#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 2.70 0.31 4.31 0.00 -1.26 -4.98 121.76 122.84 2nya s ALA 2 Ca 0.00 1.00 -0.29 0.00 0.00 0.00 0.00 51.96 52.67 2nya s ALA 2 Cb 0.00 -3.44 -0.13 0.00 0.00 0.00 0.00 23.12 19.56 2nya s ALA 2 CO 0.00 -1.01 1.35 -0.89 0.00 0.00 0.00 175.76 175.21 2nya n ILE 3 N -1.22 1.64 -3.96 0.00 5.41 -1.26 -4.86 119.36 115.11 2nya n ILE 3 Ca 0.11 -0.41 -0.35 0.00 1.00 0.00 0.00 62.75 63.11 2nya n ILE 3 Cb 0.49 -1.58 -0.10 0.00 -0.71 0.00 0.00 39.64 37.74 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 -1.38 3.99 -0.11 0.38 2.20 0.96 -4.90 119.74 120.89 2nya s LYS 4 Ca 0.59 -0.33 -0.01 0.00 -0.36 0.00 0.00 55.97 55.86 2nya s LYS 4 Cb -0.58 -3.25 -0.03 0.00 -1.51 0.00 0.00 37.83 32.46 2nya s LYS 4 CO 0.58 0.25 -0.07 -1.58 -0.36 0.00 0.00 175.35 174.17 2nya s TRP 5 N 0.43 2.93 0.03 4.03 0.52 -1.25 0.25 118.94 125.88 2nya s TRP 5 Ca 0.04 -0.23 -0.13 0.00 0.02 0.00 0.00 56.10 55.81 2nya s TRP 5 Cb -0.12 -1.81 0.02 0.00 -1.15 0.00 0.00 33.47 30.40 2nya s TRP 5 CO 0.00 0.09 0.27 0.34 0.02 0.00 0.00 176.95 177.68 2nya s ASP 6 N -0.19 -0.09 0.59 2.95 2.15 -0.89 -4.91 116.67 116.28 2nya s ASP 6 Ca 0.02 -0.19 -0.17 0.00 0.43 0.00 0.00 52.55 52.65 2nya s ASP 6 Cb -0.13 0.32 -0.04 0.00 -0.30 0.00 0.00 42.92 42.78 2nya s ASP 6 CO 0.03 -0.56 1.07 -1.59 -0.17 0.00 0.00 175.17 173.95 2nya s LYS 7 N -2.28 3.28 -0.11 4.34 -2.85 -1.26 -0.45 119.74 120.41 2nya s LYS 7 Ca -0.07 1.31 -0.30 0.00 -1.00 0.00 0.00 55.97 55.90 2nya s LYS 7 Cb -0.02 -2.02 0.10 0.00 -2.06 0.00 0.00 37.83 33.83 2nya s LYS 7 CO -0.02 -0.85 0.87 0.00 0.10 0.00 0.00 175.35 175.44 2nya s ALA 8 N -2.29 -1.86 0.55 0.59 0.00 -0.52 -4.43 121.76 113.80 2nya s ALA 8 Ca 0.66 1.45 -0.16 0.00 0.00 0.00 0.00 51.96 53.91 2nya s ALA 8 Cb -0.18 -0.38 -0.06 0.00 0.00 0.00 0.00 23.12 22.51 2nya s ALA 8 CO 0.34 -0.35 1.02 -1.25 0.00 0.00 0.00 175.76 175.52 2nya s PRO 9 N -1.25 3.64 0.46 0.00 0.04 -1.26 0.31 135.00 136.94 2nya s PRO 9 Ca -0.05 1.08 -0.24 0.00 0.04 0.00 0.00 61.00 61.82 2nya s PRO 9 Cb -0.00 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 2nya s PRO 9 CO 0.04 -0.54 1.33 0.00 0.04 0.00 0.00 177.00 177.88 2nya n ARG 11 N -0.28 0.13 0.00 0.00 3.00 -1.26 -4.81 116.66 113.44 2nya n ARG 11 Ca 0.07 0.35 0.00 0.00 -0.00 0.00 0.00 57.85 58.27 2nya n ARG 11 Cb 0.41 -1.73 0.00 0.00 0.00 0.00 0.00 32.46 31.14 2nya n ARG 11 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2nya n PHE 12 N -1.97 0.00 -0.50 -0.14 3.01 -1.26 -4.83 117.46 111.77 2nya n PHE 12 Ca 0.03 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.20 2nya n PHE 12 Cb 0.22 0.00 0.25 0.00 -0.01 0.00 0.00 39.48 39.94 2nya n PHE 12 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2nya n GLY 14 N 0.90 -0.93 0.34 0.00 0.00 0.15 -2.77 105.19 102.88 2nya n GLY 14 Ca 0.04 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 0.88 -3.48 2.61 2.02 -1.84 -2.84 112.91 110.25 2nya h THR 15 Ca 0.00 -0.30 -0.17 0.00 0.77 0.00 0.00 66.41 66.72 2nya h THR 15 Cb 0.18 -0.06 0.07 0.00 -1.74 0.00 0.00 68.15 66.60 2nya h THR 15 CO 0.00 0.16 -0.34 0.61 0.37 0.00 0.00 175.52 176.32 2nya n GLY 16 N -1.33 0.16 3.69 2.16 0.00 -1.11 -4.67 105.19 104.09 2nya n GLY 16 Ca 0.17 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 0.12 2.89 0.02 0.00 0.00 -1.26 -0.10 107.32 108.98 2nya s GLY 18 Ca 0.63 0.82 0.04 0.00 0.00 0.00 0.00 44.72 46.20 2nya s GLY 18 CO 0.54 1.62 -0.12 0.14 0.00 0.00 0.00 173.10 175.28 2nya s VAL 19 N -0.40 0.91 -0.23 1.40 1.01 0.15 -1.77 120.40 121.46 2nya s VAL 19 Ca 0.48 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 61.57 2nya s VAL 19 Cb -0.30 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2nya s VAL 19 CO 0.36 0.06 0.30 -0.76 0.00 0.00 0.00 175.10 175.05 2nya s LEU 20 N -0.79 4.12 -0.22 3.92 1.43 0.02 -1.44 118.68 125.72 2nya s LEU 20 Ca 0.01 0.31 -0.09 0.00 -1.03 0.00 0.00 54.13 53.33 2nya s LEU 20 Cb -0.06 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 2nya s LEU 20 CO 0.00 -0.04 0.12 -0.69 0.23 0.00 0.00 176.35 175.97 2nya s VAL 21 N 1.34 5.07 -0.25 -1.59 1.01 0.40 -0.80 120.40 125.59 2nya s VAL 21 Ca 0.14 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.11 2nya s VAL 21 Cb -0.14 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2nya s VAL 21 CO 0.07 0.39 0.11 -0.83 0.00 0.00 0.00 175.10 174.84 2nya s GLY 22 N 0.85 1.84 0.11 4.51 0.00 0.99 -2.10 107.32 113.52 2nya s GLY 22 Ca 0.06 -1.07 0.07 0.00 0.00 0.00 0.00 44.72 43.79 2nya s GLY 22 CO 0.03 0.51 -0.11 -0.51 0.00 0.00 0.00 173.10 173.01 2nya s THR 23 N 1.50 3.29 -0.24 0.90 -4.23 0.14 0.04 115.64 117.04 2nya s THR 23 Ca 0.06 -1.31 -0.11 0.00 -1.18 0.00 0.00 61.69 59.15 2nya s THR 23 Cb -0.15 -2.54 0.09 0.00 1.34 0.00 0.00 72.50 71.24 2nya s THR 23 CO 0.06 0.10 0.55 -1.58 -0.54 0.00 0.00 174.62 173.21 2nya s GLN 24 N -2.21 0.52 -1.36 3.99 0.74 -0.01 -0.02 119.66 121.30 2nya s GLN 24 Ca 0.21 1.12 -0.09 0.00 0.05 0.00 0.00 55.36 56.65 2nya s GLN 24 Cb -0.11 0.29 0.01 0.00 1.10 0.00 0.00 33.01 34.30 2nya s GLN 24 CO 0.13 -0.18 1.16 1.04 -0.55 0.00 0.00 175.29 176.89 2nya n GLN 25 N 4.76 -7.77 -1.00 1.67 6.02 -1.26 -1.98 117.38 117.82 2nya n GLN 25 Ca -0.17 0.82 -0.00 0.00 -0.01 0.00 0.00 57.00 57.64 2nya n GLN 25 Cb 0.54 -5.86 -0.00 0.00 1.02 0.00 0.00 30.24 25.93 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 -1.94 0.44 3.38 1.08 0.00 -1.26 -5.03 105.19 101.86 2nya n GLY 26 Ca -0.01 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.24 1.38 -0.25 1.61 0.52 -0.84 -4.52 118.95 116.62 2nya s ARG 27 Ca 0.00 -1.44 -0.21 0.00 -0.52 0.00 0.00 55.73 53.56 2nya s ARG 27 Cb 0.00 -1.62 -0.02 0.00 0.52 0.00 0.00 34.95 33.84 2nya s ARG 27 CO 0.00 0.35 0.68 0.08 0.02 0.00 0.00 175.30 176.43 2nya s VAL 28 N -1.72 4.95 -0.09 3.52 1.01 -1.26 -0.83 120.40 125.97 2nya s VAL 28 Ca 0.17 1.25 0.02 0.00 0.00 0.00 0.00 61.98 63.42 2nya s VAL 28 Cb -0.07 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 2nya s VAL 28 CO 0.08 0.00 0.09 1.33 0.00 0.00 0.00 175.10 176.60 2nya n VAL 29 N 5.19 0.00 -3.75 2.92 0.24 0.11 -4.84 118.33 118.20 2nya n VAL 29 Ca 0.01 -0.37 -0.11 0.00 -2.04 0.00 0.00 64.34 61.83 2nya n VAL 29 Cb 0.49 0.89 -0.07 0.00 -1.47 0.00 0.00 33.84 33.68 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 -1.41 -0.69 -0.28 2.33 0.00 -0.92 -5.01 121.76 115.79 2nya s ALA 30 Ca 0.01 -0.03 -0.21 0.00 0.00 0.00 0.00 51.96 51.72 2nya s ALA 30 Cb 0.02 0.37 0.08 0.00 0.00 0.00 0.00 23.12 23.59 2nya s ALA 30 CO 0.10 -0.45 0.76 0.00 0.00 0.00 0.00 175.76 176.17 2nya s GLN 32 N 0.88 0.92 0.09 0.00 -1.52 0.02 -4.92 119.66 115.12 2nya s GLN 32 Ca -0.04 -1.43 -0.31 0.00 -1.95 0.00 0.00 55.36 51.63 2nya s GLN 32 Cb -0.05 0.13 -0.08 0.00 -0.22 0.00 0.00 33.01 32.79 2nya s GLN 32 CO -0.08 -0.21 1.55 0.20 -0.25 0.00 0.00 175.29 176.49 2nya s GLY 33 N -3.06 1.68 -0.37 3.09 0.00 -1.25 -0.80 107.32 106.61 2nya s GLY 33 Ca 0.22 1.18 -0.28 0.00 0.00 0.00 0.00 44.72 45.83 2nya s GLY 33 CO 0.01 2.68 1.68 -0.35 0.00 0.00 0.00 173.10 177.11 2nya s ASP 34 N 1.81 6.00 0.31 1.64 3.68 -0.73 -4.47 116.67 124.91 2nya s ASP 34 Ca 0.70 1.10 0.08 0.00 2.13 0.00 0.00 52.55 56.56 2nya s ASP 34 Cb -0.39 -2.53 0.87 0.00 -1.45 0.00 0.00 42.92 39.42 2nya s ASP 34 CO 0.31 -1.66 1.67 -0.65 0.13 0.00 0.00 175.17 174.97 2nya h PRO 35 N 12.29 0.32 -0.24 4.34 0.11 -1.89 -1.68 132.00 145.24 2nya h PRO 35 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2nya h PRO 35 Cb 1.15 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2nya h PRO 35 CO 1.06 0.21 0.00 -0.25 -0.21 0.00 0.00 178.00 178.81 2nya n ASP 36 N -5.09 2.28 -4.69 -2.05 8.00 -1.26 -4.07 116.55 109.67 2nya n ASP 36 Ca 0.26 -1.82 -0.42 0.00 0.71 0.00 0.00 54.79 53.51 2nya n ASP 36 Cb 0.79 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.71 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 -1.69 3.43 0.20 2.24 0.00 -0.67 -4.88 121.76 120.40 2nya s ALA 37 Ca 0.34 0.39 0.24 0.00 0.00 0.00 0.00 51.96 52.92 2nya s ALA 37 Cb 0.19 -3.45 1.00 0.00 0.00 0.00 0.00 23.12 20.85 2nya s ALA 37 CO 0.28 -0.65 1.86 -1.35 0.00 0.00 0.00 175.76 175.90 2nya h PRO 38 N 7.16 0.00 0.28 0.00 0.11 -1.87 0.46 132.00 138.14 2nya h PRO 38 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2nya h PRO 38 Cb 1.14 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 2nya h PRO 38 CO 0.87 0.22 -0.36 0.28 -0.21 0.00 0.00 178.00 178.81 2nya h VAL 39 N 0.00 0.27 0.00 3.15 2.07 -1.91 -3.39 116.25 116.43 2nya h VAL 39 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2nya h VAL 39 Cb 0.68 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2nya h VAL 39 CO 0.03 0.00 -0.58 -0.46 0.02 0.00 0.00 177.57 176.58 2nya n ASN 40 N -5.45 2.88 -4.08 0.57 2.04 -1.22 -4.93 115.26 105.07 2nya n ASN 40 Ca -0.09 -0.20 -0.29 0.00 -0.44 0.00 0.00 54.58 53.56 2nya n ASN 40 Cb 0.36 0.98 -0.03 0.00 -2.53 0.00 0.00 39.78 38.56 2nya n ASN 40 CO 0.00 0.00 0.00 -2.11 -0.44 0.00 0.00 177.26 174.71 2nya n ARG 41 N -1.27 -2.90 0.00 -3.83 1.85 0.15 -1.44 116.66 109.21 2nya n ARG 41 Ca 0.00 0.35 0.00 0.00 -1.00 0.00 0.00 57.85 57.20 2nya n ARG 41 Cb 0.00 -4.55 0.00 0.00 -1.05 0.00 0.00 32.46 26.86 2nya n ARG 41 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2nya n GLY 42 N -1.91 1.68 3.92 2.89 0.00 -0.98 -4.72 105.19 106.08 2nya n GLY 42 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 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 2.67 -0.29 0.99 1.43 -0.52 -3.82 118.68 119.13 2nya s LEU 43 Ca 0.00 0.47 -0.22 0.00 -1.03 0.00 0.00 54.13 53.35 2nya s LEU 43 Cb 0.00 -2.86 0.17 0.00 0.03 0.00 0.00 46.19 43.53 2nya s LEU 43 CO 0.00 -2.07 1.25 0.21 0.23 0.00 0.00 176.35 175.96 2nya s ASN 44 N -4.67 -0.21 0.45 2.29 3.84 -1.26 -4.67 114.94 110.70 2nya s ASN 44 Ca 0.65 0.39 0.07 0.00 0.21 0.00 0.00 52.86 54.19 2nya s ASN 44 Cb -0.08 0.61 -0.01 0.00 -0.55 0.00 0.00 41.25 41.21 2nya s ASN 44 CO 0.49 -0.07 0.39 0.00 -2.79 0.00 0.00 177.10 175.12 2nya h ILE 46 N 0.96 0.64 -0.11 0.00 6.09 -1.99 -1.27 117.51 121.84 2nya h ILE 46 Ca -0.40 -0.02 -0.07 0.00 -1.37 0.00 0.00 64.86 63.00 2nya h ILE 46 Cb 1.27 0.59 0.00 0.00 0.47 0.00 0.00 36.82 39.15 2nya h ILE 46 CO 0.57 0.01 -0.21 0.11 -3.07 0.00 0.00 178.15 175.56 2nya h LYS 47 N 0.05 0.34 -0.81 2.19 1.57 -1.92 -2.67 116.57 115.32 2nya h LYS 47 Ca 0.36 -0.22 0.08 0.00 -1.87 0.00 0.00 60.65 59.00 2nya h LYS 47 Cb 1.36 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.63 2nya h LYS 47 CO -0.02 0.81 0.48 0.78 -0.57 0.00 0.00 179.45 180.92 2nya h GLY 48 N -0.09 1.24 0.44 3.86 0.00 -1.76 -1.95 103.07 104.81 2nya h GLY 48 Ca 0.01 -0.33 0.16 0.00 0.00 0.00 0.00 47.33 47.16 2nya h GLY 48 CO 0.05 0.18 0.58 -1.82 0.00 0.00 0.00 176.54 175.53 2nya h TYR 49 N 0.84 0.79 -0.66 5.60 3.20 -1.12 -2.68 116.97 122.94 2nya h TYR 49 Ca 0.37 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.27 2nya h TYR 49 Cb 0.27 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.29 2nya h TYR 49 CO -0.05 0.27 0.00 1.19 -1.64 0.00 0.00 178.16 177.92 2nya n PHE 50 N -4.57 1.51 -0.34 -3.82 0.99 -0.75 -4.54 117.46 105.94 2nya n PHE 50 Ca 0.18 -0.61 0.21 0.00 -0.00 0.00 0.00 57.45 57.24 2nya n PHE 50 Cb 0.52 -0.25 0.46 0.00 -1.00 0.00 0.00 39.48 39.21 2nya n PHE 50 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 2nya h LEU 51 N 4.16 0.54 0.00 4.37 4.07 -1.35 -0.00 115.31 127.10 2nya h LEU 51 Ca 0.00 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.08 2nya h LEU 51 Cb 1.47 0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.25 2nya h LEU 51 CO 0.24 0.06 0.00 -2.65 -1.08 0.00 0.00 178.44 175.00 2nya n PRO 52 N -4.79 0.29 0.00 1.13 -0.02 -1.26 -2.78 135.00 127.57 2nya n PRO 52 Ca 0.27 0.10 0.11 0.00 -2.02 0.00 0.00 63.50 61.96 2nya n PRO 52 Cb 0.86 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.73 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 -1.21 0.26 0.13 -0.52 5.02 -0.02 -4.56 118.16 117.27 2nya n LYS 53 Ca 0.08 -0.07 0.12 0.00 -2.02 0.00 0.00 58.31 56.42 2nya n LYS 53 Cb 0.10 -1.52 0.49 0.00 -0.02 0.00 0.00 35.03 34.09 2nya n LYS 53 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2nya n ILE 54 N -1.82 0.86 0.86 -0.18 -5.35 -1.12 -2.25 119.36 110.36 2nya n ILE 54 Ca 0.01 0.27 0.10 0.00 -0.27 0.00 0.00 62.75 62.86 2nya n ILE 54 Cb 0.43 -1.21 -0.12 0.00 -1.74 0.00 0.00 39.64 37.00 2nya n ILE 54 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 2nya n MET 55 N -2.22 0.40 -0.55 6.28 2.81 -1.26 -4.36 117.12 118.22 2nya n MET 55 Ca 0.02 -0.02 0.04 0.00 -1.81 0.00 0.00 57.70 55.93 2nya n MET 55 Cb 0.21 -1.45 0.20 0.00 -0.71 0.00 0.00 33.22 31.47 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 -1.54 0.46 -0.78 2.03 4.02 -0.95 -4.94 117.16 115.46 2nya n TYR 56 Ca 0.03 -1.37 -0.32 0.00 -0.01 0.00 0.00 57.90 56.23 2nya n TYR 56 Cb 0.33 -0.32 0.11 0.00 -0.02 0.00 0.00 39.34 39.45 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 -1.12 -2.64 0.09 2.72 0.00 -1.24 -4.87 105.19 98.13 2nya n GLY 57 Ca 0.23 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 2nya n GLY 57 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2nya n LYS 58 N -0.22 0.65 -2.26 1.61 2.85 -1.26 -3.42 118.16 116.11 2nya n LYS 58 Ca 0.00 0.23 -0.17 0.00 -1.05 0.00 0.00 58.31 57.32 2nya n LYS 58 Cb 0.63 -1.73 0.03 0.00 -0.65 0.00 0.00 35.03 33.31 2nya n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2nya n ASP 59 N -2.98 3.89 -4.10 -5.58 5.75 -1.26 -5.06 116.55 107.20 2nya n ASP 59 Ca -0.21 -3.23 -0.46 0.00 -0.01 0.00 0.00 54.79 50.88 2nya n ASP 59 Cb 1.08 -0.38 -0.04 0.00 -1.03 0.00 0.00 41.12 40.75 2nya n ASP 59 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2nya n ARG 60 N -0.68 0.00 -2.43 0.11 5.12 -1.22 -4.44 116.66 113.12 2nya n ARG 60 Ca 0.33 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.84 2nya n ARG 60 Cb 0.92 -1.01 -0.04 0.00 -1.16 0.00 0.00 32.46 31.17 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 2.28 4.48 0.00 0.55 2.01 -0.03 -4.94 118.68 123.03 2nya s LEU 61 Ca 0.64 2.20 0.03 0.00 0.01 0.00 0.00 54.13 57.01 2nya s LEU 61 Cb -0.92 -3.61 0.02 0.00 0.01 0.00 0.00 46.19 41.69 2nya s LEU 61 CO 0.52 -0.29 0.59 0.35 1.01 0.00 0.00 176.35 178.53 2nya n THR 62 N 2.23 0.00 -3.64 5.49 -2.24 -1.26 -4.60 114.28 110.27 2nya n THR 62 Ca 0.03 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.22 2nya n THR 62 Cb 0.45 1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.27 0.65 0.15 -0.78 0.74 -1.26 -1.69 119.66 117.20 2nya s GLN 63 Ca 0.04 0.90 -0.34 0.00 0.05 0.00 0.00 55.36 56.01 2nya s GLN 63 Cb 0.03 0.25 -0.14 0.00 1.10 0.00 0.00 33.01 34.25 2nya s GLN 63 CO 0.04 -0.10 1.57 -2.30 -0.55 0.00 0.00 175.29 173.95 2nya n PRO 64 N 3.11 2.09 -4.53 1.67 -0.02 -1.26 -4.52 135.00 131.54 2nya n PRO 64 Ca -0.16 0.75 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 2nya n PRO 64 Cb 0.57 -2.52 -0.15 0.00 -0.02 0.00 0.00 33.50 31.38 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 0.99 2.53 -0.04 2.45 1.43 -0.86 -1.73 118.68 123.44 2nya s LEU 65 Ca 0.80 -0.45 0.03 0.00 -1.03 0.00 0.00 54.13 53.48 2nya s LEU 65 Cb -0.70 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 2nya s LEU 65 CO 0.39 0.09 -0.12 -0.22 0.23 0.00 0.00 176.35 176.72 2nya s LEU 66 N 0.78 2.87 -0.01 1.79 2.96 0.28 -1.07 118.68 126.28 2nya s LEU 66 Ca -0.06 -0.16 -0.30 0.00 -0.22 0.00 0.00 54.13 53.40 2nya s LEU 66 Cb -0.15 -1.61 -0.06 0.00 0.50 0.00 0.00 46.19 44.87 2nya s LEU 66 CO 0.01 0.34 1.51 -0.13 -1.32 0.00 0.00 176.35 176.76 2nya s ARG 67 N -0.85 4.23 -0.02 1.98 0.52 -0.17 -0.41 118.95 124.23 2nya s ARG 67 Ca 0.12 2.08 -0.05 0.00 -0.52 0.00 0.00 55.73 57.36 2nya s ARG 67 Cb -0.11 -3.71 0.01 0.00 0.52 0.00 0.00 34.95 31.66 2nya s ARG 67 CO 0.02 -0.69 0.12 -1.64 0.02 0.00 0.00 175.30 173.12 2nya s MET 68 N 2.98 0.28 -0.13 3.54 -1.94 -1.03 -1.74 119.30 121.26 2nya s MET 68 Ca 0.68 -0.09 -0.04 0.00 -1.71 0.00 0.00 55.69 54.53 2nya s MET 68 Cb -0.33 0.12 0.06 0.00 2.01 0.00 0.00 34.83 36.69 2nya s MET 68 CO 0.28 -0.05 0.15 0.21 -0.01 0.00 0.00 175.02 175.59 2nya s LYS 69 N -0.57 0.07 -0.36 2.03 2.20 0.10 -2.65 119.74 120.57 2nya s LYS 69 Ca -0.06 0.31 -0.01 0.00 -0.36 0.00 0.00 55.97 55.85 2nya s LYS 69 Cb -0.04 -0.89 0.00 0.00 -1.51 0.00 0.00 37.83 35.39 2nya s LYS 69 CO 0.01 -0.48 0.26 0.27 -0.36 0.00 0.00 175.35 175.05 2nya n ASN 70 N 5.31 -2.11 0.00 1.43 6.94 -1.26 -3.43 115.26 122.14 2nya n ASN 70 Ca -0.05 -0.42 0.00 0.00 -0.02 0.00 0.00 54.58 54.09 2nya n ASN 70 Cb 0.50 -0.70 0.00 0.00 -2.36 0.00 0.00 39.78 37.22 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 -0.97 0.74 3.38 4.83 0.00 -1.26 -5.01 105.19 106.92 2nya n GLY 71 Ca -0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.49 1.20 0.31 1.61 -2.85 -1.22 -5.14 119.74 113.16 2nya s LYS 72 Ca 0.00 -0.57 -0.29 0.00 -1.00 0.00 0.00 55.97 54.11 2nya s LYS 72 Cb 0.00 0.54 -0.11 0.00 -2.06 0.00 0.00 37.83 36.21 2nya s LYS 72 CO 0.00 -0.51 1.50 -0.47 0.10 0.00 0.00 175.35 175.98 2nya s TYR 73 N -3.77 2.79 -0.07 1.78 5.04 -1.26 0.03 117.35 121.89 2nya s TYR 73 Ca 0.02 1.00 -0.04 0.00 -2.44 0.00 0.00 57.07 55.61 2nya s TYR 73 Cb 0.00 -3.97 0.03 0.00 0.35 0.00 0.00 41.96 38.38 2nya s TYR 73 CO -0.12 -3.07 0.16 0.34 -1.34 0.00 0.00 175.55 171.52 2nya s ASP 74 N 0.20 -0.14 0.41 4.32 2.15 -0.71 -4.70 116.67 118.20 2nya s ASP 74 Ca 0.58 0.33 0.12 0.00 0.43 0.00 0.00 52.55 54.01 2nya s ASP 74 Cb -0.45 0.25 0.95 0.00 -0.30 0.00 0.00 42.92 43.37 2nya s ASP 74 CO 0.51 -0.12 1.96 0.50 -0.17 0.00 0.00 175.17 177.84 2nya h LYS 75 N 6.87 0.50 -0.18 4.34 3.11 -1.96 -1.07 116.57 128.18 2nya h LYS 75 Ca -0.38 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.43 2nya h LYS 75 Cb 1.16 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.28 2nya h LYS 75 CO 0.41 0.33 0.00 0.39 -2.81 0.00 0.00 179.45 177.77 2nya n GLU 76 N -4.48 2.00 -0.74 1.90 1.02 -1.26 -4.99 120.64 114.09 2nya n GLU 76 Ca 0.11 -1.50 -0.25 0.00 -0.02 0.00 0.00 57.16 55.51 2nya n GLU 76 Cb 0.37 -1.45 0.21 0.00 -0.02 0.00 0.00 31.44 30.56 2nya n GLU 76 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2nya n GLY 77 N 1.27 -2.92 3.59 0.62 0.00 -0.40 -4.99 105.19 102.36 2nya n GLY 77 Ca 0.17 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 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 -4.98 3.84 -0.20 1.61 0.41 -1.08 -4.54 118.70 113.76 2nya s GLU 78 Ca 0.58 -0.40 -0.40 0.00 -0.41 0.00 0.00 54.97 54.34 2nya s GLU 78 Cb -0.06 -3.10 -0.16 0.00 -1.78 0.00 0.00 34.13 29.03 2nya s GLU 78 CO 0.45 0.28 1.66 1.19 -0.49 0.00 0.00 175.26 178.35 2nya n PHE 79 N 3.47 1.93 -4.19 1.61 3.01 -1.26 -2.46 117.46 119.58 2nya n PHE 79 Ca -0.17 0.56 -0.17 0.00 1.01 0.00 0.00 57.45 58.69 2nya n PHE 79 Cb 0.52 -2.43 -0.15 0.00 -0.01 0.00 0.00 39.48 37.42 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 2.90 0.47 0.25 4.37 -1.32 0.45 -4.89 115.64 117.86 2nya s THR 80 Ca 0.96 -0.22 -0.30 0.00 -1.21 0.00 0.00 61.69 60.91 2nya s THR 80 Cb -1.05 -0.42 -0.10 0.00 -1.51 0.00 0.00 72.50 69.41 2nya s THR 80 CO 0.62 0.15 1.49 -2.84 -2.21 0.00 0.00 174.62 171.83 2nya s PRO 81 N 0.08 4.23 0.15 7.08 0.02 -1.26 -0.55 135.00 144.75 2nya s PRO 81 Ca -0.01 2.36 -0.01 0.00 0.02 0.00 0.00 61.00 63.37 2nya s PRO 81 Cb -0.05 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.33 2nya s PRO 81 CO -0.00 -0.49 0.06 0.96 -0.33 0.00 0.00 177.00 177.20 2nya s ILE 82 N 0.16 0.16 0.57 2.83 -4.36 -0.71 -4.92 121.20 114.94 2nya s ILE 82 Ca 0.62 -1.93 -0.08 0.00 -0.26 0.00 0.00 60.65 58.99 2nya s ILE 82 Cb -0.43 -2.14 -0.02 0.00 1.25 0.00 0.00 42.46 41.12 2nya s ILE 82 CO 0.42 -0.39 0.92 0.42 0.24 0.00 0.00 174.94 176.56 2nya s THR 83 N -4.01 4.39 0.21 8.37 -4.23 -1.26 -4.09 115.64 115.02 2nya s THR 83 Ca 0.27 0.38 -0.10 0.00 -1.18 0.00 0.00 61.69 61.06 2nya s THR 83 Cb 0.07 -3.73 0.17 0.00 1.34 0.00 0.00 72.50 70.36 2nya s THR 83 CO 0.04 -0.82 1.69 -0.50 -0.54 0.00 0.00 174.62 174.49 2nya h TRP 84 N -0.13 0.14 -0.58 3.99 4.06 -1.98 0.21 115.95 121.67 2nya h TRP 84 Ca -0.45 0.04 0.12 0.00 2.06 0.00 0.00 58.89 60.65 2nya h TRP 84 Cb 1.22 0.03 -0.11 0.00 -1.00 0.00 0.00 29.16 29.30 2nya h TRP 84 CO 0.57 -0.07 -0.15 -0.44 -3.56 0.00 0.00 178.44 174.79 2nya h ASP 85 N 0.22 -0.57 0.01 -3.49 3.45 -1.99 0.24 116.42 114.30 2nya h ASP 85 Ca 0.32 0.18 -0.16 0.00 0.43 0.00 0.00 57.03 57.79 2nya h ASP 85 Cb 0.49 0.37 -0.01 0.00 -0.56 0.00 0.00 39.33 39.62 2nya h ASP 85 CO -0.43 -0.20 -0.54 1.56 -1.57 0.00 0.00 179.24 178.06 2nya h GLN 86 N -0.01 0.57 -0.57 3.56 4.20 -1.25 -1.45 115.11 120.16 2nya h GLN 86 Ca 0.28 -0.36 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 2nya h GLN 86 Cb 0.43 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 2nya h GLN 86 CO -0.60 0.97 0.17 0.00 -0.67 0.00 0.00 178.83 178.69 2nya h ALA 87 N 0.96 1.22 0.00 3.87 0.00 -0.22 -2.39 119.26 122.70 2nya h ALA 87 Ca 0.01 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 2nya h ALA 87 Cb 1.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2nya h ALA 87 CO 0.10 0.55 -0.83 0.74 0.00 0.00 0.00 179.25 179.81 2nya h PHE 88 N 0.84 0.00 0.10 0.00 0.05 -0.76 -2.40 116.94 114.77 2nya h PHE 88 Ca 0.19 0.00 0.02 0.00 3.82 0.00 0.00 57.97 62.00 2nya h PHE 88 Cb 0.26 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 38.17 2nya h PHE 88 CO 0.02 0.83 -0.30 -0.44 -0.18 0.00 0.00 178.31 178.24 2nya h ASP 89 N 0.00 -0.86 0.22 2.17 3.32 -0.94 0.39 116.42 120.72 2nya h ASP 89 Ca -0.01 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2nya h ASP 89 Cb 1.54 0.33 -0.00 0.00 0.22 0.00 0.00 39.33 41.42 2nya h ASP 89 CO 0.11 -0.39 -0.12 0.58 -1.72 0.00 0.00 179.24 177.70 2nya h VAL 90 N -0.51 0.75 -0.72 -1.35 2.07 -1.50 -0.94 116.25 114.05 2nya h VAL 90 Ca 0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.63 2nya h VAL 90 Cb 0.55 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 2nya h VAL 90 CO -0.19 0.00 0.39 0.24 0.02 0.00 0.00 177.57 178.04 2nya h MET 91 N -0.32 0.67 -0.53 1.57 2.86 -1.44 0.71 114.93 118.46 2nya h MET 91 Ca -0.03 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.63 2nya h MET 91 Cb 0.26 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 2nya h MET 91 CO 0.04 0.45 0.25 1.49 1.06 0.00 0.00 176.91 180.20 2nya h GLU 92 N 0.69 0.47 0.21 1.72 4.81 0.46 -0.39 114.58 122.55 2nya h GLU 92 Ca 0.33 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.53 2nya h GLU 92 Cb 0.27 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2nya h GLU 92 CO -0.22 0.31 -0.10 1.49 -0.73 0.00 0.00 179.01 179.77 2nya h GLU 93 N 0.49 -0.27 -0.23 1.92 4.22 -0.75 -1.29 114.58 118.67 2nya h GLU 93 Ca 0.24 0.02 0.05 0.00 0.08 0.00 0.00 59.36 59.75 2nya h GLU 93 Cb 0.18 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.41 2nya h GLU 93 CO -0.18 0.12 -0.42 0.87 -2.18 0.00 0.00 179.01 177.22 2nya h LYS 94 N -0.77 -0.41 -0.03 1.92 1.79 -0.73 0.32 116.57 118.66 2nya h LYS 94 Ca -0.03 0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.49 2nya h LYS 94 Cb 0.51 0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 31.23 2nya h LYS 94 CO 0.05 -0.28 -0.11 0.74 -1.08 0.00 0.00 179.45 178.77 2nya h PHE 95 N -0.43 -0.27 -0.70 -1.35 0.04 -1.08 -1.75 116.94 111.39 2nya h PHE 95 Ca 0.10 0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.98 2nya h PHE 95 Cb 0.61 0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.84 2nya h PHE 95 CO -0.53 -0.17 0.46 0.87 -0.60 0.00 0.00 178.31 178.35 2nya h LYS 96 N -0.17 0.51 -0.08 1.51 1.57 -0.94 -0.23 116.57 118.74 2nya h LYS 96 Ca 0.05 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 2nya h LYS 96 Cb 0.24 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.44 2nya h LYS 96 CO -0.13 0.34 -0.46 1.15 -0.57 0.00 0.00 179.45 179.78 2nya h THR 97 N 0.53 1.39 -0.34 -0.16 2.02 -0.64 -2.30 112.91 113.40 2nya h THR 97 Ca 0.33 -1.83 0.03 0.00 0.77 0.00 0.00 66.41 65.70 2nya h THR 97 Cb 0.56 2.29 -0.03 0.00 -1.74 0.00 0.00 68.15 69.23 2nya h THR 97 CO -0.11 0.54 0.17 0.00 0.37 0.00 0.00 175.52 176.49 2nya h ALA 98 N 0.44 0.42 -0.21 6.16 0.00 -0.76 -1.10 119.26 124.20 2nya h ALA 98 Ca -0.03 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2nya h ALA 98 Cb 1.