#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfg h ASP 2 N 0.00 0.64 -4.85 6.12 3.32 -1.50 -2.31 116.42 117.84 1nfg h ASP 2 Ca 0.00 -0.32 -0.15 0.00 0.02 0.00 0.00 57.03 56.58 1nfg h ASP 2 Cb 0.00 -0.17 -0.21 0.00 0.22 0.00 0.00 39.33 39.17 1nfg h ASP 2 CO 0.00 0.80 -0.49 -0.63 -1.72 0.00 0.00 179.24 177.21 1nfg s ILE 3 N -4.96 0.07 -0.06 0.35 1.01 -0.92 -2.28 121.20 114.42 1nfg s ILE 3 Ca -0.13 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 59.92 1nfg s ILE 3 Cb 0.09 -0.42 0.02 0.00 0.01 0.00 0.00 42.46 42.16 1nfg s ILE 3 CO 0.78 -0.33 -0.07 -0.63 0.00 0.00 0.00 174.94 174.69 1nfg s ILE 4 N -1.22 0.76 -0.28 2.92 1.01 -0.84 -0.41 121.20 123.14 1nfg s ILE 4 Ca -0.13 -0.23 -0.05 0.00 0.00 0.00 0.00 60.65 60.24 1nfg s ILE 4 Cb -0.07 -0.76 0.02 0.00 0.01 0.00 0.00 42.46 41.66 1nfg s ILE 4 CO 0.02 0.28 0.04 -0.63 0.00 0.00 0.00 174.94 174.65 1nfg s ILE 5 N 1.01 3.59 0.27 2.92 1.01 -0.82 -0.14 121.20 129.03 1nfg s ILE 5 Ca -0.09 -0.85 0.11 0.00 0.00 0.00 0.00 60.65 59.81 1nfg s ILE 5 Cb -0.14 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 1nfg s ILE 5 CO -0.00 0.09 -0.09 -1.59 0.00 0.00 0.00 174.94 173.34 1nfg s LYS 6 N 1.43 2.01 -0.98 2.79 -2.85 -0.42 -0.38 119.74 121.34 1nfg s LYS 6 Ca 0.01 -1.58 0.00 0.00 -1.00 0.00 0.00 55.97 53.41 1nfg s LYS 6 Cb -0.17 -1.98 0.00 0.00 -2.06 0.00 0.00 37.83 33.61 1nfg s LYS 6 CO 0.00 0.35 0.00 0.09 0.10 0.00 0.00 175.35 175.89 1nfg n ASN 7 N -0.76 -4.91 -4.89 0.03 3.02 -1.26 -0.25 115.26 106.24 1nfg n ASN 7 Ca -0.06 0.23 -0.20 0.00 -0.03 0.00 0.00 54.58 54.52 1nfg n ASN 7 Cb 0.59 -3.22 -0.03 0.00 -0.61 0.00 0.00 39.78 36.51 1nfg n ASN 7 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1nfg s GLY 8 N -2.52 2.00 -0.37 7.41 0.00 -1.25 -3.07 107.32 109.52 1nfg s GLY 8 Ca 0.00 -1.78 -0.08 0.00 0.00 0.00 0.00 44.72 42.86 1nfg s GLY 8 CO 0.00 -1.63 0.16 -1.59 0.00 0.00 0.00 173.10 170.04 1nfg s THR 9 N -2.40 3.99 -0.22 0.90 2.01 -0.79 -3.02 115.64 116.10 1nfg s THR 9 Ca 0.47 -1.19 -0.29 0.00 0.31 0.00 0.00 61.69 60.99 1nfg s THR 9 Cb -0.05 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.13 1nfg s THR 9 CO 0.28 -0.29 1.45 -0.63 -0.69 0.00 0.00 174.62 174.74 1nfg s ILE 10 N 1.42 3.94 -0.35 1.82 1.01 -0.04 -0.78 121.20 128.22 1nfg s ILE 10 Ca 0.00 1.09 -0.01 0.00 0.00 0.00 0.00 60.65 61.74 1nfg s ILE 10 Cb -0.20 -3.89 0.08 0.00 0.01 0.00 0.00 42.46 38.46 1nfg s ILE 10 CO 0.03 -0.30 0.08 -0.69 0.00 0.00 0.00 174.94 174.06 1nfg s VAL 11 N 4.49 2.89 0.58 2.92 1.01 -0.89 -1.70 120.40 129.70 1nfg s VAL 11 Ca 0.63 -1.86 0.08 0.00 0.00 0.00 0.00 61.98 60.83 1nfg s VAL 11 Cb -0.22 -2.88 0.07 0.00 0.00 0.00 0.00 36.38 33.35 1nfg s VAL 11 CO 0.24 -0.43 0.62 0.42 0.00 0.00 0.00 175.10 175.95 1nfg s THR 12 N 1.12 1.77 0.41 3.92 -4.23 -0.50 -4.32 115.64 113.82 1nfg s THR 12 Ca 0.03 -1.25 0.16 0.00 -1.18 0.00 0.00 61.69 59.45 1nfg s THR 12 Cb -0.21 -2.02 0.17 0.00 1.34 0.00 0.00 72.50 71.78 1nfg s THR 12 CO -0.04 0.00 1.94 0.00 -0.54 0.00 0.00 174.62 175.98 1nfg h ALA 13 N 0.41 1.50 -1.18 3.99 0.00 -1.89 -3.24 119.26 118.84 1nfg h ALA 13 Ca -0.32 -0.22 -0.47 0.00 0.00 0.00 0.00 54.91 53.90 1nfg h ALA 13 Cb 1.30 -0.04 -0.41 0.00 0.00 0.00 0.00 17.79 18.64 1nfg h ALA 13 CO 0.48 0.31 -0.96 -0.25 0.00 0.00 0.00 179.25 178.83 1nfg n ASP 14 N -4.11 3.13 0.00 0.00 8.00 -1.26 -4.71 116.55 117.60 1nfg n ASP 14 Ca -0.02 -3.19 0.00 0.00 0.71 0.00 0.00 54.79 52.29 1nfg n ASP 14 Cb 0.31 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1nfg n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nfg n GLY 15 N -0.32 1.18 2.67 0.44 0.00 -1.22 -5.13 105.19 102.81 1nfg n GLY 15 Ca 0.25 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1nfg n GLY 15 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nfg s ILE 16 N -1.58 -0.21 -0.08 -0.61 1.01 -1.26 -1.41 121.20 117.07 1nfg s ILE 16 Ca 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 60.65 60.37 1nfg s ILE 16 Cb 0.00 -0.68 0.03 0.00 0.01 0.00 0.00 42.46 41.82 1nfg s ILE 16 CO 0.00 -0.30 0.20 -0.94 0.00 0.00 0.00 174.94 173.90 1nfg s SER 17 N 2.23 -0.21 -0.49 3.58 1.04 -0.69 -4.99 113.70 114.17 1nfg s SER 17 Ca 0.05 0.42 -0.25 0.00 0.48 0.00 0.00 55.95 56.65 1nfg s SER 17 Cb -0.16 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.38 1nfg s SER 17 CO -0.14 -0.10 0.95 -0.13 0.98 0.00 0.00 173.24 174.80 1nfg s ARG 18 N 0.50 3.49 0.26 4.02 0.52 -1.26 -0.86 118.95 125.61 1nfg s ARG 18 Ca -0.03 0.08 -0.18 0.00 -0.52 0.00 0.00 55.73 55.09 1nfg s ARG 18 Cb -0.05 -3.96 0.01 0.00 0.52 0.00 0.00 34.95 31.48 1nfg s ARG 18 CO -0.02 -1.31 0.60 0.00 0.02 0.00 0.00 175.30 174.59 1nfg s ALA 19 N 3.89 -0.82 0.12 2.13 0.00 -1.17 -5.00 121.76 120.91 1nfg s ALA 19 Ca 0.36 -0.50 0.03 0.00 0.00 0.00 0.00 51.96 51.86 1nfg s ALA 19 Cb -0.10 0.93 -0.04 0.00 0.00 0.00 0.00 23.12 23.91 1nfg s ALA 19 CO 0.25 -0.94 0.15 -0.51 0.00 0.00 0.00 175.76 174.71 1nfg s ASP 20 N -2.95 5.75 0.07 0.00 1.01 -1.26 -4.20 116.67 115.08 1nfg s ASP 20 Ca 0.15 0.00 0.05 0.00 0.71 0.00 0.00 52.55 53.46 1nfg s ASP 20 Cb -0.03 -1.59 -0.04 0.00 1.01 0.00 0.00 42.92 42.27 1nfg s ASP 20 CO 0.06 0.11 -0.05 -0.76 0.21 0.00 0.00 175.17 174.74 1nfg s LEU 21 N -2.82 3.25 -0.22 1.23 1.43 0.49 -1.00 118.68 121.03 1nfg s LEU 21 Ca 0.31 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.20 1nfg s LEU 21 Cb -0.11 -1.97 0.05 0.00 0.03 0.00 0.00 46.19 44.19 1nfg s LEU 21 CO 0.24 0.21 -0.08 -0.83 0.23 0.00 0.00 176.35 176.12 1nfg s GLY 22 N -2.00 1.31 -0.18 -3.19 0.00 0.14 -1.95 107.32 101.45 1nfg s GLY 22 Ca 0.22 -1.32 -0.07 0.00 0.00 0.00 0.00 44.72 