#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1si8 s HIS 5 N 0.00 3.44 0.18 1.08 3.76 -1.26 -5.06 115.29 117.43 1si8 s HIS 5 Ca 0.00 0.46 -0.30 0.00 -0.15 0.00 0.00 55.06 55.07 1si8 s HIS 5 Cb 0.00 -2.23 -0.09 0.00 1.11 0.00 0.00 32.58 31.37 1si8 s HIS 5 CO 0.00 0.29 1.34 -1.17 -0.85 0.00 0.00 174.74 174.35 1si8 s LEU 6 N 0.33 4.40 0.34 0.89 2.96 -1.26 -4.95 118.68 121.40 1si8 s LEU 6 Ca 0.12 2.40 0.03 0.00 -0.22 0.00 0.00 54.13 56.47 1si8 s LEU 6 Cb -0.12 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 1si8 s LEU 6 CO 0.01 -0.58 0.09 0.42 -1.32 0.00 0.00 176.35 174.97 1si8 s THR 7 N 0.36 0.89 0.50 3.68 -4.23 -1.26 -0.36 115.64 115.21 1si8 s THR 7 Ca 0.59 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.05 1si8 s THR 7 Cb -0.37 -2.61 0.11 0.00 1.34 0.00 0.00 72.50 70.96 1si8 s THR 7 CO 0.37 0.00 0.68 0.35 -0.54 0.00 0.00 174.62 175.47 1si8 n THR 8 N -0.73 0.00 0.49 3.99 -2.24 0.10 -4.80 114.28 111.09 1si8 n THR 8 Ca -0.03 -0.75 0.09 0.00 -2.27 0.00 0.00 64.05 61.09 1si8 n THR 8 Cb 0.66 -1.39 0.40 0.00 -2.10 0.00 0.00 70.33 67.89 1si8 n THR 8 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1si8 n SER 9 N -3.21 0.28 -1.14 3.42 3.41 -1.26 -2.10 113.62 113.02 1si8 n SER 9 Ca 0.10 0.56 0.08 0.00 -0.26 0.00 0.00 58.87 59.36 1si8 n SER 9 Cb 0.34 -0.63 0.27 0.00 -0.26 0.00 0.00 64.21 63.94 1si8 n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1si8 n GLN 10 N -1.80 3.20 -0.90 4.33 1.13 -1.26 -4.97 117.38 117.11 1si8 n GLN 10 Ca 0.03 -2.59 0.00 0.00 -1.94 0.00 0.00 57.00 52.51 1si8 n GLN 10 Cb 0.21 -1.64 0.00 0.00 0.11 0.00 0.00 30.24 28.92 1si8 n GLN 10 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1si8 n GLY 11 N 0.73 0.69 3.74 1.08 0.00 -0.89 -5.04 105.19 105.51 1si8 n GLY 11 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 1si8 n GLY 11 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1si8 s SER 12 N -2.36 7.26 0.54 1.61 0.15 -1.26 -4.73 113.70 114.91 1si8 s SER 12 Ca 0.00 1.50 -0.21 0.00 0.70 0.00 0.00 55.95 57.94 1si8 s SER 12 Cb 0.00 -2.49 -0.05 0.00 -1.71 0.00 0.00 66.02 61.77 1si8 s SER 12 CO 0.00 -0.01 1.31 -2.16 1.20 0.00 0.00 173.24 173.58 1si8 s PRO 13 N 0.01 3.17 -0.25 5.44 0.04 -1.26 0.01 135.00 142.16 1si8 s PRO 13 Ca 0.40 2.12 -0.11 0.00 0.04 0.00 0.00 61.00 63.45 1si8 s PRO 13 Cb -0.21 -2.22 -0.05 0.00 0.04 0.00 0.00 34.50 32.06 1si8 s PRO 13 CO 0.24 -1.13 0.20 0.08 0.04 0.00 0.00 177.00 176.44 1si8 s VAL 14 N -1.37 5.32 -0.01 -0.36 1.01 0.51 -4.79 120.40 120.72 1si8 s VAL 14 Ca 0.72 0.25 -0.20 0.00 0.00 0.00 0.00 61.98 62.75 1si8 s VAL 14 Cb -0.38 -3.54 -0.27 0.00 0.00 0.00 0.00 36.38 32.19 1si8 s VAL 14 CO 0.44 0.31 1.02 1.23 0.00 0.00 0.00 175.10 178.10 1si8 h GLY 15 N 7.76 0.45 -7.14 4.51 0.00 -1.95 -3.45 103.07 103.25 1si8 h GLY 15 Ca -0.37 -0.93 -0.44 0.00 0.00 0.00 0.00 47.33 45.59 1si8 h GLY 15 CO 0.64 0.82 -0.76 -0.35 0.00 0.00 0.00 176.54 176.89 1si8 s ASP 16 N -6.93 1.81 -0.10 0.19 -1.08 -1.26 -5.00 116.67 104.29 1si8 s ASP 16 Ca -0.13 -0.25 0.16 0.00 -0.52 0.00 0.00 52.55 51.81 1si8 s ASP 16 Cb 0.03 -0.36 0.56 0.00 -1.46 0.00 0.00 42.92 41.69 1si8 s ASP 16 CO 0.84 -0.25 1.48 -3.20 0.52 0.00 0.00 175.17 174.56 1si8 n ASN 17 N 5.19 4.07 -0.00 -0.34 5.15 -1.26 -4.40 115.26 123.67 1si8 n ASN 17 Ca -0.06 -2.50 -0.00 0.00 -0.60 0.00 0.00 54.58 51.42 1si8 n ASN 17 Cb 0.49 -0.48 -0.00 0.00 -0.53 0.00 0.00 39.78 39.26 1si8 n ASN 17 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1si8 n GLN 18 N 0.51 3.62 -4.82 1.20 1.13 -1.26 -5.05 117.38 112.71 1si8 n GLN 18 Ca 0.21 -0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 55.01 1si8 n GLN 18 Cb 0.78 -1.01 -0.16 0.00 0.11 0.00 0.00 30.24 29.95 1si8 n GLN 18 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1si8 s ASN 19 N -3.00 2.11 0.53 1.08 0.01 -1.26 -5.13 114.94 109.29 1si8 s ASN 19 Ca -0.00 -0.34 -0.17 0.00 -0.71 0.00 0.00 52.86 51.63 1si8 s ASN 19 Cb 0.00 -0.58 -0.07 0.00 0.41 0.00 0.00 41.25 41.02 1si8 s ASN 19 CO 0.02 0.15 1.02 -0.44 -1.51 0.00 0.00 177.10 176.34 1si8 s SER 20 N 0.03 6.30 0.15 -1.22 0.01 -1.26 -4.87 113.70 112.85 1si8 s SER 20 Ca -0.03 1.71 -0.31 0.00 1.31 0.00 0.00 55.95 58.63 1si8 s SER 20 Cb -0.11 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.51 1si8 s SER 20 CO 0.02 -0.81 1.37 -0.76 0.41 0.00 0.00 173.24 173.47 1si8 s LEU 21 N -4.10 4.39 0.03 2.44 1.43 -1.26 -4.99 118.68 116.62 1si8 s LEU 21 Ca 0.62 2.38 0.02 0.00 -1.03 0.00 0.00 54.13 56.12 1si8 s LEU 21 Cb -0.13 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 1si8 s LEU 21 CO 0.31 -0.62 -0.07 0.28 0.23 0.00 0.00 176.35 176.48 1si8 s THR 22 N 0.69 0.44 -1.29 5.49 -1.32 -1.26 -1.57 115.64 116.83 1si8 s THR 22 Ca 0.62 -0.92 -0.16 0.00 -1.21 0.00 0.00 61.69 60.02 1si8 s THR 22 Cb -0.37 -0.50 0.10 0.00 -1.51 0.00 0.00 72.50 70.22 1si8 s THR 22 CO 0.34 -0.33 1.70 0.00 -2.21 0.00 0.00 174.62 174.12 1si8 n ALA 23 N 1.72 3.93 0.00 11.08 0.00 -0.46 -4.79 120.51 131.98 1si8 n ALA 23 Ca -0.21 -3.99 0.00 0.00 0.00 0.00 0.00 53.44 49.23 1si8 n ALA 23 Cb 0.55 -3.41 0.00 0.00 0.00 0.00 0.00 19.45 16.59 1si8 n ALA 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1si8 n GLY 24 N 4.76 0.71 0.34 0.00 0.00 -1.26 -3.50 105.19 106.24 1si8 n GLY 24 Ca 0.45 -1.65 0.13 0.00 0.00 0.00 0.00 46.02 44.95 1si8 n GLY 24 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1si8 h GLU 25 N 0.00 0.02 -0.28 1.61 4.81 -2.00 0.89 114.58 119.62 1si8 h GLU 25 Ca 0.00 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1si8 h GLU 25 Cb 0.00 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 1si8 h GLU 25 CO 0.00 0.01 -0.02 1.19 -0.73 0.00 0.00 179.01 179.47 1si8 n PHE 26 N -5.48 0.94 -2.33 0.92 3.01 -1.26 -5.03 117.46 108.24 1si8 n PHE 26 Ca 0.21 -1.15 -0.25 0.00 1.01 0.00 0.00 57.45 57.27 1si8 n PHE 26 Cb 0.70 -0.37 0.07 0.00 -0.01 0.00 0.00 39.48 39.88 1si8 n PHE 26 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1si8 s GLY 27 N -2.22 1.73 0.74 1.37 0.00 0.30 -5.04 107.32 104.21 1si8 s GLY 27 Ca 0.42 -1.12 -0.13 0.00 0.00 0.00 0.00 44.72 43.89 1si8 s GLY 27 CO 0.05 -0.70 1.13 2.56 0.00 0.00 0.00 173.10 176.14 1si8 s PRO 28 N -5.17 2.23 0.27 2.90 0.04 -1.26 -4.31 135.00 129.70 1si8 s PRO 28 Ca 0.61 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 1si8 s PRO 28 Cb -0.10 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 1si8 s PRO 28 CO 0.44 -1.70 1.06 0.08 0.04 0.00 0.00 177.00 176.92 1si8 s VAL 29 N -2.45 3.62 0.03 -0.36 1.01 -1.26 -1.36 120.40 119.63 1si8 s VAL 29 Ca 0.67 1.63 -0.17 0.00 0.00 0.00 0.00 61.98 64.11 1si8 s VAL 29 Cb -0.22 -4.04 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 1si8 s VAL 29 CO 0.49 0.39 0.49 -0.76 0.00 0.00 0.00 175.10 175.71 1si8 s LEU 30 N -1.36 4.50 0.56 3.92 1.43 -0.61 -4.93 118.68 122.19 1si8 s LEU 30 Ca 0.44 1.11 0.34 0.00 -1.03 0.00 0.00 54.13 54.99 1si8 s LEU 30 Cb -0.31 -2.74 1.54 0.00 0.03 0.00 0.00 46.19 44.72 1si8 s LEU 30 CO 0.39 0.29 2.06 -0.29 0.23 0.00 0.00 176.35 179.03 1si8 h ILE 31 N 3.64 0.16 0.00 -0.59 2.10 -1.96 -2.66 117.51 118.20 1si8 h ILE 31 Ca -0.50 -0.49 0.00 0.00 1.08 0.00 0.00 64.86 64.95 1si8 h ILE 31 Cb 1.22 1.41 0.00 0.00 -1.09 0.00 0.00 36.82 38.36 1si8 h ILE 31 CO 0.63 0.05 0.00 0.00 -1.08 0.00 0.00 178.15 177.74 1si8 n GLN 32 N -3.21 0.76 -2.22 2.19 10.64 -1.26 -4.21 117.38 120.07 1si8 n GLN 32 Ca -0.01 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.74 1si8 n GLN 32 Cb 0.26 -1.42 0.00 0.00 -0.86 0.00 0.00 30.24 28.22 1si8 n GLN 32 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1si8 n ASP 33 N -0.92 4.52 -0.12 2.61 -0.08 -1.00 -4.75 116.55 116.81 1si8 n ASP 33 Ca 0.15 -2.91 0.13 0.00 -1.51 0.00 0.00 54.79 50.65 1si8 n ASP 33 Cb 0.07 -1.67 0.50 0.00 2.34 0.00 0.00 41.12 42.36 1si8 n ASP 33 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1si8 h VAL 34 N 4.62 0.87 -0.39 5.18 -1.51 -1.89 -1.79 116.25 121.34 1si8 h VAL 34 Ca 0.48 -0.15 -0.14 0.00 -1.23 0.00 0.00 66.70 65.67 1si8 h VAL 34 Cb 0.75 0.40 -0.01 0.00 -2.13 0.00 0.00 31.29 30.30 1si8 h VAL 34 CO 1.64 0.08 -0.32 -0.74 -1.23 0.00 0.00 177.57 177.00 1si8 h HIS 35 N 0.42 1.02 -0.13 5.19 -0.00 -1.95 0.19 115.15 119.89 1si8 h HIS 35 Ca 0.31 -0.28 0.02 0.00 -0.00 0.00 0.00 60.37 60.42 1si8 h HIS 35 Cb 0.64 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.81 1si8 h HIS 35 CO -0.00 1.07 0.03 1.25 -0.00 0.00 0.00 177.93 180.28 1si8 h LEU 36 N 0.73 0.01 -0.06 0.26 5.85 -1.74 0.17 115.31 120.53 1si8 h LEU 36 Ca 0.08 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1si8 h LEU 36 Cb 0.88 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.91 1si8 h LEU 36 CO 0.08 0.03 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.04 1si8 h LEU 37 N 0.08 -0.28 -0.29 2.25 4.07 -1.27 -1.46 115.31 118.42 1si8 h LEU 37 Ca 0.06 0.05 -0.00 0.00 0.08 0.00 0.00 57.88 58.07 1si8 h LEU 37 Cb 0.05 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 1si8 h LEU 37 CO -0.08 -0.13 0.17 -0.08 -1.08 0.00 0.00 178.44 177.25 1si8 h GLU 38 N -0.13 0.39 -0.57 1.13 4.81 -0.62 0.11 114.58 119.70 1si8 h GLU 38 Ca 0.06 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1si8 h GLU 38 Cb 0.21 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1si8 h GLU 38 CO -0.14 0.31 0.37 -0.22 -0.73 0.00 0.00 179.01 178.60 1si8 h LYS 39 N 0.36 0.73 -0.35 1.92 3.64 -0.54 -0.18 116.57 122.15 1si8 h LYS 39 Ca 0.10 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 1si8 h LYS 39 Cb 0.02 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1si8 h LYS 39 CO -0.02 0.48 -0.32 -0.07 -2.27 0.00 0.00 179.45 177.26 1si8 h LEU 40 N 0.75 0.89 -0.65 5.20 4.07 -1.10 -2.35 115.31 122.13 1si8 h LEU 40 Ca 0.21 -0.46 -0.09 0.00 0.08 0.00 0.00 57.88 57.62 1si8 h LEU 40 Cb -0.07 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.39 1si8 h LEU 40 CO -0.05 1.17 0.03 0.00 -1.08 0.00 0.00 178.44 178.51 1si8 h ALA 41 N 0.75 0.87 -0.15 1.53 0.00 -0.49 -0.28 119.26 121.48 1si8 h ALA 41 Ca 0.06 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 1si8 h ALA 41 Cb 0.90 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1si8 h ALA 41 CO 0.08 0.67 -0.61 1.25 0.00 0.00 0.00 179.25 180.64 1si8 h HIS 42 N 0.99 0.68 -0.86 0.00 -0.00 -1.05 -2.67 115.15 112.24 1si8 h HIS 42 Ca 0.18 -0.26 -0.01 0.00 -0.00 0.00 0.00 60.37 60.28 1si8 h HIS 42 Cb 0.53 -0.12 -0.04 0.00 -0.00 0.00 0.00 27.41 27.77 1si8 h HIS 42 CO 0.04 1.01 0.50 0.35 -0.00 0.00 0.00 177.93 179.82 1si8 h PHE 43 N 0.39 1.16 0.00 5.26 3.57 -1.19 -1.77 116.94 124.37 1si8 h PHE 43 Ca -0.01 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1si8 h PHE 43 Cb 1.17 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.54 1si8 h PHE 43 CO 0.05 0.79 0.00 -0.91 -2.23 0.00 0.00 178.31 176.01 1si8 h ASN 44 N 1.19 0.00 -0.31 0.41 2.35 -0.71 -2.85 115.58 115.66 1si8 h ASN 44 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1si8 h ASN 44 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1si8 h ASN 44 CO -0.05 0.00 0.00 0.54 -1.65 0.00 0.00 177.43 176.27 1si8 n ARG 45 N -2.89 2.96 0.09 0.81 1.74 -0.68 -4.64 116.66 114.04 1si8 n ARG 45 Ca -0.01 -2.53 0.00 0.00 -0.77 0.00 0.00 57.85 54.54 1si8 n ARG 45 Cb 0.15 -1.62 0.32 0.00 -1.02 0.00 0.00 32.46 30.28 1si8 n ARG 45 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1si8 h GLU 46 N 1.97 0.29 -6.52 5.56 5.08 -1.35 -3.44 114.58 116.18 1si8 h GLU 46 Ca 0.00 -0.09 -0.52 0.00 -1.00 0.00 0.00 59.36 57.75 1si8 h GLU 46 Cb 1.17 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1si8 h GLU 46 CO 0.14 0.49 0.23 1.03 -1.00 0.00 0.00 179.01 179.90 1si8 s ARG 47 N -4.57 4.62 0.27 2.33 1.81 -1.26 -5.07 118.95 117.08 1si8 s ARG 47 Ca -0.06 1.23 0.09 0.00 -1.72 0.00 0.00 55.73 55.28 1si8 s ARG 47 Cb 0.15 -3.30 -0.05 0.00 -0.45 0.00 0.00 34.95 31.29 1si8 s ARG 47 CO 0.75 0.46 -0.13 0.14 -0.68 0.00 0.00 175.30 175.84 1si8 s VAL 48 N -0.79 2.01 0.31 3.52 -7.23 -1.26 -5.10 120.40 111.86 1si8 s VAL 48 Ca 0.39 -2.25 -0.29 0.00 -1.81 0.00 0.00 61.98 58.02 1si8 s VAL 48 Cb -0.23 -2.31 -0.10 0.00 0.56 0.00 0.00 36.38 34.29 1si8 s VAL 48 CO 0.27 -0.40 1.37 -2.16 -0.31 0.00 0.00 175.10 173.86 1si8 s PRO 49 N -3.62 4.30 0.78 4.82 0.04 -1.26 -4.98 135.00 135.08 1si8 s PRO 49 Ca 0.28 2.28 -0.11 0.00 0.04 0.00 0.00 61.00 63.49 1si8 s PRO 49 Cb -0.00 -3.07 0.06 0.00 0.04 0.00 0.00 34.50 31.53 1si8 s PRO 49 CO 0.12 -0.30 1.09 -1.83 0.04 0.00 0.00 177.00 176.12 1si8 s GLU 50 N -1.38 2.20 0.38 4.56 -1.05 -1.26 -4.93 118.70 117.22 1si8 s GLU 50 Ca 0.52 0.74 -0.28 0.00 -0.15 0.00 0.00 54.97 55.81 1si8 s GLU 50 Cb -0.41 -1.92 -0.11 0.00 -0.44 0.00 0.00 34.13 31.25 1si8 s GLU 50 CO 0.51 -1.57 1.47 1.03 0.95 0.00 0.00 175.26 177.65 1si8 s ARG 51 N -5.10 4.07 0.50 -4.83 0.52 -1.26 -4.86 118.95 107.99 1si8 s ARG 51 Ca 0.60 2.54 0.19 0.00 -0.52 0.00 0.00 55.73 58.54 1si8 s ARG 51 Cb -0.15 -2.94 1.25 0.00 0.52 0.00 0.00 34.95 33.64 1si8 s ARG 51 CO 0.55 -0.55 2.05 -0.24 0.02 0.00 0.00 175.30 177.13 1si8 h VAL 52 N 2.90 0.88 -4.08 3.52 3.04 -1.98 -3.38 116.25 117.15 1si8 h VAL 52 Ca -0.51 -0.04 -0.12 0.00 -1.01 0.00 0.00 66.70 65.03 1si8 h VAL 52 Cb 1.24 0.76 -0.16 0.00 -2.01 0.00 0.00 31.29 31.13 1si8 h VAL 52 CO 0.64 0.02 -0.61 0.68 -1.01 0.00 0.00 177.57 177.29 1si8 s VAL 53 N -5.13 0.18 -1.37 1.51 -7.23 -1.26 -4.88 120.40 102.22 1si8 s VAL 53 Ca -0.06 -1.52 -0.04 0.00 -1.81 0.00 0.00 61.98 58.55 1si8 s VAL 53 Cb 0.19 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.85 1si8 s VAL 53 CO 0.71 -0.84 0.58 1.41 -0.31 0.00 0.00 175.10 176.65 1si8 n HIS 54 N 0.31 -1.81 -0.17 2.82 -0.00 -0.36 -4.91 115.22 111.10 1si8 n HIS 54 Ca -0.16 0.50 -0.06 0.00 -0.00 0.00 0.00 57.72 57.99 1si8 n HIS 54 Cb 0.60 -4.16 0.10 0.00 -0.00 0.00 0.00 29.99 26.54 1si8 n HIS 54 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1si8 h ALA 55 N 0.89 0.99 -2.01 -1.41 0.00 -1.73 -3.41 119.26 112.58 1si8 h ALA 55 Ca -0.48 -0.28 -0.64 0.00 0.00 0.00 0.00 54.91 53.52 1si8 h ALA 55 Cb 1.33 -0.22 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 1si8 h ALA 55 CO 0.51 0.62 0.32 0.21 0.00 0.00 0.00 179.25 180.91 1si8 s LYS 56 N -5.06 3.30 0.34 0.00 2.47 -1.25 -4.70 119.74 114.84 1si8 s LYS 56 Ca -0.11 -0.35 -0.01 0.00 -1.56 0.00 0.00 55.97 53.94 1si8 s LYS 56 Cb 0.14 -4.01 -0.00 0.00 -1.46 0.00 0.00 37.83 32.50 1si8 s LYS 56 CO 0.83 -1.23 0.44 0.20 0.16 0.00 0.00 175.35 175.75 1si8 s GLY 57 N 2.44 1.58 0.02 5.54 0.00 -1.26 -2.47 107.32 113.16 1si8 s GLY 57 Ca 0.26 -1.58 -0.01 0.00 0.00 0.00 0.00 44.72 43.39 1si8 s GLY 57 CO 0.19 -1.06 -0.02 0.00 0.00 0.00 0.00 173.10 172.21 1si8 s ALA 58 N -3.15 0.11 0.20 3.20 0.00 -0.17 -4.97 121.76 116.98 1si8 s ALA 58 Ca 0.32 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.70 1si8 s ALA 58 Cb 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 1si8 s ALA 58 CO 0.21 -0.17 0.05 0.20 0.00 0.00 0.00 175.76 176.05 1si8 s GLY 59 N -1.52 1.39 -0.10 0.00 0.00 -1.26 -0.30 107.32 105.54 1si8 s GLY 59 Ca -0.15 -1.68 -0.30 0.00 0.00 0.00 0.00 44.72 42.58 1si8 s GLY 59 CO -0.01 -1.52 0.83 0.00 0.00 0.00 0.00 173.10 172.39 1si8 s ALA 60 N -3.78 -1.84 0.35 3.20 0.00 -0.62 -4.48 121.76 114.59 1si8 s ALA 60 Ca 0.30 1.42 -0.06 0.00 0.00 0.00 0.00 51.96 53.62 1si8 s ALA 60 Cb 0.07 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 1si8 s ALA 60 CO 0.08 -0.36 0.64 -1.01 0.00 0.00 0.00 175.76 175.11 1si8 s HIS 61 N -1.24 3.49 0.00 0.00 3.76 0.11 -1.22 115.29 120.19 1si8 s HIS 61 Ca -0.06 0.72 0.00 0.00 -0.15 0.00 0.00 55.06 55.57 1si8 s HIS 61 Cb -0.00 -2.18 0.00 0.00 1.11 0.00 0.00 32.58 31.50 1si8 s HIS 61 CO 0.05 0.04 0.00 0.41 -0.85 0.00 0.00 174.74 174.39 1si8 n GLY 62 N -1.31 2.15 3.21 -2.22 0.00 -0.16 -1.47 105.19 105.40 1si8 n GLY 62 Ca -0.01 -0.62 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 1si8 n GLY 62 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1si8 s ILE 63 N -2.26 0.12 -0.06 -0.61 -4.36 0.01 -1.48 121.20 112.56 1si8 s ILE 63 Ca 0.00 -0.96 0.05 0.00 -0.26 0.00 0.00 60.65 59.49 1si8 s ILE 63 Cb 0.00 -1.12 -0.01 0.00 1.25 0.00 0.00 42.46 42.59 1si8 s ILE 63 CO 0.00 -0.53 -0.23 0.12 0.24 0.00 0.00 174.94 174.54 1si8 s PHE 64 N -3.20 2.25 -0.11 1.37 5.36 0.19 -0.95 117.98 122.89 1si8 s PHE 64 Ca -0.00 -0.69 0.01 0.00 -0.96 0.00 0.00 56.93 55.29 1si8 s PHE 64 Cb 0.02 -1.49 0.02 0.00 -0.34 0.00 0.00 43.02 41.22 1si8 s PHE 64 CO -0.07 -0.22 -0.14 0.21 -1.46 0.00 0.00 175.22 173.53 1si8 s LYS 65 N -0.05 2.11 0.13 10.12 2.20 0.01 -0.97 119.74 133.28 1si8 s LYS 65 Ca -0.05 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 54.74 1si8 s LYS 65 Cb -0.14 -1.85 -0.07 0.00 -1.51 0.00 0.00 