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2nya h ALA 98 CO 0.09 -0.21 0.14 -0.07 0.00 0.00 0.00 179.25 179.21 2nya h LEU 99 N 0.34 0.19 -0.36 0.00 3.38 -1.07 -0.53 115.31 117.26 2nya h LEU 99 Ca 0.14 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.92 2nya h LEU 99 Cb 0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2nya h LEU 99 CO -0.10 0.13 -0.78 0.50 0.09 0.00 0.00 178.44 178.28 2nya h LYS 100 N 0.22 0.35 0.00 1.13 3.64 -0.81 -2.83 116.57 118.27 2nya h LYS 100 Ca 0.09 -0.31 -0.37 0.00 -1.27 0.00 0.00 60.65 58.78 2nya h LYS 100 Cb 0.07 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.90 2nya h LYS 100 CO -0.02 0.97 -2.41 0.39 -2.27 0.00 0.00 179.45 176.12 2nya n GLU 101 N -3.79 0.70 0.00 1.90 1.02 -0.47 -4.68 120.64 115.32 2nya n GLU 101 Ca -0.04 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2nya n GLU 101 Cb 0.74 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 2nya n GLU 101 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2nya n LYS 102 N -2.98 2.03 0.00 3.49 5.02 -0.35 -5.10 118.16 120.27 2nya n LYS 102 Ca -0.39 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 55.88 2nya n LYS 102 Cb 1.07 -0.23 0.00 0.00 -0.02 0.00 0.00 35.03 35.84 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 0.30 -2.03 0.39 0.72 0.00 -0.38 -4.44 105.19 99.74 2nya n GLY 103 Ca 0.00 -1.54 0.17 0.00 0.00 0.00 0.00 46.02 44.65 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 0.38 0.00 1.61 0.11 -1.85 -1.48 132.00 130.77 2nya h PRO 104 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2nya h PRO 104 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 2nya h PRO 104 CO 0.00 0.25 0.00 0.93 -0.21 0.00 0.00 178.00 178.97 2nya h GLU 105 N 0.39 0.00 -0.48 1.05 5.08 -1.87 -3.06 114.58 115.69 2nya h GLU 105 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 2nya h GLU 105 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2nya h GLU 105 CO -0.13 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.75 2nya n SER 106 N -2.66 2.66 -4.07 1.42 3.41 -0.56 -4.80 113.62 109.03 2nya n SER 106 Ca -0.00 -1.98 -0.22 0.00 -0.26 0.00 0.00 58.87 56.40 2nya n SER 106 Cb 0.16 -0.32 -0.15 0.00 -0.26 0.00 0.00 64.21 63.64 2nya n SER 106 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2nya s ILE 107 N -1.36 1.03 0.05 -1.33 1.01 -1.16 -0.52 121.20 118.93 2nya s ILE 107 Ca 0.34 -0.52 -0.15 0.00 0.00 0.00 0.00 60.65 60.31 2nya s ILE 107 Cb 0.18 -0.88 0.03 0.00 0.01 0.00 0.00 42.46 41.79 2nya s ILE 107 CO 0.23 0.30 0.35 -0.83 0.00 0.00 0.00 174.94 174.99 2nya s GLY 108 N -0.05 -0.18 0.00 6.18 0.00 0.49 -4.54 107.32 109.22 2nya s GLY 108 Ca 0.00 0.09 0.04 0.00 0.00 0.00 0.00 44.72 44.84 2nya s GLY 108 CO 0.00 -0.15 -0.11 -0.29 0.00 0.00 0.00 173.10 172.56 2nya s MET 109 N -2.68 0.86 -0.29 2.90 1.75 0.15 -1.33 119.30 120.65 2nya s MET 109 Ca -0.04 -0.47 0.02 0.00 -1.25 0.00 0.00 55.69 53.95 2nya s MET 109 Cb -0.00 -0.82 0.07 0.00 2.84 0.00 0.00 34.83 36.91 2nya s MET 109 CO -0.04 0.22 -0.04 0.12 -0.65 0.00 0.00 175.02 174.63 2nya s PHE 110 N -0.43 3.39 0.00 4.11 5.36 -0.58 -2.18 117.98 127.66 2nya s PHE 110 Ca 0.03 -2.40 0.00 0.00 -0.96 0.00 0.00 56.93 53.60 2nya s PHE 110 Cb -0.05 -2.25 0.00 0.00 -0.34 0.00 0.00 43.02 40.38 2nya s PHE 110 CO -0.00 -0.89 0.00 0.41 -1.46 0.00 0.00 175.22 173.28 2nya n GLY 111 N 4.44 2.95 3.19 13.12 0.00 -0.29 -0.52 105.19 128.08 2nya n GLY 111 Ca -0.09 -2.12 -0.13 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.83 -0.25 0.00 1.61 0.15 -1.26 -0.02 113.70 113.11 2nya s SER 112 Ca 0.00 0.38 0.09 0.00 0.70 0.00 0.00 55.95 57.12 2nya s SER 112 Cb 0.00 0.49 0.52 0.00 -1.71 0.00 0.00 66.02 65.32 2nya s SER 112 CO 0.00 -0.22 1.00 0.61 1.20 0.00 0.00 173.24 175.83 2nya n GLY 113 N 2.34 -0.55 0.69 9.45 0.00 -1.26 -1.83 105.19 114.03 2nya n GLY 113 Ca -0.16 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.75 1.41 -1.78 1.61 6.02 -1.26 -0.96 117.38 121.66 2nya n GLN 114 Ca 0.07 -1.54 -0.32 0.00 -0.01 0.00 0.00 57.00 55.20 2nya n GLN 114 Cb 0.03 -1.33 0.03 0.00 1.02 0.00 0.00 30.24 29.99 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 -1.40 3.03 0.47 1.08 0.51 -0.76 -4.97 118.94 116.90 2nya s TRP 115 Ca 0.20 1.47 -0.20 0.00 -2.12 0.00 0.00 56.10 55.46 2nya s TRP 115 Cb 0.14 -2.95 -0.09 0.00 -0.81 0.00 0.00 33.47 29.76 2nya s TRP 115 CO 0.21 -1.20 0.98 0.99 -0.51 0.00 0.00 176.95 177.42 2nya s THR 116 N -2.76 4.27 0.14 2.01 2.01 -1.26 -4.71 115.64 115.34 2nya s THR 116 Ca 0.61 1.33 -0.25 0.00 0.31 0.00 0.00 61.69 63.68 2nya s THR 116 Cb -0.15 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.78 2nya s THR 116 CO 0.46 -0.39 1.61 0.40 -0.69 0.00 0.00 174.62 176.01 2nya h ILE 117 N 1.55 0.28 -0.65 1.82 2.04 -1.71 -0.89 117.51 119.96 2nya h ILE 117 Ca -0.49 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.40 2nya h ILE 117 Cb 1.19 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 2nya h ILE 117 CO 0.60 0.00 0.43 4.11 0.00 0.00 0.00 178.15 183.29 2nya h TRP 118 N -0.35 0.75 -0.45 1.37 0.09 -1.92 0.90 115.95 116.34 2nya h TRP 118 Ca 0.12 0.02 -0.00 0.00 0.09 0.00 0.00 58.89 59.11 2nya h TRP 118 Cb 0.54 -0.25 -0.02 0.00 0.08 0.00 0.00 29.16 29.50 2nya h TRP 118 CO -0.44 0.44 0.26 0.93 0.09 0.00 0.00 178.44 179.73 2nya h GLU 119 N 0.78 0.61 -0.13 0.12 5.08 -1.64 0.17 114.58 119.57 2nya h GLU 119 Ca 0.26 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2nya h GLU 119 Cb 0.05 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2nya h GLU 119 CO -0.07 0.46 0.07 0.78 -1.00 0.00 0.00 179.01 179.26 2nya h GLY 120 N 0.59 0.18 0.93 -3.84 0.00 -0.09 -1.70 103.07 99.14 2nya h GLY 120 Ca 0.16 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.45 2nya h GLY 120 CO -0.03 0.05 0.20 -1.82 0.00 0.00 0.00 176.54 174.94 2nya h TYR 121 N 0.16 0.37 -0.64 5.60 5.03 -0.66 -1.63 116.97 125.19 2nya h TYR 121 Ca 0.05 0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.38 2nya h TYR 121 Cb -0.00 -0.12 -0.03 0.00 1.55 0.00 0.00 36.73 38.13 2nya h TYR 121 CO -0.08 0.22 0.42 0.00 -1.32 0.00 0.00 178.16 177.40 2nya h ALA 122 N 1.14 1.55 -0.24 1.82 0.00 -0.45 -1.50 119.26 121.59 2nya h ALA 122 Ca 0.13 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2nya h ALA 122 Cb -0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2nya h ALA 122 CO -0.06 0.41 -0.37 0.00 0.00 0.00 0.00 179.25 179.24 2nya h ALA 123 N 1.60 0.37 0.10 0.00 0.00 -0.97 -1.11 119.26 119.24 2nya h ALA 123 Ca 0.24 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2nya h ALA 123 Cb -0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2nya h ALA 123 CO -0.05 0.44 -0.05 1.03 0.00 0.00 0.00 179.25 180.62 2nya h SER 124 N 0.38 -0.11 -0.58 0.00 0.87 -0.93 -1.36 113.55 111.82 2nya h SER 124 Ca 0.02 -0.14 0.08 0.00 -1.23 0.00 0.00 61.79 60.53 2nya h SER 124 Cb 0.96 0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 62.88 2nya h SER 124 CO 0.08 0.07 0.22 0.11 -0.53 0.00 0.00 176.83 176.79 2nya h LYS 125 N -0.29 0.39 -0.25 2.24 1.57 -1.19 0.54 116.57 119.58 2nya h LYS 125 Ca -0.01 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2nya h LYS 125 Cb 0.24 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 2nya h LYS 125 CO 0.02 0.26 -0.11 1.25 -0.57 0.00 0.00 179.45 180.30 2nya h LEU 126 N 0.40 -0.38 0.01 2.94 6.46 -0.91 0.70 115.31 124.54 2nya h LEU 126 Ca 0.29 0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 58.14 2nya h LEU 126 Cb 0.33 0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 2nya h LEU 126 CO -0.28 -0.14 -0.01 -0.26 -0.62 0.00 0.00 178.44 177.13 2nya h PHE 127 N -0.08 -0.02 -0.02 1.25 0.04 -0.56 0.12 116.94 117.68 2nya h PHE 127 Ca 0.13 -0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.80 2nya h PHE 127 Cb 0.27 0.01 0.01 0.00 2.20 0.00 0.00 35.95 38.43 2nya h PHE 127 CO -0.29 0.77 -0.36 0.87 -0.60 0.00 0.00 178.31 178.69 2nya h LYS 128 N -0.86 0.28 0.00 1.51 1.57 0.09 0.27 116.57 119.42 2nya h LYS 128 Ca -0.00 -0.28 -0.13 0.00 -1.87 0.00 0.00 60.65 58.37 2nya h LYS 128 Cb 0.79 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 2nya h LYS 128 CO 0.00 0.97 -1.47 0.00 -0.57 0.00 0.00 179.45 178.38 2nya n ALA 129 N -2.54 2.13 -0.02 3.86 0.00 0.10 -3.59 120.51 120.45 2nya n ALA 129 Ca -0.10 -0.53 -0.02 0.00 0.00 0.00 0.00 53.44 52.79 2nya n ALA 129 Cb 0.55 -0.91 -0.01 0.00 0.00 0.00 0.00 19.45 19.08 2nya n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nya n GLY 130 N 1.36 -0.52 0.15 0.00 0.00 -0.40 -4.63 105.19 101.14 2nya n GLY 130 Ca -0.09 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 45.98 2nya n GLY 130 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2nya h PHE 131 N -0.28 0.00 -5.21 1.61 0.05 -0.72 -3.43 116.94 108.96 2nya h PHE 131 Ca 0.00 0.00 -0.34 0.00 3.82 0.00 0.00 57.97 61.45 2nya h PHE 131 Cb 0.26 0.00 0.12 0.00 2.00 0.00 0.00 35.95 38.33 2nya h PHE 131 CO -0.11 0.00 -0.60 0.54 -0.18 0.00 0.00 178.31 177.96 2nya n ARG 132 N -2.54 -6.80 -5.00 1.51 1.74 -0.04 -4.73 116.66 100.80 2nya n ARG 132 Ca 0.05 0.72 -0.27 0.00 -0.77 0.00 0.00 57.85 57.58 2nya n ARG 132 Cb 0.44 -5.44 -0.16 0.00 -1.02 0.00 0.00 32.46 26.28 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 -3.39 2.45 -0.00 0.55 0.15 -0.50 -4.75 113.70 108.20 2nya s SER 133 Ca 0.45 -0.39 0.14 0.00 0.70 0.00 0.00 55.95 56.85 2nya s SER 133 Cb -0.20 -0.45 0.40 0.00 -1.71 0.00 0.00 66.02 64.06 2nya s SER 133 CO 0.63 0.22 1.33 0.59 1.20 0.00 0.00 173.24 177.22 2nya n ASN 134 N 2.79 2.45 -1.78 5.45 3.02 -1.26 -3.52 115.26 122.41 2nya n ASN 134 Ca -0.16 -2.01 -0.04 0.00 -0.03 0.00 0.00 54.58 52.34 2nya n ASN 134 Cb 0.53 -0.31 -0.05 0.00 -0.61 0.00 0.00 39.78 39.34 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 0.82 4.37 -4.46 6.41 5.03 -1.26 -4.06 115.26 122.10 2nya n ASN 135 Ca 0.15 -2.22 -0.35 0.00 0.87 0.00 0.00 54.58 53.03 2nya n ASN 135 Cb 0.39 -1.02 -0.12 0.00 -1.02 0.00 0.00 39.78 38.01 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 0.73 4.11 -0.00 2.41 2.07 -1.26 -0.68 121.20 128.58 2nya s ILE 136 Ca 0.21 -0.26 -0.13 0.00 -1.41 0.00 0.00 60.65 59.06 2nya s ILE 136 Cb 0.10 -2.87 0.02 0.00 0.13 0.00 0.00 42.46 39.84 2nya s ILE 136 CO 0.00 0.41 0.28 -0.62 -1.91 0.00 0.00 174.94 173.10 2nya s ASP 137 N 1.10 -0.15 0.37 4.50 2.15 -0.93 -1.48 116.67 122.24 2nya s ASP 137 Ca 0.03 -0.00 0.08 0.00 0.43 0.00 0.00 52.55 53.09 2nya s ASP 137 Cb -0.14 0.30 -0.03 0.00 -0.30 0.00 0.00 42.92 42.74 2nya s ASP 137 CO 0.02 -0.46 0.27 -2.16 -0.17 0.00 0.00 175.17 172.67 2nya s PRO 138 N -1.51 2.51 0.00 4.34 0.04 -1.17 -1.14 135.00 138.07 2nya s PRO 138 Ca -0.13 -1.51 0.00 0.00 0.04 0.00 0.00 61.00 59.40 2nya s PRO 138 Cb -0.05 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2nya s PRO 138 CO 0.03 -0.03 0.00 0.09 0.04 0.00 0.00 177.00 177.13 2nya n ASN 139 N -1.37 0.00 0.00 6.66 3.02 0.97 -1.62 115.26 122.92 2nya n ASN 139 Ca -0.00 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.62 2nya n ASN 139 Cb 0.61 0.00 0.31 0.00 -0.61 0.00 0.00 39.78 40.10 2nya n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2nya n ALA 140 N -2.54 1.68 0.29 5.41 0.00 -1.26 -0.95 120.51 123.13 2nya n ALA 140 Ca 0.00 -0.05 0.16 0.00 0.00 0.00 0.00 53.44 53.54 2nya n ALA 140 Cb 0.00 -1.22 0.56 0.00 0.00 0.00 0.00 19.45 18.78 2nya n ALA 140 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2nya h ARG 141 N 0.00 0.00 -0.22 0.00 9.65 -1.70 -0.02 114.38 122.08 2nya h ARG 141 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2nya h ARG 141 Cb 0.20 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 2nya h ARG 141 CO 0.00 0.00 0.00 0.72 2.80 0.00 0.00 179.97 183.49 2nya n HIS 142 N -2.99 0.29 0.11 2.20 8.25 -0.13 -4.13 115.22 118.81 2nya n HIS 142 Ca 0.02 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2nya n HIS 142 Cb 0.35 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.46 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 -3.16 2.51 -0.33 0.00 2.81 -0.09 -4.64 117.12 114.21 2nya n MET 144 Ca 0.00 -0.16 0.17 0.00 -1.81 0.00 0.00 57.70 55.90 2nya n MET 144 Cb 0.00 -1.13 0.38 0.00 -0.71 0.00 0.00 33.22 31.75 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 1.96 1.71 -0.39 3.04 0.00 -1.78 0.17 119.26 123.99 2nya h ALA 145 Ca 0.00 0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2nya h ALA 145 Cb 0.34 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2nya h ALA 145 CO 0.00 -0.33 -0.28 0.77 0.00 0.00 0.00 179.25 179.40 2nya h SER 146 N 0.49 0.86 0.00 0.00 0.02 -1.82 -0.73 113.55 112.37 2nya h SER 146 Ca 0.63 -0.34 -0.17 0.00 -0.84 0.00 0.00 61.79 61.07 2nya h SER 146 Cb 1.24 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.54 2nya h SER 146 CO -0.51 1.08 -0.57 0.00 -1.14 0.00 0.00 176.83 175.69 2nya h ALA 147 N 0.97 0.65 0.25 3.77 0.00 -1.07 -1.94 119.26 121.89 2nya h ALA 147 Ca 0.08 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2nya h ALA 147 Cb 0.83 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2nya h ALA 147 CO 0.07 0.69 -0.12 0.28 0.00 0.00 0.00 179.25 180.17 2nya h VAL 148 N 0.45 0.80 -0.73 0.00 2.07 -0.87 0.44 116.25 118.40 2nya h VAL 148 Ca 0.00 -0.51 0.12 0.00 0.82 0.00 0.00 66.70 67.13 2nya h VAL 148 Cb 1.13 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 2nya h VAL 148 CO 0.11 0.11 0.48 0.58 0.02 0.00 0.00 177.57 178.87 2nya h VAL 149 N -0.61 0.86 -0.30 2.57 2.07 -1.19 -1.10 116.25 118.55 2nya h VAL 149 Ca -0.03 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 2nya h VAL 149 Cb 0.44 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2nya h VAL 149 CO 0.06 0.09 -0.00 1.23 0.02 0.00 0.00 177.57 178.97 2nya h GLY 150 N 0.51 0.57 0.78 2.17 0.00 -0.86 -1.05 103.07 105.19 2nya h GLY 150 Ca 0.35 -0.42 0.03 0.00 0.00 0.00 0.00 47.33 47.29 2nya h GLY 150 CO -0.12 0.39 0.13 0.74 0.00 0.00 0.00 176.54 177.68 2nya h PHE 151 N 0.32 0.24 -0.79 5.60 -1.00 -0.46 -0.37 116.94 120.49 2nya h PHE 151 Ca 0.08 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.83 2nya h PHE 151 Cb 0.44 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 39.90 2nya h PHE 151 CO 0.04 0.12 0.29 0.52 -1.61 0.00 0.00 178.31 177.67 2nya h MET 152 N 0.29 1.19 0.19 1.51 2.86 -1.04 1.57 114.93 121.50 2nya h MET 152 Ca 0.14 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2nya h MET 152 Cb 0.09 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.56 2nya h MET 152 CO -0.13 0.98 -0.09 0.00 1.06 0.00 0.00 176.91 178.73 2nya h ARG 153 N 1.16 -0.25 -0.06 1.72 3.08 -1.02 -2.11 114.38 116.91 2nya h ARG 153 Ca 0.26 0.02 -0.23 0.00 0.07 0.00 0.00 59.98 60.10 2nya h ARG 153 Cb 0.25 0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.36 2nya h ARG 153 CO -0.02 0.10 -0.88 1.15 -1.07 0.00 0.00 179.97 179.25 2nya h THR 154 N -0.63 1.33 0.00 2.04 2.02 -0.88 -3.41 112.91 113.38 2nya h THR 154 Ca -0.03 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 64.94 2nya h THR 154 Cb 0.46 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 2nya h THR 154 CO 0.04 0.68 -0.95 0.49 0.37 0.00 0.00 175.52 176.15 2nya n PHE 155 N -3.84 0.00 -0.99 3.16 3.01 0.53 -1.67 117.46 117.65 2nya n PHE 155 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 2nya n PHE 155 Cb 0.80 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.27 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 2.59 0.62 3.15 1.37 0.00 -0.49 -3.13 105.19 109.30 2nya n GLY 156 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.09 0.58 0.68 1.61 -1.94 -1.26 -4.73 119.30 114.16 2nya s MET 157 Ca 0.00 -0.42 -0.11 0.00 -1.71 0.00 0.00 55.69 53.45 2nya s MET 157 Cb 0.00 0.24 0.00 0.00 2.01 0.00 0.00 34.83 37.08 2nya s MET 157 CO 0.00 -0.15 1.07 0.34 -0.01 0.00 0.00 175.02 176.27 2nya s ASP 158 N -1.56 5.62 0.05 3.03 2.15 -1.26 -4.40 116.67 120.30 2nya s ASP 158 Ca -0.12 1.28 0.00 0.00 0.43 0.00 0.00 52.55 54.14 2nya s ASP 158 Cb -0.05 -2.16 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 2nya s ASP 158 CO 0.01 -1.24 0.00 -0.62 -0.17 0.00 0.00 175.17 173.15 2nya n GLU 159 N -2.97 -0.33 -1.28 4.34 1.02 -1.26 -4.98 120.64 115.17 2nya n GLU 159 Ca 0.07 0.26 -0.35 0.00 -0.02 0.00 0.00 57.16 57.11 2nya n GLU 159 Cb 0.56 -0.33 0.09 0.00 -0.02 0.00 0.00 31.44 31.73 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 -1.68 0.38 -0.15 3.49 -0.02 -1.26 -4.97 135.00 130.79 2nya n PRO 160 Ca -0.00 0.18 0.08 0.00 -2.02 0.00 0.00 63.50 61.74 2nya n PRO 160 Cb 0.04 -2.11 0.16 0.00 -0.02 0.00 0.00 33.50 31.57 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 -1.65 2.18 -0.09 -0.52 0.00 -1.26 -4.87 117.12 110.91 2nya n MET 161 Ca 0.12 -1.94 0.00 0.00 0.00 0.00 0.00 57.70 55.88 2nya n MET 161 Cb 0.50 -1.35 0.00 0.00 0.00 0.00 0.00 33.22 32.37 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 0.90 7.03 3.82 3.17 0.00 -1.26 -0.72 105.19 118.13 2nya n GLY 162 Ca 0.13 -2.04 -0.05 0.00 0.00 0.00 0.00 46.02 44.06 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 2.00 0.00 0.00 0.00 0.99 -1.93 -2.02 116.97 116.01 2nya h TYR 164 Ca -0.25 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.48 2nya h TYR 164 Cb 1.24 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.97 2nya h TYR 164 CO 0.79 0.12 0.00 -0.25 -0.00 0.00 0.00 178.16 178.82 2nya n ASP 165 N -3.55 0.00 0.20 3.88 10.43 -1.26 -1.24 116.55 125.01 2nya n ASP 165 Ca -0.01 0.41 0.09 0.00 2.57 0.00 0.00 54.79 57.84 2nya n ASP 165 Cb 0.26 -0.41 0.31 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 0.83 -2.24 3.32 -1.75 -3.31 116.42 113.27 2nya h ASP 166 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2nya h ASP 166 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2nya h ASP 166 CO 0.00 0.25 -0.45 0.40 -1.72 0.00 0.00 179.24 177.72 2nya h ILE 167 N 0.00 0.10 0.00 0.35 2.04 -1.40 -1.49 117.51 117.11 2nya h ILE 167 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2nya h ILE 167 Cb 0.95 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2nya h ILE 167 CO 0.03 0.00 0.00 -1.84 0.00 0.00 0.00 178.15 176.34 2nya n GLU 168 N -5.61 0.86 0.00 2.37 0.00 -1.25 -2.73 120.64 114.29 2nya n GLU 168 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.01 2nya n GLU 168 Cb 0.48 -1.29 0.00 0.00 0.00 0.00 0.00 31.44 30.63 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 -0.12 -0.48 -2.95 3.44 6.02 -0.84 -5.07 117.38 117.38 2nya n GLN 169 Ca 0.00 -0.36 -0.34 0.00 -0.01 0.00 0.00 57.00 56.30 2nya n GLN 169 Cb 0.14 -0.81 -0.07 0.00 1.02 0.00 0.00 30.24 30.53 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 -0.03 3.21 -0.08 -1.58 0.00 -0.62 -4.50 121.76 118.15 2nya s ALA 170 Ca 0.00 0.27 0.08 0.00 0.00 0.00 0.00 51.96 52.31 2nya s ALA 170 Cb 0.00 -2.99 -0.24 0.00 0.00 0.00 0.00 23.12 19.89 2nya s ALA 170 CO 0.00 0.23 0.51 -0.25 0.00 0.00 0.00 175.76 176.25 2nya n ASP 171 N -0.16 1.15 -3.86 0.00 8.00 0.03 -4.92 116.55 116.79 2nya n ASP 171 Ca 0.04 0.31 -0.12 0.00 0.71 0.00 0.00 54.79 55.73 2nya n ASP 171 Cb 0.53 -0.18 -0.12 0.00 -0.02 0.00 0.00 41.12 41.33 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 -2.58 -0.25 -0.10 2.24 0.00 -0.61 -1.10 121.76 119.36 2nya s ALA 172 Ca -0.10 0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.95 2nya s ALA 172 Cb 0.07 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.15 2nya s ALA 172 CO 0.80 -0.12 -0.19 -0.06 0.00 0.00 0.00 175.76 176.20 2nya s PHE 173 N -0.59 2.19 -0.16 0.00 0.40 -0.74 -1.14 117.98 117.93 2nya s PHE 173 Ca -0.07 -0.97 0.01 0.00 -0.60 0.00 0.00 56.93 55.30 2nya s PHE 173 Cb -0.04 -1.52 0.02 0.00 0.51 0.00 0.00 43.02 41.99 2nya s PHE 173 CO 0.00 -0.45 -0.19 0.08 0.70 0.00 0.00 175.22 175.36 2nya s VAL 174 N 0.71 1.94 -0.26 -0.44 1.01 -0.17 0.50 120.40 123.69 2nya s VAL 174 Ca -0.12 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 60.90 2nya s VAL 174 Cb -0.16 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2nya s VAL 174 CO 0.02 0.52 0.12 -0.76 0.00 0.00 0.00 175.10 175.00 2nya s LEU 175 N 1.23 3.70 -0.70 3.92 1.43 -0.41 -0.44 118.68 127.41 2nya s LEU 175 Ca 0.02 -0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 52.99 2nya s LEU 175 Cb -0.13 -2.01 0.21 0.00 0.03 0.00 0.00 46.19 44.29 2nya s LEU 175 CO -0.10 -0.02 2.37 0.79 0.23 0.00 0.00 176.35 179.62 2nya n TRP 176 N 4.87 2.33 0.00 0.29 7.02 0.17 -1.62 117.44 130.49 2nya n TRP 176 Ca -0.15 -2.18 0.00 0.00 -1.02 0.00 0.00 57.50 54.15 2nya n TRP 176 Cb 0.52 -1.30 0.00 0.00 -2.42 0.00 0.00 31.31 28.10 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 0.21 0.67 3.66 6.99 0.00 -0.11 -4.44 105.19 112.18 2nya n GLY 177 Ca 0.52 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.00 3.59 -1.29 4.61 0.00 -1.26 -4.59 121.76 120.82 2nya s ALA 178 Ca 0.00 0.76 -0.10 0.00 0.00 0.00 0.00 51.96 52.62 2nya s ALA 178 Cb 0.00 -3.72 0.15 0.00 0.00 0.00 0.00 23.12 19.55 2nya s ALA 178 CO 0.00 -1.40 1.86 -1.71 0.00 0.00 0.00 175.76 174.51 2nya n ASN 179 N 7.14 4.99 0.19 0.00 4.05 -1.26 -4.79 115.26 125.58 2nya n ASN 179 Ca 0.17 -3.07 0.04 0.00 0.45 0.00 0.00 54.58 52.17 2nya n ASN 179 Cb 0.44 -1.51 0.37 0.00 1.23 0.00 0.00 39.78 40.30 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 5.96 0.00 -0.43 1.20 2.86 -1.93 -0.58 114.93 122.00 2nya h MET 180 Ca 0.40 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 58.13 2nya h MET 180 Cb 0.66 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 2nya h MET 180 CO 1.60 0.38 0.30 0.00 1.06 0.00 0.00 176.91 180.26 2nya h ALA 181 N 1.62 2.13 0.00 6.32 0.00 -1.88 -1.76 119.26 125.69 2nya h ALA 181 Ca -0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.60 2nya h ALA 181 Cb 0.75 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2nya h ALA 181 CO 0.05 -0.23 -2.11 0.39 0.00 0.00 0.00 179.25 177.35 2nya n GLU 182 N -4.46 1.07 -0.00 0.00 1.02 -0.97 -4.44 120.64 112.87 2nya n GLU 182 Ca 0.06 0.04 0.09 0.00 -0.02 0.00 0.00 57.16 57.33 2nya n GLU 182 Cb 0.36 -1.40 -0.12 0.00 -0.02 0.00 0.00 31.44 30.25 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 -2.78 0.78 -2.67 3.49 2.81 -0.26 -4.41 117.12 114.08 2nya n MET 183 Ca -0.30 -0.05 -0.09 0.00 -1.81 0.00 0.00 57.70 55.46 2nya n MET 183 Cb 0.96 -1.40 0.03 0.00 -0.71 0.00 0.00 33.22 32.10 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 -1.64 1.17 -0.33 2.03 8.25 -0.67 -4.77 115.22 119.25 2nya n HIS 184 Ca 0.02 -2.77 0.17 0.00 -0.26 0.00 0.00 57.72 54.88 2nya n HIS 184 Cb 0.35 -0.37 0.40 0.00 1.12 0.00 0.00 29.99 31.49 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 2.98 0.57 -0.24 -0.41 0.11 -1.74 0.19 132.00 133.47 2nya h PRO 185 Ca -0.10 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.86 2nya h PRO 185 Cb 1.18 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2nya h PRO 185 CO 0.49 0.38 -0.32 0.82 -0.21 0.00 0.00 178.00 179.16 2nya h ILE 186 N 0.59 1.32 -0.12 4.15 5.03 -1.93 -0.38 117.51 126.16 2nya h ILE 186 Ca 0.59 -1.51 0.05 0.00 -0.12 0.00 0.00 64.86 63.87 2nya h ILE 186 Cb 1.17 1.72 -0.06 0.00 -3.03 0.00 0.00 36.82 36.62 2nya h ILE 186 CO -0.37 0.47 -0.30 -0.07 -0.68 0.00 0.00 178.15 177.20 2nya h LEU 187 N 0.34 -0.94 -0.48 1.44 3.38 -1.38 -2.21 115.31 115.46 2nya h LEU 187 Ca 0.03 0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.23 2nya h LEU 187 Cb 0.90 0.40 -0.10 0.00 0.09 0.00 0.00 40.66 41.95 2nya h LEU 187 CO 0.07 -0.35 -0.23 -0.25 0.09 0.00 0.00 178.44 177.78 2nya h TRP 188 N -0.38 -0.58 -0.92 1.13 -0.00 -0.88 0.55 115.95 114.88 2nya h TRP 188 Ca 0.09 0.05 0.03 0.00 -0.00 0.00 0.00 58.89 59.07 2nya h TRP 188 Cb 0.53 0.33 -0.05 0.00 -0.00 0.00 0.00 29.16 29.96 2nya h TRP 188 CO -0.39 -0.31 0.60 1.03 -0.00 0.00 0.00 178.44 179.37 2nya h SER 189 N -0.12 1.00 -0.44 2.65 0.87 -1.02 0.64 113.55 117.14 2nya h SER 189 Ca 0.23 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.71 2nya h SER 189 Cb 0.47 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2nya h SER 189 CO -0.56 0.70 0.07 0.03 -0.53 0.00 0.00 176.83 176.54 2nya h ARG 190 N 1.17 0.80 -0.20 2.24 3.08 -0.57 0.50 114.38 121.40 2nya h ARG 190 Ca 0.36 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 2nya h ARG 190 Cb -0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2nya h ARG 190 CO -0.11 0.76 -0.03 0.82 -1.07 0.00 0.00 179.97 180.34 2nya h ILE 191 N 0.76 1.28 -0.71 2.04 2.04 0.13 -2.61 117.51 120.43 2nya h ILE 191 Ca 0.16 -0.97 0.08 0.00 1.00 0.00 0.00 64.86 65.13 2nya h ILE 191 Cb 0.36 1.52 -0.07 0.00 -0.74 0.00 0.00 36.82 37.89 2nya h ILE 191 CO 0.01 0.29 0.37 0.74 0.00 0.00 0.00 178.15 179.56 2nya h THR 192 N 0.10 0.88 -0.35 -0.27 2.02 0.57 0.22 112.91 116.08 2nya h THR 192 Ca 0.05 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 67.05 2nya h THR 192 Cb 0.46 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 2nya h THR 192 CO 0.02 0.12 0.15 0.78 0.37 0.00 0.00 175.52 176.95 2nya h ASN 193 N 0.64 0.20 0.10 4.18 2.35 -0.90 0.07 115.58 122.21 2nya h ASN 193 Ca 0.34 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 2nya h ASN 193 Cb 0.32 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 2nya h ASN 193 CO -0.24 0.15 -0.08 -0.09 -1.65 0.00 0.00 177.43 175.52 2nya h ARG 194 N 0.32 -0.18 0.79 0.81 9.65 -0.86 -1.72 114.38 123.19 2nya h ARG 194 Ca 0.15 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 59.01 2nya h ARG 194 Cb 0.09 0.04 0.01 0.00 -1.39 0.00 0.00 29.97 28.72 2nya h ARG 194 CO -0.13 -0.12 -0.38 -0.09 2.80 0.00 0.00 179.97 182.05 2nya h ARG 195 N -0.18 -1.02 -0.12 0.20 9.65 -0.49 -3.15 114.38 119.27 2nya h ARG 195 Ca -0.00 0.07 0.04 0.00 -1.10 0.00 0.00 59.98 58.98 2nya h ARG 195 Cb 0.16 0.23 -0.00 0.00 -1.39 0.00 0.00 29.97 28.97 2nya h ARG 195 CO -0.01 -0.68 0.17 -0.07 2.80 0.00 0.00 179.97 182.18 2nya h LEU 196 N -1.27 0.00 -2.65 3.80 4.07 -1.01 -1.99 115.31 116.25 2nya h LEU 196 Ca -0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.85 2nya h LEU 196 Cb 0.81 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.55 2nya h LEU 196 CO 0.18 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 176.00 2nya n SER 197 N -3.62 3.85 -3.18 -0.43 3.41 -0.65 -4.87 113.62 108.14 2nya n SER 197 Ca 0.00 -2.00 0.02 0.00 -0.26 0.00 0.00 58.87 56.64 2nya n SER 197 Cb 0.27 -0.43 -0.02 0.00 -0.26 0.00 0.00 64.21 63.77 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 -1.12 -1.20 0.51 4.04 3.84 -0.75 -5.05 114.94 115.21 2nya s ASN 198 Ca 0.47 0.65 0.30 0.00 0.21 0.00 0.00 52.86 54.48 2nya s ASN 198 Cb 0.25 2.00 1.21 0.00 -0.55 0.00 0.00 41.25 44.16 2nya s ASN 198 CO 0.33 -0.27 1.93 0.06 -2.79 0.00 0.00 177.10 176.36 2nya h GLN 199 N 8.03 0.00 -0.02 0.43 3.07 -1.89 -2.84 115.11 121.89 2nya h GLN 199 Ca -0.18 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.56 2nya h GLN 199 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.72 2nya h GLN 199 CO 0.24 0.10 -0.04 0.09 0.09 0.00 0.00 178.83 179.30 2nya n ASN 200 N -3.25 1.64 -4.77 0.06 4.13 -1.26 -4.83 115.26 106.99 2nya n ASN 200 Ca 0.00 -1.48 -0.39 0.00 1.68 0.00 0.00 54.58 54.39 2nya n ASN 200 Cb 0.35 0.03 -0.06 0.00 -1.54 0.00 0.00 39.78 38.56 2nya n ASN 200 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2nya s VAL 201 N -2.08 4.80 0.21 2.41 1.01 -1.07 -4.88 120.40 120.79 2nya s VAL 201 Ca 0.34 1.36 0.09 0.00 0.00 0.00 0.00 61.98 63.77 2nya s VAL 201 Cb 0.21 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2nya s VAL 201 CO 0.36 0.44 -0.09 -0.89 0.00 0.00 0.00 175.10 174.92 2nya s THR 202 N -0.40 3.18 -0.11 3.92 2.01 -0.25 -4.98 115.64 119.01 2nya s THR 202 Ca 0.33 -1.77 -0.02 0.00 0.31 0.00 0.00 61.69 60.54 2nya s THR 202 Cb -0.19 -2.61 0.04 0.00 0.01 0.00 0.00 72.50 69.74 2nya s THR 202 CO 0.19 -0.19 0.00 -0.69 -0.69 0.00 0.00 174.62 173.25 2nya s VAL 203 N -1.89 0.48 -0.14 3.82 1.01 -1.26 -1.79 120.40 120.64 2nya s VAL 203 Ca 0.26 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 2nya s VAL 203 Cb -0.08 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 2nya s VAL 203 CO 0.16 0.15 -0.01 0.00 0.00 0.00 0.00 175.10 175.40 2nya s ALA 204 N 1.92 3.14 -0.18 5.51 0.00 0.18 -0.54 121.76 131.78 2nya s ALA 204 Ca 0.04 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.18 2nya s ALA 204 Cb -0.13 -1.57 0.05 0.00 0.00 0.00 0.00 23.12 21.46 2nya s ALA 204 CO -0.06 0.33 -0.03 0.08 0.00 0.00 0.00 175.76 176.08 2nya s VAL 205 N -0.03 1.03 -0.13 0.00 1.01 0.03 -1.29 120.40 121.02 2nya s VAL 205 Ca 0.02 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 2nya s VAL 205 Cb -0.13 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 2nya s VAL 205 CO 0.02 0.01 0.03 -0.76 0.00 0.00 0.00 175.10 174.41 