni s PHE 403 CO 0.71 -0.35 1.12 1.28 0.70 0.00 0.00 175.22 178.69 1qni n LEU 404 N -0.40 2.46 -4.75 -0.37 4.77 -1.26 -4.88 117.00 112.58 1qni n LEU 404 Ca -0.01 1.19 -0.41 0.00 -0.03 0.00 0.00 56.01 56.75 1qni n LEU 404 Cb 0.66 -1.36 -0.02 0.00 -2.33 0.00 0.00 43.42 40.36 1qni n LEU 404 CO 0.36 -1.04 1.15 -2.16 -1.33 0.00 0.00 177.39 174.37 1qni s PRO 405 N -1.62 4.22 -0.07 3.23 0.04 -1.26 -4.91 135.00 134.63 1qni s PRO 405 Ca 0.58 2.38 0.22 0.00 0.04 0.00 0.00 61.00 64.22 1qni s PRO 405 Cb -0.65 -3.08 0.44 0.00 0.04 0.00 0.00 34.50 31.24 1qni s PRO 405 CO 0.60 -0.48 1.18 1.33 0.04 0.00 0.00 177.00 179.67 1qni n VAL 406 N 2.30 0.65 0.00 -0.36 0.24 -1.26 -5.13 118.33 114.76 1qni n VAL 406 Ca 0.07 -1.73 0.00 0.00 -2.04 0.00 0.00 64.34 60.64 1qni n VAL 406 Cb 0.39 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 1qni n VAL 406 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qni n GLY 407 N 0.03 0.77 0.39 7.63 0.00 -1.26 -4.64 105.19 108.12 1qni n GLY 407 Ca 0.10 -2.12 0.18 0.00 0.00 0.00 0.00 46.02 44.18 1qni n GLY 407 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1qni h PRO 408 N 0.00 0.46 -5.92 1.61 0.11 -2.04 -3.37 132.00 122.84 1qni h PRO 408 Ca 0.00 -0.03 -0.60 0.00 0.11 0.00 0.00 66.00 65.48 1qni h PRO 408 Cb 0.00 -0.10 -0.10 0.00 0.11 0.00 0.00 31.00 30.91 1qni h PRO 408 CO 0.00 0.30 0.51 -1.17 -0.21 0.00 0.00 178.00 177.43 1qni s LEU 409 N -9.57 4.05 0.11 2.35 0.20 -1.26 -5.04 118.68 109.52 1qni s LEU 409 Ca -0.09 0.67 0.02 0.00 0.69 0.00 0.00 54.13 55.42 1qni s LEU 409 Cb 0.23 -3.18 -0.04 0.00 -0.43 0.00 0.00 46.19 42.77 1qni s LEU 409 CO 0.79 -0.72 0.22 -1.00 -0.29 0.00 0.00 176.35 175.34 1qni s HIS 410 N 3.19 3.43 0.69 5.38 3.76 -1.26 -4.76 115.29 125.72 1qni s HIS 410 Ca 0.35 0.15 -0.11 0.00 -0.15 0.00 0.00 55.06 55.31 1qni s HIS 410 Cb -0.13 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 31.88 1qni s HIS 410 CO 0.15 0.55 1.06 -1.25 -0.85 0.00 0.00 174.74 174.40 1qni s PRO 411 N -2.83 3.01 0.59 8.40 0.04 -1.26 -4.93 135.00 138.02 1qni s PRO 411 Ca 0.34 0.76 -0.07 0.00 0.04 0.00 0.00 61.00 62.06 1qni s PRO 411 Cb -0.12 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 32.40 1qni s PRO 411 CO 0.27 -0.99 0.93 -1.21 0.04 0.00 0.00 177.00 176.03 1qni s GLU 412 N -5.16 3.08 -0.28 4.56 0.41 0.12 -3.77 118.70 117.66 1qni s GLU 412 Ca 0.57 0.18 0.02 0.00 -0.41 0.00 0.00 54.97 55.34 1qni s GLU 412 Cb -0.13 -2.23 0.08 0.00 -1.78 0.00 0.00 34.13 30.07 1qni s GLU 412 CO 0.54 -0.66 -0.02 1.21 -0.49 0.00 0.00 175.26 175.84 1qni s ASN 413 N -4.27 4.32 -0.35 -0.19 2.47 -1.12 -0.89 114.94 114.91 1qni s ASN 413 Ca 0.54 -1.59 -0.13 0.00 0.42 0.00 0.00 52.86 52.10 1qni s ASN 413 Cb -0.11 -1.38 -0.01 0.00 -1.45 0.00 0.00 41.25 38.30 1qni s ASN 413 CO 0.47 -0.29 0.23 -1.81 -3.72 0.00 0.00 177.10 171.99 1qni s ASP 414 N 1.19 5.98 -0.15 -4.21 1.01 0.14 -1.39 116.67 119.23 1qni s ASP 414 Ca 0.00 -0.53 -0.07 0.00 0.71 0.00 0.00 52.55 52.67 1qni s ASP 414 Cb -0.19 -2.12 -0.04 0.00 1.01 0.00 0.00 42.92 41.58 1qni s ASP 414 CO -0.09 -0.26 0.09 -1.10 0.21 0.00 0.00 175.17 174.02 1qni s GLN 415 N 1.69 3.74 -0.16 8.23 -0.21 -0.09 -0.79 119.66 132.07 1qni s GLN 415 Ca 0.06 -0.26 -0.20 0.00 0.02 0.00 0.00 55.36 54.98 1qni s GLN 415 Cb -0.18 -3.20 -0.03 0.00 1.00 0.00 0.00 33.01 30.60 1qni s GLN 415 CO 0.10 0.49 0.56 -1.17 -2.12 0.00 0.00 175.29 173.15 1qni s LEU 416 N -0.22 4.20 -0.08 2.90 2.96 0.03 -1.36 118.68 127.11 1qni s LEU 416 Ca 0.09 0.83 0.04 0.00 -0.22 0.00 0.00 54.13 54.87 1qni s LEU 416 Cb -0.12 -2.81 0.00 0.00 0.50 0.00 0.00 46.19 43.77 1qni s LEU 416 CO 0.01 -0.15 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.06 1qni s ILE 417 N 1.32 1.73 -0.31 6.68 1.01 0.20 -1.07 121.20 130.75 1qni s ILE 417 Ca 0.28 -0.83 -0.28 0.00 0.00 0.00 0.00 60.65 59.82 1qni s ILE 417 Cb -0.16 -1.51 0.01 0.00 0.01 0.00 0.00 42.46 40.82 1qni s ILE 417 CO 0.11 0.49 1.00 -0.62 0.00 0.00 0.00 174.94 175.92 1qni s ASP 418 N 0.39 6.87 -0.07 3.58 -1.08 -0.73 -0.59 116.67 125.04 1qni s ASP 418 Ca -0.16 0.96 0.11 0.00 -0.52 0.00 0.00 52.55 52.94 1qni s ASP 418 Cb -0.17 -2.51 0.16 0.00 -1.46 0.00 0.00 42.92 38.95 1qni s ASP 418 CO 0.07 -0.80 1.07 2.30 0.52 0.00 0.00 175.17 178.32 1qni n ILE 419 N 5.76 1.43 0.64 4.11 -5.35 -0.92 -2.64 119.36 122.39 1qni n ILE 419 Ca 0.10 -1.64 0.09 0.00 -0.27 0.00 0.00 62.75 61.03 1qni n ILE 419 Cb 0.47 0.10 0.40 0.00 -1.74 0.00 0.00 39.64 38.87 1qni n ILE 419 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1qni n SER 420 N -0.99 0.00 -1.74 7.28 3.41 -1.17 -4.69 113.62 115.72 1qni n SER 420 Ca 0.09 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1qni n SER 420 Cb 0.50 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1qni n SER 420 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qni n GLY 421 N 0.41 2.70 0.08 5.00 0.00 -1.26 -5.01 105.19 107.11 1qni n GLY 421 Ca 0.04 -2.14 -0.07 0.00 0.00 0.00 0.00 46.02 43.86 1qni n GLY 421 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qni h GLU 422 N 0.00 0.03 -5.99 1.61 4.81 -1.96 -3.45 114.58 109.62 1qni h GLU 422 Ca 0.00 -0.04 -0.68 0.00 -0.13 0.00 0.00 59.36 58.51 1qni h GLU 422 Cb 0.00 0.01 -0.22 0.00 0.63 0.00 0.00 28.75 29.17 1qni h GLU 422 CO 0.00 0.96 -0.73 -1.21 -0.73 0.00 0.00 179.01 177.30 1qni s GLU 423 N -2.84 2.85 0.13 1.92 2.02 -1.26 -5.02 118.70 116.50 1qni s GLU 423 Ca 0.00 -0.62 -0.30 0.00 0.02 0.00 0.00 54.97 54.07 1qni s GLU 423 Cb 0.10 -2.56 -0.07 0.00 0.10 0.00 0.00 34.13 31.71 1qni s GLU 423 CO 0.82 0.54 1.14 -1.64 0.02 0.00 0.00 175.26 176.13 1qni s MET 424 N -0.49 4.52 -0.08 1.61 -1.94 -1.26 -4.76 119.30 116.91 1qni s MET 424 Ca 0.07 1.74 -0.01 0.00 -1.71 0.00 0.00 55.69 55.77 1qni s MET 424 Cb -0.12 -3.31 0.03 0.00 2.01 0.00 0.00 34.83 33.44 1qni s MET 424 CO 0.02 -0.07 -0.00 0.15 -0.01 0.00 0.00 175.02 175.11 1qni s LYS 425 N 0.22 0.65 0.37 2.03 1.02 -1.08 -4.99 119.74 117.95 1qni s LYS 425 Ca 0.53 0.07 -0.28 0.00 0.02 0.00 0.00 55.97 56.31 1qni s LYS 425 Cb -0.29 -1.05 -0.11 