#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nya s ALA 2 N 0.00 2.50 0.33 -1.84 0.00 -1.26 -5.00 121.76 116.49 2nya s ALA 2 Ca 0.00 0.35 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 2nya s ALA 2 Cb 0.00 -3.26 -0.12 0.00 0.00 0.00 0.00 23.12 19.74 2nya s ALA 2 CO 0.00 -1.31 1.53 -0.89 0.00 0.00 0.00 175.76 175.09 2nya n ILE 3 N -2.78 1.46 -3.58 0.00 5.41 -1.26 -4.86 119.36 113.74 2nya n ILE 3 Ca 0.09 -0.36 -0.39 0.00 1.00 0.00 0.00 62.75 63.09 2nya n ILE 3 Cb 0.53 -1.92 -0.11 0.00 -0.71 0.00 0.00 39.64 37.42 2nya n ILE 3 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2nya s LYS 4 N -1.21 3.81 -0.21 0.38 2.20 0.87 -4.88 119.74 120.70 2nya s LYS 4 Ca 0.59 -0.41 -0.10 0.00 -0.36 0.00 0.00 55.97 55.69 2nya s LYS 4 Cb -0.50 -3.68 -0.05 0.00 -1.51 0.00 0.00 37.83 32.09 2nya s LYS 4 CO 0.55 -0.25 0.13 -1.58 -0.36 0.00 0.00 175.35 173.84 2nya s TRP 5 N 1.74 3.33 0.03 4.03 0.52 -1.25 0.39 118.94 127.73 2nya s TRP 5 Ca 0.07 0.21 -0.01 0.00 0.02 0.00 0.00 56.10 56.38 2nya s TRP 5 Cb -0.16 -2.19 -0.02 0.00 -1.15 0.00 0.00 33.47 29.94 2nya s TRP 5 CO 0.10 0.15 -0.01 0.34 0.02 0.00 0.00 176.95 177.56 2nya s ASP 6 N 0.69 0.27 0.81 2.95 2.15 -0.08 -4.90 116.67 118.56 2nya s ASP 6 Ca 0.07 -0.58 -0.11 0.00 0.43 0.00 0.00 52.55 52.36 2nya s ASP 6 Cb -0.12 0.14 0.08 0.00 -0.30 0.00 0.00 42.92 42.72 2nya s ASP 6 CO 0.01 -0.39 1.11 -1.59 -0.17 0.00 0.00 175.17 174.15 2nya s LYS 7 N -2.06 1.90 -0.23 4.34 -2.85 -1.26 -0.24 119.74 119.34 2nya s LYS 7 Ca -0.10 1.32 -0.29 0.00 -1.00 0.00 0.00 55.97 55.89 2nya s LYS 7 Cb -0.05 -1.85 0.16 0.00 -2.06 0.00 0.00 37.83 34.03 2nya s LYS 7 CO -0.03 -1.93 1.18 0.00 0.10 0.00 0.00 175.35 174.67 2nya s ALA 8 N -2.77 -2.04 0.51 0.59 0.00 -0.67 -4.41 121.76 112.97 2nya s ALA 8 Ca 0.64 1.74 -0.17 0.00 0.00 0.00 0.00 51.96 54.16 2nya s ALA 8 Cb -0.19 -1.19 -0.08 0.00 0.00 0.00 0.00 23.12 21.66 2nya s ALA 8 CO 0.56 -0.26 0.99 -1.25 0.00 0.00 0.00 175.76 175.80 2nya s PRO 9 N -0.87 3.90 0.56 0.00 0.04 -1.26 -0.69 135.00 136.68 2nya s PRO 9 Ca 0.04 1.02 -0.21 0.00 0.04 0.00 0.00 61.00 61.89 2nya s PRO 9 Cb -0.01 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 2nya s PRO 9 CO -0.04 -0.32 1.24 0.00 0.04 0.00 0.00 177.00 177.92 2nya h ARG 11 N 1.15 0.00 0.00 0.00 9.65 -1.94 -3.45 114.38 119.79 2nya h ARG 11 Ca -0.50 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 2nya h ARG 11 Cb 1.32 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.90 2nya h ARG 11 CO 0.55 0.00 0.00 1.19 2.80 0.00 0.00 179.97 184.51 2nya n PHE 12 N -2.43 0.00 -1.38 2.20 0.99 -1.26 -4.78 117.46 110.80 2nya n PHE 12 Ca 0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.18 2nya n PHE 12 Cb 0.25 0.00 0.15 0.00 -1.00 0.00 0.00 39.48 38.88 2nya n PHE 12 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2nya n GLY 14 N -1.72 -0.44 0.19 0.00 0.00 0.20 -2.64 105.19 100.77 2nya n GLY 14 Ca 0.06 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2nya n GLY 14 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2nya h THR 15 N 0.00 1.19 -0.60 2.61 2.02 -1.84 -2.63 112.91 113.66 2nya h THR 15 Ca 0.00 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.58 2nya h THR 15 Cb 0.03 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2nya h THR 15 CO 0.00 0.21 0.00 0.61 0.37 0.00 0.00 175.52 176.71 2nya n GLY 16 N -0.76 0.76 3.60 2.16 0.00 -1.08 -4.63 105.19 105.24 2nya n GLY 16 Ca -0.00 -0.73 -0.47 0.00 0.00 0.00 0.00 46.02 44.81 2nya n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nya s GLY 18 N -0.04 2.87 0.03 0.00 0.00 -1.26 -1.09 107.32 107.84 2nya s GLY 18 Ca 0.70 0.69 0.02 0.00 0.00 0.00 0.00 44.72 46.12 2nya s GLY 18 CO 0.53 1.17 -0.07 0.14 0.00 0.00 0.00 173.10 174.87 2nya s VAL 19 N -1.49 0.49 -0.25 1.40 1.01 0.14 -1.88 120.40 119.82 2nya s VAL 19 Ca 0.51 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 2nya s VAL 19 Cb -0.24 -0.55 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 2nya s VAL 19 CO 0.30 -0.33 0.01 -0.76 0.00 0.00 0.00 175.10 174.32 2nya s LEU 20 N -1.39 3.27 -0.18 3.92 1.43 0.78 -1.67 118.68 124.84 2nya s LEU 20 Ca -0.09 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.37 2nya s LEU 20 Cb -0.09 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 2nya s LEU 20 CO 0.00 -0.08 0.24 -0.69 0.23 0.00 0.00 176.35 176.05 2nya s VAL 21 N 1.49 5.34 -0.26 -1.59 1.01 0.67 -1.59 120.40 125.46 2nya s VAL 21 Ca 0.04 0.42 -0.07 0.00 0.00 0.00 0.00 61.98 62.37 2nya s VAL 21 Cb -0.15 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 2nya s VAL 21 CO -0.01 0.39 0.06 -0.83 0.00 0.00 0.00 175.10 174.72 2nya s GLY 22 N 0.53 1.76 0.05 4.51 0.00 -0.58 -0.90 107.32 112.68 2nya s GLY 22 Ca 0.13 -1.25 0.07 0.00 0.00 0.00 0.00 44.72 43.68 2nya s GLY 22 CO 0.02 0.56 -0.17 -0.51 0.00 0.00 0.00 173.10 173.00 2nya s THR 23 N 1.56 2.86 -0.12 0.90 -4.23 0.16 -0.20 115.64 116.57 2nya s THR 23 Ca 0.05 -1.21 -0.05 0.00 -1.18 0.00 0.00 61.69 59.31 2nya s THR 23 Cb -0.16 -2.22 0.06 0.00 1.34 0.00 0.00 72.50 71.52 2nya s THR 23 CO 0.02 0.30 0.24 -1.58 -0.54 0.00 0.00 174.62 173.07 2nya s GLN 24 N -1.55 0.14 -1.27 3.99 0.74 0.73 -0.09 119.66 122.35 2nya s GLN 24 Ca 0.15 0.68 -0.01 0.00 0.05 0.00 0.00 55.36 56.23 2nya s GLN 24 Cb -0.11 -0.09 0.00 0.00 1.10 0.00 0.00 33.01 33.92 2nya s GLN 24 CO 0.06 -0.26 0.87 1.04 -0.55 0.00 0.00 175.29 176.45 2nya n GLN 25 N 5.13 -5.88 -1.08 1.67 6.02 -1.26 -2.00 117.38 119.98 2nya n GLN 25 Ca -0.10 0.73 -0.03 0.00 -0.01 0.00 0.00 57.00 57.60 2nya n GLN 25 Cb 0.50 -5.54 -0.01 0.00 1.02 0.00 0.00 30.24 26.21 2nya n GLN 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nya n GLY 26 N -1.40 0.50 3.33 1.08 0.00 -1.26 -5.02 105.19 102.42 2nya n GLY 26 Ca -0.27 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 2nya n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nya s ARG 27 N -1.44 1.26 -0.18 1.61 0.52 -0.85 -4.53 118.95 115.35 2nya s ARG 27 Ca 0.00 -1.31 -0.29 0.00 -0.52 0.00 0.00 55.73 53.61 2nya s ARG 27 Cb 0.00 -1.51 -0.01 0.00 0.52 0.00 0.00 34.95 33.96 2nya s ARG 27 CO 0.00 0.34 1.21 0.08 0.02 0.00 0.00 175.30 176.95 2nya s VAL 28 N -1.47 4.37 -0.03 3.52 1.01 -1.26 -0.19 120.40 126.35 2nya s VAL 28 Ca 0.12 1.66 0.03 0.00 0.00 0.00 0.00 61.98 63.79 2nya s VAL 28 Cb -0.08 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2nya s VAL 28 CO 0.06 -0.14 0.07 1.33 0.00 0.00 0.00 175.10 176.42 2nya n VAL 29 N 5.35 0.00 -4.02 2.92 0.24 0.72 -4.88 118.33 118.66 2nya n VAL 29 Ca 0.13 -0.13 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 2nya n VAL 29 Cb 0.45 0.54 -0.09 0.00 -1.47 0.00 0.00 33.84 33.27 2nya n VAL 29 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2nya s ALA 30 N -2.03 0.30 -0.03 2.33 0.00 -0.90 -4.98 121.76 116.45 2nya s ALA 30 Ca -0.01 -1.04 -0.15 0.00 0.00 0.00 0.00 51.96 50.76 2nya s ALA 30 Cb 0.02 0.51 0.03 0.00 0.00 0.00 0.00 23.12 23.68 2nya s ALA 30 CO 0.12 -0.47 0.33 0.00 0.00 0.00 0.00 175.76 175.74 2nya s GLN 32 N -1.12 0.47 0.25 0.00 -1.52 -0.62 -4.98 119.66 112.12 2nya s GLN 32 Ca -0.12 0.08 -0.31 0.00 -1.95 0.00 0.00 55.36 53.06 2nya s GLN 32 Cb -0.05 0.21 -0.13 0.00 -0.22 0.00 0.00 33.01 32.82 2nya s GLN 32 CO 0.04 -0.10 1.36 0.41 -0.25 0.00 0.00 175.29 176.75 2nya n GLY 33 N 2.15 0.67 3.60 3.09 0.00 -1.25 -0.16 105.19 113.29 2nya n GLY 33 Ca -0.17 0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 2nya n GLY 33 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2nya s ASP 34 N 0.17 6.51 0.51 1.61 3.68 -0.79 -4.60 116.67 123.77 2nya s ASP 34 Ca 0.67 0.67 0.32 0.00 2.13 0.00 0.00 52.55 56.34 2nya s ASP 34 Cb -0.66 -2.54 1.45 0.00 -1.45 0.00 0.00 42.92 39.72 2nya s ASP 34 CO 0.52 -1.32 1.80 -0.65 0.13 0.00 0.00 175.17 175.65 2nya h PRO 35 N 9.87 0.08 -0.01 4.34 0.11 -1.88 -2.05 132.00 142.46 2nya h PRO 35 Ca -0.25 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2nya h PRO 35 Cb 1.08 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2nya h PRO 35 CO 1.10 0.05 -0.48 -0.25 -0.21 0.00 0.00 178.00 178.22 2nya n ASP 36 N -4.29 1.35 -4.63 -2.05 8.00 -1.26 -4.26 116.55 109.41 2nya n ASP 36 Ca 0.25 -1.07 -0.43 0.00 0.71 0.00 0.00 54.79 54.25 2nya n ASP 36 Cb 1.14 0.41 -0.02 0.00 -0.02 0.00 0.00 41.12 42.63 2nya n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nya s ALA 37 N -2.62 3.37 0.56 2.24 0.00 -0.81 -4.92 121.76 119.57 2nya s ALA 37 Ca 0.18 0.03 0.25 0.00 0.00 0.00 0.00 51.96 52.43 2nya s ALA 37 Cb 0.18 -3.77 1.51 0.00 0.00 0.00 0.00 23.12 21.04 2nya s ALA 37 CO 0.61 -1.77 2.08 -1.35 0.00 0.00 0.00 175.76 175.33 2nya h PRO 38 N 9.11 0.00 -0.04 0.00 0.11 -1.88 0.11 132.00 139.40 2nya h PRO 38 Ca -0.25 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.88 2nya h PRO 38 Cb 1.09 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 2nya h PRO 38 CO 1.04 0.00 -0.09 0.28 -0.21 0.00 0.00 178.00 179.02 2nya h VAL 39 N 0.00 0.76 0.00 3.15 2.07 -1.91 -3.38 116.25 116.94 2nya h VAL 39 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2nya h VAL 39 Cb 0.56 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2nya h VAL 39 CO -0.00 0.00 -0.22 -0.46 0.02 0.00 0.00 177.57 176.90 2nya n ASN 40 N -5.22 1.12 -4.18 0.57 2.04 -1.14 -4.95 115.26 103.50 2nya n ASN 40 Ca -0.05 -0.23 -0.31 0.00 -0.44 0.00 0.00 54.58 53.55 2nya n ASN 40 Cb 0.14 0.68 -0.05 0.00 -2.53 0.00 0.00 39.78 38.02 2nya n ASN 40 CO 0.00 0.00 0.00 -1.14 -0.44 0.00 0.00 177.26 175.68 2nya n ARG 41 N -0.80 -2.25 0.00 -3.83 0.63 0.36 -0.39 116.66 110.39 2nya n ARG 41 Ca 0.00 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 2nya n ARG 41 Cb 0.00 -4.33 0.00 0.00 0.45 0.00 0.00 32.46 28.58 2nya n ARG 41 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2nya n GLY 42 N -2.00 3.20 3.72 5.14 0.00 -0.98 -4.73 105.19 109.53 2nya n GLY 42 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 2nya n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nya s LEU 43 N 0.00 2.13 -0.05 0.99 1.43 0.48 -3.79 118.68 119.86 2nya s LEU 43 Ca 0.00 1.37 -0.30 0.00 -1.03 0.00 0.00 54.13 54.17 2nya s LEU 43 Cb 0.00 -3.75 0.08 0.00 0.03 0.00 0.00 46.19 42.55 2nya s LEU 43 CO 0.00 -2.68 0.73 0.21 0.23 0.00 0.00 176.35 174.85 2nya s ASN 44 N -3.51 -0.59 0.44 2.29 3.84 -1.26 -4.59 114.94 111.55 2nya s ASN 44 Ca 0.64 0.58 0.06 0.00 0.21 0.00 0.00 52.86 54.35 2nya s ASN 44 Cb -0.18 0.50 -0.04 0.00 -0.55 0.00 0.00 41.25 40.99 2nya s ASN 44 CO 0.57 -0.59 0.19 0.00 -2.79 0.00 0.00 177.10 174.47 2nya h ILE 46 N 1.34 0.81 -0.15 0.00 6.09 -2.00 -0.81 117.51 122.79 2nya h ILE 46 Ca -0.42 -0.16 -0.09 0.00 -1.37 0.00 0.00 64.86 62.83 2nya h ILE 46 Cb 1.26 0.31 -0.00 0.00 0.47 0.00 0.00 36.82 38.86 2nya h ILE 46 CO 0.69 0.08 -0.24 0.11 -3.07 0.00 0.00 178.15 175.72 2nya h LYS 47 N 0.46 0.43 -0.91 2.19 1.57 -1.90 -3.07 116.57 115.33 2nya h LYS 47 Ca 0.38 -0.26 0.09 0.00 -1.87 0.00 0.00 60.65 58.99 2nya h LYS 47 Cb 0.82 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.08 2nya h LYS 47 CO -0.13 0.85 0.56 0.78 -0.57 0.00 0.00 179.45 180.95 2nya h GLY 48 N 0.04 1.43 0.59 3.86 0.00 -1.78 -2.52 103.07 104.69 2nya h GLY 48 Ca 0.01 -0.39 0.11 0.00 0.00 0.00 0.00 47.33 47.06 2nya h GLY 48 CO 0.06 0.20 0.61 -1.82 0.00 0.00 0.00 176.54 175.59 2nya h TYR 49 N 0.96 1.06 -0.50 5.60 3.20 -1.10 -2.63 116.97 123.55 2nya h TYR 49 Ca 0.43 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.33 2nya h TYR 49 Cb 0.32 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.25 2nya h TYR 49 CO -0.03 0.45 0.00 1.19 -1.64 0.00 0.00 178.16 178.13 2nya n PHE 50 N -4.57 1.52 -0.27 -3.82 3.01 -0.95 -4.45 117.46 107.92 2nya n PHE 50 Ca 0.17 -0.55 0.07 0.00 1.01 0.00 0.00 57.45 58.15 2nya n PHE 50 Cb 0.33 -0.35 0.21 0.00 -0.01 0.00 0.00 39.48 39.67 2nya n PHE 50 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2nya h LEU 51 N 3.31 0.34 0.00 4.37 4.07 -1.42 -0.32 115.31 125.66 2nya h LEU 51 Ca 0.00 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.07 2nya h LEU 51 Cb 1.52 0.08 0.00 0.00 1.08 0.00 0.00 40.66 43.34 2nya h LEU 51 CO 0.32 0.11 0.00 -2.65 -1.08 0.00 0.00 178.44 175.14 2nya n PRO 52 N -4.98 0.21 -0.00 1.13 -0.02 -1.26 -2.71 135.00 127.37 2nya n PRO 52 Ca 0.16 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.69 2nya n PRO 52 Cb 0.46 -1.30 -0.07 0.00 -0.02 0.00 0.00 33.50 32.57 2nya n PRO 52 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2nya n LYS 53 N -0.80 2.46 0.15 -0.52 5.02 -0.13 -4.74 118.16 119.60 2nya n LYS 53 Ca 0.03 -0.03 0.13 0.00 -2.02 0.00 0.00 58.31 56.42 2nya n LYS 53 Cb 0.01 -1.09 0.37 0.00 -0.02 0.00 0.00 35.03 34.30 2nya n LYS 53 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 2nya h ILE 54 N 0.00 0.00 0.00 -0.18 3.07 -1.60 -3.06 117.51 115.74 2nya h ILE 54 Ca 0.00 -0.59 0.00 0.00 1.55 0.00 0.00 64.86 65.82 2nya h ILE 54 Cb 0.34 1.56 0.00 0.00 -0.27 0.00 0.00 36.82 38.45 2nya h ILE 54 CO 0.00 0.00 -0.54 0.23 -1.05 0.00 0.00 178.15 176.79 2nya n MET 55 N -2.52 0.12 -0.18 0.16 2.81 -1.26 -4.31 117.12 111.93 2nya n MET 55 Ca 0.05 0.03 0.08 0.00 -1.81 0.00 0.00 57.70 56.05 2nya n MET 55 Cb 0.43 -1.57 0.16 0.00 -0.71 0.00 0.00 33.22 31.54 2nya n MET 55 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 2nya n TYR 56 N -1.74 0.31 -0.08 2.03 4.02 -1.16 -4.92 117.16 115.63 2nya n TYR 56 Ca 0.05 -0.89 -0.07 0.00 -0.01 0.00 0.00 57.90 56.97 2nya n TYR 56 Cb 0.38 -0.19 0.07 0.00 -0.02 0.00 0.00 39.34 39.58 2nya n TYR 56 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2nya n GLY 57 N -0.97 -3.25 0.11 2.72 0.00 -1.25 -4.86 105.19 97.68 2nya n GLY 57 Ca 0.16 -1.07 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 2nya n GLY 57 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2nya h LYS 58 N 0.00 0.28 -0.43 1.61 3.64 -1.95 -3.24 116.57 116.48 2nya h LYS 58 Ca -0.09 -0.48 -0.24 0.00 -1.27 0.00 0.00 60.65 58.56 2nya h LYS 58 Cb 0.32 0.18 -0.38 0.00 -0.41 0.00 0.00 32.23 31.94 2nya h LYS 58 CO 0.06 1.21 -1.04 -0.40 -2.27 0.00 0.00 179.45 177.00 2nya n ASP 59 N -3.52 1.27 -3.23 4.20 5.68 -1.26 -5.07 116.55 114.61 2nya n ASP 59 Ca -0.11 -2.09 -0.35 0.00 -0.50 0.00 0.00 54.79 51.74 2nya n ASP 59 Cb 1.03 -0.37 -0.02 0.00 -1.14 0.00 0.00 41.12 40.63 2nya n ASP 59 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2nya n ARG 60 N -0.65 0.00 -2.80 0.11 5.12 -1.23 -4.53 116.66 112.69 2nya n ARG 60 Ca 0.05 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.56 2nya n ARG 60 Cb 0.81 -0.74 -0.04 0.00 -1.16 0.00 0.00 32.46 31.33 2nya n ARG 60 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2nya s LEU 61 N 2.38 4.47 0.00 0.55 1.02 0.20 -4.93 118.68 122.37 2nya s LEU 61 Ca 0.47 1.68 0.00 0.00 0.02 0.00 0.00 54.13 56.30 2nya s LEU 61 Cb -0.65 -3.49 0.00 0.00 0.02 0.00 0.00 46.19 42.08 2nya s LEU 61 CO 0.42 -0.06 0.11 0.35 0.02 0.00 0.00 176.35 177.19 2nya n THR 62 N 2.92 0.00 -3.71 5.49 -2.24 -1.26 -4.55 114.28 110.93 2nya n THR 62 Ca 0.01 -0.49 -0.14 0.00 -2.27 0.00 0.00 64.05 61.17 2nya n THR 62 Cb 0.50 1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 69.64 2nya n THR 62 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2nya s GLN 63 N -0.75 0.62 0.13 -0.78 0.74 -1.26 -1.29 119.66 117.07 2nya s GLN 63 Ca 0.00 0.37 -0.33 0.00 0.05 0.00 0.00 55.36 55.45 2nya s GLN 63 Cb 0.00 0.29 -0.12 0.00 1.10 0.00 0.00 33.01 34.28 2nya s GLN 63 CO 0.00 -0.12 1.73 -2.30 -0.55 0.00 0.00 175.29 174.05 2nya n PRO 64 N 2.22 2.50 -4.00 1.67 -0.02 -1.26 -4.44 135.00 131.67 2nya n PRO 64 Ca -0.16 0.91 -0.34 0.00 -2.02 0.00 0.00 63.50 61.88 2nya n PRO 64 Cb 0.57 -2.74 -0.15 0.00 -0.02 0.00 0.00 33.50 31.16 2nya n PRO 64 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nya s LEU 65 N 1.92 2.60 0.02 2.45 1.43 -0.81 -0.88 118.68 125.42 2nya s LEU 65 Ca 0.81 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 53.43 2nya s LEU 65 Cb -0.58 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 2nya s LEU 65 CO 0.38 -0.02 -0.11 -0.22 0.23 0.00 0.00 176.35 176.61 2nya s LEU 66 N 1.39 2.94 0.06 1.79 2.96 0.11 -1.89 118.68 126.05 2nya s LEU 66 Ca 0.05 -0.26 -0.31 0.00 -0.22 0.00 0.00 54.13 53.40 2nya s LEU 66 Cb -0.14 -1.70 -0.06 0.00 0.50 0.00 0.00 46.19 44.79 2nya s LEU 66 CO -0.07 0.27 1.21 -0.13 -1.32 0.00 0.00 176.35 176.30 2nya s ARG 67 N -1.43 4.42 0.00 1.98 0.52 -1.14 -0.35 118.95 122.96 2nya s ARG 67 Ca 0.16 1.78 -0.03 0.00 -0.52 0.00 0.00 55.73 57.12 2nya s ARG 67 Cb -0.11 -3.35 -0.01 0.00 0.52 0.00 0.00 34.95 32.01 2nya s ARG 67 CO 0.07 -0.27 0.05 -1.64 0.02 0.00 0.00 175.30 173.53 2nya s MET 68 N 1.09 0.30 -0.09 3.54 -1.94 -0.26 -1.81 119.30 120.13 2nya s MET 68 Ca 0.59 -0.35 0.02 0.00 -1.71 0.00 0.00 55.69 54.24 2nya s MET 68 Cb -0.30 0.12 0.01 0.00 2.01 0.00 0.00 34.83 36.67 2nya s MET 68 CO 0.29 -0.06 -0.15 0.15 -0.01 0.00 0.00 175.02 175.24 2nya s LYS 69 N -1.02 2.09 0.00 2.03 1.02 -0.87 -1.77 119.74 121.22 2nya s LYS 69 Ca -0.11 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.35 2nya s LYS 69 Cb -0.07 -1.73 0.00 0.00 -0.52 0.00 0.00 37.83 35.51 2nya s LYS 69 CO 0.00 -0.00 0.00 0.27 -0.92 0.00 0.00 175.35 174.70 2nya n ASN 70 N 3.98 -0.35 -4.12 2.83 6.94 -1.26 -3.04 115.26 120.25 2nya n ASN 70 Ca -0.20 0.05 -0.29 0.00 -0.02 0.00 0.00 54.58 54.11 2nya n ASN 70 Cb 0.52 -0.08 -0.09 0.00 -2.36 0.00 0.00 39.78 37.78 2nya n ASN 70 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2nya n GLY 71 N 1.11 -0.15 3.63 4.83 0.00 -1.26 -4.88 105.19 108.47 2nya n GLY 71 Ca 0.00 0.14 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 2nya n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nya s LYS 72 N -6.82 0.40 0.38 1.61 -2.85 -1.17 -5.15 119.74 106.14 2nya s LYS 72 Ca 0.12 0.34 -0.27 0.00 -1.00 0.00 0.00 55.97 55.16 2nya s LYS 72 Cb -0.07 0.19 -0.11 0.00 -2.06 0.00 0.00 37.83 35.78 2nya s LYS 72 CO 0.89 -0.08 1.26 0.98 0.10 0.00 0.00 175.35 178.50 2nya n TYR 73 N 1.59 2.13 -3.68 1.78 9.36 -1.26 -2.04 117.16 125.04 2nya n TYR 73 Ca -0.10 0.54 -0.09 0.00 3.32 0.00 0.00 57.90 61.56 2nya n TYR 73 Cb 0.57 -2.38 -0.10 0.00 -0.63 0.00 0.00 39.34 36.79 2nya n TYR 73 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2nya s ASP 74 N -0.43 -0.53 0.58 2.98 2.15 -0.75 -4.73 116.67 115.95 2nya s ASP 74 Ca 0.58 1.01 0.28 0.00 0.43 0.00 0.00 52.55 54.85 2nya s ASP 74 Cb -0.55 1.01 1.69 0.00 -0.30 0.00 0.00 42.92 44.77 2nya s ASP 74 CO 0.60 -0.21 2.15 0.50 -0.17 0.00 0.00 175.17 178.05 2nya h LYS 75 N 7.37 0.00 -0.31 4.34 3.11 -1.95 0.16 116.57 129.29 2nya h LYS 75 Ca -0.31 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.53 2nya h LYS 75 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 2nya h LYS 75 CO 0.23 0.00 0.00 0.39 -2.81 0.00 0.00 179.45 177.26 2nya n GLU 76 N -3.87 2.17 -0.29 1.90 4.71 -1.26 -5.03 120.64 118.97 2nya n GLU 76 Ca -0.00 -1.96 -0.14 0.00 -0.01 0.00 0.00 57.16 55.05 2nya n GLU 76 Cb 0.23 -1.36 0.12 0.00 -1.01 0.00 0.00 31.44 29.43 2nya n GLU 76 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2nya n GLY 77 N 0.94 -3.22 3.71 0.62 0.00 0.57 -4.96 105.19 102.85 2nya n GLY 77 Ca 0.14 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 2nya n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nya s GLU 78 N -4.04 3.09 0.16 1.61 0.41 -0.73 -4.47 118.70 114.73 2nya s GLU 78 Ca 0.31 -0.37 -0.33 0.00 -0.41 0.00 0.00 54.97 54.18 2nya s GLU 78 Cb -0.04 -2.86 -0.13 0.00 -1.78 0.00 0.00 34.13 29.32 2nya s GLU 78 CO 0.25 0.70 1.69 1.19 -0.49 0.00 0.00 175.26 178.60 2nya n PHE 79 N 2.17 2.53 -3.77 1.61 3.01 -1.26 -1.11 117.46 120.65 2nya n PHE 79 Ca -0.19 0.10 -0.13 0.00 1.01 0.00 0.00 57.45 58.25 2nya n PHE 79 Cb 0.54 -2.63 -0.12 0.00 -0.01 0.00 0.00 39.48 37.26 2nya n PHE 79 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 2nya s THR 80 N 1.41 -0.01 0.36 4.37 -1.32 0.53 -4.92 115.64 116.07 2nya s THR 80 Ca 0.78 0.04 -0.28 0.00 -1.21 0.00 0.00 61.69 61.03 2nya s THR 80 Cb -0.58 -0.37 -0.10 0.00 -1.51 0.00 0.00 72.50 69.95 2nya s THR 80 CO 0.36 0.02 1.31 -2.84 -2.21 0.00 0.00 174.62 171.25 2nya s PRO 81 N 0.43 4.19 0.23 7.08 0.02 -1.26 -0.71 135.00 144.97 2nya s PRO 81 Ca -0.02 2.19 -0.05 0.00 0.02 0.00 0.00 61.00 63.14 2nya s PRO 81 Cb -0.04 -2.93 -0.03 0.00 0.02 0.00 0.00 34.50 31.52 2nya s PRO 81 CO -0.02 -0.32 0.27 0.96 -0.33 0.00 0.00 177.00 177.56 2nya s ILE 82 N -1.20 0.00 0.48 2.83 -4.36 -0.06 -4.87 121.20 114.03 2nya s ILE 82 Ca 0.52 -1.78 -0.04 0.00 -0.26 0.00 0.00 60.65 59.10 2nya s ILE 82 Cb -0.39 -2.41 -0.02 0.00 1.25 0.00 0.00 42.46 40.89 2nya s ILE 82 CO 0.51 0.00 0.76 0.42 0.24 0.00 0.00 174.94 176.87 2nya s THR 83 N -4.04 4.56 0.18 8.37 -4.23 -1.26 -4.06 115.64 115.16 2nya s THR 83 Ca 0.33 -0.04 -0.14 0.00 -1.18 0.00 0.00 61.69 60.67 2nya s THR 83 Cb 0.04 -3.73 0.10 0.00 1.34 0.00 0.00 72.50 70.25 2nya s THR 83 CO 0.12 -0.66 1.71 -0.50 -0.54 0.00 0.00 174.62 174.76 2nya h TRP 84 N 0.25 0.13 -0.81 3.99 4.06 -1.98 0.89 115.95 122.47 2nya h TRP 84 Ca -0.47 0.03 0.16 0.00 2.06 0.00 0.00 58.89 60.67 2nya h TRP 84 Cb 1.22 0.02 -0.10 0.00 -1.00 0.00 0.00 29.16 29.30 2nya h TRP 84 CO 0.53 -0.02 0.35 -0.44 -3.56 0.00 0.00 178.44 175.31 2nya h ASP 85 N 0.21 0.34 0.22 -3.49 3.45 -1.99 0.88 116.42 116.05 2nya h ASP 85 Ca 0.23 0.12 -0.25 0.00 0.43 0.00 0.00 57.03 57.57 2nya h ASP 85 Cb 0.31 0.09 0.01 0.00 -0.56 0.00 0.00 39.33 39.18 2nya h ASP 85 CO -0.32 0.10 -1.01 1.56 -1.57 0.00 0.00 179.24 178.01 2nya h GLN 86 N 0.47 0.52 -0.66 3.56 4.20 -1.26 -2.09 115.11 119.84 2nya h GLN 86 Ca 0.46 -0.57 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2nya h GLN 86 Cb 0.75 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.66 2nya h GLN 86 CO -0.43 1.20 0.38 0.00 -0.67 0.00 0.00 178.83 179.31 2nya h ALA 87 N 0.59 0.85 0.00 3.87 0.00 0.12 -2.39 119.26 122.30 2nya h ALA 87 Ca -0.11 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2nya h ALA 87 Cb 1.65 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2nya h ALA 87 CO 0.18 0.34 -0.40 0.74 0.00 0.00 0.00 179.25 180.12 2nya h PHE 88 N 0.91 0.00 0.34 0.00 0.05 -0.82 -2.23 116.94 115.18 2nya h PHE 88 Ca 0.24 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 62.01 2nya h PHE 88 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.96 2nya h PHE 88 CO -0.01 0.40 -0.16 -0.44 -0.18 0.00 0.00 178.31 177.92 2nya h ASP 89 N 0.00 -0.39 -0.21 2.17 3.32 -0.90 0.11 116.42 120.52 2nya h ASP 89 Ca -0.00 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 2nya h ASP 89 Cb 0.78 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 2nya h ASP 89 CO 0.05 -0.22 0.10 0.58 -1.72 0.00 0.00 179.24 178.02 2nya h VAL 90 N -0.52 1.15 -0.82 -1.35 2.07 -1.39 -2.02 116.25 113.36 2nya h VAL 90 Ca -0.05 -0.43 0.08 0.00 0.82 0.00 0.00 66.70 67.13 2nya h VAL 90 Cb 0.39 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 2nya h VAL 90 CO 0.08 0.14 0.54 0.24 0.02 0.00 0.00 177.57 178.59 2nya h MET 91 N 0.20 0.81 -0.03 1.57 2.86 -1.44 -1.23 114.93 117.68 2nya h MET 91 Ca 0.07 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2nya h MET 91 Cb 0.14 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 2nya h MET 91 CO -0.01 0.54 0.01 1.49 1.06 0.00 0.00 176.91 180.00 2nya h GLU 92 N 0.84 0.04 -0.30 1.72 4.81 -0.15 -1.92 114.58 119.62 2nya h GLU 92 Ca 0.37 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.55 2nya h GLU 92 Cb 0.34 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2nya h GLU 92 CO -0.14 0.21 0.05 1.49 -0.73 0.00 0.00 179.01 179.89 2nya h GLU 93 N -0.13 0.50 -0.36 1.92 4.22 -1.25 -1.02 114.58 118.45 2nya h GLU 93 Ca 0.01 -0.13 -0.00 0.00 0.08 0.00 0.00 59.36 59.31 2nya h GLU 93 Cb 0.19 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2nya h GLU 93 CO -0.00 0.60 0.22 0.87 -2.18 0.00 0.00 179.01 178.52 2nya h LYS 94 N 0.32 0.50 -0.19 1.92 1.79 -1.22 0.11 116.57 119.79 2nya h LYS 94 Ca 0.09 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.49 2nya h LYS 94 Cb 0.34 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 2nya h LYS 94 CO 0.01 0.37 0.00 0.74 -1.08 0.00 0.00 179.45 179.49 2nya h PHE 95 N 0.48 0.37 -0.55 -1.35 0.04 -1.28 -1.80 116.94 112.85 2nya h PHE 95 Ca 0.13 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 2nya h PHE 95 Cb 0.00 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.03 2nya h PHE 95 CO -0.04 0.54 0.29 0.87 -0.60 0.00 0.00 178.31 179.37 2nya h LYS 96 N 0.10 0.77 -0.08 1.51 1.57 -0.83 0.30 116.57 119.91 2nya h LYS 96 Ca 0.05 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2nya h LYS 96 Cb 0.39 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2nya h LYS 96 CO 0.01 0.60 -0.06 1.15 -0.57 0.00 0.00 179.45 180.58 2nya h THR 97 N 0.74 0.82 -0.41 -0.16 2.02 -0.84 0.69 112.91 115.76 2nya h THR 97 Ca 0.19 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.44 2nya h THR 97 Cb 0.06 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 2nya h THR 97 CO -0.03 0.00 0.08 0.00 0.37 0.00 0.00 175.52 175.94 2nya h ALA 98 N 1.01 0.45 -0.31 6.16 0.00 -0.88 0.18 119.26 125.87 2nya h ALA 98 Ca 0.05 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2nya h ALA 98 Cb 0.15 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2nya h ALA 98 CO -0.13 -0.32 -0.00 -0.07 0.00 0.00 0.00 179.25 178.74 2nya h LEU 99 N 0.22 0.44 -0.13 0.00 3.38 -0.80 0.11 115.31 118.53 2nya h LEU 99 Ca 0.20 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2nya h LEU 99 Cb 0.24 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2nya h LEU 99 CO -0.26 0.51 -0.04 0.50 0.09 0.00 0.00 178.44 179.24 2nya h LYS 100 N 0.46 0.26 0.17 1.13 3.64 -0.04 -2.66 116.57 119.53 2nya h LYS 100 Ca 0.10 -0.10 -0.33 0.00 -1.27 0.00 0.00 60.65 59.05 2nya h LYS 100 Cb 0.30 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2nya h LYS 100 CO 0.01 0.57 -1.59 0.93 -2.27 0.00 0.00 179.45 177.10 2nya h GLU 101 N -0.06 0.35 0.00 1.90 5.08 -0.43 -3.41 114.58 118.01 2nya h GLU 101 Ca 0.03 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 2nya h GLU 101 Cb 0.47 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2nya h GLU 101 CO 0.01 1.25 -0.40 1.63 -1.00 0.00 0.00 179.01 180.50 2nya n LYS 102 N -3.55 3.61 0.00 2.33 5.02 -0.04 -5.09 118.16 120.44 2nya n LYS 102 Ca -0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 2nya n LYS 102 Cb 1.06 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 2nya n LYS 102 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nya n GLY 103 N 0.99 -2.76 0.38 0.72 0.00 0.19 -4.58 105.19 100.14 2nya n GLY 103 Ca 0.00 -1.79 0.18 0.00 0.00 0.00 0.00 46.02 44.42 2nya n GLY 103 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2nya h PRO 104 N 0.00 0.53 -0.01 1.61 0.11 -1.83 -0.47 132.00 131.94 2nya h PRO 104 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2nya h PRO 104 Cb 0.00 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 30.99 2nya h PRO 104 CO 0.00 0.35 0.28 0.93 -0.21 0.00 0.00 178.00 179.35 2nya h GLU 105 N 0.55 0.00 -0.02 1.05 5.08 -1.87 -2.80 114.58 116.57 2nya h GLU 105 Ca 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.94 2nya h GLU 105 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2nya h GLU 105 CO -0.33 0.00 -0.27 -1.13 -1.00 0.00 0.00 179.01 176.28 2nya n SER 106 N -2.94 2.42 -4.59 1.42 3.41 -0.18 -4.78 113.62 108.37 2nya n SER 106 Ca -0.02 -1.71 -0.25 0.00 -0.26 0.00 0.00 58.87 