2nya s LEU 206 N 1.65 3.70 0.19 3.92 1.02 -0.64 -1.13 118.68 127.40 2nya s LEU 206 Ca -0.01 0.13 -0.14 0.00 0.02 0.00 0.00 54.13 54.13 2nya s LEU 206 Cb -0.16 -1.89 0.01 0.00 0.02 0.00 0.00 46.19 44.17 2nya s LEU 206 CO -0.07 0.29 0.44 -0.55 0.02 0.00 0.00 176.35 176.48 2nya s SER 207 N -0.37 -0.13 0.14 2.29 0.15 -0.40 -0.93 113.70 114.45 2nya s SER 207 Ca 0.08 -0.68 0.24 0.00 0.70 0.00 0.00 55.95 56.29 2nya s SER 207 Cb -0.12 0.53 0.30 0.00 -1.71 0.00 0.00 66.02 65.02 2nya s SER 207 CO 0.02 -1.01 1.29 0.74 1.20 0.00 0.00 173.24 175.48 2nya h THR 208 N 2.33 0.00 -3.17 6.45 2.02 -1.85 -2.17 112.91 116.51 2nya h THR 208 Ca -0.29 -0.57 -0.12 0.00 0.77 0.00 0.00 66.41 66.20 2nya h THR 208 Cb 1.25 1.15 -0.19 0.00 -1.74 0.00 0.00 68.15 68.61 2nya h THR 208 CO 0.41 0.00 -0.31 -0.72 0.37 0.00 0.00 175.52 175.27 2nya s TYR 209 N -3.19 -0.12 0.12 3.16 -0.85 -1.26 -4.58 117.35 110.63 2nya s TYR 209 Ca 0.05 0.13 -0.30 0.00 -0.52 0.00 0.00 57.07 56.43 2nya s TYR 209 Cb 0.13 0.07 -0.07 0.00 0.38 0.00 0.00 41.96 42.46 2nya s TYR 209 CO 0.73 -0.40 1.24 -1.14 -1.52 0.00 0.00 175.55 174.46 2nya s GLN 210 N -1.61 4.43 0.00 -3.49 0.74 -1.07 -4.90 119.66 113.75 2nya s GLN 210 Ca -0.12 1.88 0.00 0.00 0.05 0.00 0.00 55.36 57.17 2nya s GLN 210 Cb -0.05 -3.28 0.00 0.00 1.10 0.00 0.00 33.01 30.78 2nya s GLN 210 CO 0.02 -0.22 0.00 -2.39 -0.55 0.00 0.00 175.29 172.15 2nya n HIS 211 N 3.33 -0.09 0.29 1.67 1.44 -1.26 -0.40 115.22 120.19 2nya n HIS 211 Ca 0.07 0.00 0.18 0.00 -2.01 0.00 0.00 57.72 55.97 2nya n HIS 211 Cb 0.45 0.00 0.76 0.00 0.12 0.00 0.00 29.99 31.32 2nya n HIS 211 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2nya h ARG 212 N 0.00 0.00 0.00 -1.40 3.08 -1.95 -2.30 114.38 111.80 2nya h ARG 212 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2nya h ARG 212 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2nya h ARG 212 CO 0.00 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.33 2nya n SER 213 N -3.10 0.31 0.07 7.04 7.64 -1.26 -3.41 113.62 120.91 2nya n SER 213 Ca 0.00 0.55 -0.05 0.00 1.01 0.00 0.00 58.87 60.37 2nya n SER 213 Cb 0.27 -0.62 0.13 0.00 -1.01 0.00 0.00 64.21 62.98 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 0.38 -0.99 1.43 -1.00 -1.81 -3.12 116.94 111.82 2nya h PHE 214 Ca 0.00 -0.13 0.37 0.00 2.81 0.00 0.00 57.97 61.01 2nya h PHE 214 Cb 0.48 -0.07 -0.13 0.00 3.61 0.00 0.00 35.95 39.84 2nya h PHE 214 CO 0.00 0.78 0.60 0.39 -1.61 0.00 0.00 178.31 178.48 2nya n GLU 215 N -3.93 -0.04 -0.11 1.51 -0.58 -1.22 0.15 120.64 116.43 2nya n GLU 215 Ca -0.02 1.06 0.08 0.00 -0.42 0.00 0.00 57.16 57.85 2nya n GLU 215 Cb 0.58 -2.00 0.13 0.00 -0.57 0.00 0.00 31.44 29.58 2nya n GLU 215 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2nya n LEU 216 N -4.52 2.76 -4.67 -4.62 7.94 -1.18 -4.95 117.00 107.75 2nya n LEU 216 Ca 0.32 -1.42 -0.43 0.00 -1.11 0.00 0.00 56.01 53.37 2nya n LEU 216 Cb 1.18 -0.14 -0.02 0.00 0.53 0.00 0.00 43.42 44.97 2nya n LEU 216 CO 0.09 0.59 0.94 0.00 -1.11 0.00 0.00 177.39 177.91 2nya s ALA 217 N -1.19 3.61 0.08 1.96 0.00 0.12 -4.67 121.76 121.68 2nya s ALA 217 Ca 0.25 0.33 -0.15 0.00 0.00 0.00 0.00 51.96 52.39 2nya s ALA 217 Cb 0.15 -3.54 -0.13 0.00 0.00 0.00 0.00 23.12 19.60 2nya s ALA 217 CO 0.21 -0.97 1.33 -0.44 0.00 0.00 0.00 175.76 175.89 2nya h ASP 218 N 7.58 0.77 -4.09 0.00 3.32 -1.12 -3.39 116.42 119.48 2nya h ASP 218 Ca -0.25 -0.56 -0.66 0.00 0.02 0.00 0.00 57.03 55.58 2nya h ASP 218 Cb 1.10 -0.22 -0.39 0.00 0.22 0.00 0.00 39.33 40.04 2nya h ASP 218 CO 0.94 1.19 -0.57 0.21 -1.72 0.00 0.00 179.24 179.30 2nya s ASN 219 N -6.74 4.73 -0.24 6.45 3.04 -0.72 -5.02 114.94 116.44 2nya s ASN 219 Ca -0.12 -2.70 -0.12 0.00 0.04 0.00 0.00 52.86 49.96 2nya s ASN 219 Cb 0.08 -1.71 -0.05 0.00 -1.54 0.00 0.00 41.25 38.03 2nya s ASN 219 CO 0.85 -0.33 0.22 -0.83 -3.04 0.00 0.00 177.10 173.97 2nya s GLY 220 N 0.41 1.98 -0.06 1.21 0.00 -1.26 -0.79 107.32 108.81 2nya s GLY 220 Ca 0.15 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 44.03 2nya s GLY 220 CO -0.03 0.56 -0.11 -0.42 0.00 0.00 0.00 173.10 173.10 2nya s ILE 221 N 1.32 1.06 -0.24 0.90 1.01 -0.28 -4.97 121.20 119.99 2nya s ILE 221 Ca 0.10 -0.45 -0.05 0.00 0.00 0.00 0.00 60.65 60.25 2nya s ILE 221 Cb -0.14 -0.97 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 2nya s ILE 221 CO 0.07 0.34 0.01 -0.63 0.00 0.00 0.00 174.94 174.72 2nya s ILE 222 N 0.62 3.73 0.39 2.92 1.09 -1.26 -1.28 121.20 127.41 2nya s ILE 222 Ca -0.13 -0.45 0.08 0.00 -1.10 0.00 0.00 60.65 59.05 2nya s ILE 222 Cb -0.15 -2.76 -0.06 0.00 -1.06 0.00 0.00 42.46 38.43 2nya s ILE 222 CO 0.03 0.33 0.11 0.72 -0.10 0.00 0.00 174.94 176.03 2nya s PHE 223 N 1.52 2.59 0.34 3.97 -0.12 -0.81 -4.44 117.98 121.02 2nya s PHE 223 Ca 0.05 -0.55 -0.27 0.00 -0.05 0.00 0.00 56.93 56.12 2nya s PHE 223 Cb -0.15 -1.79 -0.09 0.00 -0.63 0.00 0.00 43.02 40.35 2nya s PHE 223 CO -0.00 0.31 1.06 -0.08 -0.05 0.00 0.00 175.22 176.46 2nya s THR 224 N -2.59 3.65 0.21 -4.49 -1.32 -0.73 -4.46 115.64 105.91 2nya s THR 224 Ca 0.38 1.45 -0.32 0.00 -1.21 0.00 0.00 61.69 62.00 2nya s THR 224 Cb 0.03 -3.84 -0.14 0.00 -1.51 0.00 0.00 72.50 67.04 2nya s THR 224 CO 0.21 0.19 1.33 -2.65 -2.21 0.00 0.00 174.62 171.49 2nya n PRO 225 N 0.57 1.71 0.00 7.08 -0.02 -1.26 -2.27 135.00 140.81 2nya n PRO 225 Ca 0.02 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2nya n PRO 225 Cb 0.47 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 2.01 0.00 0.02 -0.52 1.13 -1.26 -4.86 117.38 113.90 2nya n GLN 226 Ca 0.13 0.00 0.06 0.00 -1.94 0.00 0.00 57.00 55.25 2nya n GLN 226 Cb 0.29 -0.35 0.25 0.00 0.11 0.00 0.00 30.24 30.53 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 0.34 0.09 -0.24 1.08 3.41 -0.96 -2.51 113.62 114.83 2nya n SER 227 Ca 0.00 0.53 0.20 0.00 -0.26 0.00 0.00 58.87 59.34 2nya n SER 227 Cb 0.00 -0.54 0.53 0.00 -0.26 0.00 0.00 64.21 63.94 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 0.37 -0.71 4.04 3.04 -1.90 -0.41 116.42 120.85 2nya h ASP 228 Ca 0.00 0.04 0.02 0.00 -3.24 0.00 0.00 57.03 53.85 2nya h ASP 228 Cb 0.17 -0.03 -0.04 0.00 -1.04 0.00 0.00 39.33 38.40 2nya h ASP 228 CO 0.00 0.15 0.47 -0.07 -2.04 0.00 0.00 179.24 177.75 2nya h LEU 229 N 0.37 0.79 0.06 0.15 3.38 -1.89 0.46 115.31 118.63 2nya h LEU 229 Ca 0.47 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.42 2nya h LEU 229 Cb 1.23 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2nya h LEU 229 CO -0.17 0.56 -0.03 0.58 0.09 0.00 0.00 178.44 179.47 2nya h VAL 230 N 0.92 1.14 -0.33 1.22 2.07 -1.31 -1.62 116.25 118.34 2nya h VAL 230 Ca 0.27 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 67.13 2nya h VAL 230 Cb -0.03 1.60 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2nya h VAL 230 CO -0.07 0.17 0.11 0.40 0.02 0.00 0.00 177.57 178.21 2nya h ILE 231 N -0.39 0.90 -0.20 4.57 2.04 -0.93 0.23 117.51 123.73 2nya h ILE 231 Ca -0.01 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.81 2nya h ILE 231 Cb 0.35 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 2nya h ILE 231 CO 0.01 0.05 -0.07 -0.07 0.00 0.00 0.00 178.15 178.07 2nya h LEU 232 N 0.25 -0.26 -0.34 1.44 3.38 -0.03 -0.65 115.31 119.11 2nya h LEU 232 Ca 0.15 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 2nya h LEU 232 Cb 0.13 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2nya h LEU 232 CO -0.16 -0.10 0.21 0.78 0.09 0.00 0.00 178.44 179.26 2nya h ASN 233 N -0.04 0.40 -0.43 -0.43 -0.26 -1.00 -2.96 115.58 110.87 2nya h ASN 233 Ca 0.10 -0.04 0.09 0.00 -0.56 0.00 0.00 56.30 55.89 2nya h ASN 233 Cb 0.19 -0.10 -0.09 0.00 -1.06 0.00 0.00 38.32 37.26 2nya h ASN 233 CO -0.23 0.33 -0.16 0.22 -1.06 0.00 0.00 177.43 176.53 2nya h TYR 234 N 0.45 -0.37 -0.78 1.19 3.20 0.05 -1.42 116.97 119.30 2nya h TYR 234 Ca 0.12 0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.06 2nya h TYR 234 Cb -0.01 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 2nya h TYR 234 CO -0.04 -0.24 0.52 0.82 -1.64 0.00 0.00 178.16 177.57 2nya h ILE 235 N -0.06 1.15 -0.36 1.81 2.04 -1.08 0.85 117.51 121.86 2nya h ILE 235 Ca 0.21 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 2nya h ILE 235 Cb 0.38 0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 2nya h ILE 235 CO -0.48 0.18 0.11 0.00 0.00 0.00 0.00 178.15 177.97 2nya h ALA 236 N 1.53 0.47 -0.11 1.87 0.00 -1.21 -0.74 119.26 121.08 2nya h ALA 236 Ca 0.30 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2nya h ALA 236 Cb -0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 2nya h ALA 236 CO -0.08 0.12 -0.30 -0.97 0.00 0.00 0.00 179.25 178.02 2nya h ASN 237 N 0.43 -0.91 -0.45 0.00 -0.00 -0.64 -2.38 115.58 111.64 2nya h ASN 237 Ca 0.12 0.13 0.09 0.00 -0.00 0.00 0.00 56.30 56.64 2nya h ASN 237 Cb 0.26 0.39 -0.08 0.00 -0.00 0.00 0.00 38.32 38.89 2nya h ASN 237 CO -0.00 -0.34 -0.03 0.22 -0.00 0.00 0.00 177.43 177.27 2nya h TYR 238 N -0.38 -0.09 -0.83 0.67 5.03 -0.50 0.50 116.97 121.37 2nya h TYR 238 Ca 0.09 0.04 0.12 0.00 2.58 0.00 0.00 58.73 61.56 2nya h TYR 238 Cb 0.52 0.11 -0.08 0.00 1.55 0.00 0.00 36.73 38.83 2nya h TYR 238 CO -0.37 -0.13 0.44 0.82 -1.32 0.00 0.00 178.16 177.60 2nya h ILE 239 N 0.07 0.82 0.36 1.81 2.04 -0.84 -0.06 117.51 121.71 2nya h ILE 239 Ca 0.22 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2nya h ILE 239 Cb 0.33 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2nya h ILE 239 CO -0.40 0.13 -0.17 0.40 0.00 0.00 0.00 178.15 178.10 2nya h ILE 240 N 0.69 0.52 -1.39 -0.67 2.04 -0.63 0.19 117.51 118.26 2nya h ILE 240 Ca 0.42 -0.65 0.41 0.00 1.00 0.00 0.00 64.86 66.04 2nya h ILE 240 Cb 0.50 0.79 -0.08 0.00 -0.74 0.00 0.00 36.82 37.29 2nya h ILE 240 CO -0.30 0.10 0.97 -0.61 0.00 0.00 0.00 178.15 178.31 2nya h GLN 241 N -0.91 0.07 -0.65 2.37 5.75 -0.78 0.67 115.11 121.63 2nya h GLN 241 Ca -0.05 -0.00 -0.29 0.00 -0.15 0.00 0.00 58.65 58.16 2nya h GLN 241 Cb 0.53 -0.01 -0.17 0.00 1.07 0.00 0.00 27.48 28.89 2nya h GLN 241 CO 0.08 0.04 0.26 0.09 -2.65 0.00 0.00 178.83 176.65 2nya n ASN 242 N -4.27 3.51 -3.99 -0.69 3.02 -0.05 -4.96 115.26 107.83 2nya n ASN 242 Ca 0.32 -3.54 -0.25 0.00 -0.03 0.00 0.00 54.58 51.07 2nya n ASN 242 Cb 1.43 -0.72 -0.08 0.00 -0.61 0.00 0.00 39.78 39.79 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 -0.89 0.78 -0.74 6.41 0.23 0.23 -4.85 115.26 116.43 2nya n ASN 243 Ca 0.43 -1.05 0.08 0.00 -0.53 0.00 0.00 54.58 53.51 2nya n ASN 243 Cb 1.32 -1.30 0.13 0.00 -2.08 0.00 0.00 39.78 37.85 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 -3.94 2.36 -1.70 -2.53 0.00 0.05 -4.97 120.51 109.78 2nya n ALA 244 Ca -0.27 -0.90 -0.43 0.00 0.00 0.00 0.00 53.44 51.84 2nya n ALA 244 Cb 0.57 -0.55 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 2nya n ALA 244 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2nya n ILE 245 N 0.87 0.21 -2.39 0.00 5.41 -1.25 -4.70 119.36 117.50 2nya n ILE 245 Ca 0.12 -0.04 -0.40 0.00 1.00 0.00 0.00 62.75 63.44 2nya n ILE 245 Cb 0.43 -2.01 -0.03 0.00 -0.71 0.00 0.00 39.64 37.32 2nya n ILE 245 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2nya s ASN 246 N 2.04 5.90 0.15 4.38 3.84 -0.42 -4.87 114.94 125.96 2nya s ASN 246 Ca 0.80 -0.29 -0.16 0.00 0.21 0.00 0.00 52.86 53.41 2nya s ASN 246 Cb -0.52 -2.55 0.02 0.00 -0.55 0.00 0.00 41.25 37.65 2nya s ASN 246 CO 0.36 -2.00 1.81 1.56 -2.79 0.00 0.00 177.10 176.04 2nya h GLN 247 N 11.46 0.55 0.04 0.43 1.08 -1.91 -1.63 115.11 125.13 2nya h GLN 247 Ca -0.23 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 56.93 2nya h GLN 247 Cb 1.08 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 2nya h GLN 247 CO 1.27 0.38 -0.02 0.22 -0.95 0.00 0.00 178.83 179.73 2nya h ASP 248 N 0.56 -0.04 -0.05 1.46 3.58 -1.99 -1.79 116.42 118.16 2nya h ASP 248 Ca 0.15 -0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 2nya h ASP 248 Cb -0.05 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.01 2nya h ASP 248 CO -0.03 0.04 0.03 0.15 -2.88 0.00 0.00 179.24 176.55 2nya h PHE 249 N -0.12 0.06 -0.94 0.28 3.57 -1.93 -2.47 116.94 115.39 2nya h PHE 249 Ca -0.00 0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.75 2nya h PHE 249 Cb 0.10 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.77 2nya h PHE 249 CO -0.05 0.07 0.65 0.35 -2.23 0.00 0.00 178.31 177.10 2nya h PHE 250 N 0.04 0.22 0.11 0.41 3.57 -1.17 -1.30 116.94 118.81 2nya h PHE 250 Ca 0.02 0.01 -0.21 0.00 3.53 0.00 0.00 57.97 61.31 2nya h PHE 250 Cb 0.02 -0.06 0.01 0.00 2.79 0.00 0.00 35.95 38.70 2nya h PHE 250 CO -0.07 0.04 -1.04 0.77 -2.23 0.00 0.00 178.31 175.79 2nya h SER 251 N 0.15 0.37 0.98 0.41 0.02 -0.85 -3.30 113.55 111.32 2nya h SER 251 Ca 0.47 -0.89 -0.12 0.00 -0.84 0.00 0.00 61.79 60.41 2nya h SER 251 Cb 1.60 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 64.00 2nya h SER 251 CO -0.08 1.47 -1.08 0.11 -1.14 0.00 0.00 176.83 176.10 2nya h LYS 252 N -0.43 0.00 0.00 3.45 1.57 -1.46 -3.43 116.57 116.27 2nya h LYS 252 Ca -0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 2nya h LYS 252 Cb 1.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.93 2nya h LYS 252 CO 0.08 0.28 0.00 0.72 -0.57 0.00 0.00 179.45 179.96 2nya n HIS 253 N -2.94 0.00 -4.70 -1.35 8.25 -0.50 -4.86 115.22 109.12 2nya n HIS 253 Ca -0.05 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.18 2nya n HIS 253 Cb 0.76 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.71 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 -0.02 1.19 0.22 1.59 1.01 -1.24 -0.85 120.40 122.30 2nya s VAL 254 Ca 0.00 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.43 2nya s VAL 254 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 2nya s VAL 254 CO 0.00 0.34 0.01 0.20 0.00 0.00 0.00 175.10 175.65 2nya s ASN 255 N -0.24 4.72 -0.08 3.32 0.02 -0.43 -4.88 114.94 117.38 2nya s ASN 255 Ca 0.03 -0.50 0.04 0.00 -1.02 0.00 0.00 52.86 51.41 2nya s ASN 255 Cb -0.07 -0.96 -0.02 0.00 0.02 0.00 0.00 41.25 40.22 2nya s ASN 255 CO -0.00 0.04 -0.19 -0.76 0.02 0.00 0.00 177.10 176.21 2nya s LEU 256 N -3.33 2.42 0.13 0.60 1.43 -1.26 -1.57 118.68 117.10 2nya s LEU 256 Ca 0.29 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 2nya s LEU 256 Cb -0.08 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 2nya s LEU 256 CO 0.20 0.25 -0.10 -0.13 0.23 0.00 0.00 176.35 176.79 2nya s ARG 257 N -0.15 1.02 -0.15 1.70 0.52 -0.36 -0.40 118.95 121.11 2nya s ARG 257 Ca -0.02 -1.38 -0.03 0.00 -0.52 0.00 0.00 55.73 53.78 2nya s ARG 257 Cb -0.14 -0.63 -0.02 0.00 0.52 0.00 0.00 34.95 34.68 2nya s ARG 257 CO 0.04 0.08 -0.07 0.21 0.02 0.00 0.00 175.30 175.58 2nya s LYS 258 N -3.47 3.56 0.30 3.54 2.20 0.25 -1.28 119.74 124.84 2nya s LYS 258 Ca 0.14 -0.58 -0.07 0.00 -0.36 0.00 0.00 55.97 55.09 2nya s LYS 258 Cb 0.01 -2.83 -0.06 0.00 -1.51 0.00 0.00 37.83 33.44 2nya s LYS 258 CO 0.01 0.20 0.60 0.20 -0.36 0.00 0.00 175.35 176.00 2nya s GLY 259 N 0.44 1.98 0.34 5.54 0.00 -0.95 -1.35 107.32 113.32 2nya s GLY 259 Ca -0.06 -0.41 -0.28 0.00 0.00 0.00 0.00 44.72 43.98 2nya s GLY 259 CO 0.03 -0.27 1.16 0.00 0.00 0.00 0.00 173.10 174.02 2nya s ALA 260 N -2.08 3.32 0.50 3.20 0.00 0.59 -4.91 121.76 122.38 2nya s ALA 260 Ca 0.46 0.98 0.04 0.00 0.00 0.00 0.00 51.96 53.45 2nya s ALA 260 Cb -0.11 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 2nya s ALA 260 CO 0.28 -0.38 0.18 0.95 0.00 0.00 0.00 175.76 176.78 2nya s THR 261 N -1.27 1.62 -0.98 0.00 -4.23 -1.26 -4.84 115.64 104.67 2nya s THR 261 Ca 0.50 -1.76 -0.04 0.00 -1.18 0.00 0.00 61.69 59.21 2nya s THR 261 Cb -0.32 -2.38 -0.05 0.00 1.34 0.00 0.00 72.50 71.09 2nya s THR 261 CO 0.42 0.00 0.85 -0.67 -0.54 0.00 0.00 174.62 174.68 2nya n ASP 262 N -1.41 -5.16 -1.17 3.99 -0.08 -1.26 -4.25 116.55 107.21 2nya n ASP 262 Ca -0.09 -0.62 0.12 0.00 -1.51 0.00 0.00 54.79 52.69 2nya n ASP 262 Cb 0.66 -4.73 0.23 0.00 2.34 0.00 0.00 41.12 39.61 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 -3.25 0.55 -4.18 5.18 -5.35 -1.26 -1.22 119.36 109.82 2nya n ILE 263 Ca -0.11 -0.76 0.00 0.00 -0.27 0.00 0.00 62.75 61.60 2nya n ILE 263 Cb 0.62 0.91 0.00 0.00 -1.74 0.00 0.00 39.64 39.43 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 1.52 -1.33 2.08 3.28 0.00 -1.26 -0.42 105.19 109.07 2nya n GLY 264 Ca 0.20 -1.26 0.02 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.12 0.46 -3.72 1.61 4.02 -1.26 -4.64 117.16 113.51 2nya n TYR 265 Ca 0.00 -1.23 -0.28 0.00 -0.01 0.00 0.00 57.90 56.39 2nya n TYR 265 Cb 0.00 -0.10 -0.03 0.00 -0.02 0.00 0.00 39.34 39.19 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 -0.04 -0.46 4.00 2.72 0.00 -1.24 -1.75 105.19 108.42 2nya n GLY 266 Ca 0.04 0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 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 -6.61 3.30 0.27 0.99 1.43 -1.26 -4.11 118.68 112.69 2nya s LEU 267 Ca 0.53 -0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 53.01 2nya s LEU 267 Cb -0.29 -2.46 -0.13 0.00 0.03 0.00 0.00 46.19 43.33 2nya s LEU 267 CO 0.65 -1.20 1.38 0.54 0.23 0.00 0.00 176.35 177.95 2nya n ARG 268 N -2.28 2.10 0.12 1.70 1.74 -1.26 -4.87 116.66 113.90 2nya n ARG 268 Ca 0.10 0.74 0.18 0.00 -0.77 0.00 0.00 57.85 58.11 2nya n ARG 268 Cb 0.60 -2.38 0.74 0.00 -1.02 0.00 0.00 32.46 30.40 2nya n ARG 268 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2nya h PRO 269 N 3.74 0.00 0.00 5.56 0.13 -1.98 0.72 132.00 140.18 2nya h PRO 269 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2nya h PRO 269 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2nya h PRO 269 CO 0.72 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.28 2nya h THR 270 N 0.00 0.00 -3.82 1.56 1.35 -1.98 -3.35 112.91 106.68 2nya h THR 270 Ca 0.15 -0.04 -0.49 0.00 -0.55 0.00 0.00 66.41 65.49 2nya h THR 270 Cb 0.71 0.58 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 2nya h THR 270 CO -0.00 0.00 0.40 -2.28 -0.25 0.00 0.00 175.52 173.39 2nya s HIS 271 N -3.55 3.71 0.34 4.73 5.04 0.25 -4.83 115.29 120.98 2nya s HIS 271 Ca -0.02 1.79 0.14 0.00 -1.54 0.00 0.00 55.06 55.43 2nya s HIS 271 Cb 0.07 -3.10 1.08 0.00 0.04 0.00 0.00 32.58 30.67 2nya s HIS 271 CO 0.24 -0.06 1.64 -1.35 -2.34 0.00 0.00 174.74 172.86 2nya h PRO 272 N 3.69 0.21 0.00 2.88 0.11 -1.89 0.15 132.00 137.15 2nya h PRO 272 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2nya h PRO 272 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2nya h PRO 272 CO 0.66 0.14 0.00 -0.07 -0.21 0.00 0.00 178.00 178.52 2nya h LEU 273 N 0.22 0.00 0.06 2.35 3.38 -1.94 -0.87 115.31 118.51 2nya h LEU 273 Ca 0.73 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.43 2nya h LEU 273 Cb 1.71 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.44 2nya h LEU 273 CO -0.67 0.00 -1.43 -0.33 0.09 0.00 0.00 178.44 176.10 2nya h GLU 274 N 0.00 0.13 -0.67 1.13 4.39 -1.01 -3.00 114.58 115.55 2nya h GLU 274 Ca 0.00 -0.22 0.13 0.00 0.34 0.00 0.00 59.36 59.61 2nya h GLU 274 Cb 0.64 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.33 2nya h GLU 274 CO 0.00 1.11 0.45 0.87 -1.16 0.00 0.00 179.01 180.28 2nya h LYS 275 N -0.55 0.33 0.00 2.33 1.57 -1.29 -2.03 116.57 116.93 2nya h LYS 275 Ca -0.34 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 2nya h LYS 275 Cb 1.60 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.83 2nya h LYS 275 CO -0.06 0.22 -0.24 0.00 -0.57 0.00 0.00 179.45 178.80 2nya n ALA 276 N -2.54 2.72 -1.77 3.86 0.00 -0.34 -4.89 120.51 117.55 2nya n ALA 276 Ca 0.12 -0.17 -0.40 0.00 0.00 0.00 0.00 53.44 53.00 2nya n ALA 276 Cb 0.50 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 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 -3.06 3.30 -0.14 0.00 0.00 -0.77 -4.95 121.76 116.15 2nya s ALA 277 Ca 0.11 1.22 -0.14 0.00 0.00 0.00 0.00 51.96 53.14 2nya s ALA 277 Cb 0.16 -3.48 -0.24 0.00 0.00 0.00 0.00 23.12 19.56 2nya s ALA 277 CO 0.62 -0.76 0.38 -0.22 0.00 0.00 0.00 175.76 175.78 2nya h LYS 278 N 2.81 0.18 -1.71 0.00 3.64 -1.73 -3.43 116.57 116.33 2nya h LYS 278 Ca -0.49 -0.31 -0.51 0.00 -1.27 0.00 0.00 60.65 58.07 2nya h LYS 278 Cb 1.24 0.11 -0.41 0.00 -0.41 0.00 0.00 32.23 32.77 2nya h LYS 278 CO 0.63 1.15 -0.93 0.09 -2.27 0.00 0.00 179.45 178.11 2nya n ASN 279 N -3.91 2.92 -4.57 4.20 4.13 -0.36 -5.05 115.26 112.63 2nya n ASN 279 Ca -0.30 -3.29 -0.44 0.00 1.68 0.00 0.00 54.58 52.23 2nya n ASN 279 Cb 0.89 -0.54 -0.04 0.00 -1.54 0.00 0.00 39.78 38.55 2nya n ASN 279 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2nya n PRO 280 N -0.14 1.75 -1.02 3.52 -0.04 -1.26 -1.28 135.00 136.55 2nya n PRO 280 Ca 0.26 0.46 -0.01 0.00 -0.04 0.00 0.00 63.50 64.18 2nya n PRO 280 Cb 0.63 -3.10 -0.00 0.00 -0.04 0.00 0.00 33.50 30.98 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 5.94 0.47 3.74 0.55 0.00 0.44 -4.99 105.19 111.34 2nya n GLY 281 Ca 0.32 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.50 6.82 -0.22 1.61 1.04 -0.40 -4.74 113.70 115.32 2nya s SER 282 Ca 0.00 0.98 0.14 0.00 0.48 0.00 0.00 55.95 57.55 2nya s SER 282 Cb 0.00 -2.33 0.79 0.00 0.10 0.00 0.00 66.02 64.58 2nya s SER 282 CO 0.00 0.01 1.70 -0.90 0.98 0.00 0.00 173.24 175.03 2nya n ASP 283 N 3.40 5.50 -4.78 7.02 5.75 -1.26 -4.73 116.55 127.44 2nya n ASP 283 Ca -0.06 -2.86 -0.34 0.00 -0.01 0.00 0.00 54.79 51.52 2nya n ASP 283 Cb 0.51 -0.67 0.01 0.00 -1.03 0.00 0.00 41.12 39.94 2nya n ASP 283 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2nya s ALA 284 N -2.63 2.67 0.06 2.12 0.00 -1.26 -4.81 121.76 117.90 2nya s ALA 284 Ca 0.52 0.66 -0.20 0.00 0.00 0.00 0.00 51.96 52.94 2nya s ALA 284 Cb 0.39 -3.31 0.04 0.00 0.00 0.00 0.00 23.12 20.24 2nya s ALA 284 CO 0.16 -0.84 0.46 -1.54 0.00 0.00 0.00 175.76 174.00 2nya s SER 285 N -2.16 -0.35 0.07 0.00 1.04 -1.26 -0.30 113.70 110.75 2nya s SER 285 Ca 0.69 0.04 0.06 0.00 0.48 0.00 0.00 55.95 57.22 2nya s SER 285 Cb -0.21 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 2nya s SER 285 CO 0.31 -0.71 -0.17 -1.61 0.98 0.00 0.00 173.24 172.04 2nya s GLU 286 N -2.62 1.00 0.51 4.02 0.41 -0.46 -4.91 118.70 116.66 2nya s GLU 286 Ca -0.04 -0.99 -0.21 0.00 -0.41 0.00 0.00 54.97 53.32 2nya s GLU 286 Cb -0.00 -1.11 -0.08 0.00 -1.78 0.00 0.00 34.13 31.16 2nya s GLU 286 CO -0.03 0.26 0.90 -2.30 -0.49 0.00 0.00 175.26 173.60 2nya n PRO 287 N 1.39 1.03 -4.16 0.39 -0.02 -1.26 0.85 135.00 133.22 2nya n PRO 287 Ca -0.20 0.38 -0.16 0.00 -2.02 0.00 0.00 63.50 61.51 2nya n PRO 287 Cb 0.54 -2.02 -0.14 0.00 -0.02 0.00 0.00 33.50 31.86 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 -2.28 0.46 0.62 -0.52 1.75 0.46 -4.61 119.30 115.18 2nya s MET 288 Ca 0.69 -0.25 -0.15 0.00 -1.25 0.00 0.00 55.69 54.72 2nya s MET 288 Cb -0.49 -0.42 -0.02 0.00 2.84 0.00 0.00 34.83 36.74 2nya s MET 288 CO 0.53 0.11 1.07 -1.54 -0.65 0.00 0.00 175.02 174.54 2nya s SER 289 N -0.28 5.58 0.22 1.11 1.04 -1.26 -4.53 113.70 115.59 2nya s SER 289 Ca 0.01 1.83 -0.08 0.00 0.48 0.00 0.00 55.95 58.18 2nya s SER 289 Cb -0.03 -2.53 0.30 0.00 0.10 0.00 0.00 66.02 63.86 2nya s SER 289 CO -0.00 -1.30 1.78 0.15 0.98 0.00 0.00 173.24 174.84 2nya h PHE 290 N 0.19 0.59 -0.01 5.02 3.57 -2.00 -1.97 116.94 122.33 2nya h PHE 290 Ca -0.46 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 60.93 2nya h PHE 290 Cb 1.22 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 2nya h PHE 290 CO 0.58 0.22 -0.63 1.05 -2.23 0.00 0.00 178.31 177.30 2nya h GLU 291 N 0.57 0.05 -0.40 1.11 -0.00 -1.98 -0.50 114.58 113.42 2nya h GLU 291 Ca 0.33 -0.03 0.07 0.00 -0.00 0.00 0.00 59.36 59.72 2nya h GLU 291 Cb 0.33 0.01 -0.06 0.00 -0.00 0.00 0.00 28.75 29.02 2nya h GLU 291 CO -0.25 0.66 0.02 -0.44 -0.00 0.00 0.00 179.01 179.00 2nya h ASP 292 N 0.03 -0.13 0.09 3.06 3.32 -1.84 0.79 116.42 121.74 2nya h ASP 292 Ca -0.01 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 2nya h ASP 292 Cb 1.13 0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2nya h ASP 292 CO 0.09 -0.03 -0.04 0.22 -1.72 0.00 0.00 179.24 177.75 2nya h TYR 293 N 0.13 -0.11 -0.88 4.55 3.20 -0.75 -0.22 116.97 122.88 2nya h TYR 293 Ca 0.20 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.14 2nya h TYR 293 Cb 0.27 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.51 2nya h TYR 293 CO -0.25 0.12 0.54 -0.22 -1.64 0.00 0.00 178.16 176.71 2nya h LYS 294 N -0.34 0.91 -0.65 1.82 3.64 -0.97 0.18 116.57 121.17 2nya h LYS 294 Ca -0.01 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2nya h LYS 294 Cb 0.28 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 2nya h LYS 294 CO 0.02 0.61 0.32 0.00 -2.27 0.00 0.00 179.45 178.12 2nya h ALA 295 N 1.44 0.84 -0.38 5.00 0.00 -0.73 -1.99 119.26 123.44 2nya h ALA 295 Ca 0.40 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2nya h ALA 295 Cb 0.