0.00 -0.52 0.00 0.00 37.83 35.85 1qni s LYS 425 CO 0.33 -0.32 1.42 -0.11 -0.92 0.00 0.00 175.35 175.75 1qni n LEU 426 N 5.13 4.38 0.00 3.17 7.94 -1.26 -1.78 117.00 134.59 1qni n LEU 426 Ca -0.07 1.22 0.00 0.00 -1.11 0.00 0.00 56.01 56.04 1qni n LEU 426 Cb 0.50 -1.58 0.00 0.00 0.53 0.00 0.00 43.42 42.87 1qni n LEU 426 CO 0.11 -0.07 -0.34 0.52 -1.11 0.00 0.00 177.39 176.51 1qni n VAL 427 N 0.37 0.00 -3.75 1.96 0.31 -0.24 -4.88 118.33 112.11 1qni n VAL 427 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.22 1qni n VAL 427 Cb 0.38 -0.39 -0.10 0.00 -0.91 0.00 0.00 33.84 32.82 1qni n VAL 427 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1qni s HIS 428 N -1.67 -0.31 -0.36 3.52 5.65 -1.10 -4.98 115.29 116.03 1qni s HIS 428 Ca 0.00 0.68 -0.05 0.00 0.25 0.00 0.00 55.06 55.94 1qni s HIS 428 Cb 0.00 0.12 0.07 0.00 -1.18 0.00 0.00 32.58 31.59 1qni s HIS 428 CO 0.00 -0.28 0.14 -0.51 -0.65 0.00 0.00 174.74 173.44 1qni s ASP 429 N -0.44 5.28 -0.29 9.88 1.11 -1.26 -0.79 116.67 130.17 1qni s ASP 429 Ca -0.06 -1.45 -0.09 0.00 0.18 0.00 0.00 52.55 51.14 1qni s ASP 429 Cb -0.04 -1.85 -0.02 0.00 1.07 0.00 0.00 42.92 42.08 1qni s ASP 429 CO 0.02 -0.41 0.13 -0.83 1.18 0.00 0.00 175.17 175.27 1qni s GLY 430 N 1.63 1.84 0.05 0.21 0.00 0.03 -4.98 107.32 106.10 1qni s GLY 430 Ca 0.01 -1.26 -0.30 0.00 0.00 0.00 0.00 44.72 43.17 1qni s GLY 430 CO 0.00 0.64 1.00 2.56 0.00 0.00 0.00 173.10 177.30 1qni s PRO 431 N 1.64 4.59 0.09 2.90 0.04 -1.26 -0.68 135.00 142.32 1qni s PRO 431 Ca 0.06 1.47 0.07 0.00 0.04 0.00 0.00 61.00 62.64 1qni s PRO 431 Cb -0.16 -3.42 -0.03 0.00 0.04 0.00 0.00 34.50 30.93 1qni s PRO 431 CO 0.06 0.01 -0.18 0.99 0.04 0.00 0.00 177.00 177.92 1qni s THR 432 N 0.67 1.48 0.46 1.26 2.01 -0.07 -4.94 115.64 116.50 1qni s THR 432 Ca 0.51 -1.48 -0.01 0.00 0.31 0.00 0.00 61.69 61.02 1qni s THR 432 Cb -0.23 -1.39 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 1qni s THR 432 CO 0.29 -0.15 0.69 -0.47 -0.69 0.00 0.00 174.62 174.29 1qni s TYR 433 N -1.29 3.29 -0.26 4.92 5.04 -1.26 0.10 117.35 127.89 1qni s TYR 433 Ca 0.04 0.34 -0.07 0.00 -2.44 0.00 0.00 57.07 54.93 1qni s TYR 433 Cb -0.10 -2.31 0.01 0.00 0.35 0.00 0.00 41.96 39.92 1qni s TYR 433 CO 0.04 -0.35 0.24 0.00 -1.34 0.00 0.00 175.55 174.14 1qni n ALA 434 N -2.11 -1.61 -0.29 3.97 0.00 -1.26 -4.10 120.51 115.10 1qni n ALA 434 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1qni n ALA 434 Cb 0.57 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1qni n ALA 434 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1qni n GLU 435 N -0.76 0.00 -2.05 0.00 2.13 -1.26 -4.17 120.64 114.52 1qni n GLU 435 Ca -0.09 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.43 1qni n GLU 435 Cb 0.27 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.98 1qni n GLU 435 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1qni s PRO 436 N 0.00 3.61 0.00 5.31 0.04 -1.26 -3.37 135.00 139.33 1qni s PRO 436 Ca 0.00 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.69 1qni s PRO 436 Cb 0.00 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1qni s PRO 436 CO 0.00 -0.48 0.00 0.72 0.04 0.00 0.00 177.00 177.28 1qni n HIS 437 N -2.58 0.00 -4.08 0.56 8.25 -1.26 -4.89 115.22 111.22 1qni n HIS 437 Ca 0.05 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.25 1qni n HIS 437 Cb 0.54 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.60 1qni n HIS 437 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1qni s ASP 438 N 0.43 5.55 0.15 0.41 2.15 -0.78 -4.21 116.67 120.37 1qni s ASP 438 Ca 0.00 -0.12 -0.01 0.00 0.43 0.00 0.00 52.55 52.85 1qni s ASP 438 Cb 0.00 -1.46 -0.04 0.00 -0.30 0.00 0.00 42.92 41.12 1qni s ASP 438 CO 0.00 0.06 0.07 0.00 -0.17 0.00 0.00 175.17 175.13 1qni s ILE 440 N -4.07 0.49 0.01 0.00 2.07 -0.60 -4.90 121.20 114.19 1qni s ILE 440 Ca 0.28 -0.24 0.02 0.00 -1.41 0.00 0.00 60.65 59.30 1qni s ILE 440 Cb 0.07 -0.43 -0.04 0.00 0.13 0.00 0.00 42.46 42.20 1qni s ILE 440 CO 0.04 0.15 -0.02 -0.76 -1.91 0.00 0.00 174.94 172.44 1qni s LEU 441 N 0.01 3.41 -0.02 8.50 1.43 -1.26 -0.89 118.68 129.85 1qni s LEU 441 Ca 0.00 -0.07 -0.03 0.00 -1.03 0.00 0.00 54.13 53.01 1qni s LEU 441 Cb -0.04 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.21 1qni s LEU 441 CO -0.00 0.27 0.08 0.68 0.23 0.00 0.00 176.35 177.61 1qni s VAL 442 N -1.08 0.02 0.64 -1.59 -7.23 -0.69 -4.17 120.40 106.30 1qni s VAL 442 Ca 0.19 -0.16 -0.18 0.00 -1.81 0.00 0.00 61.98 60.02 1qni s VAL 442 Cb -0.11 -0.18 -0.01 0.00 0.56 0.00 0.00 36.38 36.64 1qni s VAL 442 CO 0.10 -0.09 1.30 -0.13 -0.31 0.00 0.00 175.10 175.97 1qni s ARG 443 N -0.26 2.56 0.49 4.82 0.52 -1.26 0.25 118.95 126.07 1qni s ARG 443 Ca -0.03 2.09 0.24 0.00 -0.52 0.00 0.00 55.73 57.50 1qni s ARG 443 Cb -0.02 -1.86 1.30 0.00 0.52 0.00 0.00 34.95 34.88 1qni s ARG 443 CO 0.00 -1.60 1.92 -0.09 0.02 0.00 0.00 175.30 175.56 1qni h ARG 444 N 0.58 0.15 0.00 3.54 2.43 -1.00 -1.25 114.38 118.83 1qni h ARG 444 Ca -0.51 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1qni h ARG 444 Cb 1.34 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.85 1qni h ARG 444 CO 0.53 0.10 -0.32 0.38 -1.51 0.00 0.00 179.97 179.15 1qni h ASP 445 N 0.16 0.00 0.25 -3.80 3.04 -1.89 -3.31 116.42 110.88 1qni h ASP 445 Ca 0.37 -0.06 0.00 0.00 -3.24 0.00 0.00 57.03 54.10 1qni h ASP 445 Cb 1.23 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.52 1qni h ASP 445 CO -0.06 0.03 0.00 0.00 -2.04 0.00 0.00 179.24 177.17 1qni n GLN 446 N -2.48 0.49 -4.77 4.15 6.02 -0.47 -4.67 117.38 115.64 1qni n GLN 446 Ca 0.04 0.04 -0.31 0.00 -0.01 0.00 0.00 57.00 56.76 1qni n GLN 446 Cb 0.47 -1.50 -0.17 0.00 1.02 0.00 0.00 30.24 30.07 1qni n GLN 446 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1qni s ILE 447 N -2.34 1.90 -0.44 5.09 -1.09 -1.25 -3.82 121.20 119.26 1qni s ILE 447 Ca 0.27 -0.90 -0.06 0.00 -2.23 0.00 0.00 60.65 57.73 1qni s ILE 447 Cb 0.16 -1.68 0.11 0.00 -1.58 0.00 0.00 42.46 39.47 1qni s ILE 447 CO 0.32 0.52 0.28 -0.54 -1.23 0.00 0.00 174.94 