56.63 2nya n SER 106 Cb 0.33 0.28 -0.08 0.00 -0.26 0.00 0.00 64.21 64.48 2nya n SER 106 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2nya s ILE 107 N -2.25 3.23 0.12 -1.33 -4.36 -1.06 0.11 121.20 115.67 2nya s ILE 107 Ca 0.22 -1.83 -0.26 0.00 -0.26 0.00 0.00 60.65 58.52 2nya s ILE 107 Cb 0.19 -2.66 0.07 0.00 1.25 0.00 0.00 42.46 41.30 2nya s ILE 107 CO 0.45 -0.25 0.92 -0.83 0.24 0.00 0.00 174.94 175.47 2nya s GLY 108 N -3.24 -0.30 0.07 6.27 0.00 0.21 -4.64 107.32 105.70 2nya s GLY 108 Ca 0.28 0.34 0.07 0.00 0.00 0.00 0.00 44.72 45.41 2nya s GLY 108 CO 0.17 0.09 -0.20 -0.29 0.00 0.00 0.00 173.10 172.87 2nya s MET 109 N -3.30 1.20 -0.45 2.90 0.00 0.57 -0.96 119.30 119.26 2nya s MET 109 Ca 0.10 -1.03 0.04 0.00 0.00 0.00 0.00 55.69 54.80 2nya s MET 109 Cb -0.01 -1.37 0.12 0.00 0.00 0.00 0.00 34.83 33.56 2nya s MET 109 CO -0.01 0.33 0.19 0.12 0.00 0.00 0.00 175.02 175.65 2nya s PHE 110 N -1.00 3.26 0.00 4.11 5.36 -0.48 -2.63 117.98 126.61 2nya s PHE 110 Ca 0.06 -3.04 0.00 0.00 -0.96 0.00 0.00 56.93 52.99 2nya s PHE 110 Cb -0.09 -2.77 0.00 0.00 -0.34 0.00 0.00 43.02 39.82 2nya s PHE 110 CO 0.03 -0.81 0.00 0.41 -1.46 0.00 0.00 175.22 173.38 2nya n GLY 111 N 3.55 -0.00 3.44 13.12 0.00 -0.11 -1.70 105.19 123.48 2nya n GLY 111 Ca 0.05 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.14 2nya n GLY 111 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2nya s SER 112 N -1.00 -0.55 0.00 1.61 0.15 -1.26 -1.25 113.70 111.40 2nya s SER 112 Ca 0.00 0.99 0.15 0.00 0.70 0.00 0.00 55.95 57.79 2nya s SER 112 Cb 0.00 1.00 0.89 0.00 -1.71 0.00 0.00 66.02 66.20 2nya s SER 112 CO 0.00 -0.25 1.42 0.61 1.20 0.00 0.00 173.24 176.22 2nya n GLY 113 N 2.51 -0.78 1.11 9.45 0.00 -1.26 -2.12 105.19 114.10 2nya n GLY 113 Ca -0.15 -0.09 0.10 0.00 0.00 0.00 0.00 46.02 45.88 2nya n GLY 113 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2nya n GLN 114 N -0.80 2.68 -1.88 1.61 6.02 -1.26 -0.62 117.38 123.12 2nya n GLN 114 Ca 0.11 -2.41 -0.31 0.00 -0.01 0.00 0.00 57.00 54.38 2nya n GLN 114 Cb 0.05 -1.47 0.01 0.00 1.02 0.00 0.00 30.24 29.86 2nya n GLN 114 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2nya s TRP 115 N -1.06 3.42 0.37 1.08 0.51 -0.90 -4.95 118.94 117.41 2nya s TRP 115 Ca 0.40 1.37 -0.26 0.00 -2.12 0.00 0.00 56.10 55.49 2nya s TRP 115 Cb 0.21 -2.79 -0.09 0.00 -0.81 0.00 0.00 33.47 29.99 2nya s TRP 115 CO 0.28 -0.81 1.10 0.99 -0.51 0.00 0.00 176.95 177.99 2nya s THR 116 N -3.01 3.48 0.19 2.01 2.01 -1.26 -4.70 115.64 114.35 2nya s THR 116 Ca 0.57 1.24 -0.19 0.00 0.31 0.00 0.00 61.69 63.62 2nya s THR 116 Cb -0.12 -3.69 0.14 0.00 0.01 0.00 0.00 72.50 68.83 2nya s THR 116 CO 0.50 0.11 1.60 0.40 -0.69 0.00 0.00 174.62 176.54 2nya h ILE 117 N 2.43 0.25 -0.46 1.82 2.04 -1.79 0.16 117.51 121.96 2nya h ILE 117 Ca -0.48 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.32 2nya h ILE 117 Cb 1.22 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2nya h ILE 117 CO 0.63 0.00 0.03 4.11 0.00 0.00 0.00 178.15 182.92 2nya h TRP 118 N -0.14 0.78 -0.15 1.37 0.09 -1.92 0.17 115.95 116.15 2nya h TRP 118 Ca 0.23 -0.09 0.05 0.00 0.09 0.00 0.00 58.89 59.17 2nya h TRP 118 Cb 0.52 -0.22 -0.05 0.00 0.08 0.00 0.00 29.16 29.49 2nya h TRP 118 CO -0.57 0.71 -0.17 0.93 0.09 0.00 0.00 178.44 179.43 2nya h GLU 119 N 0.70 -0.20 -0.56 0.12 5.08 -1.59 0.41 114.58 118.54 2nya h GLU 119 Ca 0.14 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2nya h GLU 119 Cb 0.39 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2nya h GLU 119 CO 0.01 -0.13 0.35 0.78 -1.00 0.00 0.00 179.01 179.02 2nya h GLY 120 N -0.20 0.80 1.01 -3.84 0.00 0.07 -1.04 103.07 99.86 2nya h GLY 120 Ca 0.10 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 2nya h GLY 120 CO -0.27 0.24 0.49 -1.82 0.00 0.00 0.00 176.54 175.19 2nya h TYR 121 N 0.71 1.05 -0.20 5.60 5.03 -0.41 -2.32 116.97 126.41 2nya h TYR 121 Ca 0.22 0.00 -0.18 0.00 2.58 0.00 0.00 58.73 61.35 2nya h TYR 121 Cb -0.01 -0.35 -0.00 0.00 1.55 0.00 0.00 36.73 37.92 2nya h TYR 121 CO -0.05 0.69 -0.61 0.00 -1.32 0.00 0.00 178.16 176.87 2nya h ALA 122 N 1.27 0.53 -0.39 1.82 0.00 0.20 -1.82 119.26 120.87 2nya h ALA 122 Ca 0.29 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.68 2nya h ALA 122 Cb -0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2nya h ALA 122 CO -0.06 0.69 0.21 0.00 0.00 0.00 0.00 179.25 180.09 2nya h ALA 123 N 0.79 0.48 -0.58 0.00 0.00 -1.12 -1.26 119.26 117.58 2nya h ALA 123 Ca -0.01 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2nya h ALA 123 Cb 1.20 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2nya h ALA 123 CO 0.12 -0.15 -0.04 1.03 0.00 0.00 0.00 179.25 180.22 2nya h SER 124 N 0.42 1.04 -0.32 0.00 0.87 -1.23 -1.48 113.55 112.85 2nya h SER 124 Ca 0.16 -0.32 -0.10 0.00 -1.23 0.00 0.00 61.79 60.30 2nya h SER 124 Cb 0.05 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 2nya h SER 124 CO -0.10 1.11 -0.16 0.11 -0.53 0.00 0.00 176.83 177.27 2nya h LYS 125 N 0.94 0.78 0.34 2.24 1.57 -0.90 0.16 116.57 121.70 2nya h LYS 125 Ca 0.16 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2nya h LYS 125 Cb 0.60 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2nya h LYS 125 CO 0.04 0.88 -0.21 1.25 -0.57 0.00 0.00 179.45 180.84 2nya h LEU 126 N 0.69 -0.54 0.02 2.94 6.46 -0.69 0.23 115.31 124.42 2nya h LEU 126 Ca 0.11 0.03 -0.12 0.00 -0.12 0.00 0.00 57.88 57.78 2nya h LEU 126 Cb 0.65 0.16 0.01 0.00 -0.73 0.00 0.00 40.66 40.75 2nya h LEU 126 CO 0.05 -0.34 -0.48 -0.26 -0.62 0.00 0.00 178.44 176.79 2nya h PHE 127 N -0.54 0.44 0.23 1.25 0.04 -1.01 0.50 116.94 117.85 2nya h PHE 127 Ca -0.04 -0.25 -0.33 0.00 2.80 0.00 0.00 57.97 60.15 2nya h PHE 127 Cb 0.44 -0.04 0.03 0.00 2.20 0.00 0.00 35.95 38.58 2nya h PHE 127 CO -0.09 1.09 -1.51 0.87 -0.60 0.00 0.00 178.31 178.07 2nya h LYS 128 N -0.34 0.48 0.01 1.51 1.57 -0.69 -0.71 116.57 118.41 2nya h LYS 128 Ca -0.07 -0.83 -0.34 0.00 -1.87 0.00 0.00 60.65 57.55 2nya h LYS 128 Cb 1.24 0.31 -0.06 0.00 0.08 0.00 0.00 32.23 33.80 2nya h LYS 128 CO 0.09 1.39 -2.08 0.00 -0.57 0.00 0.00 179.45 178.28 2nya n ALA 129 N -2.72 1.46 -0.04 3.86 0.00 0.60 -3.85 120.51 119.81 2nya n ALA 129 Ca -0.17 -1.03 -0.02 0.00 0.00 0.00 0.00 53.44 52.22 2nya n ALA 129 Cb 1.09 -0.49 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 2nya n ALA 129 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2nya h GLY 130 N 3.48 0.00 0.88 0.00 0.00 0.97 -3.41 103.07 104.99 2nya h GLY 130 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2nya h GLY 130 CO 0.05 0.00 -0.53 0.69 0.00 0.00 0.00 176.54 176.75 2nya n PHE 131 N -3.99 0.00 -3.71 5.60 0.99 -0.20 -4.67 117.46 111.48 2nya n PHE 131 Ca -0.03 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.19 2nya n PHE 131 Cb 0.10 -0.22 0.05 0.00 -1.00 0.00 0.00 39.48 38.41 2nya n PHE 131 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2nya n ARG 132 N -1.45 -5.83 -4.61 -1.08 1.74 -0.40 -4.68 116.66 100.34 2nya n ARG 132 Ca 0.06 0.68 -0.22 0.00 -0.77 0.00 0.00 57.85 57.60 2nya n ARG 132 Cb 0.34 -5.48 -0.15 0.00 -1.02 0.00 0.00 32.46 26.14 2nya n ARG 132 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2nya s SER 133 N -3.90 1.64 0.00 0.55 0.15 -0.47 -4.70 113.70 106.98 2nya s SER 133 Ca 0.29 -0.27 0.22 0.00 0.70 0.00 0.00 55.95 56.89 2nya s SER 133 Cb -0.14 -0.17 0.30 0.00 -1.71 0.00 0.00 66.02 64.30 2nya s SER 133 CO 0.79 0.16 1.30 0.59 1.20 0.00 0.00 173.24 177.28 2nya n ASN 134 N 2.65 3.16 -2.55 5.45 3.02 -1.26 -3.48 115.26 122.25 2nya n ASN 134 Ca -0.15 -1.96 -0.07 0.00 -0.03 0.00 0.00 54.58 52.37 2nya n ASN 134 Cb 0.55 -0.13 -0.05 0.00 -0.61 0.00 0.00 39.78 39.55 2nya n ASN 134 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2nya n ASN 135 N 1.36 2.33 -4.06 6.41 5.03 -1.26 -4.10 115.26 120.97 2nya n ASN 135 Ca 0.16 -1.97 -0.32 0.00 0.87 0.00 0.00 54.58 53.33 2nya n ASN 135 Cb 0.58 -0.63 -0.16 0.00 -1.02 0.00 0.00 39.78 38.55 2nya n ASN 135 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 2nya s ILE 136 N 2.76 1.91 -0.02 2.41 2.07 -1.26 -0.32 121.20 128.76 2nya s ILE 136 Ca 0.25 -1.12 -0.09 0.00 -1.41 0.00 0.00 60.65 58.28 2nya s ILE 136 Cb 0.10 -1.89 0.01 0.00 0.13 0.00 0.00 42.46 40.81 2nya s ILE 136 CO -0.01 0.26 0.19 -0.62 -1.91 0.00 0.00 174.94 172.86 2nya s ASP 137 N 1.29 -0.07 0.44 4.50 2.15 -1.08 -0.78 116.67 123.12 2nya s ASP 137 Ca -0.01 -0.01 0.08 0.00 0.43 0.00 0.00 52.55 53.04 2nya s ASP 137 Cb -0.16 0.28 -0.00 0.00 -0.30 0.00 0.00 42.92 42.74 2nya s ASP 137 CO -0.09 -0.33 0.44 -2.16 -0.17 0.00 0.00 175.17 172.86 2nya s PRO 138 N -1.08 2.53 0.61 4.34 0.04 -1.18 -0.94 135.00 139.32 2nya s PRO 138 Ca -0.12 -1.56 0.33 0.00 0.04 0.00 0.00 61.00 59.70 2nya s PRO 138 Cb -0.06 -2.42 1.95 0.00 0.04 0.00 0.00 34.50 34.01 2nya s PRO 138 CO 0.02 -0.30 2.27 -2.95 0.04 0.00 0.00 177.00 176.07 2nya h ASN 139 N 0.88 0.00 0.00 6.66 7.08 -1.51 -1.86 115.58 126.83 2nya h ASN 139 Ca -0.40 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.82 2nya h ASN 139 Cb 1.27 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.51 2nya h ASN 139 CO 0.54 0.00 0.20 0.00 -2.08 0.00 0.00 177.43 176.10 2nya h ALA 140 N 1.97 1.19 0.00 4.14 0.00 -1.93 0.29 119.26 124.91 2nya h ALA 140 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2nya h ALA 140 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2nya h ALA 140 CO -0.00 -0.19 -0.22 -0.09 0.00 0.00 0.00 179.25 178.76 2nya h ARG 141 N 0.00 0.00 -0.01 0.00 2.43 -1.73 0.10 114.38 115.17 2nya h ARG 141 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2nya h ARG 141 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2nya h ARG 141 CO 0.00 0.22 0.00 0.72 -1.51 0.00 0.00 179.97 179.40 2nya n HIS 142 N -3.36 0.01 0.03 2.20 8.25 0.10 -4.13 115.22 118.32 2nya n HIS 142 Ca 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2nya n HIS 142 Cb 0.43 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.54 2nya n HIS 142 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2nya n MET 144 N -2.69 1.59 -0.19 0.00 2.81 0.28 -4.60 117.12 114.33 2nya n MET 144 Ca 0.00 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 2nya n MET 144 Cb 0.00 -1.27 0.09 0.00 -0.71 0.00 0.00 33.22 31.33 2nya n MET 144 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2nya h ALA 145 N 2.27 0.58 -0.40 3.04 0.00 -1.79 0.13 119.26 123.09 2nya h ALA 145 Ca 0.00 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2nya h ALA 145 Cb 0.40 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2nya h ALA 145 CO 0.00 -0.38 0.27 0.77 0.00 0.00 0.00 179.25 179.91 2nya h SER 146 N 0.14 0.38 0.39 0.00 0.02 -1.81 -0.02 113.55 112.65 2nya h SER 146 Ca 0.30 -0.01 -0.29 0.00 -0.84 0.00 0.00 61.79 60.95 2nya h SER 146 Cb 0.47 -0.09 0.02 0.00 0.14 0.00 0.00 62.40 62.94 2nya h SER 146 CO -0.48 0.27 -1.28 0.00 -1.14 0.00 0.00 176.83 174.20 2nya h ALA 147 N 1.77 0.03 0.68 3.77 0.00 -1.33 -2.37 119.26 121.80 2nya h ALA 147 Ca 0.16 -0.84 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 2nya h ALA 147 Cb 0.09 0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.96 2nya h ALA 147 CO -0.04 0.82 -0.33 0.28 0.00 0.00 0.00 179.25 179.98 2nya h VAL 148 N 0.15 0.30 -0.82 0.00 2.07 -0.42 0.15 116.25 117.69 2nya h VAL 148 Ca -0.18 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.35 2nya h VAL 148 Cb 1.98 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 32.02 2nya h VAL 148 CO 0.23 0.01 0.53 0.58 0.02 0.00 0.00 177.57 178.94 2nya h VAL 149 N -0.99 0.94 -0.51 2.57 2.07 -1.12 0.13 116.25 119.35 2nya h VAL 149 Ca -0.09 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 2nya h VAL 149 Cb 0.72 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2nya h VAL 149 CO 0.15 0.14 0.21 1.23 0.02 0.00 0.00 177.57 179.33 2nya h GLY 150 N 0.75 0.81 0.99 2.17 0.00 -1.12 0.12 103.07 106.79 2nya h GLY 150 Ca 0.38 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 2nya h GLY 150 CO -0.15 0.41 0.32 0.74 0.00 0.00 0.00 176.54 177.86 2nya h PHE 151 N 0.68 0.67 -0.31 5.60 -1.00 0.13 -1.99 116.94 120.73 2nya h PHE 151 Ca 0.17 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.90 2nya h PHE 151 Cb 0.18 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 2nya h PHE 151 CO 0.00 0.46 -0.01 0.52 -1.61 0.00 0.00 178.31 177.67 2nya h MET 152 N 0.69 0.55 -0.36 1.51 2.86 -0.39 0.50 114.93 120.29 2nya h MET 152 Ca 0.19 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2nya h MET 152 Cb -0.03 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 2nya h MET 152 CO -0.04 0.70 0.23 0.00 1.06 0.00 0.00 176.91 178.86 2nya h ARG 153 N 0.34 0.48 0.20 1.72 3.08 -0.95 -0.98 114.38 118.27 2nya h ARG 153 Ca 0.09 -0.04 -0.33 0.00 0.07 0.00 0.00 59.98 59.77 2nya h ARG 153 Cb 0.46 -0.10 0.02 0.00 0.08 0.00 0.00 29.97 30.42 2nya h ARG 153 CO 0.02 0.34 -1.52 1.15 -1.07 0.00 0.00 179.97 178.89 2nya h THR 154 N 0.48 1.22 0.00 2.04 2.02 -1.23 -3.42 112.91 114.01 2nya h THR 154 Ca 0.13 -2.73 0.00 0.00 0.77 0.00 0.00 66.41 64.58 2nya h THR 154 Cb -0.03 2.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2nya h THR 154 CO -0.03 0.84 -0.72 0.49 0.37 0.00 0.00 175.52 176.47 2nya n PHE 155 N -3.62 0.00 -0.60 3.16 3.01 0.17 -1.45 117.46 118.14 2nya n PHE 155 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.29 2nya n PHE 155 Cb 1.08 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.55 2nya n PHE 155 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2nya n GLY 156 N 1.80 0.88 3.14 1.37 0.00 -0.37 -3.18 105.19 108.83 2nya n GLY 156 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2nya n GLY 156 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2nya s MET 157 N -0.31 0.90 0.70 1.61 -1.94 -1.26 -4.76 119.30 114.24 2nya s MET 157 Ca 0.00 -0.77 -0.13 0.00 -1.71 0.00 0.00 55.69 53.08 2nya s MET 157 Cb 0.00 -0.90 0.02 0.00 2.01 0.00 0.00 34.83 35.97 2nya s MET 157 CO 0.00 0.22 1.10 0.34 -0.01 0.00 0.00 175.02 176.67 2nya s ASP 158 N -1.20 4.87 0.00 3.03 2.15 -1.26 -4.49 116.67 119.77 2nya s ASP 158 Ca 0.01 1.93 0.00 0.00 0.43 0.00 0.00 52.55 54.92 2nya s ASP 158 Cb -0.08 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 2nya s ASP 158 CO 0.01 -1.79 0.00 -0.62 -0.17 0.00 0.00 175.17 172.60 2nya n GLU 159 N -2.85 0.00 -1.72 4.34 1.02 -1.26 -4.97 120.64 115.19 2nya n GLU 159 Ca 0.10 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.83 2nya n GLU 159 Cb 0.52 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.95 2nya n GLU 159 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2nya n PRO 160 N -1.31 2.08 0.00 3.49 -0.02 -1.26 -4.94 135.00 133.03 2nya n PRO 160 Ca 0.00 0.74 0.15 0.00 -2.02 0.00 0.00 63.50 62.36 2nya n PRO 160 Cb 0.00 -2.46 0.66 0.00 -0.02 0.00 0.00 33.50 31.69 2nya n PRO 160 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nya n MET 161 N 0.06 1.13 -1.89 -0.52 0.00 -1.26 -4.86 117.12 109.78 2nya n MET 161 Ca 0.06 -0.44 -0.05 0.00 0.00 0.00 0.00 57.70 57.27 2nya n MET 161 Cb 0.40 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 32.13 2nya n MET 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2nya n GLY 162 N 1.17 2.96 3.56 3.17 0.00 -1.26 -1.51 105.19 113.28 2nya n GLY 162 Ca 0.19 -2.19 -0.09 0.00 0.00 0.00 0.00 46.02 43.92 2nya n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nya h TYR 164 N 2.22 0.00 0.00 0.00 0.99 -1.94 -1.22 116.97 117.02 2nya h TYR 164 Ca -0.27 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.46 2nya h TYR 164 Cb 1.25 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.98 2nya h TYR 164 CO 0.38 0.00 0.00 -0.25 -0.00 0.00 0.00 178.16 178.29 2nya n ASP 165 N -4.02 0.34 0.22 3.88 10.43 -1.26 -0.22 116.55 125.92 2nya n ASP 165 Ca 0.03 0.65 0.14 0.00 2.57 0.00 0.00 54.79 58.19 2nya n ASP 165 Cb 0.38 -0.70 0.47 0.00 1.84 0.00 0.00 41.12 43.11 2nya n ASP 165 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 2nya h ASP 166 N 0.00 0.00 -0.29 -2.24 3.32 -1.61 -3.22 116.42 112.39 2nya h ASP 166 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2nya h ASP 166 Cb 0.03 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2nya h ASP 166 CO 0.00 0.00 0.17 0.40 -1.72 0.00 0.00 179.24 178.09 2nya h ILE 167 N 0.00 1.11 0.00 0.35 2.04 -0.82 -2.11 117.51 118.09 2nya h ILE 167 Ca 0.00 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.58 2nya h ILE 167 Cb 0.67 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2nya h ILE 167 CO 0.00 0.11 0.00 -1.84 0.00 0.00 0.00 178.15 176.42 2nya n GLU 168 N -4.84 0.93 -0.03 2.37 0.00 -1.21 -3.12 120.64 114.73 2nya n GLU 168 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.15 2nya n GLU 168 Cb 0.06 -1.45 0.02 0.00 0.00 0.00 0.00 31.44 30.08 2nya n GLU 168 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2nya n GLN 169 N -0.95 1.90 -2.78 3.44 6.02 -0.93 -5.07 117.38 119.02 2nya n GLN 169 Ca 0.20 -1.33 -0.31 0.00 -0.01 0.00 0.00 57.00 55.55 2nya n GLN 169 Cb 0.09 -1.05 -0.04 0.00 1.02 0.00 0.00 30.24 30.26 2nya n GLN 169 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2nya s ALA 170 N -0.76 3.26 -0.22 -1.58 0.00 -0.84 -4.50 121.76 117.11 2nya s ALA 170 Ca 0.04 -0.03 0.10 0.00 0.00 0.00 0.00 51.96 52.07 2nya s ALA 170 Cb 0.02 -2.84 -0.21 0.00 0.00 0.00 0.00 23.12 20.09 2nya s ALA 170 CO 0.03 -0.01 -0.06 -0.25 0.00 0.00 0.00 175.76 175.48 2nya n ASP 171 N -1.19 0.96 -4.07 0.00 8.00 0.03 -4.94 116.55 115.34 2nya n ASP 171 Ca 0.04 -0.06 -0.13 0.00 0.71 0.00 0.00 54.79 55.35 2nya n ASP 171 Cb 0.54 0.30 -0.11 0.00 -0.02 0.00 0.00 41.12 41.83 2nya n ASP 171 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nya s ALA 172 N -2.51 0.61 -0.10 2.24 0.00 -0.85 -0.47 121.76 120.69 2nya s ALA 172 Ca -0.22 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 50.96 2nya s ALA 172 Cb 0.07 0.05 0.01 0.00 0.00 0.00 0.00 23.12 23.25 2nya s ALA 172 CO 0.72 -0.04 -0.20 -0.06 0.00 0.00 0.00 175.76 176.18 2nya s PHE 173 N -1.57 2.28 -0.22 0.00 0.40 -0.63 -1.50 117.98 116.73 2nya s PHE 173 Ca -0.08 -0.96 0.01 0.00 -0.60 0.00 0.00 56.93 55.30 2nya s PHE 173 Cb -0.09 -1.56 0.03 0.00 0.51 0.00 0.00 43.02 41.92 2nya s PHE 173 CO -0.00 -0.41 -0.13 0.08 0.70 0.00 0.00 175.22 175.46 2nya s VAL 174 N 0.51 2.38 -0.31 -0.44 1.01 -0.25 -0.28 120.40 123.01 2nya s VAL 174 Ca -0.16 -1.15 -0.11 0.00 0.00 0.00 0.00 61.98 60.56 2nya s VAL 174 Cb -0.17 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 2nya s VAL 174 CO 0.06 0.27 0.20 -0.76 0.00 0.00 0.00 175.10 174.87 2nya s LEU 175 N 1.25 4.24 -1.03 3.92 1.43 -0.06 -0.24 118.68 128.19 2nya s LEU 175 Ca -0.00 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.70 2nya s LEU 175 Cb -0.16 -2.08 0.16 0.00 0.03 0.00 0.00 46.19 44.14 2nya s LEU 175 CO -0.08 -0.17 2.34 0.79 0.23 0.00 0.00 176.35 179.46 2nya n TRP 176 N 5.05 2.43 -0.24 0.29 7.02 0.14 -1.71 117.44 130.42 2nya n TRP 176 Ca -0.13 -2.53 0.00 0.00 -1.02 0.00 0.00 57.50 53.82 2nya n TRP 176 Cb 0.50 -1.56 0.00 0.00 -2.42 0.00 0.00 31.31 27.83 2nya n TRP 176 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2nya n GLY 177 N 1.01 0.66 3.59 6.99 0.00 -0.56 -4.39 105.19 112.49 2nya n GLY 177 Ca 0.56 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.15 2nya n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nya s ALA 178 N -2.52 3.05 -1.22 4.61 0.00 -1.26 -4.53 121.76 119.88 2nya s ALA 178 Ca 0.00 -0.47 -0.16 0.00 0.00 0.00 0.00 51.96 51.34 2nya s ALA 178 Cb 0.00 -3.96 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 2nya s ALA 178 CO 0.00 -2.46 2.20 -1.71 0.00 0.00 0.00 175.76 173.79 2nya n ASN 179 N 8.47 3.99 0.27 0.00 4.05 -1.26 -4.78 115.26 126.01 2nya n ASN 179 Ca 0.13 -2.73 0.13 0.00 0.45 0.00 0.00 54.58 52.56 2nya n ASN 179 Cb 0.49 -1.44 0.76 0.00 1.23 0.00 0.00 39.78 40.82 2nya n ASN 179 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 177.26 174.45 2nya h MET 180 N 6.52 0.00 -0.95 1.20 2.86 -1.93 -2.25 114.93 120.38 2nya h MET 180 Ca 0.55 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 58.25 2nya h MET 180 Cb 0.58 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.18 2nya h MET 180 CO 1.87 0.10 0.61 0.00 1.06 0.00 0.00 176.91 180.55 2nya h ALA 181 N 1.90 1.47 0.00 6.32 0.00 -1.88 -2.32 119.26 124.76 2nya h ALA 181 Ca -0.00 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 2nya h ALA 181 Cb 0.26 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2nya h ALA 181 CO 0.01 0.39 -2.25 0.39 0.00 0.00 0.00 179.25 177.79 2nya n GLU 182 N -4.49 0.74 -0.00 0.00 1.02 -1.02 -4.42 120.64 112.46 2nya n GLU 182 Ca 0.14 -0.06 0.07 0.00 -0.02 0.00 0.00 57.16 57.29 2nya n GLU 182 Cb 0.19 -1.51 -0.10 0.00 -0.02 0.00 0.00 31.44 30.01 2nya n GLU 182 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2nya n MET 183 N -2.59 1.19 -2.83 3.49 2.81 -0.88 -4.36 117.12 113.95 2nya n MET 183 Ca -0.24 -0.08 -0.15 0.00 -1.81 0.00 0.00 57.70 55.42 2nya n MET 183 Cb 0.98 -1.26 0.00 0.00 -0.71 0.00 0.00 33.22 32.23 2nya n MET 183 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2nya n HIS 184 N -1.74 1.25 -0.24 2.03 8.25 -0.88 -4.80 115.22 119.09 2nya n HIS 184 Ca -0.01 -3.23 0.04 0.00 -0.26 0.00 0.00 57.72 54.27 2nya n HIS 184 Cb 0.31 -0.37 0.17 0.00 1.12 0.00 0.00 29.99 31.22 2nya n HIS 184 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2nya h PRO 185 N 2.96 0.35 -0.56 -0.41 0.11 -1.75 0.29 132.00 132.98 2nya h PRO 185 Ca 0.02 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 2nya h PRO 185 Cb 1.04 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 2nya h PRO 185 CO 0.56 0.23 0.15 0.82 -0.21 0.00 0.00 178.00 179.54 2nya h ILE 186 N 0.36 1.23 -0.30 4.15 5.03 -1.92 0.20 117.51 126.26 2nya h ILE 186 Ca 0.39 -0.81 -0.01 0.00 -0.12 0.00 0.00 64.86 64.31 2nya h ILE 186 Cb 0.61 0.64 -0.01 0.00 -3.03 0.00 0.00 36.82 35.02 2nya h ILE 186 CO -0.43 0.31 0.13 -0.07 -0.68 0.00 0.00 178.15 177.41 2nya h LEU 187 N 0.83 0.40 -0.38 1.44 3.38 -0.83 -2.46 115.31 117.68 2nya h LEU 187 Ca 0.18 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2nya h LEU 187 Cb 0.28 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 2nya h LEU 187 CO -0.00 0.44 0.04 -0.25 0.09 0.00 0.00 178.44 178.75 2nya h TRP 188 N 0.34 0.05 -0.56 1.13 -0.00 -0.53 -1.15 115.95 115.23 2nya h TRP 188 Ca 0.10 0.03 0.06 0.00 -0.00 0.00 0.00 58.89 59.08 2nya h TRP 188 Cb 0.15 0.03 -0.05 0.00 -0.00 0.00 0.00 29.16 29.29 2nya h TRP 188 CO -0.01 -0.03 0.27 1.03 -0.00 0.00 0.00 178.44 179.69 2nya h SER 189 N 0.15 0.36 -0.12 2.65 0.87 -0.56 0.64 113.55 117.53 2nya h SER 189 Ca 0.19 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.74 2nya h SER 189 Cb 0.24 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2nya h SER 189 CO -0.28 0.24 -0.06 0.03 -0.53 0.00 0.00 176.83 176.23 2nya h ARG 190 N 0.50 0.41 0.44 2.24 3.08 -1.11 -1.02 114.38 118.92 2nya h ARG 190 Ca 0.26 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 2nya h ARG 190 Cb 0.21 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2nya h ARG 190 CO -0.20 0.49 -0.21 0.82 -1.07 0.00 0.00 179.97 179.79 2nya h ILE 191 N 0.39 0.32 -0.90 2.04 2.04 0.30 -2.24 117.51 119.46 2nya h ILE 191 Ca 0.08 -0.58 0.10 0.00 1.00 0.00 0.00 64.86 65.47 2nya h ILE 191 Cb 0.36 0.49 -0.13 0.00 -0.74 0.00 0.00 36.82 36.80 2nya h ILE 191 CO 0.02 0.06 -0.51 0.74 0.00 0.00 0.00 178.15 178.46 2nya h THR 192 N -1.02 0.01 -0.79 -0.27 2.02 0.20 0.20 112.91 113.25 2nya h THR 192 Ca -0.06 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.29 2nya h THR 192 Cb 0.56 0.01 -0.14 0.00 -1.74 0.00 0.00 68.15 66.83 2nya h THR 192 CO 0.10 0.00 -0.09 0.78 0.37 0.00 0.00 175.52 176.68 2nya h ASN 193 N -0.06 -0.54 0.28 4.18 4.21 -1.17 0.79 115.58 123.27 2nya h ASN 193 Ca 0.21 0.22 -0.01 0.00 1.21 0.00 0.00 56.30 57.92 2nya h ASN 193 Cb 0.49 0.43 0.00 0.00 -1.12 0.00 0.00 38.32 38.12 2nya h ASN 193 CO -0.89 -0.23 -0.13 -0.09 -1.29 0.00 0.00 177.43 174.79 2nya h ARG 194 N 0.04 -0.36 -0.06 0.81 9.65 -0.19 -1.50 114.38 122.78 2nya h ARG 194 Ca 0.41 0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.35 2nya h ARG 194 Cb 0.70 0.08 -0.04 0.00 -1.39 0.00 0.00 29.97 29.32 2nya h ARG 194 CO -0.76 -0.08 -0.19 -0.09 2.80 0.00 0.00 179.97 181.65 2nya h ARG 195 N -0.63 -0.27 0.00 0.20 9.65 -0.18 -3.06 114.38 120.09 2nya h ARG 195 Ca -0.04 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2nya h ARG 195 Cb 0.45 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 2nya h ARG 195 CO 0.06 -0.18 0.00 1.28 2.80 0.00 0.00 179.97 183.93 2nya n LEU 196 N -5.33 0.62 -1.08 3.80 4.32 0.27 -2.23 117.00 117.38 2nya n LEU 196 Ca -0.04 0.67 -0.02 0.00 -0.02 0.00 0.00 56.01 56.60 2nya n LEU 196 Cb 0.24 -0.60 0.21 0.00 -1.62 0.00 0.00 43.42 41.65 2nya n LEU 196 CO 0.22 -0.58 0.69 -1.54 -1.22 0.00 0.00 177.39 174.96 2nya n SER 197 N -2.20 2.68 -3.15 -1.43 3.41 -0.57 -4.90 113.62 107.45 2nya n SER 197 Ca 0.02 -3.64 0.05 0.00 -0.26 0.00 0.00 58.87 55.03 2nya n SER 197 Cb 0.21 -0.62 -0.01 0.00 -0.26 0.00 0.00 64.21 63.53 2nya n SER 197 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2nya s ASN 198 N -2.46 -1.05 0.51 4.04 3.84 -0.94 -5.01 114.94 113.87 2nya s ASN 198 Ca 0.44 0.42 0.33 0.00 0.21 0.00 0.00 52.86 54.26 2nya s ASN 198 Cb 0.39 1.78 1.46 0.00 -0.55 0.00 0.00 41.25 44.34 2nya s ASN 198 CO 0.01 -0.19 1.98 0.06 -2.79 0.00 0.00 177.10 176.17 2nya h GLN 199 N 7.88 0.00 -0.34 0.43 3.07 -1.90 -3.06 115.11 121.18 2nya h GLN 199 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.61 2nya h GLN 199 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.73 2nya h GLN 199 CO 0.08 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.09 2nya n ASN 200 N -2.89 1.81 -4.36 0.06 5.03 -1.26 -4.83 115.26 108.82 2nya n ASN 200 Ca 0.00 -2.00 -0.32 0.00 0.87 0.00 0.00 54.58 53.13 2nya n ASN 200 Cb 0.24 -0.23 -0.15 0.00 -1.02 0.00 0.00 39.78 38.62 2nya n ASN 200 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2nya s VAL 201 N -1.55 2.63 0.13 2.41 1.01 -1.16 -4.93 120.40 118.95 2nya s VAL 201 Ca 0.23 -0.85 0.09 0.00 0.00 0.00 0.00 61.98 61.45 2nya s VAL 201 Cb 0.12 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2nya s VAL 201 CO 0.15 0.56 -0.17 -0.89 0.00 0.00 0.00 175.10 174.75 2nya s THR 202 N -0.18 2.86 -0.07 3.92 2.01 0.38 -4.93 115.64 119.63 2nya s THR 202 Ca -0.02 -1.56 -0.02 0.00 0.31 0.00 0.00 61.69 60.41 2nya s THR 202 Cb -0.14 -2.33 0.03 0.00 0.01 0.00 0.00 72.50 70.07 2nya s THR 202 CO 0.03 0.06 0.03 -0.69 -0.69 0.00 0.00 174.62 173.36 2nya s VAL 203 N -1.26 0.22 -0.16 3.82 1.01 -1.26 -1.60 120.40 121.17 2nya s VAL 203 Ca 0.19 0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.33 2nya s VAL 203 Cb -0.10 -0.45 -0.00 0.00 0.00 0.00 0.00 36.38 35.83 2nya s VAL 203 CO 0.11 0.19 -0.14 0.00 0.00 0.00 0.00 175.10 175.26 2nya s ALA 204 N 2.03 2.54 -0.20 5.51 0.00 0.61 -0.63 121.76 131.63 2nya s ALA 204 Ca 0.05 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2nya s ALA 204 Cb -0.13 -1.28 0.03 0.00 0.00 0.00 0.00 23.12 21.74 2nya s ALA 204 CO -0.05 -0.06 -0.17 0.08 0.00 0.00 0.00 175.76 175.56 2nya s VAL 205 N 0.86 2.20 0.03 0.00 1.01 -0.60 -0.89 120.40 123.02 2nya s VAL 205 Ca -0.04 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.92 2nya s VAL 205 Cb -0.15 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 2nya