37.83 34.26 1si8 s LYS 65 CO 0.04 -0.11 1.26 0.08 -0.36 0.00 0.00 175.35 176.26 1si8 s VAL 66 N 1.14 3.59 -0.06 4.02 1.01 -0.53 -0.65 120.40 128.92 1si8 s VAL 66 Ca -0.04 1.21 0.12 0.00 0.00 0.00 0.00 61.98 63.28 1si8 s VAL 66 Cb -0.14 -3.78 -0.18 0.00 0.00 0.00 0.00 36.38 32.28 1si8 s VAL 66 CO -0.04 0.14 0.18 -1.54 0.00 0.00 0.00 175.10 173.84 1si8 n SER 67 N 3.33 1.98 -3.67 3.32 3.41 0.64 0.49 113.62 123.12 1si8 n SER 67 Ca 0.08 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.48 1si8 n SER 67 Cb 0.44 1.26 -0.18 0.00 -0.26 0.00 0.00 64.21 65.48 1si8 n SER 67 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1si8 s GLN 68 N -2.65 -0.02 0.42 4.33 -0.21 -0.63 -4.80 119.66 116.09 1si8 s GLN 68 Ca -0.05 0.32 -0.26 0.00 0.02 0.00 0.00 55.36 55.39 1si8 s GLN 68 Cb 0.06 -0.66 -0.09 0.00 1.00 0.00 0.00 33.01 33.33 1si8 s GLN 68 CO 0.53 -0.36 1.40 0.45 -2.12 0.00 0.00 175.29 175.19 1si8 s SER 69 N 2.15 6.13 -0.10 5.90 0.15 -1.26 -4.72 113.70 121.96 1si8 s SER 69 Ca 0.05 2.86 0.13 0.00 0.70 0.00 0.00 55.95 59.69 1si8 s SER 69 Cb -0.12 -2.65 0.37 0.00 -1.71 0.00 0.00 66.02 61.91 1si8 s SER 69 CO -0.04 -0.99 1.29 0.23 1.20 0.00 0.00 173.24 174.93 1si8 n MET 70 N 0.08 2.71 -0.10 5.44 0.00 -0.79 -4.73 117.12 119.74 1si8 n MET 70 Ca 0.04 -2.41 0.26 0.00 0.00 0.00 0.00 57.70 55.58 1si8 n MET 70 Cb 0.42 -1.53 0.72 0.00 0.00 0.00 0.00 33.22 32.83 1si8 n MET 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1si8 h ALA 71 N 1.47 2.65 0.00 3.04 0.00 -1.71 0.20 119.26 124.91 1si8 h ALA 71 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1si8 h ALA 71 Cb 1.06 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1si8 h ALA 71 CO 0.10 -0.98 0.00 1.96 0.00 0.00 0.00 179.25 180.33 1si8 h GLN 72 N 0.00 0.00 0.00 0.00 4.20 -1.96 -3.32 115.11 114.03 1si8 h GLN 72 Ca 0.36 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.90 1si8 h GLN 72 Cb 1.54 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.29 1si8 h GLN 72 CO -0.00 0.00 -1.64 0.66 -0.67 0.00 0.00 178.83 177.17 1si8 n TYR 73 N -3.02 0.00 -3.76 2.96 4.01 0.57 -4.80 117.16 113.11 1si8 n TYR 73 Ca 0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.62 1si8 n TYR 73 Cb 0.30 -0.46 -0.10 0.00 -0.31 0.00 0.00 39.34 38.77 1si8 n TYR 73 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1si8 s THR 74 N -2.23 0.03 -2.03 -0.72 -1.32 -0.31 -3.02 115.64 106.04 1si8 s THR 74 Ca -0.06 -0.21 0.10 0.00 -1.21 0.00 0.00 61.69 60.31 1si8 s THR 74 Cb 0.03 -0.54 0.27 0.00 -1.51 0.00 0.00 72.50 70.75 1si8 s THR 74 CO 0.37 -0.11 1.26 2.29 -2.21 0.00 0.00 174.62 176.21 1si8 n LYS 75 N 2.18 1.60 -1.64 7.08 2.85 -0.49 -3.91 118.16 125.85 1si8 n LYS 75 Ca -0.17 -0.93 -0.53 0.00 -1.05 0.00 0.00 58.31 55.63 1si8 n LYS 75 Cb 0.57 -1.23 -0.06 0.00 -0.65 0.00 0.00 35.03 33.66 1si8 n LYS 75 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1si8 n ALA 76 N 0.24 0.49 -0.21 0.58 0.00 -1.19 -4.76 120.51 115.67 1si8 n ALA 76 Ca 0.10 0.24 -0.02 0.00 0.00 0.00 0.00 53.44 53.76 1si8 n ALA 76 Cb 0.23 -2.40 0.09 0.00 0.00 0.00 0.00 19.45 17.37 1si8 n ALA 76 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1si8 h ASP 77 N 9.20 0.39 0.26 0.00 1.82 -1.91 -2.25 116.42 123.93 1si8 h ASP 77 Ca -0.43 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.26 1si8 h ASP 77 Cb 1.30 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.29 1si8 h ASP 77 CO 0.97 0.25 0.00 2.22 -1.61 0.00 0.00 179.24 181.07 1si8 n PHE 78 N -4.88 0.00 -0.72 0.28 -1.74 -1.26 -1.91 117.46 107.23 1si8 n PHE 78 Ca 0.08 0.00 0.07 0.00 -0.56 0.00 0.00 57.45 57.04 1si8 n PHE 78 Cb 0.20 -0.41 0.13 0.00 1.52 0.00 0.00 39.48 40.92 1si8 n PHE 78 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1si8 n LEU 79 N -1.41 2.60 0.04 5.98 4.77 -0.86 -4.79 117.00 123.33 1si8 n LEU 79 Ca 0.03 -2.72 -0.12 0.00 -0.03 0.00 0.00 56.01 53.17 1si8 n LEU 79 Cb 0.10 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 1si8 n LEU 79 CO 0.08 0.65 0.29 0.77 -1.33 0.00 0.00 177.39 177.85 1si8 h SER 80 N 0.52 0.58 -4.06 -1.43 4.64 -1.29 -2.09 113.55 110.42 1si8 h SER 80 Ca 0.00 -0.40 -0.50 0.00 -0.47 0.00 0.00 61.79 60.41 1si8 h SER 80 Cb 0.94 -0.17 -0.20 0.00 -0.31 0.00 0.00 62.40 62.65 1si8 h SER 80 CO 0.04 1.17 -0.80 -1.61 -0.87 0.00 0.00 176.83 174.77 1si8 s GLU 81 N -3.53 1.09 0.22 4.77 2.02 -1.26 -4.55 118.70 117.46 1si8 s GLU 81 Ca -0.07 -1.20 -0.30 0.00 0.02 0.00 0.00 54.97 53.42 1si8 s GLU 81 Cb 0.10 -1.21 -0.09 0.00 0.10 0.00 0.00 34.13 33.02 1si8 s GLU 81 CO 0.86 0.26 1.38 0.08 0.02 0.00 0.00 175.26 177.87 1si8 s VAL 82 N -1.55 2.90 0.00 2.63 1.01 -1.26 -2.14 120.40 122.00 1si8 s VAL 82 Ca 0.08 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1si8 s VAL 82 Cb -0.08 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1si8 s VAL 82 CO 0.04 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.87 1si8 n GLY 83 N 2.31 1.86 3.71 4.51 0.00 0.18 -4.97 105.19 112.79 1si8 n GLY 83 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1si8 n GLY 83 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1si8 s LYS 84 N -0.28 4.16 -0.09 1.61 2.20 -0.91 -4.60 119.74 121.83 1si8 s LYS 84 Ca 0.00 2.49 -0.03 0.00 -0.36 0.00 0.00 55.97 58.07 1si8 s LYS 84 Cb 0.00 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 1si8 s LYS 84 CO 0.00 -0.73 0.03 -1.21 -0.36 0.00 0.00 175.35 173.08 1si8 s GLU 85 N 1.79 3.09 -0.04 4.03 2.02 -1.26 -1.45 118.70 126.88 1si8 s GLU 85 Ca 0.75 -0.34 0.01 0.00 0.02 0.00 0.00 54.97 55.40 1si8 s GLU 85 Cb -0.46 -2.88 0.02 0.00 0.10 0.00 0.00 34.13 30.91 1si8 s GLU 85 CO 0.33 0.72 -0.02 0.99 0.02 0.00 0.00 175.26 177.30 1si8 s THR 86 N -0.92 0.38 0.53 3.63 2.01 -0.15 -4.96 115.64 116.16 1si8 s THR 86 Ca 0.14 -0.02 -0.21 0.00 0.31 0.00 0.00 61.69 61.92 1si8 s THR 86 Cb -0.11 -0.45 -0.06 0.00 0.01 0.00 0.00 72.50 71.89 1si8 s THR 86 CO 0.03 0.20 1.19 -2.84 -0.69 0.00 0.00 174.62 172.51 1si8 s PRO 87 N 1.07 3.34 0.16 4.92 0.02 -1.26 -0.64 135.00 142.62 1si8 s PRO 87 Ca -0.09 1.80 -0.13 0.00 0.02 0.00 0.00 61.00 62.60 1si8 s PRO 87 Cb -0.14 -2.14 0.01 0.00 0.02 0.00 0.00 34.50 32.26 1si8 s PRO 87 CO -0.01 -0.90 0.38 -0.48 -0.33 0.00 0.00 177.00 175.66 1si8 s LEU 88 N -3.61 0.60 -0.02 -5.54 0.05 -0.55 -1.54 118.68 108.07 1si8 s LEU 88 Ca 0.71 -0.63 0.02 0.00 0.05 0.00 0.00 54.13 54.28 1si8 s LEU 88 Cb -0.29 1.62 0.01 0.00 -2.05 0.00 0.00 46.19 45.47 1si8 s LEU 88 CO 0.33 -0.93 -0.07 0.12 -0.55 0.00 0.00 176.35 175.25 1si8 s PHE 89 N -3.90 0.74 0.11 3.48 5.36 -0.49 -0.98 117.98 122.29 1si8 s PHE 89 Ca 0.11 -0.17 0.09 0.00 -0.96 0.00 0.00 56.93 56.00 1si8 s PHE 89 Cb 0.02 -0.55 -0.04 0.00 -0.34 0.00 0.00 43.02 42.11 1si8 s PHE 89 CO -0.04 -0.09 -0.23 0.00 -1.46 0.00 0.00 175.22 173.40 1si8 s ALA 90 N 0.27 2.03 -0.05 11.12 0.00 -0.36 -0.80 121.76 133.97 1si8 s ALA 90 Ca -0.03 -1.32 -0.00 0.00 0.00 0.00 0.00 51.96 50.60 1si8 s ALA 90 Cb -0.08 -0.31 0.03 0.00 0.00 0.00 0.00 23.12 22.76 1si8 s ALA 90 CO 0.00 0.43 -0.01 0.50 0.00 0.00 0.00 175.76 176.68 1si8 s ARG 91 N -1.92 0.58 0.11 0.00 3.52 -0.33 -1.59 118.95 119.33 1si8 s ARG 91 Ca 0.09 0.04 0.05 0.00 -0.13 0.00 0.00 55.73 55.79 1si8 s ARG 91 Cb -0.10 -0.79 -0.04 0.00 -1.56 0.00 0.00 34.95 32.46 1si8 s ARG 91 CO 0.05 -0.19 0.01 -0.06 -0.81 0.00 0.00 175.30 174.29 1si8 s PHE 92 N 1.40 2.97 0.16 5.12 0.08 0.59 -1.69 117.98 126.60 1si8 s PHE 92 Ca -0.04 -0.05 -0.24 0.00 0.12 0.00 0.00 56.93 56.72 1si8 s PHE 92 Cb -0.13 -1.50 0.07 0.00 -0.57 0.00 0.00 43.02 40.89 1si8 s PHE 92 CO -0.03 0.49 1.01 -1.54 -0.10 0.00 0.00 175.22 175.05 1si8 s SER 93 N -2.50 -0.10 0.12 1.36 1.04 -1.13 -1.00 113.70 111.49 1si8 s SER 93 Ca 0.26 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.19 1si8 s SER 93 Cb -0.11 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1si8 s SER 93 CO 0.19 -0.92 0.00 0.35 0.98 0.00 0.00 173.24 173.84 1si8 n THR 94 N -0.56 0.00 -0.00 2.02 -2.24 -1.03 0.53 114.28 113.00 1si8 n THR 94 Ca -0.05 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.69 1si8 n THR 94 Cb 0.60 -1.14 -0.01 0.00 -2.10 0.00 0.00 70.33 67.68 1si8 n THR 94 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1si8 n VAL 95 N -0.94 1.12 0.11 2.28 0.31 -1.25 -3.68 118.33 116.28 1si8 n VAL 95 Ca 0.00 0.23 -0.21 0.00 -0.01 0.00 0.00 64.34 64.35 1si8 n VAL 95 Cb 0.00 -1.77 -0.13 0.00 -0.91 0.00 0.00 33.84 31.03 1si8 n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1si8 h ALA 96 N -0.29 0.02 -2.91 3.52 0.00 -1.92 -0.95 119.26 116.72 1si8 h ALA 96 Ca -0.05 -0.81 -0.56 0.00 0.00 0.00 0.00 54.91 53.50 1si8 h ALA 96 Cb 0.50 0.10 0.14 0.00 0.00 0.00 0.00 17.79 18.52 1si8 h ALA 96 CO -0.03 0.76 0.54 0.41 0.00 0.00 0.00 179.25 180.93 1si8 n GLY 97 N 1.44 0.64 3.10 0.00 0.00 -1.26 -4.92 105.19 104.19 1si8 n GLY 97 Ca -0.13 0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 1si8 n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1si8 n GLU 98 N -0.57 -0.79 -0.34 1.61 4.71 -1.26 -3.92 120.64 120.08 1si8 n GLU 98 Ca 0.09 -1.78 0.19 0.00 -0.01 0.00 0.00 57.16 55.65 1si8 n GLU 98 Cb 0.43 -0.97 0.41 0.00 -1.01 0.00 0.00 31.44 30.30 1si8 n GLU 98 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1si8 h LEU 99 N 0.00 0.63 -1.59 -4.62 3.38 -1.96 -1.92 115.31 109.22 1si8 h LEU 99 Ca -0.33 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1si8 h LEU 99 Cb 0.96 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1si8 h LEU 99 CO 0.25 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.50 1si8 n GLY 100 N -1.35 0.79 3.70 0.83 0.00 -1.26 -4.83 105.19 103.07 1si8 n GLY 100 Ca 0.26 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1si8 n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1si8 s SER 101 N -1.70 3.47 0.51 1.61 1.04 -0.72 -5.01 113.70 112.90 1si8 s SER 101 Ca 0.34 1.83 -0.17 0.00 0.48 0.00 0.00 55.95 58.44 1si8 s SER 101 Cb 0.20 -2.44 -0.08 0.00 0.10 0.00 0.00 66.02 63.81 1si8 s SER 101 CO 0.30 -2.69 0.99 -0.44 0.98 0.00 0.00 173.24 172.37 1si8 s SER 102 N -3.10 6.59 0.03 7.02 0.01 -1.26 -4.87 113.70 118.11 1si8 s SER 102 Ca 0.64 1.59 -0.18 0.00 1.31 0.00 0.00 55.95 59.31 1si8 s SER 102 Cb -0.20 -2.51 -0.22 0.00 0.21 0.00 0.00 66.02 63.30 1si8 s SER 102 CO 0.58 -0.61 1.15 0.44 0.41 0.00 0.00 173.24 175.21 1si8 h ASP 103 N 0.96 0.62 0.00 2.44 3.32 -1.23 -3.38 116.42 119.16 1si8 h ASP 103 Ca -0.47 -0.72 -0.23 0.00 0.02 0.00 0.00 57.03 55.64 1si8 h ASP 103 Cb 1.19 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 40.50 1si8 h ASP 103 CO 0.61 1.25 0.20 0.35 -1.72 0.00 0.00 179.24 179.93 1si8 n THR 104 N -4.16 2.84 -4.15 0.35 -2.24 -1.26 -4.88 114.28 100.77 1si8 n THR 104 Ca -0.10 -1.47 -0.22 0.00 -2.27 0.00 0.00 64.05 59.99 1si8 n THR 104 Cb 0.68 -2.02 -0.05 0.00 -2.10 0.00 0.00 70.33 66.84 1si8 n THR 104 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1si8 s LEU 105 N 0.02 3.70 -0.16 3.22 1.43 -1.26 -4.47 118.68 121.16 1si8 s LEU 105 Ca 0.60 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 53.10 1si8 s LEU 105 Cb 0.27 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 1si8 s LEU 105 CO -0.01 -0.02 1.16 -0.60 0.23 0.00 0.00 176.35 177.11 1si8 s ARG 106 N -3.75 4.28 -0.29 1.70 3.52 -1.26 -4.71 118.95 118.43 1si8 s ARG 106 Ca 0.32 1.54 -0.38 0.00 -0.13 0.00 0.00 55.73 57.09 1si8 s ARG 106 Cb -0.08 -3.67 0.16 0.00 -1.56 0.00 0.00 34.95 29.81 1si8 s ARG 106 CO 0.24 -0.60 1.39 0.34 -0.81 0.00 0.00 175.30 175.86 1si8 s ASP 107 N 1.57 -0.01 0.76 -2.12 2.15 -1.02 -5.04 116.67 112.96 1si8 s ASP 107 Ca 0.51 0.00 -0.11 0.00 0.43 0.00 0.00 52.55 53.38 1si8 s ASP 107 Cb -0.20 0.01 0.05 0.00 -0.30 0.00 0.00 42.92 42.48 1si8 s ASP 107 CO 0.13 -0.01 1.08 -2.84 -0.17 0.00 0.00 175.17 173.36 1si8 s PRO 108 N -1.90 2.36 -0.07 4.34 0.02 -1.26 -4.73 135.00 133.75 1si8 s PRO 108 Ca 0.12 0.96 0.03 0.00 0.02 0.00 0.00 61.00 62.13 1si8 s PRO 108 Cb -0.01 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.57 1si8 s PRO 108 CO -0.03 -1.51 -0.17 1.03 -0.33 0.00 0.00 177.00 175.99 1si8 s ARG 109 N -5.00 2.74 0.38 5.54 1.81 -1.26 -3.75 118.95 119.41 1si8 s ARG 109 Ca 0.60 -0.75 -0.25 0.00 -1.72 0.00 0.00 55.73 53.62 1si8 s ARG 109 Cb -0.16 -2.39 -0.09 0.00 -0.45 0.00 0.00 34.95 31.87 1si8 s ARG 109 CO 0.55 0.45 1.04 0.20 -0.68 0.00 0.00 175.30 176.87 1si8 s GLY 110 N -0.30 2.76 -0.43 -3.53 0.00 0.19 -0.83 107.32 105.17 1si8 s GLY 110 Ca 0.02 0.69 0.06 0.00 0.00 0.00 0.00 44.72 45.49 1si8 s GLY 110 CO 0.03 1.13 0.49 0.33 0.00 0.00 0.00 173.10 175.07 1si8 n PHE 111 N 0.09 -0.00 -3.30 1.90 -0.00 0.10 -2.84 117.46 113.41 1si8 n PHE 111 Ca 0.04 -3.57 -0.38 0.00 -0.00 0.00 0.00 57.45 53.54 1si8 n PHE 111 Cb 0.49 -0.20 -0.06 0.00 -0.00 0.00 0.00 39.48 39.72 1si8 n PHE 111 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1si8 s ALA 112 N -0.94 3.47 -0.05 3.13 0.00 -0.68 -1.50 121.76 125.18 1si8 s ALA 112 Ca 0.34 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.15 1si8 s ALA 112 Cb 0.12 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1si8 s ALA 112 CO -0.13 -0.02 -0.14 -0.51 0.00 0.00 0.00 175.76 174.96 1si8 s LEU 113 N 0.67 1.79 -0.23 0.00 1.02 0.29 -1.18 118.68 121.04 1si8 s LEU 113 Ca 0.26 -0.31 0.02 0.00 0.02 0.00 0.00 54.13 54.12 1si8 s LEU 113 Cb -0.15 -0.87 0.05 0.00 0.02 0.00 0.00 46.19 45.24 1si8 s LEU 113 CO 0.11 0.09 -0.13 -0.75 0.02 0.00 0.00 176.35 175.68 1si8 s LYS 114 N 0.34 2.41 -0.28 1.70 2.20 0.02 -0.41 119.74 125.73 1si8 s LYS 114 Ca -0.09 -1.16 -0.14 0.00 -0.36 0.00 0.00 55.97 54.22 1si8 s LYS 114 Cb -0.13 -2.76 -0.04 0.00 -1.51 0.00 0.00 37.83 33.39 1si8 s LYS 114 CO 0.03 -0.46 0.31 -0.06 -0.36 0.00 0.00 175.35 174.81 1si8 s PHE 115 N 1.18 3.24 -1.17 4.03 0.40 0.11 -1.39 117.98 124.37 1si8 s PHE 115 Ca -0.05 0.30 -0.16 0.00 -0.60 0.00 0.00 56.93 56.42 1si8 s PHE 115 Cb -0.18 -2.51 0.13 0.00 0.51 0.00 0.00 43.02 40.97 1si8 s PHE 115 CO -0.07 -0.22 1.46 0.71 0.70 0.00 0.00 175.22 177.80 1si8 s TYR 116 N 1.97 3.18 0.63 0.36 2.02 -0.59 -0.77 117.35 124.15 1si8 s TYR 116 Ca 0.12 -1.79 -0.05 0.00 -0.37 0.00 0.00 57.07 54.99 1si8 s TYR 116 Cb -0.16 -4.45 0.04 0.00 -0.40 0.00 0.00 41.96 36.98 1si8 s TYR 116 CO 0.10 -1.56 0.92 0.95 -1.57 0.00 0.00 175.55 174.39 1si8 s THR 117 N 2.70 2.91 -1.36 -0.71 -4.23 -0.93 -4.39 115.64 109.63 1si8 s THR 117 Ca 0.44 -0.24 0.19 0.00 -1.18 0.00 0.00 61.69 60.90 1si8 s THR 117 Cb -0.01 -3.18 0.31 0.00 1.34 0.00 0.00 72.50 70.95 1si8 s THR 117 CO -0.00 -0.18 1.60 0.47 -0.54 0.00 0.00 174.62 175.97 1si8 n ASP 118 N -2.67 0.00 -0.61 3.99 8.00 -1.26 -2.55 116.55 121.45 1si8 n ASP 118 Ca 0.06 0.09 0.06 0.00 0.71 0.00 0.00 54.79 55.72 1si8 n ASP 118 Cb 0.59 -0.32 0.18 0.00 -0.02 0.00 0.00 41.12 41.55 1si8 n ASP 118 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1si8 n GLU 119 N -1.32 1.39 0.00 -1.24 1.02 -1.26 -4.70 120.64 114.52 1si8 n GLU 119 Ca 0.08 -3.07 0.00 0.00 -0.02 0.00 0.00 57.16 54.16 1si8 n GLU 119 Cb 0.16 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 1si8 n GLU 119 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1si8 n GLY 120 N -1.01 2.87 3.67 0.62 0.00 -1.06 -4.62 105.19 105.66 1si8 n GLY 120 Ca 0.17 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 1si8 n GLY 120 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1si8 s ASN 121 N 0.00 7.12 -0.24 1.61 0.02 -1.26 -2.18 114.94 120.01 1si8 s ASN 121 Ca 0.00 1.39 -0.08 0.00 -1.02 0.00 0.00 52.86 53.15 1si8 s ASN 121 Cb 0.00 -2.53 -0.04 0.00 0.02 0.00 0.00 41.25 38.70 1si8 s ASN 121 CO 0.00 -0.57 0.10 -0.47 0.02 0.00 0.00 177.10 176.17 1si8 s TYR 122 N 2.73 3.17 -0.14 2.20 6.04 0.05 -4.60 117.35 126.81 1si8 s TYR 122 Ca 0.44 -0.14 -0.04 0.00 0.04 0.00 0.00 57.07 57.38 1si8 s TYR 122 Cb -0.16 -2.22 -0.03 0.00 -1.04 0.00 0.00 41.96 38.50 1si8 s TYR 122 CO 0.10 -0.15 0.00 -0.51 -1.54 0.00 0.00 175.55 173.45 1si8 s ASP 123 N 1.27 5.17 -0.32 4.32 1.01 -0.91 0.06 116.67 127.27 1si8 s ASP 123 Ca 0.05 0.02 0.02 0.00 0.71 0.00 0.00 52.55 53.36 1si8 s ASP 123 Cb -0.14 -1.73 0.08 0.00 1.01 0.00 0.00 42.92 42.14 1si8 s ASP 123 CO 0.04 0.24 0.02 -0.22 0.21 0.00 0.00 175.17 175.47 1si8 s LEU 124 N -0.07 4.37 -0.88 1.23 2.96 0.45 -4.64 118.68 122.11 1si8 s LEU 124 Ca 0.04 -1.84 -0.12 0.00 -0.22 0.00 0.00 54.13 51.99 1si8 s LEU 124 Cb -0.13 -1.64 0.23 0.00 0.50 0.00 0.00 46.19 45.15 1si8 s LEU 124 CO 0.02 -0.34 0.82 -0.69 -1.32 0.00 0.00 176.35 174.84 1si8 s VAL 125 N 1.02 5.51 0.09 1.68 1.01 -1.26 -0.55 120.40 127.90 1si8 s VAL 125 Ca 0.03 -2.78 0.01 0.00 0.00 0.00 0.00 61.98 59.25 1si8 s VAL 125 Cb -0.20 -4.39 0.01 0.00 0.00 0.00 0.00 36.38 31.80 1si8 s VAL 125 CO -0.06 -1.05 0.08 0.61 0.00 0.00 0.00 175.10 174.67 