174.29 1qni s LYS 448 N 0.71 2.28 0.34 2.79 1.02 -1.26 -5.04 119.74 120.58 1qni s LYS 448 Ca -0.11 -1.78 -0.08 0.00 0.02 0.00 0.00 55.97 54.02 1qni s LYS 448 Cb -0.16 -3.77 -0.06 0.00 -0.52 0.00 0.00 37.83 33.32 1qni s LYS 448 CO 0.01 -1.13 0.67 0.99 -0.92 0.00 0.00 175.35 174.97 1qni s THR 449 N 1.27 4.88 0.14 2.17 2.01 -1.26 -4.41 115.64 120.45 1qni s THR 449 Ca 0.07 0.40 0.07 0.00 0.31 0.00 0.00 61.69 62.54 1qni s THR 449 Cb -0.25 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 1qni s THR 449 CO -0.02 -0.40 -0.02 -0.54 -0.69 0.00 0.00 174.62 172.95 1qni s LYS 450 N -3.63 2.37 -0.04 4.92 1.02 -0.46 -5.05 119.74 118.87 1qni s LYS 450 Ca 0.48 -1.04 0.13 0.00 0.02 0.00 0.00 55.97 55.56 1qni s LYS 450 Cb -0.10 -2.38 -0.20 0.00 -0.52 0.00 0.00 37.83 34.63 1qni s LYS 450 CO 0.29 0.48 0.24 1.17 -0.92 0.00 0.00 175.35 176.61 1qni n LYS 451 N 0.17 0.78 -3.95 1.68 3.00 -1.26 -4.88 118.16 113.70 1qni n LYS 451 Ca -0.11 -0.10 -0.09 0.00 -0.00 0.00 0.00 58.31 58.02 1qni n LYS 451 Cb 0.54 -1.32 -0.09 0.00 0.00 0.00 0.00 35.03 34.16 1qni n LYS 451 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1qni s ILE 452 N -2.79 0.15 0.41 3.15 -4.36 -1.26 -4.67 121.20 111.84 1qni s ILE 452 Ca -0.05 -1.25 -0.16 0.00 -0.26 0.00 0.00 60.65 58.93 1qni s ILE 452 Cb 0.07 -1.09 -0.09 0.00 1.25 0.00 0.00 42.46 42.61 1qni s ILE 452 CO 0.55 -0.69 0.85 -0.31 0.24 0.00 0.00 174.94 175.58 1qni s TYR 453 N -3.08 3.40 -0.11 1.37 1.51 -1.03 -5.06 117.35 114.35 1qni s TYR 453 Ca -0.01 1.32 -0.10 0.00 -1.01 0.00 0.00 57.07 57.27 1qni s TYR 453 Cb 0.02 -2.64 -0.05 0.00 -0.11 0.00 0.00 41.96 39.18 1qni s TYR 453 CO -0.07 -0.11 0.22 -1.21 -1.11 0.00 0.00 175.55 173.27 1qni s GLU 454 N -3.50 3.75 0.00 -0.62 2.02 -1.26 -4.72 118.70 114.36 1qni s GLU 454 Ca 0.56 0.01 0.00 0.00 0.02 0.00 0.00 54.97 55.56 1qni s GLU 454 Cb -0.10 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.87 1qni s GLU 454 CO 0.23 0.63 0.75 0.54 0.02 0.00 0.00 175.26 177.43 1qni n ARG 455 N 2.35 0.00 -0.24 1.61 5.12 -1.26 -0.69 116.66 123.54 1qni n ARG 455 Ca -0.17 0.27 0.07 0.00 -1.93 0.00 0.00 57.85 56.09 1qni n ARG 455 Cb 0.54 -1.55 0.17 0.00 -1.16 0.00 0.00 32.46 30.46 1qni n ARG 455 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1qni n ASN 456 N -1.25 3.09 -4.77 0.55 2.04 -1.26 -5.03 115.26 108.63 1qni n ASN 456 Ca 0.00 -2.60 -0.40 0.00 -0.44 0.00 0.00 54.58 51.14 1qni n ASN 456 Cb 0.05 -0.36 -0.00 0.00 -2.53 0.00 0.00 39.78 36.93 1qni n ASN 456 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1qni s ASP 457 N -1.71 6.35 0.36 0.53 -1.08 0.13 -4.90 116.67 116.35 1qni s ASP 457 Ca 0.29 2.74 0.27 0.00 -0.52 0.00 0.00 52.55 55.33 1qni s ASP 457 Cb 0.22 -2.65 1.23 0.00 -1.46 0.00 0.00 42.92 40.26 1qni s ASP 457 CO 0.09 -0.83 1.81 -0.65 0.52 0.00 0.00 175.17 176.11 1qni h PRO 458 N 2.81 0.00 0.00 4.34 0.11 -1.96 -3.08 132.00 134.22 1qni h PRO 458 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1qni h PRO 458 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1qni h PRO 458 CO 0.63 0.00 0.00 0.98 -0.21 0.00 0.00 178.00 179.40 1qni n TYR 459 N -2.48 0.00 -2.11 0.65 9.36 -1.26 -2.89 117.16 118.43 1qni n TYR 459 Ca 0.01 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.21 1qni n TYR 459 Cb 0.18 -0.28 -0.02 0.00 -0.63 0.00 0.00 39.34 38.60 1qni n TYR 459 CO 0.00 0.00 0.00 1.97 0.22 0.00 0.00 176.86 179.05 1qni n PHE 460 N -1.28 0.00 -0.14 2.98 1.16 -1.17 -4.93 117.46 114.09 1qni n PHE 460 Ca 0.05 -0.31 0.08 0.00 -1.87 0.00 0.00 57.45 55.40 1qni n PHE 460 Cb 0.08 0.22 0.41 0.00 -1.61 0.00 0.00 39.48 38.57 1qni n PHE 460 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1qni h ALA 461 N 0.23 1.82 -0.18 1.98 0.00 -1.54 0.04 119.26 121.60 1qni h ALA 461 Ca -0.28 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1qni h ALA 461 Cb 1.42 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1qni h ALA 461 CO -0.09 0.06 -0.34 0.66 0.00 0.00 0.00 179.25 179.54 1qni h SER 462 N 0.62 0.39 0.56 0.00 4.64 -1.92 -1.93 113.55 115.92 1qni h SER 462 Ca 0.30 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.44 1qni h SER 462 Cb 0.36 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1qni h SER 462 CO -0.10 0.71 -0.27 0.00 -0.87 0.00 0.00 176.83 176.31 1qni h ARG 464 N -0.90 0.00 -0.18 0.00 0.11 -1.49 0.44 114.38 112.36 1qni h ARG 464 Ca -0.08 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.94 1qni h ARG 464 Cb 0.63 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.71 1qni h ARG 464 CO 0.13 0.02 -0.12 0.00 0.10 0.00 0.00 179.97 180.09 1qni h ALA 465 N 1.98 0.25 -0.24 0.08 0.00 -1.05 -0.07 119.26 120.22 1qni h ALA 465 Ca -0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1qni h ALA 465 Cb 0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1qni h ALA 465 CO 0.00 0.11 -0.28 0.37 0.00 0.00 0.00 179.25 179.45 1qni h GLN 466 N 0.06 0.47 0.00 0.00 5.75 -0.65 -2.33 115.11 118.42 1qni h GLN 466 Ca 0.03 -0.19 0.00 0.00 -0.15 0.00 0.00 58.65 58.35 1qni h GLN 466 Cb 0.63 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.16 1qni h GLN 466 CO 0.03 0.71 -0.01 0.00 -2.65 0.00 0.00 178.83 176.92 1qni h ALA 467 N 1.29 -0.01 -0.41 3.38 0.00 -0.70 -0.91 119.26 121.89 1qni h ALA 467 Ca 0.06 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1qni h ALA 467 Cb 0.71 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 1qni h ALA 467 CO 0.05 -0.51 0.00 1.49 0.00 0.00 0.00 179.25 180.29 1qni h GLU 468 N -0.01 0.11 -0.76 0.00 4.57 -0.66 0.30 114.58 118.13 1qni h GLU 468 Ca 0.00 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1qni h GLU 468 Cb 0.02 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 1qni h GLU 468 CO -0.00 0.07 0.41 0.87 -1.18 0.00 0.00 179.01 179.17 1qni h LYS 469 N 0.11 1.06 0.00 1.92 1.57 -1.16 -1.33 116.57 118.73 1qni h LYS 469 Ca 0.20 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1qni h LYS 469 Cb 0.29 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1qni h LYS 469 CO -0.34 0.78 0.00 -0.25 -0.57 0.00 0.00 