s VAL 205 CO -0.01 0.41 0.03 -0.76 0.00 0.00 0.00 175.10 174.77 2nya s LEU 206 N 1.27 3.62 0.11 3.92 1.02 -0.69 -0.84 118.68 127.08 2nya s LEU 206 Ca 0.02 -0.01 -0.26 0.00 0.02 0.00 0.00 54.13 53.90 2nya s LEU 206 Cb -0.15 -2.16 0.07 0.00 0.02 0.00 0.00 46.19 43.98 2nya s LEU 206 CO -0.11 0.24 0.90 -0.55 0.02 0.00 0.00 176.35 176.86 2nya s SER 207 N -1.84 -0.27 0.12 2.29 0.15 0.22 -1.50 113.70 112.88 2nya s SER 207 Ca 0.23 -0.25 0.23 0.00 0.70 0.00 0.00 55.95 56.85 2nya s SER 207 Cb -0.12 0.47 0.08 0.00 -1.71 0.00 0.00 66.02 64.74 2nya s SER 207 CO 0.14 -0.84 1.07 0.41 1.20 0.00 0.00 173.24 175.22 2nya n THR 208 N -0.39 0.37 -3.72 6.45 -1.04 -1.26 -1.22 114.28 113.48 2nya n THR 208 Ca -0.08 -0.39 -0.13 0.00 -2.04 0.00 0.00 64.05 61.41 2nya n THR 208 Cb 0.61 -0.10 -0.08 0.00 -1.82 0.00 0.00 70.33 68.95 2nya n THR 208 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 2nya s TYR 209 N -3.28 -0.23 0.28 -1.42 -0.85 -1.26 -4.53 117.35 106.06 2nya s TYR 209 Ca 0.02 0.30 -0.29 0.00 -0.52 0.00 0.00 57.07 56.58 2nya s TYR 209 Cb 0.12 0.15 -0.10 0.00 0.38 0.00 0.00 41.96 42.52 2nya s TYR 209 CO 0.78 -0.46 1.24 -1.14 -1.52 0.00 0.00 175.55 174.46 2nya s GLN 210 N -1.71 4.45 0.26 -3.49 0.74 -0.82 -4.85 119.66 114.24 2nya s GLN 210 Ca -0.10 2.05 -0.00 0.00 0.05 0.00 0.00 55.36 57.35 2nya s GLN 210 Cb -0.03 -3.14 0.00 0.00 1.10 0.00 0.00 33.01 30.94 2nya s GLN 210 CO 0.03 -0.09 0.34 -2.39 -0.55 0.00 0.00 175.29 172.63 2nya n HIS 211 N 1.42 -1.11 0.06 1.67 1.44 -1.26 0.36 115.22 117.81 2nya n HIS 211 Ca 0.01 -1.78 0.04 0.00 -2.01 0.00 0.00 57.72 53.98 2nya n HIS 211 Cb 0.43 0.38 0.23 0.00 0.12 0.00 0.00 29.99 31.15 2nya n HIS 211 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2nya n ARG 212 N -0.43 0.05 0.11 -1.40 1.74 -1.25 -2.13 116.66 113.35 2nya n ARG 212 Ca 0.01 0.54 0.13 0.00 -0.77 0.00 0.00 57.85 57.77 2nya n ARG 212 Cb 0.44 -1.70 0.42 0.00 -1.02 0.00 0.00 32.46 30.60 2nya n ARG 212 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2nya n SER 213 N -1.79 0.80 -0.03 0.55 7.64 -1.26 -3.99 113.62 115.55 2nya n SER 213 Ca -0.01 0.59 -0.15 0.00 1.01 0.00 0.00 58.87 60.31 2nya n SER 213 Cb 0.03 -0.80 -0.12 0.00 -1.01 0.00 0.00 64.21 62.31 2nya n SER 213 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 2nya h PHE 214 N 0.00 0.22 0.00 1.43 -1.00 -1.83 -3.22 116.94 112.54 2nya h PHE 214 Ca 0.00 -0.13 0.00 0.00 2.81 0.00 0.00 57.97 60.65 2nya h PHE 214 Cb 0.69 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.23 2nya h PHE 214 CO 0.00 0.97 0.00 -1.91 -1.61 0.00 0.00 178.31 175.76 2nya n GLU 215 N -4.50 0.00 0.00 1.51 2.13 -1.26 0.23 120.64 118.75 2nya n GLU 215 Ca -0.10 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.84 2nya n GLU 215 Cb 0.52 0.00 0.15 0.00 0.27 0.00 0.00 31.44 32.39 2nya n GLU 215 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2nya n LEU 216 N -2.29 1.48 -4.61 4.31 7.94 -1.22 -4.93 117.00 117.68 2nya n LEU 216 Ca 0.00 -0.50 -0.43 0.00 -1.11 0.00 0.00 56.01 53.97 2nya n LEU 216 Cb 0.00 -0.06 -0.03 0.00 0.53 0.00 0.00 43.42 43.86 2nya n LEU 216 CO 0.00 0.28 1.48 0.00 -1.11 0.00 0.00 177.39 178.04 2nya s ALA 217 N -2.55 3.05 0.15 1.96 0.00 0.62 -4.76 121.76 120.23 2nya s ALA 217 Ca 0.20 0.39 -0.20 0.00 0.00 0.00 0.00 51.96 52.34 2nya s ALA 217 Cb 0.18 -3.95 0.04 0.00 0.00 0.00 0.00 23.12 19.40 2nya s ALA 217 CO 0.58 -2.33 1.66 -0.44 0.00 0.00 0.00 175.76 175.22 2nya h ASP 218 N 12.01 -0.49 -3.69 0.00 3.32 -1.17 -3.38 116.42 123.01 2nya h ASP 218 Ca -0.34 0.11 -0.67 0.00 0.02 0.00 0.00 57.03 56.15 2nya h ASP 218 Cb 1.17 0.27 -0.38 0.00 0.22 0.00 0.00 39.33 40.60 2nya h ASP 218 CO 1.01 -0.18 -0.71 0.21 -1.72 0.00 0.00 179.24 177.85 2nya s ASN 219 N -5.13 4.80 -0.23 6.45 3.04 -0.78 -5.02 114.94 118.08 2nya s ASN 219 Ca -0.14 -1.99 -0.04 0.00 0.04 0.00 0.00 52.86 50.73 2nya s ASN 219 Cb 0.13 -1.65 -0.01 0.00 -1.54 0.00 0.00 41.25 38.18 2nya s ASN 219 CO 0.69 -0.37 -0.04 -0.83 -3.04 0.00 0.00 177.10 173.52 2nya s GLY 220 N 1.08 1.62 -0.09 1.21 0.00 -1.26 -1.56 107.32 108.33 2nya s GLY 220 Ca 0.07 -1.19 0.04 0.00 0.00 0.00 0.00 44.72 43.63 2nya s GLY 220 CO -0.07 0.45 -0.21 -0.42 0.00 0.00 0.00 173.10 172.85 2nya s ILE 221 N 1.48 1.79 -0.19 0.90 1.01 -0.02 -4.99 121.20 121.17 2nya s ILE 221 Ca 0.05 -0.87 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 2nya s ILE 221 Cb -0.14 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 2nya s ILE 221 CO -0.03 0.50 0.04 -0.63 0.00 0.00 0.00 174.94 174.82 2nya s ILE 222 N 0.39 4.43 0.11 2.92 1.09 -1.25 -0.61 121.20 128.28 2nya s ILE 222 Ca -0.16 -0.16 0.04 0.00 -1.10 0.00 0.00 60.65 59.27 2nya s ILE 222 Cb -0.17 -3.00 -0.04 0.00 -1.06 0.00 0.00 42.46 38.19 2nya s ILE 222 CO 0.07 0.44 -0.10 0.72 -0.10 0.00 0.00 174.94 175.97 2nya s PHE 223 N 0.66 1.13 0.27 3.97 -0.12 -0.36 -4.52 117.98 119.01 2nya s PHE 223 Ca 0.02 -0.68 -0.30 0.00 -0.05 0.00 0.00 56.93 55.92 2nya s PHE 223 Cb -0.14 -0.61 -0.09 0.00 -0.63 0.00 0.00 43.02 41.55 2nya s PHE 223 CO 0.02 0.03 1.08 -0.08 -0.05 0.00 0.00 175.22 176.22 2nya s THR 224 N -2.67 3.58 0.18 -4.49 -1.32 -0.79 -4.33 115.64 105.80 2nya s THR 224 Ca 0.09 1.57 -0.32 0.00 -1.21 0.00 0.00 61.69 61.81 2nya s THR 224 Cb -0.01 -4.00 -0.16 0.00 -1.51 0.00 0.00 72.50 66.82 2nya s THR 224 CO 0.00 0.37 1.11 -2.65 -2.21 0.00 0.00 174.62 171.24 2nya n PRO 225 N 1.33 1.05 0.00 7.08 -0.02 -1.26 -1.81 135.00 141.37 2nya n PRO 225 Ca -0.01 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2nya n PRO 225 Cb 0.45 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 2nya n PRO 225 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2nya n GLN 226 N 1.61 0.00 0.00 -0.52 1.13 -1.26 -4.84 117.38 113.50 2nya n GLN 226 Ca 0.15 0.00 0.09 0.00 -1.94 0.00 0.00 57.00 55.30 2nya n GLN 226 Cb 0.24 -0.85 0.46 0.00 0.11 0.00 0.00 30.24 30.20 2nya n GLN 226 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2nya n SER 227 N 0.10 0.00 -0.07 1.08 3.41 -0.75 -2.50 113.62 114.89 2nya n SER 227 Ca 0.00 -0.08 0.06 0.00 -0.26 0.00 0.00 58.87 58.59 2nya n SER 227 Cb 0.00 -0.23 0.41 0.00 -0.26 0.00 0.00 64.21 64.13 2nya n SER 227 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2nya h ASP 228 N 0.00 0.52 -0.45 4.04 3.04 -1.91 -1.66 116.42 120.01 2nya h ASP 228 Ca 0.00 -0.01 0.01 0.00 -3.24 0.00 0.00 57.03 53.79 2nya h ASP 228 Cb 0.13 -0.12 -0.02 0.00 -1.04 0.00 0.00 39.33 38.28 2nya h ASP 228 CO 0.00 0.36 0.30 -0.07 -2.04 0.00 0.00 179.24 177.79 2nya h LEU 229 N 0.61 0.51 0.32 0.15 3.38 -1.90 0.46 115.31 118.84 2nya h LEU 229 Ca 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2nya h LEU 229 Cb 0.11 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2nya h LEU 229 CO -0.06 0.37 -0.40 0.58 0.09 0.00 0.00 178.44 179.02 2nya h VAL 230 N 0.60 0.19 -0.59 1.22 2.07 -1.59 -2.31 116.25 115.84 2nya h VAL 230 Ca 0.17 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.80 2nya h VAL 230 Cb -0.07 0.19 -0.09 0.00 -1.52 0.00 0.00 31.29 29.80 2nya h VAL 230 CO -0.04 0.00 0.07 0.40 0.02 0.00 0.00 177.57 178.03 2nya h ILE 231 N -0.76 0.59 -0.17 4.57 2.04 -0.84 0.27 117.51 123.20 2nya h ILE 231 Ca -0.02 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.78 2nya h ILE 231 Cb 0.71 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2nya h ILE 231 CO -0.12 0.04 0.10 -0.07 0.00 0.00 0.00 178.15 178.10 2nya h LEU 232 N 0.19 0.15 0.08 1.44 3.38 0.03 -0.59 115.31 120.00 2nya h LEU 232 Ca 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 2nya h LEU 232 Cb 0.48 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2nya h LEU 232 CO -0.45 0.12 -0.04 0.78 0.09 0.00 0.00 178.44 178.94 2nya h ASN 233 N 0.20 -0.09 -0.63 -0.43 -0.26 -1.14 -2.94 115.58 110.30 2nya h ASN 233 Ca 0.07 -0.02 0.13 0.00 -0.56 0.00 0.00 56.30 55.92 2nya h ASN 233 Cb -0.00 0.02 -0.11 0.00 -1.06 0.00 0.00 38.32 37.17 2nya h ASN 233 CO -0.03 -0.04 -0.03 0.22 -1.06 0.00 0.00 177.43 176.49 2nya h TYR 234 N -0.12 -0.09 -0.51 1.19 3.20 0.05 0.22 116.97 120.90 2nya h TYR 234 Ca -0.01 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 2nya h TYR 234 Cb 0.10 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2nya h TYR 234 CO -0.07 -0.19 0.26 0.82 -1.64 0.00 0.00 178.16 177.34 2nya h ILE 235 N 0.09 1.17 -0.31 1.81 2.04 -1.10 0.12 117.51 121.33 2nya h ILE 235 Ca 0.33 -0.45 -0.13 0.00 1.00 0.00 0.00 64.86 65.61 2nya h ILE 235 Cb 0.53 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2nya h ILE 235 CO -0.56 0.19 -0.30 0.00 0.00 0.00 0.00 178.15 177.48 2nya h ALA 236 N 1.57 0.46 0.04 1.87 0.00 -0.85 -1.04 119.26 121.32 2nya h ALA 236 Ca 0.18 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2nya h ALA 236 Cb 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2nya h ALA 236 CO -0.03 0.49 -0.40 -0.97 0.00 0.00 0.00 179.25 178.34 2nya h ASN 237 N 0.52 -1.21 -0.91 0.00 -0.00 -0.57 -2.65 115.58 110.76 2nya h ASN 237 Ca 0.05 0.13 0.21 0.00 -0.00 0.00 0.00 56.30 56.70 2nya h ASN 237 Cb 0.87 0.45 -0.17 0.00 -0.00 0.00 0.00 38.32 39.48 2nya h ASN 237 CO 0.07 -0.40 -0.07 0.22 -0.00 0.00 0.00 177.43 177.25 2nya h TYR 238 N -0.53 -0.21 0.14 0.67 5.03 -0.67 0.16 116.97 121.56 2nya h TYR 238 Ca 0.00 0.07 0.01 0.00 2.58 0.00 0.00 58.73 61.39 2nya h TYR 238 Cb 0.55 0.23 -0.02 0.00 1.55 0.00 0.00 36.73 39.04 2nya h TYR 238 CO -0.45 -0.37 -0.19 0.82 -1.32 0.00 0.00 178.16 176.66 2nya h ILE 239 N 0.03 0.58 0.26 1.81 2.04 -0.95 -1.76 117.51 119.52 2nya h ILE 239 Ca 0.50 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.35 2nya h ILE 239 Cb 0.90 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 2nya h ILE 239 CO -0.87 0.00 -0.33 0.40 0.00 0.00 0.00 178.15 177.36 2nya h ILE 240 N -0.38 0.00 -0.40 -0.67 1.08 -1.05 0.17 117.51 116.27 2nya h ILE 240 Ca 0.02 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.60 2nya h ILE 240 Cb 0.38 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.11 2nya h ILE 240 CO -0.08 0.00 1.02 1.67 -0.69 0.00 0.00 178.15 180.07 2nya n GLN 241 N -4.35 0.02 -0.71 2.37 -0.06 0.48 0.68 117.38 115.81 2nya n GLN 241 Ca -0.07 0.91 0.03 0.00 -2.00 0.00 0.00 57.00 55.87 2nya n GLN 241 Cb 0.29 -2.39 0.20 0.00 -4.06 0.00 0.00 30.24 24.28 2nya n GLN 241 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 2nya n ASN 242 N -2.67 2.02 -3.14 1.69 3.02 -0.67 -4.97 115.26 110.54 2nya n ASN 242 Ca 0.09 -3.88 -0.16 0.00 -0.03 0.00 0.00 54.58 50.60 2nya n ASN 242 Cb 1.14 -0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 39.74 2nya n ASN 242 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2nya n ASN 243 N -1.10 -1.24 -0.50 6.41 0.23 0.21 -4.79 115.26 114.48 2nya n ASN 243 Ca 0.23 -0.17 0.06 0.00 -0.53 0.00 0.00 54.58 54.16 2nya n ASN 243 Cb 0.76 -1.15 0.18 0.00 -2.08 0.00 0.00 39.78 37.49 2nya n ASN 243 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2nya n ALA 244 N -2.92 2.47 -2.42 -2.53 0.00 0.02 -4.89 120.51 110.25 2nya n ALA 244 Ca 0.04 -0.48 -0.42 0.00 0.00 0.00 0.00 53.44 52.58 2nya n ALA 244 Cb 0.45 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 2nya n ALA 244 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2nya s ILE 245 N -1.66 4.16 -0.61 0.00 1.01 -1.26 -4.74 121.20 118.09 2nya s ILE 245 Ca 0.21 1.49 -0.26 0.00 0.00 0.00 0.00 60.65 62.09 2nya s ILE 245 Cb 0.11 -3.96 -0.06 0.00 0.01 0.00 0.00 42.46 38.56 2nya s ILE 245 CO 0.15 -0.00 2.21 0.21 0.00 0.00 0.00 174.94 177.51 2nya s ASN 246 N 1.56 4.64 0.18 3.58 3.84 -0.83 -4.84 114.94 123.07 2nya s ASN 246 Ca 0.57 0.54 -0.10 0.00 0.21 0.00 0.00 52.86 54.08 2nya s ASN 246 Cb -0.26 -2.52 0.08 0.00 -0.55 0.00 0.00 41.25 38.00 2nya s ASN 246 CO 0.23 -2.89 1.68 1.56 -2.79 0.00 0.00 177.10 174.88 2nya h GLN 247 N 16.44 1.02 0.34 0.43 1.08 -1.92 -1.31 115.11 131.20 2nya h GLN 247 Ca -0.18 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 56.74 2nya h GLN 247 Cb 1.17 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 2nya h GLN 247 CO 1.16 0.94 -0.16 0.22 -0.95 0.00 0.00 178.83 180.04 2nya h ASP 248 N 0.93 -0.39 0.28 1.46 3.58 -1.99 -1.95 116.42 118.35 2nya h ASP 248 Ca 0.19 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 2nya h ASP 248 Cb 0.40 0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2nya h ASP 248 CO 0.01 -0.20 -0.13 0.15 -2.88 0.00 0.00 179.24 176.19 2nya h PHE 249 N -0.56 -0.35 -0.96 0.28 3.57 -1.96 -1.91 116.94 115.06 2nya h PHE 249 Ca -0.05 -0.01 0.28 0.00 3.53 0.00 0.00 57.97 61.72 2nya h PHE 249 Cb 0.41 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 2nya h PHE 249 CO -0.03 -0.14 0.71 0.35 -2.23 0.00 0.00 178.31 176.97 2nya h PHE 250 N -0.48 0.00 0.01 0.41 3.57 -1.21 0.14 116.94 119.37 2nya h PHE 250 Ca -0.04 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.33 2nya h PHE 250 Cb 0.36 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 2nya h PHE 250 CO -0.03 0.00 -0.69 0.77 -2.23 0.00 0.00 178.31 176.13 2nya h SER 251 N 0.00 0.03 1.78 0.41 0.02 -0.95 -3.24 113.55 111.61 2nya h SER 251 Ca 0.46 -0.76 -0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2nya h SER 251 Cb 1.87 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 64.40 2nya h SER 251 CO -0.00 1.27 -0.01 0.11 -1.14 0.00 0.00 176.83 177.06 2nya h LYS 252 N -0.94 0.00 0.00 3.45 1.57 -0.81 -3.41 116.57 116.43 2nya h LYS 252 Ca -0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2nya h LYS 252 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2nya h LYS 252 CO -0.09 0.01 0.00 0.72 -0.57 0.00 0.00 179.45 179.52 2nya n HIS 253 N -3.10 0.00 -4.48 -1.35 8.25 -0.01 -4.92 115.22 109.61 2nya n HIS 253 Ca 0.03 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.24 2nya n HIS 253 Cb 0.49 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.46 2nya n HIS 253 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2nya s VAL 254 N -0.14 1.69 0.16 1.59 1.01 -1.22 -1.82 120.40 121.67 2nya s VAL 254 Ca 0.00 -1.35 0.10 0.00 0.00 0.00 0.00 61.98 60.73 2nya s VAL 254 Cb 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 2nya s VAL 254 CO 0.00 0.09 -0.23 0.20 0.00 0.00 0.00 175.10 175.16 2nya s ASN 255 N -1.51 3.12 -0.09 3.32 0.02 -0.44 -4.88 114.94 114.49 2nya s ASN 255 Ca 0.07 -0.82 0.01 0.00 -1.02 0.00 0.00 52.86 51.10 2nya s ASN 255 Cb -0.09 -0.21 -0.03 0.00 0.02 0.00 0.00 41.25 40.94 2nya s ASN 255 CO 0.03 0.09 -0.09 -0.76 0.02 0.00 0.00 177.10 176.39 2nya s LEU 256 N -2.43 3.03 0.06 0.60 1.43 -1.26 -0.52 118.68 119.59 2nya s LEU 256 Ca 0.16 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 2nya s LEU 256 Cb -0.08 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 2nya s LEU 256 CO 0.08 0.30 -0.11 -0.13 0.23 0.00 0.00 176.35 176.72 2nya s ARG 257 N -0.45 0.70 -0.23 1.70 0.52 0.24 -1.78 118.95 119.64 2nya s ARG 257 Ca 0.06 -0.89 -0.11 0.00 -0.52 0.00 0.00 55.73 54.27 2nya s ARG 257 Cb -0.12 -0.57 -0.05 0.00 0.52 0.00 0.00 34.95 34.74 2nya s ARG 257 CO 0.02 0.12 0.20 0.21 0.02 0.00 0.00 175.30 175.87 2nya s LYS 258 N -1.78 4.09 0.37 3.54 2.20 0.80 0.09 119.74 129.04 2nya s LYS 258 Ca -0.05 -0.18 -0.11 0.00 -0.36 0.00 0.00 55.97 55.26 2nya s LYS 258 Cb -0.09 -3.54 -0.07 0.00 -1.51 0.00 0.00 37.83 32.62 2nya s LYS 258 CO 0.01 0.05 0.74 0.20 -0.36 0.00 0.00 175.35 175.99 2nya s GLY 259 N 1.04 2.07 0.42 5.54 0.00 -1.10 -1.42 107.32 113.88 2nya s GLY 259 Ca 0.10 -0.15 -0.26 0.00 0.00 0.00 0.00 44.72 44.41 2nya s GLY 259 CO 0.05 0.04 1.37 0.00 0.00 0.00 0.00 173.10 174.56 2nya s ALA 260 N -2.22 3.27 0.45 3.20 0.00 0.59 -4.92 121.76 122.14 2nya s ALA 260 Ca 0.52 1.36 0.06 0.00 0.00 0.00 0.00 51.96 53.90 2nya s ALA 260 Cb -0.10 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 2nya s ALA 260 CO 0.27 -1.01 0.17 0.95 0.00 0.00 0.00 175.76 176.13 2nya s THR 261 N -1.22 1.99 -0.93 0.00 -4.23 -1.26 -4.86 115.64 105.12 2nya s THR 261 Ca 0.58 -1.75 -0.05 0.00 -1.18 0.00 0.00 61.69 59.30 2nya s THR 261 Cb -0.41 -2.73 -0.06 0.00 1.34 0.00 0.00 72.50 70.64 2nya s THR 261 CO 0.53 0.00 0.82 -0.67 -0.54 0.00 0.00 174.62 174.76 2nya n ASP 262 N -1.29 -6.38 -1.35 3.99 -0.08 -1.26 -4.42 116.55 105.76 2nya n ASP 262 Ca -0.05 -0.58 0.08 0.00 -1.51 0.00 0.00 54.79 52.73 2nya n ASP 262 Cb 0.65 -4.83 0.32 0.00 2.34 0.00 0.00 41.12 39.60 2nya n ASP 262 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 2nya n ILE 263 N -2.93 2.03 -4.31 5.18 -5.35 -1.26 -1.49 119.36 111.23 2nya n ILE 263 Ca -0.06 -1.39 0.00 0.00 -0.27 0.00 0.00 62.75 61.03 2nya n ILE 263 Cb 0.60 -0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.50 2nya n ILE 263 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nya n GLY 264 N 0.53 -1.16 0.36 3.28 0.00 -1.26 -0.33 105.19 106.60 2nya n GLY 264 Ca 0.23 -1.22 0.02 0.00 0.00 0.00 0.00 46.02 45.06 2nya n GLY 264 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2nya n TYR 265 N -0.27 0.00 -2.56 1.61 4.02 -1.26 -4.70 117.16 114.01 2nya n TYR 265 Ca 0.00 -0.23 -0.21 0.00 -0.01 0.00 0.00 57.90 57.45 2nya n TYR 265 Cb 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.25 2nya n TYR 265 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2nya n GLY 266 N -0.32 -0.49 3.97 2.72 0.00 -1.24 -0.08 105.19 109.75 2nya n GLY 266 Ca 0.03 0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 2nya n GLY 266 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nya s LEU 267 N -6.12 3.03 0.42 0.99 1.43 -1.26 -4.42 118.68 112.75 2nya s LEU 267 Ca 0.08 0.01 -0.26 0.00 -1.03 0.00 0.00 54.13 52.92 2nya s LEU 267 Cb -0.03 -2.60 -0.09 0.00 0.03 0.00 0.00 46.19 43.49 2nya s LEU 267 CO 0.10 -1.59 1.43 -0.13 0.23 0.00 0.00 176.35 176.39 2nya s ARG 268 N -5.07 3.87 0.17 1.70 0.52 -1.26 -4.86 118.95 114.01 2nya s ARG 268 Ca 0.62 2.43 0.20 0.00 -0.52 0.00 0.00 55.73 58.46 2nya s ARG 268 Cb -0.08 -2.77 0.85 0.00 0.52 0.00 0.00 34.95 33.46 2nya s ARG 268 CO 0.43 -0.68 1.61 -0.35 0.02 0.00 0.00 175.30 176.33 2nya n PRO 269 N 0.07 0.12 0.29 3.54 -0.04 -1.26 -0.31 135.00 137.41 2nya n PRO 269 Ca 0.04 0.37 0.16 0.00 -0.04 0.00 0.00 63.50 64.02 2nya n PRO 269 Cb 0.41 -1.74 0.87 0.00 -0.04 0.00 0.00 33.50 33.00 2nya n PRO 269 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2nya h THR 270 N 0.00 0.41 -3.61 0.52 1.35 -1.98 -3.35 112.91 106.24 2nya h THR 270 Ca 0.00 -0.28 -0.52 0.00 -0.55 0.00 0.00 66.41 65.06 2nya h THR 270 Cb 0.31 1.20 0.04 0.00 -1.73 0.00 0.00 68.15 67.96 2nya h THR 270 CO 0.00 0.05 0.61 -2.28 -0.25 0.00 0.00 175.52 173.65 2nya s HIS 271 N -4.27 3.26 0.34 4.73 5.04 0.57 -4.81 115.29 120.15 2nya s HIS 271 Ca -0.04 1.38 0.14 0.00 -1.54 0.00 0.00 55.06 55.00 2nya s HIS 271 Cb 0.13 -3.56 1.08 0.00 0.04 0.00 0.00 32.58 30.28 2nya s HIS 271 CO 0.54 -1.59 1.65 -1.35 -2.34 0.00 0.00 174.74 171.65 2nya h PRO 272 N 4.49 0.26 0.00 2.88 0.11 -1.89 0.56 132.00 138.41 2nya h PRO 272 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2nya h PRO 272 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2nya h PRO 272 CO 0.72 0.17 0.00 -0.07 -0.21 0.00 0.00 178.00 178.61 2nya h LEU 273 N 0.27 0.00 0.11 2.35 3.38 -1.94 -2.20 115.31 117.28 2nya h LEU 273 Ca 0.73 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.41 2nya h LEU 273 Cb 1.69 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 2nya h LEU 273 CO -0.64 0.00 -1.51 -0.33 0.09 0.00 0.00 178.44 176.05 2nya h GLU 274 N 0.00 0.23 -0.92 1.13 4.39 -0.18 -3.18 114.58 116.05 2nya h GLU 274 Ca 0.00 -0.40 0.11 0.00 0.34 0.00 0.00 59.36 59.41 2nya h GLU 274 Cb 0.46 0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 29.19 2nya h GLU 274 CO 0.00 1.19 0.59 0.87 -1.16 0.00 0.00 179.01 180.50 2nya h LYS 275 N -0.28 0.85 0.00 2.33 1.57 -1.41 -2.00 116.57 117.62 2nya h LYS 275 Ca -0.33 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2nya h LYS 275 Cb 1.78 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 33.90 2nya h LYS 275 CO 0.05 0.56 0.00 0.00 -0.57 0.00 0.00 179.45 179.49 2nya n ALA 276 N -2.40 2.03 -1.77 3.86 0.00 -0.83 -4.88 120.51 116.52 2nya n ALA 276 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.20 2nya n ALA 276 Cb 0.36 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 2nya n ALA 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nya s ALA 277 N -3.15 3.45 0.04 0.00 0.00 -0.75 -4.95 121.76 116.39 2nya s ALA 277 Ca 0.09 1.07 -0.15 0.00 0.00 0.00 0.00 51.96 52.97 2nya s ALA 277 Cb 0.12 -3.40 -0.35 0.00 0.00 0.00 0.00 23.12 19.49 2nya s ALA 277 CO 0.49 -0.39 1.02 -0.22 0.00 0.00 0.00 175.76 176.67 2nya h LYS 278 N 3.64 0.54 -2.01 0.00 3.64 -1.80 -3.41 116.57 117.16 2nya h LYS 278 Ca -0.48 -0.89 -0.50 0.00 -1.27 0.00 0.00 60.65 57.51 2nya h LYS 278 Cb 1.22 0.33 -0.40 0.00 -0.41 0.00 0.00 32.23 32.97 2nya h LYS 278 CO 0.66 1.43 -1.17 0.09 -2.27 0.00 0.00 179.45 178.19 2nya n ASN 279 N -3.71 0.85 -4.62 4.20 5.03 -0.56 -5.06 115.26 111.39 2nya n ASN 279 Ca -0.16 -2.98 -0.43 0.00 0.87 0.00 0.00 54.58 51.88 2nya n ASN 279 Cb 1.09 -0.62 -0.03 0.00 -1.02 0.00 0.00 39.78 39.20 2nya n ASN 279 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 2nya n PRO 280 N 0.45 2.34 -1.00 3.52 -0.04 -1.26 -1.50 135.00 137.50 2nya n PRO 280 Ca 0.25 0.75 0.00 0.00 -0.04 0.00 0.00 63.50 64.45 2nya n PRO 280 Cb 0.63 -3.15 0.00 0.00 -0.04 0.00 0.00 33.50 30.94 2nya n PRO 280 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nya n GLY 281 N 5.28 0.49 3.73 0.55 0.00 0.55 -4.96 105.19 110.82 2nya n GLY 281 Ca 0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 2nya n GLY 281 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nya s SER 282 N -2.05 7.45 0.00 1.61 1.04 -0.57 -4.67 113.70 116.51 2nya s SER 282 Ca 0.00 1.81 0.23 0.00 0.48 0.00 0.00 55.95 58.46 2nya s SER 282 Cb 0.00 -2.59 0.54 0.00 0.10 0.00 0.00 66.02 64.07 2nya s SER 282 CO 0.00 -0.11 1.47 -0.90 0.98 0.00 0.00 173.24 174.68 2nya n ASP 283 N 2.92 3.62 -4.41 7.02 5.75 -1.26 -4.78 116.55 125.42 2nya n ASP 283 Ca 0.03 -1.99 -0.43 0.00 -0.01 0.00 0.00 54.79 52.38 2nya n ASP 283 Cb 0.49 -0.36 -0.01 0.00 -1.03 0.00 0.00 41.12 40.21 2nya n ASP 283 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2nya n ALA 284 N 1.53 -2.12 -3.35 2.12 0.00 -1.26 -4.75 120.51 112.68 2nya n ALA 284 Ca 0.22 0.23 -0.13 0.00 0.00 0.00 0.00 53.44 53.76 2nya n ALA 284 Cb 0.60 -1.67 -0.04 0.00 0.00 0.00 0.00 19.45 18.34 2nya n ALA 284 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2nya s SER 285 N -0.94 -0.50 0.07 0.00 1.04 -1.26 -0.30 113.70 111.81 2nya s SER 285 Ca 0.62 0.11 0.05 0.00 0.48 0.00 0.00 55.95 57.20 2nya s SER 285 Cb -0.69 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 65.94 2nya s SER 285 CO 0.59 -0.84 -0.14 -1.61 0.98 0.00 0.00 173.24 172.23 2nya s GLU 286 N -3.06 0.81 0.77 4.02 0.41 -0.51 -4.97 118.70 116.18 2nya s GLU 286 Ca -0.02 -0.96 -0.16 0.00 -0.41 0.00 0.00 54.97 53.43 2nya s GLU 286 Cb -0.00 -0.79 -0.03 0.00 -1.78 0.00 0.00 34.13 31.52 2nya s GLU 286 CO -0.07 0.17 0.48 -2.30 -0.49 0.00 0.00 175.26 173.05 2nya n PRO 287 N 1.25 0.17 -3.77 0.39 -0.02 -1.26 -0.14 135.00 131.62 2nya n PRO 287 Ca -0.21 0.10 -0.13 0.00 -2.02 0.00 0.00 63.50 61.24 2nya n PRO 287 Cb 0.54 -1.81 -0.13 0.00 -0.02 0.00 0.00 33.50 32.08 2nya n PRO 287 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2nya s MET 288 N -2.91 0.22 0.63 -0.52 1.75 -0.73 -4.48 119.30 113.26 2nya s MET 288 Ca 0.63 0.39 -0.15 0.00 -1.25 0.00 0.00 55.69 55.31 2nya s MET 288 Cb -0.32 0.01 -0.02 0.00 2.84 0.00 0.00 34.83 37.34 2nya s MET 288 CO 0.60 -0.09 1.09 -1.54 -0.65 0.00 0.00 175.02 174.43 2nya s SER 289 N 0.63 5.40 0.23 1.11 1.04 -1.26 -4.57 113.70 116.28 2nya s SER 289 Ca -0.04 1.92 -0.06 0.00 0.48 0.00 0.00 55.95 58.24 2nya s SER 289 Cb -0.06 -2.54 0.33 0.00 0.10 0.00 0.00 66.02 63.85 2nya s SER 289 CO -0.04 -1.43 1.82 0.15 0.98 0.00 0.00 173.24 174.72 2nya h PHE 290 N 0.19 0.81 -0.59 5.02 3.57 -2.00 -1.33 116.94 122.62 2nya h PHE 290 Ca -0.47 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.07 2nya h PHE 290 Cb 1.23 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 2nya h PHE 290 CO 0.56 0.36 0.39 1.49 -2.23 0.00 0.00 178.31 178.89 2nya h GLU 291 N 0.78 0.77 -0.10 1.11 4.57 -1.99 -0.40 114.58 119.33 2nya h GLU 291 Ca 0.36 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.53 2nya h GLU 291 Cb 0.27 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 2nya h GLU 291 CO -0.21 0.51 -0.14 -0.44 -1.18 0.00 0.00 179.01 177.54 2nya h ASP 292 N 0.79 -0.44 -0.30 1.04 3.32 -1.69 0.08 116.42 119.21 2nya h ASP 292 Ca 0.22 0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.40 2nya h ASP 292 Cb -0.08 0.21 -0.05 0.00 0.22 0.00 0.00 39.33 39.63 2nya h ASP 292 CO -0.05 -0.19 -0.01 0.22 -1.72 0.00 0.00 179.24 177.48 2nya h TYR 293 N -0.19 -0.04 -0.63 4.55 3.20 -0.82 -0.11 116.97 122.92 2nya h TYR 293 Ca 0.08 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.08 2nya h TYR 293 Cb 0.31 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.56 2nya h TYR 293 CO -0.25 -0.07 0.21 -0.22 -1.64 0.00 0.00 178.16 176.20 2nya h LYS 294 N 0.07 0.36 -0.48 1.82 3.64 -0.72 0.52 116.57 121.79 2nya h LYS 294 Ca 0.15 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2nya h LYS 294 Cb 0.20 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2nya h LYS 294 CO -0.26 0.24 0.24 0.00 -2.27 0.00 0.00 179.45 177.41 2nya h ALA 295 N 1.46 0.62 -0.30 5.00 0.00 -0.51 -2.09 119.26 123.44 2nya h ALA 295 Ca 0.33 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.15 2nya h ALA 295 Cb 0.45 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2nya h ALA 295 CO -0.35 0.16 0.16 0.35 0.00 0.00 0.00 179.25 179.57 2nya h PHE 296 N 0.63 0.30 0.00 0.00 3.57 0.94 -2.39 116.94 120.00 2nya h PHE 296 Ca 0.17 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 2nya h PHE 296 Cb 0.09 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2nya h PHE 296 CO -0.01 0.17 -0.29 -0.39 -2.23 0.00 0.00 178.31 175.56 2nya h VAL 297 N 0.33 0.51 -0.70 1.41 -1.51 -1.20 -3.06 116.25 112.04 2nya h VAL 297 Ca 0.12 -1.70 0.20 0.00 -1.23 0.00 0.00 66.70 64.09 2nya h VAL 297 Cb 0.02 2.23 -0.03 0.00 -2.13 0.00 0.00 31.29 31.38 2nya h VAL 297 CO -0.07 0.29 0.50 0.00 -1.23 0.00 0.00 177.57 177.06 2nya h ALA 298 N 1.71 2.63 0.00 5.19 0.00 -0.83 0.44 119.26 128.39 2nya h ALA 298 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2nya h ALA 298 Cb 1.21 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2nya h ALA 298 CO 0.04 -0.83 -0.06 0.93 0.00 0.00 0.00 179.25 179.32 2nya h GLU 299 N 0.02 0.00 -4.72 0.00 4.39 -1.47 -3.37 114.58 109.44 2nya h GLU 299 Ca 0.33 0.00 -0.71 0.00 0.34 0.00 0.00 59.36 59.32 2nya h GLU 299 Cb 1.31 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 29.76 2nya h GLU 299 CO -0.01 0.06 0.62 0.71 -1.16 0.00 0.00 179.01 179.23 2nya s TYR 300 N -4.67 3.27 -0.06 4.33 2.02 0.15 -4.99 117.35 117.41 2nya s TYR 300 Ca -0.04 -1.52 -0.05 0.00 -0.37 0.00 0.00 57.07 55.09 2nya s TYR 300 Cb 0.15 -4.16 -0.04 0.00 -0.40 0.00 0.00 41.96 37.52 2nya s TYR 300 CO 0.62 -1.36 0.16 0.95 -1.57 0.00 0.00 175.55 174.35 2nya s THR 301 N 2.06 5.47 0.21 -0.71 -4.23 -1.26 -4.43 115.64 112.75 2nya s THR 301 Ca 0.28 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.72 2nya s THR 301 Cb -0.07 -3.48 0.33 0.00 1.34 0.00 0.00 72.50 70.62 2nya s THR 301 CO -0.09 0.45 1.19 -0.11 -0.54 0.00 0.00 174.62 175.53 2nya n LEU 302 N 1.40 -0.31 -0.17 4.79 7.94 -1.26 0.11 117.00 129.50 2nya n LEU 302 Ca -0.15 1.32 -0.07 0.00 -1.11 0.00 0.00 56.01 56.00 2nya n LEU 302 Cb 0.54 -0.38 0.09 0.00 0.53 0.00 0.00 43.42 44.19 2nya n LEU 302 CO 0.38 -1.25 0.85 1.05 -1.11 0.00 0.00 177.39 177.31 2nya h GLU 303 N 0.00 0.95 0.22 1.96 9.09 -1.98 0.06 114.58 124.88 2nya h GLU 303 Ca 0.35 -0.28 -0.33 0.00 0.05 0.00 0.00 59.36 59.15 2nya h GLU 303 Cb 0.54 -0.10 0.03 0.00 -1.65 0.00 0.00 28.75 27.57 2nya h GLU 303 CO -0.78 0.94 -1.50 -0.22 0.05 0.00 0.00 179.01 177.49 2nya h LYS 304 N 0.87 0.47 -0.01 1.06 3.64 -1.40 -2.45 116.57 118.76 2nya h LYS 304 Ca 0.16 -0.80 0.03 0.00 -1.27 0.00 0.00 60.65 58.77 2nya h LYS 304 Cb 0.51 0.30 -0.05 0.00 -0.41 0.00 0.00 32.23 32.59 2nya h LYS 304 CO 0.03 1.38 -0.25 1.15 -2.27 0.00 0.00 179.45 179.48 2nya h THR 305 N 0.13 0.42 -0.97 1.00 2.02 -0.24 0.23 112.91 115.49 2nya h THR 305 Ca -0.26 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.12 2nya h THR 305 Cb 2.13 0.42 -0.11 0.00 -1.74 0.00 0.00 68.15 68.85 2nya h THR 305 CO 0.25 0.00 0.57 0.00 0.37 0.00 0.00 175.52 176.70 2nya h ALA 306 N 0.46 1.62 -0.06 6.16 0.00 -1.06 0.19 119.26 126.56 2nya h ALA 306 Ca 0.07 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2nya h ALA 306 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2nya h ALA 306 CO -0.23 -0.11 -0.13 1.49 0.00 0.00 0.00 179.25 180.26 2nya h GLU 307 N 0.69 0.19 -0.49 0.00 4.81 -0.76 -1.95 114.58 117.07 2nya h GLU 307 Ca 0.57 -0.13 -0.12 0.00 -0.13 0.00 0.00 59.36 59.55 2nya h GLU 307 Cb 0.93 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 2nya h GLU 307 CO -0.41 0.73 -0.17 0.52 -0.73 0.00 0.00 179.01 178.95 2nya h MET 308 N -0.31 0.98 0.00 1.92 2.86 -0.17 -3.18 114.93 117.02 2nya h MET 308 Ca -0.00 -0.40 -0.20 0.00 -2.06 0.00 0.00 59.70 57.04 2nya h MET 308 Cb 0.73 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.32 2nya h MET 308 CO 0.03 1.07 -0.93 1.79 1.06 0.00 0.00 176.91 179.93 2nya h THR 309 N 0.84 1.66 -1.08 2.22 1.35 -0.74 -3.43 112.91 113.74 2nya h THR 309 Ca 0.12 -3.20 -0.17 0.00 -0.55 0.00 0.00 66.41 62.60 2nya h THR 309 Cb 0.74 2.73 -0.02 0.00 -1.73 0.00 0.00 68.15 69.87 2nya h THR 309 CO 0.06 0.91 -0.21 0.61 -0.25 0.00 0.00 175.52 176.64 2nya n GLY 310 N 1.17 0.22 3.38 5.82 0.00 -0.74 -1.88 105.19 113.16 2nya n GLY 310 Ca -0.00 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 2nya n GLY 310 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nya s VAL 311 N -2.41 2.61 0.89 1.61 -7.23 -1.20 -4.91 120.40 109.76 2nya s VAL 311 Ca 0.00 -0.88 -0.15 0.00 -1.81 0.00 0.00 61.98 59.14 2nya s VAL 311 Cb 0.00 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 2nya s VAL 311 CO 0.00 0.58 0.05 -2.65 -0.31 0.00 0.00 175.10 172.77 2nya n PRO 312 N 2.57 -0.07 -0.12 4.82 -0.02 -1.26 -4.54 135.00 136.39 2nya n PRO 312 Ca -0.17 0.01 -0.24 0.00 -2.02 0.00 0.00 63.50 61.08 2nya n PRO 312 Cb 0.52 -1.56 -0.10 0.00 -0.02 0.00 0.00 33.50 32.34 2nya n PRO 312 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2nya n LYS 313 N -0.11 0.57 0.00 -0.52 4.81 -1.26 -2.63 118.16 119.01 2nya n LYS 313 Ca 0.05 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 2nya n LYS 313 Cb 0.53 -1.64 0.00 0.00 0.02 0.00 0.00 35.03 33.95 2nya n LYS 313 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2nya n ASP 314 N -4.37 0.00 -0.30 3.14 4.64 -1.26 -2.26 116.55 116.14 2nya n ASP 314 Ca -0.39 0.00 -0.04 0.00 -1.38 0.00 0.00 54.79 52.98 2nya n ASP 314 Cb 0.73 0.00 0.08 0.00 -1.04 0.00 0.00 41.12 40.89 2nya n ASP 314 CO 0.00 0.00 0.00 1.56 -0.82 0.00 0.00 177.20 177.94 2nya h GLN 315 N 0.00 1.07 -0.94 -0.67 4.20 -1.90 -1.38 115.11 115.50 2nya h GLN 315 Ca 0.00 -0.06 0.22 0.00 0.06 0.00 0.00 58.65 58.86 2nya h GLN 315 Cb 0.00 -0.24 -0.12 0.00 0.30 0.00 0.00 27.48 27.42 2nya h GLN 315 CO 0.00 0.71 0.49 -0.07 -0.67 0.00 0.00 178.83 179.28 2nya h LEU 316 N 1.10 0.51 -0.12 1.46 3.38 -1.47 0.21 115.31 120.39 2nya h LEU 316 Ca 0.30 0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.32 2nya h LEU 316 Cb -0.13 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2nya h LEU 316 CO -0.06 0.09 -0.26 -0.33 0.09 0.00 0.00 178.44 177.96 2nya h GLU 317 N 0.52 0.38 -0.42 1.13 5.08 -0.81 -0.86 114.58 119.60 2nya h GLU 317 Ca 0.58 -0.25 0.07 0.00 -1.00 0.00 0.00 59.36 58.75 2nya h GLU 317 Cb 1.05 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.28 2nya h GLU 317 CO -0.48 0.86 0.06 1.96 -1.00 0.00 0.00 179.01 180.41 2nya h GLN 318 N -0.04 0.18 -0.13 2.33 4.20 -0.94 0.10 115.11 120.81 2nya h GLN 318 Ca 0.00 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.72 2nya h GLN 318 Cb 0.86 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 2nya h GLN 318 CO 0.06 0.12 0.01 1.25 -0.67 0.00 0.00 178.83 179.60 2nya h LEU 319 N 0.18 -0.02 -1.22 1.46 7.12 -0.90 -2.06 115.31 119.88 2nya h LEU 319 Ca 0.20 0.02 -0.06 0.00 0.13 0.00 0.00 57.88 58.17 2nya h LEU 319 Cb 0.27 0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.42 2nya h LEU 319 CO -0.29 0.01 -0.30 0.00 -0.13 0.00 0.00 178.44 177.73 2nya h ALA 320 N 1.10 1.12 -0.68 1.25 0.00 -0.82 -2.83 119.26 118.40 2nya h ALA 320 Ca 0.06 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2nya h ALA 320 Cb 0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 2nya h ALA 320 CO -0.09 0.38 0.16 0.37 0.00 0.00 0.00 179.25 180.08 2nya h GLN 321 N 0.00 1.08 -0.68 0.00 5.75 -0.09 -1.74 115.11 119.43 2nya h GLN 321 Ca -0.00 -0.25 0.13 0.00 -0.15 0.00 0.00 58.65 58.38 2nya h GLN 321 Cb 0.72 -0.15 -0.09 0.00 1.07 0.00 0.00 27.48 29.03 2nya h GLN 321 CO 0.04 0.95 0.21 -0.07 -2.65 0.00 0.00 178.83 177.31 2nya h LEU 322 N 1.03 0.12 -0.37 -2.39 3.38 -1.21 -1.29 115.31 114.58 2nya h LEU 322 Ca 0.21 0.11 -0.15 0.00 0.09 0.00 0.00 57.88 58.15 2nya h LEU 322 Cb 0.36 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2nya h LEU 322 CO 0.00 0.04 -0.34 1.88 0.09 0.00 0.00 178.44 180.11 2nya h TYR 323 N 0.34 1.05 -0.51 1.13 -1.99 -1.53 -3.30 116.97 112.17 2nya h TYR 323 Ca 0.37 -0.31 -0.10 0.00 2.00 0.00 0.00 58.73 60.69 2nya h TYR 323 Cb 0.56 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 39.05 2nya h TYR 323 CO -0.21 1.12 -0.07 0.00 -0.00 0.00 0.00 178.16 179.00 2nya h ALA 324 N 0.76 0.69 -1.99 3.88 0.00 -0.82 -3.44 119.26 118.35 2nya h ALA 324 Ca 0.06 -0.32 -0.57 0.00 0.00 0.00 0.00 54.91 54.07 2nya h ALA 324 Cb 0.93 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2nya h ALA 324 CO 0.09 0.57 1.31 0.34 0.00 0.00 0.00 179.25 181.56 2nya s ASP 325 N -6.51 5.90 0.00 0.00 3.68 -0.53 -4.88 116.67 114.33 2nya s ASP 325 Ca -0.12 1.70 0.09 0.00 2.13 0.00 0.00 52.55 56.35 2nya s ASP 325 Cb 0.12 -2.52 0.51 0.00 -1.45 0.00 0.00 42.92 39.57 2nya s ASP 325 CO 0.84 -1.64 1.08 -0.81 0.13 0.00 0.00 175.17 174.77 2nya n PRO 326 N 8.30 0.21 -0.08 4.34 -0.04 -1.26 -2.16 135.00 144.31 2nya n PRO 326 Ca 0.24 0.10 0.09 0.00 -0.04 0.00 0.00 63.50 63.88 2nya n PRO 326 Cb 0.45 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.54 2nya n PRO 326 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2nya n ASN 327 N -1.14 2.40 -4.27 3.54 3.02 -1.26 -4.90 115.26 112.65 2nya n ASN 327 Ca 0.06 -2.94 -0.36 0.00 -0.03 0.00 0.00 54.58 51.31 2nya n ASN 327 Cb 0.05 -0.38 -0.13 0.00 -0.61 0.00 0.00 39.78 38.71 2nya n ASN 327 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2nya s LYS 328 N -2.63 2.90 -0.11 3.52 1.02 -0.92 -5.04 119.74 118.48 2nya s LYS 328 Ca 0.29 -0.97 -0.29 0.00 0.02 0.00 0.00 55.97 55.02 2nya s LYS 328 Cb 0.25 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 34.30 2nya s LYS 328 CO 0.03 -0.46 1.47 0.15 -0.92 0.00 0.00 175.35 175.62 2nya s LYS 329 N 1.41 4.20 -0.10 1.68 1.02 -1.26 -4.92 119.74 121.76 2nya s LYS 329 Ca 0.01 1.94 0.01 0.00 0.02 0.00 0.00 55.97 57.95 2nya s LYS 329 Cb -0.17 -3.89 -0.02 0.00 -0.52 0.00 0.00 37.83 33.23 2nya s LYS 329 CO -0.00 -0.79 -0.15 0.08 -0.92 0.00 0.00 175.35 173.57 2nya s VAL 330 N 3.81 2.95 -0.19 3.17 1.01 -1.24 -0.79 120.40 129.13 2nya s VAL 330 Ca 0.65 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 2nya s VAL 330 Cb -0.28 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 2nya s VAL 330 CO 0.23 0.55 -0.03 -0.63 0.00 0.00 0.00 175.10 175.21 2nya s ILE 331 N 0.03 3.73 -0.17 2.22 1.01 -0.56 0.34 121.20 127.79 2nya s ILE 331 Ca -0.05 -0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 2nya s ILE 331 Cb -0.14 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 2nya s ILE 331 CO 0.04 0.45 0.06 -0.44 0.00 0.00 0.00 174.94 175.05 2nya s SER 332 N 0.90 5.61 -0.06 3.58 0.01 -0.86 -1.09 113.70 121.79 2nya s SER 332 Ca -0.00 0.10 0.06 0.00 1.31 0.00 0.00 55.95 57.42 2nya s SER 332 Cb -0.14 -1.93 -0.01 0.00 0.21 0.00 0.00 66.02 64.14 2nya s SER 332 CO 0.01 0.20 -0.25 -0.31 0.41 0.00 0.00 173.24 173.31 2nya s TYR 333 N 0.21 2.46 0.06 2.43 4.12 0.67 -0.35 117.35 126.94 2nya s TYR 333 Ca 0.04 -0.73 -0.08 0.00 0.02 0.00 0.00 57.07 56.32 2nya s TYR 333 Cb -0.12 -1.61 -0.00 0.00 -1.52 0.00 0.00 41.96 38.71 2nya s TYR 333 CO 0.00 -0.22 0.17 1.67 0.02 0.00 0.00 175.55 177.20 2nya s TRP 334 N -0.14 0.13 0.00 2.71 -2.14 -1.19 0.27 118.94 118.57 2nya s TRP 334 Ca -0.04 -0.46 0.00 0.00 2.66 0.00 0.00 56.10 58.26 2nya s TRP 334 Cb -0.14 -0.07 0.00 0.00 -3.10 0.00 0.00 33.47 30.16 2nya s TRP 334 CO 0.04 -0.47 0.00 2.41 -2.66 0.00 0.00 176.95 176.27 2nya n THR 335 N 0.36 0.00 0.10 0.66 -1.04 -1.26 -0.17 114.28 112.92 2nya n THR 335 Ca -0.17 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.88 2nya n THR 335 Cb 0.60 0.00 0.44 0.00 -1.82 0.00 0.00 70.33 69.55 2nya n THR 335 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 2nya h MET 336 N 0.00 0.30 -0.75 -2.82 2.86 -1.90 -2.74 114.93 109.88 2nya h MET 336 Ca 0.00 -0.04 0.17 0.00 -2.06 0.00 0.00 59.70 57.77 2nya h MET 336 Cb 0.00 -0.06 -0.12 0.00 0.06 0.00 0.00 31.60 31.48 2nya h MET 336 CO 0.00 0.32 0.09 0.78 1.06 0.00 0.00 176.91 179.15 2nya h GLY 337 N 0.56 0.95 1.83 8.32 0.00 -1.85 0.52 103.07 113.40 2nya h GLY 337 Ca 0.07 0.04 -0.23 0.00 0.00 0.00 0.00 47.33 47.22 2nya h GLY 337 CO 0.00 -0.27 -1.07 0.74 0.00 0.00 0.00 176.54 175.94 2nya h PHE 338 N 0.17 0.22 0.08 5.60 -1.00 -1.70 -3.41 116.94 116.90 2nya h PHE 338 Ca 0.42 -0.16 -0.29 0.00 2.81 0.00 0.00 57.97 60.76 2nya h PHE 338 Cb 0.76 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.29 2nya h PHE 338 CO -0.35 1.10 -1.53 -0.91 -1.61 0.00 0.00 178.31 175.01 2nya h ASN 339 N 0.04 0.26 -1.56 2.17 4.21 -0.35 -3.36 115.58 117.00 2nya h ASN 339 Ca -0.06 -0.77 -0.66 0.00 1.21 0.00 0.00 56.30 56.02 2nya h ASN 339 Cb 1.80 -0.08 -0.13 0.00 -1.12 0.00 0.00 38.32 38.79 2nya h ASN 339 CO 0.16 1.65 1.44 -1.10 -1.29 0.00 0.00 177.43 178.28 2nya s GLN 340 N -2.46 3.74 -0.29 0.81 -0.21 0.15 -4.60 119.66 116.79 2nya s GLN 340 Ca -0.24 -1.66 -0.18 0.00 0.02 0.00 0.00 55.36 53.30 2nya s GLN 340 Cb 0.05 -5.23 0.18 0.00 1.00 0.00 0.00 33.01 29.01 2nya s GLN 340 CO 0.71 -2.04 1.15 -1.58 -2.12 0.00 0.00 175.29 171.41 2nya s HIS 341 N 3.75 -0.29 -0.80 0.91 2.46 -1.26 -4.26 115.29 115.79 2nya s HIS 341 Ca 0.43 0.60 0.22 0.00 0.47 0.00 0.00 55.06 56.78 2nya s HIS 341 Cb -0.01 0.23 0.87 0.00 -0.13 0.00 0.00 32.58 33.54 2nya s HIS 341 CO -0.05 -0.14 1.67 0.25 -2.47 0.00 0.00 174.74 174.00 2nya n THR 342 N 3.11 0.70 -1.96 0.89 -2.24 -1.26 -0.77 114.28 112.75 2nya n THR 342 Ca -0.17 0.12 0.01 0.00 -2.27 0.00 0.00 64.05 61.74 2nya n THR 342 Cb 0.57 -0.90 0.13 0.00 -2.10 0.00 0.00 70.33 68.03 2nya n THR 342 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2nya n ARG 343 N -1.84 1.48 -0.27 -0.78 5.12 -1.26 -4.17 116.66 114.94 2nya n ARG 343 Ca 0.04 -3.11 0.01 0.00 -1.93 0.00 0.00 57.85 52.86 2nya n ARG 343 Cb 0.26 -1.31 0.08 0.00 -1.16 0.00 0.00 32.46 30.33 2nya n ARG 343 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2nya h GLY 344 N 1.26 0.44 1.79 -0.13 0.00 -1.09 0.43 103.07 105.76 2nya h GLY 344 Ca -0.02 0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.54 2nya h GLY 344 CO 0.14 -0.28 -0.25 -2.08 0.00 0.00 0.00 176.54 174.06 2nya h VAL 345 N -0.02 1.24 -0.07 4.60 2.07 -1.82 0.81 116.25 123.06 2nya h VAL 345 Ca 0.36 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 2nya h VAL 345 Cb 0.58 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2nya h VAL 345 CO -0.81 0.34 -0.05 -0.50 0.02 0.00 0.00 177.57 176.58 2nya h TRP 346 N 0.23 0.19 -0.34 1.57 4.06 -1.58 0.52 115.95 120.59 2nya h TRP 346 Ca 0.04 -0.05 0.08 0.00 2.06 0.00 0.00 58.89 61.01 2nya h TRP 346 Cb 0.58 -0.04 -0.08 0.00 -1.00 0.00 0.00 29.16 28.61 2nya h TRP 346 CO 0.01 0.56 -0.25 0.00 -3.56 0.00 0.00 178.44 175.19 2nya h ALA 347 N 0.60 -0.06 -0.19 1.49 0.00 -0.29 0.64 119.26 121.45 2nya h ALA 347 Ca 0.01 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2nya h ALA 347 Cb 0.51 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2nya h ALA 347 CO 0.01 -0.65 -0.01 -0.91 0.00 0.00 0.00 179.25 177.69 2nya h ASN 348 N -0.21 -0.11 -0.99 0.00 2.35 -0.76 -0.80 115.58 115.06 2nya h ASN 348 Ca 0.17 0.05 0.03 0.00 -0.55 0.00 0.00 56.30 56.00 2nya h ASN 348 Cb 0.48 0.09 -0.06 0.00 0.05 0.00 0.00 38.32 38.88 2nya h ASN 348 CO -0.46 -0.03 0.65 0.78 -1.65 0.00 0.00 177.43 176.72 2nya h ASN 349 N 0.04 1.09 -0.08 5.81 -0.26 0.12 -2.90 115.58 119.42 2nya h ASN 349 Ca 0.09 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.79 2nya h ASN 349 Cb 0.12 -0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.13 2nya h ASN 349 CO -0.17 0.75 -0.06 -0.07 -1.06 0.00 0.00 177.43 176.83 2nya h LEU 350 N 1.27 0.19 -2.00 1.61 3.38 0.13 -2.64 115.31 117.25 2nya h LEU 350 Ca 0.39 -0.46 0.15 0.00 0.09 0.00 0.00 57.88 58.05 2nya h LEU 350 Cb -0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2nya h LEU 350 CO -0.12 0.61 0.38 1.62 0.09 0.00 0.00 178.44 181.02 2nya h VAL 351 N -0.23 0.72 -0.24 1.22 3.04 -1.22 -0.95 116.25 118.60 2nya h VAL 351 Ca 0.01 0.00 -0.14 0.00 -1.01 0.00 0.00 66.70 65.57 2nya h VAL 351 Cb 0.55 0.74 -0.01 0.00 -2.01 0.00 0.00 31.29 30.55 2nya h VAL 351 CO 0.02 0.00 -0.43 1.88 -1.01 0.00 0.00 177.57 178.03 2nya h TYR 352 N 0.00 0.70 -0.41 3.17 0.05 -1.26 -3.23 116.97 115.99 2nya h TYR 352 Ca 0.25 -0.21 0.08 0.00 0.05 0.00 0.00 58.73 58.89 2nya h TYR 352 Cb 1.00 -0.15 -0.07 0.00 1.01 0.00 0.00 36.73 38.52 2nya h TYR 352 CO 0.00 0.92 -0.02 -0.91 -1.05 0.00 0.00 178.16 177.09 2nya h ASN 353 N 0.48 -0.22 -0.47 3.88 2.35 -0.89 0.28 115.58 121.00 2nya h ASN 353 Ca 0.04 0.10 0.08 0.00 -0.55 0.00 0.00 56.30 55.97 2nya h ASN 353 Cb 0.94 0.19 -0.07 0.00 0.05 0.00 0.00 38.32 39.44 2nya h ASN 353 CO 0.08 -0.07 0.07 -0.07 -1.65 0.00 0.00 177.43 175.79 2nya h LEU 354 N 0.08 -0.05 -1.17 1.61 3.38 -1.57 1.19 115.31 118.78 2nya h LEU 354 Ca 0.20 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 58.18 2nya h LEU 354 Cb 0.30 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2nya h LEU 354 CO -0.36 0.01 -0.40 0.45 0.09 0.00 0.00 178.44 178.22 2nya h HIS 355 N 0.20 0.02 0.00 1.13 3.86 -1.36 -2.91 115.15 116.09 2nya h HIS 355 Ca 0.23 -0.01 -0.23 0.00 -1.16 0.00 0.00 60.37 59.21 2nya h HIS 355 Cb 0.31 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.74 2nya h HIS 355 CO -0.24 0.42 -1.27 -0.07 0.86 0.00 0.00 177.93 177.63 2nya h LEU 356 N 0.02 0.00 -0.92 2.43 3.38 0.19 -1.30 115.31 119.11 2nya h LEU 356 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2nya h LEU 356 Cb 0.72 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 2nya h LEU 356 CO 0.05 0.92 0.41 -0.07 0.09 0.00 0.00 178.44 179.85 2nya h LEU 357 N 0.00 1.07 -0.63 1.67 3.38 0.13 -3.25 115.31 117.69 2nya h LEU 357 Ca -0.13 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2nya h LEU 357 Cb 1.82 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.30 2nya h LEU 357 CO 0.10 0.89 -0.55 0.35 0.09 0.00 0.00 178.44 179.32 2nya n THR 358 N -4.31 0.00 -1.37 0.22 -2.24 -1.10 -1.96 114.28 103.51 2nya n THR 358 Ca 0.08 -0.16 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 2nya n THR 358 Cb 0.13 0.98 -0.05 0.00 -2.10 0.00 0.00 70.33 69.28 2nya n THR 358 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nya n GLY 359 N 1.43 1.30 3.47 3.38 0.00 -0.54 -4.51 105.19 109.72 2nya n GLY 359 Ca 0.08 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2nya n GLY 359 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nya s LYS 360 N -2.98 3.51 -0.07 1.61 1.02 -0.92 -4.94 119.74 116.96 2nya s LYS 360 Ca 0.00 -1.50 -0.29 0.00 0.02 0.00 0.00 55.97 54.20 2nya s LYS 360 Cb 0.00 -4.86 0.10 0.00 -0.52 0.00 0.00 37.83 32.56 2nya s LYS 360 CO 0.00 -1.85 0.86 -1.50 -0.92 0.00 0.00 175.35 171.95 2nya s ILE 361 N 3.28 0.00 -1.21 2.17 2.07 -1.24 -4.06 121.20 122.21 2nya s ILE 361 Ca 0.33 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.55 2nya s ILE 361 Cb -0.06 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.54 2nya s ILE 361 CO -0.06 0.00 0.13 -1.20 -1.91 0.00 0.00 174.94 171.90 2nya n SER 362 N 0.46 -4.27 -4.15 4.50 7.64 -1.21 -4.89 113.62 111.70 2nya n SER 362 Ca -0.13 0.03 -0.21 0.00 1.01 0.00 0.00 58.87 59.58 2nya n SER 362 Cb 0.59 -3.58 -0.13 0.00 -1.01 0.00 0.00 64.21 60.07 2nya n SER 362 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2nya s GLN 363 N -5.25 0.99 -0.23 1.43 -1.52 -1.13 -4.66 119.66 109.29 2nya s GLN 363 Ca 0.09 -0.76 -0.38 0.00 -1.95 0.00 0.00 55.36 52.36 2nya s GLN 363 Cb -0.05 -1.01 -0.14 0.00 -0.22 0.00 0.00 33.01 31.59 2nya s GLN 363 CO 0.12 0.25 1.83 -2.30 -0.25 0.00 0.00 175.29 174.93 2nya n PRO 364 N 1.95 1.44 -0.16 2.91 -0.02 -1.26 -1.06 135.00 138.81 2nya n PRO 364 Ca -0.18 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2nya n PRO 364 Cb 0.55 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2nya n PRO 364 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nya n GLY 365 N 4.47 1.51 2.78 -1.23 0.00 -1.26 -4.90 105.19 106.57 2nya n GLY 365 Ca 0.27 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 2nya n GLY 365 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nya n GLY 367 N 4.95 2.21 3.74 0.00 0.00 0.15 -2.82 105.19 113.43 2nya n GLY 367 Ca -0.10 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.51 2nya n GLY 367 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2nya s PRO 368 N -2.00 4.50 -0.36 1.61 0.04 -1.26 -2.03 135.00 135.49 2nya s PRO 368 Ca 0.00 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.12 2nya s PRO 368 Cb 0.00 -3.37 0.11 0.00 0.04 0.00 0.00 34.50 31.28 2nya s PRO 368 CO 0.00 0.26 0.15 0.12 0.04 0.00 0.00 177.00 177.56 2nya s PHE 369 N 0.04 2.04 -0.15 0.56 5.36 0.53 -4.65 117.98 121.71 2nya s PHE 369 Ca 0.39 -2.15 -0.29 0.00 -0.96 0.00 0.00 56.93 53.92 2nya s PHE 369 Cb -0.20 -1.92 -0.05 0.00 -0.34 0.00 0.00 43.02 40.50 2nya s PHE 369 CO 0.23 -0.85 2.00 0.45 -1.46 0.00 0.00 175.22 175.59 2nya s SER 370 N 1.05 5.97 0.23 6.13 0.15 -1.26 -3.20 113.70 122.76 2nya s SER 370 Ca 0.13 2.04 -0.30 0.00 0.70 0.00 0.00 55.95 58.52 2nya s SER 370 Cb -0.20 -2.52 -0.09 0.00 -1.71 0.00 0.00 66.02 61.50 2nya s SER 370 CO -0.13 -1.53 0.93 -0.76 1.20 0.00 0.00 173.24 172.95 2nya s LEU 371 N 6.43 4.64 -0.11 3.45 1.43 0.75 -4.82 118.68 130.46 2nya s LEU 371 Ca 0.90 1.93 -0.13 0.00 -1.03 0.00 0.00 54.13 55.80 2nya s LEU 371 Cb -0.34 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.25 2nya s LEU 371 CO 0.36 0.16 0.29 -0.89 0.23 0.00 0.00 176.35 176.49 2nya s THR 372 N -1.14 5.28 -0.11 5.49 2.01 -1.26 -4.62 115.64 121.29 2nya s THR 372 Ca 0.41 0.55 -0.21 0.00 0.31 0.00 0.00 61.69 62.75 2nya s THR 372 Cb -0.26 -3.61 -0.18 0.00 0.01 0.00 0.00 72.50 68.47 2nya s THR 372 CO 0.32 0.48 0.66 1.23 -0.69 0.00 0.00 174.62 176.62 2nya h GLY 373 N 5.88 -0.05 -2.44 4.40 0.00 -1.97 -3.29 103.07 105.60 2nya h GLY 373 Ca -0.46 0.02 -0.47 0.00 0.00 0.00 0.00 47.33 46.41 2nya h GLY 373 CO 0.69 -0.02 0.39 1.20 0.00 0.00 0.00 176.54 178.81 2nya s GLN 374 N -2.47 4.03 0.46 4.80 -0.21 -1.26 0.59 119.66 125.61 2nya s GLN 374 Ca -0.14 1.42 0.12 0.00 0.02 0.00 0.00 55.36 56.79 2nya s GLN 374 Cb -0.01 -2.34 1.06 0.00 1.00 0.00 0.00 33.01 32.71 2nya s GLN 374 CO 0.50 -0.24 2.08 -1.00 -2.12 0.00 0.00 175.29 174.51 2nya h PRO 375 N 2.10 0.19 -0.34 2.91 0.13 -1.68 -3.16 132.00 132.14 2nya h PRO 375 Ca -0.49 -0.02 -0.24 0.00 -0.87 0.00 0.00 66.00 64.38 2nya h PRO 375 Cb 1.21 -0.04 -0.39 0.00 0.13 0.00 0.00 31.00 31.91 2nya h PRO 375 CO 0.61 0.17 -1.07 0.45 -0.23 0.00 0.00 178.00 177.93 2nya n SER 376 N -4.46 1.65 -0.01 1.44 2.88 0.21 -3.06 113.62 112.26 2nya n SER 376 Ca -0.01 -2.16 -0.12 0.00 -1.33 0.00 0.00 58.87 55.25 2nya n SER 376 Cb 0.12 -0.43 -0.07 0.00 -0.75 0.00 0.00 64.21 63.08 2nya n SER 376 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2nya h ALA 377 N 2.16 0.10 0.36 -1.46 0.00 -1.42 0.99 119.26 119.99 2nya h ALA 377 Ca -0.13 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2nya h ALA 377 Cb 1.43 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2nya h ALA 377 CO 0.19 -0.28 -0.34 0.00 0.00 0.00 0.00 179.25 178.83 2nya h GLY 379 N -0.69 0.05 0.00 0.00 0.00 -1.57 0.15 103.07 101.01 2nya h GLY 379 Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2nya h GLY 379 CO -0.03 0.07 0.00 2.41 0.00 0.00 0.00 176.54 178.99 2nya n THR 380 N -3.75 0.00 -0.04 4.70 -1.04 0.30 -4.02 114.28 110.44 2nya n THR 380 Ca -0.01 0.35 -0.08 0.00 -2.04 0.00 0.00 64.05 62.27 2nya n THR 380 Cb 0.67 -1.33 -0.02 0.00 -1.82 0.00 0.00 70.33 67.83 2nya n THR 380 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2nya h ALA 381 N -2.00 0.10 0.09 2.41 0.00 -0.98 -0.75 119.26 118.13 2nya h ALA 381 Ca 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2nya h ALA 381 Cb 0.00 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2nya h ALA 381 CO 0.00 -0.50 -0.51 0.00 0.00 0.00 0.00 179.25 178.24 2nya h ARG 382 N -0.04 0.19 0.11 0.00 3.08 0.06 -0.81 114.38 116.97 2nya h ARG 382 Ca 0.11 -0.32 -0.28 0.00 0.07 0.00 0.00 59.98 59.55 2nya h ARG 382 Cb 0.20 0.12 0.02 0.00 0.08 0.00 0.00 29.97 30.39 2nya h ARG 382 CO -0.24 1.15 -1.21 0.93 -1.07 0.00 0.00 179.97 179.54 2nya h GLU 383 N -0.61 0.50 -0.24 0.04 5.08 -0.64 -3.16 114.58 115.55 2nya h GLU 383 Ca -0.09 -0.69 -0.17 0.00 -1.00 0.00 0.00 59.36 57.41 2nya h GLU 383 Cb 1.40 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.88 2nya h GLU 383 CO 0.09 1.30 -0.54 0.28 -1.00 0.00 0.00 179.01 179.14 2nya h VAL 384 N 0.21 1.30 -1.03 3.13 2.07 -1.27 -2.35 116.25 118.32 2nya h VAL 384 Ca -0.16 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.60 2nya h VAL 384 Cb 1.89 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 2nya h VAL 384 CO 0.22 0.56 0.00 0.61 0.02 0.00 0.00 177.57 178.98 2nya n GLY 385 N 0.29 0.58 2.40 2.17 0.00 -0.82 -2.83 105.19 106.99 2nya n GLY 385 Ca -0.04 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 2nya n GLY 385 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2nya n THR 386 N -0.52 4.44 -4.21 2.61 -2.24 -0.37 -4.42 114.28 109.56 2nya n THR 386 Ca 0.00 -3.41 -0.17 0.00 -2.27 0.00 0.00 64.05 58.20 2nya n THR 386 Cb 0.23 -2.08 -0.11 0.00 -2.10 0.00 0.00 70.33 66.27 2nya n THR 386 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2nya s PHE 387 N -0.37 1.30 0.66 4.78 0.40 -1.20 -3.12 117.98 120.43 2nya s PHE 387 Ca 0.60 -0.56 0.32 0.00 -0.60 0.00 0.00 56.93 56.69 2nya s PHE 387 Cb 0.24 -0.69 1.76 0.00 0.51 0.00 0.00 43.02 44.84 2nya s PHE 387 CO -0.11 0.10 2.00 0.00 0.70 0.00 0.00 175.22 177.91 2nya h ALA 388 N 3.67 1.31 -0.30 5.36 0.00 -1.11 -1.43 119.26 126.76 2nya h ALA 388 Ca -0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2nya h ALA 388 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2nya h ALA 388 CO 0.49 -0.29 0.00 -2.39 0.00 0.00 0.00 179.25 177.06 2nya n HIS 389 N -2.96 0.42 -4.30 0.00 1.44 -1.26 -1.87 115.22 106.69 2nya n HIS 389 Ca -0.02 -0.51 -0.29 0.00 -2.01 0.00 0.00 57.72 54.90 2nya n HIS 389 Cb 0.34 -0.03 -0.11 0.00 0.12 0.00 0.00 29.99 30.30 2nya n HIS 389 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2nya s ARG 390 N -1.04 1.85 0.22 -1.40 1.81 -0.54 -1.31 118.95 118.54 2nya s ARG 390 Ca 0.21 -1.20 0.05 0.00 -1.72 0.00 0.00 55.73 53.06 2nya s ARG 390 Cb 0.11 -2.12 -0.05 0.00 -0.45 0.00 0.00 34.95 32.44 2nya s ARG 390 CO 0.14 0.47 -0.05 -0.51 -0.68 0.00 0.00 175.30 174.66 2nya s LEU 391 N -2.32 2.37 1.01 2.53 1.43 0.25 -4.53 118.68 119.42 2nya s LEU 391 Ca 0.20 -1.14 -0.16 0.00 -1.03 0.00 0.00 54.13 51.99 2nya s LEU 391 Cb -0.10 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.71 2nya s LEU 391 CO 0.11 -0.40 -0.09 -2.65 0.23 0.00 0.00 176.35 173.56 2nya n PRO 392 N -0.40 -0.59 -3.76 1.29 -0.02 -1.13 -2.69 135.00 127.70 2nya n PRO 392 Ca -0.07 -0.15 -0.24 0.00 -2.02 0.00 0.00 63.50 61.02 2nya n PRO 392 Cb 0.63 -1.59 0.04 0.00 -0.02 0.00 0.00 33.50 32.55 2nya n PRO 392 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nya n ALA 393 N -3.64 -1.73 -0.95 3.55 0.00 -0.88 -1.14 120.51 115.72 2nya n ALA 393 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2nya n ALA 393 Cb 0.58 -3.03 0.00 0.00 0.00 0.00 0.00 19.45 17.01 2nya n ALA 393 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2nya n ASP 394 N -2.98 -3.13 -4.81 0.00 8.00 -1.26 -4.97 116.55 107.40 2nya n ASP 394 Ca -0.17 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.00 2nya n ASP 394 Cb 0.62 -1.54 -0.02 0.00 -0.02 0.00 0.00 41.12 40.16 2nya n ASP 394 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2nya s MET 395 N -0.71 3.65 0.02 -1.24 -1.94 -0.29 -4.93 119.30 113.86 2nya s MET 395 Ca 0.00 1.19 0.08 0.00 -1.71 0.00 0.00 55.69 55.25 2nya s MET 395 Cb 0.00 -2.08 -0.02 0.00 2.01 0.00 0.00 34.83 34.73 2nya s MET 395 CO 0.00 -0.54 -0.24 0.14 -0.01 0.00 0.00 175.02 174.37 2nya s VAL 396 N -2.34 1.94 0.65 -6.03 -7.23 -1.26 -0.59 120.40 105.54 2nya s VAL 396 Ca 0.63 -1.19 0.38 0.00 -1.81 0.00 0.00 61.98 59.99 2nya s VAL 396 Cb -0.14 -1.64 0.40 0.00 0.56 0.00 0.00 36.38 35.55 2nya s VAL 396 CO 0.29 0.41 2.24 -0.37 -0.31 0.00 0.00 175.10 177.37 2nya h VAL 397 N 4.39 0.15 0.00 1.32 -1.51 -1.43 -1.67 116.25 117.49 2nya h VAL 397 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 2nya h VAL 397 Cb 1.14 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 2nya h VAL 397 CO 0.45 0.00 0.00 1.07 -1.23 0.00 0.00 177.57 177.86 2nya n THR 398 N -3.27 0.22 -3.77 7.19 5.66 -1.26 -4.58 114.28 114.47 2nya n THR 398 Ca -0.02 0.03 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 2nya n THR 398 Cb 0.16 -0.60 -0.12 0.00 -1.55 0.00 0.00 70.33 68.22 2nya n THR 398 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2nya s ASN 399 N -3.13 5.29 0.30 1.09 3.84 -0.63 -4.99 114.94 116.71 2nya s ASN 399 Ca 0.12 -0.15 0.05 0.00 0.21 0.00 0.00 52.86 53.09 2nya s ASN 399 Cb 0.17 -1.95 0.48 0.00 -0.55 0.00 0.00 41.25 39.40 2nya s ASN 399 CO 0.49 -0.01 1.74 -0.08 -2.79 0.00 0.00 177.10 176.44 2nya h GLU 400 N 8.09 0.34 -0.33 0.43 4.81 -1.86 -0.46 114.58 125.60 2nya h GLU 400 Ca -0.38 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 58.61 2nya h GLU 400 Cb 1.18 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 2nya h GLU 400 CO 0.58 0.62 -0.26 0.87 -0.73 0.00 0.00 179.01 180.09 2nya h LYS 401 N 0.30 0.67 0.27 1.92 1.57 -1.95 -1.57 116.57 117.77 2nya h LYS 401 Ca 0.04 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 