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2nya h ALA 295 CO -0.20 0.40 0.23 0.35 0.00 0.00 0.00 179.25 180.03 2nya h PHE 296 N 0.90 0.43 0.00 0.00 3.57 0.11 -2.87 116.94 119.08 2nya h PHE 296 Ca 0.22 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.74 2nya h PHE 296 Cb 0.11 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.72 2nya h PHE 296 CO 0.00 0.25 -0.50 -0.39 -2.23 0.00 0.00 178.31 175.44 2nya h VAL 297 N 0.46 0.00 -0.24 1.41 -1.51 -1.00 -3.19 116.25 112.18 2nya h VAL 297 Ca 0.15 -0.83 0.07 0.00 -1.23 0.00 0.00 66.70 64.85 2nya h VAL 297 Cb -0.00 1.56 -0.01 0.00 -2.13 0.00 0.00 31.29 30.71 2nya h VAL 297 CO -0.07 0.00 0.22 0.00 -1.23 0.00 0.00 177.57 176.49 2nya h ALA 298 N 2.17 1.99 -0.51 5.19 0.00 -1.12 0.90 119.26 127.88 2nya h ALA 298 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2nya h ALA 298 Cb 0.92 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2nya h ALA 298 CO 0.00 -0.34 0.34 0.93 0.00 0.00 0.00 179.25 180.18 2nya h GLU 299 N 0.00 0.43 -5.09 0.00 4.39 -1.56 -3.34 114.58 109.40 2nya h GLU 299 Ca 0.11 -0.03 -0.70 0.00 0.34 0.00 0.00 59.36 59.09 2nya h GLU 299 Cb 0.54 -0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 29.01 2nya h GLU 299 CO -0.00 0.28 2.28 0.66 -1.16 0.00 0.00 179.01 181.07 2nya n TYR 300 N -4.47 4.34 -3.02 4.33 4.01 0.31 -4.94 117.16 117.71 2nya n TYR 300 Ca 0.07 -2.95 -0.37 0.00 -0.16 0.00 0.00 57.90 54.48 2nya n TYR 300 Cb 0.25 -2.50 -0.06 0.00 -0.31 0.00 0.00 39.34 36.72 2nya n TYR 300 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2nya s THR 301 N 3.30 4.46 0.20 -0.72 -4.23 -1.26 -4.42 115.64 112.96 2nya s THR 301 Ca 0.50 1.49 -0.06 0.00 -1.18 0.00 0.00 61.69 62.44 2nya s THR 301 Cb 0.06 -3.97 0.32 0.00 1.34 0.00 0.00 72.50 70.25 2nya s THR 301 CO 0.02 0.30 1.09 -0.11 -0.54 0.00 0.00 174.62 175.39 2nya n LEU 302 N 0.99 -0.25 0.09 4.79 7.94 -1.26 -0.54 117.00 128.76 2nya n LEU 302 Ca -0.03 1.20 -0.13 0.00 -1.11 0.00 0.00 56.01 55.94 2nya n LEU 302 Cb 0.50 -0.36 -0.07 0.00 0.53 0.00 0.00 43.42 44.02 2nya n LEU 302 CO 0.44 -1.15 0.84 1.05 -1.11 0.00 0.00 177.39 177.45 2nya h GLU 303 N 0.00 -0.13 -0.61 1.96 9.09 -1.99 -0.98 114.58 121.92 2nya h GLU 303 Ca 0.33 0.01 -0.02 0.00 0.05 0.00 0.00 59.36 59.73 2nya h GLU 303 Cb 0.51 0.03 -0.03 0.00 -1.65 0.00 0.00 28.75 27.61 2nya h GLU 303 CO -0.72 -0.08 0.30 -0.22 0.05 0.00 0.00 179.01 178.34 2nya h LYS 304 N -0.14 0.87 -0.07 1.06 3.64 -1.44 -2.65 116.57 117.84 2nya h LYS 304 Ca -0.01 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.27 2nya h LYS 304 Cb 0.11 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 2nya h LYS 304 CO 0.02 0.69 -0.10 1.15 -2.27 0.00 0.00 179.45 178.95 2nya h THR 305 N 0.83 0.73 -0.78 1.00 2.02 -0.68 0.18 112.91 116.21 2nya h THR 305 Ca 0.21 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.49 2nya h THR 305 Cb 0.10 0.73 -0.08 0.00 -1.74 0.00 0.00 68.15 67.16 2nya h THR 305 CO -0.03 0.00 0.41 0.00 0.37 0.00 0.00 175.52 176.27 2nya h ALA 306 N 0.91 1.11 -0.05 6.16 0.00 -1.03 -2.23 119.26 124.13 2nya h ALA 306 Ca 0.06 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2nya h ALA 306 Cb 0.22 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2nya h ALA 306 CO -0.16 -0.01 -0.04 1.49 0.00 0.00 0.00 179.25 180.54 2nya h GLU 307 N 0.67 0.12 0.00 0.00 4.81 -1.07 -1.92 114.58 117.19 2nya h GLU 307 Ca 0.39 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 2nya h GLU 307 Cb 0.43 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2nya h GLU 307 CO -0.28 0.54 0.00 0.52 -0.73 0.00 0.00 179.01 179.06 2nya h MET 308 N -0.30 0.00 0.00 1.92 2.86 -0.17 -3.16 114.93 116.07 2nya h MET 308 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2nya h MET 308 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2nya h MET 308 CO 0.01 0.00 -0.49 0.25 1.06 0.00 0.00 176.91 177.74 2nya n THR 309 N -2.46 0.00 -1.15 2.22 -2.24 -0.88 -4.75 114.28 105.02 2nya n THR 309 Ca 0.01 -0.30 -0.05 0.00 -2.27 0.00 0.00 64.05 61.45 2nya n THR 309 Cb 0.23 0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 69.23 2nya n THR 309 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nya n GLY 310 N 1.55 0.66 3.65 3.38 0.00 -0.73 -1.78 105.19 111.92 2nya n GLY 310 Ca 0.00 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 2nya n GLY 310 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nya s VAL 311 N -1.83 4.60 0.32 1.61 0.11 -1.20 -4.95 120.40 119.05 2nya s VAL 311 Ca 0.00 -0.11 -0.28 0.00 -2.93 0.00 0.00 61.98 58.66 2nya s VAL 311 Cb 0.00 -3.02 -0.13 0.00 -1.53 0.00 0.00 36.38 31.69 2nya s VAL 311 CO 0.00 0.52 1.11 -2.65 -3.33 0.00 0.00 175.10 170.75 2nya n PRO 312 N 3.05 1.64 -0.20 1.54 -0.02 -1.26 -4.49 135.00 135.26 2nya n PRO 312 Ca -0.17 0.58 0.06 0.00 -2.02 0.00 0.00 63.50 61.94 2nya n PRO 312 Cb 0.53 -2.03 0.34 0.00 -0.02 0.00 0.00 33.50 32.32 2nya n PRO 312 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2nya h LYS 313 N 2.17 0.76 0.09 -0.52 1.63 -1.94 -2.12 116.57 116.64 2nya h LYS 313 Ca -0.42 -0.05 -0.25 0.00 -0.85 0.00 0.00 60.65 59.08 2nya h LYS 313 Cb 1.32 -0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 32.78 2nya h LYS 313 CO 0.61 0.50 -1.14 0.38 -3.45 0.00 0.00 179.45 176.35 2nya h ASP 314 N 0.78 0.39 -0.67 4.20 2.03 -1.99 -2.27 116.42 118.89 2nya h ASP 314 Ca 0.33 -0.39 -0.05 0.00 -0.73 0.00 0.00 57.03 56.19 2nya h ASP 314 Cb 0.27 -0.12 -0.03 0.00 -0.83 0.00 0.00 39.33 38.62 2nya h ASP 314 CO -0.11 1.27 0.23 1.56 -1.03 0.00 0.00 179.24 181.16 2nya h GLN 315 N 0.09 1.02 -0.90 4.15 4.20 -1.84 0.20 115.11 122.03 2nya h GLN 315 Ca -0.11 -0.21 0.02 0.00 0.06 0.00 0.00 58.65 58.42 2nya h GLN 315 Cb 1.85 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 29.43 2nya h GLN 315 CO 0.18 0.88 0.60 -0.07 -0.67 0.00 0.00 178.83 179.74 2nya h LEU 316 N 0.96 1.02 -0.28 1.46 3.38 -1.29 -2.01 115.31 118.54 2nya h LEU 316 Ca 0.22 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 2nya h LEU 316 Cb 0.26 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2nya h LEU 316 CO -0.01 0.72 -0.16 -0.33 0.09 0.00 0.00 178.44 178.75 2nya h GLU 317 N 1.19 0.61 -0.84 1.13 5.08 -1.15 -1.99 114.58 118.62 2nya h GLU 317 Ca 0.34 -0.27 0.13 0.00 -1.00 0.00 0.00 59.36 58.56 2nya h GLU 317 Cb -0.09 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.06 2nya h GLU 317 CO -0.09 0.85 0.44 1.96 -1.00 0.00 0.00 179.01 181.18 2nya h GLN 318 N 0.35 0.64 -0.08 2.33 4.20 -0.47 -1.44 115.11 120.64 2nya h GLN 318 Ca 0.06 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2nya h GLN 318 Cb 0.68 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 2nya h GLN 318 CO 0.05 0.42 0.01 1.25 -0.67 0.00 0.00 178.83 179.89 2nya h LEU 319 N 0.66 0.14 -1.16 1.46 7.12 -1.22 -2.99 115.31 119.31 2nya h LEU 319 Ca 0.45 -0.29 -0.05 0.00 0.13 0.00 0.00 57.88 58.12 2nya h LEU 319 Cb 0.58 -0.04 -0.01 0.00 -0.53 0.00 0.00 40.66 40.67 2nya h LEU 319 CO -0.33 0.39 -0.23 0.00 -0.13 0.00 0.00 178.44 178.14 2nya h ALA 320 N 0.75 1.04 -0.07 1.25 0.00 -1.23 -2.82 119.26 118.17 2nya h ALA 320 Ca 0.02 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2nya h ALA 320 Cb 0.32 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2nya h ALA 320 CO 0.00 0.29 -0.32 0.37 0.00 0.00 0.00 179.25 179.59 2nya h GLN 321 N 0.00 0.14 -0.78 0.00 5.75 -1.11 -2.09 115.11 117.01 2nya h GLN 321 Ca -0.00 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 2nya h GLN 321 Cb 0.73 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.23 2nya h GLN 321 CO 0.03 0.45 0.31 -0.07 -2.65 0.00 0.00 178.83 176.90 2nya h LEU 322 N 0.12 1.07 -0.48 -2.39 3.38 -1.43 -1.55 115.31 114.03 2nya h LEU 322 Ca 0.02 -0.17 -0.15 0.00 0.09 0.00 0.00 57.88 57.66 2nya h LEU 322 Cb 0.63 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2nya h LEU 322 CO 0.05 0.95 -0.42 1.88 0.09 0.00 0.00 178.44 180.99 2nya h TYR 323 N 1.12 0.95 -0.00 1.13 -1.99 -1.61 -3.27 116.97 113.30 2nya h TYR 323 Ca 0.26 -0.29 -0.17 0.00 2.00 0.00 0.00 58.73 60.53 2nya h TYR 323 Cb 0.21 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.72 2nya h TYR 323 CO 0.02 1.07 -0.78 0.00 -0.00 0.00 0.00 178.16 178.47 2nya h ALA 324 N 0.88 0.71 -2.29 3.88 0.00 -1.26 -3.44 119.26 117.74 2nya h ALA 324 Ca 0.05 -0.70 -0.54 0.00 0.00 0.00 0.00 54.91 53.72 2nya h ALA 324 Cb 0.98 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 2nya h ALA 324 CO 0.09 0.94 1.11 0.34 0.00 0.00 0.00 179.25 181.73 2nya s ASP 325 N -6.82 6.63 0.33 0.00 3.68 -0.59 -4.87 116.67 115.03 2nya s ASP 325 Ca -0.01 2.33 0.26 0.00 2.13 0.00 0.00 52.55 57.26 2nya s ASP 325 Cb 0.11 -2.53 1.04 0.00 -1.45 0.00 0.00 42.92 40.09 2nya s ASP 325 CO 0.79 -0.95 1.78 -0.65 0.13 0.00 0.00 175.17 176.28 2nya h PRO 326 N 9.65 0.00 -0.02 4.34 0.11 -1.90 -2.67 132.00 141.51 2nya h PRO 326 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2nya h PRO 326 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2nya h PRO 326 CO 0.95 0.00 -0.15 0.09 -0.21 0.00 0.00 178.00 178.68 2nya n ASN 327 N -2.48 2.58 -4.51 -2.05 3.02 -1.26 -4.90 115.26 105.65 2nya n ASN 327 Ca 0.02 -1.79 -0.43 0.00 -0.03 0.00 0.00 54.58 52.35 2nya n ASN 327 Cb 0.28 0.16 -0.04 0.00 -0.61 0.00 0.00 39.78 39.57 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 -2.05 3.31 -0.07 3.52 1.02 -1.01 -5.02 119.74 119.44 2nya s LYS 328 Ca 0.23 -0.33 -0.29 0.00 0.02 0.00 0.00 55.97 55.60 2nya s LYS 328 Cb 0.18 -4.07 -0.07 0.00 -0.52 0.00 0.00 37.83 33.36 2nya s LYS 328 CO 0.37 -1.49 1.93 0.15 -0.92 0.00 0.00 175.35 175.38 2nya s LYS 329 N 3.89 3.88 -0.07 1.68 1.02 -1.26 -4.92 119.74 123.95 2nya s LYS 329 Ca 0.29 2.29 0.04 0.00 0.02 0.00 0.00 55.97 58.61 2nya s LYS 329 Cb -0.13 -4.16 -0.02 0.00 -0.52 0.00 0.00 37.83 33.00 2nya s LYS 329 CO 0.18 -1.24 -0.19 0.08 -0.92 0.00 0.00 175.35 173.26 2nya s VAL 330 N 5.34 2.59 -0.16 3.17 1.01 -1.24 -0.79 120.40 130.33 2nya s VAL 330 Ca 0.86 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 2nya s VAL 330 Cb -0.37 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 2nya s VAL 330 CO 0.37 0.56 -0.06 -0.63 0.00 0.00 0.00 175.10 175.34 2nya s ILE 331 N -0.19 3.60 -0.18 2.22 1.01 -0.29 0.31 121.20 127.67 2nya s ILE 331 Ca -0.01 -0.46 -0.08 0.00 0.00 0.00 0.00 60.65 60.10 2nya s ILE 331 Cb -0.13 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 2nya s ILE 331 CO 0.03 0.49 0.08 -0.44 0.00 0.00 0.00 174.94 175.10 2nya s SER 332 N 0.53 5.81 -0.06 3.58 0.01 -0.84 -1.00 113.70 121.73 2nya s SER 332 Ca -0.05 0.14 0.05 0.00 1.31 0.00 0.00 55.95 57.41 2nya s SER 332 Cb -0.15 -1.99 -0.01 0.00 0.21 0.00 0.00 66.02 64.08 2nya s SER 332 CO 0.03 0.19 -0.22 -0.31 0.41 0.00 0.00 173.24 173.34 2nya s TYR 333 N 0.27 2.50 0.06 2.43 4.12 0.41 0.04 117.35 127.18 2nya s TYR 333 Ca 0.05 -0.61 -0.07 0.00 0.02 0.00 0.00 57.07 56.46 2nya s TYR 333 Cb -0.12 -1.62 -0.01 0.00 -1.52 0.00 0.00 41.96 38.70 2nya s TYR 333 CO -0.00 -0.14 0.14 1.67 0.02 0.00 0.00 175.55 177.24 2nya s TRP 334 N -0.24 0.18 0.00 2.71 -2.14 -1.24 0.41 118.94 118.62 2nya s TRP 334 Ca -0.01 -0.53 0.00 0.00 2.66 0.00 0.00 56.10 58.23 2nya s TRP 334 Cb -0.13 -0.11 0.00 0.00 -3.10 0.00 0.00 33.47 30.13 2nya s TRP 334 CO 0.03 -0.44 0.00 2.41 -2.66 0.00 0.00 176.95 176.28 2nya n THR 335 N 0.40 0.00 0.20 0.66 -1.04 -1.26 -1.11 114.28 112.12 2nya n THR 335 Ca -0.17 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 61.92 2nya n THR 335 Cb 0.60 0.00 0.33 0.00 -1.82 0.00 0.00 70.33 69.44 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 0.00 -0.51 -2.82 2.86 -1.90 -2.42 114.93 110.14 2nya h MET 336 Ca 0.00 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 2nya h MET 336 Cb 0.00 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.58 2nya h MET 336 CO 0.00 0.30 0.05 0.78 1.06 0.00 0.00 176.91 179.10 2nya h GLY 337 N 2.47 0.58 1.79 8.32 0.00 -1.85 0.54 103.07 114.91 2nya h GLY 337 Ca -0.00 0.02 -0.24 0.00 0.00 0.00 0.00 47.33 47.11 2nya h GLY 337 CO 0.04 -0.11 -1.11 0.74 0.00 0.00 0.00 176.54 176.10 2nya h PHE 338 N 0.17 0.29 0.10 5.60 -1.00 -1.74 -3.40 116.94 116.96 2nya h PHE 338 Ca 0.26 -0.20 -0.31 0.00 2.81 0.00 0.00 57.97 60.53 2nya h PHE 338 Cb 0.38 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 2nya h PHE 338 CO -0.28 1.14 -1.64 -0.91 -1.61 0.00 0.00 178.31 175.01 2nya h ASN 339 N 0.05 0.34 -2.13 2.17 4.21 -0.83 -3.37 115.58 116.02 2nya h ASN 339 Ca -0.08 -0.84 -0.72 0.00 1.21 0.00 0.00 56.30 55.87 2nya h ASN 339 Cb 1.84 -0.11 -0.17 0.00 -1.12 0.00 0.00 38.32 38.76 2nya h ASN 339 CO 0.17 1.71 1.30 -1.10 -1.29 0.00 0.00 177.43 178.22 2nya s GLN 340 N -2.50 3.98 -0.28 0.81 -0.21 0.18 -4.56 119.66 117.08 2nya s GLN 340 Ca -0.22 -2.37 -0.20 0.00 0.02 0.00 0.00 55.36 52.59 2nya s GLN 340 Cb 0.06 -5.07 0.12 0.00 1.00 0.00 0.00 33.01 29.12 2nya s GLN 340 CO 0.74 -1.80 0.91 -1.58 -2.12 0.00 0.00 175.29 171.44 2nya s HIS 341 N 1.98 -0.66 -0.55 0.91 2.46 -1.26 -4.10 115.29 114.07 2nya s HIS 341 Ca 0.41 1.42 0.25 0.00 0.47 0.00 0.00 55.06 57.61 2nya s HIS 341 Cb -0.03 0.40 0.93 0.00 -0.13 0.00 0.00 32.58 33.76 2nya s HIS 341 CO -0.01 -0.32 1.74 0.25 -2.47 0.00 0.00 174.74 173.92 2nya n THR 342 N 3.26 0.75 -2.33 0.89 -2.24 -1.26 -1.73 114.28 111.62 2nya n THR 342 Ca -0.16 0.06 -0.22 0.00 -2.27 0.00 0.00 64.05 61.45 2nya n THR 342 Cb 0.57 -0.97 0.01 0.00 -2.10 0.00 0.00 70.33 67.84 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 -2.26 3.19 0.00 -0.78 5.12 -1.26 -4.22 116.66 116.45 2nya n ARG 343 Ca 0.03 -4.18 -0.08 0.00 -1.93 0.00 0.00 57.85 51.69 2nya n ARG 343 Cb 0.30 -2.13 0.08 0.00 -1.16 0.00 0.00 32.46 29.55 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 2.45 0.59 0.96 -0.13 0.00 -1.50 0.14 103.07 105.59 2nya h GLY 344 Ca 0.26 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2nya h GLY 344 CO 0.73 0.58 0.15 -2.08 0.00 0.00 0.00 176.54 175.92 2nya h VAL 345 N 0.43 1.11 -0.32 4.60 2.07 -1.83 0.32 116.25 122.63 2nya h VAL 345 Ca 0.02 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.32 2nya h VAL 345 Cb 1.01 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 2nya h VAL 345 CO 0.09 0.11 0.03 -0.50 0.02 0.00 0.00 177.57 177.32 2nya h TRP 346 N 0.32 0.05 -0.62 1.57 4.06 -1.80 0.19 115.95 119.72 2nya h TRP 346 Ca 0.09 0.02 0.12 0.00 2.06 0.00 0.00 58.89 61.18 2nya h TRP 346 Cb 0.04 0.03 -0.12 0.00 -1.00 0.00 0.00 29.16 28.10 2nya h TRP 346 CO -0.04 -0.02 -0.24 0.00 -3.56 0.00 0.00 178.44 174.59 2nya h ALA 347 N 1.25 0.23 0.86 1.49 0.00 -0.30 0.88 119.26 123.69 2nya h ALA 347 Ca 0.15 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 2nya h ALA 347 Cb 0.18 0.62 0.01 0.00 0.00 0.00 0.00 17.79 18.60 2nya h ALA 347 CO -0.23 -0.53 -0.42 -0.91 0.00 0.00 0.00 179.25 177.17 2nya h ASN 348 N -0.08 -0.98 -0.83 0.00 2.35 0.98 -0.33 115.58 116.68 2nya h ASN 348 Ca 0.28 0.03 0.18 0.00 -0.55 0.00 0.00 56.30 56.25 2nya h ASN 348 Cb 0.52 0.25 -0.11 0.00 0.05 0.00 0.00 38.32 39.03 2nya h ASN 348 CO -0.68 -0.70 0.33 0.78 -1.65 0.00 0.00 177.43 175.52 2nya h ASN 349 N -1.17 0.27 -0.69 5.81 -0.26 -0.94 -2.13 115.58 116.47 2nya h ASN 349 Ca -0.12 0.14 -0.00 0.00 -0.56 0.00 0.00 56.30 55.75 2nya h ASN 349 Cb 0.89 0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 38.24 2nya h ASN 349 CO 0.20 0.04 0.42 -0.07 -1.06 0.00 0.00 177.43 176.95 2nya h LEU 350 N 0.41 0.83 -1.02 1.61 3.38 0.17 -2.18 115.31 118.51 2nya h LEU 350 Ca 0.49 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.31 2nya h LEU 350 Cb 0.86 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2nya h LEU 350 CO -0.48 0.65 -0.41 1.62 0.09 0.00 0.00 178.44 179.90 2nya h VAL 351 N 0.94 1.06 -0.39 1.22 3.04 -0.61 -2.93 116.25 118.58 2nya h VAL 351 Ca 0.25 -1.55 -0.13 0.00 -1.01 0.00 0.00 66.70 64.26 2nya h VAL 351 Cb -0.03 1.90 -0.01 0.00 -2.01 0.00 0.00 31.29 31.13 2nya h VAL 351 CO -0.05 0.41 -0.26 1.88 -1.01 0.00 0.00 177.57 178.54 2nya h TYR 352 N 0.00 0.93 -0.39 3.17 0.05 -0.85 -2.77 116.97 117.10 2nya h TYR 352 Ca -0.00 -0.23 0.08 0.00 0.05 0.00 0.00 58.73 58.63 2nya h TYR 352 Cb 0.86 -0.22 -0.08 0.00 1.01 0.00 0.00 36.73 38.30 2nya h TYR 352 CO 0.00 0.98 -0.18 -0.91 -1.05 0.00 0.00 178.16 177.00 2nya h ASN 353 N 0.69 -0.63 -0.73 3.88 2.35 -1.22 0.25 115.58 120.18 2nya h ASN 353 Ca 0.09 0.15 0.16 0.00 -0.55 0.00 0.00 56.30 56.14 2nya h ASN 353 Cb 0.80 0.34 -0.11 0.00 0.05 0.00 0.00 38.32 39.40 2nya h ASN 353 CO 0.07 -0.22 0.14 -0.07 -1.65 0.00 0.00 177.43 175.70 2nya h LEU 354 N -0.11 -0.05 -0.62 1.61 3.38 -1.48 0.30 115.31 118.34 2nya h LEU 354 Ca 0.19 0.15 -0.15 0.00 0.09 0.00 0.00 57.88 58.17 2nya h LEU 354 Cb 0.41 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2nya h LEU 354 CO -0.47 -0.06 -0.64 0.45 0.09 0.00 0.00 178.44 177.82 2nya h HIS 355 N 0.23 0.26 0.00 1.13 3.86 -1.11 -3.22 115.15 116.31 2nya h HIS 355 Ca 0.41 -0.11 -0.18 0.00 -1.16 0.00 0.00 60.37 59.34 2nya h HIS 355 Cb 0.70 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 29.10 2nya h HIS 355 CO -0.29 0.78 -0.84 -0.07 0.86 0.00 0.00 177.93 178.38 2nya h LEU 356 N 0.15 0.00 -0.54 2.43 3.38 0.25 -0.10 115.31 120.88 2nya h LEU 356 Ca -0.01 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 2nya h LEU 356 Cb 1.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 2nya h LEU 356 CO 0.10 0.84 -0.73 -0.07 0.09 0.00 0.00 178.44 178.67 2nya h LEU 357 N 0.00 0.06 0.00 1.67 3.38 -0.65 -3.32 115.31 116.45 2nya h LEU 357 Ca -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2nya h LEU 357 Cb 1.63 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.36 2nya h LEU 357 CO 0.11 0.76 -1.13 0.35 0.09 0.00 0.00 178.44 178.63 2nya n THR 358 N -3.70 0.00 -1.50 0.22 -2.24 -1.18 -1.30 114.28 104.58 2nya n THR 358 Ca -0.01 -0.07 -0.07 0.00 -2.27 0.00 0.00 64.05 61.63 2nya n THR 358 Cb 0.71 0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 69.78 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 1.47 0.65 3.37 3.38 0.00 -0.37 -4.42 105.19 109.27 2nya n GLY 359 Ca 0.03 -0.68 -0.46 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.16 3.79 -0.17 1.61 1.02 -0.19 -4.96 119.74 117.67 2nya s LYS 360 Ca 0.00 -2.49 -0.29 0.00 0.02 0.00 0.00 55.97 53.21 2nya s LYS 360 Cb 0.00 -4.63 0.12 0.00 -0.52 0.00 0.00 37.83 32.79 2nya s LYS 360 CO 0.00 -1.44 0.95 -1.50 -0.92 0.00 0.00 175.35 172.44 2nya s ILE 361 N 0.55 0.00 -1.39 2.17 2.07 -1.24 -4.01 121.20 119.35 2nya s ILE 361 Ca 0.27 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.51 2nya s ILE 361 Cb -0.08 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.51 2nya s ILE 361 CO -0.08 0.00 0.00 -1.20 -1.91 0.00 0.00 174.94 171.75 2nya n SER 362 N 1.05 -4.69 -4.23 4.50 7.64 -1.24 -4.93 113.62 111.72 2nya n SER 362 Ca -0.12 0.14 -0.25 0.00 1.01 0.00 0.00 58.87 59.65 2nya n SER 362 Cb 0.57 -3.97 -0.14 0.00 -1.01 0.00 0.00 64.21 59.66 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 -4.86 1.32 0.10 1.43 -1.52 -1.18 -4.55 119.66 110.39 2nya s GLN 363 Ca 0.00 -0.88 -0.36 0.00 -1.95 0.00 0.00 55.36 52.17 2nya s GLN 363 Cb 0.00 -1.40 -0.15 0.00 -0.22 0.00 0.00 33.01 31.24 2nya s GLN 363 CO 0.00 0.36 1.47 -2.30 -0.25 0.00 0.00 175.29 174.57 2nya n PRO 364 N 1.92 1.61 -0.58 2.91 -0.02 -1.26 -1.44 135.00 138.14 2nya n PRO 364 Ca -0.17 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2nya n PRO 364 Cb 0.54 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 3.02 1.63 2.76 -1.23 0.00 -1.25 -4.90 105.19 105.22 2nya n GLY 365 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 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 5.32 2.01 3.70 0.00 0.00 0.15 -3.09 105.19 113.29 2nya n GLY 367 Ca -0.05 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 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 4.46 -0.40 1.61 0.04 -1.26 -1.99 135.00 135.47 2nya s PRO 368 Ca 0.00 1.17 0.02 0.00 0.04 0.00 0.00 61.00 62.23 2nya s PRO 368 Cb 0.00 -3.48 0.12 0.00 0.04 0.00 0.00 34.50 31.18 2nya s PRO 368 CO 0.00 -0.08 0.16 0.12 0.04 0.00 0.00 177.00 177.24 2nya s PHE 369 N 1.22 2.56 -0.14 0.56 5.36 0.11 -4.62 117.98 123.02 2nya s PHE 369 Ca 0.44 -2.53 -0.31 0.00 -0.96 0.00 0.00 56.93 53.57 2nya s PHE 369 Cb -0.19 -2.27 -0.08 0.00 -0.34 0.00 0.00 43.02 40.14 2nya s PHE 369 CO 0.21 -0.84 2.09 0.45 -1.46 0.00 0.00 175.22 175.67 2nya n SER 370 N 3.96 3.40 -4.83 6.13 2.88 -1.26 -3.64 113.62 120.25 2nya n SER 370 Ca 0.04 0.57 -0.33 0.00 -1.33 0.00 0.00 58.87 57.82 2nya n SER 370 Cb 0.38 -1.47 -0.06 0.00 -0.75 0.00 0.00 64.21 62.30 2nya n SER 370 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2nya s LEU 371 N 6.35 3.89 -0.09 2.46 1.43 -0.27 -4.82 118.68 127.63 2nya s LEU 371 Ca 0.97 1.59 0.01 0.00 -1.03 0.00 0.00 54.13 55.68 2nya s LEU 371 Cb -0.50 -4.46 -0.02 0.00 0.03 0.00 0.00 46.19 41.24 2nya s LEU 371 CO 0.42 -0.39 -0.11 -0.89 0.23 0.00 0.00 176.35 175.61 2nya s THR 372 N -2.25 3.26 -0.09 5.49 2.01 -1.26 -4.68 115.64 118.12 2nya s THR 372 Ca 0.60 -0.62 -0.26 0.00 0.31 0.00 0.00 61.69 61.73 2nya s THR 372 Cb -0.09 -2.34 -0.27 0.00 0.01 0.00 0.00 72.50 69.81 2nya s THR 372 CO 0.18 0.56 0.89 1.23 -0.69 0.00 0.00 174.62 176.78 2nya h GLY 373 N 5.98 0.15 -2.25 4.40 0.00 -1.95 -3.31 103.07 106.09 2nya h GLY 373 Ca -0.37 -0.34 -0.47 0.00 0.00 0.00 0.00 47.33 46.15 2nya h GLY 373 CO 0.54 0.30 0.26 1.20 0.00 0.00 0.00 176.54 178.83 2nya s GLN 374 N -2.58 4.05 0.46 4.80 -0.21 -1.26 0.33 119.66 125.25 2nya s GLN 374 Ca -0.17 0.89 0.18 0.00 0.02 0.00 0.00 55.36 56.28 2nya s GLN 374 Cb -0.01 -2.26 1.12 0.00 1.00 0.00 0.00 33.01 32.86 2nya s GLN 374 CO 0.74 -0.04 2.00 -1.00 -2.12 0.00 0.00 175.29 174.88 2nya h PRO 375 N 1.69 0.00 0.00 2.91 0.13 -1.69 -3.19 132.00 131.86 2nya h PRO 375 Ca -0.48 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 2nya h PRO 375 Cb 1.18 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.05 2nya h PRO 375 CO 0.63 0.18 -0.83 0.45 -0.23 0.00 0.00 178.00 178.20 2nya n SER 376 N -4.10 0.60 -0.21 1.44 2.88 -0.14 -3.31 113.62 110.79 2nya n SER 376 Ca -0.02 -1.98 0.01 0.00 -1.33 0.00 0.00 58.87 55.55 2nya n SER 376 Cb 0.26 -0.24 0.12 0.00 -0.75 0.00 0.00 64.21 63.60 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 0.65 0.81 0.26 -1.46 0.00 -1.49 0.31 119.26 118.34 2nya h ALA 377 Ca -0.18 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2nya h ALA 377 Cb 1.72 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.60 2nya h ALA 377 CO 0.05 -0.22 -0.12 0.00 0.00 0.00 0.00 179.25 178.95 2nya h GLY 379 N -0.82 0.40 0.00 0.00 0.00 -1.39 0.54 103.07 101.80 2nya h GLY 379 Ca -0.04 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.76 2nya h GLY 379 CO 0.06 0.48 0.00 2.41 0.00 0.00 0.00 176.54 179.49 2nya n THR 380 N -3.85 0.00 -0.05 4.70 -1.04 0.11 -3.95 114.28 110.20 2nya n THR 380 Ca -0.04 0.31 -0.09 0.00 -2.04 0.00 0.00 64.05 62.19 2nya n THR 380 Cb 0.68 -1.25 -0.03 0.00 -1.82 0.00 0.00 70.33 67.91 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 0.26 0.06 2.41 0.00 -1.00 -1.31 119.26 117.69 2nya h ALA 381 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2nya h ALA 381 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2nya h ALA 381 CO 0.00 -0.30 -0.87 0.00 0.00 0.00 0.00 179.25 178.08 2nya h ARG 382 N 0.24 0.13 -0.29 0.00 3.08 -0.61 -1.22 114.38 115.71 2nya h ARG 382 Ca 0.09 -0.23 -0.18 0.00 0.07 0.00 0.00 59.98 59.73 2nya h ARG 382 Cb 0.02 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 2nya h ARG 382 CO -0.06 1.11 -0.54 0.93 -1.07 0.00 0.00 179.97 180.34 2nya h GLU 383 N -0.66 0.85 -0.01 0.04 5.08 0.06 -3.15 114.58 116.78 2nya h GLU 383 Ca -0.20 -0.53 -0.17 0.00 -1.00 0.00 0.00 59.36 57.46 2nya h GLU 383 Cb 1.43 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 2nya h GLU 383 CO 0.00 1.16 -0.77 0.28 -1.00 0.00 0.00 179.01 178.68 2nya h VAL 384 N 0.65 1.48 -1.38 3.13 2.07 -1.36 -2.56 116.25 118.29 2nya h VAL 384 Ca 0.02 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.08 2nya h VAL 384 Cb 1.14 2.34 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 2nya h VAL 384 CO 0.12 0.71 0.00 0.61 0.02 0.00 0.00 177.57 179.03 2nya n GLY 385 N 0.66 0.60 2.34 2.17 0.00 -1.03 -2.81 105.19 107.12 2nya n GLY 385 Ca -0.02 -0.35 -0.31 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 -0.69 4.15 -4.32 2.61 -2.24 -0.49 -4.44 114.28 108.85 2nya n THR 386 Ca 0.00 -2.99 -0.17 0.00 -2.27 0.00 0.00 64.05 58.62 2nya n THR 386 Cb 0.30 -2.12 -0.10 0.00 -2.10 0.00 0.00 70.33 66.31 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 0.11 1.53 -0.04 4.78 0.40 -1.23 -3.03 117.98 120.51 2nya s PHE 387 Ca 0.62 -0.94 0.31 0.00 -0.60 0.00 0.00 56.93 56.32 2nya s PHE 387 Cb 0.25 -0.89 1.34 0.00 0.51 0.00 0.00 43.02 44.23 2nya s PHE 387 CO -0.09 -0.06 1.93 0.00 0.70 0.00 0.00 175.22 177.69 2nya h ALA 388 N 2.48 1.00 -0.31 5.36 0.00 -1.42 -2.85 119.26 123.53 2nya h ALA 388 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2nya h ALA 388 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2nya h ALA 388 CO 0.64 0.00 0.00 -2.39 0.00 0.00 0.00 179.25 177.50 2nya n HIS 389 N -2.81 0.56 -4.34 0.00 1.44 -1.26 -2.11 115.22 106.69 2nya n HIS 389 Ca 0.01 -0.60 -0.28 0.00 -2.01 0.00 0.00 57.72 54.84 2nya n HIS 389 Cb 0.25 -0.10 -0.11 0.00 0.12 0.00 0.00 29.99 30.15 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 -1.47 1.71 0.19 -1.40 1.81 -1.08 -1.38 118.95 117.33 2nya s ARG 390 Ca 0.27 -1.30 0.03 0.00 -1.72 0.00 0.00 55.73 53.01 2nya s ARG 390 Cb 0.17 -2.03 -0.05 0.00 -0.45 0.00 0.00 34.95 32.60 2nya s ARG 390 CO 0.13 0.45 -0.02 -0.51 -0.68 0.00 0.00 175.30 174.67 2nya s LEU 391 N -2.36 2.23 0.78 2.53 1.43 0.18 -4.53 118.68 118.94 2nya s LEU 391 Ca 0.19 -1.16 -0.16 0.00 -1.03 0.00 0.00 54.13 51.96 2nya s LEU 391 Cb -0.10 -0.21 -0.09 0.00 0.03 0.00 0.00 46.19 45.82 2nya s LEU 391 CO 0.10 -0.50 -0.05 -2.65 0.23 0.00 0.00 176.35 173.48 2nya n PRO 392 N -0.31 0.06 -3.55 1.29 -0.02 -1.12 -2.90 135.00 128.45 2nya n PRO 392 Ca -0.07 0.04 -0.22 0.00 -2.02 0.00 0.00 63.50 61.23 2nya n PRO 392 Cb 0.63 -1.38 0.08 0.00 -0.02 0.00 0.00 33.50 32.81 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 -2.35 -1.44 -0.93 3.55 0.00 -0.96 -1.83 120.51 116.55 2nya n ALA 393 Ca 0.05 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2nya n ALA 393 Cb 0.51 -4.82 0.00 0.00 0.00 0.00 0.00 19.45 15.14 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 -1.99 -4.81 0.00 8.00 -1.26 -4.98 116.55 108.53 2nya n ASP 394 Ca -0.05 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.11 2nya n ASP 394 Cb 0.58 -1.03 -0.03 0.00 -0.02 0.00 0.00 41.12 40.63 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 -0.42 3.75 -0.02 -1.24 -1.94 -0.76 -4.92 119.30 113.75 2nya s MET 395 Ca 0.00 1.24 0.08 0.00 -1.71 0.00 0.00 55.69 55.30 2nya s MET 395 Cb 0.00 -2.09 -0.02 0.00 2.01 0.00 0.00 34.83 34.73 2nya s MET 395 CO 0.00 -0.46 -0.25 0.14 -0.01 0.00 0.00 175.02 174.45 2nya s VAL 396 N -2.20 1.95 -0.46 -6.03 -7.23 -1.26 0.49 120.40 105.66 2nya s VAL 396 Ca 0.65 -1.06 0.17 0.00 -1.81 0.00 0.00 61.98 59.93 2nya s VAL 396 Cb -0.15 -1.62 0.17 0.00 0.56 0.00 0.00 36.38 35.34 2nya s VAL 396 CO 0.25 0.55 1.52 1.33 -0.31 0.00 0.00 175.10 178.44 2nya n VAL 397 N 2.50 1.20 0.65 1.32 0.24 -0.48 -2.08 118.33 121.68 2nya n VAL 397 Ca -0.16 0.58 0.13 0.00 -2.04 0.00 0.00 64.34 62.84 2nya n VAL 397 Cb 0.51 -1.55 0.34 0.00 -1.47 0.00 0.00 33.84 31.68 2nya n VAL 397 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2nya n THR 398 N -2.05 0.45 -3.68 3.34 5.66 -1.26 -4.42 114.28 112.31 2nya n THR 398 Ca -0.00 -0.25 -0.39 0.00 -3.05 0.00 0.00 64.05 60.36 2nya n THR 398 Cb 0.07 -0.40 -0.12 0.00 -1.55 0.00 0.00 70.33 68.33 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 -4.25 5.46 0.53 1.09 3.84 -0.88 -4.97 114.94 115.75 2nya s ASN 399 Ca 0.10 -0.80 0.19 0.00 0.21 0.00 0.00 52.86 52.55 2nya s ASN 399 Cb 0.13 -1.96 1.33 0.00 -0.55 0.00 0.00 41.25 40.20 2nya s ASN 399 CO 0.63 -0.27 2.11 -0.08 -2.79 0.00 0.00 177.10 176.71 2nya h GLU 400 N 8.33 0.00 -0.14 0.43 4.81 -1.87 -0.58 114.58 125.56 