179.45 179.07 1qni n ASP 470 N -4.35 0.00 -1.82 0.86 8.00 -0.31 -4.92 116.55 114.02 1qni n ASP 470 Ca 0.08 0.07 -0.11 0.00 0.71 0.00 0.00 54.79 55.54 1qni n ASP 470 Cb 0.11 -0.35 0.03 0.00 -0.02 0.00 0.00 41.12 40.88 1qni n ASP 470 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qni n GLY 471 N 1.26 0.23 3.46 0.44 0.00 0.91 -5.04 105.19 106.45 1qni n GLY 471 Ca 0.12 -0.28 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1qni n GLY 471 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qni s VAL 472 N -3.06 2.59 -0.44 1.61 -7.23 -0.40 -5.02 120.40 108.45 1qni s VAL 472 Ca 0.24 -1.80 -0.06 0.00 -1.81 0.00 0.00 61.98 58.55 1qni s VAL 472 Cb -0.10 -2.22 0.12 0.00 0.56 0.00 0.00 36.38 34.73 1qni s VAL 472 CO 0.29 -0.03 0.27 -0.89 -0.31 0.00 0.00 175.10 174.43 1qni s THR 473 N -1.45 3.68 0.40 5.32 2.01 -1.26 -4.35 115.64 119.99 1qni s THR 473 Ca 0.20 -1.96 0.22 0.00 0.31 0.00 0.00 61.69 60.46 1qni s THR 473 Cb -0.09 -3.48 0.42 0.00 0.01 0.00 0.00 72.50 69.36 1qni s THR 473 CO 0.10 -0.73 1.68 -0.07 -0.69 0.00 0.00 174.62 174.91 1qni h LEU 474 N 8.20 0.37 -0.08 4.42 3.38 -1.96 0.31 115.31 129.95 1qni h LEU 474 Ca -0.16 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1qni h LEU 474 Cb 1.06 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1qni h LEU 474 CO 0.77 -0.08 0.00 -0.62 0.09 0.00 0.00 178.44 178.60 1qni n GLU 475 N -4.75 0.07 0.00 1.13 4.71 -1.26 -4.32 120.64 116.22 1qni n GLU 475 Ca 0.32 0.16 0.00 0.00 -0.01 0.00 0.00 57.16 57.63 1qni n GLU 475 Cb 1.13 -1.59 0.00 0.00 -1.01 0.00 0.00 31.44 29.97 1qni n GLU 475 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1qni n SER 476 N -1.71 0.00 -4.87 1.62 3.41 -0.03 -5.00 113.62 107.04 1qni n SER 476 Ca 0.05 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.35 1qni n SER 476 Cb 0.29 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.20 1qni n SER 476 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1qni s ASP 477 N 0.00 6.58 -0.41 4.04 1.01 0.88 -5.01 116.67 123.76 1qni s ASP 477 Ca 0.00 1.08 0.04 0.00 0.71 0.00 0.00 52.55 54.38 1qni s ASP 477 Cb 0.00 -2.30 0.17 0.00 1.01 0.00 0.00 42.92 41.80 1qni s ASP 477 CO 0.00 -0.28 0.34 0.20 0.21 0.00 0.00 175.17 175.64 1qni s ASN 478 N -2.84 1.44 0.24 0.27 0.01 -1.26 -4.17 114.94 108.63 1qni s ASN 478 Ca 0.50 -2.97 0.11 0.00 -0.71 0.00 0.00 52.86 49.80 1qni s ASN 478 Cb -0.10 -0.37 -0.05 0.00 0.41 0.00 0.00 41.25 41.14 1qni s ASN 478 CO 0.26 -0.18 -0.21 -0.54 -1.51 0.00 0.00 177.10 174.92 1qni s LYS 479 N 0.16 1.58 -0.30 -0.60 1.02 -1.00 -4.97 119.74 115.63 1qni s LYS 479 Ca 0.32 -1.65 0.03 0.00 0.02 0.00 0.00 55.97 54.69 1qni s LYS 479 Cb 0.02 -1.76 0.08 0.00 -0.52 0.00 0.00 37.83 35.66 1qni s LYS 479 CO -0.18 0.35 -0.00 0.08 -0.92 0.00 0.00 175.35 174.68 1qni s VAL 480 N -2.16 2.02 -0.24 3.17 1.01 -1.26 -0.25 120.40 122.69 1qni s VAL 480 Ca 0.25 -1.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.22 1qni s VAL 480 Cb -0.06 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1qni s VAL 480 CO 0.12 -0.38 0.14 -0.63 0.00 0.00 0.00 175.10 174.35 1qni s ILE 481 N 1.09 5.14 -0.22 2.22 1.01 -0.03 -4.97 121.20 125.43 1qni s ILE 481 Ca 0.03 0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.69 1qni s ILE 481 Cb -0.19 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 1qni s ILE 481 CO -0.09 0.34 0.12 -0.13 0.00 0.00 0.00 174.94 175.19 1qni s ARG 482 N 1.17 4.01 -0.61 2.79 0.52 -1.26 -0.59 118.95 124.98 1qni s ARG 482 Ca 0.07 -0.31 0.05 0.00 -0.52 0.00 0.00 55.73 55.02 1qni s ARG 482 Cb -0.14 -3.42 0.20 0.00 0.52 0.00 0.00 34.95 32.11 1qni s ARG 482 CO 0.05 0.11 0.53 -3.47 0.02 0.00 0.00 175.30 172.54 1qni n ASP 483 N 4.09 2.30 0.00 0.23 -0.08 0.24 -5.01 116.55 118.33 1qni n ASP 483 Ca -0.16 -3.07 0.00 0.00 -1.51 0.00 0.00 54.79 50.06 1qni n ASP 483 Cb 0.52 -0.69 0.00 0.00 2.34 0.00 0.00 41.12 43.29 1qni n ASP 483 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qni n GLY 484 N 1.80 1.39 0.14 0.27 0.00 -1.26 -1.14 105.19 106.40 1qni n GLY 484 Ca 0.24 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.52 1qni n GLY 484 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qni n ASN 485 N 10.33 1.16 -4.89 1.61 3.02 -1.26 -4.90 115.26 120.33 1qni n ASN 485 Ca 0.00 -0.98 -0.31 0.00 -0.03 0.00 0.00 54.58 53.26 1qni n ASN 485 Cb 0.00 0.66 -0.05 0.00 -0.61 0.00 0.00 39.78 39.79 1qni n ASN 485 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1qni s LYS 486 N -2.83 3.68 -0.11 3.52 1.02 -0.29 -0.55 119.74 124.18 1qni s LYS 486 Ca 0.13 0.03 -0.04 0.00 0.02 0.00 0.00 55.97 56.11 1qni s LYS 486 Cb 0.17 -2.75 0.05 0.00 -0.52 0.00 0.00 37.83 34.78 1qni s LYS 486 CO 0.74 0.38 0.12 0.08 -0.92 0.00 0.00 175.35 175.75 1qni s VAL 487 N -1.77 -0.18 -0.32 3.17 1.01 -0.75 -0.59 120.40 120.97 1qni s VAL 487 Ca 0.43 0.17 -0.10 0.00 0.00 0.00 0.00 61.98 62.48 1qni s VAL 487 Cb -0.12 -0.39 -0.00 0.00 0.00 0.00 0.00 36.38 35.87 1qni s VAL 487 CO 0.24 -0.01 0.16 -0.13 0.00 0.00 0.00 175.10 175.36 1qni s ARG 488 N 2.22 3.30 -0.22 2.72 0.52 0.24 -1.14 118.95 126.60 1qni s ARG 488 Ca 0.04 -0.75 -0.09 0.00 -0.52 0.00 0.00 55.73 54.42 1qni s ARG 488 Cb -0.14 -3.59 -0.04 0.00 0.52 0.00 0.00 34.95 31.70 1qni s ARG 488 CO -0.07 -0.44 0.10 0.08 0.02 0.00 0.00 175.30 174.99 1qni s VAL 489 N 1.61 4.87 -0.19 3.52 1.01 0.39 -0.85 120.40 130.76 1qni s VAL 489 Ca 0.04 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 1qni s VAL 489 Cb -0.17 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1qni s VAL 489 CO 0.07 0.38 -0.05 -0.31 0.00 0.00 0.00 175.10 175.18 1qni s TYR 490 N 0.98 2.95 0.18 5.22 1.51 0.66 0.50 117.35 129.35 1qni s TYR 490 Ca 0.05 -0.68 0.08 0.00 -1.01 0.00 0.00 57.07 55.51 1qni s TYR 490 Cb -0.14 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 1qni s TYR 490 CO 0.03 -0.34 -0.17 -1.64 -1.11 0.00 0.00 175.55 172.32 1qni s MET 491 N 0.98 1.30 0.19 -0.62 -1.94 0.13 -2.37 119.30 116.98 1qni s MET 491 Ca -0.00 -1.47 0.10 0.00 -1.71 0.00 0.00 55.69 52.62 1qni s MET 491 Cb -0.15 -1.30 -0.04 0.00 2.01 0.00 0.00 34.83 35.35 1qni s MET 491 CO 0.01 0.25 -0.18 -0.08 -0.01 0.00 0.00 175.02 175.01 1qni s THR 492 N -2.28 2.70 -0.01 2.05 -1.32 -1.26 -1.86 115.64 113.66 1qni s THR 492 Ca 0.18 -1.91 0.01 0.00 -1.21 0.00 0.00 61.69 58.76 1qni s THR 492 Cb -0.05 -2.32 0.01 0.00 -1.51 0.00 0.00 72.50 68.63 1qni s THR 492 CO 0.07 -0.13 -0.02 -0.94 -2.21 0.00 0.00 174.62 171.38 1qni s SER 493 N -2.80 0.41 0.03 8.08 1.04 0.38 0.68 113.70 121.53 1qni s SER 493 Ca 0.23 -0.05 -0.24 0.00 0.48 0.00 0.00 55.95 56.37 1qni s SER 493 Cb -0.08 -0.12 0.06 0.00 0.10 0.00 0.00 66.02 65.97 1qni s SER 493 CO 0.12 -0.01 0.55 0.68 0.98 0.00 0.00 173.24 175.56 1qni s VAL 494 N 0.35 0.02 0.00 5.02 -7.23 -0.91 -1.17 120.40 116.49 1qni s VAL 494 Ca -0.03 -0.19 0.00 0.00 -1.81 0.00 0.00 61.98 59.95 1qni s VAL 494 Cb -0.06 -0.97 0.00 0.00 0.56 0.00 0.00 36.38 35.91 1qni s VAL 494 CO -0.01 -0.10 0.00 0.00 -0.31 0.00 0.00 175.10 174.68 1qni n ALA 495 N 0.48 0.00 -0.99 1.32 0.00 -1.26 -0.98 120.51 119.08 1qni n ALA 495 Ca -0.18 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.07 1qni n ALA 495 Cb 0.60 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.07 1qni n ALA 495 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qni n PRO 496 N 1.17 1.92 -3.93 0.00 -0.04 -1.26 -4.90 135.00 127.96 1qni n PRO 496 Ca 0.00 -1.72 -0.10 0.00 -0.04 0.00 0.00 63.50 61.64 1qni n PRO 496 Cb 0.00 -1.71 -0.10 0.00 -0.04 0.00 0.00 33.50 31.64 1qni n PRO 496 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1qni s GLN 497 N -1.84 0.40 0.05 0.54 -0.21 -0.15 -3.99 119.66 114.45 1qni s GLN 497 Ca 0.36 -0.53 -0.05 0.00 0.02 0.00 0.00 55.36 55.17 1qni s GLN 497 Cb 0.27 0.16 -0.05 0.00 1.00 0.00 0.00 33.01 34.39 1qni s GLN 497 CO -0.04 -0.08 0.27 0.71 -2.12 0.00 0.00 175.29 174.03 1qni s TYR 498 N -1.49 3.54 -1.01 0.91 2.02 -1.26 -2.15 117.35 117.92 1qni s TYR 498 Ca -0.15 0.49 0.07 0.00 -0.37 0.00 0.00 57.07 57.11 1qni s TYR 498 Cb -0.09 -1.94 0.29 0.00 -0.40 0.00 0.00 41.96 39.83 1qni s TYR 498 CO 0.00 0.57 1.21 0.41 -1.57 0.00 0.00 175.55 176.18 1qni n GLY 499 N 0.72 -0.73 2.96 0.71 0.00 0.21 -4.54 105.19 104.53 1qni n GLY 499 Ca -0.08 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 1qni n GLY 499 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1qni s MET 500 N -2.99 0.31 -0.02 1.61 -2.45 -1.26 -4.91 119.30 109.59 1qni s MET 500 Ca 0.03 -0.32 0.03 0.00 -1.25 0.00 0.00 55.69 54.18 1qni s MET 500 Cb 0.04 -0.19 0.04 0.00 1.25 0.00 0.00 34.83 35.98 1qni s MET 500 CO 0.12 0.04 0.84 0.25 1.05 0.00 0.00 175.02 177.32 1qni n THR 501 N 2.47 0.62 -3.64 10.11 -2.24 -1.26 -4.85 114.28 115.48 1qni n THR 501 Ca -0.16 -0.67 -0.04 0.00 -2.27 0.00 0.00 64.05 60.90 1qni n THR 501 Cb 0.57 0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 69.32 1qni n THR 501 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qni s ASP 502 N -0.90 -0.30 -0.00 3.42 -1.08 -1.26 -1.73 116.67 114.82 1qni s ASP 502 Ca 0.04 0.54 -0.26 0.00 -0.52 0.00 0.00 52.55 52.35 1qni s ASP 502 Cb 0.04 0.75 0.06 0.00 -1.46 0.00 0.00 42.92 42.31 1qni s ASP 502 CO 0.00 -0.09 0.59 0.72 0.52 0.00 0.00 175.17 176.91 1qni s PHE 503 N 0.53 -0.53 0.05 -5.34 -0.71 -0.99 -4.98 117.98 106.01 1qni s PHE 503 Ca 0.00 0.79 0.05 0.00 -1.04 0.00 0.00 56.93 56.73 1qni s PHE 503 Cb -0.04 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 42.10 1qni s PHE 503 CO -0.11 -0.61 -0.06 0.15 -1.34 0.00 0.00 175.22 173.24 1qni s LYS 504 N -1.74 2.43 0.21 1.99 1.02 -1.26 -0.92 119.74 121.46 1qni s LYS 504 Ca -0.09 -0.83 -0.09 0.00 0.02 0.00 0.00 55.97 54.97 1qni s LYS 504 Cb -0.01 -2.45 -0.01 0.00 -0.52 0.00 0.00 37.83 34.84 1qni s LYS 504 CO 0.04 0.56 0.35 0.14 -0.92 0.00 0.00 175.35 175.53 1qni s VAL 505 N -1.13 0.02 0.02 3.17 -7.23 0.01 -4.95 120.40 110.31 1qni s VAL 505 Ca 0.20 -1.52 0.02 0.00 -1.81 0.00 0.00 61.98 58.87 1qni s VAL 505 Cb -0.11 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 1qni s VAL 505 CO 0.12 -0.08 0.02 -0.54 -0.31 0.00 0.00 175.10 174.30 1qni s LYS 506 N -4.03 2.79 -0.17 4.82 1.02 -1.26 -1.71 119.74 121.20 1qni s LYS 506 Ca 0.24 -0.63 -0.40 0.00 0.02 0.00 0.00 55.97 55.20 1qni s LYS 506 Cb 0.02 -2.68 -0.17 0.00 -0.52 0.00 0.00 37.83 34.48 1qni s LYS 506 CO 0.07 0.61 1.49 -1.91 -0.92 0.00 0.00 175.35 174.69 1qni n GLU 507 N 1.18 0.75 -0.20 1.68 2.13 -0.72 -0.57 120.64 124.90 1qni n GLU 507 Ca -0.13 0.27 0.00 0.00 0.66 0.00 0.00 57.16 57.96 1qni n GLU 507 Cb 0.52 -1.88 0.00 0.00 0.27 0.00 0.00 31.44 30.35 1qni n GLU 507 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qni n GLY 508 N 3.23 1.02 3.76 8.31 0.00 -0.71 -4.70 105.19 116.10 1qni n GLY 508 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 1qni n GLY 508 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qni s ASP 509 N -2.93 5.34 -0.86 1.61 1.01 0.27 -4.59 116.67 116.52 1qni s ASP 509 Ca 0.00 2.43 -0.17 0.00 0.71 0.00 0.00 52.55 55.52 1qni s ASP 509 Cb 0.00 -2.60 0.16 0.00 1.01 0.00 0.00 42.92 41.49 1qni s ASP 509 CO 0.00 -1.49 0.95 -0.70 0.21 0.00 0.00 175.17 174.14 1qni s GLU 510 N -3.18 3.55 -0.07 8.23 2.12 0.29 -0.82 118.70 128.83 1qni s GLU 510 Ca 0.75 -1.98 -0.24 0.00 0.36 0.00 0.00 54.97 53.85 1qni s GLU 510 Cb -0.32 -4.67 -0.04 0.00 0.26 0.00 0.00 34.13 29.37 1qni s GLU 510 CO 0.35 -1.57 0.72 0.08 -0.54 0.00 0.00 175.26 174.30 1qni s VAL 511 N 1.73 5.03 -0.15 3.70 1.01 0.04 -1.82 120.40 129.94 1qni s VAL 511 Ca 0.25 1.48 0.01 0.00 0.00 0.00 0.00 61.98 63.72 1qni s VAL 511 Cb -0.09 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.26 1qni s VAL 511 CO -0.08 0.24 -0.16 -0.89 0.00 0.00 0.00 175.10 174.21 1qni s THR 512 N 0.88 1.70 -0.20 3.92 2.01 -0.29 -0.26 115.64 123.41 1qni s THR 512 Ca 0.38 -0.72 -0.07 0.00 0.31 0.00 0.00 61.69 61.59 1qni s THR 512 Cb -0.18 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 1qni s THR 512 CO 0.18 0.48 0.06 -0.69 -0.69 0.00 0.00 174.62 173.96 1qni s VAL 513 N 1.39 4.60 -0.17 3.82 1.01 -0.91 -0.46 120.40 129.68 1qni s VAL 513 Ca 0.04 