2nya h LYS 401 Cb 0.70 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2nya h LYS 401 CO 0.05 0.86 -0.13 0.45 -0.57 0.00 0.00 179.45 180.11 2nya h HIS 402 N 0.58 -0.34 -0.97 -1.35 3.86 -1.70 -2.02 115.15 113.21 2nya h HIS 402 Ca 0.08 -0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.44 2nya h HIS 402 Cb 0.75 0.11 -0.09 0.00 1.06 0.00 0.00 27.41 29.24 2nya h HIS 402 CO 0.03 -0.11 0.61 0.00 0.86 0.00 0.00 177.93 179.33 2nya h ARG 403 N -0.52 0.76 0.25 2.45 3.08 -1.06 -1.79 114.38 117.55 2nya h ARG 403 Ca -0.04 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 2nya h ARG 403 Cb 0.39 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2nya h ARG 403 CO 0.06 0.50 -0.18 -0.44 -1.07 0.00 0.00 179.97 178.85 2nya h ASP 404 N 0.78 -0.45 0.10 7.04 3.45 -1.17 -0.27 116.42 125.90 2nya h ASP 404 Ca 0.51 0.03 0.02 0.00 0.43 0.00 0.00 57.03 58.03 2nya h ASP 404 Cb 0.76 0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 39.64 2nya h ASP 404 CO -0.28 -0.28 -0.25 0.40 -1.57 0.00 0.00 179.24 177.26 2nya h ILE 405 N -0.43 0.45 -0.45 0.35 2.04 -0.59 0.15 117.51 119.02 2nya h ILE 405 Ca -0.02 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 2nya h ILE 405 Cb 0.37 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2nya h ILE 405 CO 0.01 0.00 0.07 0.00 0.00 0.00 0.00 178.15 178.23 2nya h GLU 407 N 0.67 0.65 -0.08 0.00 5.08 -0.72 0.66 114.58 120.85 2nya h GLU 407 Ca 0.15 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2nya h GLU 407 Cb 0.31 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2nya h GLU 407 CO 0.00 0.90 0.04 0.87 -1.00 0.00 0.00 179.01 179.82 2nya h LYS 408 N 0.40 0.11 0.12 2.33 1.57 -0.09 -2.27 116.57 118.73 2nya h LYS 408 Ca 0.06 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2nya h LYS 408 Cb 0.72 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2nya h LYS 408 CO 0.05 0.18 -0.06 -0.22 -0.57 0.00 0.00 179.45 178.84 2nya h LYS 409 N 0.01 -0.15 0.00 3.15 3.11 -0.77 -3.03 116.57 118.89 2nya h LYS 409 Ca 0.03 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 2nya h LYS 409 Cb 0.11 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.37 2nya h LYS 409 CO -0.00 0.05 0.00 0.91 -2.81 0.00 0.00 179.45 177.60 2nya n TRP 410 N -5.08 0.00 -3.52 1.91 8.01 0.22 -4.88 117.44 114.10 2nya n TRP 410 Ca -0.08 0.00 -0.23 0.00 -1.31 0.00 0.00 57.50 55.88 2nya n TRP 410 Cb 0.15 -0.29 0.05 0.00 -2.01 0.00 0.00 31.31 29.21 2nya n TRP 410 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 2nya n ASN 411 N -1.29 -4.74 -4.40 -0.99 4.05 -0.89 -4.90 115.26 102.10 2nya n ASN 411 Ca 0.06 -0.85 -0.21 0.00 0.45 0.00 0.00 54.58 54.03 2nya n ASN 411 Cb 0.10 -4.24 -0.10 0.00 1.23 0.00 0.00 39.78 36.77 2nya n ASN 411 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 2nya s ILE 412 N -3.48 1.96 0.45 -1.44 -4.36 -0.99 -5.07 121.20 108.26 2nya s ILE 412 Ca 0.35 -2.26 -0.23 0.00 -0.26 0.00 0.00 60.65 58.25 2nya s ILE 412 Cb -0.09 -2.21 -0.10 0.00 1.25 0.00 0.00 42.46 41.31 2nya s ILE 412 CO 0.80 -0.48 0.87 -2.65 0.24 0.00 0.00 174.94 173.72 2nya n PRO 413 N -0.50 1.06 -1.75 0.37 -0.02 -1.26 -4.68 135.00 128.22 2nya n PRO 413 Ca -0.07 0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 61.38 2nya n PRO 413 Cb 0.61 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 32.15 2nya n PRO 413 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2nya s SER 414 N -0.87 6.49 0.00 2.55 0.15 -1.26 -2.03 113.70 118.73 2nya s SER 414 Ca 0.65 2.61 0.00 0.00 0.70 0.00 0.00 55.95 59.91 2nya s SER 414 Cb -0.55 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.22 2nya s SER 414 CO 0.56 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.59 2nya n GLY 415 N 4.39 0.65 0.21 9.45 0.00 -1.26 -5.00 105.19 113.62 2nya n GLY 415 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 2nya n GLY 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nya h THR 416 N 0.00 1.33 -2.93 2.61 1.03 -1.76 -3.44 112.91 109.75 2nya h THR 416 Ca 0.00 -1.84 -0.53 0.00 -0.01 0.00 0.00 66.41 64.04 2nya h THR 416 Cb 0.00 1.82 0.03 0.00 -1.07 0.00 0.00 68.15 68.93 2nya h THR 416 CO 0.00 0.57 0.80 -0.63 -0.01 0.00 0.00 175.52 176.25 2nya s ILE 417 N -3.95 2.94 0.61 0.00 1.01 -1.26 -4.78 121.20 115.77 2nya s ILE 417 Ca -0.07 0.68 -0.19 0.00 0.00 0.00 0.00 60.65 61.07 2nya s ILE 417 Cb 0.11 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 2nya s ILE 417 CO 0.84 0.06 1.27 -0.81 0.00 0.00 0.00 174.94 176.29 2nya n PRO 418 N 3.89 1.26 -0.01 2.79 -0.04 -1.26 -4.93 135.00 136.70 2nya n PRO 418 Ca 0.12 0.48 0.07 0.00 -0.04 0.00 0.00 63.50 64.13 2nya n PRO 418 Cb 0.40 -2.50 -0.14 0.00 -0.04 0.00 0.00 33.50 31.23 2nya n PRO 418 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2nya n ALA 419 N -1.62 2.48 -2.66 0.55 0.00 -1.26 -4.83 120.51 113.17 2nya n ALA 419 Ca 0.14 -0.62 -0.42 0.00 0.00 0.00 0.00 53.44 52.54 2nya n ALA 419 Cb 0.47 -0.72 -0.04 0.00 0.00 0.00 0.00 19.45 19.16 2nya n ALA 419 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2nya s LYS 420 N -3.27 4.24 -0.17 0.00 2.20 -1.26 -4.14 119.74 117.34 2nya s LYS 420 Ca -0.07 1.01 -0.42 0.00 -0.36 0.00 0.00 55.97 56.13 2nya s LYS 420 Cb 0.12 -3.61 -0.19 0.00 -1.51 0.00 0.00 37.83 32.63 2nya s LYS 420 CO 0.87 -0.44 1.33 -0.89 -0.36 0.00 0.00 175.35 175.86 2nya n ILE 421 N 5.03 0.03 -0.67 5.43 5.41 -1.26 -4.78 119.36 128.54 2nya n ILE 421 Ca 0.06 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 2nya n ILE 421 Cb 0.48 -0.37 0.00 0.00 -0.71 0.00 0.00 39.64 39.04 2nya n ILE 421 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2nya n GLY 422 N 2.64 -1.74 3.67 7.39 0.00 -0.78 -5.01 105.19 111.36 2nya n GLY 422 Ca 0.24 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 2nya n GLY 422 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nya s LEU 423 N 0.00 4.17 0.98 0.99 1.43 -1.26 -4.84 118.68 120.15 2nya s LEU 423 Ca 0.00 0.82 -0.12 0.00 -1.03 0.00 0.00 54.13 53.79 2nya s LEU 423 Cb 0.00 -2.84 0.18 0.00 0.03 0.00 0.00 46.19 43.56 2nya s LEU 423 CO 0.00 -0.22 1.09 -1.38 0.23 0.00 0.00 176.35 176.07 2nya s HIS 424 N 1.67 2.11 0.17 0.29 -3.43 -1.26 -4.54 115.29 110.31 2nya s HIS 424 Ca 0.28 1.06 -0.27 0.00 -0.80 0.00 0.00 55.06 55.33 2nya s HIS 424 Cb -0.16 -3.24 0.03 0.00 -1.43 0.00 0.00 32.58 27.78 2nya s HIS 424 CO 0.11 -2.83 1.55 0.00 -2.00 0.00 0.00 174.74 171.56 2nya h ALA 425 N -1.86 -0.35 -0.03 -1.38 0.00 -1.91 0.62 119.26 114.35 2nya h ALA 425 Ca -0.54 0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 2nya h ALA 425 Cb 1.32 1.14 -0.01 0.00 0.00 0.00 0.00 17.79 20.24 2nya h ALA 425 CO 0.57 -0.86 -0.70 0.28 0.00 0.00 0.00 179.25 178.53 2nya h VAL 426 N -0.12 1.45 -0.78 0.00 2.07 -1.94 -2.24 116.25 114.70 2nya h VAL 426 Ca 0.20 -2.27 -0.03 0.00 0.82 0.00 0.00 66.70 65.42 2nya h VAL 426 Cb 0.52 2.21 -0.04 0.00 -1.52 0.00 0.00 31.29 32.47 2nya h VAL 426 CO -0.83 0.66 0.37 0.00 0.02 0.00 0.00 177.57 177.79 2nya h ALA 427 N 1.17 1.20 -0.74 1.67 0.00 -1.59 -1.49 119.26 119.48 2nya h ALA 427 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2nya h ALA 427 Cb 1.25 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2nya h ALA 427 CO 0.10 0.61 0.47 1.96 0.00 0.00 0.00 179.25 182.39 2nya h GLN 428 N 1.10 0.99 -0.83 0.00 4.20 0.57 -0.36 115.11 120.78 2nya h GLN 428 Ca 0.27 -0.08 0.14 0.00 0.06 0.00 0.00 58.65 59.04 2nya h GLN 428 Cb 0.11 -0.21 -0.09 0.00 0.30 0.00 0.00 27.48 27.58 2nya h GLN 428 CO -0.03 0.68 0.42 -0.44 -0.67 0.00 0.00 178.83 178.79 2nya h ASP 429 N 1.00 0.52 0.10 1.46 3.32 -1.01 -1.68 116.42 120.14 2nya h ASP 429 Ca 0.27 0.09 -0.19 0.00 0.02 0.00 0.00 57.03 57.21 2nya h ASP 429 Cb -0.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 2nya h ASP 429 CO -0.05 0.23 -0.71 0.03 -1.72 0.00 0.00 179.24 177.02 2nya h ARG 430 N 0.63 0.54 -0.38 3.56 3.08 -0.32 -2.79 114.38 118.71 2nya h ARG 430 Ca 0.44 -0.42 -0.13 0.00 0.07 0.00 0.00 59.98 59.94 2nya h ARG 430 Cb 0.59 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 2nya h ARG 430 CO -0.34 1.05 -0.29 0.00 -1.07 0.00 0.00 179.97 179.31 2nya h ALA 431 N 0.84 0.78 -0.05 0.04 0.00 -0.84 -2.14 119.26 117.88 2nya h ALA 431 Ca -0.03 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2nya h ALA 431 Cb 1.29 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2nya h ALA 431 CO 0.13 0.65 0.03 -0.07 0.00 0.00 0.00 179.25 179.99 2nya h LEU 432 N 0.69 0.07 -0.92 0.00 -0.00 -1.34 0.31 115.31 114.11 2nya h LEU 432 Ca 0.08 -0.05 0.14 0.00 -0.00 0.00 0.00 57.88 58.04 2nya h LEU 432 Cb 0.83 -0.02 -0.09 0.00 -0.00 0.00 0.00 40.66 41.38 2nya h LEU 432 CO 0.07 0.10 0.53 0.50 -0.00 0.00 0.00 178.44 179.65 2nya h LYS 433 N 0.02 0.77 -0.00 1.13 1.63 -1.36 -2.26 116.57 116.51 2nya h LYS 433 Ca 0.02 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2nya h LYS 433 Cb 0.05 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.50 2nya h LYS 433 CO -0.00 0.51 -0.09 -0.25 -3.45 0.00 0.00 179.45 176.17 2nya n ASP 434 N -4.75 0.59 0.00 4.20 10.43 -0.82 -4.82 116.55 121.38 2nya n ASP 434 Ca 0.18 -0.78 0.00 0.00 2.57 0.00 0.00 54.79 56.76 2nya n ASP 434 Cb 0.40 -0.04 0.00 0.00 1.84 0.00 0.00 41.12 43.32 2nya n ASP 434 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2nya n GLY 435 N 1.23 0.44 0.17 0.44 0.00 -0.85 -4.89 105.19 101.74 2nya n GLY 435 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 2nya n GLY 435 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nya h LYS 436 N 1.10 0.32 -4.85 1.61 1.57 -0.65 -3.42 116.57 112.25 2nya h LYS 436 Ca 0.00 -0.23 -0.67 0.00 -1.87 0.00 0.00 60.65 57.88 2nya h LYS 436 Cb 0.22 0.04 -0.26 0.00 0.08 0.00 0.00 32.23 32.31 2nya h LYS 436 CO 0.00 0.85 -0.64 -1.17 -0.57 0.00 0.00 179.45 177.93 2nya s LEU 437 N -7.96 3.66 -0.01 2.94 0.20 -0.75 -4.43 118.68 112.33 2nya s LEU 437 Ca -0.05 -0.60 0.07 0.00 0.69 0.00 0.00 54.13 54.24 2nya s LEU 437 Cb 0.11 -1.86 -0.10 0.00 -0.43 0.00 0.00 46.19 43.90 2nya s LEU 437 CO 0.82 -0.15 0.18 0.59 -0.29 0.00 0.00 176.35 177.49 2nya n ASN 438 N 4.86 2.92 -3.99 3.68 5.03 0.31 -4.43 115.26 123.65 2nya n ASN 438 Ca -0.15 -0.10 -0.24 0.00 0.87 0.00 0.00 54.58 54.96 2nya n ASN 438 Cb 0.49 1.27 -0.17 0.00 -1.02 0.00 0.00 39.78 40.35 2nya n ASN 438 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2nya s VAL 439 N -2.36 1.02 -0.20 2.41 1.01 -0.90 -0.46 120.40 120.92 2nya s VAL 439 Ca -0.02 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 2nya s VAL 439 Cb 0.05 -0.96 0.10 0.00 0.00 0.00 0.00 36.38 35.56 2nya s VAL 439 CO 0.29 0.34 0.30 -0.47 0.00 0.00 0.00 175.10 175.56 2nya s TYR 440 N 0.86 -0.54 -0.29 5.22 6.04 -0.80 0.66 117.35 128.50 2nya s TYR 440 Ca -0.11 0.71 -0.01 0.00 0.04 0.00 0.00 57.07 57.69 2nya s TYR 440 Cb -0.15 -0.10 0.05 0.00 -1.04 0.00 0.00 41.96 40.71 2nya s TYR 440 CO 0.01 -0.58 -0.01 -0.46 -1.54 0.00 0.00 175.55 172.97 2nya s TRP 441 N 2.45 3.24 -0.11 4.97 -0.00 -0.13 -0.77 118.94 128.58 2nya s TRP 441 Ca 0.07 -1.86 -0.13 0.00 -0.00 0.00 0.00 56.10 54.18 2nya s TRP 441 Cb -0.14 -2.09 -0.05 0.00 -0.00 0.00 0.00 33.47 31.19 2nya s TRP 441 CO -0.13 -0.80 0.29 -0.08 -0.00 0.00 0.00 176.95 176.23 2nya s THR 442 N 1.25 5.28 -0.06 5.86 -1.32 0.23 -1.38 115.64 125.50 2nya s THR 442 Ca -0.05 0.54 -0.00 0.00 -1.21 0.00 0.00 61.69 60.97 2nya s THR 442 Cb -0.19 -3.60 0.03 0.00 -1.51 0.00 0.00 72.50 67.22 2nya s THR 442 CO -0.02 0.48 -0.02 -0.04 -2.21 0.00 0.00 174.62 172.82 2nya s MET 443 N -0.23 0.70 -1.15 7.08 -1.94 -0.69 -0.99 119.30 122.09 2nya s MET 443 Ca 0.18 0.02 -0.03 0.00 -1.71 0.00 0.00 55.69 54.15 2nya s MET 443 Cb -0.14 -0.92 0.00 0.00 2.01 0.00 0.00 34.83 35.79 2nya s MET 443 CO 0.06 -0.22 0.44 0.00 -0.01 0.00 0.00 175.02 175.29 2nya s THR 445 N -3.00 0.09 -0.52 0.00 -4.23 -1.26 -4.75 115.64 101.97 2nya s THR 445 Ca 0.22 -0.75 0.07 0.00 -1.18 0.00 0.00 61.69 60.05 2nya s THR 445 Cb -0.10 -0.89 0.30 0.00 1.34 0.00 0.00 72.50 73.15 2nya s THR 445 CO 0.27 -0.41 0.76 -3.20 -0.54 0.00 0.00 174.62 171.49 2nya n ASN 446 N 0.70 2.68 0.21 3.99 4.05 -1.26 -4.95 115.26 120.69 2nya n ASN 446 Ca -0.19 -3.28 0.15 0.00 0.45 0.00 0.00 54.58 51.71 2nya n ASN 446 Cb 0.59 -0.62 0.63 0.00 1.23 0.00 0.00 39.78 41.60 2nya n ASN 446 CO 0.00 0.00 0.00 -1.13 -3.05 0.00 0.00 177.26 173.08 2nya h ASN 447 N 3.56 0.00 1.07 1.20 -0.00 -1.97 -0.29 115.58 119.15 2nya h ASN 447 Ca 0.13 0.00 -0.10 0.00 -0.00 0.00 0.00 56.30 56.33 2nya h ASN 447 Cb 0.72 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.02 2nya h ASN 447 CO 0.69 0.00 -0.48 -0.03 -0.00 0.00 0.00 177.43 177.61 2nya h MET 448 N 0.00 0.00 0.06 6.67 4.05 -1.92 -0.01 114.93 123.78 2nya h MET 448 Ca 0.00 0.00 -0.36 0.00 -0.28 0.00 0.00 59.70 59.06 2nya h MET 448 Cb 0.40 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.15 2nya h MET 448 CO 0.00 0.48 -2.13 0.94 0.23 0.00 0.00 176.91 176.43 2nya n GLN 449 N -3.42 0.70 0.05 0.39 7.27 -0.80 -4.61 117.38 116.97 2nya n GLN 449 Ca 0.01 0.21 -0.00 0.00 0.07 0.00 0.00 57.00 57.28 2nya n GLN 449 Cb 0.63 -1.65 -0.07 0.00 2.41 0.00 0.00 30.24 31.56 2nya n GLN 449 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2nya h ALA 450 N 0.29 0.65 -2.32 1.69 0.00 -1.07 -3.41 119.26 115.10 2nya h ALA 450 Ca -0.46 -0.80 -0.46 0.00 0.00 0.00 0.00 54.91 53.20 2nya h ALA 450 Cb 2.02 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 20.00 2nya h ALA 450 CO 0.03 0.89 0.35 0.20 0.00 0.00 0.00 179.25 180.73 2nya s GLY 451 N -4.74 2.64 0.77 0.00 0.00 -0.02 -5.01 107.32 100.96 2nya s GLY 451 Ca -0.02 0.50 -0.12 0.00 0.00 0.00 0.00 44.72 45.08 2nya s GLY 451 CO 0.80 0.88 1.13 2.56 0.00 0.00 0.00 173.10 178.48 2nya s PRO 452 N -2.53 2.08 -1.38 2.90 0.04 -1.26 -4.14 135.00 130.72 2nya s PRO 452 Ca 0.56 1.43 -0.04 0.00 0.04 0.00 0.00 61.00 62.98 2nya s PRO 452 Cb -0.16 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.55 2nya s PRO 452 CO 0.20 -1.82 0.80 -1.71 0.04 0.00 0.00 177.00 174.52 2nya n ASN 453 N -3.26 -2.41 -0.34 6.66 5.15 -0.70 -4.83 115.26 115.54 2nya n ASN 453 Ca 0.11 -0.80 0.17 0.00 -0.60 0.00 0.00 54.58 53.46 2nya n ASN 453 Cb 0.52 -4.04 0.33 0.00 -0.53 0.00 0.00 39.78 36.06 2nya n ASN 453 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2nya h ILE 454 N -1.96 0.01 -0.27 -1.44 2.04 -0.44 -2.16 117.51 113.29 2nya h ILE 454 Ca -0.60 -0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.17 2nya h ILE 454 Cb 1.36 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2nya h ILE 454 CO 0.60 0.00 -0.20 0.78 0.00 0.00 0.00 178.15 179.33 2nya h ASN 455 N 0.01 0.49 0.21 1.72 2.35 -1.84 -2.27 115.58 116.25 2nya h ASN 455 Ca 0.63 -0.15 -0.35 0.00 -0.55 0.00 0.00 56.30 55.88 2nya h ASN 455 Cb 1.36 -0.13 0.02 0.00 0.05 0.00 0.00 38.32 39.62 2nya h ASN 455 CO -0.91 0.70 -1.70 -0.33 -1.65 0.00 0.00 177.43 173.54 2nya h GLU 456 N 0.45 0.43 0.00 0.81 5.08 -1.70 -3.40 114.58 116.24 2nya h GLU 456 Ca 0.07 -0.73 0.00 0.00 -1.00 0.00 0.00 59.36 57.70 2nya h GLU 456 Cb 0.60 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2nya h GLU 456 CO 0.04 1.35 0.00 0.39 -1.00 0.00 0.00 179.01 179.79 2nya n GLU 457 N -3.62 0.00 0.37 2.33 -0.58 -1.24 -4.78 120.64 113.12 2nya n GLU 457 Ca -0.23 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.32 2nya n GLU 457 Cb 1.08 -0.23 -0.10 0.00 -0.57 0.00 0.00 31.44 31.63 2nya n GLU 457 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2nya h ARG 458 N 0.00 -1.05 -0.15 3.49 2.43 -1.77 -1.76 114.38 115.56 2nya h ARG 458 Ca 0.00 0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 2nya h ARG 458 Cb 0.00 0.24 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 2nya h ARG 458 CO 0.00 -0.70 -0.23 1.98 -1.51 0.00 0.00 179.97 179.51 2nya h MET 459 N -1.09 -0.27 -0.11 0.20 4.05 -1.69 0.14 114.93 116.16 2nya h MET 459 Ca -0.08 0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.24 2nya h MET 459 Cb 0.90 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.75 2nya h MET 459 CO 0.04 -0.18 -0.42 -1.35 0.23 0.00 0.00 176.91 175.23 2nya h PRO 460 N -0.28 0.26 0.11 0.39 0.11 -1.78 -2.58 132.00 128.23 2nya h PRO 460 Ca 0.11 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 2nya h PRO 460 Cb 0.44 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 2nya h PRO 460 CO -0.31 0.63 -0.05 0.78 -0.21 0.00 0.00 178.00 178.83 2nya h GLY 461 N 1.22 -0.16 1.65 -0.55 0.00 -0.89 -1.58 103.07 102.75 2nya h GLY 461 Ca 0.02 0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.46 2nya h GLY 461 CO 0.07 -0.06 0.13 1.49 0.00 0.00 0.00 176.54 178.17 2nya h TRP 462 N -0.36 0.00 -0.08 5.60 4.06 -0.76 -1.97 115.95 122.44 2nya h TRP 462 Ca -0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.93 2nya h TRP 462 Cb 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.45 2nya h TRP 462 CO -0.00 0.00 0.00 0.54 -3.56 0.00 0.00 178.44 175.42 2nya n ARG 463 N -4.35 2.05 -2.62 0.49 5.12 -0.97 -4.78 116.66 111.60 2nya n ARG 463 Ca 0.01 -1.54 -0.42 0.00 -1.93 0.00 0.00 57.85 53.97 2nya n ARG 463 Cb 0.26 -1.47 -0.04 0.00 -1.16 0.00 0.00 32.46 30.06 2nya n ARG 463 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2nya s ASP 464 N -1.89 7.33 0.00 0.55 -1.08 -0.61 -4.92 116.67 116.05 2nya s ASP 464 Ca 0.33 1.84 0.10 0.00 -0.52 0.00 0.00 52.55 54.30 2nya s ASP 464 Cb 0.20 -2.58 0.56 0.00 -1.46 0.00 0.00 42.92 39.64 2nya s ASP 464 CO 0.31 -0.24 1.14 -0.81 0.52 0.00 0.00 175.17 176.09 2nya n PRO 465 N 3.34 0.22 0.00 4.34 -0.04 -1.26 -1.22 135.00 140.38 2nya n PRO 465 Ca 0.05 0.11 0.13 0.00 -0.04 0.00 0.00 63.50 63.75 2nya n PRO 465 Cb 0.49 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.85 2nya n PRO 465 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2nya n ARG 466 N -1.16 0.26 -5.08 0.54 1.74 -1.26 -4.92 116.66 106.78 2nya n ARG 466 Ca 0.06 -0.12 -0.30 0.00 -0.77 0.00 0.00 57.85 56.71 2nya n ARG 466 Cb 0.06 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 29.85 2nya n ARG 466 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2nya s ASN 467 N -2.82 3.11 -0.22 0.55 0.01 -0.36 -4.69 114.94 110.53 2nya s ASN 467 Ca 0.17 -0.54 -0.00 0.00 -0.71 0.00 0.00 52.86 51.78 2nya s ASN 467 Cb 0.19 -0.31 0.02 0.00 0.41 0.00 0.00 41.25 41.56 2nya s ASN 467 CO 0.60 0.29 -0.13 0.12 -1.51 0.00 0.00 177.10 176.47 2nya s PHE 468 N -0.72 2.95 -0.15 2.20 5.36 0.40 -4.79 117.98 123.23 2nya s PHE 468 Ca 0.11 -1.61 -0.04 0.00 -0.96 0.00 0.00 56.93 54.43 2nya s PHE 468 Cb -0.10 -1.99 -0.03 0.00 -0.34 0.00 0.00 43.02 40.56 2nya s PHE 468 CO 0.01 -0.76 -0.01 0.42 -1.46 0.00 0.00 175.22 173.42 2nya s ILE 469 N 1.30 4.14 -0.12 3.12 -1.09 -1.26 -1.90 121.20 125.40 2nya s ILE 469 Ca 0.02 -0.27 0.02 0.00 -2.23 0.00 0.00 60.65 58.19 2nya s ILE 469 Cb -0.15 -2.81 0.01 0.00 -1.58 0.00 0.00 42.46 37.93 2nya s ILE 469 CO -0.08 0.51 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.31 2nya s ILE 470 N 0.15 1.84 -0.03 2.92 1.01 0.05 -0.35 121.20 126.78 2nya s ILE 470 Ca 0.00 -0.85 0.06 0.00 0.00 0.00 0.00 60.65 59.86 2nya s ILE 470 Cb -0.13 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 2nya s ILE 470 CO 0.02 0.51 -0.21 0.68 0.00 0.00 0.00 174.94 175.94 2nya s VAL 471 N 0.81 1.72 -0.22 2.92 -7.23 0.11 0.76 120.40 119.27 2nya s VAL 471 Ca -0.09 -0.91 -0.06 0.00 -1.81 0.00 0.00 61.98 59.11 2nya s VAL 471 Cb -0.16 -1.45 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 2nya s VAL 471 CO -0.00 0.49 0.04 -0.44 -0.31 0.00 0.00 175.10 174.87 2nya s SER 472 N -0.28 5.06 -0.04 4.85 0.01 -0.16 -0.94 113.70 122.20 2nya s SER 472 Ca 0.02 -0.17 -0.29 0.00 1.31 0.00 0.00 55.95 56.83 2nya s SER 472 Cb -0.10 -1.88 0.06 0.00 0.21 0.00 0.00 66.02 64.31 2nya s SER 472 CO 0.01 0.04 0.63 -0.62 0.41 0.00 0.00 173.24 173.70 2nya s ASP 473 N 1.18 -0.59 0.44 2.44 -1.08 -0.97 -3.10 116.67 114.98 2nya s ASP 473 Ca 0.04 0.61 0.23 0.00 -0.52 0.00 0.00 52.55 52.91 2nya s ASP 473 Cb -0.14 0.51 0.90 0.00 -1.46 0.00 0.00 42.92 42.73 2nya s ASP 473 CO 0.02 -0.60 1.82 1.55 0.52 0.00 0.00 175.17 178.48 2nya h PRO 474 N 3.08 0.00 -5.85 4.34 0.13 -1.85 -2.73 132.00 129.11 2nya h PRO 474 Ca -0.28 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.34 2nya h PRO 474 Cb 1.15 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.12 2nya h PRO 474 CO 0.39 0.24 -0.76 0.71 -0.23 0.00 0.00 178.00 178.35 2nya s TYR 475 N -3.66 1.87 -1.33 1.56 1.51 -1.26 0.58 117.35 116.63 2nya s TYR 475 Ca 0.00 -0.48 -0.15 0.00 -1.01 0.00 0.00 57.07 55.43 2nya s TYR 475 Cb 0.10 -0.88 0.10 0.00 -0.11 0.00 0.00 41.96 41.17 2nya s TYR 475 CO 0.64 0.42 1.84 -0.35 -1.11 0.00 0.00 175.55 176.99 2nya n PRO 476 N -0.15 3.20 -1.04 -1.71 -0.04 -1.26 -4.86 135.00 129.14 2nya n PRO 476 Ca -0.10 -3.24 -0.30 0.00 -0.04 0.00 0.00 63.50 59.83 2nya n PRO 476 Cb 0.59 -3.27 0.23 0.00 -0.04 0.00 0.00 33.50 31.01 2nya n PRO 476 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2nya s THR 477 N 2.86 1.65 0.20 0.52 -4.23 -1.26 -4.76 115.64 110.62 2nya s THR 477 Ca 0.48 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.88 2nya s THR 477 Cb 0.06 -2.46 0.11 0.00 1.34 0.00 0.00 72.50 71.56 2nya s THR 477 CO 0.01 0.00 1.79 0.58 -0.54 0.00 0.00 174.62 176.46 2nya h VAL 478 N -2.53 0.95 -0.22 2.29 2.07 -1.97 -0.91 116.25 115.93 2nya h VAL 478 Ca -0.47 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 66.87 2nya h VAL 478 Cb 1.30 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2nya h VAL 478 CO 0.38 0.11 0.08 0.28 0.02 0.00 0.00 177.57 178.43 2nya h SER 479 N 0.58 0.09 -0.68 0.57 0.02 -1.92 -2.07 113.55 110.13 2nya h SER 479 Ca 0.27 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.25 2nya h SER 479 Cb 0.17 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 2nya h SER 479 CO -0.18 0.08 0.45 0.00 -1.14 0.00 0.00 176.83 176.04 2nya h ALA 480 N 1.14 0.87 -0.34 3.77 0.00 -1.87 -1.16 119.26 121.67 2nya h ALA 480 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2nya h ALA 480 Cb 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2nya h ALA 480 CO -0.10 0.27 0.18 -0.07 0.00 0.00 0.00 179.25 179.54 2nya h LEU 481 N 0.91 0.41 -0.16 0.00 3.38 -0.92 -1.22 115.31 117.70 2nya h LEU 481 Ca 0.25 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2nya h LEU 481 Cb -0.08 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.56 2nya h LEU 481 CO -0.06 0.33 -0.09 0.00 0.09 0.00 0.00 178.44 178.71 2nya n ALA 482 N -2.48 2.71 -1.12 1.53 0.00 -0.72 -4.91 120.51 115.51 2nya n ALA 482 Ca 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 53.44 53.21 2nya n ALA 482 Cb 0.10 -1.37 0.02 0.00 0.00 0.00 0.00 19.45 18.20 2nya n ALA 482 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nya n ALA 483 N -1.08 -0.14 -0.00 0.00 0.00 -0.46 -4.75 120.51 114.08 2nya n ALA 483 Ca 0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 53.44 53.41 2nya n ALA 483 Cb 0.27 -0.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.71 2nya n ALA 483 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2nya n ASP 484 N -3.08 4.95 -3.99 0.00 8.00 0.52 -4.93 116.55 118.02 2nya n ASP 484 Ca 0.02 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.26 2nya n ASP 484 Cb 0.05 0.51 -0.17 0.00 -0.02 0.00 0.00 41.12 41.50 2nya n ASP 484 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2nya s LEU 485 N -4.00 1.53 -0.14 0.64 2.96 -0.01 -2.87 118.68 116.78 2nya s LEU 485 Ca -0.00 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 2nya s LEU 485 Cb 0.00 -0.87 -0.03 0.00 0.50 0.00 0.00 46.19 45.79 2nya s LEU 485 CO 0.01 -0.01 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.38 2nya s ILE 486 N 1.00 4.12 -0.17 6.68 1.01 -0.79 -0.71 121.20 132.34 2nya s ILE 486 Ca -0.08 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2nya s ILE 486 Cb -0.15 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.53 2nya s ILE 486 CO -0.00 0.51 -0.16 -0.76 0.00 0.00 0.00 174.94 174.53 2nya s LEU 487 N 0.10 2.40 -0.03 2.97 1.43 -0.12 -1.93 118.68 123.51 2nya s LEU 487 Ca 0.01 -0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 2nya s LEU 487 Cb -0.13 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 2nya s LEU 487 CO 0.02 0.04 1.15 -2.16 0.23 0.00 0.00 176.35 175.64 2nya s PRO 488 N 1.06 4.40 -0.10 1.29 0.04 -1.26 -2.30 135.00 138.13 2nya s PRO 488 Ca -0.01 1.63 0.03 0.00 0.04 0.00 0.00 61.00 62.70 2nya s PRO 488 Cb -0.14 -3.49 -0.01 0.00 0.04 0.00 0.00 34.50 30.90 2nya s PRO 488 CO -0.05 -0.34 -0.22 0.99 0.04 0.00 0.00 177.00 177.43 2nya s THR 489 N 1.78 2.29 0.37 1.26 2.01 -1.03 -1.56 115.64 120.76 2nya s THR 489 Ca 0.55 -0.95 -0.28 0.00 0.31 0.00 0.00 61.69 61.33 2nya s THR 489 Cb -0.25 -1.89 -0.11 0.00 0.01 0.00 0.00 72.50 70.26 2nya s THR 489 CO 0.24 0.55 1.45 0.00 -0.69 0.00 0.00 174.62 176.17 2nya n ALA 490 N 3.42 2.16 -2.34 7.40 0.00 0.20 -4.04 120.51 127.31 2nya n ALA 490 Ca -0.19 0.35 -0.13 0.00 0.00 0.00 0.00 53.44 53.47 2nya n ALA 490 Cb 0.53 -2.39 -0.10 0.00 0.00 0.00 0.00 19.45 17.49 2nya n ALA 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nya s MET 491 N -2.05 0.85 0.00 0.00 0.23 -1.26 -4.49 119.30 112.58 2nya s MET 491 Ca 0.54 -1.25 0.00 0.00 -1.03 0.00 0.00 55.69 53.95 2nya s MET 491 Cb -0.49 -0.38 0.00 0.00 -1.53 0.00 0.00 34.83 32.42 2nya s MET 491 CO 0.63 0.03 0.00 1.87 -2.03 0.00 0.00 175.02 175.53 2nya n TRP 492 N 0.25 0.00 1.40 3.16 -0.00 -1.26 -0.80 117.44 120.19 2nya n TRP 492 Ca -0.14 0.00 0.14 0.00 -0.00 0.00 0.00 57.50 57.50 2nya n TRP 492 Cb 0.59 0.00 0.46 0.00 -0.00 0.00 0.00 31.31 32.36 2nya n TRP 492 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 177.69 179.24 2nya n VAL 493 N 0.00 0.00 0.77 5.87 3.14 -1.26 -2.66 118.33 124.19 2nya n VAL 493 Ca 0.00 -0.23 0.04 0.00 -2.96 0.00 0.00 64.34 61.19 2nya n VAL 493 Cb 0.00 0.53 0.25 0.00 -1.06 0.00 0.00 33.84 33.56 2nya n VAL 493 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2nya n GLU 494 N 0.02 0.39 -3.49 1.45 1.02 0.02 -1.43 120.64 118.61 2nya n GLU 494 Ca 0.17 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.20 2nya n GLU 494 Cb 0.37 -1.34 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 2nya n GLU 494 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2nya s LYS 495 N -2.00 1.32 0.11 3.49 -2.85 -1.09 -4.56 119.74 114.16 2nya s LYS 495 Ca 0.12 -0.56 -0.30 0.00 -1.00 0.00 0.00 55.97 54.23 2nya s LYS 495 Cb 0.06 0.58 -0.07 0.00 -2.06 0.00 0.00 37.83 36.34 2nya s LYS 495 CO 0.10 -0.58 1.20 -2.00 0.10 0.00 0.00 175.35 174.17 2nya s GLU 496 N -3.78 4.46 0.25 1.78 2.12 -1.26 -4.06 118.70 118.21 2nya s GLU 496 Ca 0.02 1.80 0.01 0.00 0.36 0.00 0.00 54.97 57.17 2nya s GLU 496 Cb -0.01 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 2nya s GLU 496 CO -0.11 -0.19 0.16 0.20 -0.54 0.00 0.00 175.26 174.78 2nya s GLY 497 N 0.72 1.74 -0.28 -1.50 0.00 -0.36 -4.94 107.32 102.68 2nya s GLY 497 Ca 0.57 -1.80 -0.18 0.00 0.00 0.00 0.00 44.72 43.31 2nya s GLY 497 CO 0.32 -1.47 0.83 0.00 0.00 0.00 0.00 173.10 172.78 2nya s ALA 498 N -3.89 -2.02 0.04 3.20 0.00 -1.26 -2.17 121.76 115.66 2nya s ALA 498 Ca 0.39 2.24 0.04 0.00 0.00 0.00 0.00 51.96 54.62 2nya s ALA 498 Cb 0.06 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 2nya s ALA 498 CO 0.16 -0.35 -0.12 0.71 0.00 0.00 0.00 175.76 176.16 2nya s TYR 499 N 1.21 1.04 -0.14 0.00 2.02 -0.55 -2.44 117.35 118.49 2nya s TYR 499 Ca -0.07 