2nya h GLU 400 Ca -0.29 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.77 2nya h GLU 400 Cb 1.12 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.51 2nya h GLU 400 CO 0.63 0.00 -0.58 -0.22 -0.73 0.00 0.00 179.01 178.11 2nya h LYS 401 N 0.00 0.65 -0.67 1.92 3.64 -1.94 -2.16 116.57 118.01 2nya h LYS 401 Ca 0.07 -0.50 0.05 0.00 -1.27 0.00 0.00 60.65 58.99 2nya h LYS 401 Cb 0.27 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 2nya h LYS 401 CO -0.00 1.12 0.39 0.45 -2.27 0.00 0.00 179.45 179.15 2nya h HIS 402 N 0.31 0.73 -0.15 1.91 3.86 -1.60 -2.17 115.15 118.05 2nya h HIS 402 Ca -0.03 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 2nya h HIS 402 Cb 1.21 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.44 2nya h HIS 402 CO 0.10 0.38 -0.00 0.00 0.86 0.00 0.00 177.93 179.27 2nya h ARG 403 N 0.74 0.21 -0.23 2.45 3.08 -1.08 -2.61 114.38 116.95 2nya h ARG 403 Ca 0.28 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 60.11 2nya h ARG 403 Cb 0.11 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2nya h ARG 403 CO -0.15 0.24 -0.62 0.22 -1.07 0.00 0.00 179.97 178.59 2nya h ASP 404 N 0.21 0.89 -0.31 7.04 1.82 -0.79 0.50 116.42 125.79 2nya h ASP 404 Ca 0.05 -0.51 -0.07 0.00 -0.39 0.00 0.00 57.03 56.11 2nya h ASP 404 Cb 0.15 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 39.90 2nya h ASP 404 CO 0.00 1.30 -0.07 0.40 -1.61 0.00 0.00 179.24 179.26 2nya h ILE 405 N 0.58 1.28 -0.07 2.25 2.04 -1.06 -1.20 117.51 121.33 2nya h ILE 405 Ca -0.01 -1.10 -0.06 0.00 1.00 0.00 0.00 64.86 64.69 2nya h ILE 405 Cb 1.23 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 2nya h ILE 405 CO 0.13 0.35 -0.19 0.00 0.00 0.00 0.00 178.15 178.44 2nya h GLU 407 N -0.26 0.92 -0.06 0.00 5.08 -0.89 0.07 114.58 119.44 2nya h GLU 407 Ca -0.01 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2nya h GLU 407 Cb 0.81 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2nya h GLU 407 CO 0.04 0.61 -0.04 0.87 -1.00 0.00 0.00 179.01 179.48 2nya h LYS 408 N 0.94 0.13 -0.76 2.33 1.57 -1.05 -1.63 116.57 118.10 2nya h LYS 408 Ca 0.39 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 59.08 2nya h LYS 408 Cb 0.29 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 2nya h LYS 408 CO -0.15 0.55 0.38 -0.22 -0.57 0.00 0.00 179.45 179.44 2nya h LYS 409 N -0.28 1.09 -0.00 3.15 3.11 -0.82 -2.71 116.57 120.10 2nya h LYS 409 Ca 0.01 -0.15 0.00 0.00 -2.81 0.00 0.00 60.65 57.70 2nya h LYS 409 Cb 0.52 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 31.55 2nya h LYS 409 CO 0.01 0.83 -0.07 0.91 -2.81 0.00 0.00 179.45 178.33 2nya n TRP 410 N -4.40 0.00 -3.50 1.91 8.01 -0.01 -4.94 117.44 114.51 2nya n TRP 410 Ca 0.07 0.00 -0.19 0.00 -1.31 0.00 0.00 57.50 56.07 2nya n TRP 410 Cb 0.12 -0.44 0.07 0.00 -2.01 0.00 0.00 31.31 29.05 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 -1.46 -2.48 -4.58 -0.99 4.05 -0.74 -4.93 115.26 104.13 2nya n ASN 411 Ca 0.08 -0.71 -0.24 0.00 0.45 0.00 0.00 54.58 54.16 2nya n ASN 411 Cb 0.33 -4.75 -0.09 0.00 1.23 0.00 0.00 39.78 36.50 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 -3.46 2.75 0.72 -1.44 -4.36 -0.69 -5.05 121.20 109.66 2nya s ILE 412 Ca 0.08 -2.11 -0.16 0.00 -0.26 0.00 0.00 60.65 58.19 2nya s ILE 412 Cb -0.01 -2.64 0.00 0.00 1.25 0.00 0.00 42.46 41.06 2nya s ILE 412 CO 0.76 -0.31 0.92 -2.65 0.24 0.00 0.00 174.94 173.90 2nya n PRO 413 N -0.82 0.48 -1.89 0.37 -0.02 -1.26 -4.64 135.00 127.22 2nya n PRO 413 Ca -0.05 0.22 -0.42 0.00 -2.02 0.00 0.00 63.50 61.23 2nya n PRO 413 Cb 0.61 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 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 -1.63 6.56 0.00 2.55 0.15 -1.26 -2.80 113.70 117.27 2nya s SER 414 Ca 0.72 2.59 0.00 0.00 0.70 0.00 0.00 55.95 59.97 2nya s SER 414 Cb -0.34 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.39 2nya s SER 414 CO 0.51 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.68 2nya n GLY 415 N 3.94 0.82 0.14 9.45 0.00 -1.26 -4.97 105.19 113.30 2nya n GLY 415 Ca 0.15 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 2nya n GLY 415 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2nya h THR 416 N 0.00 0.98 -2.57 2.61 1.35 -1.88 -3.43 112.91 109.97 2nya h THR 416 Ca 0.00 -2.53 -0.53 0.00 -0.55 0.00 0.00 66.41 62.81 2nya h THR 416 Cb 0.00 2.80 0.04 0.00 -1.73 0.00 0.00 68.15 69.26 2nya h THR 416 CO 0.00 0.85 1.09 -0.63 -0.25 0.00 0.00 175.52 176.58 2nya s ILE 417 N -2.58 2.49 0.43 6.82 1.01 -1.26 -4.79 121.20 123.32 2nya s ILE 417 Ca -0.15 0.07 -0.22 0.00 0.00 0.00 0.00 60.65 60.35 2nya s ILE 417 Cb 0.05 -3.05 -0.09 0.00 0.01 0.00 0.00 42.46 39.38 2nya s ILE 417 CO 0.86 0.00 1.02 -2.16 0.00 0.00 0.00 174.94 174.67 2nya s PRO 418 N 2.49 4.08 0.17 2.79 0.04 -1.26 -4.97 135.00 138.34 2nya s PRO 418 Ca 0.79 1.39 0.19 0.00 0.04 0.00 0.00 61.00 63.42 2nya s PRO 418 Cb -0.46 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.70 2nya s PRO 418 CO 0.35 -0.19 1.05 0.00 0.04 0.00 0.00 177.00 178.25 2nya h ALA 419 N 2.15 0.63 -2.46 8.56 0.00 -1.93 -3.46 119.26 122.75 2nya h ALA 419 Ca -0.49 -0.44 -0.53 0.00 0.00 0.00 0.00 54.91 53.45 2nya h ALA 419 Cb 1.21 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2nya h ALA 419 CO 0.61 0.50 0.39 0.21 0.00 0.00 0.00 179.25 180.96 2nya s LYS 420 N -3.10 4.58 0.25 0.00 2.20 -1.26 -4.25 119.74 118.17 2nya s LYS 420 Ca -0.00 1.46 -0.31 0.00 -0.36 0.00 0.00 55.97 56.76 2nya s LYS 420 Cb 0.08 -3.43 -0.12 0.00 -1.51 0.00 0.00 37.83 32.86 2nya s LYS 420 CO 0.78 -0.01 1.60 -0.89 -0.36 0.00 0.00 175.35 176.48 2nya n ILE 421 N 3.62 0.67 -0.77 5.43 5.41 -1.26 -4.75 119.36 127.71 2nya n ILE 421 Ca 0.05 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.64 2nya n ILE 421 Cb 0.50 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.56 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 2.72 -1.18 3.65 7.39 0.00 -0.90 -4.99 105.19 111.88 2nya n GLY 422 Ca 0.11 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 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 4.11 0.94 0.99 1.43 -1.26 -4.86 118.68 120.03 2nya s LEU 423 Ca 0.00 0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 53.84 2nya s LEU 423 Cb 0.00 -2.96 0.16 0.00 0.03 0.00 0.00 46.19 43.42 2nya s LEU 423 CO 0.00 -0.36 1.09 -1.38 0.23 0.00 0.00 176.35 175.93 2nya s HIS 424 N 2.27 2.09 0.15 0.29 -3.43 -1.26 -4.60 115.29 110.80 2nya s HIS 424 Ca 0.30 1.29 -0.29 0.00 -0.80 0.00 0.00 55.06 55.56 2nya s HIS 424 Cb -0.16 -3.18 -0.06 0.00 -1.43 0.00 0.00 32.58 27.75 2nya s HIS 424 CO 0.09 -2.69 1.47 0.00 -2.00 0.00 0.00 174.74 171.61 2nya n ALA 425 N -4.09 -0.59 0.13 -1.38 0.00 -1.26 -0.07 120.51 113.25 2nya n ALA 425 Ca 0.07 0.79 -0.01 0.00 0.00 0.00 0.00 53.44 54.29 2nya n ALA 425 Cb 0.55 -0.11 0.25 0.00 0.00 0.00 0.00 19.45 20.14 2nya n ALA 425 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2nya h VAL 426 N 0.00 1.33 -0.32 0.00 2.07 -1.93 -2.61 116.25 114.78 2nya h VAL 426 Ca 0.15 -1.58 -0.10 0.00 0.82 0.00 0.00 66.70 65.99 2nya h VAL 426 Cb 0.38 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 2nya h VAL 426 CO -0.87 0.46 -0.20 0.00 0.02 0.00 0.00 177.57 176.98 2nya h ALA 427 N 1.45 1.05 -0.74 1.67 0.00 -1.30 -1.31 119.26 120.07 2nya h ALA 427 Ca 0.01 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.59 2nya h ALA 427 Cb 0.83 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2nya h ALA 427 CO 0.06 0.57 0.48 1.96 0.00 0.00 0.00 179.25 182.33 2nya h GLN 428 N 0.54 0.98 -0.33 0.00 4.20 -0.17 0.38 115.11 120.70 2nya h GLN 428 Ca 0.08 -0.07 0.07 0.00 0.06 0.00 0.00 58.65 58.80 2nya h GLN 428 Cb 0.64 -0.22 -0.08 0.00 0.30 0.00 0.00 27.48 28.12 2nya h GLN 428 CO 0.05 0.66 -0.20 -0.44 -0.67 0.00 0.00 178.83 178.23 2nya h ASP 429 N 1.01 -0.67 -0.34 1.46 3.32 -1.10 -0.76 116.42 119.34 2nya h ASP 429 Ca 0.27 0.14 -0.09 0.00 0.02 0.00 0.00 57.03 57.37 2nya h ASP 429 Cb -0.10 0.34 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2nya h ASP 429 CO -0.06 -0.23 -0.11 0.03 -1.72 0.00 0.00 179.24 177.15 2nya h ARG 430 N -0.16 0.78 -0.37 3.56 3.08 -0.37 -1.88 114.38 119.03 2nya h ARG 430 Ca 0.17 -0.26 -0.17 0.00 0.07 0.00 0.00 59.98 59.80 2nya h ARG 430 Cb 0.42 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 2nya h ARG 430 CO -0.43 0.86 -0.41 0.00 -1.07 0.00 0.00 179.97 178.92 2nya h ALA 431 N 1.17 0.55 -0.03 0.04 0.00 -0.03 -2.44 119.26 118.52 2nya h ALA 431 Ca 0.12 -0.47 0.01 0.00 0.00 0.00 0.00 54.91 54.58 2nya h ALA 431 Cb 0.59 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2nya h ALA 431 CO 0.04 0.68 -0.05 -0.07 0.00 0.00 0.00 179.25 179.85 2nya h LEU 432 N 0.76 -0.14 -1.64 0.00 -0.00 -0.99 0.61 115.31 113.90 2nya h LEU 432 Ca 0.05 0.03 0.15 0.00 -0.00 0.00 0.00 57.88 58.11 2nya h LEU 432 Cb 1.01 0.07 -0.05 0.00 -0.00 0.00 0.00 40.66 41.70 2nya h LEU 432 CO 0.10 -0.07 0.49 0.50 -0.00 0.00 0.00 178.44 179.46 2nya h LYS 433 N -0.07 0.34 -0.01 1.13 1.63 -1.24 -0.16 116.57 118.19 2nya h LYS 433 Ca 0.03 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2nya h LYS 433 Cb 0.11 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 2nya h LYS 433 CO -0.07 0.22 -0.01 -0.25 -3.45 0.00 0.00 179.45 175.89 2nya n ASP 434 N -4.46 1.32 -0.13 4.20 10.43 -0.74 -4.80 116.55 122.36 2nya n ASP 434 Ca 0.14 -1.42 -0.02 0.00 2.57 0.00 0.00 54.79 56.07 2nya n ASP 434 Cb 0.55 0.00 -0.01 0.00 1.84 0.00 0.00 41.12 43.51 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 1.16 0.35 0.09 0.44 0.00 -0.07 -4.85 105.19 102.31 2nya n GLY 435 Ca 0.19 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 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 0.34 0.18 -4.63 1.61 1.57 -1.13 -3.42 116.57 111.09 2nya h LYS 436 Ca -0.03 -0.31 -0.70 0.00 -1.87 0.00 0.00 60.65 57.73 2nya h LYS 436 Cb 0.64 0.12 -0.24 0.00 0.08 0.00 0.00 32.23 32.82 2nya h LYS 436 CO 0.05 1.12 -0.52 -1.17 -0.57 0.00 0.00 179.45 178.36 2nya s LEU 437 N -6.97 4.59 -0.02 2.94 0.20 -1.02 -4.49 118.68 113.91 2nya s LEU 437 Ca -0.03 -0.91 0.13 0.00 0.69 0.00 0.00 54.13 54.01 2nya s LEU 437 Cb 0.08 -2.02 -0.20 0.00 -0.43 0.00 0.00 46.19 43.62 2nya s LEU 437 CO 0.86 -0.35 0.28 0.59 -0.29 0.00 0.00 176.35 177.44 2nya n ASN 438 N 4.99 1.98 -4.00 3.68 5.03 0.32 -4.45 115.26 122.81 2nya n ASN 438 Ca -0.12 0.00 -0.27 0.00 0.87 0.00 0.00 54.58 55.06 2nya n ASN 438 Cb 0.47 1.57 -0.17 0.00 -1.02 0.00 0.00 39.78 40.63 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 -2.89 1.28 -0.18 2.41 1.01 -0.98 0.38 120.40 121.43 2nya s VAL 439 Ca -0.05 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 2nya s VAL 439 Cb 0.08 -1.20 0.08 0.00 0.00 0.00 0.00 36.38 35.34 2nya s VAL 439 CO 0.55 0.40 0.20 -0.47 0.00 0.00 0.00 175.10 175.78 2nya s TYR 440 N 1.16 -0.22 -0.29 5.22 6.04 -0.40 -0.38 117.35 128.48 2nya s TYR 440 Ca -0.04 0.24 -0.05 0.00 0.04 0.00 0.00 57.07 57.26 2nya s TYR 440 Cb -0.14 -0.37 0.02 0.00 -1.04 0.00 0.00 41.96 40.42 2nya s TYR 440 CO -0.03 -0.54 0.05 -0.46 -1.54 0.00 0.00 175.55 173.03 2nya s TRP 441 N 2.31 3.15 -0.09 4.97 -0.11 -0.44 -0.77 118.94 127.95 2nya s TRP 441 Ca 0.06 -1.18 -0.12 0.00 1.22 0.00 0.00 56.10 56.08 2nya s TRP 441 Cb -0.15 -2.21 -0.05 0.00 -1.50 0.00 0.00 33.47 29.56 2nya s TRP 441 CO -0.11 -0.63 0.28 -0.08 -4.62 0.00 0.00 176.95 171.79 2nya s THR 442 N 1.44 5.27 -0.04 5.86 -1.32 0.28 -1.52 115.64 125.61 2nya s THR 442 Ca 0.01 0.54 0.01 0.00 -1.21 0.00 0.00 61.69 61.04 2nya s THR 442 Cb -0.17 -3.58 0.02 0.00 -1.51 0.00 0.00 72.50 67.25 2nya s THR 442 CO 0.01 0.54 -0.05 -0.04 -2.21 0.00 0.00 174.62 172.86 2nya s MET 443 N -0.60 0.91 -1.42 7.08 1.00 0.33 -1.20 119.30 125.39 2nya s MET 443 Ca 0.19 -0.14 -0.07 0.00 0.00 0.00 0.00 55.69 55.66 2nya s MET 443 Cb -0.14 -0.88 0.01 0.00 0.00 0.00 0.00 34.83 33.82 2nya s MET 443 CO 0.07 -0.06 0.96 0.00 0.00 0.00 0.00 175.02 176.00 2nya s THR 445 N -3.26 0.07 -0.60 0.00 -4.23 -1.26 -4.66 115.64 101.69 2nya s THR 445 Ca 0.48 -0.60 0.06 0.00 -1.18 0.00 0.00 61.69 60.45 2nya s THR 445 Cb -0.21 -0.81 0.27 0.00 1.34 0.00 0.00 72.50 73.09 2nya s THR 445 CO 0.59 -0.33 0.78 -3.20 -0.54 0.00 0.00 174.62 171.92 2nya n ASN 446 N 0.85 3.60 0.13 3.99 4.05 -1.26 -4.95 115.26 121.68 2nya n ASN 446 Ca -0.20 -3.44 0.00 0.00 0.45 0.00 0.00 54.58 51.40 2nya n ASN 446 Cb 0.58 -0.64 0.08 0.00 1.23 0.00 0.00 39.78 41.03 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 3.84 0.00 -0.40 1.20 -0.00 -1.98 0.33 115.58 118.58 2nya h ASN 447 Ca 0.17 0.00 0.12 0.00 -0.00 0.00 0.00 56.30 56.59 2nya h ASN 447 Cb 0.65 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.95 2nya h ASN 447 CO 0.80 0.62 0.31 -0.03 -0.00 0.00 0.00 177.43 179.12 2nya h MET 448 N 0.00 0.00 0.00 6.67 4.05 -1.92 -1.79 114.93 121.94 2nya h MET 448 Ca -0.01 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.10 2nya h MET 448 Cb 1.33 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 32.07 2nya h MET 448 CO 0.08 0.00 -2.18 0.94 0.23 0.00 0.00 176.91 175.98 2nya n GLN 449 N -4.30 0.96 0.02 0.39 7.27 -0.86 -4.67 117.38 116.18 2nya n GLN 449 Ca 0.07 0.05 -0.10 0.00 0.07 0.00 0.00 57.00 57.08 2nya n GLN 449 Cb 0.50 -1.43 -0.13 0.00 2.41 0.00 0.00 30.24 31.58 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 0.47 0.57 -2.24 1.69 0.00 -0.32 -3.42 119.26 116.01 2nya h ALA 450 Ca -0.46 -1.26 -0.48 0.00 0.00 0.00 0.00 54.91 52.71 2nya h ALA 450 Cb 1.91 0.29 0.03 0.00 0.00 0.00 0.00 17.79 20.02 2nya h ALA 450 CO -0.02 1.41 0.38 0.20 0.00 0.00 0.00 179.25 181.22 2nya s GLY 451 N -5.00 2.11 0.65 0.00 0.00 -0.68 -5.01 107.32 99.38 2nya s GLY 451 Ca -0.05 0.26 -0.15 0.00 0.00 0.00 0.00 44.72 44.79 2nya s GLY 451 CO 0.83 0.55 1.09 2.56 0.00 0.00 0.00 173.10 178.13 2nya s PRO 452 N -4.01 2.93 -1.23 2.90 0.04 -1.26 -4.31 135.00 130.05 2nya s PRO 452 Ca 0.61 1.31 -0.06 0.00 0.04 0.00 0.00 61.00 62.90 2nya s PRO 452 Cb -0.12 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 2nya s PRO 452 CO 0.32 -1.14 0.75 -1.71 0.04 0.00 0.00 177.00 175.26 2nya n ASN 453 N -2.38 -2.95 -0.30 6.66 5.15 -0.14 -4.80 115.26 116.50 2nya n ASN 453 Ca 0.10 -0.85 0.13 0.00 -0.60 0.00 0.00 54.58 53.36 2nya n ASN 453 Cb 0.52 -4.05 0.30 0.00 -0.53 0.00 0.00 39.78 36.02 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 -1.76 0.36 0.00 -1.44 2.04 -0.75 -2.89 117.51 113.06 2nya h ILE 454 Ca -0.62 -0.09 -0.09 0.00 1.00 0.00 0.00 64.86 65.06 2nya h ILE 454 Cb 1.35 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2nya h ILE 454 CO 0.53 0.05 -0.43 0.78 0.00 0.00 0.00 178.15 179.07 2nya h ASN 455 N 0.26 0.00 0.07 1.72 2.35 -1.83 -2.35 115.58 115.79 2nya h ASN 455 Ca 0.56 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 56.06 2nya h ASN 455 Cb 1.12 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.48 2nya h ASN 455 CO -0.62 0.43 -1.30 -0.33 -1.65 0.00 0.00 177.43 173.97 2nya h GLU 456 N 0.00 0.14 0.00 0.81 5.08 -1.83 -3.41 114.58 115.37 2nya h GLU 456 Ca -0.00 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 2nya h GLU 456 Cb 0.86 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 2nya h GLU 456 CO 0.06 1.11 -0.53 0.39 -1.00 0.00 0.00 179.01 179.04 2nya n GLU 457 N -4.11 0.16 -0.03 2.33 -0.58 -1.25 -4.78 120.64 112.38 2nya n GLU 457 Ca -0.27 0.07 -0.14 0.00 -0.42 0.00 0.00 57.16 56.40 2nya n GLU 457 Cb 0.80 -0.78 -0.10 0.00 -0.57 0.00 0.00 31.44 30.79 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 -0.30 0.14 0.38 3.49 2.43 -1.77 -0.44 114.38 118.31 2nya h ARG 458 Ca -0.04 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 2nya h ARG 458 Cb 0.48 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2nya h ARG 458 CO -0.03 0.68 -0.18 1.98 -1.51 0.00 0.00 179.97 180.92 2nya h MET 459 N -0.39 -0.49 -0.98 0.20 4.05 -1.71 0.12 114.93 115.72 2nya h MET 459 Ca 0.00 0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.51 2nya h MET 459 Cb 0.68 0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 31.53 2nya h MET 459 CO 0.02 -0.31 0.64 -1.35 0.23 0.00 0.00 176.91 176.14 2nya h PRO 460 N -0.55 1.14 -0.49 0.39 0.11 -1.79 -0.12 132.00 130.69 2nya h PRO 460 Ca -0.05 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 2nya h PRO 460 Cb 0.42 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 31.25 2nya h PRO 460 CO 0.09 0.76 0.25 0.78 -0.21 0.00 0.00 178.00 179.66 2nya h GLY 461 N 1.18 0.75 1.35 -0.55 0.00 -0.80 -1.05 103.07 103.95 2nya h GLY 461 Ca 0.42 -0.37 -0.14 0.00 0.00 0.00 0.00 47.33 47.24 2nya h GLY 461 CO -0.16 0.35 -0.38 1.49 0.00 0.00 0.00 176.54 177.84 2nya h TRP 462 N 0.65 0.85 -0.01 5.60 4.06 -0.49 -2.87 115.95 123.75 2nya h TRP 462 Ca 0.17 -0.25 0.00 0.00 2.06 0.00 0.00 58.89 60.88 2nya h TRP 462 Cb 0.10 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 28.08 2nya h TRP 462 CO -0.01 0.99 -0.04 0.54 -3.56 0.00 0.00 178.44 176.35 2nya n ARG 463 N -4.04 1.14 -2.25 0.49 5.12 -0.08 -4.79 116.66 112.25 2nya n ARG 463 Ca -0.02 -0.44 -0.42 0.00 -1.93 0.00 0.00 57.85 55.05 2nya n ARG 463 Cb 0.52 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.30 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 -2.16 6.91 0.00 0.55 -1.08 -0.41 -4.90 116.67 115.57 2nya s ASP 464 Ca 0.38 2.22 0.13 0.00 -0.52 0.00 0.00 52.55 54.76 2nya s ASP 464 Cb 0.21 -2.58 0.59 0.00 -1.46 0.00 0.00 42.92 39.68 2nya s ASP 464 CO 0.39 -0.60 1.37 -0.81 0.52 0.00 0.00 175.17 176.05 2nya n PRO 465 N 3.96 0.08 0.00 4.34 -0.04 -1.26 -1.00 135.00 141.08 2nya n PRO 465 Ca 0.11 0.23 0.14 0.00 -0.04 0.00 0.00 63.50 63.94 2nya n PRO 465 Cb 0.44 -1.50 0.62 0.00 -0.04 0.00 0.00 33.50 33.01 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 -1.40 0.11 -4.43 0.54 1.74 -1.26 -4.89 116.66 107.07 2nya n ARG 466 Ca 0.04 -0.01 -0.30 0.00 -0.77 0.00 0.00 57.85 56.82 2nya n ARG 466 Cb 0.13 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 29.95 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 -2.89 3.70 -0.20 0.55 0.01 -0.17 -4.69 114.94 111.25 2nya s ASN 467 Ca 0.17 -0.58 0.01 0.00 -0.71 0.00 0.00 52.86 51.75 2nya s ASN 467 Cb 0.19 -0.47 0.05 0.00 0.41 0.00 0.00 41.25 41.43 2nya s ASN 467 CO 0.53 0.20 -0.08 0.12 -1.51 0.00 0.00 177.10 176.35 2nya s PHE 468 N -1.06 2.29 -0.14 2.20 5.36 0.16 -4.84 117.98 121.94 2nya s PHE 468 Ca 0.16 -1.54 -0.03 0.00 -0.96 0.00 0.00 56.93 54.56 2nya s PHE 468 Cb -0.10 -1.57 -0.03 0.00 -0.34 0.00 0.00 43.02 40.98 2nya s PHE 468 CO 0.08 -0.73 -0.03 0.42 -1.46 0.00 0.00 175.22 173.50 2nya s ILE 469 N 1.44 3.99 -0.12 3.12 -1.09 -1.26 -1.28 121.20 126.00 2nya s ILE 469 Ca -0.02 -0.34 0.03 0.00 -2.23 0.00 0.00 60.65 58.10 2nya s ILE 469 Cb -0.17 -2.73 0.01 0.00 -1.58 0.00 0.00 42.46 37.99 2nya s ILE 469 CO -0.08 0.52 -0.22 -0.63 -1.23 0.00 0.00 174.94 173.30 2nya s ILE 470 N 0.07 1.97 -0.04 2.92 1.01 0.05 -0.56 121.20 126.62 2nya s ILE 470 Ca 0.00 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.74 2nya s ILE 470 Cb -0.13 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.61 2nya s ILE 470 CO 0.03 0.54 -0.13 0.68 0.00 0.00 0.00 174.94 176.05 2nya s VAL 471 N 0.63 1.12 -0.25 2.92 -7.23 -0.40 0.10 120.40 117.28 2nya s VAL 471 Ca -0.12 -0.53 -0.09 0.00 -1.81 0.00 0.00 61.98 59.43 2nya s VAL 471 Cb -0.16 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.76 2nya s VAL 471 CO 0.03 0.33 0.11 -0.44 -0.31 0.00 0.00 175.10 174.83 2nya s SER 472 N 0.18 5.56 -0.18 4.85 0.01 -0.34 -0.03 113.70 123.75 2nya s SER 472 Ca -0.05 -0.08 -0.28 0.00 1.31 0.00 0.00 55.95 56.86 2nya s SER 472 Cb -0.11 -2.01 0.08 0.00 0.21 0.00 0.00 66.02 64.20 2nya s SER 472 CO 0.02 0.00 0.78 -0.62 0.41 0.00 0.00 173.24 173.83 2nya s ASP 473 N 1.43 -0.63 0.44 2.44 -1.08 -0.94 -2.75 116.67 115.58 2nya s ASP 473 Ca 0.06 0.96 0.30 0.00 -0.52 0.00 0.00 52.55 53.36 2nya s ASP 473 Cb -0.15 0.89 1.30 0.00 -1.46 0.00 0.00 42.92 43.50 2nya s ASP 473 CO 0.06 -0.38 1.90 1.55 0.52 0.00 0.00 175.17 178.81 2nya h PRO 474 N 3.84 0.00 -5.22 4.34 0.13 -1.86 -2.96 132.00 130.27 2nya h PRO 474 Ca -0.27 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.49 2nya h PRO 474 Cb 1.16 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.11 2nya h PRO 474 CO 0.22 0.00 -0.74 0.71 -0.23 0.00 0.00 178.00 177.96 2nya s TYR 475 N -3.57 1.29 -0.97 1.56 1.51 -1.26 -0.85 117.35 115.06 2nya s TYR 475 Ca 0.02 -0.63 -0.22 0.00 -1.01 0.00 0.00 57.07 55.23 2nya s TYR 475 Cb 0.09 -0.67 0.07 0.00 -0.11 0.00 0.00 41.96 41.34 2nya s TYR 475 CO 0.46 0.10 1.34 -1.25 -1.11 0.00 0.00 175.55 175.08 2nya s PRO 476 N -2.97 3.56 0.80 -1.71 0.04 -1.26 -4.82 135.00 128.64 2nya s PRO 476 Ca 0.10 -1.26 -0.08 0.00 0.04 0.00 0.00 61.00 59.80 2nya s PRO 476 Cb -0.03 -5.15 0.13 0.00 0.04 0.00 0.00 34.50 29.49 2nya s PRO 476 CO 0.02 -2.07 1.12 0.95 0.04 0.00 0.00 177.00 177.06 2nya s THR 477 N 4.33 2.13 0.25 1.26 -4.23 -1.26 -4.82 115.64 113.31 2nya s THR 477 Ca 0.41 -0.26 -0.06 0.00 -1.18 0.00 0.00 61.69 60.60 2nya s THR 477 Cb -0.02 -2.87 0.31 0.00 1.34 0.00 0.00 72.50 71.25 2nya s THR 477 CO -0.08 0.00 1.62 0.58 -0.54 0.00 0.00 174.62 176.20 2nya h VAL 478 N -0.96 0.28 0.15 2.29 2.07 -1.97 0.05 116.25 118.15 2nya h VAL 478 Ca -0.42 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 2nya h VAL 478 Cb 1.27 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2nya h VAL 478 CO 0.47 0.01 -0.07 0.28 0.02 0.00 0.00 177.57 178.28 2nya h SER 479 N 0.08 -0.17 -0.65 0.57 0.02 -1.93 -2.74 113.55 108.75 2nya h SER 479 Ca 0.44 -0.07 0.08 0.00 -0.84 0.00 0.00 61.79 61.39 2nya h SER 479 Cb 0.78 0.04 -0.06 0.00 0.14 0.00 0.00 62.40 63.30 2nya h SER 479 CO -0.72 -0.03 0.32 0.00 -1.14 0.00 0.00 176.83 175.25 2nya h ALA 480 N 0.55 0.87 0.00 3.77 0.00 -1.81 -1.02 119.26 121.62 2nya h ALA 480 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2nya h ALA 480 Cb 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2nya h ALA 480 CO 0.03 -0.06 0.00 -0.07 0.00 0.00 0.00 179.25 179.15 2nya h LEU 481 N 0.57 0.00 -1.52 0.00 3.38 -0.94 -2.01 115.31 114.79 2nya h LEU 481 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2nya h LEU 481 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2nya h LEU 481 CO -0.24 0.00 -0.17 0.00 0.09 0.00 0.00 178.44 178.12 2nya n ALA 482 N -1.84 2.86 -2.02 1.53 0.00 -0.42 -4.98 120.51 115.63 2nya n ALA 482 Ca 0.01 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2nya n ALA 482 Cb 0.18 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 0.75 0.00 0.00 0.00 0.00 -0.75 -4.67 120.51 115.84 2nya n ALA 483 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2nya n ALA 483 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.73 4.71 -3.85 0.00 8.00 0.27 -4.95 116.55 118.01 2nya n ASP 484 Ca 0.00 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.32 2nya n ASP 484 Cb 0.00 0.77 -0.16 0.00 -0.02 0.00 0.00 41.12 41.71 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 -3.18 1.22 -0.18 0.64 2.96 -0.72 -1.00 118.68 118.43 2nya s LEU 485 Ca 0.00 -0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 53.83 2nya s LEU 485 Cb 0.00 -0.31 -0.00 0.00 0.50 0.00 0.00 46.19 46.38 2nya s LEU 485 CO 0.00 -0.08 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.21 2nya s ILE 486 N 0.98 2.98 -0.22 6.68 1.01 -0.23 -1.28 121.20 131.12 2nya s ILE 486 Ca -0.10 -0.65 -0.06 0.00 0.00 0.00 0.00 60.65 59.84 2nya s ILE 486 Cb -0.14 -2.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.01 2nya s ILE 486 CO -0.01 0.48 0.02 -0.76 0.00 0.00 0.00 174.94 174.67 2nya s LEU 487 N 1.02 3.31 0.00 2.97 1.43 0.95 -2.02 118.68 126.34 2nya s LEU 487 Ca -0.01 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.58 2nya s LEU 487 Cb -0.15 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 2nya s LEU 487 CO -0.02 0.03 1.30 -2.16 0.23 0.00 0.00 176.35 175.74 2nya s PRO 488 N 1.19 4.33 -0.07 1.29 0.04 -1.26 -2.22 135.00 138.31 2nya s PRO 488 Ca 0.03 1.85 0.05 0.00 0.04 0.00 0.00 61.00 62.98 2nya s PRO 488 Cb -0.14 -3.50 -0.01 0.00 0.04 0.00 0.00 34.50 30.88 2nya s PRO 488 CO 0.02 -0.47 -0.24 0.99 0.04 0.00 0.00 177.00 177.34 2nya s THR 489 N 2.00 2.13 0.35 1.26 2.01 -1.12 -1.54 115.64 120.73 2nya s THR 489 Ca 0.60 -1.