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 1qni s VAL 513 Cb -0.13 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 1qni s VAL 513 CO -0.10 0.43 -0.01 -0.31 0.00 0.00 0.00 175.10 175.11 1qni s TYR 514 N 0.70 3.08 -0.11 5.22 1.51 0.18 -2.31 117.35 125.62 1qni s TYR 514 Ca 0.03 -0.25 0.03 0.00 -1.01 0.00 0.00 57.07 55.87 1qni s TYR 514 Cb -0.13 -2.01 0.01 0.00 -0.11 0.00 0.00 41.96 39.72 1qni s TYR 514 CO 0.02 -0.04 -0.19 0.42 -1.11 0.00 0.00 175.55 174.65 1qni s ILE 515 N 0.49 1.78 -0.14 2.71 -1.09 -0.56 0.21 121.20 124.60 1qni s ILE 515 Ca -0.02 -0.83 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 1qni s ILE 515 Cb -0.14 -1.57 -0.01 0.00 -1.58 0.00 0.00 42.46 39.16 1qni s ILE 515 CO 0.02 0.50 -0.15 -0.89 -1.23 0.00 0.00 174.94 173.19 1qni s THR 516 N 0.67 2.76 -0.35 2.92 2.01 -0.78 -2.03 115.64 120.83 1qni s THR 516 Ca -0.12 -0.75 -0.18 0.00 0.31 0.00 0.00 61.69 60.95 1qni s THR 516 Cb -0.16 -2.15 -0.00 0.00 0.01 0.00 0.00 72.50 70.19 1qni s THR 516 CO 0.03 0.52 0.48 0.21 -0.69 0.00 0.00 174.62 175.17 1qni s ASN 517 N 0.62 6.29 0.29 3.53 2.47 -0.43 -0.47 114.94 127.24 1qni s ASN 517 Ca -0.08 -0.11 0.24 0.00 0.42 0.00 0.00 52.86 53.33 1qni s ASN 517 Cb -0.16 -2.25 0.42 0.00 -1.45 0.00 0.00 41.25 37.80 1qni s ASN 517 CO 0.03 -0.47 1.52 -0.07 -3.72 0.00 0.00 177.10 174.39 1qni h LEU 518 N 9.04 0.00 -9.90 3.21 3.38 -1.48 0.16 115.31 119.72 1qni h LEU 518 Ca -0.28 -0.03 -0.56 0.00 0.09 0.00 0.00 57.88 57.10 1qni h LEU 518 Cb 1.13 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.01 1qni h LEU 518 CO 0.76 0.02 0.47 0.47 0.09 0.00 0.00 178.44 180.25 1qni n ASP 519 N -2.65 2.31 -0.06 -0.43 8.00 -1.25 -4.72 116.55 117.74 1qni n ASP 519 Ca 0.04 1.01 0.01 0.00 0.71 0.00 0.00 54.79 56.56 1qni n ASP 519 Cb 0.49 -1.51 0.01 0.00 -0.02 0.00 0.00 41.12 40.09 1qni n ASP 519 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1qni n MET 520 N -0.50 -0.46 -2.49 -1.24 2.81 -1.26 -3.17 117.12 110.80 1qni n MET 520 Ca 0.09 -0.56 -0.42 0.00 -1.81 0.00 0.00 57.70 55.00 1qni n MET 520 Cb 0.43 -1.01 -0.03 0.00 -0.71 0.00 0.00 33.22 31.90 1qni n MET 520 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1qni s VAL 521 N -0.17 4.26 0.60 2.03 1.01 -1.26 -4.98 120.40 121.88 1qni s VAL 521 Ca 0.02 1.62 -0.18 0.00 0.00 0.00 0.00 61.98 63.43 1qni s VAL 521 Cb 0.01 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 1qni s VAL 521 CO 0.02 0.11 0.88 -0.62 0.00 0.00 0.00 175.10 175.50 1qni n GLU 522 N 4.05 0.81 -0.03 2.72 1.02 -1.26 -2.23 120.64 125.71 1qni n GLU 522 Ca 0.08 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 1qni n GLU 522 Cb 0.47 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 1qni n GLU 522 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1qni n ASP 523 N -0.58 0.00 -4.54 1.62 -0.08 -1.26 -4.88 116.55 106.82 1qni n ASP 523 Ca 0.13 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 52.99 1qni n ASP 523 Cb 0.47 -0.85 -0.00 0.00 2.34 0.00 0.00 41.12 43.08 1qni n ASP 523 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1qni n VAL 524 N -2.00 3.89 -3.79 5.18 0.31 -0.95 -4.94 118.33 116.03 1qni n VAL 524 Ca 0.00 -4.02 -0.32 0.00 -0.01 0.00 0.00 64.34 59.98 1qni n VAL 524 Cb 0.00 -2.36 -0.05 0.00 -0.91 0.00 0.00 33.84 30.53 1qni n VAL 524 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1qni s THR 525 N 4.32 5.29 0.30 2.52 2.01 -1.26 -3.90 115.64 124.92 1qni s THR 525 Ca 0.54 -0.06 0.11 0.00 0.31 0.00 0.00 61.69 62.59 1qni s THR 525 Cb 0.04 -3.60 -0.06 0.00 0.01 0.00 0.00 72.50 68.89 1qni s THR 525 CO 0.07 0.19 -0.16 -1.00 -0.69 0.00 0.00 174.62 173.04 1qni s HIS 526 N -1.48 2.32 0.40 4.92 3.76 -0.19 -4.62 115.29 120.41 1qni s HIS 526 Ca 0.34 -0.41 0.05 0.00 -0.15 0.00 0.00 55.06 54.89 1qni s HIS 526 Cb -0.13 -1.15 -0.02 0.00 1.11 0.00 0.00 32.58 32.40 1qni s HIS 526 CO 0.23 0.65 0.18 0.41 -0.85 0.00 0.00 174.74 175.36 1qni n GLY 527 N -0.69 3.15 3.29 -2.22 0.00 -1.26 -0.31 105.19 107.16 1qni n GLY 527 Ca -0.05 -2.07 -0.10 0.00 0.00 0.00 0.00 46.02 43.80 1qni n GLY 527 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1qni s PHE 528 N -3.17 -0.63 -0.12 1.61 5.36 -1.03 -4.31 117.98 115.69 1qni s PHE 528 Ca 0.25 1.34 -0.05 0.00 -0.96 0.00 0.00 56.93 57.51 1qni s PHE 528 Cb 0.01 0.29 0.06 0.00 -0.34 0.00 0.00 43.02 43.04 1qni s PHE 528 CO 0.18 -0.36 0.26 0.00 -1.46 0.00 0.00 175.22 173.84 1qni s MET 530 N 1.89 3.73 0.22 0.00 1.75 -1.21 -1.08 119.30 124.60 1qni s MET 530 Ca -0.04 -0.47 -0.32 0.00 -1.25 0.00 0.00 55.69 53.62 1qni s MET 530 Cb -0.11 -3.66 -0.13 0.00 2.84 0.00 0.00 34.83 33.77 1qni s MET 530 CO -0.09 -0.28 1.54 0.28 -0.65 0.00 0.00 175.02 175.82 1qni n VAL 531 N 5.05 0.53 -1.30 10.11 0.31 -0.45 -2.38 118.33 130.21 1qni n VAL 531 Ca -0.14 -0.13 -0.10 0.00 -0.01 0.00 0.00 64.34 63.96 1qni n VAL 531 Cb 0.51 -1.64 -0.04 0.00 -0.91 0.00 0.00 33.84 31.75 1qni n VAL 531 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1qni n ASN 532 N 2.80 -4.91 -0.08 4.52 3.02 -1.26 -4.79 115.26 114.55 1qni n ASN 532 Ca 0.13 0.26 0.01 0.00 -0.03 0.00 0.00 54.58 54.95 1qni n ASN 532 Cb 0.32 -3.33 0.02 0.00 -0.61 0.00 0.00 39.78 36.18 1qni n ASN 532 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1qni n HIS 533 N -2.48 0.06 -3.88 3.10 8.25 -1.00 -5.01 115.22 114.26 1qni n HIS 533 Ca -0.10 -0.45 -0.28 0.00 -0.26 0.00 0.00 57.72 56.63 1qni n HIS 533 Cb 0.45 -0.04 0.02 0.00 1.12 0.00 0.00 29.99 31.54 1qni n HIS 533 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qni n GLY 534 N -0.32 -0.42 3.15 -1.41 0.00 -1.26 -4.95 105.19 99.98 1qni n GLY 534 Ca 0.01 0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 1qni n GLY 534 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qni s VAL 535 N -3.45 1.28 -0.22 1.61 1.01 -1.26 -5.07 120.40 114.29 1qni s VAL 535 Ca 0.44 -0.73 -0.27 0.00 0.00 0.00 0.00 61.98 61.42 1qni s VAL 535 Cb -0.22 -1.07 0.10 0.00 0.00 0.00 0.00 36.38 35.18 1qni s VAL 535 CO 0.83 0.33 0.88 -0.55 0.00 0.00 0.00 175.10 176.60 1qni s SER 536 N -0.47 -0.56 0.12 3.32 0.15 -1.25 -3.33 113.70 111.69 1qni s SER 536 Ca 0.06 0.94 -0.21 0.00 0.70 0.00 0.00 55.95 57.44 1qni s SER 536 Cb -0.06 0.91 0.06 0.00 -1.71 0.00 0.00 66.02 65.21 1qni s SER 536 CO -0.00 -0.28 0.53 0.00 1.20 0.00 0.00 173.24 174.69 1qni s MET 537 N -0.16 1.16 -0.04 5.44 0.23 -0.53 -3.84 119.30 121.57 1qni s MET 537 Ca -0.01 -0.47 -0.10 0.00 -1.03 0.00 0.00 55.69 54.08 1qni s MET 537 Cb -0.04 0.53 -0.05 0.00 -1.53 0.00 0.00 34.83 33.75 1qni s MET 537 CO -0.00 -0.47 0.29 -2.00 -2.03 0.00 0.00 175.02 170.80 1qni s GLU 538 N -3.43 3.68 -0.39 3.16 2.12 -0.60 -2.48 118.70 120.76 1qni s GLU 538 Ca -0.00 0.12 0.03 0.00 0.36 0.00 0.00 54.97 55.47 1qni s GLU 538 Cb -0.00 -3.17 0.16 0.00 0.26 0.00 0.00 34.13 31.38 1qni s GLU 538 CO -0.10 0.71 0.33 0.42 -0.54 0.00 0.00 175.26 176.08 1qni s ILE 539 N -1.12 0.05 0.81 -3.70 1.01 0.58 -4.65 121.20 114.17 1qni s ILE 539 Ca 0.22 -1.90 -0.12 0.00 0.00 0.00 0.00 60.65 58.85 1qni s ILE 539 Cb -0.14 -1.01 0.08 0.00 0.01 0.00 0.00 42.46 41.40 1qni s ILE 539 CO 0.11 -0.95 1.13 -0.44 0.00 0.00 0.00 174.94 174.79 1qni s SER 540 N 0.72 4.42 -0.20 3.58 0.01 -1.26 -1.02 113.70 119.95 1qni s SER 540 Ca 0.25 1.05 -0.40 0.00 1.31 0.00 0.00 55.95 58.16 1qni s SER 540 Cb -0.09 -1.70 -0.18 0.00 0.21 0.00 0.00 66.02 64.25 1qni s SER 540 CO -0.08 -1.98 1.20 -2.65 0.41 0.00 0.00 173.24 170.13 1qni n PRO 541 N -3.41 0.00 -0.97 12.44 -0.02 -1.25 -0.49 135.00 141.30 1qni n PRO 541 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1qni n PRO 541 Cb 0.58 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 1qni n PRO 541 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1qni n GLN 542 N 2.40 -1.44 -3.47 -0.52 1.13 0.55 -2.47 117.38 113.56 1qni n GLN 542 Ca 0.23 0.36 -0.24 0.00 -1.94 0.00 0.00 57.00 55.41 1qni n GLN 542 Cb 0.02 -4.52 -0.01 0.00 0.11 0.00 0.00 30.24 25.83 1qni n GLN 542 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1qni s GLN 543 N -1.50 3.49 -0.05 -1.09 0.74 0.36 -4.59 119.66 117.01 1qni s GLN 543 Ca 0.00 -0.37 0.02 0.00 0.05 0.00 0.00 55.36 55.06 1qni s GLN 543 Cb 0.00 -2.70 0.01 0.00 1.10 0.00 0.00 33.01 31.42 1qni s GLN 543 CO 0.00 0.20 -0.09 0.99 -0.55 0.00 0.00 175.29 175.84 1qni s THR 544 N -2.23 0.89 0.03 -0.34 2.01 -1.26 -1.31 115.64 113.43 1qni s THR 544 Ca 0.39 -0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1qni s THR 544 Cb -0.10 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.56 1qni s THR 544 CO 0.34 0.30 -0.04 0.00 -0.69 0.00 0.00 174.62 174.53 1qni s ALA 545 N 0.61 0.23 0.04 7.40 0.00 -0.86 -4.68 121.76 124.49 1qni s ALA 545 Ca -0.11 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.19 1qni s ALA 545 Cb -0.14 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 1qni s ALA 545 CO 0.02 -0.16 -0.08 -1.54 0.00 0.00 0.00 175.76 174.00 1qni s SER 546 N -1.63 0.85 -0.04 0.00 1.04 -1.26 -1.50 113.70 111.16 1qni s SER 546 Ca -0.13 -0.54 -0.01 0.00 0.48 0.00 0.00 55.95 55.75 1qni s SER 546 Cb -0.08 0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.10 1qni s SER 546 CO -0.02 -0.20 0.07 0.54 0.98 0.00 0.00 173.24 174.62 1qni s VAL 547 N -1.35 -0.09 0.03 5.02 0.11 -0.98 -1.50 120.40 121.64 1qni s VAL 547 Ca -0.10 0.29 0.01 0.00 -2.93 0.00 0.00 61.98 59.25 1qni s VAL 547 Cb -0.10 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.57 1qni s VAL 547 CO 0.00 0.12 0.09 0.28 -3.33 0.00 0.00 175.10 172.26 1qni s THR 548 N 1.52 4.70 0.21 5.04 -1.32 -1.26 -2.13 115.64 122.40 1qni s THR 548 Ca -0.04 -0.52 -0.20 0.00 -1.21 0.00 0.00 61.69 59.71 1qni s THR 548 Cb -0.12 -3.20 0.04 0.00 -1.51 0.00 0.00 72.50 67.71 1qni s THR 548 CO -0.04 0.27 0.61 0.72 -2.21 0.00 0.00 174.62 173.96 1qni s PHE 549 N -1.27 -0.28 -0.21 9.09 -0.12 0.65 -4.99 117.98 120.85 1qni s PHE 549 Ca 0.26 -0.05 -0.14 0.00 -0.05 0.00 0.00 56.93 56.95 1qni s PHE 549 Cb -0.12 0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 1qni s PHE 549 CO 0.17 -0.99 0.30 0.99 -0.05 0.00 0.00 175.22 175.65 1qni s THR 550 N -3.84 5.27 0.18 -4.49 2.01 -1.26 -0.78 115.64 112.72 1qni s THR 550 Ca 0.07 0.50 -0.32 0.00 0.31 0.00 0.00 61.69 62.25 1qni s THR 550 Cb -0.02 -3.64 -0.12 0.00 0.01 0.00 0.00 72.50 68.73 1qni s THR 550 CO -0.03 0.30 1.72 0.00 -0.69 0.00 0.00 174.62 175.92 1qni n ALA 551 N 4.28 2.46 -1.00 7.40 0.00 0.00 -4.91 120.51 128.74 1qni n ALA 551 Ca -0.11 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1qni n ALA 551 Cb 0.51 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 17.46 1qni n ALA 551 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qni n GLY 552 N 3.92 -1.11 3.72 0.00 0.00 -1.26 -1.74 105.19 108.72 1qni n GLY 552 Ca 0.17 -1.47 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 1qni n GLY 552 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qni s LYS 553 N 0.00 1.95 0.43 1.61 -2.85 -1.26 -4.10 119.74 115.52 1qni s LYS 553 Ca 0.00 1.71 -0.25 0.00 -1.00 0.00 0.00 55.97 56.43 1qni s LYS 553 Cb 0.00 -1.82 -0.10 0.00 -2.06 0.00 0.00 37.83 33.86 1qni s LYS 553 CO 0.00 -1.97 1.23 -0.35 0.10 0.00 0.00 175.35 174.36 1qni n PRO 554 N -2.99 1.81 -1.49 1.78 -0.04 -1.26 -4.89 135.00 127.92 1qni n PRO 554 Ca 0.13 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 1qni n PRO 554 Cb 0.51 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1qni n PRO 554 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qni n GLY 555 N 0.87 -0.13 3.82 0.55 0.00 0.13 -4.98 105.19 105.45 1qni n GLY 555 Ca 0.07 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 1qni n GLY 555 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qni s VAL 556 N -1.95 4.94 -0.10 1.61 1.01 -1.26 -1.66 120.40 122.99 1qni s VAL 556 Ca 0.00 0.96 -0.03 0.00 0.00 0.00 0.00 61.98 62.91 1qni s VAL 556 Cb 0.00 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.65 1qni s VAL 556 CO 0.00 0.56 0.09 -0.31 0.00 0.00 0.00 175.10 175.45 1qni s TYR 557 N -1.04 0.05 0.37 5.22 2.02 -0.34 -5.00 117.35 118.63 1qni s TYR 557 Ca 0.25 0.12 -0.22 0.00 -0.37 0.00 0.00 57.07 56.85 1qni