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.29 2nya s TYR 499 Cb -0.05 -0.62 0.01 0.00 -0.40 0.00 0.00 41.96 40.91 2nya s TYR 499 CO -0.14 0.01 -0.19 0.20 -1.57 0.00 0.00 175.55 173.86 2nya s GLY 500 N -1.14 1.27 0.31 0.71 0.00 -1.17 -0.32 107.32 106.99 2nya s GLY 500 Ca -0.01 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 43.69 2nya s GLY 500 CO 0.01 0.14 0.43 1.16 0.00 0.00 0.00 173.10 174.84 2nya n ASN 501 N 4.27 0.48 0.25 1.64 2.04 -0.23 -2.84 115.26 120.88 2nya n ASN 501 Ca -0.20 -1.43 0.11 0.00 -0.44 0.00 0.00 54.58 52.63 2nya n ASN 501 Cb 0.51 -0.29 0.64 0.00 -2.53 0.00 0.00 39.78 38.11 2nya n ASN 501 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2nya h ALA 502 N -0.71 1.23 -0.81 -2.53 0.00 -1.73 -2.69 119.26 112.03 2nya h ALA 502 Ca -0.14 -0.15 -0.42 0.00 0.00 0.00 0.00 54.91 54.20 2nya h ALA 502 Cb 0.50 -0.03 -0.25 0.00 0.00 0.00 0.00 17.79 18.01 2nya h ALA 502 CO 0.14 0.20 0.44 -0.85 0.00 0.00 0.00 179.25 179.19 2nya n GLU 503 N -3.62 2.14 -1.05 0.00 0.28 -1.26 -4.59 120.64 112.54 2nya n GLU 503 Ca -0.01 -3.07 -0.02 0.00 -0.16 0.00 0.00 57.16 53.90 2nya n GLU 503 Cb 0.29 -2.08 -0.01 0.00 1.43 0.00 0.00 31.44 31.08 2nya n GLU 503 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2nya n ARG 504 N -1.14 -0.34 -3.21 3.44 1.74 -1.01 -4.82 116.66 111.32 2nya n ARG 504 Ca 0.52 0.31 -0.42 0.00 -0.77 0.00 0.00 57.85 57.49 2nya n ARG 504 Cb 1.49 -3.75 -0.08 0.00 -1.02 0.00 0.00 32.46 29.11 2nya n ARG 504 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2nya s ARG 505 N -1.15 3.52 -0.02 5.56 3.52 -1.26 -2.27 118.95 126.84 2nya s ARG 505 Ca 0.00 -0.23 -0.24 0.00 -0.13 0.00 0.00 55.73 55.13 2nya s ARG 505 Cb 0.00 -3.85 -0.04 0.00 -1.56 0.00 0.00 34.95 29.50 2nya s ARG 505 CO 0.00 -0.73 0.75 0.99 -0.81 0.00 0.00 175.30 175.50 2nya s THR 506 N 2.47 4.93 -0.12 4.11 2.01 -0.30 -1.06 115.64 127.68 2nya s THR 506 Ca 0.19 1.56 -0.01 0.00 0.31 0.00 0.00 61.69 63.74 2nya s THR 506 Cb -0.15 -4.09 0.03 0.00 0.01 0.00 0.00 72.50 68.30 2nya s THR 506 CO 0.14 0.28 -0.05 -1.10 -0.69 0.00 0.00 174.62 173.21 2nya s GLN 507 N 0.53 1.24 0.54 4.92 -0.21 0.57 -2.48 119.66 124.77 2nya s GLN 507 Ca 0.39 -0.23 -0.07 0.00 0.02 0.00 0.00 55.36 55.47 2nya s GLN 507 Cb -0.19 -1.55 -0.03 0.00 1.00 0.00 0.00 33.01 32.24 2nya s GLN 507 CO 0.21 -0.33 0.88 -0.06 -2.12 0.00 0.00 175.29 173.86 2nya s PHE 508 N 1.77 3.55 -0.05 0.91 0.40 -1.26 -1.48 117.98 121.82 2nya s PHE 508 Ca 0.04 0.95 -0.05 0.00 -0.60 0.00 0.00 56.93 57.27 2nya s PHE 508 Cb -0.13 -2.48 0.01 0.00 0.51 0.00 0.00 43.02 40.92 2nya s PHE 508 CO -0.07 -0.47 0.14 1.67 0.70 0.00 0.00 175.22 177.18 2nya s TRP 509 N -2.91 -0.12 0.57 0.36 -2.14 -0.92 -4.42 118.94 109.35 2nya s TRP 509 Ca 0.50 0.30 -0.10 0.00 2.66 0.00 0.00 56.10 59.46 2nya s TRP 509 Cb -0.11 0.04 -0.04 0.00 -3.10 0.00 0.00 33.47 30.26 2nya s TRP 509 CO 0.48 -0.11 0.96 1.03 -2.66 0.00 0.00 176.95 176.65 2nya s ARG 510 N -0.14 3.64 0.18 3.25 0.52 -1.26 -1.23 118.95 123.90 2nya s ARG 510 Ca -0.02 0.64 -0.30 0.00 -0.52 0.00 0.00 55.73 55.52 2nya s ARG 510 Cb -0.02 -2.17 -0.09 0.00 0.52 0.00 0.00 34.95 33.20 2nya s ARG 510 CO 0.00 -0.43 1.33 -1.14 0.02 0.00 0.00 175.30 175.09 2nya s GLN 511 N -4.89 4.37 -0.06 3.54 0.74 -1.26 -4.68 119.66 117.42 2nya s GLN 511 Ca 0.54 2.07 0.04 0.00 0.05 0.00 0.00 55.36 58.05 2nya s GLN 511 Cb -0.11 -3.20 -0.07 0.00 1.10 0.00 0.00 33.01 30.73 2nya s GLN 511 CO 0.48 -0.30 0.00 1.04 -0.55 0.00 0.00 175.29 175.96 2nya n GLN 512 N 2.94 2.43 -3.50 1.67 1.13 -0.51 -4.25 117.38 117.29 2nya n GLN 512 Ca 0.07 0.01 -0.15 0.00 -1.94 0.00 0.00 57.00 54.99 2nya n GLN 512 Cb 0.43 -1.15 -0.05 0.00 0.11 0.00 0.00 30.24 29.58 2nya n GLN 512 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2nya n VAL 513 N -2.32 0.00 -4.34 5.09 0.24 -1.17 -4.90 118.33 110.93 2nya n VAL 513 Ca -0.10 -1.54 -0.23 0.00 -2.04 0.00 0.00 64.34 60.43 2nya n VAL 513 Cb 0.67 0.64 -0.13 0.00 -1.47 0.00 0.00 33.84 33.56 2nya n VAL 513 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2nya s GLN 514 N -2.95 1.12 0.52 7.34 -0.21 -1.26 -4.39 119.66 119.83 2nya s GLN 514 Ca 0.18 -1.06 -0.20 0.00 0.02 0.00 0.00 55.36 54.30 2nya s GLN 514 Cb 0.01 -1.30 -0.07 0.00 1.00 0.00 0.00 33.01 32.65 2nya s GLN 514 CO 0.13 0.31 1.10 0.00 -2.12 0.00 0.00 175.29 174.71 2nya s ALA 515 N -1.09 2.77 0.77 6.09 0.00 -1.26 -4.99 121.76 124.06 2nya s ALA 515 Ca 0.05 0.76 -0.15 0.00 0.00 0.00 0.00 51.96 52.62 2nya s ALA 515 Cb -0.10 -3.32 0.05 0.00 0.00 0.00 0.00 23.12 19.75 2nya s ALA 515 CO 0.03 -0.60 1.14 -0.35 0.00 0.00 0.00 175.76 175.98 2nya n PRO 516 N -1.14 0.38 0.00 0.00 -0.04 -1.26 -4.76 135.00 128.18 2nya n PRO 516 Ca 0.11 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.76 2nya n PRO 516 Cb 0.51 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 2nya n PRO 516 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nya n GLY 517 N 0.76 2.13 1.47 0.55 0.00 -1.26 -0.94 105.19 107.90 2nya n GLY 517 Ca 0.14 -0.27 0.04 0.00 0.00 0.00 0.00 46.02 45.92 2nya n GLY 517 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nya n GLU 518 N 14.00 3.58 -1.66 1.61 1.02 -0.42 -4.97 120.64 133.80 2nya n GLU 518 Ca 0.00 -2.14 -0.44 0.00 -0.02 0.00 0.00 57.16 54.56 2nya n GLU 518 Cb 0.00 -2.02 -0.02 0.00 -0.02 0.00 0.00 31.44 29.39 2nya n GLU 518 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2nya n ALA 519 N 0.38 0.87 -2.48 0.62 0.00 -0.11 -4.88 120.51 114.90 2nya n ALA 519 Ca 0.20 0.39 -0.15 0.00 0.00 0.00 0.00 53.44 53.88 2nya n ALA 519 Cb 0.92 -2.21 -0.11 0.00 0.00 0.00 0.00 19.45 18.05 2nya n ALA 519 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2nya s LYS 520 N -1.30 0.89 0.47 0.00 -0.14 -0.60 -4.50 119.74 114.57 2nya s LYS 520 Ca 0.61 -1.18 -0.16 0.00 -1.36 0.00 0.00 55.97 53.87 2nya s LYS 520 Cb -0.63 -0.61 -0.08 0.00 -1.68 0.00 0.00 37.83 34.83 2nya s LYS 520 CO 0.57 0.10 0.93 -1.54 -0.76 0.00 0.00 175.35 174.65 2nya s SER 521 N -2.46 6.67 0.29 2.83 1.04 -1.26 0.58 113.70 121.39 2nya s SER 521 Ca 0.06 1.50 0.04 0.00 0.48 0.00 0.00 55.95 58.03 2nya s SER 521 Cb -0.03 -2.48 0.69 0.00 0.10 0.00 0.00 66.02 64.31 2nya s SER 521 CO 0.01 -0.50 1.74 0.44 0.98 0.00 0.00 173.24 175.91 2nya h ASP 522 N 1.22 0.53 -0.46 7.02 3.32 -1.96 0.16 116.42 126.24 2nya h ASP 522 Ca -0.47 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.70 2nya h ASP 522 Cb 1.18 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 2nya h ASP 522 CO 0.62 0.13 0.29 0.25 -1.72 0.00 0.00 179.24 178.81 2nya h LEU 523 N 0.56 0.55 0.17 1.55 5.85 -1.92 -0.97 115.31 121.10 2nya h LEU 523 Ca 0.55 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.21 2nya h LEU 523 Cb 0.93 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.82 2nya h LEU 523 CO -0.44 0.43 -0.08 -0.25 -0.34 0.00 0.00 178.44 177.75 2nya h TRP 524 N 0.62 -0.22 -0.62 1.25 7.01 -1.24 -0.13 115.95 122.62 2nya h TRP 524 Ca 0.17 -0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.28 2nya h TRP 524 Cb -0.02 0.07 -0.12 0.00 -2.10 0.00 0.00 29.16 26.99 2nya h TRP 524 CO -0.03 -0.09 -0.26 1.96 -2.79 0.00 0.00 178.44 177.23 2nya h GLN 525 N -0.29 -0.09 -0.30 2.65 4.20 -0.64 0.25 115.11 120.90 2nya h GLN 525 Ca -0.02 0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.55 2nya h GLN 525 Cb 0.22 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 2nya h GLN 525 CO 0.04 -0.06 -0.36 -0.07 -0.67 0.00 0.00 178.83 177.71 2nya h LEU 526 N -0.09 0.83 -0.07 1.46 3.38 -0.94 -1.50 115.31 118.38 2nya h LEU 526 Ca 0.27 -0.49 -0.19 0.00 0.09 0.00 0.00 57.88 57.56 2nya h LEU 526 Cb 0.53 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.05 2nya h LEU 526 CO -0.68 1.16 -0.70 0.58 0.09 0.00 0.00 178.44 178.88 2nya h VAL 527 N 0.53 1.34 -0.73 1.22 2.07 -0.81 -2.80 116.25 117.07 2nya h VAL 527 Ca 0.04 -2.01 0.02 0.00 0.82 0.00 0.00 66.70 65.57 2nya h VAL 527 Cb 0.94 2.28 -0.04 0.00 -1.52 0.00 0.00 31.29 32.96 2nya h VAL 527 CO 0.09 0.61 0.48 1.56 0.02 0.00 0.00 177.57 180.32 2nya h GLN 528 N 0.22 0.93 -0.16 1.57 1.08 -0.53 -2.39 115.11 115.83 2nya h GLN 528 Ca -0.07 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.05 2nya h GLN 528 Cb 1.36 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.57 2nya h GLN 528 CO 0.14 0.62 0.01 0.35 -0.95 0.00 0.00 178.83 179.00 2nya h PHE 529 N 0.96 0.22 -0.08 2.96 3.57 -1.23 -2.23 116.94 121.11 2nya h PHE 529 Ca 0.28 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.79 2nya h PHE 529 Cb -0.07 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.60 2nya h PHE 529 CO -0.03 0.23 0.07 0.66 -2.23 0.00 0.00 178.31 177.02 2nya h SER 530 N 0.23 0.00 0.56 0.41 4.64 -1.15 -1.24 113.55 117.00 2nya h SER 530 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2nya h SER 530 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2nya h SER 530 CO 0.00 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.85 2nya n ARG 531 N -4.18 0.19 0.00 4.77 1.85 -0.84 -2.52 116.66 115.93 2nya n ARG 531 Ca -0.01 0.09 0.13 0.00 -1.00 0.00 0.00 57.85 57.06 2nya n ARG 531 Cb 0.18 -1.50 0.77 0.00 -1.05 0.00 0.00 32.46 30.85 2nya n ARG 531 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2nya n ARG 532 N -1.37 0.99 -4.04 2.89 5.12 -0.47 -4.78 116.66 115.00 2nya n ARG 532 Ca 0.09 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.74 2nya n ARG 532 Cb 0.21 -1.41 -0.17 0.00 -1.16 0.00 0.00 32.46 29.94 2nya n ARG 532 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2nya s PHE 533 N -2.00 1.56 0.48 -1.55 0.40 -1.10 -5.06 117.98 110.71 2nya s PHE 533 Ca 0.39 -0.76 -0.19 0.00 -0.60 0.00 0.00 56.93 55.77 2nya s PHE 533 Cb 0.18 -1.25 -0.09 0.00 0.51 0.00 0.00 43.02 42.37 2nya s PHE 533 CO 0.30 -0.49 0.99 0.15 0.70 0.00 0.00 175.22 176.87 2nya s LYS 534 N 1.50 3.98 0.20 0.44 -0.14 -1.26 -0.35 119.74 124.10 2nya s LYS 534 Ca 0.01 1.13 -0.10 0.00 -1.36 0.00 0.00 55.97 55.66 2nya s LYS 534 Cb -0.13 -2.14 0.13 0.00 -1.68 0.00 0.00 37.83 34.01 2nya s LYS 534 CO -0.06 -0.25 1.78 1.79 -0.76 0.00 0.00 175.35 177.85 2nya h THR 535 N 1.42 1.24 -0.31 2.17 1.35 -0.69 -1.28 112.91 116.81 2nya h THR 535 Ca -0.48 -0.67 0.09 0.00 -0.55 0.00 0.00 66.41 64.79 2nya h THR 535 Cb 1.19 0.36 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 2nya h THR 535 CO 0.60 0.28 0.51 -0.33 -0.25 0.00 0.00 175.52 176.33 2nya h GLU 536 N 1.00 0.00 0.00 4.72 3.07 -1.84 0.23 114.58 121.75 2nya h GLU 536 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 2nya h GLU 536 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 2nya h GLU 536 CO -0.03 0.00 -0.63 0.39 -1.40 0.00 0.00 179.01 177.34 2nya n GLU 537 N -3.34 0.24 0.00 2.33 1.02 -0.49 -4.52 120.64 115.89 2nya n GLU 537 Ca 0.05 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 2nya n GLU 537 Cb 0.64 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 2nya n GLU 537 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2nya n VAL 538 N -1.99 0.00 -4.01 2.62 0.24 -0.60 -5.00 118.33 109.59 2nya n VAL 538 Ca 0.04 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.99 2nya n VAL 538 Cb 0.42 -0.76 -0.09 0.00 -1.47 0.00 0.00 33.84 31.94 2nya n VAL 538 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2nya s TRP 539 N -1.81 3.30 0.35 6.34 0.51 -0.03 -4.80 118.94 122.81 2nya s TRP 539 Ca 0.00 0.17 -0.28 0.00 -2.12 0.00 0.00 56.10 53.87 2nya s TRP 539 Cb 0.00 -2.03 -0.12 0.00 -0.81 0.00 0.00 33.47 30.51 2nya s TRP 539 CO 0.00 0.29 1.38 -2.30 -0.51 0.00 0.00 176.95 175.80 2nya n PRO 540 N 3.13 2.35 -0.26 4.98 -0.02 -1.26 -4.63 135.00 139.29 2nya n PRO 540 Ca -0.17 0.82 0.17 0.00 -2.02 0.00 0.00 63.50 62.30 2nya n PRO 540 Cb 0.53 -2.47 0.32 0.00 -0.02 0.00 0.00 33.50 31.86 2nya n PRO 540 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2nya n GLU 541 N 0.58 -0.06 0.04 -0.52 4.07 -1.26 -0.63 120.64 122.87 2nya n GLU 541 Ca 0.04 1.12 0.13 0.00 -0.06 0.00 0.00 57.16 58.39 2nya n GLU 541 Cb 0.37 -1.87 0.51 0.00 -0.06 0.00 0.00 31.44 30.39 2nya n GLU 541 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 2nya n ASP 542 N -4.95 0.33 0.09 4.31 3.85 -1.26 -0.18 116.55 118.74 2nya n ASP 542 Ca 0.23 0.54 -0.23 0.00 -0.71 0.00 0.00 54.79 54.61 2nya n ASP 542 Cb 0.76 -0.62 -0.15 0.00 -1.35 0.00 0.00 41.12 39.75 2nya n ASP 542 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 2nya h LEU 543 N 0.00 0.68 -1.05 -2.12 3.38 -1.23 -3.35 115.31 111.62 2nya h LEU 543 Ca 0.00 -0.93 0.02 0.00 0.09 0.00 0.00 57.88 57.06 2nya h LEU 543 Cb 0.56 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 2nya h LEU 543 CO 0.00 1.73 0.64 -0.07 0.09 0.00 0.00 178.44 180.83 2nya h LEU 544 N 0.06 1.09 -1.27 1.67 3.38 -1.04 -2.24 115.31 116.96 2nya h LEU 544 Ca -0.30 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2nya h LEU 544 Cb 2.08 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.56 2nya h LEU 544 CO 0.20 0.77 0.00 0.00 0.09 0.00 0.00 178.44 179.51 2nya n ALA 545 N -2.38 1.04 0.11 1.53 0.00 0.75 0.03 120.51 121.59 2nya n ALA 545 Ca 0.12 0.18 0.04 0.00 0.00 0.00 0.00 53.44 53.78 2nya n ALA 545 Cb 0.05 -1.28 0.01 0.00 0.00 0.00 0.00 19.45 18.23 2nya n ALA 545 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2nya h LYS 546 N 0.00 0.00 -1.79 0.00 1.57 -1.54 -3.40 116.57 111.41 2nya h LYS 546 Ca 0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.34 2nya h LYS 546 Cb 0.00 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.01 2nya h LYS 546 CO 0.00 0.31 -0.83 1.63 -0.57 0.00 0.00 179.45 179.99 2nya n LYS 547 N -3.04 0.38 0.12 3.15 5.02 0.10 -4.99 118.16 118.91 2nya n LYS 547 Ca -0.01 -2.77 0.09 0.00 -2.02 0.00 0.00 58.31 53.60 2nya n LYS 547 Cb 0.72 -1.54 0.46 0.00 -0.02 0.00 0.00 35.03 34.64 2nya n LYS 547 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2nya n PRO 548 N 2.61 0.12 0.19 1.97 -0.02 -0.98 -2.05 135.00 136.84 2nya n PRO 548 Ca 0.24 0.53 0.14 0.00 -2.02 0.00 0.00 63.50 62.39 2nya n PRO 548 Cb 0.52 -1.84 0.57 0.00 -0.02 0.00 0.00 33.50 32.73 2nya n PRO 548 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2nya h GLU 549 N 0.00 0.00 -0.43 -0.52 9.09 -1.94 -1.94 114.58 118.83 2nya h GLU 549 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2nya h GLU 549 Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.22 2nya h GLU 549 CO 0.00 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.34 2nya n LEU 550 N -2.59 2.23 -4.76 3.06 4.77 -0.87 -4.94 117.00 113.90 2nya n LEU 550 Ca 0.02 -1.12 -0.39 0.00 -0.03 0.00 0.00 56.01 54.49 2nya n LEU 550 Cb 0.27 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 2nya n LEU 550 CO 0.23 0.51 0.69 -0.13 -1.33 0.00 0.00 177.39 177.36 2nya s ARG 551 N -1.53 4.69 -1.27 3.23 0.52 -0.73 -3.44 118.95 120.41 2nya s ARG 551 Ca 0.26 1.53 0.00 0.00 -0.52 0.00 0.00 55.73 57.00 2nya s ARG 551 Cb 0.14 -3.09 0.00 0.00 0.52 0.00 0.00 34.95 32.52 2nya s ARG 551 CO 0.17 0.34 0.00 0.41 0.02 0.00 0.00 175.30 176.23 2nya n GLY 552 N 1.12 0.86 3.82 -3.53 0.00 -1.26 -5.00 105.19 101.19 2nya n GLY 552 Ca -0.00 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 2nya n GLY 552 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nya s LYS 553 N -3.60 3.01 0.36 1.61 1.02 -1.22 -4.92 119.74 116.00 2nya s LYS 553 Ca 0.00 -0.69 -0.02 0.00 0.02 0.00 0.00 55.97 55.27 2nya s LYS 553 Cb 0.00 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.50 2nya s LYS 553 CO 0.00 0.55 0.60 0.95 -0.92 0.00 0.00 175.35 176.53 2nya s THR 554 N -1.53 5.04 0.32 2.17 -4.23 -1.26 0.02 115.64 116.17 2nya s THR 554 Ca 0.31 -0.18 0.01 0.00 -1.18 0.00 0.00 61.69 60.65 2nya s THR 554 Cb -0.12 -3.83 0.27 0.00 1.34 0.00 0.00 72.50 70.17 2nya s THR 554 CO 0.24 -0.56 1.96 -0.07 -0.54 0.00 0.00 174.62 175.65 2nya h LEU 555 N 0.88 0.85 -0.48 4.79 3.38 -0.56 -0.78 115.31 123.39 2nya h LEU 555 Ca -0.49 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.53 2nya h LEU 555 Cb 1.21 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.67 2nya h LEU 555 CO 0.63 0.58 -0.54 0.22 0.09 0.00 0.00 178.44 179.42 2nya h TYR 556 N 0.98 -1.65 -0.27 1.13 3.20 -1.76 0.26 116.97 118.87 2nya h TYR 556 Ca 0.31 0.09 -0.09 0.00 3.14 0.00 0.00 58.73 62.18 2nya h TYR 556 Cb 0.03 0.79 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 2nya h TYR 556 CO -0.00 -0.47 -0.23 0.93 -1.64 0.00 0.00 178.16 176.74 2nya h GLU 557 N -0.34 0.51 0.19 1.82 5.08 -1.56 -0.93 114.58 119.34 2nya h GLU 557 Ca 0.10 -0.19 -0.31 0.00 -1.00 0.00 0.00 59.36 57.96 2nya h GLU 557 Cb 0.58 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.82 2nya h GLU 557 CO -0.64 0.71 -1.37 0.28 -1.00 0.00 0.00 179.01 176.99 2nya h VAL 558 N 0.45 1.39 0.01 3.13 2.07 -0.94 -3.01 116.25 119.36 2nya h VAL 558 Ca 0.07 -2.89 -0.36 0.00 0.82 0.00 0.00 66.70 64.34 2nya h VAL 558 Cb 0.65 2.99 -0.06 0.00 -1.52 0.00 0.00 31.29 33.35 2nya h VAL 558 CO 0.05 0.85 -2.26 0.18 0.02 0.00 0.00 177.57 176.42 2nya n LEU 559 N -3.62 1.02 0.00 2.57 4.77 0.90 -4.75 117.00 117.90 2nya n LEU 559 Ca -0.13 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2nya n LEU 559 Cb 1.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.16 2nya n LEU 559 CO 0.57 0.60 -0.47 -1.22 -1.33 0.00 0.00 177.39 175.55 2nya n TYR 560 N -2.97 0.00 -1.14 -1.77 4.02 -0.46 -4.75 117.16 110.08 2nya n TYR 560 Ca -0.33 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.62 2nya n TYR 560 Cb 1.09 0.00 0.22 0.00 -0.02 0.00 0.00 39.34 40.63 2nya n TYR 560 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2nya n ALA 561 N -1.67 3.13 -1.03 -0.72 0.00 -0.59 -4.45 120.51 115.18 2nya n ALA 561 Ca 0.00 -2.62 -0.29 0.00 0.00 0.00 0.00 53.44 50.53 2nya n ALA 561 Cb 0.24 -0.62 0.17 0.00 0.00 0.00 0.00 19.45 19.24 2nya n ALA 561 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2nya s THR 562 N -2.95 2.37 0.27 0.00 -4.23 -1.14 -4.70 115.64 105.26 2nya s THR 562 Ca 0.40 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 2nya s THR 562 Cb 0.34 -2.49 0.26 0.00 1.34 0.00 0.00 72.50 71.96 2nya s THR 562 CO 0.05 -0.16 1.71 -0.65 -0.54 0.00 0.00 174.62 175.03 2nya h PRO 563 N -1.85 0.41 -0.01 3.99 0.11 -1.95 -2.18 132.00 130.52 2nya h PRO 563 Ca -0.52 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.56 2nya h PRO 563 Cb 1.30 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2nya h PRO 563 CO 0.53 0.27 0.00 0.93 -0.21 0.00 0.00 178.00 179.52 2nya h GLU 564 N 0.42 0.01 0.00 1.05 4.39 -1.98 -1.42 114.58 117.06 2nya h GLU 564 Ca 0.50 -0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.14 2nya h GLU 564 Cb 0.86 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 2nya h GLU 564 CO -0.48 0.29 -0.25 0.28 -1.16 0.00 0.00 179.01 177.69 2nya h VAL 565 N -0.27 0.74 -0.58 3.13 2.07 -1.81 -2.75 116.25 116.79 2nya h VAL 565 Ca 0.00 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.48 2nya h VAL 565 Cb 0.29 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2nya h VAL 565 CO 0.00 0.24 0.00 -1.54 0.02 0.00 0.00 177.57 176.29 2nya n SER 566 N -3.61 4.79 -0.29 0.57 3.41 -0.83 -3.98 113.62 113.67 2nya n SER 566 Ca -0.01 -2.57 0.14 0.00 -0.26 0.00 0.00 58.87 56.16 2nya n SER 566 Cb 0.38 -0.60 0.39 0.00 -0.26 0.00 0.00 64.21 64.12 2nya n SER 566 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2nya h LYS 567 N 3.76 0.64 -4.85 4.33 1.57 -0.94 -3.43 116.57 117.65 2nya h LYS 567 Ca 0.00 -0.04 -0.67 0.00 -1.87 0.00 0.00 60.65 58.07 2nya h LYS 567 Cb 1.55 -0.14 -0.18 0.00 0.08 0.00 0.00 32.23 33.53 2nya h LYS 567 CO 0.31 0.42 -0.33 -0.06 -0.57 0.00 0.00 179.45 179.22 2nya s PHE 568 N -5.68 3.21 0.53 -1.35 0.40 -1.26 -5.04 117.98 108.78 2nya s PHE 568 Ca -0.10 -0.16 -0.21 0.00 -0.60 0.00 0.00 56.93 55.86 2nya s PHE 568 Cb 0.23 -2.65 -0.06 0.00 0.51 0.00 0.00 43.02 41.05 2nya s PHE 568 CO 0.79 -0.47 1.21 -1.25 0.70 0.00 0.00 175.22 176.21 2nya s PRO 569 N 1.94 3.34 0.62 0.24 0.04 -1.26 -0.42 135.00 139.50 2nya s PRO 569 Ca 0.10 1.86 0.35 0.00 0.04 0.00 0.00 61.00 63.35 2nya s PRO 569 Cb -0.17 -2.18 2.03 0.00 0.04 0.00 0.00 34.50 34.22 2nya s PRO 569 CO 0.12 -0.92 2.29 0.28 0.04 0.00 0.00 177.00 178.81 2nya h VAL 570 N 1.40 0.33 -0.18 -0.36 2.07 -1.88 -2.72 116.25 114.90 2nya h VAL 570 Ca -0.50 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.07 2nya h VAL 570 Cb 1.28 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 2nya h VAL 570 CO 0.58 0.00 0.17 0.77 0.02 0.00 0.00 177.57 179.11 2nya h SER 571 N 0.00 0.00 -0.05 0.57 4.64 -1.95 -1.63 113.55 115.13 2nya h SER 571 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2nya h SER 571 Cb 0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2nya h SER 571 CO -0.00 0.00 0.05 -0.33 -0.87 0.00 0.00 176.83 175.68 2nya h GLU 572 N 0.00 0.00 -7.04 4.77 5.08 -1.87 -3.42 114.58 112.11 2nya h GLU 572 Ca 0.09 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.95 2nya h GLU 572 Cb 0.42 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.73 2nya h GLU 572 CO -0.00 0.00 0.44 -0.51 -1.00 0.00 0.00 179.01 177.94 2nya s LEU 573 N -8.03 3.92 0.41 1.33 1.43 -0.62 -5.01 118.68 112.11 2nya s LEU 573 Ca -0.05 2.15 -0.25 0.00 -1.03 0.00 0.00 54.13 54.95 2nya s LEU 573 Cb 0.16 -4.40 -0.11 0.00 0.03 0.00 0.00 46.19 41.87 2nya s LEU 573 CO 0.58 -0.92 1.08 0.00 0.23 0.00 0.00 176.35 177.33 2nya n ALA 574 N -0.77 0.47 -0.04 4.21 0.00 -1.26 -4.91 120.51 118.21 2nya n ALA 574 Ca 0.09 0.25 0.16 0.00 0.00 0.00 0.00 53.44 53.94 2nya n ALA 574 Cb 0.50 -2.13 0.60 0.00 0.00 0.00 0.00 19.45 18.42 2nya n ALA 574 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2nya h GLU 575 N 1.72 0.19 -0.01 0.00 4.81 -1.95 -2.39 114.58 116.94 2nya h GLU 575 Ca -0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2nya h GLU 575 Cb 1.33 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2nya h GLU 575 CO 0.58 0.13 -0.47 -0.40 -0.73 0.00 0.00 179.01 178.11 2nya n ASP 576 N -4.43 1.69 -4.74 1.04 5.75 -1.26 -4.97 116.55 109.62 2nya n ASP 576 Ca 0.10 -1.34 -0.41 0.00 -0.01 0.00 0.00 54.79 53.12 2nya n ASP 576 Cb 0.49 0.55 -0.02 0.00 -1.03 0.00 0.00 41.12 41.11 2nya n ASP 576 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 2nya s GLN 577 N -2.26 4.25 0.40 0.11 0.74 -0.90 -5.01 119.66 116.99 2nya s GLN 577 Ca 0.15 2.33 -0.23 0.00 0.05 0.00 0.00 55.36 57.66 2nya s GLN 577 Cb 0.15 -3.11 -0.09 0.00 1.10 0.00 0.00 33.01 31.06 2nya s GLN 577 CO 0.53 -0.47 1.01 -0.51 -0.55 0.00 0.00 175.29 175.30 2nya s LEU 578 N -0.18 4.10 -0.40 3.68 2.01 -1.26 -4.93 118.68 121.71 2nya s LEU 578 Ca 0.61 1.94 -0.03 0.00 0.01 0.00 0.00 54.13 56.66 2nya s LEU 578 Cb -0.43 -4.26 0.21 0.00 0.01 0.00 0.00 46.19 41.72 2nya s LEU 578 CO 0.42 -0.44 0.99 -3.20 1.01 0.00 0.00 176.35 175.13 2nya n ASN 579 N -0.17 -2.07 0.07 2.29 4.05 -1.26 -4.28 115.26 113.90 2nya n ASN 579 Ca 0.05 -1.57 -0.12 0.00 0.45 0.00 0.00 54.58 53.39 2nya n ASN 579 Cb 0.51 1.05 -0.05 0.00 1.23 0.00 0.00 39.78 42.52 2nya n ASN 579 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 177.26 174.65 2nya h ASP 580 N 4.42 -0.91 0.13 1.20 5.19 -1.94 0.50 116.42 125.01 2nya h ASP 580 Ca 0.01 0.12 0.01 0.00 -0.62 0.00 0.00 57.03 56.55 2nya h ASP 580 Cb 1.15 0.36 -0.02 0.00 0.18 0.00 0.00 39.33 41.00 2nya h ASP 580 CO -0.07 -0.38 -0.17 -0.33 -3.12 0.00 0.00 179.24 175.16 2nya h GLU 581 N -0.47 -0.34 -0.44 3.56 3.07 -1.98 0.55 114.58 118.51 2nya h GLU 581 Ca 0.05 0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 58.89 2nya h GLU 581 Cb 0.55 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 2nya h GLU 581 CO -0.24 -0.23 0.09 0.77 -1.40 0.00 0.00 179.01 178.00 2nya h SER 582 N -0.36 0.69 0.39 1.42 0.02 -1.74 -0.55 113.55 113.42 2nya h SER 582 Ca 0.02 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 60.65 2nya h SER 582 Cb 0.36 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2nya h SER 582 CO -0.07 0.76 -0.33 0.03 -1.14 0.00 0.00 176.83 176.08 2nya h ARG 583 N 0.59 0.00 -0.01 3.45 3.08 0.19 0.68 114.38 122.36 2nya h ARG 583 Ca 0.14 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 2nya h ARG 583 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2nya h ARG 583 CO 0.01 0.33 -0.15 1.49 -1.07 0.00 0.00 179.97 180.57 2nya h GLU 584 N 0.00 0.12 0.00 0.04 4.81 -0.56 -3.34 114.58 115.65 2nya h GLU 584 Ca -0.00 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2nya h GLU 584 Cb 0.61 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2nya h GLU 584 CO 0.04 0.82 -0.15 1.28 -0.73 0.00 0.00 179.01 180.28 2nya n LEU 585 N -4.60 0.31 0.00 1.64 4.77 -0.24 -4.92 117.00 113.96 2nya n LEU 585 Ca -0.09 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 2nya n LEU 585 Cb 0.43 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2nya n LEU 585 CO 0.37 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2nya n GLY 586 N 1.45 0.70 3.34 -0.72 0.00 0.20 -5.04 105.19 105.12 2nya n GLY 586 Ca 0.06 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2nya n GLY 586 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2nya s PHE 587 N -2.00 -0.30 -1.10 1.61 -0.12 -1.18 -4.32 117.98 110.57 2nya s PHE 587 Ca 0.00 0.25 -0.25 0.00 -0.05 0.00 0.00 56.93 56.88 2nya s PHE 587 Cb 0.00 0.26 -0.15 0.00 -0.63 0.00 0.00 43.02 42.50 2nya s PHE 587 CO 0.00 -0.61 2.05 -0.47 -0.05 0.00 0.00 175.22 176.14 2nya s TYR 588 N -2.64 1.55 0.14 3.49 6.04 0.44 -4.52 117.35 121.84 2nya s TYR 588 Ca -0.04 1.45 -0.24 0.00 0.04 0.00 0.00 57.07 58.28 2nya s TYR 588 Cb -0.00 -3.65 0.01 0.00 -1.04 0.00 0.00 41.96 37.27 2nya s TYR 588 CO -0.03 -0.99 1.63 1.25 -1.54 0.00 0.00 175.55 175.86 2nya h LEU 589 N 20.25 -0.81 -0.77 6.97 5.85 -1.86 -2.52 115.31 142.42 2nya h LEU 589 Ca 0.10 0.13 0.14 0.00 0.84 0.00 0.00 57.88 59.10 2nya h LEU 589 Cb 0.97 0.36 -0.09 0.00 0.37 0.00 0.00 40.66 42.27 2nya h LEU 589 CO 1.11 -0.30 0.33 1.56 -0.34 0.00 0.00 178.44 180.80 2nya h GLN 590 N -0.30 0.47 -0.41 1.25 7.50 -1.94 -1.46 115.11 120.22 2nya h GLN 590 Ca 0.12 -0.03 -0.15 0.00 0.50 0.00 0.00 58.65 59.09 2nya h GLN 590 Cb 0.47 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.89 2nya h GLN 590 CO -0.35 0.31 -0.32 -0.22 -1.50 0.00 0.00 178.83 176.75 2nya h LYS 591 N 0.48 0.93 -0.18 1.46 3.64 -1.90 -1.45 116.57 119.54 2nya h LYS 591 Ca 0.42 -0.45 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 2nya h LYS 591 Cb 0.62 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2nya h LYS 591 CO -0.39 1.11 -0.09 0.78 -2.27 0.00 0.00 179.45 178.58 2nya h GLY 592 N 0.84 0.42 0.66 5.01 0.00 -0.91 0.11 103.07 109.20 2nya h GLY 592 Ca 0.08 -0.38 0.05 0.00 0.00 0.00 0.00 47.33 47.07 2nya h GLY 592 CO 0.08 0.35 0.13 1.41 0.00 0.00 0.00 176.54 178.51 2nya h LEU 593 N 0.07 0.14 -0.87 3.11 3.38 -1.36 -1.45 115.31 118.32 2nya h LEU 593 Ca 0.04 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2nya h LEU 593 Cb 0.58 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2nya h LEU 593 CO 0.03 0.12 -0.04 0.15 0.09 0.00 0.00 178.44 178.78 2nya h PHE 594 N 0.29 0.85 0.01 1.13 3.57 -0.91 -0.68 116.94 121.19 2nya h PHE 594 Ca 0.18 -0.13 -0.22 0.00 3.53 0.00 0.00 57.97 61.33 2nya h PHE 594 Cb 0.16 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 2nya h PHE 594 CO -0.15 0.81 -0.93 0.93 -2.23 0.00 0.00 178.31 176.74 2nya h GLU 595 N 0.73 0.33 0.25 1.11 4.39 -0.61 0.12 114.58 120.90 2nya h GLU 595 Ca 0.14 -0.36 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 2nya