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.29 2nya s THR 489 Cb -0.29 -1.78 -0.11 0.00 0.01 0.00 0.00 72.50 70.32 2nya s THR 489 CO 0.26 0.57 1.51 0.00 -0.69 0.00 0.00 174.62 176.26 2nya n ALA 490 N 3.06 2.36 -2.40 7.40 0.00 0.13 -4.07 120.51 126.99 2nya n ALA 490 Ca -0.18 0.35 -0.21 0.00 0.00 0.00 0.00 53.44 53.41 2nya n ALA 490 Cb 0.52 -2.42 -0.10 0.00 0.00 0.00 0.00 19.45 17.45 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 -1.66 1.49 0.00 0.00 0.23 -1.26 -4.58 119.30 113.52 2nya s MET 491 Ca 0.56 -1.70 0.00 0.00 -1.03 0.00 0.00 55.69 53.52 2nya s MET 491 Cb -0.49 -1.29 0.00 0.00 -1.53 0.00 0.00 34.83 31.52 2nya s MET 491 CO 0.60 0.17 0.00 1.87 -2.03 0.00 0.00 175.02 175.63 2nya n TRP 492 N -0.51 0.00 0.81 3.16 -0.00 -1.26 -0.33 117.44 119.32 2nya n TRP 492 Ca -0.07 0.00 0.10 0.00 -0.00 0.00 0.00 57.50 57.54 2nya n TRP 492 Cb 0.61 0.00 0.29 0.00 -0.00 0.00 0.00 31.31 32.21 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 0.38 1.95 5.87 3.14 -1.26 -3.10 118.33 125.32 2nya n VAL 493 Ca 0.00 -0.52 0.08 0.00 -2.96 0.00 0.00 64.34 60.94 2nya n VAL 493 Cb 0.00 0.53 0.45 0.00 -1.06 0.00 0.00 33.84 33.76 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 0.77 1.04 -3.92 1.45 1.02 0.55 -1.41 120.64 120.14 2nya n GLU 494 Ca 0.17 -0.06 -0.09 0.00 -0.02 0.00 0.00 57.16 57.15 2nya n GLU 494 Cb 0.42 -1.25 -0.06 0.00 -0.02 0.00 0.00 31.44 30.54 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 -1.99 1.33 0.17 3.49 -2.85 -1.18 -4.56 119.74 114.15 2nya s LYS 495 Ca 0.24 -1.12 -0.28 0.00 -1.00 0.00 0.00 55.97 53.80 2nya s LYS 495 Cb 0.11 0.44 -0.08 0.00 -2.06 0.00 0.00 37.83 36.24 2nya s LYS 495 CO 0.18 -0.53 0.89 -2.00 0.10 0.00 0.00 175.35 174.00 2nya s GLU 496 N -3.96 4.72 0.20 1.78 2.12 -1.26 -3.69 118.70 118.61 2nya s GLU 496 Ca 0.17 1.37 -0.03 0.00 0.36 0.00 0.00 54.97 56.83 2nya s GLU 496 Cb 0.01 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 31.06 2nya s GLU 496 CO 0.02 0.42 0.19 0.20 -0.54 0.00 0.00 175.26 175.56 2nya s GLY 497 N -0.74 1.23 -0.28 -1.50 0.00 -0.21 -4.94 107.32 100.88 2nya s GLY 497 Ca 0.41 -1.52 -0.16 0.00 0.00 0.00 0.00 44.72 43.45 2nya s GLY 497 CO 0.29 -1.24 0.83 0.00 0.00 0.00 0.00 173.10 172.97 2nya s ALA 498 N -4.12 -2.06 0.03 3.20 0.00 -1.26 -1.94 121.76 115.61 2nya s ALA 498 Ca 0.35 2.31 0.02 0.00 0.00 0.00 0.00 51.96 54.64 2nya s ALA 498 Cb 0.06 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.61 2nya s ALA 498 CO 0.11 -0.36 -0.08 0.71 0.00 0.00 0.00 175.76 176.14 2nya s TYR 499 N 1.45 0.68 -0.12 0.00 2.02 -0.30 -1.97 117.35 119.11 2nya s TYR 499 Ca -0.09 -0.37 0.01 0.00 -0.37 0.00 0.00 57.07 56.25 2nya s TYR 499 Cb -0.04 -0.41 0.02 0.00 -0.40 0.00 0.00 41.96 41.12 2nya s TYR 499 CO -0.17 -0.05 -0.14 0.20 -1.57 0.00 0.00 175.55 173.82 2nya s GLY 500 N -1.14 1.04 0.26 0.71 0.00 -1.21 0.04 107.32 107.02 2nya s GLY 500 Ca -0.05 -0.75 -0.01 0.00 0.00 0.00 0.00 44.72 43.91 2nya s GLY 500 CO 0.00 0.34 0.36 1.16 0.00 0.00 0.00 173.10 174.97 2nya n ASN 501 N 4.38 0.42 0.23 1.64 2.04 -0.40 -2.51 115.26 121.06 2nya n ASN 501 Ca -0.18 -1.37 0.08 0.00 -0.44 0.00 0.00 54.58 52.67 2nya n ASN 501 Cb 0.51 -0.24 0.58 0.00 -2.53 0.00 0.00 39.78 38.10 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 -0.68 1.42 -0.98 -2.53 0.00 -1.77 -2.17 119.26 112.55 2nya h ALA 502 Ca -0.12 -0.17 -0.52 0.00 0.00 0.00 0.00 54.91 54.09 2nya h ALA 502 Cb 0.42 -0.03 -0.30 0.00 0.00 0.00 0.00 17.79 17.88 2nya h ALA 502 CO 0.12 0.24 0.67 -0.85 0.00 0.00 0.00 179.25 179.43 2nya n GLU 503 N -3.92 2.27 -0.98 0.00 0.28 -1.26 -4.63 120.64 112.40 2nya n GLU 503 Ca -0.02 -2.97 0.00 0.00 -0.16 0.00 0.00 57.16 54.01 2nya n GLU 503 Cb 0.28 -2.16 0.00 0.00 1.43 0.00 0.00 31.44 30.98 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 -1.09 -1.08 -2.57 3.44 1.74 -0.81 -4.79 116.66 111.49 2nya n ARG 504 Ca 0.59 0.27 -0.43 0.00 -0.77 0.00 0.00 57.85 57.51 2nya n ARG 504 Cb 1.56 -4.13 -0.02 0.00 -1.02 0.00 0.00 32.46 28.84 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 -1.13 4.00 -0.08 5.56 3.52 -1.26 -2.44 118.95 127.12 2nya s ARG 505 Ca 0.00 1.09 -0.24 0.00 -0.13 0.00 0.00 55.73 56.45 2nya s ARG 505 Cb 0.00 -3.79 -0.03 0.00 -1.56 0.00 0.00 34.95 29.56 2nya s ARG 505 CO 0.00 -1.00 0.73 0.99 -0.81 0.00 0.00 175.30 175.21 2nya s THR 506 N 3.92 5.02 -0.09 4.11 2.01 0.12 -1.28 115.64 129.44 2nya s THR 506 Ca 0.49 1.50 0.01 0.00 0.31 0.00 0.00 61.69 64.00 2nya s THR 506 Cb -0.13 -4.07 0.02 0.00 0.01 0.00 0.00 72.50 68.33 2nya s THR 506 CO 0.19 0.21 -0.11 -1.10 -0.69 0.00 0.00 174.62 173.12 2nya s GLN 507 N 1.02 1.74 0.51 4.92 -0.21 0.11 -2.26 119.66 125.49 2nya s GLN 507 Ca 0.38 -0.38 0.01 0.00 0.02 0.00 0.00 55.36 55.39 2nya s GLN 507 Cb -0.18 -1.58 0.02 0.00 1.00 0.00 0.00 33.01 32.28 2nya s GLN 507 CO 0.18 -0.11 0.73 -0.06 -2.12 0.00 0.00 175.29 173.92 2nya s PHE 508 N 1.13 2.98 -0.22 0.91 0.40 -1.26 -1.15 117.98 120.76 2nya s PHE 508 Ca -0.05 0.06 -0.16 0.00 -0.60 0.00 0.00 56.93 56.18 2nya s PHE 508 Cb -0.14 -2.60 0.06 0.00 0.51 0.00 0.00 43.02 40.85 2nya s PHE 508 CO -0.02 -0.69 0.56 1.67 0.70 0.00 0.00 175.22 177.44 2nya s TRP 509 N -2.68 -0.76 0.71 0.36 -2.14 -0.82 -4.35 118.94 109.26 2nya s TRP 509 Ca 0.54 1.66 -0.13 0.00 2.66 0.00 0.00 56.10 60.83 2nya s TRP 509 Cb -0.10 0.36 0.02 0.00 -3.10 0.00 0.00 33.47 30.66 2nya s TRP 509 CO 0.38 -0.39 1.09 1.03 -2.66 0.00 0.00 176.95 176.41 2nya s ARG 510 N 1.04 2.60 0.12 3.25 0.52 -1.26 -1.04 118.95 124.18 2nya s ARG 510 Ca -0.06 1.24 -0.31 0.00 -0.52 0.00 0.00 55.73 56.08 2nya s ARG 510 Cb -0.06 -1.94 -0.08 0.00 0.52 0.00 0.00 34.95 33.40 2nya s ARG 510 CO -0.10 -1.38 1.37 -1.14 0.02 0.00 0.00 175.30 174.07 2nya s GLN 511 N -4.55 4.34 -0.04 3.54 0.74 -1.24 -4.74 119.66 117.71 2nya s GLN 511 Ca 0.63 2.05 0.08 0.00 0.05 0.00 0.00 55.36 58.17 2nya s GLN 511 Cb -0.18 -3.25 -0.11 0.00 1.10 0.00 0.00 33.01 30.57 2nya s GLN 511 CO 0.49 -0.40 0.12 1.04 -0.55 0.00 0.00 175.29 175.99 2nya n GLN 512 N 3.75 1.24 -3.10 1.67 1.13 -0.50 -4.32 117.38 117.25 2nya n GLN 512 Ca 0.10 -0.05 -0.10 0.00 -1.94 0.00 0.00 57.00 55.02 2nya n GLN 512 Cb 0.43 -1.19 -0.04 0.00 0.11 0.00 0.00 30.24 29.54 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 -1.98 0.00 -4.49 5.09 0.24 -1.09 -4.93 118.33 111.18 2nya n VAL 513 Ca -0.06 -1.20 -0.21 0.00 -2.04 0.00 0.00 64.34 60.83 2nya n VAL 513 Cb 0.42 0.60 -0.14 0.00 -1.47 0.00 0.00 33.84 33.25 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 -2.67 1.03 0.48 7.34 -0.21 -1.26 -4.43 119.66 119.94 2nya s GLN 514 Ca 0.20 -0.64 -0.23 0.00 0.02 0.00 0.00 55.36 54.70 2nya s GLN 514 Cb 0.01 -1.02 -0.07 0.00 1.00 0.00 0.00 33.01 32.93 2nya s GLN 514 CO 0.14 0.27 1.30 0.00 -2.12 0.00 0.00 175.29 174.87 2nya s ALA 515 N -0.61 3.00 0.63 6.09 0.00 -1.26 -4.99 121.76 124.62 2nya s ALA 515 Ca 0.03 1.21 -0.18 0.00 0.00 0.00 0.00 51.96 53.02 2nya s ALA 515 Cb -0.07 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 2nya s ALA 515 CO 0.00 -1.03 1.29 -1.25 0.00 0.00 0.00 175.76 174.77 2nya s PRO 516 N -2.66 2.66 6.63 0.00 0.04 -1.26 -4.79 135.00 135.62 2nya s PRO 516 Ca 0.65 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.73 2nya s PRO 516 Cb -0.37 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2nya s PRO 516 CO 0.45 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 176.39 2nya n GLY 517 N 0.82 3.39 0.88 0.56 0.00 -1.26 -2.15 105.19 107.43 2nya n GLY 517 Ca 0.15 -0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.10 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 2.29 -1.68 1.61 1.02 -0.68 -5.00 120.64 132.20 2nya n GLU 518 Ca 0.00 -2.94 -0.45 0.00 -0.02 0.00 0.00 57.16 53.75 2nya n GLU 518 Cb 0.00 -1.79 -0.04 0.00 -0.02 0.00 0.00 31.44 29.59 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 -0.87 1.66 -2.44 0.62 0.00 -0.91 -4.85 120.51 113.73 2nya n ALA 519 Ca 0.25 0.42 -0.24 0.00 0.00 0.00 0.00 53.44 53.87 2nya n ALA 519 Cb 0.91 -2.40 -0.11 0.00 0.00 0.00 0.00 19.45 17.85 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 1.20 1.47 0.80 0.00 -0.14 -0.59 -4.37 119.74 118.10 2nya s LYS 520 Ca 0.79 -1.55 -0.11 0.00 -1.36 0.00 0.00 55.97 53.74 2nya s LYS 520 Cb -0.64 -1.63 0.07 0.00 -1.68 0.00 0.00 37.83 33.95 2nya s LYS 520 CO 0.37 0.33 1.09 -1.54 -0.76 0.00 0.00 175.35 174.84 2nya s SER 521 N -2.88 4.36 0.44 2.83 1.04 -1.26 0.17 113.70 118.39 2nya s SER 521 Ca 0.21 1.62 0.10 0.00 0.48 0.00 0.00 55.95 58.36 2nya s SER 521 Cb -0.06 -2.35 0.97 0.00 0.10 0.00 0.00 66.02 64.68 2nya s SER 521 CO 0.10 -2.10 2.06 0.44 0.98 0.00 0.00 173.24 174.73 2nya h ASP 522 N -1.17 0.36 -0.39 7.02 3.45 -1.97 -1.73 116.42 121.99 2nya h ASP 522 Ca -0.46 -0.01 -0.03 0.00 0.43 0.00 0.00 57.03 56.96 2nya h ASP 522 Cb 1.25 -0.09 -0.02 0.00 -0.56 0.00 0.00 39.33 39.91 2nya h ASP 522 CO 0.54 0.25 0.11 0.25 -1.57 0.00 0.00 179.24 178.83 2nya h LEU 523 N 0.42 0.58 0.32 1.55 5.85 -1.92 -1.58 115.31 120.53 2nya h LEU 523 Ca 0.14 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2nya h LEU 523 Cb 0.05 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.93 2nya h LEU 523 CO -0.03 0.65 -0.15 -0.25 -0.34 0.00 0.00 178.44 178.31 2nya h TRP 524 N 0.49 -0.40 -0.38 1.25 7.01 -1.80 -1.26 115.95 120.86 2nya h TRP 524 Ca 0.13 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.16 2nya h TRP 524 Cb 0.28 0.13 -0.07 0.00 -2.10 0.00 0.00 29.16 27.41 2nya h TRP 524 CO 0.01 -0.25 -0.42 1.96 -2.79 0.00 0.00 178.44 176.96 2nya h GLN 525 N -0.43 -0.23 -0.73 2.65 4.20 -1.18 0.39 115.11 119.77 2nya h GLN 525 Ca -0.04 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.71 2nya h GLN 525 Cb 0.33 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 2nya h GLN 525 CO 0.07 -0.16 0.46 -0.07 -0.67 0.00 0.00 178.83 178.47 2nya h LEU 526 N -0.24 0.77 0.09 1.46 3.38 -1.21 -1.67 115.31 117.88 2nya h LEU 526 Ca 0.07 -0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.74 2nya h LEU 526 Cb 0.42 -0.17 0.03 0.00 0.09 0.00 0.00 40.66 41.03 2nya h LEU 526 CO -0.49 0.53 -1.21 0.58 0.09 0.00 0.00 178.44 177.94 2nya h VAL 527 N 0.91 1.28 0.00 1.22 2.07 -0.84 -2.85 116.25 118.05 2nya h VAL 527 Ca 0.29 -2.43 -0.03 0.00 0.82 0.00 0.00 66.70 65.35 2nya h VAL 527 Cb 0.01 2.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2nya h VAL 527 CO -0.11 0.74 -0.16 1.56 0.02 0.00 0.00 177.57 179.62 2nya h GLN 528 N 0.30 0.00 -0.10 1.57 1.08 -0.13 -2.72 115.11 115.11 2nya h GLN 528 Ca -0.18 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 56.91 2nya h GLN 528 Cb 1.87 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.29 2nya h GLN 528 CO 0.23 0.16 -0.43 0.35 -0.95 0.00 0.00 178.83 178.19 2nya h PHE 529 N 0.00 0.29 0.00 2.96 3.57 -1.14 -2.84 116.94 119.78 2nya h PHE 529 Ca -0.00 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2nya h PHE 529 Cb 0.29 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.97 2nya h PHE 529 CO 0.00 0.64 0.00 0.66 -2.23 0.00 0.00 178.31 177.38 2nya h SER 530 N 0.20 0.00 0.88 0.41 4.64 -1.25 0.08 113.55 118.51 2nya h SER 530 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2nya h SER 530 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2nya h SER 530 CO 0.07 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.92 2nya n ARG 531 N -2.85 0.02 -0.03 4.77 1.85 -1.07 -1.72 116.66 117.62 2nya n ARG 531 Ca -0.01 0.09 0.08 0.00 -1.00 0.00 0.00 57.85 57.01 2nya n ARG 531 Cb 0.15 -1.53 0.39 0.00 -1.05 0.00 0.00 32.46 30.43 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 -1.56 1.23 -4.07 2.89 5.12 0.02 -4.79 116.66 115.49 2nya n ARG 532 Ca 0.06 -0.34 -0.17 0.00 -1.93 0.00 0.00 57.85 55.46 2nya n ARG 532 Cb 0.29 -1.27 -0.16 0.00 -1.16 0.00 0.00 32.46 30.17 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 -1.92 0.48 0.08 -1.55 0.40 -1.22 -5.05 117.98 109.21 2nya s PHE 533 Ca 0.24 -0.09 -0.11 0.00 -0.60 0.00 0.00 56.93 56.37 2nya s PHE 533 Cb 0.12 -0.44 -0.06 0.00 0.51 0.00 0.00 43.02 43.15 2nya s PHE 533 CO 0.19 -0.10 0.43 0.15 0.70 0.00 0.00 175.22 176.58 2nya s LYS 534 N 0.60 3.82 0.29 0.44 -0.14 -1.26 -1.49 119.74 122.00 2nya s LYS 534 Ca -0.07 0.26 -0.01 0.00 -1.36 0.00 0.00 55.97 54.79 2nya s LYS 534 Cb -0.10 -3.01 0.65 0.00 -1.68 0.00 0.00 37.83 33.69 2nya s LYS 534 CO -0.01 0.56 1.58 1.79 -0.76 0.00 0.00 175.35 178.51 2nya h THR 535 N 2.94 0.05 0.00 2.17 1.35 -0.34 0.50 112.91 119.58 2nya h THR 535 Ca -0.49 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2nya h THR 535 Cb 1.20 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 2nya h THR 535 CO 0.66 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.31 2nya n GLU 536 N -5.50 0.03 0.00 4.72 4.71 -1.26 -0.27 120.64 123.06 2nya n GLU 536 Ca 0.20 0.53 0.11 0.00 -0.01 0.00 0.00 57.16 57.99 2nya n GLU 536 Cb 0.67 -1.61 -0.02 0.00 -1.01 0.00 0.00 31.44 29.47 2nya n GLU 536 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2nya n GLU 537 N -1.67 0.11 0.00 3.49 1.02 0.17 -4.60 120.64 119.16 2nya n GLU 537 Ca -0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2nya n GLU 537 Cb 0.01 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 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 -1.38 0.00 -3.75 2.62 0.24 -0.59 -4.99 118.33 110.50 2nya n VAL 538 Ca 0.05 0.00 -0.37 0.00 -2.04 0.00 0.00 64.34 61.98 2nya n VAL 538 Cb 0.34 -0.44 -0.06 0.00 -1.47 0.00 0.00 33.84 32.21 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 -1.55 3.59 0.56 6.34 0.51 0.63 -4.84 118.94 124.17 2nya s TRP 539 Ca 0.00 0.61 -0.21 0.00 -2.12 0.00 0.00 56.10 54.38 2nya s TRP 539 Cb 0.00 -2.08 -0.04 0.00 -0.81 0.00 0.00 33.47 30.53 2nya s TRP 539 CO 0.00 0.61 1.28 -1.25 -0.51 0.00 0.00 176.95 177.09 2nya s PRO 540 N -0.72 3.11 0.26 4.98 0.04 -1.26 -4.60 135.00 136.82 2nya s PRO 540 Ca 0.16 2.04 -0.05 0.00 0.04 0.00 0.00 61.00 63.20 2nya s PRO 540 Cb -0.13 -2.14 0.51 0.00 0.04 0.00 0.00 34.50 32.78 2nya s PRO 540 CO 0.05 -1.15 1.63 1.49 0.04 0.00 0.00 177.00 179.06 2nya h GLU 541 N 1.29 0.11 0.00 4.56 4.57 -1.96 -0.40 114.58 122.74 2nya h GLU 541 Ca -0.51 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 2nya h GLU 541 Cb 1.30 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 2nya h GLU 541 CO 0.57 0.07 0.00 -0.40 -1.18 0.00 0.00 179.01 178.07 2nya n ASP 542 N -5.34 0.00 0.06 1.04 3.85 -1.26 -0.93 116.55 113.97 2nya n ASP 542 Ca 0.16 -0.22 -0.20 0.00 -0.71 0.00 0.00 54.79 53.81 2nya n ASP 542 Cb 0.53 -0.24 -0.14 0.00 -1.35 0.00 0.00 41.12 39.92 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 0.55 -1.12 -2.12 3.38 -1.45 -3.36 115.31 111.19 2nya h LEU 543 Ca 0.00 -0.92 -0.06 0.00 0.09 0.00 0.00 57.88 56.99 2nya h LEU 543 Cb 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2nya h LEU 543 CO 0.00 1.43 -0.04 -0.07 0.09 0.00 0.00 178.44 179.84 2nya h LEU 544 N -0.24 0.54 0.00 1.67 3.38 -1.02 -2.47 115.31 117.17 2nya h LEU 544 Ca -0.15 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2nya h LEU 544 Cb 1.69 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.30 2nya h LEU 544 CO 0.17 0.64 0.00 0.00 0.09 0.00 0.00 178.44 179.34 2nya n ALA 545 N -2.48 1.26 0.02 1.53 0.00 -0.10 -1.52 120.51 119.23 2nya n ALA 545 Ca 0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 2nya n ALA 545 Cb 0.28 -1.09 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 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 0.10 -2.46 0.00 1.57 -1.60 -3.41 116.57 110.78 2nya h LYS 546 Ca 0.00 -0.18 -0.59 0.00 -1.87 0.00 0.00 60.65 58.01 2nya h LYS 546 Cb 0.09 0.07 -0.38 0.00 0.08 0.00 0.00 32.23 32.08 2nya h LYS 546 CO 0.00 0.85 -0.93 0.15 -0.57 0.00 0.00 179.45 178.96 2nya s LYS 547 N -2.62 0.92 0.00 3.15 1.02 -0.57 -4.99 119.74 116.65 2nya s LYS 547 Ca -0.06 -2.02 0.13 0.00 0.02 0.00 0.00 55.97 54.03 2nya s LYS 547 Cb 0.08 -1.52 0.77 0.00 -0.52 0.00 0.00 37.83 36.64 2nya s LYS 547 CO 0.83 -1.34 1.20 -2.30 -0.92 0.00 0.00 175.35 172.81 2nya n PRO 548 N 3.04 0.41 0.00 -1.68 -0.02 -0.81 -2.17 135.00 133.78 2nya n PRO 548 Ca 0.25 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.87 2nya n PRO 548 Cb 0.45 -1.49 0.55 0.00 -0.02 0.00 0.00 33.50 32.98 2nya n PRO 548 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2nya n GLU 549 N -0.99 0.56 0.00 -0.52 0.00 -1.26 -3.11 120.64 115.31 2nya n GLU 549 Ca 0.10 -0.21 0.10 0.00 0.00 0.00 0.00 57.16 57.14 2nya n GLU 549 Cb 0.04 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.00 2nya n GLU 549 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2nya n LEU 550 N -1.04 2.04 -4.75 -1.84 4.77 -0.92 -4.94 117.00 110.32 2nya n LEU 550 Ca 0.12 -0.81 -0.40 0.00 -0.03 0.00 0.00 56.01 54.89 2nya n LEU 550 Cb 0.30 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 2nya n LEU 550 CO 0.25 0.37 1.03 0.54 -1.33 0.00 0.00 177.39 178.26 2nya n ARG 551 N 0.20 2.12 -0.84 3.23 1.74 -1.18 -2.31 116.66 119.62 2nya n ARG 551 Ca 0.09 0.76 0.00 0.00 -0.77 0.00 0.00 57.85 57.93 2nya n ARG 551 Cb 0.43 -2.59 0.00 0.00 -1.02 0.00 0.00 32.46 29.29 2nya n ARG 551 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nya n GLY 552 N 0.64 0.58 3.86 -0.13 0.00 -1.26 -5.01 105.19 103.86 2nya n GLY 552 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.43 3.93 0.46 1.61 1.02 -0.98 -4.88 119.74 120.47 2nya s LYS 553 Ca 0.00 0.48 -0.02 0.00 0.02 0.00 0.00 55.97 56.45 2nya s LYS 553 Cb 0.00 -2.68 -0.01 0.00 -0.52 0.00 0.00 37.83 34.61 2nya s LYS 553 CO 0.00 0.32 0.71 0.95 -0.92 0.00 0.00 175.35 176.41 2nya s THR 554 N -1.75 4.38 0.47 2.17 -4.23 -1.26 0.40 115.64 115.82 2nya s THR 554 Ca 0.46 -0.26 0.18 0.00 -1.18 0.00 0.00 61.69 60.89 2nya s THR 554 Cb -0.12 -3.64 0.23 0.00 1.34 0.00 0.00 72.50 70.31 2nya s THR 554 CO 0.20 -0.51 2.06 -0.07 -0.54 0.00 0.00 174.62 175.75 2nya h LEU 555 N 0.34 0.00 0.15 4.79 3.38 -0.95 -0.75 115.31 122.27 2nya h LEU 555 Ca -0.47 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 2nya h LEU 555 Cb 1.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2nya h LEU 555 CO 0.60 0.12 -0.25 0.22 0.09 0.00 0.00 178.44 179.22 2nya h TYR 556 N 0.00 -0.70 -0.66 1.13 3.20 -1.61 0.27 116.97 118.60 2nya h TYR 556 Ca -0.00 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.01 2nya h TYR 556 Cb 0.22 0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 2nya h TYR 556 CO 0.00 -0.30 0.45 0.93 -1.64 0.00 0.00 178.16 177.60 2nya h GLU 557 N -0.42 0.33 0.09 1.82 5.08 -1.75 -0.68 114.58 119.05 2nya h GLU 557 Ca -0.02 -0.02 -0.29 0.00 -1.00 0.00 0.00 59.36 58.03 2nya h GLU 557 Cb 0.39 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2nya h GLU 557 CO -0.08 0.22 -1.51 0.28 -1.00 0.00 0.00 179.01 176.92 2nya h VAL 558 N 0.34 1.16 0.00 3.13 2.07 -0.88 -3.20 116.25 118.88 2nya h VAL 558 Ca 0.32 -2.84 -0.05 0.00 0.82 0.00 0.00 66.70 64.95 2nya h VAL 558 Cb 0.77 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 33.24 2nya h VAL 558 CO -0.08 0.80 -1.71 0.18 0.02 0.00 0.00 177.57 176.77 2nya n LEU 559 N -3.39 0.00 0.00 2.57 4.77 0.92 -4.76 117.00 117.11 2nya n LEU 559 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2nya n LEU 559 Cb 1.03 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 42.19 2nya n LEU 559 CO 0.49 0.07 -0.26 -1.22 -1.33 0.00 0.00 177.39 175.14 2nya n TYR 560 N -2.10 0.00 -2.04 -1.77 4.02 -0.32 -4.80 117.16 110.14 2nya n TYR 560 Ca -0.07 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.70 2nya n TYR 560 Cb 0.49 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.88 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 -0.83 4.26 -1.67 -0.72 0.00 -0.86 -4.49 120.51 116.20 2nya n ALA 561 Ca 0.00 -3.47 -0.31 0.00 0.00 0.00 0.00 53.44 49.66 2nya n ALA 561 Cb 0.02 -0.42 0.04 0.00 0.00 0.00 0.00 19.45 19.09 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 -3.94 4.24 0.35 0.00 -4.23 -1.21 -4.81 115.64 106.04 2nya s THR 562 Ca 0.44 0.74 0.12 0.00 -1.18 0.00 0.00 61.69 61.81 2nya s THR 562 Cb 0.39 -3.55 0.34 0.00 1.34 0.00 0.00 72.50 71.02 2nya s THR 562 CO -0.01 -0.94 1.76 -0.65 -0.54 0.00 0.00 174.62 174.24 2nya h PRO 563 N -0.54 0.54 0.13 3.99 0.11 -1.94 0.35 132.00 134.64 2nya h PRO 563 Ca -0.44 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2nya h PRO 563 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2nya h PRO 563 CO 0.58 0.36 -0.06 0.93 -0.21 0.00 0.00 178.00 179.60 2nya h GLU 564 N 0.55 -0.17 0.00 1.05 4.39 -1.98 -1.50 114.58 116.92 2nya h GLU 564 Ca 0.61 0.01 -0.04 0.00 0.34 0.00 0.00 59.36 60.28 2nya h GLU 564 Cb 1.24 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 2nya h GLU 564 CO -0.38 0.22 -0.18 0.28 -1.16 0.00 0.00 179.01 177.79 2nya h VAL 565 N -0.62 0.79 -0.51 3.13 2.07 -1.74 -2.87 116.25 116.51 2nya h VAL 565 Ca -0.02 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 2nya h VAL 565 Cb 0.47 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2nya h VAL 565 CO 0.03 0.18 0.01 -1.54 0.02 0.00 0.00 177.57 176.27 2nya n SER 566 N -3.83 5.28 -0.34 0.57 3.41 0.08 -4.11 113.62 114.68 2nya n SER 566 Ca -0.02 -2.98 0.10 0.00 -0.26 0.00 0.00 58.87 55.72 2nya n SER 566 Cb 0.28 -0.66 0.28 0.00 -0.26 0.00 0.00 64.21 63.85 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 3.43 0.77 -5.48 4.33 1.57 -1.03 -3.42 116.57 116.74 2nya h LYS 567 Ca 0.01 -0.05 -0.63 0.00 -1.87 0.00 0.00 60.65 58.11 2nya h LYS 567 Cb 1.88 -0.17 -0.13 0.00 0.08 0.00 0.00 32.23 33.88 2nya h LYS 567 CO 0.44 0.51 0.14 -0.06 -0.57 0.00 0.00 179.45 179.92 2nya s PHE 568 N -5.91 3.14 0.49 -1.35 0.40 -1.26 -5.02 117.98 108.47 2nya s PHE 568 Ca -0.12 0.32 -0.20 0.00 -0.60 0.00 0.00 56.93 56.33 2nya s PHE 568 Cb 0.24 -3.15 -0.08 0.00 0.51 0.00 0.00 43.02 40.53 2nya s PHE 568 CO 0.80 -0.64 1.04 -1.25 0.70 0.00 0.00 175.22 175.86 2nya s PRO 569 N 2.72 3.79 0.58 0.24 0.04 -1.26 0.41 135.00 141.51 2nya s PRO 569 Ca 0.24 1.35 0.29 0.00 0.04 0.00 0.00 61.00 62.92 2nya s PRO 569 Cb -0.14 -2.09 1.50 0.00 0.04 0.00 0.00 34.50 33.80 2nya s PRO 569 CO 0.15 -0.44 1.94 0.28 0.04 0.00 0.00 177.00 178.97 2nya h VAL 570 N 1.52 0.43 -0.13 -0.36 2.07 -1.86 -2.38 116.25 115.53 2nya h VAL 570 Ca -0.49 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.06 2nya h VAL 570 Cb 1.22 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2nya h VAL 570 CO 0.59 0.00 0.16 0.77 0.02 0.00 0.00 177.57 179.11 2nya h SER 571 N 0.00 0.00 -0.27 0.57 4.64 -1.96 0.18 113.55 116.71 2nya h SER 571 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2nya h SER 571 Cb 1.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 2nya h SER 571 CO -0.00 0.00 0.18 -0.33 -0.87 0.00 0.00 176.83 175.81 2nya h GLU 572 N 0.00 0.36 -6.86 4.77 5.08 -1.82 -3.43 114.58 112.68 2nya h GLU 572 Ca 0.06 -0.02 -0.52 0.00 -1.00 0.00 0.00 59.36 57.88 2nya h GLU 572 Cb 0.38 -0.08 0.05 0.00 0.50 0.00 0.00 28.75 29.60 2nya h GLU 572 CO -0.00 0.24 0.59 -0.51 -1.00 0.00 0.00 179.01 178.32 2nya s LEU 573 N -9.35 4.46 0.36 1.33 1.43 0.05 -5.00 118.68 111.97 2nya s LEU 573 Ca -0.07 2.56 -0.24 0.00 -1.03 0.00 0.00 54.13 55.35 2nya s LEU 573 Cb 0.17 -3.64 -0.14 0.00 0.03 0.00 0.00 46.19 42.61 2nya s LEU 573 CO 0.71 -0.42 0.63 0.00 0.23 0.00 0.00 176.35 177.50 2nya n ALA 574 N 0.93 -1.48 -0.09 4.21 0.00 -1.26 -4.86 120.51 117.95 2nya n ALA 574 Ca -0.00 0.25 0.15 0.00 0.00 0.00 0.00 53.44 53.84 2nya n ALA 574 Cb 0.43 -1.79 0.55 0.00 0.00 0.00 0.00 19.45 18.64 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 1.07 0.29 -0.41 0.00 4.81 -1.94 -1.79 114.58 116.61 2nya h GLU 575 Ca -0.38 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 2nya h GLU 575 Cb 1.39 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.71 2nya h GLU 575 CO 0.54 0.19 0.00 -0.40 -0.73 0.00 0.00 179.01 178.61 2nya n ASP 576 N -4.45 3.19 -4.68 1.04 5.75 -1.26 -4.96 116.55 111.17 2nya n ASP 576 Ca 0.11 -2.07 -0.42 0.00 -0.01 0.00 0.00 54.79 52.40 2nya n ASP 576 Cb 0.49 -0.30 -0.03 0.00 -1.03 0.00 0.00 41.12 40.26 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 -1.13 4.39 0.28 0.11 0.74 -0.68 -5.03 119.66 118.33 2nya s GLN 577 Ca 0.29 1.30 -0.29 0.00 0.05 0.00 0.00 55.36 56.70 2nya s GLN 577 Cb 0.16 -3.55 -0.10 0.00 1.10 0.00 0.00 33.01 30.62 2nya s GLN 577 CO 0.18 -0.32 1.35 -0.51 -0.55 0.00 0.00 175.29 175.44 2nya s LEU 578 N 2.06 4.41 -0.42 3.68 2.01 -1.26 -4.89 118.68 124.27 2nya s LEU 578 Ca 0.46 2.62 0.01 0.00 0.01 0.00 0.00 54.13 57.22 2nya s LEU 578 Cb -0.18 -3.63 0.20 0.00 0.01 0.00 0.00 46.19 42.59 2nya s LEU 578 CO 0.16 -0.59 0.89 0.21 1.01 0.00 0.00 176.35 178.03 2nya s ASN 579 N -0.04 -0.92 0.17 2.29 3.04 -1.26 -4.25 114.94 113.96 2nya s ASN 579 Ca 0.54 -0.98 -0.17 0.00 0.04 0.00 0.00 52.86 52.30 2nya s ASN 579 Cb -0.40 1.20 0.10 0.00 -1.54 0.00 0.00 41.25 40.61 2nya s ASN 579 CO 0.47 -0.05 1.68 0.44 -3.04 0.00 0.00 177.10 176.60 2nya h ASP 580 N 4.95 -0.28 0.44 -4.21 3.32 -1.94 0.16 116.42 118.86 2nya h ASP 580 Ca 0.03 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2nya h ASP 580 Cb 1.15 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.92 2nya h ASP 580 CO -0.03 -0.10 -0.21 -0.33 -1.72 0.00 0.00 179.24 176.85 2nya h GLU 581 N 0.04 -0.58 -0.56 3.56 3.07 -1.98 0.84 114.58 118.98 2nya h GLU 581 Ca 0.19 0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 59.00 2nya h GLU 581 Cb 0.29 0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 2nya h GLU 581 CO -0.37 -0.37 0.02 0.77 -1.40 0.00 0.00 179.01 177.65 2nya h SER 582 N -0.62 0.96 0.26 1.42 0.02 -1.71 0.22 113.55 114.10 2nya h SER 582 Ca -0.06 -0.30 -0.07 0.00 -0.84 0.00 0.00 61.79 60.52 2nya h SER 582 Cb 0.47 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2nya h SER 582 CO 0.10 1.02 -0.29 0.03 -1.14 0.00 0.00 176.83 176.55 2nya h ARG 583 N 0.87 0.06 0.16 3.45 3.08 -0.66 0.21 114.38 121.55 2nya h ARG 583 Ca 0.16 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 2nya h ARG 583 Cb 0.52 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2nya h ARG 583 CO 0.03 0.36 -0.08 1.49 -1.07 0.00 0.00 179.97 180.69 2nya h GLU 584 N 0.06 -0.21 0.00 0.04 4.81 -0.03 -3.34 114.58 115.92 2nya h GLU 584 Ca 0.01 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2nya h GLU 584 Cb 0.55 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.98 2nya h GLU 584 CO 0.04 0.20 0.00 1.28 -0.73 0.00 0.00 179.01 179.80 2nya n LEU 585 N -4.91 0.00 -0.07 1.64 4.77 0.69 -4.90 117.00 114.22 2nya n LEU 585 Ca -0.07 0.35 -0.01 0.00 -0.03 0.00 0.00 56.01 56.25 2nya n LEU 585 Cb 0.25 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2nya n LEU 585 CO 0.23 -0.03 -0.01 0.61 -1.33 0.00 0.00 177.39 176.86 2nya n GLY 586 N 1.14 0.47 3.37 -0.72 0.00 0.71 -5.03 105.19 105.13 2nya n GLY 586 Ca 0.11 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.03 -0.10 -1.18 1.61 -0.12 -1.03 -4.41 117.98 110.72 2nya s PHE 587 Ca 0.00 -0.23 -0.21 0.00 -0.05 0.00 0.00 56.93 56.44 2nya s PHE 587 Cb 0.00 0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.60 2nya s PHE 587 CO 0.00 -0.76 1.90 0.98 -0.05 0.00 0.00 175.22 177.29 2nya n TYR 588 N -0.25 3.23 -0.11 3.49 -0.00 0.17 -4.33 117.16 119.35 2nya n TYR 588 Ca -0.13 -2.03 -0.05 0.00 -0.00 0.00 0.00 57.90 55.69 2nya n TYR 588 Cb 0.63 -2.49 0.02 0.00 -0.00 0.00 0.00 39.34 37.51 2nya n TYR 588 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.86 178.11 2nya h LEU 589 N 15.09 -0.04 -0.66 2.98 5.85 -1.85 -2.32 115.31 134.36 2nya h LEU 589 Ca 0.34 0.07 0.05 0.00 0.84 0.00 0.00 57.88 59.18 2nya h LEU 589 Cb 0.86 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 2nya h LEU 589 CO 1.45 0.02 0.38 1.56 -0.34 0.00 0.00 178.44 181.51 2nya h GLN 590 N 0.17 0.70 -0.11 1.25 7.50 -1.94 -2.34 115.11 120.34 2nya h GLN 590 Ca 0.18 -0.04 -0.18 0.00 0.50 0.00 0.00 58.65 59.11 2nya h GLN 590 Cb 0.22 -0.16 -0.00 0.00 0.05 0.00 0.00 27.48 27.59 2nya h GLN 590 CO -0.26 0.47 -0.66 -0.22 -1.50 0.00 0.00 178.83 176.66 2nya h LYS 591 N 0.72 0.46 -0.31 1.46 3.64 -1.87 0.58 116.57 121.24 2nya h LYS 591 Ca 0.28 -0.34 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 2nya h LYS 591 Cb 0.12 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2nya h LYS 591 CO -0.15 0.96 -0.10 0.78 -2.27 0.00 0.00 179.45 178.67 2nya h GLY 592 N 1.19 0.67 0.97 5.01 0.00 -1.24 0.36 103.07 110.04 2nya h GLY 592 Ca -0.02 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 2nya h GLY 592 CO 0.12 0.52 0.19 1.41 0.00 0.00 0.00 176.54 178.78 2nya h LEU 593 N 0.39 0.38 -0.81 3.11 3.38 -1.44 -1.62 115.31 118.70 2nya h LEU 593 Ca 0.08 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2nya h LEU 593 Cb 0.60 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 2nya h LEU 593 CO 0.04 0.33 0.51 0.15 0.09 0.00 0.00 178.44 179.55 2nya h PHE 594 N 0.40 1.04 0.00 1.13 3.57 -0.36 -0.63 116.94 122.09 2nya h PHE 594 Ca 0.11 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 2nya h PHE 594 Cb 0.02 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 2nya h PHE 594 CO -0.04 0.68 -0.51 0.93 -2.23 0.00 0.00 178.31 177.14 2nya h GLU 595 N 1.10 0.00 -0.01 1.11 4.39 -0.10 0.16 114.58 121.23 2nya h GLU 595 Ca 0.29 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.76 2nya h GLU 595 Cb -0.08 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2nya h GLU 595 CO -0.06 0.51 -0.94 1.49 -1.16 0.00 0.00 179.01 178.85 2nya h GLU 596 N 0.00 0.48 -0.16 2.33 4.81 -1.14 -3.15 114.58 117.75 2nya h GLU 596 Ca -0.01 -0.51 -0.13 0.00 -0.13 0.00 0.00 59.36 58.59 2nya h GLU 596 Cb 1.18 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.70 2nya h GLU 596 CO 0.07 1.15 -0.39 -0.92 -0.73 0.00 0.00 179.01 178.18 2nya h TYR 597 N 0.28 0.71 -0.11 0.92 3.20 -0.77 -3.20 116.97 118.00 2nya h TYR 597 Ca -0.09 -0.27 0.01 0.00 3.14 0.00 0.00 58.73 61.53 2nya h TYR 597 Cb 1.58 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.71 2nya h TYR 597 CO 0.07 1.02 0.07 0.00 -1.64 0.00 0.00 178.16 177.68 2nya h ALA 598 N 0.56 1.97 -0.98 1.82 0.00 -0.76 -2.69 119.26 119.18 2nya h ALA 598 Ca -0.00 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.11 2nya h ALA 598 Cb 1.00 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 2nya h ALA 598 CO 0.09 0.02 0.62 2.35 0.00 0.00 0.00 179.25 182.32 2nya h TRP 599 N 0.11 0.79 -0.44 0.00 7.01 -1.54 -2.11 115.95 119.77 2nya h TRP 599 Ca 0.04 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 2nya h TRP 599 Cb 0.04 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 26.84 2nya h TRP 599 CO -0.00 0.17 0.25 0.74 -2.79 0.00 0.00 178.44 176.81 2nya h PHE 600 N 0.56 0.59 0.00 2.65 -1.00 -1.65 -3.30 116.94 114.79 2nya h PHE 600 Ca 0.54 -0.01 -0.26 0.00 2.81 0.00 0.00 57.97 61.05 2nya h PHE 600 Cb 1.12 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 40.45 2nya h PHE 600 CO -0.00 0.43 -1.61 0.78 -1.61 0.00 0.00 178.31 176.30 2nya h GLY 601 N 0.58 0.00 -5.19 -1.45 0.00 -1.59 -3.43 103.07 91.99 2nya h GLY 601 Ca 0.16 0.00 -0.64 0.00 0.00 0.00 0.00 47.33 46.85 2nya h GLY 601 CO -0.03 0.00 0.56 0.54 0.00 0.00 0.00 176.54 177.61 2nya n ARG 602 N -3.02 1.55 -0.93 4.80 1.74 -0.90 -0.56 116.66 119.35 2nya n ARG 602 Ca -0.15 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 2nya n ARG 602 Cb 1.00 -2.