43.55 1nfg s GLY 22 CO 0.14 0.78 0.06 -0.42 0.00 0.00 0.00 173.10 173.66 1nfg s ILE 23 N 1.37 4.80 -0.15 0.90 1.01 0.45 -0.27 121.20 129.32 1nfg s ILE 23 Ca -0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.54 1nfg s ILE 23 Cb -0.18 -3.16 0.07 0.00 0.01 0.00 0.00 42.46 39.20 1nfg s ILE 23 CO -0.07 0.47 0.16 -0.75 0.00 0.00 0.00 174.94 174.76 1nfg s LYS 24 N 0.26 0.09 -0.85 2.79 2.47 0.64 -1.24 119.74 123.90 1nfg s LYS 24 Ca 0.04 0.27 -0.01 0.00 -1.56 0.00 0.00 55.97 54.71 1nfg s LYS 24 Cb -0.12 -1.01 -0.01 0.00 -1.46 0.00 0.00 37.83 35.23 1nfg s LYS 24 CO 0.00 -0.53 0.71 -0.25 0.16 0.00 0.00 175.35 175.45 1nfg n ASP 25 N 5.31 -2.58 0.00 1.43 8.00 -1.26 -3.08 116.55 124.38 1nfg n ASP 25 Ca -0.05 -0.46 0.00 0.00 0.71 0.00 0.00 54.79 54.99 1nfg n ASP 25 Cb 0.50 -3.86 0.00 0.00 -0.02 0.00 0.00 41.12 37.74 1nfg n ASP 25 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nfg n GLY 26 N -1.13 0.53 3.35 0.44 0.00 -1.24 -4.98 105.19 102.16 1nfg n GLY 26 Ca -0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 1nfg n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfg s LYS 27 N -0.49 1.35 -0.36 1.61 1.02 -1.18 0.21 119.74 121.90 1nfg s LYS 27 Ca 0.00 -1.57 -0.24 0.00 0.02 0.00 0.00 55.97 54.19 1nfg s LYS 27 Cb 0.00 -1.23 0.01 0.00 -0.52 0.00 0.00 37.83 36.09 1nfg s LYS 27 CO 0.00 0.22 0.81 0.42 -0.92 0.00 0.00 175.35 175.88 1nfg s ILE 28 N -2.72 4.71 -0.12 2.17 1.01 -0.63 -0.26 121.20 125.35 1nfg s ILE 28 Ca 0.22 0.95 0.19 0.00 0.00 0.00 0.00 60.65 62.00 1nfg s ILE 28 Cb -0.02 -4.23 -0.28 0.00 0.01 0.00 0.00 42.46 37.94 1nfg s ILE 28 CO 0.08 -0.45 0.24 0.35 0.00 0.00 0.00 174.94 175.15 1nfg n THR 29 N 5.81 0.76 -3.72 2.92 -2.24 0.63 -0.96 114.28 117.49 1nfg n THR 29 Ca 0.04 -0.68 -0.13 0.00 -2.27 0.00 0.00 64.05 61.01 1nfg n THR 29 Cb 0.48 -0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.35 1nfg n THR 29 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1nfg s GLN 30 N -2.89 0.50 -0.10 -0.78 0.74 -1.05 -4.91 119.66 111.16 1nfg s GLN 30 Ca -0.09 0.61 0.01 0.00 0.05 0.00 0.00 55.36 55.94 1nfg s GLN 30 Cb 0.09 0.23 0.02 0.00 1.10 0.00 0.00 33.01 34.45 1nfg s GLN 30 CO 0.83 -0.07 -0.11 0.42 -0.55 0.00 0.00 175.29 175.81 1nfg s ILE 31 N 0.29 1.23 0.10 -2.34 1.01 -1.26 0.23 121.20 120.46 1nfg s ILE 31 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1nfg s ILE 31 Cb -0.03 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.26 1nfg s ILE 31 CO -0.00 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1nfg n GLY 32 N 4.45 -2.43 5.20 6.18 0.00 -0.17 -4.97 105.19 113.46 1nfg n GLY 32 Ca -0.17 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1nfg n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfg n GLY 33 N -2.60 -1.71 3.59 -0.02 0.00 -1.26 -4.76 105.19 98.42 1nfg n GLY 33 Ca -0.01 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1nfg n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfg s ALA 34 N -1.26 3.36 -0.03 4.61 0.00 -1.26 -4.93 121.76 122.25 1nfg s ALA 34 Ca 0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 51.96 51.34 1nfg s ALA 34 Cb 0.00 -3.55 -0.28 0.00 0.00 0.00 0.00 23.12 19.29 1nfg s ALA 34 CO 0.00 -1.73 0.75 -0.07 0.00 0.00 0.00 175.76 174.71 1nfg h LEU 35 N 10.18 0.43 0.00 0.00 3.38 -1.99 -3.51 115.31 123.80 1nfg h LEU 35 Ca -0.24 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.08 1nfg h LEU 35 Cb 1.08 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1nfg h LEU 35 CO 0.99 1.55 0.00 0.61 0.09 0.00 0.00 178.44 181.68 1nfg n GLY 36 N 1.74 -1.76 3.82 0.83 0.00 -1.26 -4.94 105.19 103.62 1nfg n GLY 36 Ca -0.20 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 1nfg n GLY 36 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1nfg s PRO 37 N 0.00 3.52 -0.20 1.61 0.02 -1.26 -5.07 135.00 133.61 1nfg s PRO 37 Ca 0.00 1.11 -0.16 0.00 0.02 0.00 0.00 61.00 61.97 1nfg s PRO 37 Cb 0.00 -2.07 0.06 0.00 0.02 0.00 0.00 34.50 32.51 1nfg s PRO 37 CO 0.00 -0.64 0.53 0.00 -0.33 0.00 0.00 177.00 176.56 1nfg s ALA 38 N -2.54 -1.34 0.22 -1.55 0.00 -1.26 -3.92 121.76 111.38 1nfg s ALA 38 Ca 0.62 1.63 -0.16 0.00 0.00 0.00 0.00 51.96 54.05 1nfg s ALA 38 Cb -0.14 -0.96 0.24 0.00 0.00 0.00 0.00 23.12 22.26 1nfg s ALA 38 CO 0.36 -0.27 1.57 0.93 0.00 0.00 0.00 175.76 178.35 1nfg h GLU 39 N 5.91 -0.05 -4.87 0.00 4.39 -1.37 -3.41 114.58 115.19 1nfg h GLU 39 Ca -0.30 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.09 1nfg h GLU 39 Cb 1.18 0.01 -0.20 0.00 -0.10 0.00 0.00 28.75 29.64 1nfg h GLU 39 CO 0.19 -0.03 -0.74 0.50 -1.16 0.00 0.00 179.01 177.77 1nfg s ARG 40 N -6.05 0.70 -0.05 2.33 3.52 -0.97 -5.05 118.95 113.39 1nfg s ARG 40 Ca -0.14 -0.95 0.02 0.00 -0.13 0.00 0.00 55.73 54.53 1nfg s ARG 40 Cb 0.20 -0.48 0.02 0.00 -1.56 0.00 0.00 34.95 33.12 1nfg s ARG 40 CO 0.72 0.09 -0.09 0.99 -0.81 0.00 0.00 175.30 176.20 1nfg s THR 41 N -1.77 0.90 -0.10 4.11 2.01 -1.26 -1.99 115.64 117.54 1nfg s THR 41 Ca -0.03 -0.35 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 1nfg s THR 41 Cb -0.07 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 1nfg s THR 41 CO 0.00 0.30 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.54 1nfg s ILE 42 N 0.71 3.65 -0.56 1.82 1.01 0.80 -4.96 121.20 123.67 1nfg s ILE 42 Ca -0.13 -0.47 -0.18 0.00 0.00 0.00 0.00 60.65 59.87 1nfg s ILE 42 Cb -0.15 -2.53 0.10 0.00 0.01 0.00 0.00 42.46 39.89 1nfg s ILE 42 CO 0.02 0.55 0.65 -0.62 0.00 0.00 0.00 174.94 175.54 1nfg s ASP 43 N -0.26 6.19 -0.15 3.58 -1.08 -1.26 -1.30 116.67 122.38 1nfg s ASP 43 Ca 0.04 -1.39 0.07 0.00 -0.52 0.00 0.00 52.55 50.75 1nfg s ASP 43 Cb -0.13 -2.28 0.43 0.00 -1.46 0.00 0.00 42.92 39.48 1nfg s ASP 43 CO 0.03 -1.02 1.23 0.00 0.52 0.00 0.00 175.17 175.93 1nfg n ALA 44 N 6.10 3.42 -1.60 3.66 0.00 0.65 -4.97 120.51 127.77 1nfg n ALA 44 Ca -0.10 -1.13 -0.49 0.00 0.00 0.00 0.00 53.44 51.72 1nfg n ALA 44 Cb 0.43 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.73 1nfg n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nfg n ALA 45 N 0.21 -0.33 -1.21 0.00 0.00 -1.17 -0.62 120.51 117.38 1nfg n ALA 45 Ca 0.18 0.47 -0.07 0.00 0.00 0.00 0.00 53.44 54.01 1nfg n ALA 45 Cb 0.83 -2.