1si8 n GLY 126 N 3.59 2.83 3.43 4.51 0.00 -0.56 -4.94 105.19 114.05 1si8 n GLY 126 Ca 0.16 -2.18 -0.22 0.00 0.00 0.00 0.00 46.02 43.78 1si8 n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1si8 s ASN 127 N -1.54 2.19 -0.05 1.61 0.01 -0.94 0.01 114.94 116.23 1si8 s ASN 127 Ca 0.06 -1.49 0.04 0.00 -0.71 0.00 0.00 52.86 50.76 1si8 s ASN 127 Cb -0.00 0.20 0.21 0.00 0.41 0.00 0.00 41.25 42.07 1si8 s ASN 127 CO 0.04 -0.76 0.88 -0.46 -1.51 0.00 0.00 177.10 175.28 1si8 n ASN 128 N -0.86 2.10 -3.99 -1.22 6.94 -0.01 -0.39 115.26 117.83 1si8 n ASN 128 Ca -0.03 -2.21 -0.14 0.00 -0.02 0.00 0.00 54.58 52.18 1si8 n ASN 128 Cb 0.66 -0.49 -0.13 0.00 -2.36 0.00 0.00 39.78 37.45 1si8 n ASN 128 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1si8 s THR 129 N -1.51 0.42 -1.12 5.53 -1.32 -1.26 -4.60 115.64 111.78 1si8 s THR 129 Ca 0.14 -0.55 0.26 0.00 -1.21 0.00 0.00 61.69 60.33 1si8 s THR 129 Cb 0.11 -0.42 0.28 0.00 -1.51 0.00 0.00 72.50 70.96 1si8 s THR 129 CO 0.05 -0.10 1.84 -0.81 -2.21 0.00 0.00 174.62 173.39 1si8 n PRO 130 N 2.36 0.11 -3.69 7.08 -0.04 -1.26 -4.57 135.00 134.99 1si8 n PRO 130 Ca -0.17 0.06 -0.18 0.00 -0.04 0.00 0.00 63.50 63.17 1si8 n PRO 130 Cb 0.57 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 1si8 n PRO 130 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1si8 n ILE 131 N -1.44 0.00 -4.22 0.52 -5.35 -1.26 -4.25 119.36 103.36 1si8 n ILE 131 Ca 0.08 -1.68 -0.14 0.00 -0.27 0.00 0.00 62.75 60.74 1si8 n ILE 131 Cb 0.27 0.63 -0.10 0.00 -1.74 0.00 0.00 39.64 38.70 1si8 n ILE 131 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1si8 s PHE 132 N -2.66 1.29 0.21 4.28 5.36 -0.86 -5.01 117.98 120.59 1si8 s PHE 132 Ca 0.16 -1.42 0.09 0.00 -0.96 0.00 0.00 56.93 54.79 1si8 s PHE 132 Cb 0.01 -0.61 0.13 0.00 -0.34 0.00 0.00 43.02 42.21 1si8 s PHE 132 CO 0.11 -0.67 1.48 0.74 -1.46 0.00 0.00 175.22 175.42 1si8 h PHE 133 N 2.52 0.01 -2.89 10.12 -1.00 -1.89 -3.41 116.94 120.40 1si8 h PHE 133 Ca -0.34 -0.01 -0.45 0.00 2.81 0.00 0.00 57.97 59.98 1si8 h PHE 133 Cb 1.25 -0.00 -0.14 0.00 3.61 0.00 0.00 35.95 40.67 1si8 h PHE 133 CO 0.61 0.78 -0.65 0.96 -1.61 0.00 0.00 178.31 178.39 1si8 s ILE 134 N -3.26 1.35 -0.07 -0.55 -4.36 -1.26 -3.01 121.20 110.03 1si8 s ILE 134 Ca -0.00 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 58.33 1si8 s ILE 134 Cb 0.12 -2.50 -0.00 0.00 1.25 0.00 0.00 42.46 41.32 1si8 s ILE 134 CO 0.79 -0.24 0.28 0.54 0.24 0.00 0.00 174.94 176.55 1si8 n ARG 135 N -0.56 3.01 -4.36 0.37 1.74 -1.26 -4.73 116.66 110.87 1si8 n ARG 135 Ca -0.05 -0.27 -0.25 0.00 -0.77 0.00 0.00 57.85 56.51 1si8 n ARG 135 Cb 0.64 -0.77 -0.17 0.00 -1.02 0.00 0.00 32.46 31.14 1si8 n ARG 135 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1si8 s ASP 136 N -0.58 1.82 0.58 0.55 -1.08 -1.26 -2.35 116.67 114.34 1si8 s ASP 136 Ca 0.01 -0.29 0.28 0.00 -0.52 0.00 0.00 52.55 52.03 1si8 s ASP 136 Cb 0.01 -0.80 1.60 0.00 -1.46 0.00 0.00 42.92 42.27 1si8 s ASP 136 CO 0.02 -0.02 2.08 0.00 0.52 0.00 0.00 175.17 177.77 1si8 h ALA 137 N 7.33 1.90 0.00 3.66 0.00 -1.80 -1.31 119.26 129.04 1si8 h ALA 137 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1si8 h ALA 137 Cb 1.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1si8 h ALA 137 CO 0.46 -0.35 0.00 0.97 0.00 0.00 0.00 179.25 180.33 1si8 h ILE 138 N 0.00 0.00 -0.01 0.00 2.10 -1.95 -1.67 117.51 115.98 1si8 h ILE 138 Ca 0.11 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.96 1si8 h ILE 138 Cb 0.57 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.17 1si8 h ILE 138 CO -0.00 0.00 -0.50 0.29 -1.08 0.00 0.00 178.15 176.86 1si8 n LYS 139 N -2.69 0.72 -0.04 2.19 4.76 -0.49 -4.53 118.16 118.07 1si8 n LYS 139 Ca -0.01 -0.53 -0.08 0.00 -2.87 0.00 0.00 58.31 54.82 1si8 n LYS 139 Cb 0.10 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 31.78 1si8 n LYS 139 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1si8 h PHE 140 N 1.29 -0.21 -0.61 2.13 3.57 -1.43 -0.18 116.94 121.50 1si8 h PHE 140 Ca 0.00 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1si8 h PHE 140 Cb 0.60 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 1si8 h PHE 140 CO 0.00 -0.14 0.40 -1.35 -2.23 0.00 0.00 178.31 174.99 1si8 h PRO 141 N -0.06 0.70 -0.12 6.41 0.11 -1.79 0.48 132.00 137.73 1si8 h PRO 141 Ca 0.11 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 1si8 h PRO 141 Cb 0.23 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 1si8 h PRO 141 CO -0.25 0.47 -0.01 -0.44 -0.21 0.00 0.00 178.00 177.56 1si8 h ASP 142 N 0.73 0.21 0.19 -2.05 3.32 -1.66 0.13 116.42 117.28 1si8 h ASP 142 Ca 0.24 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1si8 h ASP 142 Cb 0.07 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1si8 h ASP 142 CO -0.07 0.48 -0.12 0.15 -1.72 0.00 0.00 179.24 177.96 1si8 h PHE 143 N -0.07 -0.32 -0.91 4.55 -0.00 -0.44 -1.69 116.94 118.06 1si8 h PHE 143 Ca 0.03 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.98 1si8 h PHE 143 Cb 0.38 0.12 -0.04 0.00 -0.00 0.00 0.00 35.95 36.40 1si8 h PHE 143 CO 0.04 -0.19 0.50 0.82 -0.00 0.00 0.00 178.31 179.48 1si8 h ILE 144 N -0.31 1.26 -0.76 1.41 1.08 -0.92 -1.47 117.51 117.81 1si8 h ILE 144 Ca -0.01 -0.63 0.00 0.00 -0.39 0.00 0.00 64.86 63.82 1si8 h ILE 144 Cb 0.26 0.03 -0.04 0.00 -3.07 0.00 0.00 36.82 34.00 1si8 h ILE 144 CO 0.01 0.29 0.47 0.45 -0.69 0.00 0.00 178.15 178.68 1si8 h HIS 145 N 1.27 0.98 0.00 1.37 3.86 -0.77 -0.77 115.15 121.09 1si8 h HIS 145 Ca 0.32 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.47 1si8 h HIS 145 Cb 0.02 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.15 1si8 h HIS 145 CO 0.01 0.65 -0.31 0.66 0.86 0.00 0.00 177.93 179.79 1si8 h SER 146 N 1.03 0.00 1.90 2.45 4.64 -0.69 -2.67 113.55 120.22 1si8 h SER 146 Ca 0.27 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.59 1si8 h SER 146 Cb -0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1si8 h SER 146 CO -0.05 0.31 -0.10 1.56 -0.87 0.00 0.00 176.83 177.68 1si8 h GLN 147 N 0.00 0.00 0.00 4.77 1.08 -0.53 -3.19 115.11 117.24 1si8 h GLN 147 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1si8 h GLN 147 Cb 0.56 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1si8 h GLN 147 CO 0.04 0.02 0.00 1.63 -0.95 0.00 0.00 178.83 179.57 1si8 n LYS 148 N -3.08 3.60 -2.85 1.46 5.02 -0.37 -4.90 118.16 117.05 1si8 n LYS 148 Ca 0.04 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.00 1si8 n LYS 148 Cb 0.54 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.48 1si8 n LYS 148 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1si8 s ARG 149 N 3.26 4.19 0.11 1.97 0.52 -1.26 -4.13 118.95 123.62 1si8 s ARG 149 Ca 0.00 1.06 -0.31 0.00 -0.52 0.00 0.00 55.73 55.96 1si8 s ARG 149 Cb 0.00 -2.21 -0.10 0.00 0.52 0.00 0.00 34.95 33.16 1si8 s ARG 149 CO 0.00 -0.01 1.75 1.21 0.02 0.00 0.00 175.30 178.26 1si8 s ASN 150 N -2.22 6.49 0.64 0.23 2.47 0.60 -4.86 114.94 118.30 1si8 s ASN 150 Ca 0.61 2.67 0.40 0.00 0.42 0.00 0.00 52.86 56.96 1si8 s ASN 150 Cb -0.09 -2.57 2.23 0.00 -1.45 0.00 0.00 41.25 39.37 1si8 s ASN 150 CO 0.14 -0.95 2.33 1.55 -3.72 0.00 0.00 177.10 176.45 1si8 h PRO 151 N 8.26 0.00 0.02 0.43 0.13 -1.94 0.24 132.00 139.14 1si8 h PRO 151 Ca -0.44 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.36 1si8 h PRO 151 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1si8 h PRO 151 CO 0.94 0.00 -1.80 -2.13 -0.23 0.00 0.00 178.00 174.79 1si8 n ARG 152 N -3.29 0.61 0.01 0.86 0.63 -1.26 -4.63 116.66 109.58 1si8 n ARG 152 Ca -0.03 0.41 0.11 0.00 -0.92 0.00 0.00 57.85 57.43 1si8 n ARG 152 Cb 0.08 -1.66 -0.13 0.00 0.45 0.00 0.00 32.46 31.20 1si8 n ARG 152 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1si8 n THR 153 N -4.14 0.08 -1.08 5.15 -2.24 -1.20 -4.98 114.28 105.88 1si8 n THR 153 Ca -0.39 -0.43 -0.03 0.00 -2.27 0.00 0.00 64.05 60.94 1si8 n THR 153 Cb 0.82 0.09 -0.01 0.00 -2.10 0.00 0.00 70.33 69.13 1si8 n THR 153 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1si8 n HIS 154 N -2.20 0.00 -3.87 4.78 -0.00 0.84 -4.96 115.22 109.82 1si8 n HIS 154 Ca -0.02 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.91 1si8 n HIS 154 Cb 0.53 -1.03 -0.03 0.00 -0.12 0.00 0.00 29.99 29.34 1si8 n HIS 154 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1si8 s LEU 155 N -0.62 4.29 0.58 0.27 1.43 -1.26 -4.62 118.68 118.76 1si8 s LEU 155 Ca 0.00 0.21 -0.18 0.00 -1.03 0.00 0.00 54.13 53.13 1si8 s LEU 155 Cb 0.00 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 1si8 s LEU 155 CO 0.00 -0.01 1.15 -0.54 0.23 0.00 0.00 176.35 177.18 1si8 s LYS 156 N -3.48 3.11 -0.34 1.70 -0.14 -1.26 -0.29 119.74 119.05 1si8 s LYS 156 Ca 0.36 1.64 0.01 0.00 -1.36 0.00 0.00 55.97 56.61 1si8 s LYS 156 Cb -0.10 -1.97 0.11 0.00 -1.68 0.00 0.00 37.83 34.18 1si8 s LYS 156 CO 0.29 -1.05 0.11 0.45 -0.76 0.00 0.00 175.35 174.39 1si8 s SER 157 N -1.86 4.15 0.50 2.83 0.15 -1.26 -4.82 113.70 113.39 1si8 s SER 157 Ca 0.73 -1.93 0.22 0.00 0.70 0.00 0.00 55.95 55.67 1si8 s SER 157 Cb -0.25 -1.08 1.30 0.00 -1.71 0.00 0.00 66.02 64.28 1si8 s SER 157 CO 0.32 -0.38 2.07 1.55 1.20 0.00 0.00 173.24 177.99 1si8 h PRO 158 N 7.75 0.00 -0.35 5.44 0.13 -1.91 -1.33 132.00 141.73 1si8 h PRO 158 Ca -0.09 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.08 1si8 h PRO 158 Cb 1.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.09 1si8 h PRO 158 CO 0.49 0.13 0.11 0.93 -0.23 0.00 0.00 178.00 179.42 1si8 h GLU 159 N 0.00 0.24 -0.35 0.86 4.39 -1.92 -0.61 114.58 117.19 1si8 h GLU 159 Ca -0.00 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 1si8 h GLU 159 Cb 0.27 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1si8 h GLU 159 CO 0.02 0.16 -0.15 0.00 -1.16 0.00 0.00 179.01 177.88 1si8 h ALA 160 N 1.23 0.48 -0.07 3.43 0.00 -1.62 0.12 119.26 122.83 1si8 h ALA 160 Ca 0.16 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1si8 h ALA 160 Cb 0.14 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1si8 h ALA 160 CO -0.17 0.39 -0.17 0.28 0.00 0.00 0.00 179.25 179.57 1si8 h VAL 161 N 0.49 0.56 0.00 0.00 2.07 -0.89 -1.90 116.25 116.58 1si8 h VAL 161 Ca 0.08 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.42 1si8 h VAL 161 Cb 0.68 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1si8 h VAL 161 CO 0.05 0.00 -0.84 -0.50 0.02 0.00 0.00 177.57 176.29 1si8 h TRP 162 N -0.25 0.00 -0.17 1.57 4.06 -1.13 -2.43 115.95 117.60 1si8 h TRP 162 Ca 0.08 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.03 1si8 h TRP 162 Cb 0.36 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.51 1si8 h TRP 162 CO -0.26 0.84 0.11 0.22 -3.56 0.00 0.00 178.44 175.79 1si8 h ASP 163 N 0.00 0.18 -0.35 -3.49 3.58 -0.56 0.25 116.42 116.03 1si8 h ASP 163 Ca -0.01 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 1si8 h ASP 163 Cb 1.57 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.56 1si8 h ASP 163 CO 0.11 0.13 0.18 0.15 -2.88 0.00 0.00 179.24 176.93 1si8 h PHE 164 N 0.22 0.49 -0.31 0.28 3.57 -1.34 -2.83 116.94 117.03 1si8 h PHE 164 Ca 0.06 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 1si8 h PHE 164 Cb -0.02 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1si8 h PHE 164 CO -0.07 0.40 -0.23 -1.49 -2.23 0.00 0.00 178.31 174.69 1si8 h TRP 165 N 0.43 0.66 0.00 0.41 6.55 -1.18 -2.43 115.95 120.40 1si8 h TRP 165 Ca 0.12 -0.14 -0.01 0.00 0.95 0.00 0.00 58.89 59.81 1si8 h TRP 165 Cb 0.09 -0.16 -0.00 0.00 -0.86 0.00 0.00 29.16 28.22 1si8 h TRP 165 CO -0.02 0.77 -0.05 0.66 -1.05 0.00 0.00 178.44 178.75 1si8 h SER 166 N 0.52 0.00 -0.24 -3.49 4.64 -0.32 -0.69 113.55 113.97 1si8 h SER 166 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1si8 h SER 166 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1si8 h SER 166 CO 0.05 0.05 0.00 1.41 -0.87 0.00 0.00 176.83 177.47 1si8 n HIS 167 N -3.38 0.29 -3.34 4.77 8.25 -1.03 -4.63 115.22 116.16 1si8 n HIS 167 Ca -0.02 -0.16 -0.26 0.00 -0.26 0.00 0.00 57.72 57.03 1si8 n HIS 167 Cb 0.20 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.22 1si8 n HIS 167 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1si8 n SER 168 N 1.31 1.21 0.33 0.41 7.64 -0.27 -4.97 113.62 119.29 1si8 n SER 168 Ca 0.16 -2.87 0.16 0.00 1.01 0.00 0.00 58.87 57.33 1si8 n SER 168 Cb 0.56 -0.64 0.87 0.00 -1.01 0.00 0.00 64.21 63.99 1si8 n SER 168 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1si8 h PRO 169 N 4.43 0.00 0.00 1.43 0.13 -1.82 -0.99 132.00 135.18 1si8 h PRO 169 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1si8 h PRO 169 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1si8 h PRO 169 CO 0.56 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.48 1si8 n GLU 170 N -2.89 0.11 0.03 0.86 0.00 -1.26 -2.11 120.64 115.38 1si8 n GLU 170 Ca -0.02 0.42 0.13 0.00 0.00 0.00 0.00 57.16 57.69 1si8 n GLU 170 Cb 0.33 -1.74 0.44 0.00 0.00 0.00 0.00 31.44 30.47 1si8 n GLU 170 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1si8 n SER 171 N -1.95 0.36 -0.24 -1.84 3.41 -0.38 -4.30 113.62 108.69 1si8 n SER 171 Ca 0.02 0.31 0.04 0.00 -0.26 0.00 0.00 58.87 58.98 1si8 n SER 171 Cb 0.16 -0.32 0.16 0.00 -0.26 0.00 0.00 64.21 63.95 1si8 n SER 171 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1si8 h LEU 172 N 0.00 -0.01 0.18 1.04 3.38 -1.63 0.15 115.31 118.42 1si8 h LEU 172 Ca 0.00 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1si8 h LEU 172 Cb 0.58 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1si8 h LEU 172 CO 0.00 -0.03 -0.15 -0.74 0.09 0.00 0.00 178.44 177.61 1si8 h HIS 173 N 0.26 -0.38 -0.05 1.13 2.76 -1.79 -1.05 115.15 116.02 1si8 h HIS 173 Ca 0.39 -0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.44 1si8 h HIS 173 Cb 0.64 0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.73 1si8 h HIS 173 CO -0.27 -0.23 -0.49 0.37 -1.30 0.00 0.00 177.93 176.01 1si8 h GLN 174 N -0.34 0.13 -0.71 5.26 5.75 -1.69 -2.57 115.11 120.94 1si8 h GLN 174 Ca -0.01 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.38 1si8 h GLN 174 Cb 0.31 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.83 1si8 h GLN 174 CO -0.02 0.60 0.28 0.28 -2.65 0.00 0.00 178.83 177.33 1si8 h VAL 175 N 0.11 1.24 -0.75 2.39 2.07 -0.46 0.19 116.25 121.03 1si8 h VAL 175 Ca 0.00 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 1si8 h VAL 175 Cb 0.91 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1si8 h VAL 175 CO 0.07 0.31 0.27 0.74 0.02 0.00 0.00 177.57 178.98 1si8 h THR 176 N 1.03 1.26 -0.35 2.57 2.02 -0.83 -0.26 112.91 118.35 1si8 h THR 176 Ca 0.24 -0.86 -0.11 0.00 0.77 0.00 0.00 66.41 66.45 1si8 h THR 176 Cb 0.20 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1si8 h THR 176 CO -0.02 0.34 -0.23 0.40 0.37 0.00 0.00 175.52 176.39 1si8 h ILE 177 N 1.11 1.29 -0.77 3.11 2.04 -1.01 -2.24 117.51 121.03 1si8 h ILE 177 Ca 0.25 -1.37 0.02 0.00 1.00 0.00 0.00 64.86 64.76 1si8 h ILE 177 Cb 0.26 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 1si8 h ILE 177 CO -0.01 0.45 0.50 0.25 0.00 0.00 0.00 178.15 179.33 1si8 h LEU 178 N 0.55 0.84 -0.05 1.44 6.46 -0.24 -2.54 115.31 121.78 1si8 h LEU 178 Ca 0.07 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 1si8 h LEU 178 Cb 0.78 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 1si8 h LEU 178 CO 0.06 0.59 -0.13 0.23 -0.62 0.00 0.00 178.44 178.57 1si8 n MET 179 N -4.59 0.20 -1.15 1.25 2.81 -0.14 -3.80 117.12 111.70 1si8 n MET 179 Ca 0.08 -0.05 -0.21 0.00 -1.81 0.00 0.00 57.70 55.71 1si8 n MET 179 Cb 0.06 -1.50 0.16 0.00 -0.71 0.00 0.00 33.22 31.23 1si8 n MET 179 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1si8 n SER 180 N -1.35 -0.56 -0.10 7.83 3.41 -0.85 -4.06 113.62 117.93 1si8 n SER 180 Ca 0.09 -1.22 -0.00 0.00 -0.26 0.00 0.00 58.87 57.48 1si8 n SER 180 Cb 0.31 -0.72 0.27 0.00 -0.26 0.00 0.00 64.21 63.81 1si8 n SER 180 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1si8 h ASP 181 N -1.58 0.68 0.08 4.04 3.32 -1.86 -2.21 116.42 118.88 1si8 h ASP 181 Ca -0.30 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1si8 h ASP 181 Cb 0.86 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1si8 h ASP 181 CO 0.21 0.60 0.00 0.54 -1.72 0.00 0.00 179.24 178.87 1si8 n ARG 182 N -4.35 0.08 0.28 3.56 1.74 -1.26 -2.38 116.66 114.33 1si8 n ARG 182 Ca 0.04 0.20 0.18 0.00 -0.77 0.00 0.00 57.85 57.51 1si8 n ARG 182 Cb 0.14 -1.50 0.85 0.00 -1.02 0.00 0.00 32.46 30.94 1si8 n ARG 182 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1si8 h GLY 183 N 0.81 0.00 -6.73 -0.13 0.00 -1.49 -3.35 103.07 92.18 1si8 h GLY 183 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1si8 h GLY 183 CO 0.00 0.00 -0.81 -0.42 0.00 0.00 0.00 176.54 