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 2nya n ARG 602 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2nya n GLY 603 N 2.74 0.48 1.06 -0.13 0.00 -1.26 -4.85 105.19 103.23 2nya n GLY 603 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.38 0.06 -0.23 1.61 8.25 0.28 -4.99 115.22 117.81 2nya n HIS 604 Ca 0.00 -1.07 0.00 0.00 -0.26 0.00 0.00 57.72 56.39 2nya n HIS 604 Cb 0.10 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.00 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 -0.37 1.38 0.38 -1.41 0.00 -1.23 -4.87 105.19 99.07 2nya n GLY 605 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.19 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 0.27 -1.14 1.61 -0.00 -1.13 -4.41 115.22 108.42 2nya n HIS 606 Ca 0.00 -0.49 -0.53 0.00 -0.00 0.00 0.00 57.72 56.70 2nya n HIS 606 Cb 0.00 -0.04 -0.11 0.00 -0.00 0.00 0.00 29.99 29.85 2nya n HIS 606 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2nya n ASP 607 N 0.12 0.65 -4.81 0.41 8.00 -1.21 -4.68 116.55 115.02 2nya n ASP 607 Ca 0.07 0.58 -0.39 0.00 0.71 0.00 0.00 54.79 55.77 2nya n ASP 607 Cb 0.35 -0.81 -0.06 0.00 -0.02 0.00 0.00 41.12 40.58 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 5.55 4.53 0.85 0.64 1.43 -1.26 -0.35 118.68 130.07 2nya s LEU 608 Ca 1.09 1.28 -0.11 0.00 -1.03 0.00 0.00 54.13 55.36 2nya s LEU 608 Cb -1.33 -2.92 0.11 0.00 0.03 0.00 0.00 46.19 42.07 2nya s LEU 608 CO 0.58 0.27 1.16 0.00 0.23 0.00 0.00 176.35 178.59 2nya s ALA 609 N -1.09 1.73 0.02 4.21 0.00 -1.26 -4.87 121.76 120.50 2nya s ALA 609 Ca 0.29 0.65 -0.37 0.00 0.00 0.00 0.00 51.96 52.54 2nya s ALA 609 Cb -0.20 -3.44 -0.16 0.00 0.00 0.00 0.00 23.12 19.32 2nya s ALA 609 CO 0.19 -2.42 1.49 -2.30 0.00 0.00 0.00 175.76 172.72 2nya n PRO 610 N -3.74 1.36 -0.05 0.00 -0.02 -1.26 -4.82 135.00 126.47 2nya n PRO 610 Ca 0.12 0.49 -0.01 0.00 -2.02 0.00 0.00 63.50 62.08 2nya n PRO 610 Cb 0.52 -2.18 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 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 3.45 -0.05 0.32 6.00 7.35 -1.26 0.06 117.46 133.33 2nya n PHE 611 Ca 0.20 0.14 0.21 0.00 -0.76 0.00 0.00 57.45 57.24 2nya n PHE 611 Cb 0.20 -0.39 1.12 0.00 0.35 0.00 0.00 39.48 40.77 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 0.05 -2.13 3.32 -2.00 -1.82 116.42 113.84 2nya h ASP 612 Ca 0.02 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 2nya h ASP 612 Cb 0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2nya h ASP 612 CO -0.10 0.00 -0.31 0.44 -1.72 0.00 0.00 179.24 177.55 2nya h ASP 613 N 0.00 0.38 0.41 6.45 3.45 -0.71 -3.15 116.42 123.25 2nya h ASP 613 Ca 0.00 -0.14 -0.15 0.00 0.43 0.00 0.00 57.03 57.17 2nya h ASP 613 Cb 0.05 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.70 2nya h ASP 613 CO 0.00 0.68 -0.63 1.88 -1.57 0.00 0.00 179.24 179.60 2nya h TYR 614 N 0.33 0.27 0.00 4.55 -1.99 -1.42 -2.21 116.97 116.50 2nya h TYR 614 Ca 0.04 -0.11 0.00 0.00 2.00 0.00 0.00 58.73 60.67 2nya h TYR 614 Cb 0.71 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.39 2nya h TYR 614 CO 0.02 0.78 0.00 0.72 -0.00 0.00 0.00 178.16 179.67 2nya n HIS 615 N -3.85 0.74 -0.13 4.88 8.25 -1.19 -3.26 115.22 120.66 2nya n HIS 615 Ca -0.02 0.35 -0.27 0.00 -0.26 0.00 0.00 57.72 57.51 2nya n HIS 615 Cb 0.63 -1.06 -0.11 0.00 1.12 0.00 0.00 29.99 30.58 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 -2.23 0.59 -1.47 -0.41 5.02 -1.01 -5.03 118.16 113.63 2nya n LYS 616 Ca 0.00 0.31 -0.32 0.00 -2.02 0.00 0.00 58.31 56.28 2nya n LYS 616 Cb 0.11 -1.55 0.08 0.00 -0.02 0.00 0.00 35.03 33.65 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 -2.48 2.30 -0.20 7.82 0.00 -0.86 -4.94 121.76 123.39 2nya s ALA 617 Ca -0.36 0.46 -0.05 0.00 0.00 0.00 0.00 51.96 52.01 2nya s ALA 617 Cb 0.13 -3.32 -0.12 0.00 0.00 0.00 0.00 23.12 19.81 2nya s ALA 617 CO 0.52 -1.61 3.24 0.54 0.00 0.00 0.00 175.76 178.46 2nya n ARG 618 N -3.00 2.18 0.00 0.00 3.00 -1.26 -4.87 116.66 112.71 2nya n ARG 618 Ca 0.10 -1.61 0.00 0.00 -0.01 0.00 0.00 57.85 56.34 2nya n ARG 618 Cb 0.52 -2.06 0.00 0.00 0.00 0.00 0.00 32.46 30.92 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 1.77 -0.44 2.83 -0.13 0.00 -1.26 -4.71 105.19 103.25 2nya n GLY 619 Ca 0.46 -1.60 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.97 1.42 -0.24 0.99 1.43 -0.96 -4.93 118.68 114.42 2nya s LEU 620 Ca 0.00 -0.00 -0.24 0.00 -1.03 0.00 0.00 54.13 52.86 2nya s LEU 620 Cb 0.00 -0.12 -0.01 0.00 0.03 0.00 0.00 46.19 46.09 2nya s LEU 620 CO 0.00 -0.07 0.81 -0.13 0.23 0.00 0.00 176.35 177.19 2nya s ARG 621 N 0.68 4.18 0.60 1.70 0.52 -1.26 -0.71 118.95 124.66 2nya s ARG 621 Ca -0.06 0.90 -0.09 0.00 -0.52 0.00 0.00 55.73 55.96 2nya s ARG 621 Cb -0.09 -3.64 -0.03 0.00 0.52 0.00 0.00 34.95 31.71 2nya s ARG 621 CO -0.02 -0.50 0.97 1.67 0.02 0.00 0.00 175.30 177.44 2nya s TRP 622 N 2.80 3.54 0.23 -0.53 1.48 -1.02 -1.40 118.94 124.03 2nya s TRP 622 Ca 0.34 1.09 -0.30 0.00 -1.06 0.00 0.00 56.10 56.17 2nya s TRP 622 Cb -0.15 -2.68 -0.10 0.00 -1.16 0.00 0.00 33.47 29.38 2nya s TRP 622 CO 0.07 -0.68 1.44 -1.25 -4.06 0.00 0.00 176.95 172.48 2nya s PRO 623 N -5.09 4.27 -0.33 3.25 0.04 -1.26 -4.57 135.00 131.31 2nya s PRO 623 Ca 0.54 2.28 -0.10 0.00 0.04 0.00 0.00 61.00 63.76 2nya s PRO 623 Cb -0.11 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.31 2nya s PRO 623 CO 0.51 -0.43 0.16 0.08 0.04 0.00 0.00 177.00 177.36 2nya s VAL 624 N 0.15 4.50 -0.08 -0.36 1.01 0.53 -2.51 120.40 123.64 2nya s VAL 624 Ca 0.60 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 2nya s VAL 624 Cb -0.41 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.63 2nya s VAL 624 CO 0.41 -0.03 -0.02 -0.69 0.00 0.00 0.00 175.10 174.77 2nya s VAL 625 N 1.58 0.58 -1.33 2.92 1.01 -0.86 -4.53 120.40 119.76 2nya s VAL 625 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 2nya s VAL 625 Cb -0.18 -0.69 -0.00 0.00 0.00 0.00 0.00 36.38 35.51 2nya s VAL 625 CO 0.06 0.29 0.59 0.59 0.00 0.00 0.00 175.10 176.63 2nya n ASN 626 N 5.04 -1.08 0.00 3.32 3.02 -1.26 -2.24 115.26 122.06 2nya n ASN 626 Ca -0.09 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 2nya n ASN 626 Cb 0.50 -3.61 0.00 0.00 -0.61 0.00 0.00 39.78 36.06 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 -1.75 2.38 3.31 7.41 0.00 -1.26 -4.99 105.19 110.29 2nya n GLY 627 Ca -0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.26 3.35 0.58 1.61 2.20 -0.95 -5.09 119.74 121.18 2nya s LYS 628 Ca 0.00 -0.65 -0.09 0.00 -0.36 0.00 0.00 55.97 54.87 2nya s LYS 628 Cb 0.00 -2.90 -0.04 0.00 -1.51 0.00 0.00 37.83 33.38 2nya s LYS 628 CO 0.00 -0.11 0.96 -1.83 -0.36 0.00 0.00 175.35 174.01 2nya s GLU 629 N 1.22 3.59 -0.20 4.03 -1.05 -1.26 -2.04 118.70 122.99 2nya s GLU 629 Ca 0.02 0.60 -0.04 0.00 -0.15 0.00 0.00 54.97 55.40 2nya s GLU 629 Cb -0.14 -2.17 -0.02 0.00 -0.44 0.00 0.00 34.13 31.36 2nya s GLU 629 CO -0.02 -0.46 -0.03 0.99 0.95 0.00 0.00 175.26 176.69 2nya s THR 630 N -3.04 3.64 -0.18 1.83 2.01 -0.50 -4.95 115.64 114.45 2nya s THR 630 Ca 0.53 -0.42 -0.09 0.00 0.31 0.00 0.00 61.69 62.02 2nya s THR 630 Cb -0.11 -2.64 -0.22 0.00 0.01 0.00 0.00 72.50 69.55 2nya s THR 630 CO 0.51 0.44 0.15 0.00 -0.69 0.00 0.00 174.62 175.03 2nya n GLN 631 N 4.37 0.68 -4.84 4.92 6.02 -1.26 -4.53 117.38 122.75 2nya n GLN 631 Ca -0.18 0.31 -0.30 0.00 -0.01 0.00 0.00 57.00 56.82 2nya n GLN 631 Cb 0.52 -1.66 -0.17 0.00 1.02 0.00 0.00 30.24 29.95 2nya n GLN 631 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2nya s TRP 632 N -2.50 2.30 -0.13 1.08 0.51 -1.26 -3.89 118.94 115.05 2nya s TRP 632 Ca -0.28 -1.02 -0.06 0.00 -2.12 0.00 0.00 56.10 52.63 2nya s TRP 632 Cb 0.08 -1.58 -0.04 0.00 -0.81 0.00 0.00 33.47 31.12 2nya s TRP 632 CO 0.67 -0.46 0.08 1.03 -0.51 0.00 0.00 176.95 177.77 2nya s ARG 633 N 0.64 3.48 0.00 4.98 0.52 0.10 -3.64 118.95 125.03 2nya s ARG 633 Ca -0.13 -0.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.81 2nya s ARG 633 Cb -0.16 -3.09 0.00 0.00 0.52 0.00 0.00 34.95 32.22 2nya s ARG 633 CO 0.03 0.61 0.00 0.66 0.02 0.00 0.00 175.30 176.62 2nya n TYR 634 N 2.49 0.00 -4.45 -0.53 4.01 -1.26 -4.66 117.16 112.75 2nya n TYR 634 Ca -0.19 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.21 2nya n TYR 634 Cb 0.54 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.47 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 -2.94 5.06 0.37 7.72 1.04 -1.26 -1.37 113.70 122.31 2nya s SER 635 Ca 0.00 0.09 -0.27 0.00 0.48 0.00 0.00 55.95 56.26 2nya s SER 635 Cb 0.00 -1.38 -0.12 0.00 0.10 0.00 0.00 66.02 64.63 2nya s SER 635 CO 0.00 0.37 1.17 1.21 0.98 0.00 0.00 173.24 176.97 2nya n GLU 636 N 2.15 1.77 0.00 4.02 2.13 0.08 -2.59 120.64 128.20 2nya n GLU 636 Ca -0.18 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.26 2nya n GLU 636 Cb 0.53 -2.19 0.00 0.00 0.27 0.00 0.00 31.44 30.05 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 0.95 2.01 0.08 8.31 0.00 -1.26 -4.75 105.19 110.52 2nya n GLY 637 Ca 0.07 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.19 1.61 2.35 -1.77 -3.45 115.58 111.12 2nya h ASN 638 Ca 0.00 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.11 2nya h ASN 638 Cb 0.00 0.00 -0.36 0.00 0.05 0.00 0.00 38.32 38.01 2nya h ASN 638 CO 0.00 0.94 -0.84 -0.62 -1.65 0.00 0.00 177.43 175.26 2nya s ASP 639 N -6.36 3.15 0.00 5.81 3.68 -1.12 -4.60 116.67 117.24 2nya s ASP 639 Ca -0.02 -0.70 0.15 0.00 2.13 0.00 0.00 52.55 54.11 2nya s ASP 639 Cb 0.09 -1.37 0.87 0.00 -1.45 0.00 0.00 42.92 41.06 2nya s ASP 639 CO 0.82 -0.05 1.29 -0.81 0.13 0.00 0.00 175.17 176.55 2nya n PRO 640 N 4.66 0.45 0.00 4.34 -0.04 -1.26 -1.35 135.00 141.79 2nya n PRO 640 Ca -0.18 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.41 2nya n PRO 640 Cb 0.49 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.01 0.00 -3.57 0.54 4.01 -1.26 -4.81 117.16 111.06 2nya n TYR 641 Ca 0.11 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.47 2nya n TYR 641 Cb 0.05 -0.08 -0.10 0.00 -0.31 0.00 0.00 39.34 38.90 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 -2.48 5.30 0.90 -0.72 1.01 -0.46 -5.01 120.40 118.94 2nya s VAL 642 Ca 0.23 0.30 -0.12 0.00 0.00 0.00 0.00 61.98 62.39 2nya s VAL 642 Cb 0.19 -3.57 0.13 0.00 0.00 0.00 0.00 36.38 33.14 2nya s VAL 642 CO 0.53 0.28 1.11 -0.54 0.00 0.00 0.00 175.10 176.48 2nya s LYS 643 N 1.47 1.21 0.18 2.72 1.02 -1.26 -4.73 119.74 120.35 2nya s LYS 643 Ca 0.10 0.48 -0.32 0.00 0.02 0.00 0.00 55.97 56.25 2nya s LYS 643 Cb -0.15 -1.83 -0.12 0.00 -0.52 0.00 0.00 37.83 35.21 2nya s LYS 643 CO 0.08 -2.19 1.72 0.00 -0.92 0.00 0.00 175.35 174.05 2nya n ALA 644 N -3.79 2.51 -0.78 5.17 0.00 -1.26 -3.19 120.51 119.18 2nya n ALA 644 Ca 0.06 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2nya n ALA 644 Cb 0.58 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.52 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 3.94 0.80 0.20 0.00 0.00 -1.26 -4.90 105.19 103.96 2nya n GLY 645 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 2nya n GLY 645 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2nya h GLU 646 N 2.86 0.00 0.00 1.61 5.08 -1.93 -3.47 114.58 118.72 2nya h GLU 646 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2nya h GLU 646 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2nya h GLU 646 CO 0.00 0.06 0.00 0.41 -1.00 0.00 0.00 179.01 178.48 2nya n GLY 647 N 1.13 0.80 2.75 -3.84 0.00 -1.26 -4.65 105.19 100.12 2nya n GLY 647 Ca 0.03 -0.01 -0.16 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 0.08 -0.18 1.61 1.51 -1.26 -0.74 117.35 118.37 2nya s TYR 648 Ca 0.00 0.14 0.01 0.00 -1.01 0.00 0.00 57.07 56.20 2nya s TYR 648 Cb 0.00 -0.32 0.04 0.00 -0.11 0.00 0.00 41.96 41.57 2nya s TYR 648 CO 0.00 -0.12 -0.11 0.21 -1.11 0.00 0.00 175.55 174.42 2nya s LYS 649 N 1.32 2.03 -1.21 -0.62 2.20 -0.47 -4.97 119.74 118.02 2nya s LYS 649 Ca -0.06 -0.73 -0.10 0.00 -0.36 0.00 0.00 55.97 54.72 2nya s LYS 649 Cb -0.13 -2.28 0.20 0.00 -1.51 0.00 0.00 37.83 34.11 2nya s LYS 649 CO -0.03 -0.38 1.57 1.19 -0.36 0.00 0.00 175.35 177.35 2nya n PHE 650 N 4.73 3.92 0.85 4.03 3.72 -0.43 -4.43 117.46 129.86 2nya n PHE 650 Ca -0.15 -3.12 0.01 0.00 -0.05 0.00 0.00 57.45 54.14 2nya n PHE 650 Cb 0.48 -1.93 0.05 0.00 -0.94 0.00 0.00 39.48 37.14 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 4.11 0.00 0.43 1.38 0.18 -1.26 -2.17 117.16 119.83 2nya n TYR 651 Ca 0.35 0.00 0.12 0.00 1.88 0.00 0.00 57.90 60.26 2nya n TYR 651 Cb 0.39 0.00 0.27 0.00 -0.38 0.00 0.00 39.34 39.62 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 2.49 0.00 -5.23 -7.48 0.00 -1.84 -3.44 103.07 87.56 2nya h GLY 652 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 2nya h GLY 652 CO 0.00 0.00 -0.67 0.54 0.00 0.00 0.00 176.54 176.41 2nya s LYS 653 N -3.16 2.91 0.36 4.80 -0.14 -0.92 -4.30 119.74 119.29 2nya s LYS 653 Ca 0.08 -0.51 0.19 0.00 -1.36 0.00 0.00 55.97 54.37 2nya s LYS 653 Cb 0.09 -2.68 1.22 0.00 -1.68 0.00 0.00 37.83 34.79 2nya s LYS 653 CO 0.65 0.63 1.63 -1.35 -0.76 0.00 0.00 175.35 176.14 2nya h PRO 654 N 5.39 0.18 -0.45 -1.68 0.11 -1.88 0.36 132.00 134.04 2nya h PRO 654 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2nya h PRO 654 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2nya h PRO 654 CO 0.54 0.12 0.00 -0.40 -0.21 0.00 0.00 178.00 178.05 2nya n ASP 655 N -5.07 3.53 0.00 -2.05 5.75 -1.26 -4.96 116.55 112.49 2nya n ASP 655 Ca 0.34 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 53.14 2nya n ASP 655 Cb 1.14 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.94 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 1.48 0.56 3.63 6.12 0.00 0.13 -5.00 105.19 112.11 2nya n GLY 656 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.22 2.84 0.67 1.61 1.02 -1.26 -1.31 119.74 123.11 2nya s LYS 657 Ca 0.00 -0.49 -0.15 0.00 0.02 0.00 0.00 55.97 55.35 2nya s LYS 657 Cb 0.00 -2.68 0.01 0.00 -0.52 0.00 0.00 37.83 34.64 2nya s LYS 657 CO 0.00 0.68 1.11 0.00 -0.92 0.00 0.00 175.35 176.22 2nya s ALA 658 N -0.86 2.42 -0.17 5.17 0.00 -0.03 -4.75 121.76 123.54 2nya s ALA 658 Ca 0.13 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.64 2nya s ALA 658 Cb -0.11 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.69 2nya s ALA 658 CO 0.02 -1.36 -0.16 0.08 0.00 0.00 0.00 175.76 174.34 2nya s VAL 659 N -2.37 2.48 -0.06 0.00 1.01 -0.67 -1.31 120.40 119.48 2nya s VAL 659 Ca 0.67 -0.81 -0.24 0.00 0.00 0.00 0.00 61.98 61.60 2nya s VAL 659 Cb -0.21 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2nya s VAL 659 CO 0.43 0.51 0.72 -0.63 0.00 0.00 0.00 175.10 176.13 2nya s ILE 660 N 1.12 5.02 -0.16 2.22 1.01 -0.61 -4.54 121.20 125.26 2nya s ILE 660 Ca 0.00 1.48 -0.00 0.00 0.00 0.00 0.00 60.65 62.14 2nya s ILE 660 Cb -0.14 -4.06 -0.00 0.00 0.01 0.00 0.00 42.46 38.27 2nya s ILE 660 CO -0.06 0.25 -0.15 -0.36 0.00 0.00 0.00 174.94 174.63 2nya s PHE 661 N 0.76 2.80 -0.20 3.97 0.08 -1.26 -1.23 117.98 122.89 2nya s PHE 661 Ca 0.38 -1.06 -0.25 0.00 0.12 0.00 0.00 56.93 56.12 2nya s PHE 661 Cb -0.18 -1.91 -0.01 0.00 -0.57 0.00 0.00 43.02 40.35 2nya s PHE 661 CO 0.19 -0.49 0.85 0.00 -0.10 0.00 0.00 175.22 175.67 2nya s ALA 662 N 0.88 3.59 -0.09 5.36 0.00 -0.40 -4.73 121.76 126.36 2nya s ALA 662 Ca -0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 51.96 51.84 2nya s ALA 662 Cb -0.15 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.72 2nya s ALA 662 CO -0.01 -0.80 0.22 -0.51 0.00 0.00 0.00 175.76 174.66 2nya s LEU 663 N 2.53 0.70 0.73 0.00 1.43 -1.26 -2.25 118.68 120.57 2nya s LEU 663 Ca 0.37 0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 53.85 2nya s LEU 663 Cb -0.16 0.69 0.06 0.00 0.03 0.00 0.00 46.19 46.81 2nya s LEU 663 CO 0.10 -0.13 1.08 -2.16 0.23 0.00 0.00 176.35 175.46 2nya s PRO 664 N 0.87 2.27 0.33 1.29 0.04 -1.26 -4.94 135.00 133.60 2nya s PRO 664 Ca -0.06 0.00 -0.28 0.00 0.04 0.00 0.00 61.00 60.70 2nya s PRO 664 Cb -0.08 -2.08 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 2nya s PRO 664 CO -0.05 -1.29 1.22 0.12 0.04 0.00 0.00 177.00 177.03 2nya s PHE 665 N -3.36 3.21 0.03 0.56 5.36 -1.26 -5.00 117.98 117.51 2nya s PHE 665 Ca 0.60 1.53 0.01 0.00 -0.96 0.00 0.00 56.93 58.10 2nya s PHE 665 Cb -0.11 -3.51 -0.02 0.00 -0.34 0.00 0.00 43.02 39.04 2nya s PHE 665 CO 0.47 -1.37 -0.05 -1.21 -1.46 0.00 0.00 175.22 171.61 2nya s GLU 666 N -1.79 0.42 0.57 10.12 2.02 -1.26 -5.09 118.70 123.70 2nya s GLU 666 Ca 0.49 -0.73 -0.15 0.00 0.02 0.00 0.00 54.97 54.60 2nya s GLU 666 Cb -0.36 -0.03 -0.05 0.00 0.10 0.00 0.00 34.13 33.79 2nya s GLU 666 CO 0.47 -0.02 1.02 -1.25 0.02 0.00 0.00 175.26 175.49 2nya s PRO 667 N -1.78 3.63 0.47 0.39 0.04 -1.26 -4.95 135.00 131.55 2nya s PRO 667 Ca -0.11 0.97 -0.22 0.00 0.04 0.00 0.00 61.00 61.68 2nya s PRO 667 Cb -0.08 -2.09 -0.10 0.00 0.04 0.00 0.00 34.50 32.27 2nya s PRO 667 CO -0.01 -0.54 0.75 0.00 0.04 0.00 0.00 177.00 177.24 2nya n ALA 668 N -2.07 -0.67 -0.31 8.56 0.00 -1.26 -4.89 120.51 119.86 2nya n ALA 668 Ca 0.07 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.76 2nya n ALA 668 Cb 0.54 -1.93 0.29 0.00 0.00 0.00 0.00 19.45 18.35 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 0.90 1.42 -3.23 0.00 0.00 -1.94 -3.39 119.26 113.02 2nya h ALA 669 Ca -0.44 0.14 -0.46 0.00 0.00 0.00 0.00 54.91 54.15 2nya h ALA 669 Cb 1.37 0.10 -0.39 0.00 0.00 0.00 0.00 17.79 18.87 2nya h ALA 669 CO 0.52 -0.27 -0.76 -2.00 0.00 0.00 0.00 179.25 176.74 2nya s GLU 670 N -5.90 0.47 0.29 0.00 2.12 -1.26 -5.11 118.70 109.31 2nya s GLU 670 Ca -0.12 -0.09 0.07 0.00 0.36 0.00 0.00 54.97 55.20 2nya s GLU 670 Cb 0.24 -1.49 -0.03 0.00 0.26 0.00 0.00 34.13 33.12 2nya s GLU 670 CO 0.78 -0.49 0.23 0.00 -0.54 0.00 0.00 175.26 175.24 2nya s ALA 671 N 1.98 3.68 0.46 6.30 0.00 -1.26 -4.16 121.76 128.76 2nya s ALA 671 Ca 0.02 -1.53 -0.24 0.00 0.00 0.00 0.00 51.96 50.21 2nya s ALA 671 Cb -0.15 -1.22 -0.07 0.00 0.00 0.00 0.00 23.12 21.68 2nya s ALA 671 CO -0.07 0.15 1.32 -2.14 0.00 0.00 0.00 175.76 175.01 2nya s PRO 672 N -3.90 3.65 0.00 0.00 0.02 -1.26 -4.67 135.00 128.83 2nya s PRO 672 Ca 0.36 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.54 2nya s PRO 672 Cb -0.07 -2.53 0.00 0.00 0.02 0.00 0.00 34.50 31.92 2nya s PRO 672 CO 0.25 -0.76 0.00 -0.40 -0.33 0.00 0.00 177.00 175.77 2nya n ASP 673 N -0.37 1.00 -0.10 2.53 3.85 -0.50 -4.97 116.55 118.00 2nya n ASP 673 Ca 0.06 0.00 -0.12 0.00 -0.71 0.00 0.00 54.79 54.03 2nya n ASP 673 Cb 0.44 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 40.18 2nya n ASP 673 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 2nya h GLU 674 N 0.00 0.60 0.25 0.11 3.07 -1.97 -3.19 114.58 113.46 2nya h GLU 674 Ca 0.00 -0.24 -0.01 0.00 -0.50 0.00 0.00 59.36 58.60 2nya h GLU 674 Cb 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.89 2nya h GLU 674 CO 0.00 0.81 -0.12 1.49 -1.40 0.00 0.00 179.01 179.79 2nya h GLU 675 N 0.36 -0.33 -4.68 2.33 4.81 -1.98 -3.38 114.58 111.71 2nya h GLU 675 Ca 0.07 0.02 -0.73 0.00 -0.13 0.00 0.00 59.36 58.59 2nya h GLU 675 Cb 0.61 0.07 -0.19 0.00 0.63 0.00 0.00 28.75 29.87 2nya h GLU 675 CO 0.04 -0.22 0.99 0.71 -0.73 0.00 0.00 179.01 179.79 2nya s TYR 676 N -2.66 3.45 -0.98 0.92 1.51 -1.25 -4.69 117.35 113.64 2nya s TYR 676 Ca -0.05 -1.90 0.28 0.00 -1.01 0.00 0.00 57.07 54.40 2nya s TYR 676 Cb 0.00 -4.22 1.12 0.00 -0.11 0.00 0.00 41.96 38.76 2nya s TYR 676 CO 0.15 -1.36 1.86 -0.40 -1.11 0.00 0.00 175.55 174.69 2nya n ASP 677 N 5.60 0.11 -4.51 2.29 3.85 -0.87 -1.41 116.55 121.61 2nya n ASP 677 Ca 0.29 0.41 -0.32 0.00 -0.71 0.00 0.00 54.79 54.46 2nya n ASP 677 Cb 0.45 -0.42 -0.12 0.00 -1.35 0.00 0.00 41.12 39.68 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 -3.09 2.86 0.23 -2.12 1.43 -0.30 -4.81 118.68 112.87 2nya s LEU 678 Ca 0.13 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.71 2nya s LEU 678 Cb 0.18 -1.63 -0.09 0.00 0.03 0.00 0.00 46.19 44.68 2nya s LEU 678 CO 0.56 0.31 1.38 0.26 0.23 0.00 0.00 176.35 179.08 2nya s TRP 679 N -0.85 3.13 -0.21 0.29 0.52 0.32 -1.48 118.94 120.66 2nya s TRP 679 Ca 0.14 1.12 -0.04 0.00 0.02 0.00 0.00 56.10 57.33 2nya s TRP 679 Cb -0.11 -3.72 -0.02 0.00 -1.15 0.00 0.00 33.47 28.48 2nya s TRP 679 CO 0.04 -2.30 -0.02 -1.17 0.02 0.00 0.00 176.95 173.51 2nya s LEU 680 N -0.25 3.07 0.25 2.99 2.96 0.87 0.12 118.68 128.69 2nya s LEU 680 Ca 0.58 -0.29 0.10 0.00 -0.22 0.00 0.00 54.13 54.30 2nya s LEU 680 Cb -0.39 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 2nya s LEU 680 CO 0.41 0.03 -0.05 -0.55 -1.32 0.00 0.00 176.35 174.86 2nya s SER 681 N 1.20 4.34 0.14 3.68 0.15 0.07 -2.24 113.70 121.03 2nya s SER 681 Ca 0.03 -0.69 -0.01 0.00 0.70 0.00 0.00 55.95 55.98 2nya s SER 681 Cb -0.14 -0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 63.39 2nya s SER 681 CO 0.00 0.03 0.07 0.42 1.20 0.00 0.00 173.24 174.96 2nya s THR 682 N -2.21 0.09 -0.44 6.45 -4.23 -1.25 -1.12 115.64 112.94 2nya s THR 682 Ca 0.30 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 2nya s THR 682 Cb -0.07 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.69 2nya s THR 682 CO 0.18 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 2nya n GLY 683 N -0.11 -0.70 2.00 3.99 0.00 -1.17 -4.74 105.19 104.45 2nya n GLY 683 Ca -0.05 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 2nya n GLY 683 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nya n ARG 684 N 0.00 1.14 -3.88 1.61 1.74 -1.26 -2.15 116.66 113.86 2nya n ARG 684 Ca 0.00 -2.04 -0.11 0.00 -0.77 0.00 0.00 57.85 54.93 2nya n ARG 684 Cb 0.00 0.70 -0.11 0.00 -1.02 0.00 0.00 32.46 32.03 2nya n ARG 684 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2nya s VAL 685 N -2.14 0.05 0.25 1.55 1.01 -1.26 -4.89 120.40 114.97 2nya s VAL 685 Ca 0.03 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 2nya s VAL 685 Cb 0.00 -0.28 0.40 0.00 0.00 0.00 0.00 36.38 36.50 2nya s VAL 685 CO 0.02 -0.25 1.37 -0.11 0.00 0.00 0.00 175.10 176.14 2nya n LEU 686 N 2.14 -0.30 -0.10 3.92 -0.00 -1.26 -2.23 117.00 119.17 2nya n LEU 686 Ca -0.19 1.51 0.13 0.00 -0.00 0.00 0.00 56.01 57.46 2nya n LEU 686 Cb 0.57 -0.46 0.46 0.00 -0.00 0.00 0.00 43.42 43.99 2nya n LEU 686 CO 0.21 -1.45 0.72 -1.84 -0.00 0.00 0.00 177.39 175.04 2nya n GLU 687 N -5.42 0.44 -4.63 1.96 0.00 -1.26 -4.75 120.64 106.98 2nya n GLU 687 Ca 0.14 -0.20 -0.28 0.00 0.00 0.00 0.00 57.16 56.83 2nya n GLU 687 Cb 0.45 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 30.26 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 -2.69 2.13 -0.29 -1.84 3.76 -0.95 -4.91 115.29 110.50 2nya s HIS 688 Ca 0.21 -0.40 -0.08 0.00 -0.15 0.00 0.00 55.06 54.65 2nya s HIS 688 Cb 0.19 -1.23 -0.00 0.00 1.11 0.00 0.00 32.58 32.65 2nya s HIS 688 CO 0.55 0.19 0.09 -0.46 -0.85 0.00 0.00 174.74 174.26 2nya s TRP 689 N -0.92 3.13 0.00 1.40 -0.11 -1.26 -4.43 118.94 116.75 2nya s TRP 689 Ca 0.11 -0.75 0.00 0.00 1.22 0.00 0.00 56.10 56.68 2nya s TRP 689 Cb -0.10 -2.27 0.00 0.00 -1.50 0.00 0.00 33.47 29.60 2nya s TRP 689 CO 0.03 -0.50 0.00 0.72 -4.62 0.00 0.00 176.95 172.59 2nya n HIS 690 N 4.91 0.00 1.05 5.86 8.25 -1.26 -0.84 115.22 133.19 2nya n HIS 690 Ca -0.15 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.43 2nya n HIS 690 Cb 0.49 0.00 0.30 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 0.14 -0.26 1.59 -2.24 -1.26 -2.77 114.28 109.48 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 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.12 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 1.29 2.24 0.46 3.38 0.00 -0.02 -4.46 105.19 108.09 2nya n GLY 692 Ca 0.17 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.47 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 0.17 0.00 1.61 4.64 -1.84 0.69 113.55 118.82 2nya h SER 693 Ca 0.00 0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.27 2nya h SER 693 Cb 0.00 