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 1nfg n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nfg n GLY 46 N 2.27 0.83 3.30 0.00 0.00 -1.25 -4.98 105.19 105.36 1nfg n GLY 46 Ca 0.15 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 1nfg n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nfg s ARG 47 N -2.32 1.19 0.14 1.61 0.52 0.20 -4.57 118.95 115.73 1nfg s ARG 47 Ca 0.00 -1.46 -0.11 0.00 -0.52 0.00 0.00 55.73 53.65 1nfg s ARG 47 Cb 0.00 -0.97 -0.06 0.00 0.52 0.00 0.00 34.95 34.43 1nfg s ARG 47 CO 0.00 0.17 0.48 0.71 0.02 0.00 0.00 175.30 176.67 1nfg s TYR 48 N -2.77 3.54 -0.59 -0.53 2.02 0.67 -1.89 117.35 117.80 1nfg s TYR 48 Ca 0.17 0.87 -0.03 0.00 -0.37 0.00 0.00 57.07 57.71 1nfg s TYR 48 Cb -0.01 -2.23 0.15 0.00 -0.40 0.00 0.00 41.96 39.47 1nfg s TYR 48 CO 0.04 0.43 0.40 0.08 -1.57 0.00 0.00 175.55 174.94 1nfg s VAL 49 N -1.54 3.70 0.27 0.71 1.01 0.04 -0.64 120.40 123.95 1nfg s VAL 49 Ca 0.38 -2.76 -0.01 0.00 0.00 0.00 0.00 61.98 59.59 1nfg s VAL 49 Cb -0.13 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1nfg s VAL 49 CO 0.20 -0.85 0.49 -0.36 0.00 0.00 0.00 175.10 174.58 1nfg s PHE 50 N 0.19 3.49 0.67 5.22 0.08 -0.26 -2.09 117.98 125.27 1nfg s PHE 50 Ca 0.15 0.43 -0.14 0.00 0.12 0.00 0.00 56.93 57.48 1nfg s PHE 50 Cb -0.21 -1.93 0.00 0.00 -0.57 0.00 0.00 43.02 40.31 1nfg s PHE 50 CO -0.04 0.24 1.10 -2.14 -0.10 0.00 0.00 175.22 174.29 1nfg s PRO 51 N -3.70 2.77 0.37 0.24 0.02 -1.26 -1.41 135.00 132.03 1nfg s PRO 51 Ca 0.40 1.35 -0.27 0.00 0.02 0.00 0.00 61.00 62.50 1nfg s PRO 51 Cb -0.10 -1.95 -0.10 0.00 0.02 0.00 0.00 34.50 32.37 1nfg s PRO 51 CO 0.31 -1.27 1.32 0.20 -0.33 0.00 0.00 177.00 177.23 1nfg s GLY 52 N -2.69 2.96 0.61 0.52 0.00 -0.33 -4.48 107.32 103.90 1nfg s GLY 52 Ca 0.66 1.27 -0.19 0.00 0.00 0.00 0.00 44.72 46.46 1nfg s GLY 52 CO 0.43 1.89 1.23 0.61 0.00 0.00 0.00 173.10 177.26 1nfg n GLY 53 N 0.70 0.39 2.76 0.20 0.00 0.42 -4.62 105.19 105.04 1nfg n GLY 53 Ca 0.02 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1nfg n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nfg s ILE 54 N -1.39 0.78 -0.55 -0.61 1.01 -0.67 -1.05 121.20 118.71 1nfg s ILE 54 Ca 0.78 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 60.31 1nfg s ILE 54 Cb -0.40 -1.37 0.13 0.00 0.01 0.00 0.00 42.46 40.83 1nfg s ILE 54 CO 0.44 -0.38 0.54 -0.62 0.00 0.00 0.00 174.94 174.92 1nfg s ASP 55 N 1.71 6.20 -0.03 3.58 -1.08 -0.82 -4.65 116.67 121.59 1nfg s ASP 55 Ca 0.02 -1.77 0.03 0.00 -0.52 0.00 0.00 52.55 50.32 1nfg s ASP 55 Cb -0.17 -2.22 0.14 0.00 -1.46 0.00 0.00 42.92 39.20 1nfg s ASP 55 CO -0.15 -0.89 0.86 1.33 0.52 0.00 0.00 175.17 176.85 1nfg n VAL 56 N 5.26 0.38 -3.29 1.11 0.24 -1.26 -1.75 118.33 119.01 1nfg n VAL 56 Ca -0.13 -0.23 -0.23 0.00 -2.04 0.00 0.00 64.34 61.72 1nfg n VAL 56 Cb 0.41 -0.26 -0.08 0.00 -1.47 0.00 0.00 33.84 32.43 1nfg n VAL 56 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1nfg s HIS 57 N -1.50 0.52 0.12 6.34 5.65 -1.25 -4.72 115.29 120.45 1nfg s HIS 57 Ca 0.09 -1.89 0.05 0.00 0.25 0.00 0.00 55.06 53.57 1nfg s HIS 57 Cb 0.06 -0.68 -0.04 0.00 -1.18 0.00 0.00 32.58 30.75 1nfg s HIS 57 CO 0.04 -0.91 -0.13 0.95 -0.65 0.00 0.00 174.74 174.03 1nfg s THR 58 N 0.36 1.26 -0.45 0.89 -4.23 -1.22 0.55 115.64 112.80 1nfg s THR 58 Ca 0.30 -1.70 0.09 0.00 -1.18 0.00 0.00 61.69 59.20 1nfg s THR 58 Cb -0.00 -1.50 0.33 0.00 1.34 0.00 0.00 72.50 72.67 1nfg s THR 58 CO -0.15 -0.44 0.78 1.41 -0.54 0.00 0.00 174.62 175.68 1nfg n HIS 59 N 0.54 1.54 -0.26 3.99 8.25 -0.62 -1.99 115.22 126.66 1nfg n HIS 59 Ca -0.16 -3.87 0.06 0.00 -0.26 0.00 0.00 57.72 53.50 1nfg n HIS 59 Cb 0.57 -0.44 0.19 0.00 1.12 0.00 0.00 29.99 31.43 1nfg n HIS 59 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1nfg h VAL 60 N 1.82 0.47 -3.25 1.59 2.07 -1.94 -3.40 116.25 113.61 1nfg h VAL 60 Ca 0.11 -0.09 -0.44 0.00 0.82 0.00 0.00 66.70 67.10 1nfg h VAL 60 Cb 0.80 0.20 -0.38 0.00 -1.52 0.00 0.00 31.29 30.39 1nfg h VAL 60 CO 0.61 0.05 -0.77 -0.70 0.02 0.00 0.00 177.57 176.78 1nfg s GLU 61 N -6.04 0.61 0.05 1.57 2.12 -1.26 -3.71 118.70 112.04 1nfg s GLU 61 Ca -0.13 0.07 -0.01 0.00 0.36 0.00 0.00 54.97 55.27 1nfg s GLU 61 Cb 0.22 -1.05 -0.04 0.00 0.26 0.00 0.00 34.13 33.52 1nfg s GLU 61 CO 0.76 -0.33 -0.03 0.99 -0.54 0.00 0.00 175.26 176.11 1nfg s THR 62 N 1.97 0.20 -0.25 -1.70 2.01 -1.26 -5.01 115.64 111.60 1nfg s THR 62 Ca 0.05 -1.65 -0.01 0.00 0.31 0.00 0.00 61.69 60.39 1nfg s THR 62 Cb -0.13 -1.30 0.07 0.00 0.01 0.00 0.00 72.50 71.16 1nfg s THR 62 CO -0.05 -0.91 0.02 -0.69 -0.69 0.00 0.00 174.62 172.30 1nfg s VAL 63 N -3.48 1.09 -0.24 3.82 1.01 -1.26 -0.29 120.40 121.04 1nfg s VAL 63 Ca 0.03 -1.15 -0.01 0.00 0.00 0.00 0.00 61.98 60.85 1nfg s VAL 63 Cb 0.05 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.86 1nfg s VAL 63 CO -0.08 -0.33 -0.08 -0.55 0.00 0.00 0.00 175.10 174.05 1nfg s SER 64 N 1.56 4.19 -0.94 3.32 0.15 0.10 -4.75 113.70 117.34 1nfg s SER 64 Ca 0.01 -0.89 -0.04 0.00 0.70 0.00 0.00 55.95 55.73 1nfg s SER 64 Cb -0.18 -1.63 -0.04 0.00 -1.71 0.00 0.00 66.02 62.46 1nfg s SER 64 CO -0.12 -0.12 0.83 0.33 1.20 0.00 0.00 173.24 175.36 1nfg n PHE 65 N 4.64 -2.64 0.00 3.44 7.35 -1.26 -2.97 117.46 126.02 1nfg n PHE 65 Ca -0.17 0.95 0.00 0.00 -0.76 0.00 0.00 57.45 57.47 1nfg n PHE 65 Cb 0.47 -4.09 0.00 0.00 0.35 0.00 0.00 39.48 36.20 1nfg n PHE 65 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1nfg n ASN 66 N -2.67 0.00 -4.90 -2.13 5.15 -1.26 -4.92 115.26 104.54 1nfg n ASN 66 Ca -0.05 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.63 1nfg n ASN 66 Cb 0.58 -0.32 -0.04 0.00 -0.53 0.00 0.00 39.78 39.47 1nfg n ASN 66 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1nfg s THR 67 N -0.16 5.05 0.17 -0.44 -1.32 -1.16 -5.09 115.64 112.69 1nfg s THR 67 Ca 0.00 0.14 0.05 0.00 -1.21 0.00 0.00 61.69 60.66 1nfg s THR 67 Cb 0.00 -3.67 -0.04 0.00 -1.51 0.00 0.00 72.50 67.28 1nfg s THR 67 CO 0.00 -0.15 0.17 -1.10 -2.21 0.00 0.00 174.62 171.33 1nfg s GLN 68 N -3.10 3.00 0.50 7.08 -0.21 -1.26 -0.72 119.66 124.95 1nfg s GLN 68 Ca 0.44 -0.83 -0.21 0.00 0.02 0.00 0.00 55.36 54.78 1nfg s GLN 68 Cb -0.11 -2.70 -0.07 0.00 1.00 0.00 0.00 33.01 31.13 1nfg s GLN 68 CO 0.26 0.49 1.10 -1.54 -2.12 0.00 0.00 175.29 173.47 1nfg s SER 69 N -3.17 6.11 0.22 5.90 1.04 0.60 -4.94 113.70 119.46 1nfg s SER 69 Ca 0.32 2.10 -0.08 0.00 0.48 0.00 0.00 55.95 58.77 1nfg s SER 69 Cb -0.10 -2.58 0.23 0.00 0.10 0.00 0.00 66.02 63.67 1nfg s SER 69 CO 0.24 -0.95 1.87 0.00 0.98 0.00 0.00 173.24 175.39 1nfg h ALA 70 N 1.59 1.06 -2.34 5.32 0.00 -1.36 -3.43 119.26 120.10 1nfg h ALA 70 Ca -0.50 -0.04 -0.50 0.00 0.00 0.00 0.00 54.91 53.88 1nfg h ALA 70 Cb 1.24 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1nfg h ALA 70 CO 0.59 0.36 0.07 -0.51 0.00 0.00 0.00 179.25 179.75 1nfg s ASP 71 N -5.86 6.55 0.44 0.00 1.01 -1.26 -4.75 116.67 112.80 1nfg s ASP 71 Ca -0.13 1.09 0.04 0.00 0.71 0.00 0.00 52.55 54.26 1nfg s ASP 71 Cb 0.16 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 1nfg s ASP 71 CO 0.79 -0.33 0.03 0.42 0.21 0.00 0.00 175.17 176.29 1nfg s THR 72 N -2.25 1.36 0.52 -1.27 -4.23 -1.24 -4.45 115.64 104.08 1nfg s THR 72 Ca 0.50 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.22 1nfg s THR 72 Cb -0.10 -2.54 0.33 0.00 1.34 0.00 0.00 72.50 71.53 1nfg s THR 72 CO 0.29 0.00 2.07 0.15 -0.54 0.00 0.00 174.62 176.58 1nfg h PHE 73 N 1.64 0.02 0.00 3.99 3.04 -1.83 -1.42 116.94 122.39 1nfg h PHE 73 Ca -0.42 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.52 1nfg h PHE 73 Cb 1.28 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.78 1nfg h PHE 73 CO 1.14 0.01 -0.02 0.00 -2.02 0.00 0.00 178.31 177.43 1nfg h ALA 74 N 1.86 -0.00 -0.30 2.41 0.00 -1.86 -2.92 119.26 118.45 1nfg h ALA 74 Ca 0.13 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1nfg h ALA 74 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1nfg h ALA 74 CO -0.00 -0.04 -0.10 1.79 0.00 0.00 0.00 179.25 180.89 1nfg h THR 75 N -0.88 1.22 0.08 0.00 1.35 -1.82 -2.78 112.91 110.08 1nfg h THR 75 Ca -0.00 -0.96 -0.00 0.00 -0.55 0.00 0.00 66.41 64.89 1nfg h THR 75 Cb 0.91 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1nfg h THR 75 CO 0.00 0.32 -0.04 0.00 -0.25 0.00 0.00 175.52 175.55 1nfg h ALA 76 N 1.44 -0.10 -0.35 6.62 0.00 -1.39 -2.97 119.26 122.51 1nfg h ALA 76 Ca 0.09 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1nfg h ALA 76 Cb 0.46 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1nfg h ALA 76 CO 0.03 -0.23 0.24 1.79 0.00 0.00 0.00 179.25 181.08 1nfg h THR 77 N -0.75 0.88 -0.31 0.00 1.35 -1.55 0.27 112.91 112.80 1nfg h THR 77 Ca -0.01 -0.04 -0.10 0.00 -0.55 0.00 0.00 66.41 65.72 1nfg h THR 77 Cb 0.59 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 1nfg h THR 77 CO 0.02 0.02 -0.18 0.58 -0.25 0.00 0.00 175.52 175.71 1nfg h VAL 78 N 0.11 1.29 -0.70 6.82 2.07 -1.53 -1.47 116.25 122.84 1nfg h VAL 78 Ca 0.16 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.32 1nfg h VAL 78 Cb 0.50 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1nfg h VAL 78 CO -0.02 0.42 0.23 0.00 0.02 0.00 0.00 177.57 178.22 1nfg h ALA 79 N 0.75 0.91 -0.32 1.67 0.00 -0.87 -1.86 119.26 119.55 1nfg h ALA 79 Ca 0.07 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1nfg h ALA 79 Cb 0.72 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1nfg h ALA 79 CO 0.05 0.58 0.05 0.00 0.00 0.00 0.00 179.25 179.94 1nfg h ALA 80 N 1.11 0.32 -0.34 0.00 0.00 -0.36 -1.18 119.26 118.80 1nfg h ALA 80 Ca 0.23 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1nfg h ALA 80 Cb 0.28 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1nfg h ALA 80 CO -0.01 -0.36 0.21 0.00 0.00 0.00 0.00 179.25 179.10 1nfg h ALA 81 N 1.24 0.43 0.00 0.00 0.00 -0.92 0.07 119.26 120.08 1nfg h ALA 81 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1nfg h ALA 81 Cb 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1nfg h ALA 81 CO -0.20 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 178.92 1nfg n GLY 83 N -0.78 1.47 0.99 0.00 0.00 -0.17 -4.82 105.19 101.89 1nfg n GLY 83 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1nfg n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfg n GLY 84 N 1.46 0.76 3.51 -0.02 0.00 -0.29 -4.47 105.19 106.13 1nfg n GLY 84 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1nfg n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nfg s THR 85 N -2.05 4.64 -0.46 2.61 2.01 -0.17 -0.44 115.64 121.78 1nfg s THR 85 Ca 0.00 -0.06 0.17 0.00 0.31 0.00 0.00 61.69 62.11 1nfg s THR 85 Cb 0.00 -3.17 -0.22 0.00 0.01 0.00 0.00 72.50 69.12 1nfg s THR 85 CO 