175.31 1si8 s ILE 184 N -3.80 0.12 0.74 2.60 1.01 -1.00 -2.44 121.20 118.43 1si8 s ILE 184 Ca -0.01 -1.26 -0.13 0.00 0.00 0.00 0.00 60.65 59.25 1si8 s ILE 184 Cb 0.10 -1.11 0.04 0.00 0.01 0.00 0.00 42.46 41.50 1si8 s ILE 184 CO 0.46 -0.84 1.14 -2.84 0.00 0.00 0.00 174.94 172.86 1si8 s PRO 185 N 1.58 2.26 0.19 2.79 0.02 -1.26 -0.84 135.00 139.75 1si8 s PRO 185 Ca 0.13 1.48 -0.05 0.00 0.02 0.00 0.00 61.00 62.58 1si8 s PRO 185 Cb -0.19 -1.88 0.10 0.00 0.02 0.00 0.00 34.50 32.55 1si8 s PRO 185 CO -0.19 -1.68 1.53 1.25 -0.33 0.00 0.00 177.00 177.58 1si8 h LEU 186 N -0.54 0.76 -7.77 -5.54 5.85 -1.09 -3.39 115.31 103.59 1si8 h LEU 186 Ca -0.46 -0.35 0.13 0.00 0.84 0.00 0.00 57.88 58.04 1si8 h LEU 186 Cb 1.26 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 42.01 1si8 h LEU 186 CO 0.51 1.08 0.37 -0.94 -0.34 0.00 0.00 178.44 179.11 1si8 s SER 187 N -6.86 -0.23 0.55 1.25 1.04 -1.26 -4.89 113.70 103.31 1si8 s SER 187 Ca -0.09 -0.47 0.30 0.00 0.48 0.00 0.00 55.95 56.17 1si8 s SER 187 Cb 0.12 0.59 1.61 0.00 0.10 0.00 0.00 66.02 68.44 1si8 s SER 187 CO 0.85 -1.09 2.13 -0.26 0.98 0.00 0.00 173.24 175.85 1si8 h PHE 188 N 2.00 0.00 0.00 5.02 0.05 -1.91 -1.24 116.94 120.86 1si8 h PHE 188 Ca -0.22 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.57 1si8 h PHE 188 Cb 1.24 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.19 1si8 h PHE 188 CO 0.40 0.08 0.00 0.54 -0.18 0.00 0.00 178.31 179.14 1si8 n ARG 189 N -3.60 0.21 -1.23 1.51 1.74 -1.26 -3.72 116.66 110.31 1si8 n ARG 189 Ca -0.02 0.24 -0.16 0.00 -0.77 0.00 0.00 57.85 57.13 1si8 n ARG 189 Cb 0.20 -1.78 0.13 0.00 -1.02 0.00 0.00 32.46 29.99 1si8 n ARG 189 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1si8 n HIS 190 N -2.16 2.02 -4.16 -1.55 8.25 -0.47 -4.40 115.22 112.76 1si8 n HIS 190 Ca 0.05 -2.04 -0.10 0.00 -0.26 0.00 0.00 57.72 55.37 1si8 n HIS 190 Cb 0.37 -0.66 -0.10 0.00 1.12 0.00 0.00 29.99 30.72 1si8 n HIS 190 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1si8 s MET 191 N -3.45 0.82 0.69 -0.41 0.23 -1.24 -2.58 119.30 113.36 1si8 s MET 191 Ca 0.51 -1.34 -0.02 0.00 -1.03 0.00 0.00 55.69 53.81 1si8 s MET 191 Cb 0.43 -0.08 0.10 0.00 -1.53 0.00 0.00 34.83 33.76 1si8 s MET 191 CO 0.01 -0.07 0.96 -1.01 -2.03 0.00 0.00 175.02 172.89 1si8 s HIS 192 N -3.73 1.98 0.03 3.16 3.76 -1.26 -4.22 115.29 115.01 1si8 s HIS 192 Ca 0.13 -0.13 0.03 0.00 -0.15 0.00 0.00 55.06 54.95 1si8 s HIS 192 Cb 0.06 -3.01 -0.02 0.00 1.11 0.00 0.00 32.58 30.72 1si8 s HIS 192 CO -0.05 -1.55 -0.10 0.20 -0.85 0.00 0.00 174.74 172.39 1si8 s GLY 193 N -4.66 0.58 0.03 -2.22 0.00 0.47 -4.12 107.32 97.41 1si8 s GLY 193 Ca 0.64 -0.65 -0.04 0.00 0.00 0.00 0.00 44.72 44.67 1si8 s GLY 193 CO 0.43 -0.63 0.06 -1.36 0.00 0.00 0.00 173.10 171.61 1si8 s PHE 194 N -0.76 0.24 -0.43 1.90 0.40 0.47 0.40 117.98 120.21 1si8 s PHE 194 Ca -0.01 -0.56 0.23 0.00 -0.60 0.00 0.00 56.93 56.00 1si8 s PHE 194 Cb -0.07 -0.18 0.29 0.00 0.51 0.00 0.00 43.02 43.58 1si8 s PHE 194 CO 0.01 -0.33 1.45 0.78 0.70 0.00 0.00 175.22 177.83 1si8 h GLY 195 N 3.79 0.00 0.00 4.36 0.00 -1.79 -2.49 103.07 106.94 1si8 h GLY 195 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1si8 h GLY 195 CO 0.50 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.48 1si8 n SER 196 N -2.84 0.00 -4.76 0.19 7.64 -1.26 -4.78 113.62 107.81 1si8 n SER 196 Ca 0.03 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.59 1si8 n SER 196 Cb 0.52 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.80 1si8 n SER 196 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1si8 s HIS 197 N 0.00 2.52 -0.04 1.43 3.76 -1.26 -4.80 115.29 116.90 1si8 s HIS 197 Ca 0.00 1.57 -0.24 0.00 -0.15 0.00 0.00 55.06 56.24 1si8 s HIS 197 Cb 0.00 -3.11 -0.04 0.00 1.11 0.00 0.00 32.58 30.54 1si8 s HIS 197 CO 0.00 -1.85 0.74 0.99 -0.85 0.00 0.00 174.74 173.77 1si8 s THR 198 N -2.71 4.97 0.49 1.30 2.01 -1.26 -4.63 115.64 115.82 1si8 s THR 198 Ca 0.63 1.54 0.05 0.00 0.31 0.00 0.00 61.69 64.22 1si8 s THR 198 Cb -0.19 -4.08 -0.00 0.00 0.01 0.00 0.00 72.50 68.24 1si8 s THR 198 CO 0.52 0.26 0.23 -0.36 -0.69 0.00 0.00 174.62 174.58 1si8 s PHE 199 N 0.66 2.02 -0.09 4.92 0.40 0.59 -4.26 117.98 122.23 1si8 s PHE 199 Ca 0.39 -0.78 0.01 0.00 -0.60 0.00 0.00 56.93 55.95 1si8 s PHE 199 Cb -0.19 -1.86 -0.02 0.00 0.51 0.00 0.00 43.02 41.46 1si8 s PHE 199 CO 0.20 -0.08 -0.12 0.15 0.70 0.00 0.00 175.22 176.07 1si8 s LYS 200 N -4.06 2.94 -0.04 0.44 1.02 0.12 -0.03 119.74 120.14 1si8 s LYS 200 Ca 0.30 -0.65 0.06 0.00 0.02 0.00 0.00 55.97 55.70 1si8 s LYS 200 Cb 0.01 -2.55 -0.02 0.00 -0.52 0.00 0.00 37.83 34.75 1si8 s LYS 200 CO 0.17 0.46 -0.23 -1.58 -0.92 0.00 0.00 175.35 173.25 1si8 s TRP 201 N -0.29 2.44 -0.05 3.18 0.52 0.11 -0.24 118.94 124.61 1si8 s TRP 201 Ca 0.03 -0.48 0.01 0.00 0.02 0.00 0.00 56.10 55.67 1si8 s TRP 201 Cb -0.13 -1.56 0.02 0.00 -1.15 0.00 0.00 33.47 30.65 1si8 s TRP 201 CO 0.03 -0.06 -0.05 0.08 0.02 0.00 0.00 176.95 176.97 1si8 s VAL 202 N -0.46 0.56 0.66 4.03 1.01 -0.35 -0.47 120.40 125.37 1si8 s VAL 202 Ca 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 1si8 s VAL 202 Cb -0.11 -0.59 0.14 0.00 0.00 0.00 0.00 36.38 35.81 1si8 s VAL 202 CO 0.01 0.24 0.90 -0.46 0.00 0.00 0.00 175.10 175.78 1si8 n ASN 203 N 4.15 0.89 0.23 3.32 0.23 -0.77 -1.39 115.26 121.92 1si8 n ASN 203 Ca -0.23 -1.83 0.07 0.00 -0.53 0.00 0.00 54.58 52.07 1si8 n ASN 203 Cb 0.51 -0.61 0.60 0.00 -2.08 0.00 0.00 39.78 38.20 1si8 n ASN 203 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1si8 h ALA 204 N -0.87 1.93 -0.00 -2.53 0.00 -1.88 -1.01 119.26 114.90 1si8 h ALA 204 Ca -0.30 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1si8 h ALA 204 Cb 1.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1si8 h ALA 204 CO 0.29 0.06 -0.03 0.00 0.00 0.00 0.00 179.25 179.57 1si8 n ALA 205 N -2.53 2.51 -0.49 0.00 0.00 -1.26 -4.89 120.51 113.86 1si8 n ALA 205 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1si8 n ALA 205 Cb 0.11 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1si8 n ALA 205 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1si8 n GLY 206 N 1.34 0.76 3.75 0.00 0.00 -0.38 -5.05 105.19 105.61 1si8 n GLY 206 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1si8 n GLY 206 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1si8 s GLU 207 N -0.51 4.64 -0.08 1.61 2.02 -1.26 -4.80 118.70 120.31 1si8 s GLU 207 Ca 0.00 1.77 -0.02 0.00 0.02 0.00 0.00 54.97 56.75 1si8 s GLU 207 Cb 0.00 -3.21 -0.03 0.00 0.10 0.00 0.00 34.13 30.98 1si8 s GLU 207 CO 0.00 0.19 0.01 0.08 0.02 0.00 0.00 175.26 175.56 1si8 s VAL 208 N -0.91 4.38 -0.00 2.63 1.01 -1.26 -1.85 120.40 124.38 1si8 s VAL 208 Ca 0.46 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1si8 s VAL 208 Cb -0.31 -2.85 -0.00 0.00 0.00 0.00 0.00 36.38 33.21 1si8 s VAL 208 CO 0.39 0.59 -0.02 -0.36 0.00 0.00 0.00 175.10 175.70 1si8 s PHE 209 N -0.91 0.16 -0.17 5.22 0.40 0.38 -2.22 117.98 120.83 1si8 s PHE 209 Ca 0.14 -0.03 -0.11 0.00 -0.60 0.00 0.00 56.93 56.33 1si8 s PHE 209 Cb -0.11 -0.11 -0.05 0.00 0.51 0.00 0.00 43.02 43.26 1si8 s PHE 209 CO 0.03 -0.01 0.20 -0.06 0.70 0.00 0.00 175.22 176.08 1si8 s PHE 210 N -0.02 3.46 0.20 0.36 0.40 0.14 0.07 117.98 122.59 1si8 s PHE 210 Ca 0.00 0.47 0.05 0.00 -0.60 0.00 0.00 56.93 56.86 1si8 s PHE 210 Cb -0.01 -2.20 -0.05 0.00 0.51 0.00 0.00 43.02 41.27 1si8 s PHE 210 CO -0.00 0.34 -0.08 0.14 0.70 0.00 0.00 175.22 176.31 1si8 s VAL 211 N 0.19 1.37 -0.06 -0.44 -7.23 0.96 -0.26 120.40 114.92 1si8 s VAL 211 Ca 0.12 -2.11 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 1si8 s VAL 211 Cb -0.12 -2.11 0.02 0.00 0.56 0.00 0.00 36.38 34.73 1si8 s VAL 211 CO 0.01 -0.54 -0.10 -0.54 -0.31 0.00 0.00 175.10 173.62 1si8 s LYS 212 N -3.74 1.49 0.01 4.82 1.02 -0.91 -0.30 119.74 122.13 1si8 s LYS 212 Ca 0.23 -0.34 -0.18 0.00 0.02 0.00 0.00 55.97 55.71 1si8 s LYS 212 Cb 0.03 -1.28 -0.06 0.00 -0.52 0.00 0.00 37.83 36.00 1si8 s LYS 212 CO 0.06 -0.00 0.50 0.71 -0.92 0.00 0.00 175.35 175.69 1si8 s TYR 213 N 0.74 3.72 -0.19 3.18 1.51 -1.26 -1.83 117.35 123.21 1si8 s TYR 213 Ca -0.13 1.10 -0.02 0.00 -1.01 0.00 0.00 57.07 57.00 1si8 s TYR 213 Cb -0.15 -2.44 0.06 0.00 -0.11 0.00 0.00 41.96 39.31 1si8 s TYR 213 CO 0.03 0.51 0.03 -1.01 -1.11 0.00 0.00 175.55 174.00 1si8 s HIS 214 N -0.71 1.11 -0.48 2.71 3.76 -0.44 -2.60 115.29 118.65 1si8 s HIS 214 Ca 0.27 -0.89 -0.14 0.00 -0.15 0.00 0.00 55.06 54.14 1si8 s HIS 214 Cb -0.18 -1.06 0.09 0.00 1.11 0.00 0.00 32.58 32.54 1si8 s HIS 214 CO 0.15 -0.61 0.39 -0.06 -0.85 0.00 0.00 174.74 173.77 1si8 s PHE 215 N 1.83 3.27 -0.23 1.40 0.40 0.16 -1.50 117.98 123.31 1si8 s PHE 215 Ca -0.01 -1.12 -0.16 0.00 -0.60 0.00 0.00 56.93 55.03 1si8 s PHE 215 Cb -0.17 -3.27 -0.03 0.00 0.51 0.00 0.00 43.02 40.05 1si8 s PHE 215 CO -0.08 -0.86 0.44 0.15 0.70 0.00 0.00 175.22 175.58 1si8 s LYS 216 N 1.59 4.11 0.17 0.44 1.02 -0.33 -0.40 119.74 126.34 1si8 s LYS 216 Ca 0.04 0.22 -0.32 0.00 0.02 0.00 0.00 55.97 55.93 1si8 s LYS 216 Cb -0.25 -3.60 -0.11 0.00 -0.52 0.00 0.00 37.83 33.35 1si8 s LYS 216 CO 0.05 -0.20 1.73 -0.08 -0.92 0.00 0.00 175.35 175.93 1si8 s THR 217 N 1.81 2.30 -1.58 2.17 -1.32 -1.26 -0.71 115.64 117.04 1si8 s THR 217 Ca 0.19 0.10 0.30 0.00 -1.21 0.00 0.00 61.69 61.07 1si8 s THR 217 Cb -0.15 -3.07 0.54 0.00 -1.51 0.00 0.00 72.50 68.31 1si8 s THR 217 CO 0.09 0.01 1.99 0.59 -2.21 0.00 0.00 174.62 175.09 1si8 n ASN 218 N 4.54 0.20 0.01 8.08 3.02 -0.38 -2.90 115.26 127.82 1si8 n ASN 218 Ca 0.16 -0.41 0.11 0.00 -0.03 0.00 0.00 54.58 54.41 1si8 n ASN 218 Cb 0.37 -0.17 0.07 0.00 -0.61 0.00 0.00 39.78 39.44 1si8 n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1si8 n GLN 219 N -1.12 0.08 0.00 3.52 3.00 -1.26 -4.99 117.38 116.62 1si8 n GLN 219 Ca 0.15 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.14 1si8 n GLN 219 Cb 0.24 -1.53 0.00 0.00 0.00 0.00 0.00 30.24 28.96 1si8 n GLN 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1si8 n GLY 220 N 1.46 -0.36 3.69 1.08 0.00 -1.14 -4.94 105.19 104.98 1si8 n GLY 220 Ca 0.04 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1si8 n GLY 220 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1si8 s ILE 221 N -3.03 4.57 -0.04 -0.61 -1.09 -1.26 -4.42 121.20 115.33 1si8 s ILE 221 Ca 0.00 1.86 -0.04 0.00 -2.23 0.00 0.00 60.65 60.24 1si8 s ILE 221 Cb 0.00 -4.19 0.01 0.00 -1.58 0.00 0.00 42.46 36.70 1si8 s ILE 221 CO 0.00 0.04 0.10 -0.54 -1.23 0.00 0.00 174.94 173.31 1si8 s LYS 222 N 1.82 0.13 0.35 2.79 1.02 -1.07 -5.05 119.74 119.73 1si8 s LYS 222 Ca 0.52 0.12 0.03 0.00 0.02 0.00 0.00 55.97 56.67 1si8 s LYS 222 Cb -0.22 0.06 -0.05 0.00 -0.52 0.00 0.00 37.83 37.11 1si8 s LYS 222 CO 0.22 -0.02 0.08 -0.80 -0.92 0.00 0.00 175.35 173.91 1si8 s ASN 223 N 0.01 2.43 -0.11 2.83 0.01 -1.26 -0.60 114.94 118.25 1si8 s ASN 223 Ca -0.00 -1.48 -0.00 0.00 -0.71 0.00 0.00 52.86 50.66 1si8 s ASN 223 Cb -0.01 0.14 -0.02 0.00 0.41 0.00 0.00 41.25 41.77 1si8 s ASN 223 CO 0.00 -0.73 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.01 1si8 s LEU 224 N -3.52 2.96 0.57 0.60 1.43 -0.02 -4.53 118.68 116.18 1si8 s LEU 224 Ca 0.32 -0.18 -0.19 0.00 -1.03 0.00 0.00 54.13 53.04 1si8 s LEU 224 Cb 0.07 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 1si8 s LEU 224 CO 0.15 0.24 1.19 -0.70 0.23 0.00 0.00 176.35 177.45 1si8 s GLU 225 N -0.08 3.13 0.21 1.70 2.56 -1.26 -4.75 118.70 120.21 1si8 s GLU 225 Ca -0.00 1.77 -0.11 0.00 0.00 0.00 0.00 54.97 56.63 1si8 s GLU 225 Cb -0.14 -1.98 0.29 0.00 2.00 0.00 0.00 34.13 34.30 1si8 s GLU 225 CO 0.03 -1.07 1.66 0.77 -0.56 0.00 0.00 175.26 176.10 1si8 h SER 226 N 1.05 -0.27 0.02 -1.70 0.02 -1.97 -1.75 113.55 108.96 1si8 h SER 226 Ca -0.50 0.15 0.02 0.00 -0.84 0.00 0.00 61.79 60.62 1si8 h SER 226 Cb 1.29 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 64.07 1si8 h SER 226 CO 0.56 -0.11 -0.13 -0.61 -1.14 0.00 0.00 176.83 175.40 1si8 h GLN 227 N 0.12 -0.22 -0.67 3.45 4.15 -2.00 -1.81 115.11 118.13 1si8 h GLN 227 Ca 0.32 0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.77 1si8 h GLN 227 Cb 0.52 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.22 1si8 h GLN 227 CO -0.53 -0.15 0.43 1.25 -1.93 0.00 0.00 178.83 177.91 1si8 h LEU 228 N -0.23 0.73 -0.80 -2.39 6.46 -1.85 -1.78 115.31 115.44 1si8 h LEU 228 Ca 0.04 -0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.86 1si8 h LEU 228 Cb 0.28 -0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 39.97 1si8 h LEU 228 CO -0.11 0.52 0.47 0.00 -0.62 0.00 0.00 178.44 178.70 1si8 h ALA 229 N 1.26 1.11 -0.62 1.25 0.00 -0.98 0.24 119.26 121.53 1si8 h ALA 229 Ca 0.26 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 1si8 h ALA 229 Cb -0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1si8 h ALA 229 CO -0.08 0.16 0.04 1.49 0.00 0.00 0.00 179.25 180.87 1si8 h GLU 230 N 0.84 1.05 -0.18 0.00 4.81 -0.85 0.00 114.58 120.25 1si8 h GLU 230 Ca 0.36 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1si8 h GLU 230 Cb 0.24 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1si8 h GLU 230 CO -0.20 1.00 0.08 1.49 -0.73 0.00 0.00 179.01 180.65 1si8 h GLU 231 N 0.97 0.27 -0.01 1.92 4.81 -0.33 -2.51 114.58 119.71 1si8 h GLU 231 Ca 0.18 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1si8 h GLU 231 Cb 0.50 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1si8 h GLU 231 CO 0.02 0.33 -0.26 0.82 -0.73 0.00 0.00 179.01 179.19 1si8 h ILE 232 N 0.15 1.19 0.00 2.32 2.04 -0.39 -0.67 117.51 122.15 1si8 h ILE 232 Ca 0.06 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 1si8 h ILE 232 Cb 0.16 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1si8 h ILE 232 CO -0.01 0.26 -0.02 0.00 0.00 0.00 0.00 178.15 178.38 1si8 h ALA 233 N 1.73 1.63 0.01 1.87 0.00 -0.54 0.36 119.26 124.32 1si8 h ALA 233 Ca -0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.55 1si8 h ALA 233 Cb 0.47 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1si8 h ALA 233 CO 0.03 0.02 -1.90 0.41 0.00 0.00 0.00 179.25 177.82 1si8 n GLY 234 N -1.31 -0.64 0.27 0.00 0.00 -0.73 -3.97 105.19 98.81 1si8 n GLY 234 Ca -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 1si8 n GLY 234 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1si8 h LYS 235 N -0.87 0.59 -1.58 1.61 1.57 -1.00 -3.40 116.57 113.49 1si8 h LYS 235 Ca -0.51 -0.16 -0.28 0.00 -1.87 0.00 0.00 60.65 57.83 1si8 h LYS 235 Cb 1.51 -0.07 -0.26 0.00 0.08 0.00 0.00 32.23 33.50 1si8 h LYS 235 CO -0.27 0.67 -0.62 1.21 -0.57 0.00 0.00 179.45 179.86 1si8 s ASN 236 N -6.73 0.02 0.13 0.86 3.84 0.13 -5.01 114.94 108.18 1si8 s ASN 236 Ca -0.08 -1.58 0.11 0.00 0.21 0.00 0.00 52.86 51.52 1si8 s ASN 236 Cb 0.15 1.05 0.55 0.00 -0.55 0.00 0.00 41.25 42.45 1si8 s ASN 236 CO 0.79 -0.19 1.34 -0.81 -2.79 0.00 0.00 177.10 175.44 1si8 n PRO 237 N 3.89 0.06 -0.74 0.43 -0.04 -1.25 -1.88 135.00 135.48 1si8 n PRO 237 Ca 0.15 0.51 -0.02 0.00 -0.04 0.00 0.00 63.50 64.10 1si8 n PRO 237 Cb 0.50 -1.69 0.20 0.00 -0.04 0.00 0.00 33.50 32.48 1si8 n PRO 237 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1si8 n ASP 238 N -1.82 2.53 -0.23 3.54 8.00 -1.26 -0.74 116.55 126.57 1si8 n ASP 238 Ca 0.00 -3.71 0.03 0.00 0.71 0.00 0.00 54.79 51.83 1si8 n ASP 238 Cb 0.05 -0.62 0.14 0.00 -0.02 0.00 0.00 41.12 40.67 1si8 n ASP 238 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1si8 h PHE 239 N 1.04 0.11 -0.12 1.24 3.04 -1.72 0.15 116.94 120.68 1si8 h PHE 239 Ca 0.18 0.04 -0.20 0.00 3.98 0.00 0.00 57.97 61.97 1si8 h PHE 239 Cb 1.57 0.06 0.00 0.00 2.56 0.00 0.00 35.95 40.14 1si8 h PHE 239 CO 0.94 -0.13 -0.74 0.45 -2.02 0.00 0.00 178.31 176.81 1si8 h HIS 240 N 0.19 0.81 -0.24 0.41 3.86 -1.87 -1.70 115.15 116.61 1si8 h HIS 240 Ca 0.37 -0.36 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1si8 h HIS 240 Cb 0.61 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 1si8 h HIS 240 CO -0.32 1.15 0.04 0.82 0.86 0.00 0.00 177.93 180.48 1si8 h ILE 241 N 0.42 1.23 -0.56 2.45 2.04 -1.80 -2.22 117.51 119.06 1si8 h ILE 241 Ca -0.04 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 1si8 h ILE 241 Cb 1.34 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.66 1si8 h ILE 241 CO 0.14 0.24 0.33 -0.08 0.00 0.00 0.00 178.15 178.78 1si8 h GLU 242 N 0.20 0.77 -0.55 2.37 4.81 -1.00 -2.23 114.58 118.94 1si8 h GLU 242 Ca 0.07 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1si8 h GLU 242 Cb 0.32 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1si8 h GLU 242 CO 0.00 0.56 0.30 0.22 -0.73 0.00 0.00 179.01 179.36 1si8 h ASP 243 N 0.76 0.44 -0.44 1.04 1.82 -1.15 0.79 116.42 119.68 1si8 h ASP 243 Ca 0.20 