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2nya h SER 693 CO 0.00 0.04 -0.73 0.24 -0.87 0.00 0.00 176.83 175.51 2nya h MET 694 N 0.15 0.00 0.00 4.77 2.07 -1.89 -3.38 114.93 116.66 2nya h MET 694 Ca 0.52 0.00 -0.08 0.00 -2.07 0.00 0.00 59.70 58.07 2nya h MET 694 Cb 1.77 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 31.49 2nya h MET 694 CO -0.10 0.38 -0.39 1.79 1.07 0.00 0.00 176.91 179.66 2nya h THR 695 N -1.00 1.09 0.00 2.22 1.35 -1.70 -1.22 112.91 113.66 2nya h THR 695 Ca -0.12 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 2nya h THR 695 Cb 0.77 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 2nya h THR 695 CO -0.07 0.38 0.00 0.03 -0.25 0.00 0.00 175.52 175.61 2nya h ARG 696 N 0.00 0.00 -0.28 4.72 3.08 0.12 -2.42 114.38 119.60 2nya h ARG 696 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2nya h ARG 696 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2nya h ARG 696 CO 0.05 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.49 2nya n ARG 697 N -2.69 1.62 -3.63 0.04 1.74 -0.46 -4.63 116.66 108.64 2nya n ARG 697 Ca 0.04 -0.93 -0.40 0.00 -0.77 0.00 0.00 57.85 55.79 2nya n ARG 697 Cb 0.40 -1.22 -0.11 0.00 -1.02 0.00 0.00 32.46 30.52 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 -1.66 4.27 0.35 1.55 1.01 -0.91 -4.60 120.40 120.41 2nya s VAL 698 Ca 0.17 -1.12 0.16 0.00 0.00 0.00 0.00 61.98 61.19 2nya s VAL 698 Cb 0.09 -3.47 0.36 0.00 0.00 0.00 0.00 36.38 33.36 2nya s VAL 698 CO 0.11 -0.32 1.54 -2.65 0.00 0.00 0.00 175.10 173.78 2nya n PRO 699 N 4.93 -0.06 0.05 2.72 -0.02 -1.26 -1.32 135.00 140.03 2nya n PRO 699 Ca -0.11 1.38 0.11 0.00 -2.02 0.00 0.00 63.50 62.85 2nya n PRO 699 Cb 0.45 -2.40 -0.08 0.00 -0.02 0.00 0.00 33.50 31.44 2nya n PRO 699 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2nya n GLU 700 N -5.27 0.63 -0.02 -0.52 0.00 -1.26 -1.63 120.64 112.57 2nya n GLU 700 Ca 0.34 -0.03 -0.16 0.00 0.00 0.00 0.00 57.16 57.31 2nya n GLU 700 Cb 1.13 -1.68 -0.11 0.00 0.00 0.00 0.00 31.44 30.79 2nya n GLU 700 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2nya h LEU 701 N 0.00 0.34 -1.27 -1.84 3.38 -1.45 -2.81 115.31 111.66 2nya h LEU 701 Ca -0.00 -0.73 0.12 0.00 0.09 0.00 0.00 57.88 57.35 2nya h LEU 701 Cb 1.01 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.59 2nya h LEU 701 CO 0.00 1.02 0.56 -0.74 0.09 0.00 0.00 178.44 179.38 2nya h HIS 702 N -0.31 0.86 -0.00 1.13 2.76 -1.24 -1.70 115.15 116.65 2nya h HIS 702 Ca -0.04 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2nya h HIS 702 Cb 1.06 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.74 2nya h HIS 702 CO 0.16 0.36 -0.01 -2.13 -1.30 0.00 0.00 177.93 175.01 2nya n ARG 703 N -4.54 0.57 -0.05 5.26 0.63 -0.65 -1.01 116.66 116.87 2nya n ARG 703 Ca 0.16 -0.01 0.01 0.00 -0.92 0.00 0.00 57.85 57.08 2nya n ARG 703 Cb 0.38 -1.50 -0.16 0.00 0.45 0.00 0.00 32.46 31.63 2nya n ARG 703 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2nya n ALA 704 N -1.20 2.20 -2.81 5.13 0.00 -0.66 -4.70 120.51 118.46 2nya n ALA 704 Ca 0.16 -0.89 -0.08 0.00 0.00 0.00 0.00 53.44 52.63 2nya n ALA 704 Cb 0.21 -0.48 0.02 0.00 0.00 0.00 0.00 19.45 19.20 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 -2.48 -3.28 0.23 0.00 -0.00 -1.05 -5.04 117.46 105.84 2nya n PHE 705 Ca -0.17 -1.76 0.09 0.00 -0.00 0.00 0.00 57.45 55.61 2nya n PHE 705 Cb 0.84 1.36 0.57 0.00 -0.00 0.00 0.00 39.48 42.25 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 4.53 0.00 -3.60 -7.13 0.13 -1.32 -3.44 132.00 121.17 2nya h PRO 706 Ca -0.02 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.97 2nya h PRO 706 Cb 1.05 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.99 2nya h PRO 706 CO 0.20 0.21 -0.48 -1.21 -0.23 0.00 0.00 178.00 176.48 2nya s GLU 707 N -4.13 0.55 0.21 0.86 2.02 -1.26 -5.04 118.70 111.90 2nya s GLU 707 Ca -0.02 -0.54 -0.30 0.00 0.02 0.00 0.00 54.97 54.13 2nya s GLU 707 Cb 0.13 0.22 -0.09 0.00 0.10 0.00 0.00 34.13 34.49 2nya s GLU 707 CO 0.64 -0.14 1.35 0.00 0.02 0.00 0.00 175.26 177.13 2nya s ALA 708 N -1.92 3.56 0.52 5.21 0.00 -1.26 -5.05 121.76 122.81 2nya s ALA 708 Ca -0.10 1.17 0.06 0.00 0.00 0.00 0.00 51.96 53.09 2nya s ALA 708 Cb -0.05 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.59 2nya s ALA 708 CO -0.01 -0.60 0.40 0.14 0.00 0.00 0.00 175.76 175.69 2nya s VAL 709 N 0.15 1.87 -0.27 0.00 -7.23 -1.26 -4.15 120.40 109.52 2nya s VAL 709 Ca 0.58 -1.46 -0.03 0.00 -1.81 0.00 0.00 61.98 59.26 2nya s VAL 709 Cb -0.38 -2.34 0.03 0.00 0.56 0.00 0.00 36.38 34.25 2nya s VAL 709 CO 0.39 0.00 -0.02 -0.22 -0.31 0.00 0.00 175.10 174.94 2nya s LEU 710 N -4.25 3.46 -0.21 1.32 0.20 0.22 -4.41 118.68 115.00 2nya s LEU 710 Ca 0.38 -0.93 -0.26 0.00 0.69 0.00 0.00 54.13 54.01 2nya s LEU 710 Cb -0.02 -1.71 -0.01 0.00 -0.43 0.00 0.00 46.19 44.02 2nya s LEU 710 CO 0.23 -0.17 0.87 -0.36 -0.29 0.00 0.00 176.35 176.63 2nya s PHE 711 N 1.34 3.36 0.01 5.38 0.08 -0.67 -0.86 117.98 126.62 2nya s PHE 711 Ca -0.01 1.24 -0.01 0.00 0.12 0.00 0.00 56.93 58.27 2nya s PHE 711 Cb -0.17 -3.07 -0.01 0.00 -0.57 0.00 0.00 43.02 39.19 2nya s PHE 711 CO -0.03 -0.35 -0.00 -1.50 -0.10 0.00 0.00 175.22 173.24 2nya s ILE 712 N 2.64 0.07 0.19 0.64 2.07 -0.67 -2.24 121.20 123.89 2nya s ILE 712 Ca 0.38 -0.57 -0.30 0.00 -1.41 0.00 0.00 60.65 58.74 2nya s ILE 712 Cb -0.16 -0.19 -0.08 0.00 0.13 0.00 0.00 42.46 42.16 2nya s ILE 712 CO 0.09 -0.31 1.23 -2.28 -1.91 0.00 0.00 174.94 171.75 2nya s HIS 713 N -0.93 3.38 0.17 3.50 5.65 -1.26 -4.22 115.29 121.58 2nya s HIS 713 Ca -0.10 1.37 -0.08 0.00 0.25 0.00 0.00 55.06 56.50 2nya s HIS 713 Cb -0.06 -3.48 0.24 0.00 -1.18 0.00 0.00 32.58 28.10 2nya s HIS 713 CO -0.00 -1.38 1.01 -2.30 -0.65 0.00 0.00 174.74 171.41 2nya n PRO 714 N 2.56 -0.10 0.16 2.88 -0.02 -1.26 -0.45 135.00 138.76 2nya n PRO 714 Ca 0.05 1.01 0.03 0.00 -2.02 0.00 0.00 63.50 62.57 2nya n PRO 714 Cb 0.44 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.57 2nya n PRO 714 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2nya h LEU 715 N 0.00 0.00 -0.82 2.45 3.38 -1.97 0.38 115.31 118.73 2nya h LEU 715 Ca 0.28 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.14 2nya h LEU 715 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2nya h LEU 715 CO -0.66 0.48 -0.32 0.44 0.09 0.00 0.00 178.44 178.47 2nya h ASP 716 N 0.00 0.52 -0.02 -0.43 5.19 -1.14 0.21 116.42 120.75 2nya h ASP 716 Ca -0.00 -0.20 -0.03 0.00 -0.62 0.00 0.00 57.03 56.17 2nya h ASP 716 Cb 1.20 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.57 2nya h ASP 716 CO 0.06 0.82 -0.10 0.00 -3.12 0.00 0.00 179.24 176.90 2nya h ALA 717 N 1.22 0.04 -0.43 3.45 0.00 -1.18 -3.30 119.26 119.06 2nya h ALA 717 Ca 0.05 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.69 2nya h ALA 717 Cb 0.78 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.47 2nya h ALA 717 CO 0.06 -0.06 -0.31 -0.22 0.00 0.00 0.00 179.25 178.72 2nya h LYS 718 N -0.49 -0.21 0.00 0.00 1.63 -0.05 0.29 116.57 117.73 2nya h LYS 718 Ca -0.01 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2nya h LYS 718 Cb 0.75 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.43 2nya h LYS 718 CO 0.02 -0.14 0.00 0.00 -3.45 0.00 0.00 179.45 175.88 2nya n ALA 719 N -3.01 1.93 -0.34 5.00 0.00 0.71 -2.57 120.51 122.23 2nya n ALA 719 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2nya n ALA 719 Cb 0.34 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2nya n ALA 719 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2nya n ARG 720 N -0.82 0.75 -2.78 0.00 1.74 0.02 -5.01 116.66 110.57 2nya n ARG 720 Ca 0.06 -0.18 -0.09 0.00 -0.77 0.00 0.00 57.85 56.88 2nya n ARG 720 Cb 0.03 -0.60 0.04 0.00 -1.02 0.00 0.00 32.46 30.90 2nya n ARG 720 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2nya n ASP 721 N -0.16 -2.95 -4.13 0.55 -0.08 -0.86 -4.87 116.55 104.05 2nya n ASP 721 Ca 0.00 -0.24 -0.28 0.00 -1.51 0.00 0.00 54.79 52.76 2nya n ASP 721 Cb 0.08 -2.40 -0.16 0.00 2.34 0.00 0.00 41.12 40.98 2nya n ASP 721 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2nya s LEU 722 N -3.71 1.89 -0.03 -2.67 1.43 -0.79 -5.03 118.68 109.78 2nya s LEU 722 Ca 0.13 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.90 2nya s LEU 722 Cb -0.06 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 45.07 2nya s LEU 722 CO 0.30 0.13 -0.25 -0.13 0.23 0.00 0.00 176.35 176.63 2nya s ARG 723 N 0.28 2.21 -0.21 1.70 0.52 -1.26 -4.07 118.95 118.13 2nya s ARG 723 Ca -0.11 -0.90 -0.21 0.00 -0.52 0.00 0.00 55.73 53.99 2nya s ARG 723 Cb -0.15 -2.09 -0.09 0.00 0.52 0.00 0.00 34.95 33.14 2nya s ARG 723 CO 0.04 0.54 0.70 -2.13 0.02 0.00 0.00 175.30 174.48 2nya n ARG 724 N 2.50 0.00 0.00 3.54 0.63 -1.26 0.36 116.66 122.43 2nya n ARG 724 Ca -0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 2nya n ARG 724 Cb 0.51 -0.67 0.00 0.00 0.45 0.00 0.00 32.46 32.75 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 1.71 2.13 3.77 5.14 0.00 -0.47 -4.99 105.19 112.48 2nya n GLY 725 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.45 6.62 0.24 1.61 1.01 0.16 -4.61 116.67 120.24 2nya s ASP 726 Ca 0.00 2.69 -0.30 0.00 0.71 0.00 0.00 52.55 55.65 2nya s ASP 726 Cb 0.00 -2.65 -0.09 0.00 1.01 0.00 0.00 42.92 41.19 2nya s ASP 726 CO 0.00 -0.64 1.35 -0.75 0.21 0.00 0.00 175.17 175.34 2nya s LYS 727 N -1.95 4.35 -0.04 8.23 2.20 -1.26 0.15 119.74 131.42 2nya s LYS 727 Ca 0.51 2.16 -0.02 0.00 -0.36 0.00 0.00 55.97 58.26 2nya s LYS 727 Cb -0.39 -3.15 0.02 0.00 -1.51 0.00 0.00 37.83 32.80 2nya s LYS 727 CO 0.52 -0.29 0.09 0.54 -0.36 0.00 0.00 175.35 175.85 2nya s VAL 728 N -0.15 -0.02 -0.29 4.02 0.11 0.69 -4.89 120.40 119.88 2nya s VAL 728 Ca 0.56 0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 59.57 2nya s VAL 728 Cb -0.39 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 2nya s VAL 728 CO 0.42 0.03 0.19 -0.75 -3.33 0.00 0.00 175.10 171.66 2nya s LYS 729 N 0.46 3.83 -0.19 1.54 2.20 -0.65 0.10 119.74 127.01 2nya s LYS 729 Ca -0.03 -0.41 -0.12 0.00 -0.36 0.00 0.00 55.97 55.05 2nya s LYS 729 Cb -0.05 -3.67 -0.05 0.00 -1.51 0.00 0.00 37.83 32.55 2nya s LYS 729 CO -0.02 -0.24 0.22 0.08 -0.36 0.00 0.00 175.35 175.04 2nya s VAL 730 N 1.74 5.34 -0.06 4.02 1.01 0.12 -1.84 120.40 130.74 2nya s VAL 730 Ca 0.07 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.43 2nya s VAL 730 Cb -0.16 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.68 2nya s VAL 730 CO 0.10 0.38 -0.05 -0.69 0.00 0.00 0.00 175.10 174.85 2nya s VAL 731 N 0.66 0.60 0.51 2.92 1.01 -0.12 -0.89 120.40 125.10 2nya s VAL 731 Ca 0.12 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.02 2nya s VAL 731 Cb -0.13 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.61 2nya s VAL 731 CO 0.02 0.26 0.21 -0.94 0.00 0.00 0.00 175.10 174.66 2nya s SER 732 N 1.19 4.40 0.00 3.32 1.04 -0.51 -0.76 113.70 122.38 2nya s SER 732 Ca -0.07 -1.38 0.07 0.00 0.48 0.00 0.00 55.95 55.05 2nya s SER 732 Cb -0.14 0.33 0.33 0.00 0.10 0.00 0.00 66.02 66.64 2nya s SER 732 CO -0.01 -0.93 1.09 0.54 0.98 0.00 0.00 173.24 174.91 2nya n ARG 733 N -1.49 0.08 -0.00 4.02 1.74 -1.26 -2.89 116.66 116.86 2nya n ARG 733 Ca -0.08 0.25 0.03 0.00 -0.77 0.00 0.00 57.85 57.27 2nya n ARG 733 Cb 0.65 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.55 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 -1.32 0.67 -3.62 5.56 1.74 -1.26 -5.11 116.66 113.32 2nya n ARG 734 Ca 0.03 -0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 2nya n ARG 734 Cb 0.06 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 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 2.07 -1.30 3.24 -0.13 0.00 -1.14 -4.76 105.19 103.18 2nya n GLY 735 Ca -0.01 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.24 0.70 0.04 1.61 -1.05 -1.26 -1.43 118.70 116.08 2nya s GLU 736 Ca 0.00 -0.24 -0.00 0.00 -0.15 0.00 0.00 54.97 54.58 2nya s GLU 736 Cb 0.00 0.31 -0.03 0.00 -0.44 0.00 0.00 34.13 33.97 2nya s GLU 736 CO 0.00 -0.20 -0.04 0.14 0.95 0.00 0.00 175.26 176.12 2nya s VAL 737 N -1.52 0.25 -0.25 1.83 -7.23 -0.07 -4.90 120.40 108.51 2nya s VAL 737 Ca -0.12 -1.48 -0.07 0.00 -1.81 0.00 0.00 61.98 58.50 2nya s VAL 737 Cb -0.04 -1.06 -0.03 0.00 0.56 0.00 0.00 36.38 35.80 2nya s VAL 737 CO 0.03 -0.78 0.07 -0.63 -0.31 0.00 0.00 175.10 173.48 2nya s ILE 738 N -2.92 4.37 0.00 -0.62 1.01 -1.26 0.15 121.20 121.93 2nya s ILE 738 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.48 2nya s ILE 738 Cb 0.01 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.44 2nya s ILE 738 CO -0.06 0.34 0.00 -0.24 0.00 0.00 0.00 174.94 174.98 2nya n SER 739 N 4.86 1.39 -4.20 3.58 2.88 0.11 -4.81 113.62 117.44 2nya n SER 739 Ca -0.16 -0.94 -0.30 0.00 -1.33 0.00 0.00 58.87 56.14 2nya n SER 739 Cb 0.51 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.81 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 -1.20 1.84 0.11 2.46 1.09 -1.26 -0.22 121.20 124.03 2nya s ILE 740 Ca 0.00 -0.92 -0.31 0.00 -1.10 0.00 0.00 60.65 58.32 2nya s ILE 740 Cb 0.00 -1.59 -0.09 0.00 -1.06 0.00 0.00 42.46 39.72 2nya s ILE 740 CO 0.00 0.51 1.60 -0.69 -0.10 0.00 0.00 174.94 176.26 2nya s VAL 741 N 0.18 2.87 -0.25 2.92 1.01 0.12 -0.61 120.40 126.63 2nya s VAL 741 Ca -0.11 0.50 -0.00 0.00 0.00 0.00 0.00 61.98 62.36 2nya s VAL 741 Cb -0.15 -3.32 0.07 0.00 0.00 0.00 0.00 36.38 32.98 2nya s VAL 741 CO 0.06 0.02 0.02 -0.70 0.00 0.00 0.00 175.10 174.50 2nya s GLU 742 N 1.88 1.10 0.00 2.72 2.56 -0.04 -1.37 118.70 125.54 2nya s GLU 742 Ca 0.72 -0.94 0.23 0.00 0.00 0.00 0.00 54.97 54.97 2nya s GLU 742 Cb -0.41 -2.35 0.10 0.00 2.00 0.00 0.00 34.13 33.47 2nya s GLU 742 CO 0.32 -0.75 1.14 0.25 -0.56 0.00 0.00 175.26 175.66 2nya n THR 743 N 4.78 0.00 -2.33 -1.70 -2.24 -1.26 -1.68 114.28 109.86 2nya n THR 743 Ca -0.07 -0.10 0.04 0.00 -2.27 0.00 0.00 64.05 61.65 2nya n THR 743 Cb 0.44 0.88 0.05 0.00 -2.10 0.00 0.00 70.33 69.59 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 -0.90 0.25 -0.18 -0.78 0.63 -1.26 -4.60 116.66 109.82 2nya n ARG 744 Ca 0.07 -2.14 0.00 0.00 -0.92 0.00 0.00 57.85 54.86 2nya n ARG 744 Cb 0.38 -0.28 0.00 0.00 0.45 0.00 0.00 32.46 33.01 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 0.22 -0.47 0.20 5.14 0.00 -1.26 -4.99 105.19 104.02 2nya n GLY 745 Ca 0.08 -1.76 0.06 0.00 0.00 0.00 0.00 46.02 44.40 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 -4.95 1.61 0.11 -1.98 -3.41 114.38 105.76 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 0.34 -0.59 -0.80 0.10 0.00 0.00 179.97 179.02 2nya s ASN 747 N -6.45 5.45 -0.51 0.08 0.01 -1.26 -4.12 114.94 108.15 2nya s ASN 747 Ca -0.01 -0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.02 2nya s ASN 747 Cb 0.12 -1.99 0.13 0.00 0.41 0.00 0.00 41.25 39.92 2nya s ASN 747 CO 0.68 -0.03 0.28 -0.13 -1.51 0.00 0.00 177.10 176.39 2nya s ARG 748 N 1.59 2.10 0.48 -0.60 1.81 0.46 -4.70 118.95 120.09 2nya s ARG 748 Ca 0.06 -2.32 -0.21 0.00 -1.72 0.00 0.00 55.73 51.54 2nya s ARG 748 Cb -0.15 -3.49 -0.08 0.00 -0.45 0.00 0.00 34.95 30.78 2nya s ARG 748 CO 0.06 -1.10 1.10 -1.25 -0.68 0.00 0.00 175.30 173.43 2nya s PRO 749 N 0.25 3.74 0.95 3.54 0.04 -1.26 -2.61 135.00 139.66 2nya s PRO 749 Ca 0.14 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 62.63 2nya s PRO 749 Cb -0.22 -2.24 0.16 0.00 0.04 0.00 0.00 34.50 32.24 2nya s PRO 749 CO -0.03 -0.52 1.09 -1.25 0.04 0.00 0.00 177.00 176.33 2nya s PRO 750 N -2.97 0.80 0.40 0.56 0.04 -1.26 -4.12 135.00 128.46 2nya s PRO 750 Ca 0.66 1.00 -0.27 0.00 0.04 0.00 0.00 61.00 62.43 2nya s PRO 750 Cb -0.23 -1.74 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 2nya s PRO 750 CO 0.27 -2.61 1.43 1.04 0.04 0.00 0.00 177.00 177.17 2nya n GLN 751 N -4.16 2.41 -0.01 4.56 6.02 -1.26 -2.51 117.38 122.43 2nya n GLN 751 Ca 0.07 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.91 2nya n GLN 751 Cb 0.54 -2.60 0.00 0.00 1.02 0.00 0.00 30.24 29.21 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 0.56 0.38 2.98 1.08 0.00 -1.26 -5.04 105.19 103.89 2nya n GLY 752 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 1.47 0.03 0.99 0.20 -1.04 -0.52 118.68 119.81 2nya s LEU 753 Ca 0.00 -0.34 0.05 0.00 0.69 0.00 0.00 54.13 54.52 2nya s LEU 753 Cb 0.00 -0.92 -0.03 0.00 -0.43 0.00 0.00 46.19 44.81 2nya s LEU 753 CO 0.00 -0.04 -0.09 0.54 -0.29 0.00 0.00 176.35 176.47 2nya s VAL 754 N 1.25 3.47 -0.02 1.68 0.11 0.33 -4.56 120.40 122.66 2nya s VAL 754 Ca -0.03 -0.93 0.03 0.00 -2.93 0.00 0.00 61.98 58.13 2nya s VAL 754 Cb -0.14 -2.53 -0.00 0.00 -1.53 0.00 0.00 36.38 32.18 2nya s VAL 754 CO -0.04 0.33 -0.12 -0.47 -3.33 0.00 0.00 175.10 171.47 2nya s TYR 755 N -1.03 1.21 -0.08 1.54 5.04 -0.95 -0.75 117.35 122.33 2nya s TYR 755 Ca 0.18 -0.29 -0.04 0.00 -2.44 0.00 0.00 57.07 54.48 2nya s TYR 755 Cb -0.11 -0.82 0.04 0.00 0.35 0.00 0.00 41.96 41.42 2nya s TYR 755 CO 0.09 -0.09 0.18 1.41 -1.34 0.00 0.00 175.55 175.80 2nya s MET 756 N -0.02 0.13 0.36 4.97 1.75 -0.27 -1.67 119.30 124.55 2nya s MET 756 Ca -0.00 0.44 -0.09 0.00 -1.25 0.00 0.00 55.69 54.78 2nya s MET 756 Cb -0.08 -0.16 -0.06 0.00 2.84 0.00 0.00 34.83 37.37 2nya s MET 756 CO 0.00 -0.17 0.70 -1.25 -0.65 0.00 0.00 175.02 173.66 2nya s PRO 757 N 1.24 3.76 0.00 4.11 0.04 -1.26 -3.04 135.00 139.84 2nya s PRO 757 Ca -0.09 0.35 0.22 0.00 0.04 0.00 0.00 61.00 61.52 2nya s PRO 757 Cb -0.11 -2.47 0.61 0.00 0.04 0.00 0.00 34.50 32.57 2nya s PRO 757 CO -0.07 0.06 1.51 1.97 0.04 0.00 0.00 177.00 180.51 2nya n PHE 758 N -1.08 0.93 0.36 0.56 1.16 -0.92 -4.62 117.46 113.86 2nya n PHE 758 Ca 0.01 -0.49 0.10 0.00 -1.87 0.00 0.00 57.45 55.20 2nya n PHE 758 Cb 0.54 -0.00 0.43 0.00 -1.61 0.00 0.00 39.48 38.83 2nya n PHE 758 CO 0.00 0.00 0.00 1.97 -1.87 0.00 0.00 176.76 176.86 2nya n PHE 759 N 1.55 0.55 -3.61 2.97 -1.74 -1.11 -4.61 117.46 111.46 2nya n PHE 759 Ca 0.23 0.23 -0.40 0.00 -0.56 0.00 0.00 57.45 56.95 2nya n PHE 759 Cb 0.61 -0.87 -0.11 0.00 1.52 0.00 0.00 39.48 40.63 2nya n PHE 759 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2nya s ASP 760 N -3.83 5.68 0.31 5.98 3.68 -1.26 -3.61 116.67 123.62 2nya s ASP 760 Ca 0.04 -0.86 0.25 0.00 2.13 0.00 0.00 52.55 54.10 2nya s ASP 760 Cb 0.08 -2.02 1.09 0.00 -1.45 0.00 0.00 42.92 40.62 2nya s ASP 760 CO 0.31 -0.33 1.74 0.00 0.13 0.00 0.00 175.17 177.02 2nya h ALA 761 N 8.41 1.00 0.00 3.66 0.00 -1.84 -1.79 119.26 128.70 2nya h ALA 761 Ca -0.27 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2nya h ALA 761 Cb 1.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2nya h ALA 761 CO 0.65 0.00 -0.86 0.00 0.00 0.00 0.00 179.25 179.04 2nya h ALA 762 N 2.18 0.65 -3.10 0.00 0.00 -1.98 -3.41 119.26 113.61 2nya h ALA 762 Ca 0.00 -0.28 -0.65 0.00 0.00 0.00 0.00 54.91 53.98 2nya h ALA 762 Cb 0.30 0.06 -0.40 0.00 0.00 0.00 0.00 17.79 17.75 2nya h ALA 762 CO 0.00 0.33 -0.45 -0.65 0.00 0.00 0.00 179.25 178.47 2nya s GLN 763 N -3.17 2.57 -1.21 0.00 -0.21 -0.67 -4.89 119.66 112.07 2nya s GLN 763 Ca 0.01 -3.12 -0.20 0.00 0.02 0.00 0.00 55.36 52.07 2nya s GLN 763 Cb 0.08 -3.56 0.04 0.00 1.00 0.00 0.00 33.01 30.58 2nya s GLN 763 CO 0.77 -1.24 1.71 -0.51 -2.12 0.00 0.00 175.29 173.90 2nya s LEU 764 N -1.08 3.65 0.56 2.90 1.43 -1.25 -4.61 118.68 120.27 2nya s LEU 764 Ca 0.23 -2.07 0.25 0.00 -1.03 0.00 0.00 54.13 51.51 2nya s LEU 764 Cb -0.11 -2.58 1.55 0.00 0.03 0.00 0.00 46.19 45.09 2nya s LEU 764 CO -0.11 -1.53 2.14 -0.37 0.23 0.00 0.00 176.35 176.70 2nya h VAL 765 N 5.97 0.67 0.00 -1.59 -1.51 -1.87 0.50 116.25 118.42 2nya h VAL 765 Ca 0.35 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.82 2nya h VAL 765 Cb 0.91 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 2nya h VAL 765 CO 1.42 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 178.35 2nya n ASN 766 N -4.10 0.00 0.21 4.19 3.02 -1.26 -0.89 115.26 116.43 2nya n ASN 766 Ca 0.00 -1.08 0.10 0.00 -0.03 0.00 0.00 54.58 53.57 2nya n ASN 766 Cb 0.24 0.00 0.35 0.00 -0.61 0.00 0.00 39.78 39.75 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 0.15 3.52 1.57 -1.23 0.27 116.57 120.84 2nya h LYS 767 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 2nya h LYS 767 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 2nya h LYS 767 CO 0.00 0.21 -1.85 -0.07 -0.57 0.00 0.00 179.45 177.17 2nya h LEU 768 N 0.00 0.50-10.13 2.94 3.38 -1.20 -3.19 115.31 107.60 2nya h LEU 768 Ca -0.00 -0.89 -0.54 0.00 0.09 0.00 0.00 57.88 56.54 2nya h LEU 768 Cb 0.90 -0.16 0.14 0.00 0.09 0.00 0.00 40.66 41.63 2nya h LEU 768 CO 0.03 1.78 0.45 0.42 0.09 0.00 0.00 178.44 181.21 2nya s THR 769 N -2.57 2.36 -0.29 0.22 -4.23 -1.19 -4.60 115.64 105.33 2nya s THR 769 Ca -0.18 0.20 -0.15 0.00 -1.18 0.00 0.00 61.69 60.38 2nya s THR 769 Cb 0.06 -2.95 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 2nya s THR 769 CO 0.82 -0.07 0.36 -0.22 -0.54 0.00 0.00 174.62 174.97 2nya s LEU 770 N -4.58 4.13 0.00 4.79 2.96 -1.26 -3.02 118.68 121.70 2nya s LEU 770 Ca 0.77 0.14 -0.00 0.00 -0.22 0.00 0.00 54.13 54.82 2nya s LEU 770 Cb -0.32 -2.38 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 2nya s LEU 770 CO 0.40 -0.21 0.83 -0.90 -1.32 0.00 0.00 176.35 175.14 2nya n ASP 771 N 5.33 1.99 -4.76 3.68 5.75 -1.26 -4.58 116.55 122.70 2nya n ASP 771 Ca -0.09 -1.56 -0.40 0.00 -0.01 0.00 0.00 54.79 52.74 2nya n ASP 771 Cb 0.50 -0.43 -0.05 0.00 -1.03 0.00 0.00 41.12 40.11 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 1.35 3.40 0.36 2.12 0.00 -1.26 -4.69 121.76 123.04 2nya s ALA 772 Ca 0.02 0.36 0.06 0.00 0.00 0.00 0.00 51.96 52.40 2nya s ALA 772 Cb 0.01 -3.01 -0.07 0.00 0.00 0.00 0.00 23.12 20.05 2nya s ALA 772 CO 0.00 0.18 0.01 0.95 0.00 0.00 0.00 175.76 176.89 2nya s THR 773 N -0.63 1.71 0.13 0.00 -4.23 -0.71 -1.62 115.64 110.29 2nya s THR 773 Ca 0.38 -2.03 -0.31 0.00 -1.18 0.00 0.00 61.69 58.54 2nya s THR 773 Cb -0.22 -2.84 -0.10 0.00 1.34 0.00 0.00 72.50 70.68 2nya s THR 773 CO 0.25 -0.05 1.70 -0.62 -0.54 0.00 0.00 174.62 175.36 2nya s ASP 774 N -3.60 6.51 0.24 3.99 2.15 -0.01 -3.66 116.67 122.30 2nya s ASP 774 Ca 0.35 2.65 0.23 0.00 0.43 0.00 0.00 52.55 56.20 2nya s ASP 774 Cb 0.08 -2.58 0.95 0.00 -0.30 0.00 0.00 42.92 41.08 2nya s ASP 774 CO 0.16 -0.92 1.69 -2.65 -0.17 0.00 0.00 175.17 173.28 2nya n PRO 775 N 5.02 0.18 -0.03 4.34 -0.02 -1.26 -0.89 135.00 142.34 2nya n PRO 775 Ca 0.16 0.41 -0.21 0.00 -2.02 0.00 0.00 63.50 61.84 2nya n PRO 775 Cb 0.39 -1.84 -0.13 0.00 -0.02 0.00 0.00 33.50 31.89 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 -2.17 2.58 0.02 2.45 4.77 -1.26 -4.42 117.00 118.96 2nya n LEU 776 Ca 0.02 0.20 0.11 0.00 -0.03 0.00 0.00 56.01 56.31 2nya n LEU 776 Cb 0.22 -1.07 -0.06 0.00 -2.33 0.00 0.00 43.42 40.18 2nya n LEU 776 CO 0.19 0.79 -0.22 -1.54 -1.33 0.00 0.00 177.39 175.28 2nya n SER 777 N -3.59 0.53 -1.80 -1.43 3.41 -1.21 -4.96 113.62 104.57 2nya n SER 777 Ca -0.34 -0.26 -0.20 0.00 -0.26 0.00 0.00 58.87 57.81 2nya n SER 777 Cb 0.99 1.14 -0.06 0.00 -0.26 0.00 0.00 64.21 66.03 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 -2.01 -1.46 -3.08 4.33 4.76 -0.07 -4.72 118.16 115.91 2nya n LYS 778 Ca 0.00 1.11 -0.39 0.00 -2.87 0.00 0.00 58.31 56.16 2nya n LYS 778 Cb 0.46 -5.55 -0.05 0.00 -1.84 0.00 0.00 35.03 28.05 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 -4.17 4.42 0.17 1.97 2.12 -1.24 -4.72 118.70 117.24 2nya s GLU 779 Ca 0.00 0.82 -0.30 0.00 0.36 0.00 0.00 54.97 55.84 2nya s GLU 779 Cb 0.00 -3.45 -0.08 0.00 0.26 0.00 0.00 34.13 30.86 2nya s GLU 779 CO 0.00 0.07 1.27 0.99 -0.54 0.00 0.00 175.26 177.05 2nya s THR 780 N 0.80 3.43 -1.06 -1.70 2.01 -1.26 -0.83 115.64 117.03 2nya s THR 780 Ca 0.36 1.14 -0.20 0.00 0.31 0.00 0.00 61.69 63.30 2nya s THR 780 Cb -0.17 -3.73 0.09 0.00 0.01 0.00 0.00 72.50 68.69 2nya s THR 780 CO 0.17 0.15 1.41 -0.62 -0.69 0.00 0.00 174.62 175.04 2nya s ASP 781 N 0.47 6.66 0.31 3.53 3.68 -0.64 -4.13 116.67 126.54 2nya s ASP 781 Ca 0.57 -1.96 0.26 0.00 2.13 0.00 0.00 52.55 53.55 2nya s ASP 781 Cb -0.34 -2.50 0.83 0.00 -1.45 0.00 0.00 42.92 39.45 2nya s ASP 781 CO 0.35 -1.24 1.75 -0.26 0.13 0.00 0.00 175.17 175.91 2nya h PHE 782 N 8.86 0.00 -0.00 -5.34 -1.00 -1.87 -3.35 116.94 114.23 2nya h PHE 782 Ca 0.24 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.02 2nya h PHE 782 Cb 0.98 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.54 2nya h PHE 782 CO 1.25 0.00 -0.09 1.63 -1.61 0.00 0.00 178.31 179.49 2nya n LYS 783 N -2.52 0.33 -3.37 1.51 4.76 -1.26 -3.75 118.16 113.87 2nya n LYS 783 Ca 0.04 -0.07 -0.15 0.00 -2.87 0.00 0.00 58.31 55.26 2nya n LYS 783 Cb 0.38 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 31.99 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 -2.72 0.37 0.36 1.97 2.20 -1.17 -3.66 119.74 117.09 2nya s LYS 784 Ca 0.22 -0.09 -0.12 0.00 -0.36 0.00 0.00 55.97 55.62 2nya s LYS 784 Cb 0.20 -0.55 0.03 0.00 -1.51 0.00 0.00 37.83 36.00 2nya s LYS 784 CO 0.51 -1.04 0.67 0.00 -0.36 0.00 0.00 175.35 175.13 2nya s ALA 786 N -2.71 3.32 0.08 0.00 0.00 -1.26 -0.09 121.76 121.09 2nya s ALA 786 Ca 0.20 -0.88 -0.16 0.00 0.00 0.00 0.00 51.96 51.13 2nya s ALA 786 Cb -0.03 -1.43 0.03 0.00 0.00 0.00 0.00 23.12 21.69 2nya s ALA 786 CO 0.14 0.63 0.37 0.08 0.00 0.00 0.00 175.76 176.97 2nya s VAL 787 N -1.01 0.07 0.06 0.00 1.01 -0.55 -4.57 120.40 115.41 2nya s VAL 787 Ca 0.17 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.56 2nya s VAL 787 Cb -0.11 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2nya s VAL 787 CO 0.07 -0.34 -0.07 -1.59 0.00 0.00 0.00 175.10 173.17 2nya s LYS 788 N -3.14 0.65 -0.12 2.72 -2.85 0.06 -1.15 119.74 115.91 2nya s LYS 788 Ca -0.01 -0.98 -0.00 0.00 -1.00 0.00 0.00 55.97 53.98 2nya s LYS 788 Cb 0.01 -0.27 -0.02 0.00 -2.06 0.00 0.00 37.83 35.49 2nya s LYS 788 CO -0.07 0.03 -0.11 -0.51 0.10 0.00 0.00 175.35 174.79 2nya s LEU 789 N -2.13 2.85 0.16 2.77 1.43 -1.26 -0.94 118.68 121.57 2nya s LEU 789 Ca -0.02 -0.25 0.09 0.00 -1.03 0.00 0.00 54.13 52.92 2nya s LEU 789 Cb -0.04 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 2nya s LEU 789 CO -0.01 0.21 -0.13 -1.83 0.23 0.00 0.00 176.35 174.81 2nya s GLU 790 N 0.12 1.93 0.00 1.70 -1.05 -0.77 -5.00 118.70 115.63 2nya s GLU 790 Ca -0.05 -1.27 0.20 0.00 -0.15 0.00 0.00 54.97 53.71 2nya s GLU 790 Cb -0.15 -2.12 1.22 0.00 -0.44 0.00 0.00 34.13 32.65 2nya s GLU 790 CO 0.04 0.44 1.60 1.63 0.95 0.00 0.00 175.26 179.93