h GLU 595 Cb 0.50 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2nya h GLU 595 CO 0.03 1.06 -0.12 1.49 -1.16 0.00 0.00 179.01 180.30 2nya h GLU 596 N 0.18 -0.33 -0.30 2.33 4.81 -1.16 -2.98 114.58 117.12 2nya h GLU 596 Ca -0.07 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2nya h GLU 596 Cb 1.57 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 31.00 2nya h GLU 596 CO 0.15 -0.18 0.17 -0.92 -0.73 0.00 0.00 179.01 177.51 2nya h TYR 597 N -0.39 0.33 -0.46 0.92 3.20 -1.09 -2.42 116.97 117.05 2nya h TYR 597 Ca -0.03 0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.93 2nya h TYR 597 Cb 0.30 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 2nya h TYR 597 CO -0.04 0.19 0.32 0.00 -1.64 0.00 0.00 178.16 176.99 2nya h ALA 598 N 1.14 2.10 -0.68 1.82 0.00 -0.80 -1.57 119.26 121.27 2nya h ALA 598 Ca 0.12 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.21 2nya h ALA 598 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2nya h ALA 598 CO -0.06 -0.20 0.59 2.35 0.00 0.00 0.00 179.25 181.93 2nya h TRP 599 N 0.26 0.00 -0.12 0.00 7.01 -1.27 -2.43 115.95 119.40 2nya h TRP 599 Ca 0.21 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.16 2nya h TRP 599 Cb 0.50 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.56 2nya h TRP 599 CO -0.00 0.00 -0.12 0.74 -2.79 0.00 0.00 178.44 176.27 2nya h PHE 600 N 0.00 0.36 0.00 2.65 -1.00 -1.43 -3.31 116.94 114.21 2nya h PHE 600 Ca 0.32 -0.11 0.00 0.00 2.81 0.00 0.00 57.97 60.99 2nya h PHE 600 Cb 1.49 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.97 2nya h PHE 600 CO 0.00 0.71 -0.81 0.78 -1.61 0.00 0.00 178.31 177.38 2nya h GLY 601 N -0.09 0.00 -4.94 -1.45 0.00 -1.63 -3.43 103.07 91.53 2nya h GLY 601 Ca 0.02 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.81 2nya h GLY 601 CO 0.03 0.00 0.94 0.50 0.00 0.00 0.00 176.54 178.01 2nya s ARG 602 N -3.24 4.23 0.00 4.80 0.52 -1.08 -0.79 118.95 123.38 2nya s ARG 602 Ca 0.03 2.18 0.00 0.00 -0.52 0.00 0.00 55.73 57.42 2nya s ARG 602 Cb 0.12 -3.62 0.00 0.00 0.52 0.00 0.00 34.95 31.97 2nya s ARG 602 CO 0.76 -0.68 0.00 0.41 0.02 0.00 0.00 175.30 175.80 2nya n GLY 603 N 3.87 0.76 1.66 -3.53 0.00 -1.26 -4.87 105.19 101.81 2nya n GLY 603 Ca 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.12 2nya n GLY 603 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2nya n HIS 604 N -2.32 1.07 -0.53 1.61 8.25 0.03 -4.99 115.22 118.34 2nya n HIS 604 Ca 0.00 -1.64 0.00 0.00 -0.26 0.00 0.00 57.72 55.82 2nya n HIS 604 Cb 0.01 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 30.87 2nya n HIS 604 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nya n GLY 605 N -0.56 1.89 0.66 -1.41 0.00 -1.19 -4.84 105.19 99.72 2nya n GLY 605 Ca 0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.32 2nya n GLY 605 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2nya n HIS 606 N -2.00 0.66 -1.46 1.61 8.25 -0.92 -4.47 115.22 116.89 2nya n HIS 606 Ca 0.00 -0.86 -0.49 0.00 -0.26 0.00 0.00 57.72 56.11 2nya n HIS 606 Cb 0.00 -0.24 -0.07 0.00 1.12 0.00 0.00 29.99 30.80 2nya n HIS 606 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2nya n ASP 607 N -0.62 2.12 -4.80 0.41 8.00 -1.18 -4.66 116.55 115.82 2nya n ASP 607 Ca 0.18 0.35 -0.37 0.00 0.71 0.00 0.00 54.79 55.67 2nya n ASP 607 Cb 0.77 -1.28 -0.06 0.00 -0.02 0.00 0.00 41.12 40.53 2nya n ASP 607 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2nya s LEU 608 N 7.64 4.39 0.91 0.64 1.43 -1.26 -0.14 118.68 132.28 2nya s LEU 608 Ca 1.10 1.53 -0.11 0.00 -1.03 0.00 0.00 54.13 55.63 2nya s LEU 608 Cb -0.82 -3.61 0.14 0.00 0.03 0.00 0.00 46.19 41.93 2nya s LEU 608 CO 0.47 0.04 1.12 0.00 0.23 0.00 0.00 176.35 178.22 2nya s ALA 609 N -1.48 1.45 0.34 4.21 0.00 -1.26 -4.83 121.76 120.19 2nya s ALA 609 Ca 0.43 0.39 -0.28 0.00 0.00 0.00 0.00 51.96 52.50 2nya s ALA 609 Cb -0.18 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 19.45 2nya s ALA 609 CO 0.22 -2.62 1.32 -2.30 0.00 0.00 0.00 175.76 172.38 2nya n PRO 610 N -4.12 2.19 -0.32 0.00 -0.02 -1.26 -4.84 135.00 126.63 2nya n PRO 610 Ca 0.10 0.77 -0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2nya n PRO 610 Cb 0.53 -2.37 0.04 0.00 -0.02 0.00 0.00 33.50 31.68 2nya n PRO 610 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2nya n PHE 611 N 0.43 0.05 0.29 6.00 7.35 -1.26 -1.17 117.46 129.15 2nya n PHE 611 Ca 0.05 1.02 0.15 0.00 -0.76 0.00 0.00 57.45 57.90 2nya n PHE 611 Cb 0.36 -0.83 0.87 0.00 0.35 0.00 0.00 39.48 40.24 2nya n PHE 611 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 2nya h ASP 612 N 0.00 0.00 -0.01 -2.13 3.32 -2.01 -2.51 116.42 113.08 2nya h ASP 612 Ca 0.30 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.21 2nya h ASP 612 Cb 0.50 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2nya h ASP 612 CO -0.82 0.05 -0.46 0.44 -1.72 0.00 0.00 179.24 176.73 2nya h ASP 613 N 0.00 0.60 0.27 6.45 3.45 -1.49 -2.72 116.42 122.98 2nya h ASP 613 Ca -0.00 -0.29 -0.07 0.00 0.43 0.00 0.00 57.03 57.11 2nya h ASP 613 Cb 0.15 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 2nya h ASP 613 CO 0.01 0.97 -0.30 1.88 -1.57 0.00 0.00 179.24 180.23 2nya h TYR 614 N 0.44 0.05 0.00 4.55 -1.99 -1.58 0.47 116.97 118.92 2nya h TYR 614 Ca 0.03 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.75 2nya h TYR 614 Cb 0.98 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.69 2nya h TYR 614 CO 0.04 0.34 0.00 0.72 -0.00 0.00 0.00 178.16 179.26 2nya n HIS 615 N -4.17 0.59 -0.11 4.88 8.25 -1.03 -3.25 115.22 120.39 2nya n HIS 615 Ca -0.02 0.22 -0.25 0.00 -0.26 0.00 0.00 57.72 57.41 2nya n HIS 615 Cb 0.35 -0.85 -0.11 0.00 1.12 0.00 0.00 29.99 30.50 2nya n HIS 615 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2nya n LYS 616 N -2.03 0.61 -1.87 -0.41 5.02 -0.56 -5.04 118.16 113.88 2nya n LYS 616 Ca 0.03 0.36 -0.32 0.00 -2.02 0.00 0.00 58.31 56.37 2nya n LYS 616 Cb 0.25 -1.61 0.02 0.00 -0.02 0.00 0.00 35.03 33.67 2nya n LYS 616 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nya s ALA 617 N -2.46 2.85 -0.30 7.82 0.00 0.05 -4.95 121.76 124.76 2nya s ALA 617 Ca -0.33 0.13 -0.05 0.00 0.00 0.00 0.00 51.96 51.71 2nya s ALA 617 Cb 0.10 -3.16 -0.09 0.00 0.00 0.00 0.00 23.12 19.97 2nya s ALA 617 CO 0.57 -0.86 3.16 0.54 0.00 0.00 0.00 175.76 179.17 2nya n ARG 618 N -2.56 2.31 0.00 0.00 3.00 -1.26 -4.85 116.66 113.30 2nya n ARG 618 Ca 0.07 -1.76 0.00 0.00 -0.01 0.00 0.00 57.85 56.16 2nya n ARG 618 Cb 0.54 -2.11 0.00 0.00 0.00 0.00 0.00 32.46 30.89 2nya n ARG 618 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2nya n GLY 619 N 1.71 0.10 3.15 -0.13 0.00 -1.25 -4.69 105.19 104.08 2nya n GLY 619 Ca 0.47 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 2nya n GLY 619 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nya s LEU 620 N -1.68 1.04 -0.18 0.99 1.43 -1.03 -4.93 118.68 114.32 2nya s LEU 620 Ca 0.00 0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 53.35 2nya s LEU 620 Cb 0.00 0.91 -0.03 0.00 0.03 0.00 0.00 46.19 47.09 2nya s LEU 620 CO 0.00 -0.14 0.51 -0.13 0.23 0.00 0.00 176.35 176.82 2nya s ARG 621 N -0.09 4.23 0.68 1.70 0.52 -1.25 -1.15 118.95 123.58 2nya s ARG 621 Ca -0.02 0.43 -0.11 0.00 -0.52 0.00 0.00 55.73 55.51 2nya s ARG 621 Cb -0.03 -3.53 -0.00 0.00 0.52 0.00 0.00 34.95 31.91 2nya s ARG 621 CO 0.01 -0.08 1.05 1.67 0.02 0.00 0.00 175.30 177.97 2nya s TRP 622 N 1.41 3.25 0.15 -0.53 1.48 -0.96 -2.01 118.94 121.72 2nya s TRP 622 Ca 0.25 1.38 -0.31 0.00 -1.06 0.00 0.00 56.10 56.36 2nya s TRP 622 Cb -0.15 -2.84 -0.08 0.00 -1.16 0.00 0.00 33.47 29.23 2nya s TRP 622 CO 0.10 -1.10 1.37 -2.14 -4.06 0.00 0.00 176.95 171.12 2nya s PRO 623 N -5.08 4.34 -0.38 3.25 0.02 -1.26 -4.55 135.00 131.35 2nya s PRO 623 Ca 0.57 2.08 -0.13 0.00 0.02 0.00 0.00 61.00 63.55 2nya s PRO 623 Cb -0.13 -3.22 0.02 0.00 0.02 0.00 0.00 34.50 31.19 2nya s PRO 623 CO 0.55 -0.37 0.24 0.08 -0.33 0.00 0.00 177.00 177.17 2nya s VAL 624 N 0.67 4.90 -0.10 3.83 1.01 0.80 -2.75 120.40 128.77 2nya s VAL 624 Ca 0.61 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2nya s VAL 624 Cb -0.37 -3.69 0.02 0.00 0.00 0.00 0.00 36.38 32.34 2nya s VAL 624 CO 0.34 -0.21 -0.12 -0.69 0.00 0.00 0.00 175.10 174.42 2nya s VAL 625 N 1.62 1.28 -1.34 2.92 1.01 -0.77 -4.54 120.40 120.58 2nya s VAL 625 Ca 0.04 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 2nya s VAL 625 Cb -0.19 -1.20 -0.00 0.00 0.00 0.00 0.00 36.38 34.99 2nya s VAL 625 CO 0.08 0.40 0.53 0.59 0.00 0.00 0.00 175.10 176.70 2nya n ASN 626 N 4.34 -1.40 0.00 3.32 3.02 -1.26 -1.69 115.26 121.60 2nya n ASN 626 Ca -0.18 -0.99 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 2nya n ASN 626 Cb 0.51 -3.23 0.00 0.00 -0.61 0.00 0.00 39.78 36.45 2nya n ASN 626 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nya n GLY 627 N -1.87 0.87 3.36 7.41 0.00 -1.26 -4.97 105.19 108.73 2nya n GLY 627 Ca -0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 2nya n GLY 627 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2nya s LYS 628 N -0.31 3.38 0.75 1.61 2.20 -0.68 -5.10 119.74 121.60 2nya s LYS 628 Ca 0.00 -0.64 -0.11 0.00 -0.36 0.00 0.00 55.97 54.85 2nya s LYS 628 Cb 0.00 -3.22 0.04 0.00 -1.51 0.00 0.00 37.83 33.15 2nya s LYS 628 CO 0.00 -0.27 1.09 -1.83 -0.36 0.00 0.00 175.35 173.99 2nya s GLU 629 N 1.53 2.39 -0.19 4.03 -1.05 -1.26 -1.85 118.70 122.30 2nya s GLU 629 Ca 0.05 1.20 -0.03 0.00 -0.15 0.00 0.00 54.97 56.04 2nya s GLU 629 Cb -0.15 -1.91 -0.01 0.00 -0.44 0.00 0.00 34.13 31.61 2nya s GLU 629 CO 0.01 -1.54 -0.06 0.99 0.95 0.00 0.00 175.26 175.60 2nya s THR 630 N -2.80 3.39 -0.12 1.83 2.01 -0.85 -4.93 115.64 114.16 2nya s THR 630 Ca 0.62 -0.51 -0.20 0.00 0.31 0.00 0.00 61.69 61.92 2nya s THR 630 Cb -0.18 -2.51 -0.26 0.00 0.01 0.00 0.00 72.50 69.57 2nya s THR 630 CO 0.53 0.46 0.56 1.56 -0.69 0.00 0.00 174.62 177.04 2nya h GLN 631 N 7.55 0.17 -4.75 4.92 4.20 -1.88 -3.43 115.11 121.89 2nya h GLN 631 Ca -0.36 -0.28 -0.57 0.00 0.06 0.00 0.00 58.65 57.49 2nya h GLN 631 Cb 1.18 0.11 -0.34 0.00 0.30 0.00 0.00 27.48 28.72 2nya h GLN 631 CO 0.60 1.14 -0.83 -1.58 -0.67 0.00 0.00 178.83 177.48 2nya s TRP 632 N -2.41 1.88 0.20 2.96 0.51 -1.26 -3.97 118.94 116.85 2nya s TRP 632 Ca -0.21 -0.82 -0.01 0.00 -2.12 0.00 0.00 56.10 52.94 2nya s TRP 632 Cb 0.03 -1.35 -0.04 0.00 -0.81 0.00 0.00 33.47 31.30 2nya s TRP 632 CO 0.73 -0.41 0.40 1.03 -0.51 0.00 0.00 176.95 178.19 2nya s ARG 633 N 0.83 3.53 0.00 4.98 0.52 -0.57 -3.53 118.95 124.71 2nya s ARG 633 Ca -0.10 -0.31 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 2nya s ARG 633 Cb -0.16 -2.83 0.00 0.00 0.52 0.00 0.00 34.95 32.49 2nya s ARG 633 CO 0.01 0.39 0.00 0.66 0.02 0.00 0.00 175.30 176.38 2nya n TYR 634 N -0.64 0.00 -4.90 -0.53 4.01 -1.26 -4.66 117.16 109.19 2nya n TYR 634 Ca -0.04 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.37 2nya n TYR 634 Cb 0.54 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.41 2nya n TYR 634 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2nya s SER 635 N -3.55 3.63 0.07 7.72 1.04 -1.26 -0.26 113.70 121.09 2nya s SER 635 Ca 0.00 -0.43 -0.37 0.00 0.48 0.00 0.00 55.95 55.63 2nya s SER 635 Cb 0.00 -1.53 -0.18 0.00 0.10 0.00 0.00 66.02 64.41 2nya s SER 635 CO 0.00 0.15 1.23 1.21 0.98 0.00 0.00 173.24 176.82 2nya n GLU 636 N 3.60 0.82 0.00 4.02 2.13 -0.20 -1.71 120.64 129.31 2nya n GLU 636 Ca -0.19 0.29 0.00 0.00 0.66 0.00 0.00 57.16 57.93 2nya n GLU 636 Cb 0.53 -1.87 0.00 0.00 0.27 0.00 0.00 31.44 30.36 2nya n GLU 636 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2nya n GLY 637 N 2.18 2.48 0.08 8.31 0.00 -1.26 -4.78 105.19 112.19 2nya n GLY 637 Ca 0.18 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.71 2nya n GLY 637 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2nya h ASN 638 N 0.00 0.00 -3.24 1.61 2.35 -1.59 -3.45 115.58 111.26 2nya h ASN 638 Ca 0.00 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.09 2nya h ASN 638 Cb 0.00 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 38.06 2nya h ASN 638 CO 0.00 0.95 -0.80 -0.62 -1.65 0.00 0.00 177.43 175.31 2nya s ASP 639 N -6.21 3.65 0.00 5.81 3.68 -1.17 -4.58 116.67 117.86 2nya s ASP 639 Ca -0.03 -0.51 0.13 0.00 2.13 0.00 0.00 52.55 54.27 2nya s ASP 639 Cb 0.08 -1.58 0.77 0.00 -1.45 0.00 0.00 42.92 40.74 2nya s ASP 639 CO 0.82 0.03 1.21 -0.81 0.13 0.00 0.00 175.17 176.55 2nya n PRO 640 N 4.43 0.56 0.01 4.34 -0.04 -1.26 -1.82 135.00 141.22 2nya n PRO 640 Ca -0.19 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.28 2nya n PRO 640 Cb 0.51 -1.36 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 2nya n PRO 640 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2nya n TYR 641 N -0.86 0.62 -2.83 0.54 4.01 -1.26 -4.86 117.16 112.53 2nya n TYR 641 Ca 0.10 0.20 -0.41 0.00 -0.16 0.00 0.00 57.90 57.63 2nya n TYR 641 Cb 0.04 -0.95 -0.04 0.00 -0.31 0.00 0.00 39.34 38.08 2nya n TYR 641 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2nya s VAL 642 N -3.00 4.65 0.62 -0.72 1.01 -0.76 -5.02 120.40 117.19 2nya s VAL 642 Ca -0.05 1.89 0.02 0.00 0.00 0.00 0.00 61.98 63.84 2nya s VAL 642 Cb 0.09 -4.24 0.08 0.00 0.00 0.00 0.00 36.38 32.31 2nya s VAL 642 CO 0.83 0.31 0.86 -0.75 0.00 0.00 0.00 175.10 176.35 2nya s LYS 643 N 0.15 2.16 -0.17 2.72 2.20 -1.26 -4.61 119.74 120.93 2nya s LYS 643 Ca 0.44 -1.08 -0.08 0.00 -0.36 0.00 0.00 55.97 54.90 2nya s LYS 643 Cb -0.22 -2.46 -0.04 0.00 -1.51 0.00 0.00 37.83 33.59 2nya s LYS 643 CO 0.27 -1.01 0.54 0.00 -0.36 0.00 0.00 175.35 174.78 2nya n ALA 644 N -2.50 0.06 -2.77 3.13 0.00 -1.26 -2.87 120.51 114.29 2nya n ALA 644 Ca 0.12 -0.02 -0.19 0.00 0.00 0.00 0.00 53.44 53.34 2nya n ALA 644 Cb 0.60 -0.47 0.02 0.00 0.00 0.00 0.00 19.45 19.60 2nya n ALA 644 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nya n GLY 645 N 1.48 -0.39 0.02 0.00 0.00 -1.26 -4.90 105.19 100.13 2nya n GLY 645 Ca 0.13 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.25 2nya n GLY 645 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nya n GLU 646 N -3.41 0.40 0.00 1.61 1.02 -1.14 -4.97 120.64 114.16 2nya n GLU 646 Ca -0.13 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 2nya n GLU 646 Cb 0.62 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 2nya n GLU 646 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2nya n GLY 647 N 1.34 0.63 2.87 0.62 0.00 -1.26 -4.61 105.19 104.77 2nya n GLY 647 Ca -0.01 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2nya n GLY 647 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nya s TYR 648 N 0.00 0.05 -0.10 1.61 1.51 -1.26 -1.03 117.35 118.14 2nya s TYR 648 Ca 0.00 0.01 -0.02 0.00 -1.01 0.00 0.00 57.07 56.05 2nya s TYR 648 Cb 0.00 -0.06 0.03 0.00 -0.11 0.00 0.00 41.96 41.83 2nya s TYR 648 CO 0.00 -0.01 0.01 0.21 -1.11 0.00 0.00 175.55 174.65 2nya s LYS 649 N 0.12 0.58 -1.23 -0.62 2.20 0.64 -4.99 119.74 116.44 2nya s LYS 649 Ca -0.01 0.02 -0.09 0.00 -0.36 0.00 0.00 55.97 55.52 2nya s LYS 649 Cb -0.02 -1.19 0.20 0.00 -1.51 0.00 0.00 37.83 35.30 2nya s LYS 649 CO -0.00 -0.38 1.70 1.19 -0.36 0.00 0.00 175.35 177.49 2nya n PHE 650 N 5.14 3.30 0.92 4.03 3.72 -0.80 -4.43 117.46 129.34 2nya n PHE 650 Ca -0.07 -2.91 0.00 0.00 -0.05 0.00 0.00 57.45 54.42 2nya n PHE 650 Cb 0.49 -1.86 0.00 0.00 -0.94 0.00 0.00 39.48 37.17 2nya n PHE 650 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 2nya n TYR 651 N 3.69 0.00 -0.04 1.38 0.18 -1.26 -1.54 117.16 119.57 2nya n TYR 651 Ca 0.36 0.00 -0.16 0.00 1.88 0.00 0.00 57.90 59.98 2nya n TYR 651 Cb 0.37 -0.01 -0.07 0.00 -0.38 0.00 0.00 39.34 39.25 2nya n TYR 651 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 2nya h GLY 652 N 3.11 0.82 -4.66 -7.48 0.00 -1.85 -3.45 103.07 89.57 2nya h GLY 652 Ca 0.00 -1.09 -0.58 0.00 0.00 0.00 0.00 47.33 45.66 2nya h GLY 652 CO 0.00 0.97 -0.05 0.54 0.00 0.00 0.00 176.54 178.00 2nya s LYS 653 N -3.86 4.16 0.54 4.80 -0.14 -0.59 -4.65 119.74 120.01 2nya s LYS 653 Ca -0.11 0.70 0.35 0.00 -1.36 0.00 0.00 55.97 55.54 2nya s LYS 653 Cb 0.08 -3.23 1.53 0.00 -1.68 0.00 0.00 37.83 34.53 2nya s LYS 653 CO 0.88 0.64 1.83 -1.35 -0.76 0.00 0.00 175.35 176.59 2nya h PRO 654 N 4.53 0.00 -0.34 -1.68 0.11 -1.86 0.80 132.00 133.56 2nya h PRO 654 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2nya h PRO 654 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2nya h PRO 654 CO 0.63 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 2nya n ASP 655 N -4.18 4.10 -0.74 -2.05 5.75 -1.26 -4.98 116.55 113.19 2nya n ASP 655 Ca 0.23 -2.86 -0.10 0.00 -0.01 0.00 0.00 54.79 52.06 2nya n ASP 655 Cb 1.15 -0.53 -0.04 0.00 -1.03 0.00 0.00 41.12 40.67 2nya n ASP 655 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2nya n GLY 656 N -0.13 0.95 3.54 6.12 0.00 0.27 -4.98 105.19 110.96 2nya n GLY 656 Ca 0.21 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2nya n GLY 656 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nya s LYS 657 N -2.74 2.61 0.67 1.61 1.02 -1.25 -1.90 119.74 119.75 2nya s LYS 657 Ca 0.00 -0.64 -0.11 0.00 0.02 0.00 0.00 55.97 55.24 2nya s LYS 657 Cb 0.00 -2.49 -0.01 0.00 -0.52 0.00 0.00 37.83 34.81 2nya s LYS 657 CO 0.00 0.64 1.05 0.00 -0.92 0.00 0.00 175.35 176.12 2nya s ALA 658 N -0.81 2.85 -0.12 5.17 0.00 -0.76 -4.67 121.76 123.43 2nya s ALA 658 Ca 0.13 -0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.07 2nya s ALA 658 Cb -0.11 -3.12 0.01 0.00 0.00 0.00 0.00 23.12 19.90 2nya s ALA 658 CO 0.02 -1.02 -0.21 0.08 0.00 0.00 0.00 175.76 174.63 2nya s VAL 659 N -3.14 1.91 -0.05 0.00 1.01 -0.53 -1.33 120.40 118.28 2nya s VAL 659 Ca 0.57 -0.91 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 2nya s VAL 659 Cb -0.12 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 2nya s VAL 659 CO 0.54 0.52 0.56 -0.63 0.00 0.00 0.00 175.10 176.09 2nya s ILE 660 N 0.68 5.02 -0.17 2.22 1.01 0.32 -4.61 121.20 125.67 2nya s ILE 660 Ca -0.11 1.15 -0.01 0.00 0.00 0.00 0.00 60.65 61.67 2nya s ILE 660 Cb -0.16 -3.89 -0.01 0.00 0.01 0.00 0.00 42.46 38.41 2nya s ILE 660 CO 0.02 0.38 -0.12 -0.36 0.00 0.00 0.00 174.94 174.86 2nya s PHE 661 N 0.11 2.84 -0.28 3.97 0.08 -1.26 -0.59 117.98 122.86 2nya s PHE 661 Ca 0.30 -0.94 -0.26 0.00 0.12 0.00 0.00 56.93 56.15 2nya s PHE 661 Cb -0.17 -1.94 0.00 0.00 -0.57 0.00 0.00 43.02 40.34 2nya s PHE 661 CO 0.15 -0.44 0.89 0.00 -0.10 0.00 0.00 175.22 175.71 2nya s ALA 662 N 0.91 3.58 -0.04 5.36 0.00 0.11 -4.78 121.76 126.90 2nya s ALA 662 Ca -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 2nya s ALA 662 Cb -0.15 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.60 2nya s ALA 662 CO -0.01 -1.16 0.08 -0.51 0.00 0.00 0.00 175.76 174.17 2nya s LEU 663 N 3.09 1.14 0.74 0.00 1.43 -1.26 -2.70 118.68 121.12 2nya s LEU 663 Ca 0.37 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.59 2nya s LEU 663 Cb -0.14 0.17 0.12 0.00 0.03 0.00 0.00 46.19 46.37 2nya s LEU 663 CO 0.11 -0.11 1.03 -2.16 0.23 0.00 0.00 176.35 175.45 2nya s PRO 664 N 0.81 1.66 0.26 1.29 0.04 -1.26 -4.96 135.00 132.85 2nya s PRO 664 Ca -0.06 -0.83 -0.29 0.00 0.04 0.00 0.00 61.00 59.86 2nya s PRO 664 Cb -0.09 -2.24 -0.09 0.00 0.04 0.00 0.00 34.50 32.12 2nya s PRO 664 CO -0.03 -1.51 1.15 0.12 0.04 0.00 0.00 177.00 176.77 2nya s PHE 665 N -3.25 3.48 0.01 0.56 5.36 -1.26 -4.99 117.98 117.88 2nya s PHE 665 Ca 0.66 1.59 -0.04 0.00 -0.96 0.00 0.00 56.93 58.18 2nya s PHE 665 Cb -0.06 -3.37 -0.01 0.00 -0.34 0.00 0.00 43.02 39.24 2nya s PHE 665 CO 0.45 -0.88 0.06 -1.21 -1.46 0.00 0.00 175.22 172.19 2nya s GLU 666 N -1.14 0.37 0.74 10.12 2.02 -1.26 -5.07 118.70 124.47 2nya s GLU 666 Ca 0.47 -0.43 -0.11 0.00 0.02 0.00 0.00 54.97 54.93 2nya s GLU 666 Cb -0.33 0.14 0.05 0.00 0.10 0.00 0.00 34.13 34.09 2nya s GLU 666 CO 0.41 -0.08 1.11 -1.25 0.02 0.00 0.00 175.26 175.48 2nya s PRO 667 N -1.25 2.43 0.53 0.39 0.05 -1.26 -4.95 135.00 130.95 2nya s PRO 667 Ca -0.13 0.22 -0.20 0.00 0.05 0.00 0.00 61.00 60.94 2nya s PRO 667 Cb -0.08 -2.02 -0.08 0.00 0.05 0.00 0.00 34.50 32.37 2nya s PRO 667 CO 0.00 -1.26 0.73 0.00 0.05 0.00 0.00 177.00 176.52 2nya n ALA 668 N -3.10 -0.60 0.17 8.56 0.00 -1.26 -4.89 120.51 119.39 2nya n ALA 668 Ca 0.07 0.06 0.14 0.00 0.00 0.00 0.00 53.44 53.71 2nya n ALA 668 Cb 0.59 -1.94 0.72 0.00 0.00 0.00 0.00 19.45 18.82 2nya n ALA 668 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nya h ALA 669 N 0.62 2.09 -1.53 0.00 0.00 -1.94 -3.38 119.26 115.11 2nya h ALA 669 Ca -0.45 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.23 2nya h ALA 669 Cb 1.38 0.02 -0.26 0.00 0.00 0.00 0.00 17.79 18.93 2nya h ALA 669 CO 0.50 -0.28 -0.57 -2.00 0.00 0.00 0.00 179.25 176.90 2nya s GLU 670 N -4.93 0.69 0.73 0.00 2.12 -1.26 -5.08 118.70 110.97 2nya s GLU 670 Ca -0.05 -0.51 -0.11 0.00 0.36 0.00 0.00 54.97 54.66 2nya s GLU 670 Cb 0.17 -0.34 0.03 0.00 0.26 0.00 0.00 34.13 34.25 2nya s GLU 670 CO 0.66 -1.18 1.07 0.00 -0.54 0.00 0.00 175.26 175.27 2nya s ALA 671 N 1.72 2.54 0.34 6.30 0.00 -1.26 -3.94 121.76 127.46 2nya s ALA 671 Ca 0.16 -0.04 -0.28 0.00 0.00 0.00 0.00 51.96 51.80 2nya s ALA 671 Cb -0.11 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 19.78 2nya s ALA 671 CO -0.08 -1.39 1.23 -2.14 0.00 0.00 0.00 175.76 173.38 2nya s PRO 672 N -5.10 4.30 0.00 0.00 0.02 -1.26 -4.71 135.00 128.25 2nya s PRO 672 Ca 0.59 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.65 2nya s PRO 672 Cb -0.14 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.41 2nya s PRO 672 CO 0.55 -0.17 0.00 -0.40 -0.33 0.00 0.00 177.00 176.65 2nya n ASP 673 N 0.64 0.00 -0.04 2.53 3.85 -0.95 -4.98 116.55 117.60 2nya n ASP 673 Ca 0.01 0.00 -0.04 0.00 -0.71 0.00 0.00 54.79 54.05 2nya n ASP 673 Cb 0.44 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.15 2nya n ASP 673 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 2nya n GLU 674 N 0.00 2.50 0.31 0.11 0.00 -1.26 -3.79 120.64 118.52 2nya n GLU 674 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.03 2nya n GLU 674 Cb 0.00 -1.19 -0.06 0.00 0.00 0.00 0.00 31.44 30.18 2nya n GLU 674 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2nya h GLU 675 N 0.00 -0.82 -4.24 3.44 4.81 -1.98 -3.38 114.58 112.41 2nya h GLU 675 Ca -0.21 0.06 -0.76 0.00 -0.13 0.00 0.00 59.36 58.32 2nya h GLU 675 Cb 1.45 0.19 -0.22 0.00 0.63 0.00 0.00 28.75 30.80 2nya h GLU 675 CO 0.01 -0.54 0.90 0.71 -0.73 0.00 0.00 179.01 179.35 2nya s TYR 676 N -4.31 3.81 -2.03 0.92 1.51 -1.26 -4.70 117.35 111.28 2nya s TYR 676 Ca -0.12 -2.31 0.17 0.00 -1.01 0.00 0.00 57.07 53.79 2nya s TYR 676 Cb 0.01 -4.10 0.96 0.00 -0.11 0.00 0.00 41.96 38.73 2nya s TYR 676 CO 0.38 -1.20 1.63 -0.40 -1.11 0.00 0.00 175.55 174.84 2nya n ASP 677 N 4.42 0.19 -3.99 2.29 3.85 -0.99 -2.25 116.55 120.07 2nya n ASP 677 Ca 0.30 -1.51 -0.17 0.00 -0.71 0.00 0.00 54.79 52.70 2nya n ASP 677 Cb 0.42 -0.01 -0.15 0.00 -1.35 0.00 0.00 41.12 40.03 2nya n ASP 677 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 2nya s LEU 678 N -1.52 2.01 0.20 -2.12 1.43 -0.70 -4.89 118.68 113.08 2nya s LEU 678 Ca 0.26 -0.13 -0.31 0.00 -1.03 0.00 0.00 54.13 52.92 2nya s LEU 678 Cb 0.12 -0.38 -0.10 0.00 0.03 0.00 0.00 46.19 45.86 2nya s LEU 678 CO 0.20 0.09 1.50 0.26 0.23 0.00 0.00 176.35 178.63 2nya s TRP 679 N -0.16 3.05 -0.21 0.29 0.23 -0.22 -0.96 118.94 120.97 2nya s TRP 679 Ca 0.03 0.81 -0.06 0.00 -2.03 0.00 0.00 56.10 54.85 2nya s TRP 679 Cb -0.03 -3.87 -0.03 0.00 0.03 0.00 0.00 33.47 29.57 2nya s TRP 679 CO -0.00 -3.04 0.02 -1.17 0.96 0.00 0.00 176.95 173.72 2nya s LEU 680 N 0.51 3.37 0.25 2.99 2.96 0.12 0.95 118.68 129.84 2nya s LEU 680 Ca 0.65 -0.16 0.09 0.00 -0.22 0.00 0.00 54.13 54.49 2nya s LEU 680 Cb -0.43 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 2nya s LEU 680 CO 0.36 0.06 0.05 -0.55 -1.32 0.00 0.00 176.35 174.95 2nya s SER 681 N 1.04 4.84 0.21 3.68 0.15 0.62 -2.48 113.70 121.77 2nya s SER 681 Ca 0.03 -0.51 -0.00 0.00 0.70 0.00 0.00 55.95 56.16 2nya s SER 681 Cb -0.14 -1.02 -0.04 0.00 -1.71 0.00 0.00 66.02 63.11 2nya s SER 681 CO 0.02 0.00 0.15 0.42 1.20 0.00 0.00 173.24 175.03 2nya s THR 682 N -2.21 0.00 0.00 6.45 -4.23 -1.24 -1.69 115.64 112.73 2nya s THR 682 Ca 0.31 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.84 2nya s THR 682 Cb -0.07 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.27 2nya s THR 682 CO 0.21 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 2nya n GLY 683 N -0.31 -0.44 3.65 3.99 0.00 -1.14 -4.76 105.19 106.18 2nya n GLY 683 Ca 0.02 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 2nya n GLY 683 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nya s ARG 684 N -1.53 2.02 0.01 1.61 0.52 -1.26 -2.22 118.95 118.10 2nya s ARG 684 Ca 0.00 -2.19 -0.01 0.00 -0.52 0.00 0.00 55.73 53.01 2nya s ARG 684 Cb 0.00 -1.55 -0.01 0.00 0.52 0.00 0.00 34.95 33.91 2nya s ARG 684 CO 0.00 -0.16 -0.00 0.54 0.02 0.00 0.00 175.30 175.70 2nya s VAL 685 N -2.80 0.06 0.25 3.52 0.11 -1.26 -4.93 120.40 115.35 2nya s VAL 685 Ca 0.26 -0.47 -0.12 0.00 -2.93 0.00 0.00 61.98 58.72 2nya s VAL 685 Cb 0.07 -0.16 0.35 0.00 -1.53 0.00 0.00 36.38 35.12 2nya s VAL 685 CO 0.13 -0.26 1.52 -0.11 -3.33 0.00 0.00 175.10 173.05 2nya n LEU 686 N 2.29 -0.48 -0.07 2.54 0.00 -1.26 -2.34 117.00 117.68 2nya n LEU 686 Ca -0.18 1.69 0.15 0.00 0.00 0.00 0.00 56.01 57.66 2nya n LEU 686 Cb 0.57 -0.45 0.68 0.00 0.00 0.00 0.00 43.42 44.22 2nya n LEU 686 CO 0.23 -1.57 0.94 -1.84 0.00 0.00 0.00 177.39 175.14 2nya n GLU 687 N -5.52 0.63 -4.47 1.96 0.00 -1.26 -4.73 120.64 107.24 2nya n GLU 687 Ca 0.13 -0.14 -0.22 0.00 0.00 0.00 0.00 57.16 56.93 2nya n GLU 687 Cb 0.44 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.25 2nya n GLU 687 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2nya s HIS 688 N -2.47 1.34 -0.24 -1.84 3.76 -0.99 -4.89 115.29 109.96 2nya s HIS 688 Ca 0.30 -0.33 -0.13 0.00 -0.15 0.00 0.00 55.06 54.75 2nya s HIS 688 Cb 0.20 -0.81 -0.04 0.00 1.11 0.00 0.00 32.58 33.04 2nya s HIS 688 CO 0.46 0.03 0.30 -0.46 -0.85 0.00 0.00 174.74 174.22 2nya s TRP 689 N -0.72 3.30 0.00 1.40 -0.11 -1.26 -4.49 118.94 117.05 2nya s TRP 689 Ca 0.04 0.38 0.00 0.00 1.22 0.00 0.00 56.10 57.73 2nya s TRP 689 Cb -0.07 -2.45 0.00 0.00 -1.50 0.00 0.00 33.47 29.44 2nya s TRP 689 CO 0.01 -0.08 0.00 0.72 -4.62 0.00 0.00 176.95 172.98 2nya n HIS 690 N 4.78 0.00 0.95 5.86 8.25 -1.26 0.55 115.22 134.35 2nya n HIS 690 Ca -0.11 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.44 2nya n HIS 690 Cb 0.51 0.00 0.28 0.00 1.12 0.00 0.00 29.99 31.90 2nya n HIS 690 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2nya n THR 691 N 0.00 0.37 -0.70 1.59 -2.24 -1.26 -3.06 114.28 108.98 2nya n THR 691 Ca 0.00 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 2nya n THR 691 Cb 0.00 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 2nya n THR 691 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nya n GLY 692 N 1.15 0.29 0.31 3.38 0.00 0.19 -4.51 105.19 106.01 2nya n GLY 692 Ca 0.15 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.35 2nya n GLY 692 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2nya h SER 693 N 0.00 0.00 0.04 1.61 4.64 -1.83 0.82 113.55 118.82 2nya h SER 693 Ca 0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 2nya h SER 693 Cb 0.