0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 56.82 1si8 h ASP 243 Cb -0.00 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 39.93 1si8 h ASP 243 CO -0.04 0.30 0.12 0.25 -1.61 0.00 0.00 179.24 178.27 1si8 h LEU 244 N 0.57 0.65 -0.07 2.28 6.46 -1.19 -1.55 115.31 122.46 1si8 h LEU 244 Ca 0.24 -0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1si8 h LEU 244 Cb 0.12 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 39.87 1si8 h LEU 244 CO -0.15 0.70 0.02 -0.74 -0.62 0.00 0.00 178.44 177.65 1si8 h HIS 245 N 0.57 0.12 -0.74 1.25 2.76 -1.00 -2.59 115.15 115.51 1si8 h HIS 245 Ca 0.14 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1si8 h HIS 245 Cb 0.29 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.18 1si8 h HIS 245 CO 0.02 0.29 0.46 -0.91 -1.30 0.00 0.00 177.93 176.49 1si8 h ASN 246 N -0.08 0.88 -0.48 3.26 2.35 -0.80 -0.37 115.58 120.34 1si8 h ASN 246 Ca 0.02 -0.05 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1si8 h ASN 246 Cb 0.23 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 1si8 h ASN 246 CO -0.00 0.67 0.26 0.00 -1.65 0.00 0.00 177.43 176.72 1si8 h ALA 247 N 1.25 0.61 -0.20 -0.83 0.00 -1.23 0.13 119.26 118.97 1si8 h ALA 247 Ca 0.27 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.02 1si8 h ALA 247 Cb -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1si8 h ALA 247 CO -0.05 -0.06 -0.52 0.82 0.00 0.00 0.00 179.25 179.43 1si8 h ILE 248 N 0.53 1.31 -0.02 0.00 2.04 -1.16 0.29 117.51 120.51 1si8 h ILE 248 Ca 0.20 -1.75 -0.09 0.00 1.00 0.00 0.00 64.86 64.21 1si8 h ILE 248 Cb 0.06 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1si8 h ILE 248 CO -0.11 0.55 -0.42 -0.08 0.00 0.00 0.00 178.15 178.08 1si8 h GLU 249 N 0.45 0.04 -0.14 2.37 4.57 -0.65 -1.92 114.58 119.30 1si8 h GLU 249 Ca 0.02 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1si8 h GLU 249 Cb 1.06 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 1si8 h GLU 249 CO 0.10 0.45 0.00 0.09 -1.18 0.00 0.00 179.01 178.47 1si8 n ASN 250 N -4.03 1.20 -1.73 1.04 3.02 0.40 -4.91 115.26 110.24 1si8 n ASN 250 Ca -0.02 -1.69 -0.16 0.00 -0.03 0.00 0.00 54.58 52.68 1si8 n ASN 250 Cb 0.46 -0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.52 1si8 n ASN 250 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1si8 n GLN 251 N 0.03 -1.25 -2.87 3.52 6.02 -0.72 -4.91 117.38 117.19 1si8 n GLN 251 Ca 0.14 0.82 -0.40 0.00 -0.01 0.00 0.00 57.00 57.55 1si8 n GLN 251 Cb 0.24 -5.18 0.01 0.00 1.02 0.00 0.00 30.24 26.33 1si8 n GLN 251 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1si8 n GLU 252 N -2.54 4.72 -1.62 -1.09 1.02 0.98 -5.01 120.64 117.11 1si8 n GLU 252 Ca -0.19 -4.63 -0.46 0.00 -0.02 0.00 0.00 57.16 51.87 1si8 n GLU 252 Cb 0.63 -2.46 -0.04 0.00 -0.02 0.00 0.00 31.44 29.54 1si8 n GLU 252 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1si8 n PHE 253 N 0.62 2.15 -2.55 -0.32 0.99 -1.26 -4.46 117.46 112.63 1si8 n PHE 253 Ca 0.35 -0.08 -0.36 0.00 -0.00 0.00 0.00 57.45 57.37 1si8 n PHE 253 Cb 0.31 -2.69 -0.04 0.00 -1.00 0.00 0.00 39.48 36.05 1si8 n PHE 253 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 1si8 s PRO 254 N 5.17 4.09 0.09 -1.08 0.04 -1.24 -4.84 135.00 137.24 1si8 s PRO 254 Ca 0.97 1.47 -0.00 0.00 0.04 0.00 0.00 61.00 63.48 1si8 s PRO 254 Cb -0.56 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 1si8 s PRO 254 CO 0.44 -0.20 -0.02 -1.54 0.04 0.00 0.00 177.00 175.73 1si8 s SER 255 N -1.66 0.63 0.01 6.66 1.04 -1.26 -1.60 113.70 117.51 1si8 s SER 255 Ca 0.60 -1.06 0.01 0.00 0.48 0.00 0.00 55.95 55.98 1si8 s SER 255 Cb -0.21 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 1si8 s SER 255 CO 0.26 -0.60 -0.05 0.26 0.98 0.00 0.00 173.24 174.09 1si8 s TRP 256 N -3.87 0.45 -0.28 5.02 0.51 0.43 -1.25 118.94 119.94 1si8 s TRP 256 Ca 0.13 -0.19 -0.11 0.00 -2.12 0.00 0.00 56.10 53.81 1si8 s TRP 256 Cb 0.07 -0.28 -0.05 0.00 -0.81 0.00 0.00 33.47 32.40 1si8 s TRP 256 CO -0.05 -0.03 0.20 0.99 -0.51 0.00 0.00 176.95 177.55 1si8 s THR 257 N -0.43 5.30 -0.13 2.01 2.01 0.11 -0.41 115.64 124.10 1si8 s THR 257 Ca -0.02 0.16 -0.17 0.00 0.31 0.00 0.00 61.69 61.97 1si8 s THR 257 Cb -0.04 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 1si8 s THR 257 CO -0.00 0.23 0.44 -0.22 -0.69 0.00 0.00 174.62 174.38 1si8 s LEU 258 N 1.77 4.27 0.04 4.42 2.96 0.56 -1.19 118.68 131.51 1si8 s LEU 258 Ca 0.07 0.75 -0.00 0.00 -0.22 0.00 0.00 54.13 54.73 1si8 s LEU 258 Cb -0.16 -2.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 1si8 s LEU 258 CO 0.11 0.02 -0.04 -0.94 -1.32 0.00 0.00 176.35 174.18 1si8 s SER 259 N 0.58 0.46 0.24 3.68 1.04 -0.56 0.34 113.70 119.49 1si8 s SER 259 Ca 0.24 -0.75 0.09 0.00 0.48 0.00 0.00 55.95 56.02 1si8 s SER 259 Cb -0.15 0.13 -0.05 0.00 0.10 0.00 0.00 66.02 66.06 1si8 s SER 259 CO 0.09 -0.43 -0.15 0.68 0.98 0.00 0.00 173.24 174.41 1si8 s VAL 260 N -2.62 2.00 -0.17 5.02 -7.23 0.97 -1.32 120.40 117.05 1si8 s VAL 260 Ca -0.04 -2.27 -0.07 0.00 -1.81 0.00 0.00 61.98 57.79 1si8 s VAL 260 Cb -0.02 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 1si8 s VAL 260 CO -0.05 -0.49 0.04 -1.10 -0.31 0.00 0.00 175.10 173.19 1si8 s GLN 261 N -3.60 3.89 -0.20 4.82 -0.21 -0.76 -0.51 119.66 123.08 1si8 s GLN 261 Ca 0.26 -0.38 -0.00 0.00 0.02 0.00 0.00 55.36 55.26 1si8 s GLN 261 Cb -0.02 -3.14 0.02 0.00 1.00 0.00 0.00 33.01 30.86 1si8 s GLN 261 CO 0.10 0.29 -0.14 0.42 -2.12 0.00 0.00 175.29 173.84 1si8 s ILE 262 N 0.31 2.51 -0.26 1.08 1.01 -1.26 -2.14 121.20 122.44 1si8 s ILE 262 Ca 0.02 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.80 1si8 s ILE 262 Cb -0.13 -2.13 0.04 0.00 0.01 0.00 0.00 42.46 40.26 1si8 s ILE 262 CO 0.01 0.44 -0.07 -0.63 0.00 0.00 0.00 174.94 174.68 1si8 s ILE 263 N 1.33 2.59 0.67 2.92 1.09 0.64 -4.97 121.20 125.48 1si8 s ILE 263 Ca 0.04 -1.34 -0.17 0.00 -1.10 0.00 0.00 60.65 58.08 1si8 s ILE 263 Cb -0.14 -2.43 0.01 0.00 -1.06 0.00 0.00 42.46 38.84 1si8 s ILE 263 CO -0.09 0.05 1.22 -2.84 -0.10 0.00 0.00 174.94 173.18 1si8 s PRO 264 N 1.22 2.49 0.21 2.79 0.02 -1.26 0.27 135.00 140.74 1si8 s PRO 264 Ca -0.04 1.82 -0.17 0.00 0.02 0.00 0.00 61.00 62.63 1si8 s PRO 264 Cb -0.18 -1.87 0.21 0.00 0.02 0.00 0.00 34.50 32.67 1si8 s PRO 264 CO -0.04 -1.58 1.59 -0.92 -0.33 0.00 0.00 177.00 175.72 1si8 h TYR 265 N 0.23 -0.69 -0.82 6.54 3.20 -1.82 0.21 116.97 123.82 1si8 h TYR 265 Ca -0.49 0.07 0.13 0.00 3.14 0.00 0.00 58.73 61.58 1si8 h TYR 265 Cb 1.30 0.41 -0.09 0.00 1.54 0.00 0.00 36.73 39.89 1si8 h TYR 265 CO 0.46 -0.35 0.42 0.00 -1.64 0.00 0.00 178.16 177.05 1si8 h ALA 266 N 1.34 1.20 -0.02 1.82 0.00 -1.91 -1.48 119.26 120.21 1si8 h ALA 266 Ca 0.29 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1si8 h ALA 266 Cb 0.55 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1si8 h ALA 266 CO -0.73 -0.06 -0.02 -0.44 0.00 0.00 0.00 179.25 178.01 1si8 h ASP 267 N 0.64 0.05 -0.67 0.00 5.19 -1.26 -3.24 116.42 117.12 1si8 h ASP 267 Ca 0.43 -0.45 0.18 0.00 -0.62 0.00 0.00 57.03 56.57 1si8 h ASP 267 Cb 0.56 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.02 1si8 h ASP 267 CO -0.33 0.49 0.48 0.00 -3.12 0.00 0.00 179.24 176.76 1si8 h ALA 268 N 0.56 2.52 -0.88 3.45 0.00 0.08 -2.47 119.26 122.53 1si8 h ALA 268 Ca 0.00 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.09 1si8 h ALA 268 Cb 0.48 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1si8 h ALA 268 CO 0.00 -0.72 0.58 -0.07 0.00 0.00 0.00 179.25 179.05 1si8 h LEU 269 N 0.08 0.43 0.00 0.00 3.38 -1.32 -1.02 115.31 116.86 1si8 h LEU 269 Ca 0.32 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1si8 h LEU 269 Cb 1.18 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1si8 h LEU 269 CO -0.03 0.18 -0.67 0.35 0.09 0.00 0.00 178.44 178.37 1si8 n THR 270 N -4.51 0.24 -1.55 0.22 -2.24 -0.93 -4.38 114.28 101.13 1si8 n THR 270 Ca 0.18 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.64 1si8 n THR 270 Cb 0.65 0.01 0.15 0.00 -2.10 0.00 0.00 70.33 69.05 1si8 n THR 270 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1si8 n MET 271 N -1.94 2.24 -0.13 -0.78 2.81 -0.39 -4.80 117.12 114.12 1si8 n MET 271 Ca 0.04 -3.38 -0.08 0.00 -1.81 0.00 0.00 57.70 52.46 1si8 n MET 271 Cb 0.42 -1.95 0.01 0.00 -0.71 0.00 0.00 33.22 30.98 1si8 n MET 271 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1si8 h LYS 272 N 1.31 0.50 -0.00 0.03 1.57 -1.75 0.25 116.57 118.49 1si8 h LYS 272 Ca 0.29 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1si8 h LYS 272 Cb 1.57 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.76 1si8 h LYS 272 CO 0.59 0.33 0.00 0.93 -0.57 0.00 0.00 179.45 180.73 1si8 h GLU 273 N 0.52 0.00 0.00 3.15 5.08 -1.93 -1.78 114.58 119.62 1si8 h GLU 273 Ca 0.15 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 58.07 1si8 h GLU 273 Cb -0.03 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.15 1si8 h GLU 273 CO -0.05 0.00 -2.51 2.41 -1.00 0.00 0.00 179.01 177.87 1si8 n THR 274 N -3.28 1.49 -0.28 1.13 -1.04 -0.99 -4.20 114.28 107.11 1si8 n THR 274 Ca -0.03 -0.43 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 1si8 n THR 274 Cb 0.08 -1.75 0.13 0.00 -1.82 0.00 0.00 70.33 66.96 1si8 n THR 274 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1si8 h LEU 275 N -0.73 0.70 -1.81 -4.42 5.85 -0.85 -2.67 115.31 111.37 1si8 h LEU 275 Ca -0.66 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.08 1si8 h LEU 275 Cb 1.67 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.59 1si8 h LEU 275 CO -0.34 0.44 0.00 0.49 -0.34 0.00 0.00 178.44 178.69 1si8 n PHE 276 N -4.70 0.61 -3.53 1.25 3.72 -0.68 -4.32 117.46 109.81 1si8 n PHE 276 Ca 0.11 -0.31 -0.42 0.00 -0.05 0.00 0.00 57.45 56.79 1si8 n PHE 276 Cb 0.19 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.63 1si8 n PHE 276 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1si8 s ASP 277 N -1.10 5.86 0.00 4.37 -1.08 -1.01 -4.27 116.67 119.44 1si8 s ASP 277 Ca 0.34 -1.22 0.16 0.00 -0.52 0.00 0.00 52.55 51.31 1si8 s ASP 277 Cb 0.18 -2.07 0.96 0.00 -1.46 0.00 0.00 42.92 40.52 1si8 s ASP 277 CO 0.24 -0.51 1.39 0.55 0.52 0.00 0.00 175.17 177.37 1si8 n VAL 278 N 5.05 0.06 0.13 1.11 3.14 -1.26 -1.78 118.33 124.78 1si8 n VAL 278 Ca -0.11 0.02 0.09 0.00 -2.96 0.00 0.00 64.34 61.37 1si8 n VAL 278 Cb 0.45 -0.76 0.26 0.00 -1.06 0.00 0.00 33.84 32.72 1si8 n VAL 278 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1si8 n THR 279 N -1.03 0.88 -4.18 1.55 -2.24 -1.26 -2.03 114.28 105.96 1si8 n THR 279 Ca 0.12 -0.79 -0.16 0.00 -2.27 0.00 0.00 64.05 60.94 1si8 n THR 279 Cb 0.06 0.32 -0.11 0.00 -2.10 0.00 0.00 70.33 68.50 1si8 n THR 279 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1si8 s LYS 280 N -1.33 0.86 0.34 -0.78 1.02 -0.73 -4.88 119.74 114.23 1si8 s LYS 280 Ca 0.38 -1.09 0.08 0.00 0.02 0.00 0.00 55.97 55.37 1si8 s LYS 280 Cb 0.21 -0.69 -0.04 0.00 -0.52 0.00 0.00 37.83 36.78 1si8 s LYS 280 CO 0.25 0.13 0.12 0.95 -0.92 0.00 0.00 175.35 175.88 1si8 s THR 281 N -1.94 2.92 -0.20 2.17 -4.23 -1.26 -4.89 115.64 108.22 1si8 s THR 281 Ca 0.03 -1.74 -0.07 0.00 -1.18 0.00 0.00 61.69 58.72 1si8 s THR 281 Cb -0.06 -2.95 -0.04 0.00 1.34 0.00 0.00 72.50 70.80 1si8 s THR 281 CO 0.01 -0.18 0.06 -0.69 -0.54 0.00 0.00 174.62 173.29 1si8 s VAL 282 N -2.45 4.64 0.01 2.29 1.01 -1.26 -5.02 120.40 119.62 1si8 s VAL 282 Ca 0.37 -0.08 -0.37 0.00 0.00 0.00 0.00 61.98 61.90 1si8 s VAL 282 Cb -0.02 -3.11 -0.17 0.00 0.00 0.00 0.00 36.38 33.09 1si8 s VAL 282 CO 0.22 0.43 1.42 -0.24 0.00 0.00 0.00 175.10 176.93 1si8 n SER 283 N 3.91 1.78 0.05 3.32 2.88 -1.26 -4.84 113.62 119.46 1si8 n SER 283 Ca -0.16 1.11 0.13 0.00 -1.33 0.00 0.00 58.87 58.61 1si8 n SER 283 Cb 0.52 -1.18 0.49 0.00 -0.75 0.00 0.00 64.21 63.29 1si8 n SER 283 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1si8 n GLN 284 N 3.09 0.12 0.02 -1.46 6.02 -1.26 -1.18 117.38 122.73 1si8 n GLN 284 Ca 0.20 0.16 -0.18 0.00 -0.01 0.00 0.00 57.00 57.17 1si8 n GLN 284 Cb 0.18 -1.66 -0.13 0.00 1.02 0.00 0.00 30.24 29.65 1si8 n GLN 284 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1si8 h LYS 285 N 0.00 0.32 -0.26 -1.09 1.57 -1.98 -2.09 116.57 113.05 1si8 h LYS 285 Ca 0.00 -0.44 -0.10 0.00 -1.87 0.00 0.00 60.65 58.25 1si8 h LYS 285 Cb 0.54 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 1si8 h LYS 285 CO 0.00 1.15 -0.21 0.93 -0.57 0.00 0.00 179.45 180.75 1si8 h GLU 286 N -0.30 0.60 -2.92 3.15 5.08 -1.91 -3.39 114.58 114.90 1si8 h GLU 286 Ca -0.10 -0.30 -0.61 0.00 -1.00 0.00 0.00 59.36 57.35 1si8 h GLU 286 Cb 1.43 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.29 1si8 h GLU 286 CO 0.12 0.89 -0.75 0.71 -1.00 0.00 0.00 179.01 178.98 1si8 s TYR 287 N -4.42 1.99 0.79 4.33 2.02 -0.32 -5.09 117.35 116.65 1si8 s TYR 287 Ca -0.13 -2.47 -0.12 0.00 -0.37 0.00 0.00 57.07 53.98 1si8 s TYR 287 Cb 0.08 -1.83 0.07 0.00 -0.40 0.00 0.00 41.96 39.89 1si8 s TYR 287 CO 0.80 -0.77 1.13 -1.25 -1.57 0.00 0.00 175.55 173.89 1si8 s PRO 288 N 0.18 1.94 0.32 -1.71 0.04 -0.79 -4.26 135.00 130.71 1si8 s PRO 288 Ca 0.20 1.40 -0.29 0.00 0.04 0.00 0.00 61.00 62.35 1si8 s PRO 288 Cb -0.19 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 1si8 s PRO 288 CO -0.03 -1.92 1.24 -0.51 0.04 0.00 0.00 177.00 175.82 1si8 s LEU 289 N -5.88 4.45 -0.18 -3.56 1.43 -1.26 -4.57 118.68 109.10 1si8 s LEU 289 Ca 0.65 2.55 0.01 0.00 -1.03 0.00 0.00 54.13 56.31 1si8 s LEU 289 Cb -0.21 -3.67 0.03 0.00 0.03 0.00 0.00 46.19 42.37 1si8 s LEU 289 CO 0.53 -0.43 -0.16 -0.63 0.23 0.00 0.00 176.35 175.89 1si8 s ILE 290 N -1.16 1.90 0.29 -0.59 1.01 0.33 -4.89 121.20 118.08 1si8 s ILE 290 Ca 0.48 -0.95 -0.29 0.00 0.00 0.00 0.00 60.65 59.88 1si8 s ILE 290 Cb -0.37 -1.80 -0.10 0.00 0.01 0.00 0.00 42.46 40.20 1si8 s ILE 290 CO 0.49 0.40 1.40 -0.70 0.00 0.00 0.00 174.94 176.53 1si8 s GLU 291 N 1.33 4.28 -0.08 2.79 2.12 -1.26 -0.02 118.70 127.85 1si8 s GLU 291 Ca 0.03 2.31 -0.05 0.00 0.36 0.00 0.00 54.97 57.61 1si8 s GLU 291 Cb -0.14 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.13 1si8 s GLU 291 CO -0.11 -0.36 -0.13 0.28 -0.54 0.00 0.00 175.26 174.40 1si8 n VAL 292 N 1.61 0.70 -3.46 3.70 0.31 0.15 -4.48 118.33 116.87 1si8 n VAL 292 Ca 0.04 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1si8 n VAL 292 Cb 0.41 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 1si8 n VAL 292 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1si8 n GLY 293 N 2.45 0.77 3.12 2.92 0.00 -1.02 -0.26 105.19 113.16 1si8 n GLY 293 Ca -0.17 -0.74 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 1si8 n GLY 293 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1si8 s THR 294 N -2.13 1.35 -0.18 2.61 2.01 0.18 -0.32 115.64 119.16 1si8 s THR 294 Ca 0.00 -0.67 -0.07 0.00 0.31 0.00 0.00 61.69 61.25 1si8 s THR 294 Cb 0.00 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 1si8 s THR 294 CO 0.00 0.39 0.06 -0.32 -0.69 0.00 0.00 174.62 174.06 1si8 s MET 295 N 0.07 3.94 -0.05 4.92 -2.45 0.45 -0.81 119.30 125.37 1si8 s MET 295 Ca -0.04 -0.34 0.02 0.00 -1.25 0.00 0.00 55.69 54.08 1si8 s MET 295 Cb -0.11 -3.20 0.01 0.00 1.25 0.00 0.00 34.83 32.78 1si8 s MET 295 CO 0.02 0.29 -0.09 0.99 1.05 0.00 0.00 175.02 177.28 1si8 s THR 296 N 0.31 0.87 -0.29 10.11 2.01 -0.12 -0.43 115.64 128.09 1si8 s THR 296 Ca 0.03 -0.36 -0.11 0.00 0.31 0.00 0.00 61.69 61.57 1si8 s THR 296 Cb -0.12 -0.81 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 1si8 s THR 296 CO 0.00 0.29 0.19 -0.76 -0.69 0.00 0.00 174.62 173.64 1si8 s LEU 297 N 0.55 4.09 -0.01 4.42 1.02 -0.63 -0.81 118.68 127.30 1si8 s LEU 297 Ca -0.10 -0.18 0.02 0.00 0.02 0.00 0.00 54.13 53.89 1si8 s LEU 297 Cb -0.13 -2.09 0.03 0.00 0.02 0.00 0.00 46.19 44.02 1si8 s LEU 297 CO 0.02 -0.11 0.78 -0.46 0.02 0.00 0.00 176.35 176.60 1si8 n ASN 298 N 5.05 0.73 -3.67 2.29 0.23 -0.54 -3.68 115.26 115.67 1si8 n ASN 298 Ca -0.14 -1.64 -0.08 0.00 -0.53 0.00 0.00 54.58 52.19 1si8 n ASN 298 Cb 0.51 -0.08 -0.09 0.00 -2.08 0.00 0.00 39.78 38.04 1si8 n ASN 298 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1si8 s ARG 299 N -0.54 0.46 0.63 -3.83 3.52 -0.99 -5.01 118.95 113.20 1si8 s ARG 299 Ca 0.03 1.03 -0.12 0.00 -0.13 0.00 0.00 55.73 56.54 1si8 s ARG 299 Cb 0.03 0.23 -0.02 0.00 -1.56 0.00 0.00 34.95 33.62 1si8 s ARG 299 CO 0.00 -0.19 1.04 -0.80 -0.81 0.00 0.00 175.30 174.55 1si8 s ASN 300 N 2.00 5.82 0.75 -2.12 0.02 -1.26 0.04 114.94 120.19 1si8 s ASN 300 Ca -0.07 1.60 -0.14 0.00 -1.02 0.00 0.00 52.86 53.23 1si8 s ASN 300 Cb -0.09 -2.50 0.05 0.00 0.02 0.00 0.00 41.25 38.73 1si8 s ASN 300 CO -0.15 -1.14 1.19 -2.84 0.02 0.00 0.00 177.10 174.18 1si8 s PRO 301 N -4.77 2.07 0.04 -0.60 0.02 -1.26 -4.79 