s TYR 557 Cb -0.18 -0.51 -0.10 0.00 -0.40 0.00 0.00 41.96 40.77 1qni s TYR 557 CO 0.15 -0.33 0.91 -1.58 -1.57 0.00 0.00 175.55 173.13 1qni s TRP 558 N 2.19 3.46 0.05 2.71 0.52 -1.26 0.34 118.94 126.95 1qni s TRP 558 Ca 0.04 1.61 0.07 0.00 0.02 0.00 0.00 56.10 57.83 1qni s TRP 558 Cb -0.14 -2.82 -0.03 0.00 -1.15 0.00 0.00 33.47 29.33 1qni s TRP 558 CO -0.06 0.05 -0.18 1.52 0.02 0.00 0.00 176.95 178.29 1qni s TYR 559 N -1.93 1.59 0.17 -1.98 -0.85 -0.46 -1.34 117.35 112.55 1qni s TYR 559 Ca 0.56 -0.38 -0.11 0.00 -0.52 0.00 0.00 57.07 56.62 1qni s TYR 559 Cb -0.13 -0.93 0.00 0.00 0.38 0.00 0.00 41.96 41.29 1qni s TYR 559 CO 0.17 0.09 0.34 1.52 -1.52 0.00 0.00 175.55 176.16 1qni s TYR 560 N -0.91 0.24 0.05 -3.49 1.13 -0.24 -1.37 117.35 112.77 1qni s TYR 560 Ca 0.05 -0.60 -0.29 0.00 -1.41 0.00 0.00 57.07 54.81 1qni s TYR 560 Cb -0.09 0.07 -0.05 0.00 -1.10 0.00 0.00 41.96 40.79 1qni s TYR 560 CO 0.02 -0.76 0.93 0.00 -2.51 0.00 0.00 175.55 173.23 1qni n ASN 562 N 3.25 2.42 -4.18 0.00 2.04 -1.26 -4.84 115.26 112.68 1qni n ASN 562 Ca 0.03 -1.71 -0.38 0.00 -0.44 0.00 0.00 54.58 52.08 1qni n ASN 562 Cb 0.50 -0.10 -0.11 0.00 -2.53 0.00 0.00 39.78 37.54 1qni n ASN 562 CO 0.00 0.00 0.00 0.26 -0.44 0.00 0.00 177.26 177.08 1qni s TRP 563 N -1.00 3.46 -0.22 -2.53 0.51 -1.26 -4.93 118.94 112.97 1qni s TRP 563 Ca 0.19 -2.04 -0.39 0.00 -2.12 0.00 0.00 56.10 51.73 1qni s TRP 563 Cb 0.11 -3.10 -0.15 0.00 -0.81 0.00 0.00 33.47 29.52 1qni s TRP 563 CO 0.16 -0.93 1.71 0.34 -0.51 0.00 0.00 176.95 177.72 1qni n PHE 564 N 4.74 2.01 -0.19 -1.98 -0.00 -1.26 -4.61 117.46 116.17 1qni n PHE 564 Ca -0.06 0.51 0.00 0.00 -0.00 0.00 0.00 57.45 57.89 1qni n PHE 564 Cb 0.42 -2.46 0.00 0.00 -0.00 0.00 0.00 39.48 37.44 1qni n PHE 564 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1qni s HIS 566 N -0.12 -0.38 0.43 0.00 5.65 -1.26 -4.97 115.29 114.64 1qni s HIS 566 Ca 0.00 0.19 0.40 0.00 0.25 0.00 0.00 55.06 55.89 1qni s HIS 566 Cb 0.00 0.56 2.05 0.00 -1.18 0.00 0.00 32.58 34.01 1qni s HIS 566 CO 0.00 -0.71 2.20 0.00 -0.65 0.00 0.00 174.74 175.58 1qni h ALA 567 N 2.00 1.00 -0.53 1.58 0.00 -2.00 -1.27 119.26 120.04 1qni h ALA 567 Ca -0.26 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1qni h ALA 567 Cb 1.26 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 1qni h ALA 567 CO 0.32 0.00 0.12 1.28 0.00 0.00 0.00 179.25 180.97 1qni n LEU 568 N -2.97 5.14 -0.14 0.00 4.77 -1.26 -4.73 117.00 117.80 1qni n LEU 568 Ca -0.02 -3.23 -0.12 0.00 -0.03 0.00 0.00 56.01 52.61 1qni n LEU 568 Cb 0.12 -0.67 -0.08 0.00 -2.33 0.00 0.00 43.42 40.46 1qni n LEU 568 CO 0.20 0.83 0.53 -0.74 -1.33 0.00 0.00 177.39 176.88 1qni h HIS 569 N 2.25 -1.54 -1.28 -1.77 2.76 -1.58 -0.59 115.15 113.40 1qni h HIS 569 Ca 0.16 0.08 0.37 0.00 -2.20 0.00 0.00 60.37 58.79 1qni h HIS 569 Cb 1.95 0.73 -0.08 0.00 1.55 0.00 0.00 27.41 31.57 1qni h HIS 569 CO 1.01 -0.47 0.89 0.52 -1.30 0.00 0.00 177.93 178.57 1qni h MET 570 N -0.37 0.11 -0.00 5.26 2.86 -1.85 0.67 114.93 121.60 1qni h MET 570 Ca 0.10 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1qni h MET 570 Cb 0.59 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1qni h MET 570 CO -0.60 0.07 -0.22 0.39 1.06 0.00 0.00 176.91 177.61 1qni n GLU 571 N -4.34 0.54 -2.40 1.72 4.71 -0.25 -4.63 120.64 115.99 1qni n GLU 571 Ca 0.30 -0.25 -0.37 0.00 -0.01 0.00 0.00 57.16 56.83 1qni n GLU 571 Cb 1.29 -1.49 -0.03 0.00 -1.01 0.00 0.00 31.44 30.20 1qni n GLU 571 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 177.13 178.63 1qni s MET 572 N -2.63 3.35 0.10 3.49 1.75 0.23 -4.85 119.30 120.74 1qni s MET 572 Ca 0.23 -1.17 0.02 0.00 -1.25 0.00 0.00 55.69 53.51 1qni s MET 572 Cb 0.19 -5.33 -0.01 0.00 2.84 0.00 0.00 34.83 32.53 1qni s MET 572 CO 0.54 -2.67 0.10 1.33 -0.65 0.00 0.00 175.02 173.67 1qni n VAL 573 N 7.08 0.00 -3.82 10.11 0.24 -1.26 -2.32 118.33 128.36 1qni n VAL 573 Ca 0.40 -0.67 -0.01 0.00 -2.04 0.00 0.00 64.34 62.02 1qni n VAL 573 Cb 0.48 0.35 0.01 0.00 -1.47 0.00 0.00 33.84 33.21 1qni n VAL 573 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1qni s GLY 574 N -1.67 -0.14 -0.03 7.63 0.00 -0.47 -4.73 107.32 107.91 1qni s GLY 574 Ca 0.11 0.09 0.01 0.00 0.00 0.00 0.00 44.72 44.93 1qni s GLY 574 CO 0.08 2.14 -0.03 0.50 0.00 0.00 0.00 173.10 175.79 1qni s ARG 575 N -2.40 0.61 -0.24 2.90 0.52 -0.71 -1.35 118.95 118.28 1qni s ARG 575 Ca 0.20 -0.05 -0.09 0.00 -0.52 0.00 0.00 55.73 55.26 1qni s ARG 575 Cb 0.00 -0.67 -0.04 0.00 0.52 0.00 0.00 34.95 34.75 1qni s ARG 575 CO 0.01 -0.08 0.13 1.41 0.02 0.00 0.00 175.30 176.79 1qni s MET 576 N 0.85 3.93 -0.37 3.54 -2.45 0.15 -2.35 119.30 122.60 1qni s MET 576 Ca -0.10 -0.34 -0.12 0.00 -1.25 0.00 0.00 55.69 53.88 1qni s MET 576 Cb -0.13 -3.48 0.02 0.00 1.25 0.00 0.00 34.83 32.49 1qni s MET 576 CO -0.00 -0.03 0.22 -0.51 1.05 0.00 0.00 175.02 175.75 1qni s LEU 577 N 1.27 4.74 -0.29 4.11 1.43 -0.10 -1.20 118.68 128.64 1qni s LEU 577 Ca 0.06 -0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 52.16 1qni s LEU 577 Cb -0.14 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 1qni s LEU 577 CO 0.06 -0.37 0.18 -0.69 0.23 0.00 0.00 176.35 175.75 1qni s VAL 578 N 1.60 5.06 0.21 -1.59 1.01 -0.66 -0.81 120.40 125.20 1qni s VAL 578 Ca 0.03 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.05 1qni s VAL 578 Cb -0.19 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1qni s VAL 578 CO 0.08 0.19 0.03 -1.83 0.00 0.00 0.00 175.10 173.57 1qni s GLU 579 N 1.71 2.48 0.27 2.72 -1.05 -0.70 0.18 118.70 124.32 1qni s GLU 579 Ca 0.06 -1.16 -0.30 0.00 -0.15 0.00 0.00 54.97 53.43 1qni s GLU 579 Cb -0.16 -2.36 -0.14 0.00 -0.44 0.00 0.00 34.13 31.03 1qni s GLU 579 CO 0.09 0.43 1.23 0.00 0.95 0.00 0.00 175.26 177.96 1qni n ALA 580 N -0.46 0.52 1.06 -0.84 0.00 -1.26 -1.75 120.51 117.78 1qni n ALA 580 Ca -0.09 0.40 0.09 0.00 0.00 0.00 0.00 53.44 53.84 1qni n ALA 580 Cb 0.56 -2.16 0.50 0.00 0.00 0.00 0.00 19.45 18.36 1qni n ALA 580 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50