0.00 0.33 0.57 0.35 -0.69 0.00 0.00 174.62 175.18 1nfg n THR 86 N 4.75 0.00 -4.17 -0.82 -2.24 -0.21 -3.14 114.28 108.45 1nfg n THR 86 Ca -0.16 -0.23 -0.17 0.00 -2.27 0.00 0.00 64.05 61.22 1nfg n THR 86 Cb 0.52 0.61 -0.12 0.00 -2.10 0.00 0.00 70.33 69.23 1nfg n THR 86 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1nfg s THR 87 N -2.86 0.88 0.00 4.28 2.01 -0.98 -2.27 115.64 116.71 1nfg s THR 87 Ca 0.01 -1.11 -0.08 0.00 0.31 0.00 0.00 61.69 60.82 1nfg s THR 87 Cb 0.12 -0.86 0.00 0.00 0.01 0.00 0.00 72.50 71.77 1nfg s THR 87 CO 0.70 -0.21 0.15 -0.51 -0.69 0.00 0.00 174.62 174.06 1nfg s ILE 88 N -1.16 0.09 -0.32 1.82 2.07 -0.84 -1.95 121.20 120.90 1nfg s ILE 88 Ca -0.04 -0.70 0.01 0.00 -1.41 0.00 0.00 60.65 58.51 1nfg s ILE 88 Cb -0.09 -0.48 0.10 0.00 0.13 0.00 0.00 42.46 42.12 1nfg s ILE 88 CO 0.01 -0.39 0.08 -0.69 -1.91 0.00 0.00 174.94 172.04 1nfg s VAL 89 N -1.48 1.39 0.49 4.00 1.01 -0.72 -0.53 120.40 124.56 1nfg s VAL 89 Ca -0.14 -1.72 -0.12 0.00 0.00 0.00 0.00 61.98 60.00 1nfg s VAL 89 Cb -0.07 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 34.22 1nfg s VAL 89 CO 0.01 -0.63 0.89 -0.62 0.00 0.00 0.00 175.10 174.76 1nfg s ASP 90 N 1.36 6.47 -0.57 3.32 2.15 -0.87 -3.46 116.67 125.07 1nfg s ASP 90 Ca 0.10 1.30 -0.21 0.00 0.43 0.00 0.00 52.55 54.17 1nfg s ASP 90 Cb -0.18 -2.40 0.07 0.00 -0.30 0.00 0.00 42.92 40.10 1nfg s ASP 90 CO -0.18 -0.57 0.81 -0.36 -0.17 0.00 0.00 175.17 174.70 1nfg s PHE 91 N -2.65 2.87 -0.24 -5.34 0.08 -0.84 -0.75 117.98 111.10 1nfg s PHE 91 Ca 0.54 -0.49 -0.29 0.00 0.12 0.00 0.00 56.93 56.81 1nfg s PHE 91 Cb -0.10 -3.96 -0.01 0.00 -0.57 0.00 0.00 43.02 38.37 1nfg s PHE 91 CO 0.37 -1.33 1.42 0.00 -0.10 0.00 0.00 175.22 175.58 1nfg s GLN 93 N 4.25 4.07 0.59 0.00 0.74 -1.26 -0.67 119.66 127.38 1nfg s GLN 93 Ca 0.62 -0.10 -0.17 0.00 0.05 0.00 0.00 55.36 55.75 1nfg s GLN 93 Cb -0.21 -3.57 -0.04 0.00 1.10 0.00 0.00 33.01 30.29 1nfg s GLN 93 CO 0.24 -0.05 1.11 -1.14 -0.55 0.00 0.00 175.29 174.90 1nfg s GLN 94 N 1.37 3.18 -0.13 1.67 0.74 -1.16 -4.87 119.66 120.45 1nfg s GLN 94 Ca 0.12 1.47 -0.04 0.00 0.05 0.00 0.00 55.36 56.96 1nfg s GLN 94 Cb -0.14 -1.99 -0.03 0.00 1.10 0.00 0.00 33.01 31.94 1nfg s GLN 94 CO 0.07 -0.97 0.02 -0.51 -0.55 0.00 0.00 175.29 173.36 1nfg s ASP 95 N -2.18 5.38 0.14 6.67 1.01 -1.26 -4.83 116.67 121.60 1nfg s ASP 95 Ca 0.69 0.11 -0.34 0.00 0.71 0.00 0.00 52.55 53.72 1nfg s ASP 95 Cb -0.21 -1.72 -0.15 0.00 1.01 0.00 0.00 42.92 41.85 1nfg s ASP 95 CO 0.33 0.29 1.50 -1.14 0.21 0.00 0.00 175.17 176.36 1nfg n ARG 96 N 2.75 1.86 -0.11 8.23 0.63 -1.26 -0.94 116.66 127.82 1nfg n ARG 96 Ca -0.18 0.67 0.00 0.00 -0.92 0.00 0.00 57.85 57.42 1nfg n ARG 96 Cb 0.53 -2.40 0.00 0.00 0.45 0.00 0.00 32.46 31.05 1nfg n ARG 96 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1nfg n GLY 97 N 3.09 1.47 3.71 5.14 0.00 -1.26 -5.03 105.19 112.30 1nfg n GLY 97 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1nfg n GLY 97 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nfg s HIS 98 N -2.66 2.65 0.80 1.61 3.76 -0.11 -5.14 115.29 116.20 1nfg s HIS 98 Ca 0.00 -0.42 -0.11 0.00 -0.15 0.00 0.00 55.06 54.38 1nfg s HIS 98 Cb 0.00 -1.65 0.10 0.00 1.11 0.00 0.00 32.58 32.14 1nfg s HIS 98 CO 0.00 0.35 1.15 -1.54 -0.85 0.00 0.00 174.74 173.85 1nfg s SER 99 N -3.82 4.34 0.03 1.40 1.04 -1.26 -4.67 113.70 110.76 1nfg s SER 99 Ca 0.37 0.56 -0.19 0.00 0.48 0.00 0.00 55.95 57.17 1nfg s SER 99 Cb -0.01 -1.01 -0.19 0.00 0.10 0.00 0.00 66.02 64.91 1nfg s SER 99 CO 0.22 -1.96 1.21 -0.07 0.98 0.00 0.00 173.24 173.61 1nfg h LEU 100 N -1.01 0.53 -0.41 2.42 3.38 -1.96 -2.80 115.31 115.45 1nfg h LEU 100 Ca -0.45 -0.65 0.08 0.00 0.09 0.00 0.00 57.88 56.95 1nfg h LEU 100 Cb 1.31 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.83 1nfg h LEU 100 CO 0.59 1.09 -0.01 0.00 0.09 0.00 0.00 178.44 180.20 1nfg h ALA 101 N 0.45 0.37 -0.96 1.53 0.00 -1.97 0.30 119.26 118.98 1nfg h ALA 101 Ca -0.03 0.12 0.19 0.00 0.00 0.00 0.00 54.91 55.19 1nfg h ALA 101 Cb 1.08 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.99 1nfg h ALA 101 CO 0.09 -0.40 0.61 0.93 0.00 0.00 0.00 179.25 180.48 1nfg h GLU 102 N 0.10 0.62 -0.15 0.00 5.08 -1.93 0.56 114.58 118.86 1nfg h GLU 102 Ca 0.20 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 1nfg h GLU 102 Cb 0.29 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1nfg h GLU 102 CO -0.34 0.41 -0.14 0.00 -1.00 0.00 0.00 179.01 177.94 1nfg h ALA 103 N 1.62 0.22 -0.26 3.43 0.00 -0.26 -1.77 119.26 122.23 1nfg h ALA 103 Ca 0.52 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1nfg h ALA 103 Cb 0.96 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1nfg h ALA 103 CO -0.28 0.10 0.16 0.28 0.00 0.00 0.00 179.25 179.52 1nfg h VAL 104 N -0.01 1.08 -0.73 0.00 2.07 0.33 -0.29 116.25 118.70 1nfg h VAL 104 Ca 0.02 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 67.45 1nfg h VAL 104 Cb 0.67 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 1nfg h VAL 104 CO 0.04 0.08 0.40 0.00 0.02 0.00 0.00 177.57 178.10 1nfg h ALA 105 N 1.07 1.01 -0.89 1.67 0.00 -0.94 0.20 119.26 121.39 1nfg h ALA 105 Ca 0.09 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1nfg h ALA 105 Cb -0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1nfg h ALA 105 CO -0.02 0.03 0.47 -0.22 0.00 0.00 0.00 179.25 179.52 1nfg h LYS 106 N 0.69 1.24 -0.15 0.00 3.64 -0.69 -1.56 116.57 119.74 1nfg h LYS 106 Ca 0.35 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.55 1nfg h LYS 106 Cb 0.30 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1nfg h LYS 106 CO -0.23 0.92 -0.01 -1.49 -2.27 0.00 0.00 179.45 176.37 1nfg h TRP 107 N 1.25 0.30 -0.99 1.91 6.55 0.46 -2.45 115.95 122.98 1nfg h TRP 107 Ca 0.31 -0.05 0.17 0.00 0.95 0.00 0.00 58.89 60.26 1nfg h TRP 107 Cb 0.05 -0.08 -0.09 0.00 -0.86 0.00 0.00 29.16 28.18 1nfg h TRP 107 CO 0.01 0.51 0.62 -0.44 -1.05 0.00 0.00 178.44 178.08 1nfg h ASP 108 N 0.01 0.79 -0.98 -3.49 3.32 -0.39 0.31 116.42 115.99 1nfg h ASP 108 Ca 0.04 0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.20 1nfg h ASP 108 Cb 0.39 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.81 1nfg h ASP 108 CO 0.01 0.34 0.64 1.23 -1.72 0.00 0.00 179.24 179.74 1nfg h GLY 109 N 0.80 1.43 1.35 2.75 0.00 -0.84 0.21 103.07 108.79 1nfg h GLY 109 Ca 0.54 -0.49 -0.25 0.00 0.00 0.00 0.00 47.33 47.12 1nfg h GLY 109 CO -0.31 0.43 -1.02 -0.33 0.00 0.00 0.00 176.54 175.31 1nfg h MET 110 N 1.25 0.58 0.00 4.80 2.86 -0.15 -3.39 114.93 120.88 1nfg h MET 110 Ca 0.39 -0.63 -0.09 0.00 -2.06 0.00 0.00 59.70 57.31 1nfg h MET 110 Cb -0.01 0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 1nfg h MET 110 CO -0.12 1.24 -0.58 0.00 1.06 0.00 0.00 176.91 178.51 1nfg h ALA 111 N 0.54 0.10 -0.86 6.32 0.00 -0.53 -3.43 119.26 121.40 1nfg h ALA 111 Ca -0.11 -0.72 -0.74 0.00 0.00 0.00 0.00 54.91 53.34 1nfg h ALA 111 Cb 1.66 0.37 0.01 0.00 0.00 0.00 0.00 17.79 19.84 1nfg h ALA 111 CO 0.19 0.36 0.49 0.41 0.00 0.00 0.00 179.25 180.70 1nfg n GLY 112 N 1.56 0.09 2.69 0.00 0.00 0.72 0.12 105.19 110.37 1nfg n GLY 112 Ca -0.17 0.83 -0.11 0.00 0.00 0.00 0.00 46.02 46.57 1nfg n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfg n GLY 113 N 3.04 1.06 0.00 -0.02 0.00 -1.26 -4.77 105.19 103.24 1nfg n GLY 113 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1nfg n GLY 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nfg n LYS 114 N -1.19 3.19 -2.90 1.61 5.02 0.12 -4.01 118.16 120.00 1nfg n LYS 114 Ca -0.11 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.77 1nfg n LYS 114 Cb 0.54 -0.27 -0.04 0.00 -0.02 0.00 0.00 35.03 35.24 1nfg n LYS 114 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1nfg s SER 115 N -0.49 6.96 0.43 4.39 0.01 -0.78 -3.85 113.70 120.36 1nfg s SER 115 Ca 0.00 1.18 0.20 0.00 1.31 0.00 0.00 55.95 58.64 1nfg s SER 115 Cb 0.00 -2.45 0.95 0.00 0.21 0.00 0.00 66.02 64.73 1nfg s SER 115 CO 0.00 -0.38 1.88 0.00 0.41 0.00 0.00 173.24 175.15 1nfg h ALA 116 N 7.30 1.21 -2.10 1.44 0.00 -1.80 0.60 119.26 125.90 1nfg h ALA 116 Ca -0.30 -0.25 -0.44 0.00 0.00 0.00 0.00 54.91 53.91 1nfg h ALA 116 Cb 1.14 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 1nfg h ALA 116 CO 0.83 0.35 -0.62 0.96 0.00 0.00 0.00 179.25 180.78 1nfg s ILE 117 N -3.98 1.09 0.70 0.00 -4.36 -1.26 -3.71 121.20 109.68 1nfg s ILE 117 Ca -0.02 -2.01 -0.14 0.00 -0.26 0.00 0.00 60.65 58.22 1nfg s ILE 117 Cb 0.13 -2.72 0.02 0.00 1.25 0.00 0.00 42.46 41.13 1nfg s ILE 117 CO 0.66 -0.04 1.14 -1.81 0.24 0.00 0.00 174.94 175.13 1nfg s ASP 118 N -3.44 4.71 0.00 4.36 1.11 -0.96 -4.11 116.67 118.33 1nfg s ASP 118 Ca 0.36 2.09 -0.21 0.00 0.18 0.00 0.00 52.55 54.97 1nfg s ASP 118 Cb 0.08 -2.56 0.04 0.00 1.07 0.00 0.00 42.92 41.56 1nfg s ASP 118 CO 0.15 -1.91 0.46 -0.72 1.18 0.00 0.00 175.17 174.34 1nfg s TYR 119 N -2.31 -0.36 0.42 4.23 -0.85 -0.51 -1.99 117.35 115.97 1nfg s TYR 119 Ca 0.68 0.51 0.03 0.00 -0.52 0.00 0.00 57.07 57.78 1nfg s TYR 119 Cb -0.23 0.25 -0.03 0.00 0.38 0.00 0.00 41.96 42.34 1nfg s TYR 119 CO 0.45 -0.53 0.10 0.20 -1.52 0.00 0.00 175.55 174.24 1nfg s GLY 120 N -1.57 2.65 0.05 5.49 0.00 0.31 -0.04 107.32 114.21 1nfg s GLY 120 Ca -0.09 -1.15 0.06 0.00 0.00 0.00 0.00 44.72 43.53 1nfg s GLY 120 CO 0.03 -1.90 -0.16 -0.19 0.00 0.00 0.00 173.10 170.88 1nfg s TYR 121 N -3.14 1.40 0.05 1.90 2.02 -1.26 -2.05 117.35 116.26 1nfg s TYR 121 Ca 0.21 -0.39 0.04 0.00 -0.37 0.00 0.00 57.07 56.57 1nfg s TYR 121 Cb 0.03 -0.81 -0.04 0.00 -0.40 0.00 0.00 41.96 40.74 1nfg s TYR 121 CO 0.12 0.07 -0.04 -1.01 -1.57 0.00 0.00 175.55 173.13 1nfg s HIS 122 N -0.97 2.92 -0.22 2.71 3.76 0.07 -4.57 115.29 118.99 1nfg s HIS 122 Ca 0.02 -0.04 -0.06 0.00 -0.15 0.00 0.00 55.06 54.84 1nfg s HIS 122 Cb -0.09 -1.57 -0.02 0.00 1.11 0.00 0.00 32.58 32.01 1nfg s HIS 122 CO 0.02 0.43 0.02 -1.50 -0.85 0.00 0.00 174.74 172.86 1nfg s ILE 123 N -1.14 3.96 -0.16 0.60 1.10 -0.55 0.03 121.20 125.04 1nfg s ILE 123 Ca 0.21 -0.30 -0.21 0.00 -0.51 0.00 0.00 60.65 59.84 1nfg s ILE 123 Cb -0.11 -2.82 -0.03 0.00 0.15 0.00 0.00 42.46 39.65 1nfg s ILE 123 CO 0.12 0.39 0.61 -0.63 -2.11 0.00 0.00 174.94 173.33 1nfg s ILE 124 N 1.36 5.06 -0.43 2.00 1.01 0.16 -4.40 121.20 125.95 1nfg s ILE 124 Ca 0.05 1.19 -0.08 0.00 0.00 0.00 0.00 60.65 61.81 1nfg s ILE 124 Cb -0.15 -3.94 0.09 0.00 0.01 0.00 0.00 42.46 38.48 1nfg s ILE 124 CO 0.01 0.18 0.26 -0.69 0.00 0.00 0.00 174.94 174.70 1nfg s VAL 125 N 1.46 4.02 -0.51 2.92 1.01 -1.26 -3.01 120.40 125.03 1nfg s VAL 125 Ca 0.30 -1.61 0.05 0.00 0.00 0.00 0.00 61.98 60.72 1nfg s VAL 125 Cb -0.16 -3.55 0.14 0.00 0.00 0.00 0.00 36.38 32.81 1nfg s VAL 125 CO 0.12 -0.59 1.06 0.00 0.00 0.00 0.00 175.10 175.68 1nfg n LEU 126 N 4.85 2.31 -3.08 3.92 -0.00 -1.26 -4.68 117.00 119.06 1nfg n LEU 126 Ca -0.08 -1.84 -0.19 0.00 -0.00 0.00 0.00 56.01 53.90 1nfg n LEU 126 Cb 0.42 -0.10 -0.04 0.00 -0.00 0.00 0.00 43.42 43.70 1nfg n LEU 126 CO 0.39 0.57 -0.14 -0.67 -0.00 0.00 0.00 177.39 177.54 1nfg n ASP 127 N 0.07 -1.05 -2.78 1.45 2.03 -1.26 -4.88 116.55 110.12 1nfg n ASP 127 Ca 0.06 -2.81 0.00 0.00 0.52 0.00 0.00 54.79 52.55 1nfg n ASP 127 Cb 0.31 0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1nfg n