135.00 125.70 1si8 s PRO 301 Ca 0.58 1.69 -0.16 0.00 0.02 0.00 0.00 61.00 63.14 1si8 s PRO 301 Cb -0.13 -1.83 -0.32 0.00 0.02 0.00 0.00 34.50 32.23 1si8 s PRO 301 CO 0.48 -1.87 1.04 0.93 -0.33 0.00 0.00 177.00 177.26 1si8 h GLU 302 N -0.46 0.57 -2.91 5.54 5.08 -2.00 -3.45 114.58 116.95 1si8 h GLU 302 Ca -0.47 -0.86 -0.20 0.00 -1.00 0.00 0.00 59.36 56.83 1si8 h GLU 302 Cb 1.29 0.30 -0.31 0.00 0.50 0.00 0.00 28.75 30.53 1si8 h GLU 302 CO 0.49 1.40 -0.50 1.21 -1.00 0.00 0.00 179.01 180.62 1si8 s ASN 303 N -7.47 0.05 0.11 1.42 3.84 -1.26 -5.08 114.94 106.55 1si8 s ASN 303 Ca -0.10 0.59 -0.22 0.00 0.21 0.00 0.00 52.86 53.34 1si8 s ASN 303 Cb 0.04 0.59 -0.07 0.00 -0.55 0.00 0.00 41.25 41.27 1si8 s ASN 303 CO 0.93 -0.21 1.71 0.22 -2.79 0.00 0.00 177.10 176.97 1si8 h TYR 304 N 7.79 -0.11 -0.01 0.43 3.20 -1.98 -2.22 116.97 124.06 1si8 h TYR 304 Ca -0.26 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.62 1si8 h TYR 304 Cb 1.13 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.47 1si8 h TYR 304 CO 0.36 -0.08 0.01 0.35 -1.64 0.00 0.00 178.16 177.15 1si8 h PHE 305 N -0.04 0.01 -0.65 -3.82 3.57 -1.98 0.33 116.94 114.36 1si8 h PHE 305 Ca 0.06 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1si8 h PHE 305 Cb 0.13 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1si8 h PHE 305 CO -0.17 0.03 0.36 0.00 -2.23 0.00 0.00 178.31 176.29 1si8 h ALA 306 N 0.98 1.40 0.00 2.41 0.00 -1.96 -2.30 119.26 119.78 1si8 h ALA 306 Ca 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1si8 h ALA 306 Cb 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1si8 h ALA 306 CO -0.00 0.50 -1.28 0.39 0.00 0.00 0.00 179.25 178.86 1si8 n GLU 307 N -4.38 0.50 -0.05 0.00 1.02 -0.84 -4.26 120.64 112.63 1si8 n GLU 307 Ca 0.06 0.20 -0.15 0.00 -0.02 0.00 0.00 57.16 57.25 1si8 n GLU 307 Cb 0.10 -1.36 -0.06 0.00 -0.02 0.00 0.00 31.44 30.09 1si8 n GLU 307 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1si8 h VAL 308 N -0.91 1.32 -0.02 2.62 2.07 -0.55 -2.38 116.25 118.40 1si8 h VAL 308 Ca -0.16 -1.72 -0.25 0.00 0.82 0.00 0.00 66.70 65.40 1si8 h VAL 308 Cb 1.07 1.90 0.01 0.00 -1.52 0.00 0.00 31.29 32.76 1si8 h VAL 308 CO -0.09 0.54 -0.98 -0.08 0.02 0.00 0.00 177.57 176.97 1si8 h GLU 309 N 0.35 0.62 0.00 1.57 4.57 -1.26 -3.33 114.58 117.09 1si8 h GLU 309 Ca -0.01 -0.64 0.00 0.00 -1.18 0.00 0.00 59.36 57.54 1si8 h GLU 309 Cb 1.10 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1si8 h GLU 309 CO 0.10 1.24 -0.42 1.04 -1.18 0.00 0.00 179.01 179.80 1si8 n GLN 310 N -3.83 0.02 -1.85 1.92 6.02 -0.88 -4.93 117.38 113.86 1si8 n GLN 310 Ca -0.09 0.01 -0.40 0.00 -0.01 0.00 0.00 57.00 56.51 1si8 n GLN 310 Cb 0.85 -1.51 0.01 0.00 1.02 0.00 0.00 30.24 30.61 1si8 n GLN 310 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1si8 s VAL 311 N -3.01 2.18 -0.16 5.09 0.11 -0.90 -4.91 120.40 118.80 1si8 s VAL 311 Ca 0.11 0.16 0.01 0.00 -2.93 0.00 0.00 61.98 59.32 1si8 s VAL 311 Cb 0.17 -3.09 0.02 0.00 -1.53 0.00 0.00 36.38 31.96 1si8 s VAL 311 CO 0.67 0.02 -0.15 0.42 -3.33 0.00 0.00 175.10 172.73 1si8 s THR 312 N -1.22 1.70 0.15 5.04 -4.23 -1.26 -5.05 115.64 110.76 1si8 s THR 312 Ca 0.61 -0.74 0.07 0.00 -1.18 0.00 0.00 61.69 60.44 1si8 s THR 312 Cb -0.42 -1.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.78 1si8 s THR 312 CO 0.55 0.45 -0.02 -0.36 -0.54 0.00 0.00 174.62 174.70 1si8 s PHE 313 N 1.43 2.86 -0.23 3.99 0.40 -1.26 -5.01 117.98 120.16 1si8 s PHE 313 Ca 0.04 -0.12 -0.11 0.00 -0.60 0.00 0.00 56.93 56.14 1si8 s PHE 313 Cb -0.13 -1.42 0.08 0.00 0.51 0.00 0.00 43.02 42.06 1si8 s PHE 313 CO -0.11 0.50 0.54 0.45 0.70 0.00 0.00 175.22 177.30 1si8 s SER 314 N -2.71 -0.71 0.60 1.36 0.15 -1.26 -4.79 113.70 106.35 1si8 s SER 314 Ca 0.26 1.21 0.40 0.00 0.70 0.00 0.00 55.95 58.52 1si8 s SER 314 Cb -0.10 1.24 2.15 0.00 -1.71 0.00 0.00 66.02 67.59 1si8 s SER 314 CO 0.18 -0.22 2.23 -0.65 1.20 0.00 0.00 173.24 175.98 1si8 h PRO 315 N 7.31 0.00 -0.04 5.44 0.11 -1.85 0.26 132.00 143.23 1si8 h PRO 315 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1si8 h PRO 315 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1si8 h PRO 315 CO 0.20 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.40 1si8 n GLY 316 N -0.98 -0.38 3.27 -0.55 0.00 -1.26 -4.49 105.19 100.79 1si8 n GLY 316 Ca -0.02 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 1si8 n GLY 316 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1si8 n ASN 317 N -0.28 5.07 -4.94 1.61 5.03 0.08 -4.98 115.26 116.86 1si8 n ASN 317 Ca 0.19 -3.00 -0.24 0.00 0.87 0.00 0.00 54.58 52.39 1si8 n ASN 317 Cb 0.23 -1.57 0.04 0.00 -1.02 0.00 0.00 39.78 37.45 1si8 n ASN 317 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1si8 s PHE 318 N 1.68 3.07 0.13 3.10 0.40 -1.26 -2.13 117.98 122.96 1si8 s PHE 318 Ca 0.44 0.35 0.05 0.00 -0.60 0.00 0.00 56.93 57.17 1si8 s PHE 318 Cb 0.03 -2.77 -0.04 0.00 0.51 0.00 0.00 43.02 40.75 1si8 s PHE 318 CO 0.01 -0.88 -0.13 0.14 0.70 0.00 0.00 175.22 175.06 1si8 s VAL 319 N -2.91 1.28 0.10 -0.44 -7.23 -1.26 -4.83 120.40 105.11 1si8 s VAL 319 Ca 0.55 -1.85 -0.36 0.00 -1.81 0.00 0.00 61.98 58.51 1si8 s VAL 319 Cb -0.10 -1.64 -0.16 0.00 0.56 0.00 0.00 36.38 35.03 1si8 s VAL 319 CO 0.42 -0.54 1.35 -2.65 -0.31 0.00 0.00 175.10 173.37 1si8 n PRO 320 N 0.25 1.28 0.00 4.82 -0.02 -1.26 -1.82 135.00 138.25 1si8 n PRO 320 Ca -0.13 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1si8 n PRO 320 Cb 0.58 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1si8 n PRO 320 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1si8 n GLY 321 N 2.58 2.75 3.07 -1.23 0.00 -1.26 -3.16 105.19 107.93 1si8 n GLY 321 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1si8 n GLY 321 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1si8 s ILE 322 N -2.54 1.47 0.25 -0.61 1.01 -0.75 -1.22 121.20 118.82 1si8 s ILE 322 Ca 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1si8 s ILE 322 Cb 0.00 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 1si8 s ILE 322 CO 0.00 0.43 0.14 -1.61 0.00 0.00 0.00 174.94 173.91 1si8 s GLU 323 N 0.84 1.41 0.57 2.79 2.02 0.66 -4.22 118.70 122.77 1si8 s GLU 323 Ca -0.10 -1.77 -0.14 0.00 0.02 0.00 0.00 54.97 52.98 1si8 s GLU 323 Cb -0.15 0.04 -0.06 0.00 0.10 0.00 0.00 34.13 34.06 1si8 s GLU 323 CO 0.01 -0.40 1.01 0.00 0.02 0.00 0.00 175.26 175.90 1si8 s ALA 324 N -3.85 3.03 0.41 5.21 0.00 -1.26 -0.70 121.76 124.60 1si8 s ALA 324 Ca 0.38 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.50 1si8 s ALA 324 Cb 0.06 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.02 1si8 s ALA 324 CO 0.15 -0.51 0.23 -1.54 0.00 0.00 0.00 175.76 174.10 1si8 s SER 325 N -3.50 4.59 0.00 0.00 1.04 -1.26 -4.55 113.70 110.01 1si8 s SER 325 Ca 0.58 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1si8 s SER 325 Cb -0.11 -0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.51 1si8 s SER 325 CO 0.42 -0.57 0.61 -2.65 0.98 0.00 0.00 173.24 172.02 1si8 n PRO 326 N -1.32 0.72 -1.64 4.02 -0.02 -1.26 -4.69 135.00 130.81 1si8 n PRO 326 Ca 0.00 0.00 -0.46 0.00 -2.02 0.00 0.00 63.50 61.02 1si8 n PRO 326 Cb 0.64 -1.11 -0.04 0.00 -0.02 0.00 0.00 33.50 32.97 1si8 n PRO 326 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1si8 n ASP 327 N -0.31 3.53 -0.20 2.55 -0.08 -1.26 -4.85 116.55 115.93 1si8 n ASP 327 Ca 0.00 0.76 0.02 0.00 -1.51 0.00 0.00 54.79 54.07 1si8 n ASP 327 Cb 0.05 -1.44 0.28 0.00 2.34 0.00 0.00 41.12 42.36 1si8 n ASP 327 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1si8 h LYS 328 N 11.00 0.90 -0.26 -0.67 1.57 -1.75 0.09 116.57 127.44 1si8 h LYS 328 Ca -0.46 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.22 1si8 h LYS 328 Cb 1.26 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1si8 h LYS 328 CO 0.95 0.59 -0.02 1.25 -0.57 0.00 0.00 179.45 181.66 1si8 h LEU 329 N 0.92 0.47 -0.32 2.94 5.85 -1.80 -2.58 115.31 120.80 1si8 h LEU 329 Ca 0.28 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1si8 h LEU 329 Cb -0.00 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1si8 h LEU 329 CO -0.07 0.68 0.19 0.25 -0.34 0.00 0.00 178.44 179.15 1si8 h LEU 330 N 0.24 0.32 -0.64 2.25 6.46 -1.77 -2.33 115.31 119.84 1si8 h LEU 330 Ca 0.07 -0.00 0.13 0.00 -0.12 0.00 0.00 57.88 57.96 1si8 h LEU 330 Cb 0.45 -0.07 -0.10 0.00 -0.73 0.00 0.00 40.66 40.22 1si8 h LEU 330 CO 0.02 0.23 0.10 1.56 -0.62 0.00 0.00 178.44 179.73 1si8 h GLN 331 N 0.40 0.21 -0.59 1.25 1.08 -0.86 0.24 115.11 116.84 1si8 h GLN 331 Ca 0.12 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.25 1si8 h GLN 331 Cb -0.01 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 1si8 h GLN 331 CO -0.05 0.14 0.11 0.78 -0.95 0.00 0.00 178.83 178.86 1si8 h GLY 332 N 0.22 1.01 2.00 3.46 0.00 -1.12 -2.45 103.07 106.19 1si8 h GLY 332 Ca 0.35 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1si8 h GLY 332 CO -0.47 0.58 -0.12 3.21 0.00 0.00 0.00 176.54 179.75 1si8 h ARG 333 N 0.89 0.00 -0.10 4.80 3.08 -0.46 -1.87 114.38 120.73 1si8 h ARG 333 Ca 0.19 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.26 1si8 h ARG 333 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1si8 h ARG 333 CO 0.01 0.12 0.07 -0.07 -1.07 0.00 0.00 179.97 179.02 1si8 h LEU 334 N 0.00 0.02 0.00 3.04 3.38 -0.77 -3.02 115.31 117.97 1si8 h LEU 334 Ca -0.00 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1si8 h LEU 334 Cb 0.23 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1si8 h LEU 334 CO 0.02 0.02 -0.87 0.15 0.09 0.00 0.00 178.44 177.84 1si8 h PHE 335 N 0.03 0.00 -0.85 1.13 3.57 -1.47 -3.43 116.94 115.92 1si8 h PHE 335 Ca 0.04 0.00 0.21 0.00 3.53 0.00 0.00 57.97 61.76 1si8 h PHE 335 Cb 0.15 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 38.74 1si8 h PHE 335 CO -0.00 0.93 0.04 0.00 -2.23 0.00 0.00 178.31 177.05 1si8 h ALA 336 N -0.63 0.97 0.12 2.41 0.00 -1.26 -2.87 119.26 117.99 1si8 h ALA 336 Ca -0.20 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1si8 h ALA 336 Cb 0.97 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1si8 h ALA 336 CO -0.12 -0.47 -0.06 1.88 0.00 0.00 0.00 179.25 180.49 1si8 h TYR 337 N 0.09 -0.14 -0.95 0.00 -1.99 -1.80 0.68 116.97 112.87 1si8 h TYR 337 Ca 0.49 -0.00 0.09 0.00 2.00 0.00 0.00 58.73 61.31 1si8 h TYR 337 Cb 0.93 0.05 -0.07 0.00 2.00 0.00 0.00 36.73 39.63 1si8 h TYR 337 CO -0.43 0.23 0.61 0.78 -0.00 0.00 0.00 178.16 179.35 1si8 h GLY 338 N -0.55 1.44 0.97 3.88 0.00 -1.80 0.45 103.07 107.45 1si8 h GLY 338 Ca -0.02 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.83 1si8 h GLY 338 CO 0.03 0.23 0.01 -1.80 0.00 0.00 0.00 176.54 175.01 1si8 h ASP 339 N 1.00 0.76 -0.80 0.19 3.58 -1.39 -2.64 116.42 117.11 1si8 h ASP 339 Ca 0.44 -0.30 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 1si8 h ASP 339 Cb 0.36 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 1si8 h ASP 339 CO -0.20 0.87 0.42 0.00 -2.88 0.00 0.00 179.24 177.45 1si8 h ALA 340 N 0.91 1.03 -0.63 -0.78 0.00 0.36 -2.92 119.26 117.23 1si8 h ALA 340 Ca 0.13 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1si8 h ALA 340 Cb 0.48 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1si8 h ALA 340 CO 0.02 0.57 0.40 0.45 0.00 0.00 0.00 179.25 180.69 1si8 h HIS 341 N 1.12 0.76 -0.29 0.00 3.86 -0.76 -0.24 115.15 119.61 1si8 h HIS 341 Ca 0.28 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.48 1si8 h HIS 341 Cb 0.07 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 1si8 h HIS 341 CO 0.01 0.45 0.07 0.00 0.86 0.00 0.00 177.93 179.32 1si8 h ARG 342 N 0.80 0.42 0.04 2.45 3.08 -1.29 0.14 114.38 120.02 1si8 h ARG 342 Ca 0.25 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.15 1si8 h ARG 342 Cb -0.02 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1si8 h ARG 342 CO -0.08 0.39 -0.43 1.25 -1.07 0.00 0.00 179.97 180.03 1si8 h HIS 343 N 0.41 0.15 -0.32 3.04 2.76 -1.35 -3.01 115.15 116.83 1si8 h HIS 343 Ca 0.10 -0.11 -0.13 0.00 -2.20 0.00 0.00 60.37 58.03 1si8 h HIS 343 Cb 0.16 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 1si8 h HIS 343 CO 0.00 1.17 -0.31 -0.09 -1.30 0.00 0.00 177.93 177.41 1si8 h ARG 344 N -0.81 0.77 0.00 5.26 2.43 -0.95 -3.41 114.38 117.67 1si8 h ARG 344 Ca -0.09 -0.40 -0.17 0.00 -0.81 0.00 0.00 59.98 58.50 1si8 h ARG 344 Cb 1.23 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 1si8 h ARG 344 CO 0.01 1.03 -1.46 0.28 -1.51 0.00 0.00 179.97 178.32 1si8 n VAL 345 N -4.21 0.87 0.00 0.20 0.31 0.38 -4.56 118.33 111.32 1si8 n VAL 345 Ca -0.03 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1si8 n VAL 345 Cb 0.49 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 1si8 n VAL 345 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1si8 n GLY 346 N 2.24 3.29 0.30 2.92 0.00 -0.58 -4.84 105.19 108.52 1si8 n GLY 346 Ca -0.22 -1.52 0.10 0.00 0.00 0.00 0.00 46.02 44.38 1si8 n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1si8 h ALA 347 N 0.00 2.05 -0.71 4.61 0.00 -1.85 -2.69 119.26 120.67 1si8 h ALA 347 Ca 0.00 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 54.52 1si8 h ALA 347 Cb 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 17.79 17.54 1si8 h ALA 347 CO 0.00 -0.09 0.30 0.09 0.00 0.00 0.00 179.25 179.55 1si8 n ASN 348 N -4.49 3.43 0.29 0.00 3.02 -1.26 -4.65 115.26 111.60 1si8 n ASN 348 Ca 0.01 -3.71 0.14 0.00 -0.03 0.00 0.00 54.58 50.99 1si8 n ASN 348 Cb 0.21 -0.75 0.87 0.00 -0.61 0.00 0.00 39.78 39.49 1si8 n ASN 348 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1si8 h SER 349 N 1.09 0.00 0.51 6.41 4.64 -1.80 -1.34 113.55 123.06 1si8 h SER 349 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1si8 h SER 349 Cb 2.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.28 1si8 h SER 349 CO 0.81 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.79 1si8 n HIS 350 N -3.92 0.64 0.96 4.77 1.44 -1.26 -2.10 115.22 115.75 1si8 n HIS 350 Ca -0.03 0.27 0.12 0.00 -2.01 0.00 0.00 57.72 56.08 1si8 n HIS 350 Cb 0.10 -0.94 0.31 0.00 0.12 0.00 0.00 29.99 29.58 1si8 n HIS 350 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1si8 n GLN 351 N -2.10 0.03 -2.36 -1.40 6.02 -0.50 -3.28 117.38 113.78 1si8 n GLN 351 Ca 0.01 0.01 -0.41 0.00 -0.01 0.00 0.00 57.00 56.61 1si8 n GLN 351 Cb 0.17 -1.52 -0.04 0.00 1.02 0.00 0.00 30.24 29.87 1si8 n GLN 351 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1si8 s LEU 352 N -3.13 4.50 0.25 1.08 1.43 -0.89 -4.79 118.68 117.13 1si8 s LEU 352 Ca 0.11 2.39 -0.13 0.00 -1.03 0.00 0.00 54.13 55.47 1si8 s LEU 352 Cb 0.17 -3.63 0.34 0.00 0.03 0.00 0.00 46.19 43.11 1si8 s LEU 352 CO 0.67 -0.29 1.56 -0.65 0.23 0.00 0.00 176.35 177.87 1si8 h PRO 353 N 3.91 -0.01 0.00 1.29 0.11 -1.89 0.22 132.00 135.63 1si8 h PRO 353 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1si8 h PRO 353 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1si8 h PRO 353 CO 0.68 -0.00 -0.05 0.97 -0.21 0.00 0.00 178.00 179.38 1si8 h ILE 354 N -0.01 0.52 -0.00 4.15 6.09 -1.92 -2.68 117.51 123.66 1si8 h ILE 354 Ca 0.41 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.67 1si8 h ILE 354 Cb 0.66 1.15 0.00 0.00 0.47 0.00 0.00 36.82 39.09 1si8 h ILE 354 CO -0.98 0.05 -0.85 0.59 -3.07 0.00 0.00 178.15 173.88 1si8 n ASN 355 N -3.72 1.25 -4.76 2.19 3.02 0.64 -4.91 115.26 108.98 1si8 n ASN 355 Ca -0.02 -1.13 -0.39 0.00 -0.03 0.00 0.00 54.58 53.01 1si8 n ASN 355 Cb 0.15 0.87 0.03 0.00 -0.61 0.00 0.00 39.78 40.21 1si8 n ASN 355 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1si8 s GLN 356 N -2.83 3.42 0.38 3.52 -0.21 -0.49 -4.83 119.66 118.62 1si8 s GLN 356 Ca 0.11 2.30 -0.17 0.00 0.02 0.00 0.00 55.36 57.61 1si8 s GLN 356 Cb 0.16 -2.45 -0.09 0.00 1.00 0.00 0.00 33.01 31.63 1si8 s GLN 356 CO 0.78 -0.99 0.83 0.00 -2.12 0.00 0.00 175.29 173.79 1si8 s ALA 357 N -1.27 3.21 -0.03 6.09 0.00 -1.26 -4.96 121.76 123.54 1si8 s ALA 357 Ca 0.66 0.16 -0.21 0.00 0.00 0.00 0.00 51.96 52.57 1si8 s ALA 357 Cb -0.41 -2.92 -0.26 0.00 0.00 0.00 0.00 23.12 19.52 1si8 s ALA 357 CO 0.51 0.21 1.01 -0.22 0.00 0.00 0.00 175.76 177.27 1si8 h LYS 358 N 1.99 0.33 -7.08 0.00 3.64 -1.87 -3.45 116.57 110.14 1si8 h LYS 358 Ca -0.48 -0.42 -0.52 0.00 -1.27 0.00 0.00 60.65 57.96 1si8 h LYS 358 Cb 1.18 0.14 0.09 0.00 -0.41 0.00 0.00 32.23 33.23 1si8 h LYS 358 CO 0.63 1.13 0.47 0.00 -2.27 0.00 0.00 179.45 179.41 1si8 s ALA 359 N -2.89 2.68 0.47 5.00 0.00 -1.25 -4.95 121.76 120.82 1si8 s ALA 359 Ca -0.14 0.95 -0.24 0.00 0.00 0.00 0.00 51.96 52.53 1si8 s ALA 359 Cb 0.02 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 1si8 s ALA 359 CO 0.81 -0.96 1.39 -0.35 0.00 0.00 0.00 175.76 176.66 1si8 n PRO 360 N -1.28 2.05 -3.85 0.00 -0.04 -1.26 -4.91 135.00 125.70 1si8 n PRO 360 Ca 0.12 0.74 -0.36 0.00 -0.04 0.00 0.00 63.50 63.95 1si8 n PRO 360 Cb 0.50 -2.58 -0.13 0.00 -0.04 0.00 0.00 33.50 31.24 1si8 n PRO 360 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1si8 s VAL 361 N -1.22 3.46 -0.25 0.52 1.01 -1.26 -5.00 120.40 117.66 1si8 s VAL 361 Ca 0.64 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.77 1si8 s VAL 361 Cb -0.45 -2.78 0.07 0.00 0.00 0.00 0.00 36.38 33.23 1si8 s VAL 361 CO 0.55 0.13 0.02 0.20 0.00 0.00 0.00 175.10 176.01 1si8 s ASN 362 N 1.42 3.73 0.37 3.32 0.01 -1.26 -5.11 114.94 117.42 1si8 s ASN 362 Ca 0.01 -1.29 0.04 0.00 -0.71 0.00 0.00 52.86 50.91 1si8 s ASN 362 Cb -0.17 -0.98 -0.02 0.00 0.41 0.00 0.00 41.25 40.50 1si8 s ASN 362 CO -0.01 -0.31 0.15 0.59 -1.51 0.00 0.00 177.10 176.00 1si8 n ASN 363 N 4.78 1.02 0.00 -1.22 5.03 -1.26 -4.91 115.26 118.71 1si8 n ASN 363 Ca -0.07 -2.99 0.00 0.00 0.87 0.00 0.00 54.58 52.39 1si8 n ASN 363 Cb 0.44 1.00 0.00 0.00 -1.02 0.00 0.00 39.78 40.20 1si8 n ASN 363 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1si8 n TYR 364 N -0.82 0.00 -2.41 3.10 4.01 -1.26 -4.98 117.16 114.80 1si8 n TYR 364 Ca -0.04 -0.34 -0.41 0.00 -0.16 0.00 0.00 57.90 56.95 1si8 n TYR 364 Cb 0.56 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 39.52 1si8 n TYR 364 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1si8 s GLN 365 N -0.69 4.55 0.11 -0.72 -0.21 -1.26 -4.83 119.66 116.60 1si8 s GLN 365 Ca 0.00 1.85 -0.03 0.00 0.02 0.00 0.00 55.36 57.20 1si8 s GLN 365 Cb 0.00 -3.22 -0.03 0.00 1.00 0.00 0.00 33.01 30.76 1si8 s GLN 365 CO 0.00 0.02 0.07 0.15 -2.12 0.00 0.00 175.29 173.42 1si8 s LYS 366 N -0.72 0.86 3.15 2.91 -0.14 -1.26 -5.07 119.74 119.46 1si8 s LYS 366 Ca 0.49 -1.29 0.00 0.00 -1.36 0.00 0.00 55.97 53.81 1si8 s LYS 366 Cb -0.32 0.26 0.00 0.00 -1.68 0.00 0.00 37.83 36.09 1si8 s LYS 366 CO 0.39 -0.24 0.00 -0.25 -0.76 0.00 0.00 175.35 174.49 1si8 n ASP 367 N -0.05 0.00 0.00 2.83 8.00 -1.26 -5.04 116.55 121.03 1si8 n ASP 367 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1si8 n ASP 367 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1si8 n ASP 367 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1si8 n GLY 368 N 0.00 0.51 3.75 0.44 0.00 -1.26 -4.73 105.19 103.91 1si8 n GLY 368 Ca 0.00 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 1si8 n GLY 368 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1si8 n ASN 369 N -0.71 3.62 -3.90 1.61 5.15 -1.26 -3.22 115.26 116.55 1si8 n ASN 369 Ca 0.00 1.21 -0.24 0.00 -0.60 0.00 0.00 54.58 54.94 1si8 n ASN 369 Cb 0.00 -1.59 -0.01 0.00 -0.53 0.00 0.00 39.78 37.65 1si8 n ASN 369 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 1si8 n MET 370 N 0.82 -3.59 -2.50 1.20 2.81 -1.26 -4.42 117.12 110.17 1si8 n MET 370 Ca 0.03 0.45 -0.43 0.00 -1.81 0.00 0.00 57.70 55.94 1si8 n MET 370 Cb 0.38 -4.65 -0.02 0.00 -0.71 0.00 0.00 33.22 28.22 1si8 n MET 370 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1si8 s ARG 371 N -6.43 3.61 0.26 0.03 6.06 -1.20 -4.88 118.95 116.41 1si8 s ARG 371 Ca 0.00 0.62 0.14 0.00 -2.50 0.00 0.00 55.73 53.99 1si8 s ARG 371 Cb -0.00 -3.98 0.16 0.00 0.06 0.00 0.00 34.95 31.19 1si8 s ARG 371 CO 0.87 -1.53 1.48 0.35 -2.50 0.00 0.00 175.30 173.97 1si8 h PHE 372 N 9.90 0.00 -2.50 5.12 3.57 -1.93 -3.44 116.94 127.65 1si8 h PHE 372 Ca -0.25 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.05 1si8 h PHE 372 Cb 1.08 0.00 -0.32 0.00 2.79 0.00 0.00 35.95 39.50 1si8 h PHE 372 CO 0.99 0.60 -0.51 1.21 -2.23 0.00 0.00 178.31 178.37 1si8 s ASN 373 N -6.54 0.44 0.00 0.41 3.04 -1.26 -4.99 114.94 106.04 1si8 s ASN 373 Ca 0.02 0.40 0.13 0.00 0.04 0.00 0.00 52.86 53.46 1si8 s ASN 373 Cb 0.09 0.84 -0.11 0.00 -1.54 0.00 0.00 41.25 40.53 1si8 s ASN 373 CO 0.75 -0.27 0.62 0.59 -3.04 0.00 0.00 177.10 175.75 1si8 n ASN 374 N 5.35 0.82 0.00 -4.21 5.03 -1.26 -4.97 115.26 116.03 1si8 n ASN 374 Ca -0.06 -0.91 0.00 0.00 0.87 0.00 0.00 54.58 54.48 1si8 n ASN 374 Cb 0.50 0.88 0.00 0.00 -1.02 0.00 0.00 39.78 40.14 1si8 n ASN 374 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1si8 n GLY 375 N 1.26 -1.82 0.19 7.41 0.00 -1.26 -4.78 105.19 106.19 1si8 n GLY 375 Ca 0.03 -1.61 -0.16 0.00 0.00 0.00 0.00 46.02 44.28 1si8 n GLY 375 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1si8 n ASN 376 N 0.37 2.12 -4.50 1.61 4.13 -1.26 -5.07 115.26 112.66 1si8 n ASN 376 Ca 0.00 0.03 -0.43 0.00 1.68 0.00 0.00 54.58 55.86 1si8 n ASN 376 Cb 0.00 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 37.83 1si8 n ASN 376 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1si8 n SER 377 N -3.37 -0.16 0.01 6.41 2.88 -1.26 -4.92 113.62 113.21 1si8 n SER 377 Ca -0.36 1.00 0.11 0.00 -1.33 0.00 0.00 58.87 58.29 1si8 n SER 377 Cb 0.83 -1.17 0.06 0.00 -0.75 0.00 0.00 64.21 63.18 1si8 n SER 377 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1si8 n GLU 378 N 0.58 0.10 -3.34 -1.46 1.02 -1.26 -4.81 120.64 111.46 1si8 n GLU 378 Ca 0.11 -0.00 -0.45 0.00 -0.02 0.00 0.00 57.16 56.80 1si8 n GLU 378 Cb 0.37 -1.53 -0.06 0.00 -0.02 0.00 0.00 31.44 30.19 1si8 n GLU 378 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1si8 s ILE 379 N -3.07 5.20 -0.24 -3.67 1.01 -1.26 -4.90 121.20 114.28 1si8 s ILE 379 Ca 0.08 -1.21 0.11 0.00 0.00 0.00 0.00 60.65 59.63 1si8 s ILE 379 Cb 0.16 -4.22 0.46 0.00 0.01 0.00 0.00 42.46 38.87 1si8 s ILE 379 CO 0.79 -0.71 1.35 -0.46 0.00 0.00 0.00 174.94 175.90 1si8 n ASN 380 N 5.28 2.28 -4.00 3.58 2.04 -1.26 -4.98 115.26 118.20 1si8 n ASN 380 Ca -0.13 -3.72 -0.09 0.00 -0.44 0.00 0.00 54.58 50.21 1si8 n ASN 380 Cb 0.42 -0.57 -0.10 0.00 -2.53 0.00 0.00 39.78 36.99 1si8 n ASN 380 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1si8 s TYR 381 N -3.19 0.31 -0.09 -2.53 -0.85 -1.26 -4.86 117.35 104.88 1si8 s TYR 381 Ca 0.41 -0.65 -0.07 0.00 -0.52 0.00 0.00 57.07 56.24 1si8 s TYR 381 Cb 0.38 -0.23 0.03 0.00 0.38 0.00 0.00 41.96 42.52 1si8 s TYR 381 CO -0.02 -0.27 0.23 -2.00 -1.52 0.00 0.00 175.55 171.97 1si8 s GLU 382 N -2.30 0.25 0.65 -3.49 -6.30 -1.26 -4.37 118.70 101.88 1si8 s GLU 382 Ca -0.08 0.37 -0.16 0.00 -2.50 0.00 0.00 54.97 52.60 1si8 s GLU 382 Cb -0.04 0.07 -0.01 0.00 0.00 0.00 0.00 34.13 34.15 1si8 s GLU 382 CO -0.04 -0.07 1.16 -1.25 0.02 0.00 0.00 175.26 175.08 1si8 s PRO 383 N 0.41 2.75 0.23 4.30 0.05 -1.26 -5.21 135.00 136.26 1si8 s PRO 383 Ca -0.02 1.60 -0.09 0.00 0.05 0.00 0.00 61.00 62.54 1si8 s PRO 383 Cb -0.04 -1.92 -0.01 0.00 0.05 0.00 0.00 34.50 32.57 1si8 s PRO 383 CO -0.02 -1.33 0.37 0.54 0.05 0.00 0.00 177.00 176.61 1si8 s ASN 384 N -2.12 -0.02 -0.24 6.66 2.20 -1.26 -5.06 114.94 115.09 1si8 s ASN 384 Ca 0.72 -1.05 0.08 0.00 -0.94 0.00 0.00 52.86 51.67 1si8 s ASN 384 Cb -0.25 0.52 0.58 0.00 -2.00 0.00 0.00 41.25 40.10 1si8 s ASN 384 CO 0.39 -1.05 1.55 -1.20 -2.94 0.00 0.00 177.10 173.84 1si8 n SER 385 N -0.34 4.21 -4.08 3.54 7.64 -1.26 -4.79 113.62 118.54 1si8 n SER 385 Ca -0.01 -2.91 -0.35 0.00 1.01 0.00 0.00 58.87 56.62 1si8 n SER 385 Cb 0.63 -0.69 -0.12 0.00 -1.01 0.00 0.00 64.21 63.02 1si8 n SER 385 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1si8 s TYR 386 N -2.40 3.57 0.47 1.43 1.51 -1.26 -4.97 117.35 115.69 1si8 s TYR 386 Ca 0.42 -2.66 0.29 0.00 -1.01 0.00 0.00 57.07 54.12 1si8 s TYR 386 Cb 0.33 -3.13 1.37 0.00 -0.11 0.00 0.00 41.96 40.43 1si8 s TYR 386 CO 0.11 -0.93 1.73 0.00 -1.11 0.00 0.00 175.55 175.35 1si8 h THR 387 N 6.17 0.35 0.00 -0.71 1.03 -2.02 -1.38 112.91 116.35 1si8 h THR 387 Ca -0.09 -0.06 -0.06 0.00 -0.01 0.00 0.00 66.41 66.20 1si8 h THR 387 Cb 1.01 0.17 -0.01 0.00 -1.07 0.00 0.00 68.15 68.25 1si8 h THR 387 CO 0.66 0.03 -0.27 1.05 -0.01 0.00 0.00 175.52 176.98 1si8 h GLU 388 N 0.17 0.00 -7.17 0.00 4.11 -2.00 -3.46 114.58 106.23 1si8 h GLU 388 Ca 0.67 0.00 -0.49 0.00 0.07 0.00 0.00 59.36 59.60 1si8 h GLU 388 Cb 2.18 0.00 0.07 0.00 0.50 0.00 0.00 28.75 31.49 1si8 h GLU 388 CO -0.21 0.27 0.38 0.95 0.07 0.00 0.00 179.01 180.47 1si8 s THR 389 N -4.18 3.65 0.16 -1.06 -4.23 -0.52 -4.96 115.64 104.49 1si8 s THR 389 Ca -0.03 0.83 -0.34 0.00 -1.18 0.00 0.00 61.69 60.98 1si8 s THR 389 Cb 0.14 -3.33 -0.15 0.00 1.34 0.00 0.00 72.50 70.49 1si8 s THR 389 CO 0.68 -0.41 1.38 -0.81 -0.54 0.00 0.00 174.62 174.92 1si8 n PRO 390 N -1.88 1.64 -4.29 3.99 -0.04 -1.26 -5.01 135.00 128.15 1si8 n PRO 390 Ca 0.09 0.59 -0.19 0.00 -0.04 0.00 0.00 63.50 63.95 1si8 n PRO 390 Cb 0.52 -2.24 -0.11 0.00 -0.04 0.00 0.00 33.50 31.64 1si8 n PRO 390 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1si8 s LYS 391 N 0.20 1.16 0.75 0.54 -0.14 -1.26 -5.04 119.74 115.95 1si8 s LYS 391 Ca 0.77 -1.35 -0.15 0.00 -1.36 0.00 0.00 55.97 53.88 1si8 s LYS 391 Cb -0.78 -1.09 0.05 0.00 -1.68 0.00 0.00 37.83 34.33 1si8 s LYS 391 CO 0.46 0.21 1.22 -1.83 -0.76 0.00 0.00 175.35 174.65 1si8 s GLU 392 N -2.86 1.97 -0.50 1.68 -1.05 -1.26 -5.00 118.70 111.68 1si8 s GLU 392 Ca 0.13 1.79 0.03 0.00 -0.15 0.00 0.00 54.97 56.77 1si8 s GLU 392 Cb -0.05 -1.81 0.13 0.00 -0.44 0.00 0.00 34.13 31.96 1si8 s GLU 392 CO 0.05 -1.97 0.25 0.34 0.95 0.00 0.00 175.26 174.88 1si8 s ASP 393 N -2.02 4.59 0.56 0.83 3.68 -1.26 -4.96 116.67 118.09 1si8 s ASP 393 Ca 0.75 -2.80 0.36 0.00 2.13 0.00 0.00 52.55 52.99 1si8 s ASP 393 Cb -0.30 -1.68 1.51 0.00 -1.45 0.00 0.00 42.92 41.00 1si8 s ASP 393 CO 0.47 -0.29 1.77 -0.65 0.13 0.00 0.00 175.17 176.59 1si8 h PRO 394 N 6.84 0.00 -0.12 4.34 0.11 -2.01 0.33 132.00 141.50 1si8 h PRO 394 Ca -0.06 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.08 1si8 h PRO 394 Cb 0.93 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1si8 h PRO 394 CO 0.67 0.00 0.09 1.15 -0.21 0.00 0.00 178.00 179.70 1si8 h THR 395 N 0.00 0.83 -0.04 -1.15 2.02 -2.04 -2.16 112.91 110.37 1si8 h THR 395 Ca 0.54 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.72 1si8 h THR 395 Cb 2.28 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1si8 h THR 395 CO -0.01 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.88 1si8 n ALA 396 N -2.51 2.59 -1.69 6.16 0.00 0.11 -4.93 120.51 120.25 1si8 n ALA 396 Ca -0.00 -0.39 -0.40 0.00 0.00 0.00 0.00 53.44 52.65 1si8 n ALA 396 Cb 0.21 -1.22 0.03 0.00 0.00 0.00 0.00 19.45 18.46 1si8 n ALA 396 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1si8 n LYS 397 N -0.08 1.57 -1.53 0.00 5.02 -0.81 -4.95 118.16 117.37 1si8 n LYS 397 Ca 0.19 0.57 -0.31 0.00 -2.02 0.00 0.00 58.31 56.74 1si8 n LYS 397 Cb 0.28 -2.36 0.06 0.00 -0.02 0.00 0.00 35.03 32.99 1si8 n LYS 397 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1si8 s ILE 398 N -1.30 3.94 0.17 -0.18 -4.36 -1.26 -4.97 121.20 113.23 1si8 s ILE 398 Ca 0.67 0.63 -0.30 0.00 -0.26 0.00 0.00 60.65 61.40 1si8 s ILE 398 Cb -0.47 -3.34 -0.08 0.00 1.25 0.00 0.00 42.46 39.82 1si8 s ILE 398 CO 0.53 -0.82 1.25 -0.94 0.24 0.00 0.00 174.94 175.20 1si8 s SER 399 N -3.73 7.00 0.39 4.36 1.04 -1.26 -4.99 113.70 116.51 1si8 s SER 399 Ca 0.58 2.27 -0.23 0.00 0.48 0.00 0.00 55.95 59.05 1si8 s SER 399 Cb -0.14 -2.60 -0.10 0.00 0.10 0.00 0.00 66.02 63.27 1si8 s SER 399 CO 0.55 -0.46 0.97 -0.94 0.98 0.00 0.00 173.24 174.35 1si8 s SER 400 N 0.39 6.99 0.04 7.02 1.04 -1.26 -5.06 113.70 122.86 1si8 s SER 400 Ca 0.56 1.82 -0.01 0.00 0.48 0.00 0.00 55.95 58.80 1si8 s SER 400 Cb -0.34 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.19 1si8 s SER 400 CO 0.36 -0.32 -0.01 0.72 0.98 0.00 0.00 173.24 174.97 1si8 s PHE 401 N -1.88 0.36 0.32 5.02 -0.71 -1.26 -5.15 117.98 114.68 1si8 s PHE 401 Ca 0.58 -0.75 -0.28 0.00 -1.04 0.00 0.00 56.93 55.43 1si8 s PHE 401 Cb -0.15 -0.27 -0.09 0.00 -1.21 0.00 0.00 43.02 41.30 1si8 s PHE 401 CO 0.20 -0.30 1.11 -2.00 -1.34 0.00 0.00 175.22 172.88 1si8 s GLU 402 N -2.70 4.49 0.02 1.99 2.12 -1.26 -5.06 118.70 118.30 1si8 s GLU 402 Ca -0.04 1.78 0.06 0.00 0.36 0.00 0.00 54.97 57.12 1si8 s GLU 402 Cb -0.01 -3.02 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 1si8 s GLU 402 CO -0.05 0.08 -0.15 0.54 -0.54 0.00 0.00 175.26 175.13 1si8 s VAL 403 N -1.27 2.99 0.05 3.70 0.11 -1.26 -5.13 120.40 119.58 1si8 s VAL 403 Ca 0.48 -1.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.49 1si8 s VAL 403 Cb -0.30 -2.26 -0.03 0.00 -1.53 0.00 0.00 36.38 32.25 1si8 s VAL 403 CO 0.39 0.38 -0.04 -0.70 -3.33 0.00 0.00 175.10 171.79 1si8 s GLU 404 N -1.35 0.53 3.48 1.54 2.12 -1.26 -5.12 118.70 118.65 1si8 s GLU 404 Ca 0.15 -0.96 0.00 0.00 0.36 0.00 0.00 54.97 54.52 1si8 s GLU 404 Cb -0.11 0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.30 1si8 s GLU 404 CO 0.05 -0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.14 1si8 n GLY 405 N 0.81 0.14 3.65 -1.50 0.00 -1.26 -4.91 105.19 102.12 1si8 n GLY 405 Ca -0.19 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 1si8 n GLY 405 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1si8 s ASN 406 N -4.00 4.79 0.16 1.61 0.01 -1.26 -5.08 114.94 111.16 1si8 s ASN 406 Ca 0.00 -0.32 -0.30 0.00 -0.71 0.00 0.00 52.86 51.53 1si8 s ASN 406 Cb 0.00 -1.04 -0.08 0.00 0.41 0.00 0.00 41.25 40.54 1si8 s ASN 406 CO 0.00 0.14 1.29 -0.69 -1.51 0.00 0.00 177.10 176.33 1si8 s VAL 407 N -1.48 3.40 -0.13 1.60 1.01 -1.26 -4.93 120.40 118.60 1si8 s VAL 407 Ca 0.26 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.34 1si8 s VAL 407 Cb -0.10 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1si8 s VAL 407 CO 0.18 0.14 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1si8 n GLY 408 N 2.70 -1.17 3.30 4.51 0.00 -1.26 -5.08 105.19 108.19 1si8 n GLY 408 Ca 0.07 -0.94 -0.45 0.00 0.00 0.00 0.00 46.02 44.70 1si8 n GLY 408 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1si8 s ASN 409 N -1.45 6.41 0.06 1.61 0.01 -1.26 -5.06 114.94 115.26 1si8 s ASN 409 Ca 0.00 -2.39 -0.09 0.00 -0.71 0.00 0.00 52.86 49.67 1si8 s ASN 409 Cb 0.00 -2.17 -0.05 0.00 0.41 0.00 0.00 41.25 39.44 1si8 s ASN 409 CO 0.00 -0.65 0.36 -0.31 -1.51 0.00 0.00 177.10 174.99 1si8 s TYR 410 N 0.64 3.58 0.28 2.20 1.51 -1.26 -5.09 117.35 119.21 1si8 s TYR 410 Ca 0.13 0.71 0.04 0.00 -1.01 0.00 0.00 57.07 56.93 1si8 s TYR 410 Cb -0.18 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 1si8 s TYR 410 CO -0.04 0.55 0.43 -1.12 -1.11 0.00 0.00 175.55 174.26 1si8 s SER 411 N -1.75 6.28 0.63 2.29 0.01 -1.26 -5.11 113.70 114.79 1si8 s SER 411 Ca 0.31 0.18 0.05 0.00 1.31 0.00 0.00 55.95 57.80 1si8 s SER 411 Cb -0.14 -1.87 0.10 0.00 0.21 0.00 0.00 66.02 64.33 1si8 s SER 411 CO 0.18 -0.18 0.87 -0.31 0.41 0.00 0.00 173.24 174.20 1si8 s TYR 412 N -2.11 1.62 1.00 2.43 2.02 -1.26 -5.08 117.35 115.97 1si8 s TYR 412 Ca 0.37 -0.49 -0.15 0.00 -0.37 0.00 0.00 57.07 56.43 1si8 s TYR 412 Cb -0.09 -2.58 0.02 0.00 -0.40 0.00 0.00 41.96 38.91 1si8 s TYR 412 CO 0.32 -1.34 0.07 -1.71 -1.57 0.00 0.00 175.55 171.31 1si8 n ASN 413 N -2.48 -2.67 -0.59 2.29 5.15 -1.26 -4.96 115.26 110.74 1si8 n ASN 413 Ca 0.15 0.17 0.07 0.00 -0.60 0.00 0.00 54.58 54.37 1si8 n ASN 413 Cb 0.61 -1.05 0.17 0.00 -0.53 0.00 0.00 39.78 38.98 1si8 n ASN 413 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1si8 n GLN 414 N -1.12 2.71 -2.14 1.20 6.02 -1.26 -4.87 117.38 117.93 1si8 n GLN 414 Ca 0.04 -2.36 -0.42 0.00 -0.01 0.00 0.00 57.00 54.24 1si8 n GLN 414 Cb 0.57 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.34 1si8 n GLN 414 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1si8 n ASP 415 N -0.26 4.39 -0.25 1.08 2.03 -1.26 -4.66 116.55 117.62 1si8 n ASP 415 Ca 0.14 -2.88 0.11 0.00 0.52 0.00 0.00 54.79 52.68 1si8 n ASP 415 Cb 0.61 -1.70 0.05 0.00 -0.72 0.00 0.00 41.12 39.37 1si8 n ASP 415 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1si8 n HIS 416 N 7.12 0.00 -0.07 -0.67 8.25 -1.26 -4.66 115.22 123.93 1si8 n HIS 416 Ca 0.50 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.88 1si8 n HIS 416 Cb 0.42 -0.05 -0.08 0.00 1.12 0.00 0.00 29.99 31.40 1si8 n HIS 416 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1si8 n PHE 417 N -0.75 0.00 -0.03 4.41 3.72 -1.26 -4.49 117.46 119.05 1si8 n PHE 417 Ca 0.08 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.37 1si8 n PHE 417 Cb 0.39 -0.60 -0.04 0.00 -0.94 0.00 0.00 39.48 38.29 1si8 n PHE 417 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1si8 h THR 418 N 0.00 0.23 -0.08 4.37 2.02 -1.91 -0.99 112.91 116.55 1si8 h THR 418 Ca -0.34 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.75 1si8 h THR 418 Cb 1.64 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1si8 h THR 418 CO -0.02 0.00 -0.36 1.56 0.37 0.00 0.00 175.52 177.07 1si8 h GLN 419 N -0.38 0.16 -0.30 6.66 4.20 -1.89 -1.36 115.11 122.20 1si8 h GLN 419 Ca 0.11 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 1si8 h