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 2nya h SER 693 CO 0.00 0.02 -1.34 0.24 -0.87 0.00 0.00 176.83 174.88 2nya h MET 694 N 0.00 0.08 0.00 4.77 2.07 -1.88 -3.41 114.93 116.57 2nya h MET 694 Ca -0.00 -0.14 -0.05 0.00 -2.07 0.00 0.00 59.70 57.43 2nya h MET 694 Cb 0.07 0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 29.84 2nya h MET 694 CO 0.00 1.07 -0.47 1.79 1.07 0.00 0.00 176.91 180.37 2nya h THR 695 N -0.70 0.35 0.00 2.22 1.35 -1.54 -2.56 112.91 112.03 2nya h THR 695 Ca -0.33 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.00 2nya h THR 695 Cb 1.48 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.98 2nya h THR 695 CO -0.10 0.20 0.00 0.54 -0.25 0.00 0.00 175.52 175.91 2nya n ARG 696 N -3.06 0.24 -0.30 4.72 1.74 0.27 -2.29 116.66 117.98 2nya n ARG 696 Ca 0.01 0.09 0.10 0.00 -0.77 0.00 0.00 57.85 57.28 2nya n ARG 696 Cb 0.64 -1.50 0.26 0.00 -1.02 0.00 0.00 32.46 30.84 2nya n ARG 696 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2nya n ARG 697 N -1.34 2.77 -3.61 5.56 1.74 -0.96 -4.64 116.66 116.18 2nya n ARG 697 Ca 0.09 -2.43 -0.40 0.00 -0.77 0.00 0.00 57.85 54.33 2nya n ARG 697 Cb 0.20 -1.46 -0.11 0.00 -1.02 0.00 0.00 32.46 30.07 2nya n ARG 697 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2nya s VAL 698 N -1.01 4.43 0.24 1.55 1.01 -0.97 -4.65 120.40 120.99 2nya s VAL 698 Ca 0.39 -1.04 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 2nya s VAL 698 Cb 0.21 -3.55 0.25 0.00 0.00 0.00 0.00 36.38 33.29 2nya s VAL 698 CO 0.27 -0.32 1.66 -0.65 0.00 0.00 0.00 175.10 176.06 2nya h PRO 699 N 8.42 0.17 0.00 2.72 0.11 -1.85 0.98 132.00 142.55 2nya h PRO 699 Ca -0.25 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.81 2nya h PRO 699 Cb 1.10 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2nya h PRO 699 CO 0.69 0.11 -0.22 1.05 -0.21 0.00 0.00 178.00 179.42 2nya h GLU 700 N 0.18 0.00 0.07 1.05 9.09 -1.93 0.53 114.58 123.57 2nya h GLU 700 Ca 0.41 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 59.53 2nya h GLU 700 Cb 0.71 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.79 2nya h GLU 700 CO -0.58 0.22 -1.50 -0.07 0.05 0.00 0.00 179.01 177.14 2nya h LEU 701 N 0.00 0.25 -0.62 3.06 3.38 -1.16 -3.32 115.31 116.90 2nya h LEU 701 Ca -0.00 -0.36 -0.15 0.00 0.09 0.00 0.00 57.88 57.46 2nya h LEU 701 Cb 0.66 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2nya h LEU 701 CO 0.03 1.30 -0.60 -0.74 0.09 0.00 0.00 178.44 178.53 2nya h HIS 702 N 0.04 0.39 -0.07 1.13 2.76 -0.79 -3.24 115.15 115.37 2nya h HIS 702 Ca -0.22 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 2nya h HIS 702 Cb 1.97 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.86 2nya h HIS 702 CO 0.04 0.82 0.00 0.54 -1.30 0.00 0.00 177.93 178.03 2nya n ARG 703 N -3.89 1.71 0.00 5.26 1.74 0.16 -2.08 116.66 119.55 2nya n ARG 703 Ca -0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2nya n ARG 703 Cb 0.62 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.06 2nya n ARG 703 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2nya n ALA 704 N -3.00 0.00 -3.42 7.54 0.00 -1.25 -3.35 120.51 117.03 2nya n ALA 704 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 2nya n ALA 704 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2nya n ALA 704 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2nya n PHE 705 N 0.00 -0.54 0.17 0.00 -0.00 -1.22 -5.03 117.46 110.83 2nya n PHE 705 Ca 0.00 -3.41 0.03 0.00 -0.00 0.00 0.00 57.45 54.07 2nya n PHE 705 Cb 0.00 0.15 0.28 0.00 -0.00 0.00 0.00 39.48 39.91 2nya n PHE 705 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 2nya h PRO 706 N 5.49 0.00 -3.90 -7.13 0.13 -1.42 -3.43 132.00 121.74 2nya h PRO 706 Ca 0.25 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.26 2nya h PRO 706 Cb 0.89 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.86 2nya h PRO 706 CO 0.41 0.47 -0.54 -1.21 -0.23 0.00 0.00 178.00 176.90 2nya s GLU 707 N -3.69 0.63 0.27 0.86 2.02 -1.26 -4.97 118.70 112.56 2nya s GLU 707 Ca -0.01 -0.88 -0.29 0.00 0.02 0.00 0.00 54.97 53.81 2nya s GLU 707 Cb 0.12 0.24 -0.09 0.00 0.10 0.00 0.00 34.13 34.50 2nya s GLU 707 CO 0.72 -0.16 1.11 0.00 0.02 0.00 0.00 175.26 176.96 2nya s ALA 708 N -3.04 3.41 0.42 5.21 0.00 -1.26 -5.05 121.76 121.45 2nya s ALA 708 Ca -0.01 0.91 0.01 0.00 0.00 0.00 0.00 51.96 52.87 2nya s ALA 708 Cb 0.01 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.81 2nya s ALA 708 CO -0.07 -0.19 0.09 1.33 0.00 0.00 0.00 175.76 176.93 2nya n VAL 709 N 1.32 0.00 -4.00 0.00 0.24 -1.26 -4.16 118.33 110.47 2nya n VAL 709 Ca -0.01 -1.91 -0.33 0.00 -2.04 0.00 0.00 64.34 60.06 2nya n VAL 709 Cb 0.45 0.25 -0.14 0.00 -1.47 0.00 0.00 33.84 32.92 2nya n VAL 709 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2nya s LEU 710 N 0.00 3.64 -0.23 1.34 0.20 0.43 -4.38 118.68 119.68 2nya s LEU 710 Ca 0.07 -1.34 -0.28 0.00 0.69 0.00 0.00 54.13 53.26 2nya s LEU 710 Cb -0.01 -1.62 0.01 0.00 -0.43 0.00 0.00 46.19 44.14 2nya s LEU 710 CO 0.05 -0.22 1.01 -0.36 -0.29 0.00 0.00 176.35 176.54 2nya s PHE 711 N 1.17 3.34 0.03 5.38 0.08 -0.63 -0.49 117.98 126.85 2nya s PHE 711 Ca -0.07 1.43 0.01 0.00 0.12 0.00 0.00 56.93 58.42 2nya s PHE 711 Cb -0.20 -3.24 -0.02 0.00 -0.57 0.00 0.00 43.02 38.99 2nya s PHE 711 CO -0.03 -0.46 -0.05 -1.50 -0.10 0.00 0.00 175.22 173.07 2nya s ILE 712 N 3.11 0.34 0.32 0.64 2.07 -0.24 -2.52 121.20 124.92 2nya s ILE 712 Ca 0.43 -0.95 -0.29 0.00 -1.41 0.00 0.00 60.65 58.43 2nya s ILE 712 Cb -0.15 -0.43 -0.10 0.00 0.13 0.00 0.00 42.46 41.90 2nya s ILE 712 CO 0.07 -0.41 1.40 -2.28 -1.91 0.00 0.00 174.94 171.81 2nya s HIS 713 N -1.33 2.91 0.43 3.50 5.65 -1.25 -4.28 115.29 120.92 2nya s HIS 713 Ca -0.12 1.23 0.17 0.00 0.25 0.00 0.00 55.06 56.59 2nya s HIS 713 Cb -0.09 -3.82 1.07 0.00 -1.18 0.00 0.00 32.58 28.56 2nya s HIS 713 CO -0.00 -2.41 1.91 -1.00 -0.65 0.00 0.00 174.74 172.58 2nya h PRO 714 N 3.76 0.39 0.01 2.88 0.13 -1.89 -2.13 132.00 135.14 2nya h PRO 714 Ca -0.49 -0.02 -0.20 0.00 -0.87 0.00 0.00 66.00 64.42 2nya h PRO 714 Cb 1.23 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2nya h PRO 714 CO 0.69 0.26 -0.92 -0.07 -0.23 0.00 0.00 178.00 177.73 2nya h LEU 715 N 0.40 0.16 -1.02 1.56 3.38 -1.98 0.18 115.31 117.99 2nya h LEU 715 Ca 0.39 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 2nya h LEU 715 Cb 0.94 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2nya h LEU 715 CO -0.13 0.99 -0.16 0.44 0.09 0.00 0.00 178.44 179.67 2nya h ASP 716 N 0.06 0.51 0.13 -0.43 5.19 -1.79 0.24 116.42 120.32 2nya h ASP 716 Ca -0.04 -0.15 -0.30 0.00 -0.62 0.00 0.00 57.03 55.93 2nya h ASP 716 Cb 1.58 -0.14 0.03 0.00 0.18 0.00 0.00 39.33 40.98 2nya h ASP 716 CO 0.13 0.69 -1.24 0.00 -3.12 0.00 0.00 179.24 175.70 2nya h ALA 717 N 1.36 0.00 0.65 3.45 0.00 -1.33 -3.25 119.26 120.15 2nya h ALA 717 Ca 0.08 -0.77 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 2nya h ALA 717 Cb 0.56 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 2nya h ALA 717 CO 0.04 0.70 -0.42 -0.22 0.00 0.00 0.00 179.25 179.35 2nya h LYS 718 N 0.28 -0.97 0.00 0.00 1.63 -0.28 -0.93 116.57 116.30 2nya h LYS 718 Ca -0.19 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 2nya h LYS 718 Cb 1.91 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 33.76 2nya h LYS 718 CO 0.24 -0.65 0.00 0.00 -3.45 0.00 0.00 179.45 175.59 2nya n ALA 719 N -2.64 1.41 -0.65 5.00 0.00 0.80 -0.85 120.51 123.59 2nya n ALA 719 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2nya n ALA 719 Cb 0.42 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.87 2nya n ALA 719 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2nya n ARG 720 N -0.32 0.59 -3.69 0.00 0.63 -0.48 -5.01 116.66 108.38 2nya n ARG 720 Ca 0.00 -0.63 -0.23 0.00 -0.92 0.00 0.00 57.85 56.07 2nya n ARG 720 Cb 0.00 -0.68 0.05 0.00 0.45 0.00 0.00 32.46 32.28 2nya n ARG 720 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2nya n ASP 721 N -0.12 -2.79 -4.43 6.15 4.64 -0.03 -4.94 116.55 115.03 2nya n ASP 721 Ca 0.00 -0.74 -0.28 0.00 -1.38 0.00 0.00 54.79 52.39 2nya n ASP 721 Cb 0.33 -4.32 -0.12 0.00 -1.04 0.00 0.00 41.12 35.97 2nya n ASP 721 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2nya s LEU 722 N -6.84 2.48 0.01 -2.67 1.43 -0.48 -5.03 118.68 107.58 2nya s LEU 722 Ca 0.23 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 2nya s LEU 722 Cb -0.11 -1.25 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 2nya s LEU 722 CO 0.79 0.14 -0.04 0.00 0.23 0.00 0.00 176.35 177.47 2nya s ARG 723 N -2.50 0.34 -0.50 1.70 1.70 -1.26 -4.11 118.95 114.32 2nya s ARG 723 Ca 0.19 -0.40 -0.47 0.00 -0.47 0.00 0.00 55.73 54.59 2nya s ARG 723 Cb -0.09 -0.18 -0.20 0.00 -0.57 0.00 0.00 34.95 33.91 2nya s ARG 723 CO 0.09 0.04 1.65 -2.13 -1.08 0.00 0.00 175.30 173.88 2nya n ARG 724 N 2.28 0.02 0.00 3.89 0.63 -1.26 -0.45 116.66 121.76 2nya n ARG 724 Ca -0.18 0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 2nya n ARG 724 Cb 0.57 -1.51 0.00 0.00 0.45 0.00 0.00 32.46 31.97 2nya n ARG 724 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2nya n GLY 725 N 4.34 2.23 3.77 5.14 0.00 0.67 -4.97 105.19 116.38 2nya n GLY 725 Ca 0.33 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.95 2nya n GLY 725 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2nya s ASP 726 N -1.48 6.14 0.13 1.61 1.01 0.40 -4.45 116.67 120.02 2nya s ASP 726 Ca 0.00 2.94 -0.31 0.00 0.71 0.00 0.00 52.55 55.90 2nya s ASP 726 Cb 0.00 -2.66 -0.08 0.00 1.01 0.00 0.00 42.92 41.20 2nya s ASP 726 CO 0.00 -1.00 1.33 -0.75 0.21 0.00 0.00 175.17 174.96 2nya s LYS 727 N -2.26 4.36 -0.03 8.23 2.20 -1.26 0.65 119.74 131.63 2nya s LYS 727 Ca 0.57 2.00 -0.00 0.00 -0.36 0.00 0.00 55.97 58.18 2nya s LYS 727 Cb -0.44 -3.25 0.03 0.00 -1.51 0.00 0.00 37.83 32.65 2nya s LYS 727 CO 0.58 -0.35 0.03 0.54 -0.36 0.00 0.00 175.35 175.79 2nya s VAL 728 N 0.84 -0.01 -0.16 4.02 0.11 0.22 -4.88 120.40 120.54 2nya s VAL 728 Ca 0.61 0.22 -0.21 0.00 -2.93 0.00 0.00 61.98 59.67 2nya s VAL 728 Cb -0.35 -0.14 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 2nya s VAL 728 CO 0.32 0.12 0.61 -0.75 -3.33 0.00 0.00 175.10 172.07 2nya s LYS 729 N 1.23 4.28 -0.22 1.54 2.20 -0.55 0.91 119.74 129.12 2nya s LYS 729 Ca -0.07 0.62 -0.06 0.00 -0.36 0.00 0.00 55.97 56.11 2nya s LYS 729 Cb -0.13 -3.53 -0.02 0.00 -1.51 0.00 0.00 37.83 32.64 2nya s LYS 729 CO -0.03 -0.11 0.03 0.08 -0.36 0.00 0.00 175.35 174.96 2nya s VAL 730 N 1.45 4.07 -0.09 4.02 1.01 0.09 -1.55 120.40 129.41 2nya s VAL 730 Ca 0.30 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.05 2nya s VAL 730 Cb -0.16 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.36 2nya s VAL 730 CO 0.12 0.39 -0.22 -0.69 0.00 0.00 0.00 175.10 174.71 2nya s VAL 731 N 1.26 1.86 0.53 2.92 1.01 0.12 -1.74 120.40 126.36 2nya s VAL 731 Ca 0.04 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.14 2nya s VAL 731 Cb -0.15 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.63 2nya s VAL 731 CO 0.02 0.52 0.17 -0.94 0.00 0.00 0.00 175.10 174.87 2nya s SER 732 N 0.33 4.35 0.30 3.32 1.04 -0.17 -0.33 113.70 122.53 2nya s SER 732 Ca -0.16 -1.48 0.22 0.00 0.48 0.00 0.00 55.95 55.01 2nya s SER 732 Cb -0.17 0.49 1.09 0.00 0.10 0.00 0.00 66.02 67.53 2nya s SER 732 CO 0.07 -0.97 1.68 0.54 0.98 0.00 0.00 173.24 175.54 2nya n ARG 733 N -1.48 0.16 -0.01 4.02 1.74 -1.26 -3.37 116.66 116.46 2nya n ARG 733 Ca -0.12 0.56 0.03 0.00 -0.77 0.00 0.00 57.85 57.55 2nya n ARG 733 Cb 0.66 -1.92 -0.07 0.00 -1.02 0.00 0.00 32.46 30.10 2nya n ARG 733 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2nya n ARG 734 N -2.25 0.72 0.00 5.56 1.74 -1.26 -5.10 116.66 116.07 2nya n ARG 734 Ca -0.00 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 2nya n ARG 734 Cb 0.11 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 2nya n ARG 734 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nya n GLY 735 N 2.08 -0.77 3.05 -0.13 0.00 -1.13 -4.75 105.19 103.54 2nya n GLY 735 Ca -0.04 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 2nya n GLY 735 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2nya s GLU 736 N -2.00 0.51 0.03 1.61 -1.05 -1.26 -1.00 118.70 115.53 2nya s GLU 736 Ca 0.00 -0.89 -0.04 0.00 -0.15 0.00 0.00 54.97 53.89 2nya s GLU 736 Cb 0.00 -0.02 -0.01 0.00 -0.44 0.00 0.00 34.13 33.65 2nya s GLU 736 CO 0.00 -0.03 0.06 0.14 0.95 0.00 0.00 175.26 176.38 2nya s VAL 737 N -2.30 0.12 -0.25 1.83 -7.23 -0.71 -4.92 120.40 106.94 2nya s VAL 737 Ca -0.05 -1.02 -0.08 0.00 -1.81 0.00 0.00 61.98 59.02 2nya s VAL 737 Cb -0.04 -0.69 -0.03 0.00 0.56 0.00 0.00 36.38 36.19 2nya s VAL 737 CO -0.03 -0.56 0.08 -0.63 -0.31 0.00 0.00 175.10 173.64 2nya s ILE 738 N -2.17 4.36 0.14 -0.62 1.01 -1.26 -0.73 121.20 121.93 2nya s ILE 738 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.39 2nya s ILE 738 Cb -0.04 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.38 2nya s ILE 738 CO -0.03 0.32 0.04 -0.24 0.00 0.00 0.00 174.94 175.03 2nya n SER 739 N 4.93 2.09 -4.49 3.58 2.88 0.26 -4.84 113.62 118.03 2nya n SER 739 Ca -0.16 -1.59 -0.32 0.00 -1.33 0.00 0.00 58.87 55.48 2nya n SER 739 Cb 0.51 0.06 -0.12 0.00 -0.75 0.00 0.00 64.21 63.91 2nya n SER 739 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2nya s ILE 740 N -1.25 3.01 -0.24 2.46 1.09 -1.26 0.70 121.20 125.71 2nya s ILE 740 Ca 0.03 -0.98 -0.29 0.00 -1.10 0.00 0.00 60.65 58.31 2nya s ILE 740 Cb -0.00 -2.25 0.01 0.00 -1.06 0.00 0.00 42.46 39.16 2nya s ILE 740 CO 0.02 0.42 1.08 -0.69 -0.10 0.00 0.00 174.94 175.67 2nya s VAL 741 N -0.88 4.59 -0.30 2.92 1.01 0.21 -0.43 120.40 127.52 2nya s VAL 741 Ca 0.14 1.90 0.03 0.00 0.00 0.00 0.00 61.98 64.05 2nya s VAL 741 Cb -0.11 -4.29 0.08 0.00 0.00 0.00 0.00 36.38 32.06 2nya s VAL 741 CO 0.04 -0.25 -0.01 -0.70 0.00 0.00 0.00 175.10 174.19 2nya s GLU 742 N 3.35 1.68 0.00 2.72 2.56 0.35 -0.24 118.70 129.13 2nya s GLU 742 Ca 0.46 -1.55 0.24 0.00 0.00 0.00 0.00 54.97 54.12 2nya s GLU 742 Cb -0.15 -2.94 0.23 0.00 2.00 0.00 0.00 34.13 33.26 2nya s GLU 742 CO 0.09 -0.79 1.23 0.25 -0.56 0.00 0.00 175.26 175.48 2nya n THR 743 N 4.40 0.00 -1.21 -1.70 -2.24 -1.26 -1.08 114.28 111.19 2nya n THR 743 Ca -0.04 -0.15 0.02 0.00 -2.27 0.00 0.00 64.05 61.61 2nya n THR 743 Cb 0.42 0.86 0.03 0.00 -2.10 0.00 0.00 70.33 69.54 2nya n THR 743 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2nya n ARG 744 N -0.62 0.75 0.00 -0.78 0.63 -1.26 -4.61 116.66 110.76 2nya n ARG 744 Ca 0.09 -1.28 0.00 0.00 -0.92 0.00 0.00 57.85 55.74 2nya n ARG 744 Cb 0.40 -0.79 0.00 0.00 0.45 0.00 0.00 32.46 32.51 2nya n ARG 744 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2nya n GLY 745 N -0.39 -2.04 0.24 5.14 0.00 -1.26 -4.93 105.19 101.95 2nya n GLY 745 Ca 0.03 -1.48 0.12 0.00 0.00 0.00 0.00 46.02 44.69 2nya n GLY 745 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2nya h ARG 746 N 0.00 0.00 -4.99 1.61 0.11 -1.98 -3.42 114.38 105.70 2nya h ARG 746 Ca 0.00 0.00 -0.64 0.00 0.10 0.00 0.00 59.98 59.44 2nya h ARG 746 Cb 0.00 0.00 -0.20 0.00 1.11 0.00 0.00 29.97 30.88 2nya h ARG 746 CO 0.00 0.15 -0.58 -0.80 0.10 0.00 0.00 179.97 178.84 2nya s ASN 747 N -6.06 5.48 -0.58 0.08 0.01 -1.26 -3.85 114.94 108.75 2nya s ASN 747 Ca 0.01 -0.10 0.02 0.00 -0.71 0.00 0.00 52.86 52.08 2nya s ASN 747 Cb 0.10 -1.99 0.15 0.00 0.41 0.00 0.00 41.25 39.91 2nya s ASN 747 CO 0.61 -0.00 0.35 -0.13 -1.51 0.00 0.00 177.10 176.42 2nya s ARG 748 N 1.45 2.25 0.37 -0.60 1.81 0.16 -4.69 118.95 119.69 2nya s ARG 748 Ca 0.06 -2.70 -0.25 0.00 -1.72 0.00 0.00 55.73 51.12 2nya s ARG 748 Cb -0.15 -3.47 -0.09 0.00 -0.45 0.00 0.00 34.95 30.78 2nya s ARG 748 CO 0.05 -1.15 1.01 -1.25 -0.68 0.00 0.00 175.30 173.28 2nya s PRO 749 N -0.39 4.34 0.74 3.54 0.04 -1.26 -1.95 135.00 140.07 2nya s PRO 749 Ca 0.18 1.45 -0.14 0.00 0.04 0.00 0.00 61.00 62.53 2nya s PRO 749 Cb -0.22 -2.65 0.05 0.00 0.04 0.00 0.00 34.50 31.72 2nya s PRO 749 CO -0.03 0.03 1.16 -1.25 0.04 0.00 0.00 177.00 176.95 2nya s PRO 750 N -2.31 2.16 0.42 0.56 0.04 -1.26 -3.92 135.00 130.68 2nya s PRO 750 Ca 0.54 1.55 -0.25 0.00 0.04 0.00 0.00 61.00 62.89 2nya s PRO 750 Cb -0.21 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.37 2nya s PRO 750 CO 0.26 -1.78 1.15 1.04 0.04 0.00 0.00 177.00 177.72 2nya n GLN 751 N -2.97 1.65 0.00 4.56 6.02 -1.26 -2.38 117.38 123.00 2nya n GLN 751 Ca 0.12 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 2nya n GLN 751 Cb 0.51 -2.22 0.00 0.00 1.02 0.00 0.00 30.24 29.55 2nya n GLN 751 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nya n GLY 752 N 0.98 2.11 2.96 1.08 0.00 -1.26 -5.06 105.19 106.00 2nya n GLY 752 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 2nya n GLY 752 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nya s LEU 753 N 0.00 1.41 0.07 0.99 0.20 -1.00 -1.05 118.68 119.30 2nya s LEU 753 Ca 0.00 -0.27 0.07 0.00 0.69 0.00 0.00 54.13 54.62 2nya s LEU 753 Cb 0.00 -0.77 -0.04 0.00 -0.43 0.00 0.00 46.19 44.95 2nya s LEU 753 CO 0.00 -0.04 -0.17 0.54 -0.29 0.00 0.00 176.35 176.40 2nya s VAL 754 N 1.10 2.91 -0.05 1.68 0.11 0.27 -4.54 120.40 121.88 2nya s VAL 754 Ca -0.07 -1.26 0.04 0.00 -2.93 0.00 0.00 61.98 57.76 2nya s VAL 754 Cb -0.14 -2.27 -0.00 0.00 -1.53 0.00 0.00 36.38 32.43 2nya s VAL 754 CO -0.01 0.25 -0.18 -0.47 -3.33 0.00 0.00 175.10 171.35 2nya s TYR 755 N -1.02 1.85 -0.03 1.54 5.04 -1.05 -0.27 117.35 123.42 2nya s TYR 755 Ca 0.16 -0.56 0.01 0.00 -2.44 0.00 0.00 57.07 54.25 2nya s TYR 755 Cb -0.11 -1.25 0.01 0.00 0.35 0.00 0.00 41.96 40.97 2nya s TYR 755 CO 0.08 -0.19 -0.05 1.41 -1.34 0.00 0.00 175.55 175.46 2nya s MET 756 N 0.05 0.70 0.50 4.97 1.75 -0.68 -1.61 119.30 124.98 2nya s MET 756 Ca -0.05 -0.13 -0.13 0.00 -1.25 0.00 0.00 55.69 54.13 2nya s MET 756 Cb -0.12 -0.71 -0.07 0.00 2.84 0.00 0.00 34.83 36.77 2nya s MET 756 CO 0.03 -0.02 0.93 -1.25 -0.65 0.00 0.00 175.02 174.05 2nya s PRO 757 N 0.60 3.82 -0.11 4.11 0.04 -1.26 -2.89 135.00 139.31 2nya s PRO 757 Ca -0.08 0.75 0.15 0.00 0.04 0.00 0.00 61.00 61.86 2nya s PRO 757 Cb -0.11 -2.21 0.53 0.00 0.04 0.00 0.00 34.50 32.75 2nya s PRO 757 CO -0.00 -0.26 1.44 1.97 0.04 0.00 0.00 177.00 180.20 2nya n PHE 758 N -1.74 1.00 0.33 0.56 1.16 -0.94 -4.60 117.46 113.22 2nya n PHE 758 Ca 0.05 -0.70 0.15 0.00 -1.87 0.00 0.00 57.45 55.09 2nya n PHE 758 Cb 0.54 -0.23 0.59 0.00 -1.61 0.00 0.00 39.48 38.78 2nya n PHE 758 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 2nya h PHE 759 N 2.53 0.00 -3.01 2.97 -0.00 -1.81 -3.41 116.94 114.22 2nya h PHE 759 Ca 0.00 0.00 -0.73 0.00 -0.00 0.00 0.00 57.97 57.24 2nya h PHE 759 Cb 1.27 0.00 -0.22 0.00 -0.00 0.00 0.00 35.95 37.00 2nya h PHE 759 CO 0.52 0.00 -0.03 0.34 -0.00 0.00 0.00 178.31 179.14 2nya s ASP 760 N -5.22 6.21 0.04 -0.68 3.68 -1.26 -3.51 116.67 115.93 2nya s ASP 760 Ca 0.03 -1.64 0.02 0.00 2.13 0.00 0.00 52.55 53.08 2nya s ASP 760 Cb 0.09 -2.26 0.10 0.00 -1.45 0.00 0.00 42.92 39.40 2nya s ASP 760 CO 0.50 -0.98 0.92 0.00 0.13 0.00 0.00 175.17 175.74 2nya n ALA 761 N 5.77 0.72 0.01 3.66 0.00 -1.26 -1.07 120.51 128.35 2nya n ALA 761 Ca -0.10 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.46 2nya n ALA 761 Cb 0.42 -0.74 -0.13 0.00 0.00 0.00 0.00 19.45 18.99 2nya n ALA 761 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nya n ALA 762 N -1.39 2.74 -3.90 0.00 0.00 -1.26 -4.61 120.51 112.09 2nya n ALA 762 Ca -0.00 -0.46 -0.33 0.00 0.00 0.00 0.00 53.44 52.65 2nya n ALA 762 Cb 0.15 -0.82 -0.13 0.00 0.00 0.00 0.00 19.45 18.65 2nya n ALA 762 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2nya s GLN 763 N -3.48 1.88 -1.24 0.00 -0.21 -0.23 -4.89 119.66 111.49 2nya s GLN 763 Ca -0.06 -2.12 -0.14 0.00 0.02 0.00 0.00 55.36 53.06 2nya s GLN 763 Cb 0.13 -3.41 0.15 0.00 1.00 0.00 0.00 33.01 30.89 2nya s GLN 763 CO 0.88 -1.05 1.57 1.28 -2.12 0.00 0.00 175.29 175.86 2nya n LEU 764 N 3.98 5.47 0.27 2.90 4.77 -1.26 -4.54 117.00 128.58 2nya n LEU 764 Ca 0.03 -4.41 0.15 0.00 -0.03 0.00 0.00 56.01 51.75 2nya n LEU 764 Cb 0.39 -1.61 0.87 0.00 -2.33 0.00 0.00 43.42 40.74 2nya n LEU 764 CO 0.29 0.77 1.13 -0.37 -1.33 0.00 0.00 177.39 177.88 2nya h VAL 765 N 4.60 0.56 0.00 4.08 -1.51 -1.87 0.37 116.25 122.47 2nya h VAL 765 Ca 0.36 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.83 2nya h VAL 765 Cb 0.82 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 2nya h VAL 765 CO 1.36 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 178.29 2nya n ASN 766 N -3.90 0.00 0.25 4.19 3.02 -1.26 0.27 115.26 117.82 2nya n ASN 766 Ca -0.02 -1.06 0.14 0.00 -0.03 0.00 0.00 54.58 53.61 2nya n ASN 766 Cb 0.14 0.00 0.55 0.00 -0.61 0.00 0.00 39.78 39.86 2nya n ASN 766 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2nya h LYS 767 N 0.00 0.00 0.01 3.52 1.57 -0.59 0.38 116.57 121.46 2nya h LYS 767 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 2nya h LYS 767 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 2nya h LYS 767 CO 0.00 0.09 -1.96 1.28 -0.57 0.00 0.00 179.45 178.30 2nya n LEU 768 N -3.21 0.96 -4.75 2.94 4.77 0.14 -2.83 117.00 115.02 2nya n LEU 768 Ca 0.01 0.26 -0.34 0.00 -0.03 0.00 0.00 56.01 55.90 2nya n LEU 768 Cb 0.38 0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.57 2nya n LEU 768 CO 0.30 0.50 0.79 0.42 -1.33 0.00 0.00 177.39 178.07 2nya s THR 769 N -2.56 2.78 -0.29 -5.08 -4.23 -1.20 -4.62 115.64 100.43 2nya s THR 769 Ca -0.10 0.40 -0.11 0.00 -1.18 0.00 0.00 61.69 60.71 2nya s THR 769 Cb 0.07 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.88 2nya s THR 769 CO 0.81 -0.18 0.18 -0.22 -0.54 0.00 0.00 174.62 174.67 2nya s LEU 770 N -4.70 4.06 0.00 4.79 2.96 -1.26 -2.87 118.68 121.67 2nya s LEU 770 Ca 0.72 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 54.47 2nya s LEU 770 Cb -0.26 -2.09 -0.06 0.00 0.50 0.00 0.00 46.19 44.28 2nya s LEU 770 CO 0.40 -0.10 1.56 -0.90 -1.32 0.00 0.00 176.35 175.99 2nya n ASP 771 N 5.05 2.91 -4.80 3.68 5.75 -1.26 -4.60 116.55 123.28 2nya n ASP 771 Ca -0.14 -1.88 -0.36 0.00 -0.01 0.00 0.00 54.79 52.40 2nya n ASP 771 Cb 0.51 -0.69 -0.06 0.00 -1.03 0.00 0.00 41.12 39.85 2nya n ASP 771 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2nya s ALA 772 N 1.31 3.29 0.15 2.12 0.00 -1.26 -4.65 121.76 122.72 2nya s ALA 772 Ca 0.15 0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.47 2nya s ALA 772 Cb 0.07 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 2nya s ALA 772 CO 0.00 0.24 0.02 0.95 0.00 0.00 0.00 175.76 176.97 2nya s THR 773 N -1.63 0.47 0.12 0.00 -4.23 0.89 -1.80 115.64 109.46 2nya s THR 773 Ca 0.48 -1.95 -0.32 0.00 -1.18 0.00 0.00 61.69 58.73 2nya s THR 773 Cb -0.17 -2.06 -0.11 0.00 1.34 0.00 0.00 72.50 71.50 2nya s THR 773 CO 0.22 -0.50 1.82 -0.67 -0.54 0.00 0.00 174.62 174.95 2nya n ASP 774 N -0.17 3.98 0.00 3.99 4.64 -0.16 -3.62 116.55 125.21 2nya n ASP 774 Ca -0.07 1.00 0.14 0.00 -1.38 0.00 0.00 54.79 54.48 2nya n ASP 774 Cb 0.63 -1.54 0.77 0.00 -1.04 0.00 0.00 41.12 39.94 2nya n ASP 774 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 2nya n PRO 775 N 5.47 0.60 -0.10 -0.67 -0.02 -1.26 0.06 135.00 139.08 2nya n PRO 775 Ca 0.18 0.01 -0.21 0.00 -2.02 0.00 0.00 63.50 61.47 2nya n PRO 775 Cb 0.36 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.22 2nya n PRO 775 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2nya n LEU 776 N -1.17 2.70 -0.01 2.45 4.77 -1.26 -4.54 117.00 119.94 2nya n LEU 776 Ca 0.17 0.04 0.11 0.00 -0.03 0.00 0.00 56.01 56.29 2nya n LEU 776 Cb 0.17 -0.95 -0.15 0.00 -2.33 0.00 0.00 43.42 40.16 2nya n LEU 776 CO 0.19 0.83 -0.47 -1.54 -1.33 0.00 0.00 177.39 175.08 2nya n SER 777 N -3.51 0.41 -0.81 -1.43 3.41 -1.23 -4.98 113.62 105.48 2nya n SER 777 Ca -0.43 -0.41 -0.11 0.00 -0.26 0.00 0.00 58.87 57.66 2nya n SER 777 Cb 0.97 1.59 -0.05 0.00 -0.26 0.00 0.00 64.21 66.47 2nya n SER 777 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2nya n LYS 778 N -1.95 -1.11 -2.80 4.33 4.76 0.11 -4.73 118.16 116.77 2nya n LYS 778 Ca -0.01 0.83 -0.41 0.00 -2.87 0.00 0.00 58.31 55.85 2nya n LYS 778 Cb 0.47 -4.92 -0.03 0.00 -1.84 0.00 0.00 35.03 28.71 2nya n LYS 778 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2nya s GLU 779 N -2.73 4.52 0.23 1.97 2.12 -1.24 -4.75 118.70 118.81 2nya s GLU 779 Ca 0.00 1.27 -0.30 0.00 0.36 0.00 0.00 54.97 56.30 2nya s GLU 779 Cb 0.00 -3.46 -0.09 0.00 0.26 0.00 0.00 34.13 30.84 2nya s GLU 779 CO 0.00 -0.03 1.21 0.99 -0.54 0.00 0.00 175.26 176.89 2nya s THR 780 N 1.01 3.38 -1.17 -1.70 2.01 -1.26 -0.99 115.64 116.92 2nya s THR 780 Ca 0.48 1.22 -0.19 0.00 0.31 0.00 0.00 61.69 63.51 2nya s THR 780 Cb -0.20 -3.78 0.09 0.00 0.01 0.00 0.00 72.50 68.62 2nya s THR 780 CO 0.25 0.23 1.55 -0.62 -0.69 0.00 0.00 174.62 175.34 2nya s ASP 781 N -0.12 6.77 0.11 3.53 3.68 -0.75 -4.05 116.67 125.83 2nya s ASP 781 Ca 0.51 -2.23 0.22 0.00 2.13 0.00 0.00 52.55 53.18 2nya s ASP 781 Cb -0.34 -2.53 0.88 0.00 -1.45 0.00 0.00 42.92 39.48 2nya s ASP 781 CO 0.40 -1.18 1.68 0.49 0.13 0.00 0.00 175.17 176.69 2nya n PHE 782 N 7.90 0.39 0.76 -5.34 3.01 -1.26 -3.95 117.46 118.96 2nya n PHE 782 Ca 0.40 0.14 0.07 0.00 1.01 0.00 0.00 57.45 59.07 2nya n PHE 782 Cb 0.47 -0.72 0.20 0.00 -0.01 0.00 0.00 39.48 39.42 2nya n PHE 782 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2nya n LYS 783 N -1.84 1.93 -3.11 -1.08 4.76 -1.26 -3.60 118.16 113.96 2nya n LYS 783 Ca 0.04 -1.43 0.04 0.00 -2.87 0.00 0.00 58.31 54.08 2nya n LYS 783 Cb 0.27 -1.33 -0.00 0.00 -1.84 0.00 0.00 35.03 32.13 2nya n LYS 783 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2nya s LYS 784 N -1.49 0.42 0.05 1.97 2.20 -1.05 -4.14 119.74 117.69 2nya s LYS 784 Ca 0.28 0.19 -0.02 0.00 -0.36 0.00 0.00 55.97 56.06 2nya s LYS 784 Cb 0.15 0.13 0.01 0.00 -1.51 0.00 0.00 37.83 36.60 2nya s LYS 784 CO 0.19 -0.71 0.10 0.00 -0.36 0.00 0.00 175.35 174.57 2nya s ALA 786 N -1.18 2.65 0.08 0.00 0.00 -1.25 -0.71 121.76 121.35 2nya s ALA 786 Ca 0.02 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 50.95 2nya s ALA 786 Cb -0.01 -1.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.07 2nya s ALA 786 CO 0.02 0.46 0.18 0.54 0.00 0.00 0.00 175.76 176.96 2nya s VAL 787 N -0.40 0.14 0.14 0.00 0.11 -0.14 -4.48 120.40 115.78 2nya s VAL 787 Ca 0.04 -1.19 0.06 0.00 -2.93 0.00 0.00 61.98 57.97 2nya s VAL 787 Cb -0.12 -1.32 -0.04 0.00 -1.53 0.00 0.00 36.38 33.37 2nya s VAL 787 CO 0.02 -0.66 -0.14 -1.59 -3.33 0.00 0.00 175.10 169.40 2nya s LYS 788 N -3.77 1.11 -0.06 1.54 -2.85 0.56 -1.72 119.74 114.54 2nya s LYS 788 Ca 0.04 -1.34 0.00 0.00 -1.00 0.00 0.00 55.97 53.68 2nya s LYS 788 Cb 0.05 -0.99 -0.03 0.00 -2.06 0.00 0.00 37.83 34.80 2nya s LYS 788 CO -0.10 0.18 -0.04 -0.51 0.10 0.00 0.00 175.35 174.98 2nya s LEU 789 N -2.67 3.35 0.13 2.77 1.43 -1.26 -0.70 118.68 121.73 2nya s LEU 789 Ca 0.13 0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.32 2nya s LEU 789 Cb -0.04 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 2nya s LEU 789 CO 0.04 0.36 -0.14 -1.83 0.23 0.00 0.00 176.35 175.01 2nya s GLU 790 N -0.93 1.05 0.00 1.70 -1.05 -0.59 -5.02 118.70 113.85 2nya s GLU 790 Ca 0.14 -1.27 0.18 0.00 -0.15 0.00 0.00 54.97 53.87 2nya s GLU 790 Cb -0.11 -0.92 1.09 0.00 -0.44 0.00 0.00 34.13 33.75 2nya s GLU 790 CO 0.03 0.17 1.49 1.63 0.95 0.00 0.00 175.26 179.53