ASP 127 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1nfg n PRO 128 N 1.86 0.00 -1.84 -0.67 -0.04 -1.26 -4.81 135.00 128.24 1nfg n PRO 128 Ca 0.19 -0.19 -0.34 0.00 -0.04 0.00 0.00 63.50 63.13 1nfg n PRO 128 Cb 0.55 -1.59 0.04 0.00 -0.04 0.00 0.00 33.50 32.46 1nfg n PRO 128 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1nfg s THR 129 N 3.43 3.12 0.22 0.52 2.01 -1.26 -4.74 115.64 118.94 1nfg s THR 129 Ca 0.00 0.56 -0.09 0.00 0.31 0.00 0.00 61.69 62.48 1nfg s THR 129 Cb 0.00 -3.11 0.18 0.00 0.01 0.00 0.00 72.50 69.58 1nfg s THR 129 CO 0.00 -0.28 1.71 0.44 -0.69 0.00 0.00 174.62 175.80 1nfg h ASP 130 N 0.27 0.05 -0.29 3.53 5.19 -1.99 0.22 116.42 123.40 1nfg h ASP 130 Ca -0.48 0.11 -0.06 0.00 -0.62 0.00 0.00 57.03 55.99 1nfg h ASP 130 Cb 1.26 0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.90 1nfg h ASP 130 CO 0.54 0.02 -0.05 0.77 -3.12 0.00 0.00 179.24 177.40 1nfg h SER 131 N 0.29 0.54 -0.24 6.45 4.64 -1.97 -1.87 113.55 121.39 1nfg h SER 131 Ca 0.34 -0.35 0.05 0.00 -0.47 0.00 0.00 61.79 61.36 1nfg h SER 131 Cb 0.51 -0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.40 1nfg h SER 131 CO -0.41 0.76 -0.10 0.58 -0.87 0.00 0.00 176.83 176.79 1nfg h VAL 132 N 0.31 0.67 -0.32 0.95 2.07 -1.56 -0.38 116.25 117.99 1nfg h VAL 132 Ca 0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 1nfg h VAL 132 Cb 0.52 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1nfg h VAL 132 CO 0.02 0.00 0.13 0.40 0.02 0.00 0.00 177.57 178.14 1nfg h ILE 133 N -0.06 1.12 0.00 4.57 2.04 -0.56 0.16 117.51 124.77 1nfg h ILE 133 Ca 0.12 -0.38 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1nfg h ILE 133 Cb 0.25 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1nfg h ILE 133 CO -0.28 0.15 -0.02 -0.08 0.00 0.00 0.00 178.15 177.92 1nfg h GLU 134 N 0.44 0.00 0.00 2.37 4.57 -0.26 -2.39 114.58 119.32 1nfg h GLU 134 Ca 0.11 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.25 1nfg h GLU 134 Cb 0.09 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1nfg h GLU 134 CO -0.01 0.02 -0.18 0.93 -1.18 0.00 0.00 179.01 178.58 1nfg h GLU 135 N 0.00 0.00 0.00 1.92 5.08 0.34 -2.44 114.58 119.48 1nfg h GLU 135 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nfg h GLU 135 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1nfg h GLU 135 CO 0.00 0.18 0.00 1.28 -1.00 0.00 0.00 179.01 179.48 1nfg n LEU 136 N -3.40 0.21 -0.01 1.33 4.77 -0.90 0.51 117.00 119.52 1nfg n LEU 136 Ca -0.00 0.59 0.13 0.00 -0.03 0.00 0.00 56.01 56.69 1nfg n LEU 136 Cb 0.38 -0.59 0.44 0.00 -2.33 0.00 0.00 43.42 41.31 1nfg n LEU 136 CO 0.32 -0.58 0.71 -0.62 -1.33 0.00 0.00 177.39 175.89 1nfg n GLU 137 N -1.77 0.03 -0.07 3.23 -0.58 -0.92 -4.35 120.64 116.21 1nfg n GLU 137 Ca 0.00 -0.01 -0.15 0.00 -0.42 0.00 0.00 57.16 56.59 1nfg n GLU 137 Cb 0.06 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.38 1nfg n GLU 137 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1nfg n VAL 138 N -1.47 0.89 -0.32 2.62 0.31 0.18 -4.74 118.33 115.80 1nfg n VAL 138 Ca 0.07 -0.15 0.20 0.00 -0.01 0.00 0.00 64.34 64.45 1nfg n VAL 138 Cb 0.34 -1.74 0.40 0.00 -0.91 0.00 0.00 33.84 31.93 1nfg n VAL 138 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1nfg h LEU 139 N -0.54 0.18 -0.59 7.52 4.07 -1.56 -1.78 115.31 122.61 1nfg h LEU 139 Ca -0.33 0.22 0.12 0.00 0.08 0.00 0.00 57.88 57.97 1nfg h LEU 139 Cb 1.23 0.25 -0.11 0.00 1.08 0.00 0.00 40.66 43.11 1nfg h LEU 139 CO -0.20 -0.22 -0.10 -0.65 -1.08 0.00 0.00 178.44 176.19 1nfg h PRO 140 N 0.19 0.03 0.00 1.13 0.11 -1.68 0.23 132.00 132.01 1nfg h PRO 140 Ca 0.67 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.78 1nfg h PRO 140 Cb 1.51 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.61 1nfg h PRO 140 CO -0.69 0.02 0.00 -0.25 -0.21 0.00 0.00 178.00 176.87 1nfg n ASP 141 N -5.37 0.00 -0.21 -2.05 8.00 -0.67 -0.55 116.55 115.71 1nfg n ASP 141 Ca 0.07 0.46 0.12 0.00 0.71 0.00 0.00 54.79 56.16 1nfg n ASP 141 Cb 0.32 -0.48 0.24 0.00 -0.02 0.00 0.00 41.12 41.18 1nfg n ASP 141 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1nfg n LEU 142 N -1.48 1.07 0.00 0.64 4.77 0.76 -4.92 117.00 117.83 1nfg n LEU 142 Ca 0.02 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 1nfg n LEU 142 Cb 0.09 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1nfg n LEU 142 CO 0.07 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1nfg n GLY 143 N 1.41 1.03 3.15 -0.72 0.00 0.28 -4.74 105.19 105.61 1nfg n GLY 143 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1nfg n GLY 143 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nfg s ILE 144 N -2.00 3.89 -0.25 -0.61 -1.09 -0.98 -1.74 121.20 118.42 1nfg s ILE 144 Ca 0.00 -2.33 0.13 0.00 -2.23 0.00 0.00 60.65 56.21 1nfg s ILE 144 Cb 0.00 -3.56 0.55 0.00 -1.58 0.00 0.00 42.46 37.87 1nfg s ILE 144 CO 0.00 -0.81 1.49 0.35 -1.23 0.00 0.00 174.94 174.74 1nfg n THR 145 N 4.24 2.48 -3.66 2.92 -2.24 -1.26 -2.46 114.28 114.30 1nfg n THR 145 Ca 0.01 -2.19 -0.18 0.00 -2.27 0.00 0.00 64.05 59.42 1nfg n THR 145 Cb 0.40 -0.30 -0.16 0.00 -2.10 0.00 0.00 70.33 68.17 1nfg n THR 145 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1nfg s SER 146 N -2.06 0.96 0.37 3.42 1.04 -1.26 -1.68 113.70 114.50 1nfg s SER 146 Ca 0.45 0.19 0.06 0.00 0.48 0.00 0.00 55.95 57.13 1nfg s SER 146 Cb 0.38 0.13 0.06 0.00 0.10 0.00 0.00 66.02 66.69 1nfg s SER 146 CO 0.06 -0.25 0.51 0.49 0.98 0.00 0.00 173.24 175.02 1nfg n PHE 147 N 5.32 -2.56 0.00 5.02 3.72 -0.50 -1.49 117.46 126.97 1nfg n PHE 147 Ca -0.04 -1.33 0.00 0.00 -0.05 0.00 0.00 57.45 56.03 1nfg n PHE 147 Cb 0.50 