GLN 419 Cb 0.57 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1si8 h GLN 419 CO -0.42 0.50 -0.27 0.00 -0.67 0.00 0.00 178.83 177.97 1si8 h ALA 420 N 1.50 0.97 -0.39 3.87 0.00 -1.73 -2.10 119.26 121.38 1si8 h ALA 420 Ca 0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1si8 h ALA 420 Cb 0.70 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1si8 h ALA 420 CO 0.05 0.60 -0.16 -0.97 0.00 0.00 0.00 179.25 178.78 1si8 h ASN 421 N 0.52 0.82 -0.66 0.00 -1.24 -0.69 -0.42 115.58 113.91 1si8 h ASN 421 Ca 0.07 -0.39 0.05 0.00 0.71 0.00 0.00 56.30 56.73 1si8 h ASN 421 Cb 0.74 -0.23 -0.05 0.00 0.73 0.00 0.00 38.32 39.51 1si8 h ASN 421 CO 0.06 1.03 0.38 0.00 -1.29 0.00 0.00 177.43 177.61 1si8 h ALA 422 N 0.82 0.87 -0.26 1.57 0.00 -1.04 0.70 119.26 121.93 1si8 h ALA 422 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1si8 h ALA 422 Cb 0.70 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1si8 h ALA 422 CO 0.05 0.09 -0.00 1.25 0.00 0.00 0.00 179.25 180.64 1si8 h LEU 423 N 0.73 0.45 -1.03 0.00 5.85 -1.21 -2.45 115.31 117.63 1si8 h LEU 423 Ca 0.28 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.77 1si8 h LEU 423 Cb 0.12 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 1si8 h LEU 423 CO -0.15 0.65 0.64 0.22 -0.34 0.00 0.00 178.44 179.45 1si8 h TYR 424 N 0.23 1.16 0.00 1.25 5.03 -0.46 -1.48 116.97 122.70 1si8 h TYR 424 Ca 0.07 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.38 1si8 h TYR 424 Cb 0.42 -0.38 -0.00 0.00 1.55 0.00 0.00 36.73 38.32 1si8 h TYR 424 CO 0.04 0.56 -0.16 -0.91 -1.32 0.00 0.00 178.16 176.36 1si8 h ASN 425 N 1.10 0.00 0.87 -2.11 2.35 -0.63 -3.13 115.58 114.02 1si8 h ASN 425 Ca 0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.20 1si8 h ASN 425 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 1si8 h ASN 425 CO -0.20 0.16 -0.49 0.00 -1.65 0.00 0.00 177.43 175.26 1si8 n LEU 426 N -3.30 0.62 -4.72 1.61 -0.00 -0.58 -4.88 117.00 105.75 1si8 n LEU 426 Ca 0.00 0.24 -0.42 0.00 -0.00 0.00 0.00 56.01 55.84 1si8 n LEU 426 Cb 0.41 -0.23 -0.03 0.00 -0.00 0.00 0.00 43.42 43.57 1si8 n LEU 426 CO 0.32 -0.03 0.93 -0.76 -0.00 0.00 0.00 177.39 177.85 1si8 s LEU 427 N -3.93 4.37 0.62 1.47 1.43 -1.05 -5.00 118.68 116.60 1si8 s LEU 427 Ca 0.08 2.11 -0.18 0.00 -1.03 0.00 0.00 54.13 55.12 1si8 s LEU 427 Cb 0.14 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.76 1si8 s LEU 427 CO 0.69 -0.51 1.21 -2.16 0.23 0.00 0.00 176.35 175.80 1si8 s PRO 428 N 0.99 2.80 0.29 1.29 0.04 -1.26 -4.68 135.00 134.48 1si8 s PRO 428 Ca 0.60 1.80 -0.00 0.00 0.04 0.00 0.00 61.00 63.43 1si8 s PRO 428 Cb -0.32 -1.91 0.67 0.00 0.04 0.00 0.00 34.50 32.99 1si8 s PRO 428 CO 0.30 -1.33 1.59 0.66 0.04 0.00 0.00 177.00 178.26 1si8 h SER 429 N 0.62 -0.45 -0.43 6.66 4.64 -1.98 0.80 113.55 123.40 1si8 h SER 429 Ca -0.50 0.26 -0.05 0.00 -0.47 0.00 0.00 61.79 61.03 1si8 h SER 429 Cb 1.30 0.45 -0.02 0.00 -0.31 0.00 0.00 62.40 63.82 1si8 h SER 429 CO 0.54 -0.31 0.10 1.05 -0.87 0.00 0.00 176.83 177.35 1si8 h GLU 430 N 0.04 0.77 -0.00 4.77 9.09 -2.01 -2.01 114.58 125.23 1si8 h GLU 430 Ca 0.55 -0.16 -0.17 0.00 0.05 0.00 0.00 59.36 59.64 1si8 h GLU 430 Cb 1.10 -0.12 -0.02 0.00 -1.65 0.00 0.00 28.75 28.06 1si8 h GLU 430 CO -0.86 0.71 -0.80 1.49 0.05 0.00 0.00 179.01 179.60 1si8 h GLU 431 N 0.74 0.02 -0.68 1.06 4.81 -1.24 -2.95 114.58 116.34 1si8 h GLU 431 Ca 0.16 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1si8 h GLU 431 Cb 0.30 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1si8 h GLU 431 CO 0.00 0.80 0.13 0.87 -0.73 0.00 0.00 179.01 180.08 1si8 h LYS 432 N 0.01 1.11 -0.73 1.92 1.57 -0.76 0.11 116.57 119.80 1si8 h LYS 432 Ca -0.01 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1si8 h LYS 432 Cb 1.40 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.54 1si8 h LYS 432 CO 0.11 1.00 0.49 1.49 -0.57 0.00 0.00 179.45 181.96 1si8 h GLU 433 N 1.04 0.96 -0.53 3.15 4.81 -1.33 -0.43 114.58 122.25 1si8 h GLU 433 Ca 0.21 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1si8 h GLU 433 Cb 0.42 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1si8 h GLU 433 CO 0.01 0.64 0.09 -0.91 -0.73 0.00 0.00 179.01 178.11 1si8 h ASN 434 N 0.99 0.83 -0.20 1.04 2.35 -1.26 -0.56 115.58 118.77 1si8 h ASN 434 Ca 0.27 -0.26 0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1si8 h ASN 434 Cb -0.11 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.00 1si8 h ASN 434 CO -0.06 0.87 -0.06 0.25 -1.65 0.00 0.00 177.43 176.79 1si8 h LEU 435 N 0.75 -0.20 -0.21 1.61 7.12 -0.23 0.28 115.31 124.43 1si8 h LEU 435 Ca 0.16 0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.22 1si8 h LEU 435 Cb 0.39 0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.64 1si8 h LEU 435 CO 0.01 -0.07 0.08 0.40 -0.13 0.00 0.00 178.44 178.72 1si8 h ILE 436 N -0.01 1.17 -0.53 4.05 1.08 -0.93 -1.90 117.51 120.43 1si8 h ILE 436 Ca 0.10 -0.52 -0.06 0.00 -0.39 0.00 0.00 64.86 63.98 1si8 h ILE 436 Cb 0.16 1.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.01 1si8 h ILE 436 CO -0.21 0.17 0.08 0.78 -0.69 0.00 0.00 178.15 178.27 1si8 h ASN 437 N 0.18 0.80 -0.55 1.72 2.35 -0.84 0.79 115.58 120.03 1si8 h ASN 437 Ca 0.07 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.61 1si8 h ASN 437 Cb 0.19 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1si8 h ASN 437 CO -0.00 0.82 0.19 0.78 -1.65 0.00 0.00 177.43 177.56 1si8 h ASN 438 N 0.80 0.79 -0.15 5.81 2.35 -0.28 -0.35 115.58 124.55 1si8 h ASN 438 Ca 0.17 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 1si8 h ASN 438 Cb 0.37 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 1si8 h ASN 438 CO 0.01 0.77 -0.02 0.40 -1.65 0.00 0.00 177.43 176.94 1si8 h ILE 439 N 0.76 1.28 -0.48 2.81 2.04 -1.02 -2.87 117.51 120.02 1si8 h ILE 439 Ca 0.18 -0.93 0.06 0.00 1.00 0.00 0.00 64.86 65.17 1si8 h ILE 439 Cb 0.26 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 1si8 h ILE 439 CO -0.01 0.27 0.18 0.00 0.00 0.00 0.00 178.15 178.60 1si8 h ALA 440 N 0.73 0.59 -0.44 1.87 0.00 -0.68 0.54 119.26 121.87 1si8 h ALA 440 Ca 0.04 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1si8 h ALA 440 Cb 0.43 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1si8 h ALA 440 CO 0.01 -0.21 0.29 0.00 0.00 0.00 0.00 179.25 179.35 1si8 h ALA 441 N 1.31 1.86 0.00 0.00 0.00 -1.04 0.38 119.26 121.78 1si8 h ALA 441 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1si8 h ALA 441 Cb 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1si8 h ALA 441 CO -0.22 0.08 -0.41 1.03 0.00 0.00 0.00 179.25 179.72 1si8 h SER 442 N 0.44 0.00 -0.12 0.00 0.87 -1.01 -3.37 113.55 110.36 1si8 h SER 442 Ca 0.18 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.75 1si8 h SER 442 Cb 0.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1si8 h SER 442 CO -0.04 0.69 0.08 0.25 -0.53 0.00 0.00 176.83 177.27 1si8 h LEU 443 N -0.96 0.10 -1.44 2.23 5.85 -0.03 -1.50 115.31 119.56 1si8 h LEU 443 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1si8 h LEU 443 Cb 0.41 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1si8 h LEU 443 CO 0.00 0.07 0.00 1.23 -0.34 0.00 0.00 178.44 179.40 1si8 h GLY 444 N 0.12 0.00 1.55 3.75 0.00 -0.36 -1.78 103.07 106.35 1si8 h GLY 444 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1si8 h GLY 444 CO -0.01 0.00 -0.24 -1.06 0.00 0.00 0.00 176.54 175.23 1si8 n GLN 445 N -2.47 0.04 -2.29 4.80 6.02 -0.56 -4.87 117.38 118.04 1si8 n GLN 445 Ca -0.00 0.02 -0.40 0.00 -0.01 0.00 0.00 57.00 56.61 1si8 n GLN 445 Cb 0.13 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 1si8 n GLN 445 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1si8 s VAL 446 N -3.02 3.11 -0.19 5.09 1.01 -0.67 -4.81 120.40 120.91 1si8 s VAL 446 Ca 0.12 1.04 -0.08 0.00 0.00 0.00 0.00 61.98 63.06 1si8 s VAL 446 Cb 0.18 -3.63 -0.21 0.00 0.00 0.00 0.00 36.38 32.72 1si8 s VAL 446 CO 0.61 0.19 0.09 0.29 0.00 0.00 0.00 175.10 176.29 1si8 n LYS 447 N 0.62 0.67 -1.83 2.72 4.76 -1.26 -4.83 118.16 119.01 1si8 n LYS 447 Ca 0.01 0.29 -0.39 0.00 -2.87 0.00 0.00 58.31 55.36 1si8 n LYS 447 Cb 0.44 -1.64 -0.03 0.00 -1.84 0.00 0.00 35.03 31.97 1si8 n LYS 447 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1si8 s ASN 448 N -6.93 5.13 0.55 4.39 3.84 -1.26 -4.83 114.94 115.82 1si8 s ASN 448 Ca -0.29 0.91 0.23 0.00 0.21 0.00 0.00 52.86 53.92 1si8 s ASN 448 Cb 0.08 -2.52 1.46 0.00 -0.55 0.00 0.00 41.25 39.72 1si8 s ASN 448 CO 0.66 -2.38 2.11 1.56 -2.79 0.00 0.00 177.10 176.26 1si8 h GLN 449 N 16.12 0.00 -0.06 0.43 4.20 -2.00 -0.84 115.11 132.96 1si8 h GLN 449 Ca -0.28 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.34 1si8 h GLN 449 Cb 1.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 1si8 h GLN 449 CO 1.14 0.00 -0.37 0.93 -0.67 0.00 0.00 178.83 179.85 1si8 h GLU 450 N 0.00 0.13 -0.11 1.46 5.08 -1.99 -1.01 114.58 118.13 1si8 h GLU 450 Ca 0.08 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1si8 h GLU 450 Cb 0.37 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1si8 h GLU 450 CO -0.00 0.49 -0.29 0.82 -1.00 0.00 0.00 179.01 179.02 1si8 h ILE 451 N 0.11 1.39 -0.56 3.13 2.04 -1.55 -2.06 117.51 120.01 1si8 h ILE 451 Ca 0.01 -1.61 -0.00 0.00 1.00 0.00 0.00 64.86 64.26 1si8 h ILE 451 Cb 0.72 2.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.92 1si8 h ILE 451 CO 0.05 0.47 0.34 0.40 0.00 0.00 0.00 178.15 179.42 1si8 h ILE 452 N -0.05 1.16 -0.39 -0.67 2.04 -1.33 -1.03 117.51 117.25 1si8 h ILE 452 Ca -0.01 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1si8 h ILE 452 Cb 0.91 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1si8 h ILE 452 CO 0.06 0.16 0.15 0.00 0.00 0.00 0.00 178.15 178.53 1si8 h ALA 453 N 1.17 0.50 -0.64 1.87 0.00 -1.22 0.11 119.26 121.06 1si8 h ALA 453 Ca 0.20 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1si8 h ALA 453 Cb -0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1si8 h ALA 453 CO -0.04 0.11 0.41 -0.09 0.00 0.00 0.00 179.25 179.64 1si8 h ARG 454 N 0.48 0.81 -0.33 0.00 2.43 -1.15 -0.16 114.38 116.46 1si8 h ARG 454 Ca 0.13 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1si8 h ARG 454 Cb 0.19 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1si8 h ARG 454 CO -0.01 0.54 -0.02 0.37 -1.51 0.00 0.00 179.97 179.34 1si8 h GLN 455 N 0.84 0.59 -0.62 0.20 5.75 -0.90 -2.33 115.11 118.63 1si8 h GLN 455 Ca 0.24 -0.20 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1si8 h GLN 455 Cb -0.06 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.41 1si8 h GLN 455 CO -0.07 0.73 0.31 0.82 -2.65 0.00 0.00 178.83 177.98 1si8 h ILE 456 N 0.39 1.20 -0.18 2.39 2.04 -0.47 -0.68 117.51 122.20 1si8 h ILE 456 Ca 0.09 -0.54 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 1si8 h ILE 456 Cb 0.48 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1si8 h ILE 456 CO 0.02 0.23 -0.15 0.44 0.00 0.00 0.00 178.15 178.69 1si8 h ASP 457 N 0.87 0.28 -0.15 1.72 3.32 -0.82 0.22 116.42 121.86 1si8 h ASP 457 Ca 0.22 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1si8 h ASP 457 Cb 0.07 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1si8 h ASP 457 CO -0.03 0.46 -0.00 -0.07 -1.72 0.00 0.00 179.24 177.88 1si8 h LEU 458 N 0.28 0.26 -0.77 1.55 4.07 -0.62 -1.45 115.31 118.62 1si8 h LEU 458 Ca 0.05 -0.31 -0.05 0.00 0.08 0.00 0.00 57.88 57.65 1si8 h LEU 458 Cb 0.43 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.07 1si8 h LEU 458 CO 0.03 0.50 0.28 -0.26 -1.08 0.00 0.00 178.44 177.91 1si8 h PHE 459 N 0.00 1.20 -0.75 1.13 0.04 -0.83 -2.05 116.94 115.69 1si8 h PHE 459 Ca 0.04 -0.10 0.03 0.00 2.80 0.00 0.00 57.97 60.73 1si8 h PHE 459 Cb 0.37 -0.35 -0.04 0.00 2.20 0.00 0.00 35.95 38.13 1si8 h PHE 459 CO 0.03 0.93 0.49 1.15 -0.60 0.00 0.00 178.31 180.31 1si8 h THR 460 N 1.13 1.14 0.00 -1.55 2.02 -0.83 0.26 112.91 115.07 1si8 h THR 460 Ca 0.25 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 1si8 h THR 460 Cb 0.26 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1si8 h THR 460 CO -0.02 0.17 -0.08 0.03 0.37 0.00 0.00 175.52 176.00 1si8 h ARG 461 N 0.95 0.00 -0.00 6.66 3.08 -0.56 -2.67 114.38 121.83 1si8 h ARG 461 Ca 0.29 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.34 1si8 h ARG 461 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1si8 h ARG 461 CO -0.08 0.08 -0.00 0.28 -1.07 0.00 0.00 179.97 179.18 1si8 h VAL 462 N 0.00 1.62 -1.99 2.04 2.07 -0.59 -3.47 116.25 115.93 1si8 h VAL 462 Ca -0.00 -1.84 0.03 0.00 0.82 0.00 0.00 66.70 65.71 1si8 h VAL 462 Cb 0.56 2.87 -0.21 0.00 -1.52 0.00 0.00 31.29 32.99 1si8 h VAL 462 CO 0.01 0.48 0.02 0.21 0.02 0.00 0.00 177.57 178.31 1si8 s ASN 463 N -6.00 -0.95 0.27 0.57 2.47 -0.60 -4.57 114.94 106.13 1si8 s ASN 463 Ca -0.18 1.51 -0.00 0.00 0.42 0.00 0.00 52.86 54.61 1si8 s ASN 463 Cb -0.01 1.44 0.55 0.00 -1.45 0.00 0.00 41.25 41.78 1si8 s ASN 463 CO 0.68 -0.24 1.77 -0.65 -3.72 0.00 0.00 177.10 174.95 1si8 h PRO 464 N 7.03 0.64 -0.58 0.43 0.11 -1.73 -1.29 132.00 136.62 1si8 h PRO 464 Ca -0.29 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 1si8 h PRO 464 Cb 1.22 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1si8 h PRO 464 CO 0.16 0.42 0.15 1.49 -0.21 0.00 0.00 178.00 180.01 1si8 h GLU 465 N 0.66 0.92 0.25 1.05 4.81 -1.92 -0.89 114.58 119.46 1si8 h GLU 465 Ca 0.47 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.49 1si8 h GLU 465 Cb 0.66 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 1si8 h GLU 465 CO -0.36 0.85 -0.44 -0.92 -0.73 0.00 0.00 179.01 177.41 1si8 h TYR 466 N 0.83 -1.23 -0.78 0.92 5.03 -1.53 0.23 116.97 120.44 1si8 h TYR 466 Ca 0.18 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.49 1si8 h TYR 466 Cb 0.33 0.51 -0.04 0.00 1.55 0.00 0.00 36.73 39.08 1si8 h TYR 466 CO 0.02 -0.56 0.40 0.78 -1.32 0.00 0.00 178.16 177.49 1si8 h GLY 467 N -0.76 1.17 0.96 1.82 0.00 -1.39 -1.93 103.07 102.94 1si8 h GLY 467 Ca -0.01 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.77 1si8 h GLY 467 CO -0.18 0.53 0.08 0.00 0.00 0.00 0.00 176.54 176.97 1si8 h ALA 468 N 1.21 0.17 -0.89 3.60 0.00 -0.79 -1.22 119.26 121.33 1si8 h ALA 468 Ca 0.27 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1si8 h ALA 468 Cb 0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1si8 h ALA 468 CO -0.04 -0.31 0.55 0.00 0.00 0.00 0.00 179.25 179.45 1si8 h ARG 469 N 0.14 1.21 -0.10 0.00 3.08 -0.40 -0.43 114.38 117.87 1si8 h ARG 469 Ca 0.05 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1si8 h ARG 469 Cb 0.04 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.83 1si8 h ARG 469 CO -0.01 0.84 0.03 0.28 -1.07 0.00 0.00 179.97 180.04 1si8 h VAL 470 N 1.23 1.19 -0.52 2.04 2.07 -1.14 -0.71 116.25 120.41 1si8 h VAL 470 Ca 0.32 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 67.28 1si8 h VAL 470 Cb -0.06 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1si8 h VAL 470 CO -0.06 0.17 0.30 0.00 0.02 0.00 0.00 177.57 178.00 1si8 h ALA 471 N 0.82 0.67 0.07 1.67 0.00 -0.98 -1.39 119.26 120.11 1si8 h ALA 471 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1si8 h ALA 471 Cb 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1si8 h ALA 471 CO 0.00 0.00 -0.03 0.37 0.00 0.00 0.00 179.25 179.59 1si8 h GLN 472 N 0.60 -0.09 -0.89 0.00 4.15 -0.97 -1.49 115.11 116.42 1si8 h GLN 472 Ca 0.21 0.01 0.17 0.00 0.77 0.00 0.00 58.65 59.81 1si8 h GLN 472 Cb 0.04 0.02 -0.10 0.00 0.21 0.00 0.00 27.48 27.65 1si8 h GLN 472 CO -0.10 -0.02 0.47 0.00 -1.93 0.00 0.00 178.83 177.25 1si8 h ALA 473 N 0.79 1.40 -0.32 3.38 0.00 -0.71 -0.93 119.26 122.88 1si8 h ALA 473 Ca -0.01 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 1si8 h ALA 473 Cb 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1si8 h ALA 473 CO 0.02 -0.14 -0.18 0.82 0.00 0.00 0.00 179.25 179.77 1si8 h ILE 474 N 0.60 1.29 -0.52 0.00 2.04 -0.98 -2.99 117.51 116.95 1si8 h ILE 474 Ca 0.51 -1.30 0.05 0.00 1.00 0.00 0.00 64.86 65.12 1si8 h ILE 474 Cb 0.80 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 1si8 h ILE 474 CO -0.40 0.42 0.35 0.50 0.00 0.00 0.00 178.15 179.01 1si8 h LYS 475 N 0.44 0.49 -0.99 2.37 3.64 -0.13 -1.99 116.57 120.39 1si8 h LYS 475 Ca 0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1si8 h LYS 475 Cb 0.72 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1si8 h LYS 475 CO 0.05 0.32 0.00 1.04 -2.27 0.00 0.00 179.45 178.59 1si8 n GLN 476 N -4.47 0.85 0.00 1.90 6.02 -0.62 -5.11 117.38 115.94 1si8 n GLN 476 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1si8 n GLN 476 Cb 0.22 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 30.21 1si8 n GLN 476 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09