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 1nfg n PHE 147 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1nfg n VAL 149 N -1.81 0.00 -4.92 -4.37 0.24 -0.75 0.61 118.33 107.33 1nfg n VAL 149 Ca 0.10 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 62.08 1nfg n VAL 149 Cb 0.38 0.00 -0.14 0.00 -1.47 0.00 0.00 33.84 32.61 1nfg n VAL 149 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1nfg s PHE 150 N -2.00 2.68 -2.24 6.34 0.40 -1.26 -2.11 117.98 119.78 1nfg s PHE 150 Ca 0.00 -0.25 0.22 0.00 -0.60 0.00 0.00 56.93 56.30 1nfg s PHE 150 Cb 0.00 -1.64 0.06 0.00 0.51 0.00 0.00 43.02 41.94 1nfg s PHE 150 CO 0.00 0.11 1.10 -1.33 0.70 0.00 0.00 175.22 175.81 1nfg n MET 151 N 2.47 1.60 -3.43 0.44 2.81 -0.86 -1.39 117.12 118.76 1nfg n MET 151 Ca -0.17 -1.28 -0.16 0.00 -1.81 0.00 0.00 57.70 54.28 1nfg n MET 151 Cb 0.52 -1.44 -0.04 0.00 -0.71 0.00 0.00 33.22 31.55 1nfg n MET 151 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1nfg n ALA 152 N 0.42 0.32 -2.18 3.04 0.00 -1.23 -2.77 120.51 118.10 1nfg n ALA 152 Ca 0.10 -1.23 -0.00 0.00 0.00 0.00 0.00 53.44 52.31 1nfg n ALA 152 Cb 0.49 0.79 0.00 0.00 0.00 0.00 0.00 19.45 20.73 1nfg n ALA 152 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1nfg n TYR 153 N -0.58 -1.35 -1.70 0.00 4.01 -1.26 -2.03 117.16 114.25 1nfg n TYR 153 Ca -0.05 0.52 -0.42 0.00 -0.16 0.00 0.00 57.90 57.78 1nfg n TYR 153 Cb 0.36 -2.66 -0.00 0.00 -0.31 0.00 0.00 39.34 36.72 1nfg n TYR 153 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1nfg n ARG 154 N -1.24 2.10 -3.95 -0.72 3.00 -1.26 -1.48 116.66 113.11 1nfg n ARG 154 Ca 0.01 0.74 -0.31 0.00 -0.00 0.00 0.00 57.85 58.28 1nfg n ARG 154 Cb 0.47 -2.33 0.01 0.00 0.00 0.00 0.00 32.46 30.61 1nfg n ARG 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1nfg n GLY 155 N 0.78 -0.49 2.18 5.14 0.00 -1.26 -4.68 105.19 106.86 1nfg n GLY 155 Ca 0.05 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1nfg n GLY 155 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1nfg n MET 156 N -4.58 0.00 0.00 1.61 0.00 -1.07 -5.01 117.12 108.07 1nfg n MET 156 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.75 1nfg n MET 156 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.74 1nfg n MET 156 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1nfg n ASN 157 N -3.48 2.88 -4.65 6.12 4.13 -0.65 -4.99 115.26 114.62 1nfg n ASN 157 Ca 0.00 0.00 -0.47 0.00 1.68 0.00 0.00 54.58 55.79 1nfg n ASN 157 Cb 0.00 0.35 -0.04 0.00 -1.54 0.00 0.00 39.78 38.55 1nfg n ASN 157 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 1nfg n MET 158 N -1.25 1.87 -4.58 3.52 1.56 -0.55 -4.21 117.12 113.48 1nfg n MET 158 Ca 0.00 0.67 -0.27 0.00 -0.27 0.00 0.00 57.70 57.84 1nfg n MET 158 Cb 0.22 -2.40 -0.10 0.00 2.15 0.00 0.00 33.22 33.10 1nfg n MET 158 CO 0.00 0.00 0.00 0.96 -0.73 0.00 0.00 175.97 176.20 1nfg s ILE 159 N 0.70 1.30 0.55 1.12 -5.25 -0.48 -4.79 121.20 114.35 1nfg s ILE 159 Ca 0.79 -2.00 0.05 0.00 -0.99 0.00 0.00 60.65 58.50 1nfg s ILE 159 Cb -0.75 -2.62 0.04 0.00 2.95 0.00 0.00 42.46 42.08 1nfg s ILE 159 CO 0.41 0.00 0.39 1.51 -1.79 0.00 0.00 174.94 175.46 1nfg s ASP 160 N -3.66 4.59 0.37 4.36 1.47 -1.26 -4.69 116.67 117.86 1nfg s ASP 160 Ca 0.27 -1.29 0.06 0.00 1.18 0.00 0.00 52.55 52.76 1nfg s ASP 160 Cb 0.06 0.49 0.76 0.00 -0.34 0.00 0.00 42.92 43.89 1nfg s ASP 160 CO 0.13 -1.13 2.00 0.44 0.68 0.00 0.00 175.17 177.29 1nfg h ASP 161 N 0.75 0.62 -0.64 2.11 3.32 -1.99 0.14 116.42 120.74 1nfg h ASP 161 Ca -0.37 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1nfg h ASP 161 Cb 1.31 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 1nfg h ASP 161 CO 0.58 0.43 0.40 0.58 -1.72 0.00 0.00 179.24 179.51 1nfg h VAL 162 N 0.72 1.17 0.42 -1.35 2.07 -1.99 0.12 116.25 117.42 1nfg h VAL 162 Ca 0.25 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1nfg h VAL 162 Cb 0.10 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1nfg h VAL 162 CO -0.07 0.17 -0.20 0.74 0.02 0.00 0.00 177.57 178.23 1nfg h THR 163 N 0.86 0.52 -0.80 2.57 2.02 -1.60 -1.96 112.91 114.53 1nfg h THR 163 Ca 0.23 -0.43 0.16 0.00 0.77 0.00 0.00 66.41 67.15 1nfg h THR 163 Cb -0.06 0.71 -0.10 0.00 -1.74 0.00 0.00 68.15 66.95 1nfg h THR 163 CO -0.05 0.07 0.33 0.25 0.37 0.00 0.00 175.52 176.49 1nfg h LEU 164 N -0.84 0.30 -0.89 2.58 5.85 -0.86 0.32 115.31 121.77 1nfg h LEU 164 Ca -0.06 0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1nfg h LEU 164 Cb 0.55 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1nfg h LEU 164 CO 0.10 0.08 0.12 -0.07 -0.34 0.00 0.00 178.44 178.33 1nfg h LEU 165 N 0.44 0.89 -0.49 2.25 3.38 -0.72 0.37 115.31 121.42 1nfg h LEU 165 Ca 0.45 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 58.10 1nfg h LEU 165 Cb 0.74 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1nfg h LEU 165 CO -0.44 0.88 -0.35 0.11 0.09 0.00 0.00 178.44 178.73 1nfg h LYS 166 N 0.90 0.86 -0.21 1.13 1.57 0.05 -0.83 116.57 120.04 1nfg h LYS 166 Ca 0.19 -0.43 -0.05 0.00 -1.87 0.00 0.00 60.65 58.50 1nfg h LYS 166 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1nfg h LYS 166 CO 0.00 1.07 -0.05 1.15 -0.57 0.00 0.00 179.45 181.05 1nfg h THR 167 N 0.71 1.29 -0.99 -0.16 2.02 -0.15 -0.99 112.91 114.64 1nfg h THR 167 Ca 0.07 -1.04 0.05 0.00 0.77 0.00 0.00 66.41 66.25 1nfg h THR 167 Cb 0.91 1.54 -0.06 0.00 -1.74 0.00 0.00 68.15 68.81 1nfg h THR 167 CO 0.08 0.32 0.65 -0.07 0.37 0.00 0.00 175.52 176.87 1nfg h LEU 168 N 0.13 1.07 -0.44 2.58 -0.00 -0.19 -0.59 115.31 117.87 1nfg h LEU 168 Ca 0.05 -0.01 -0.08 0.00 -0.00 0.00 0.00 57.88 57.85 1nfg h LEU 168 Cb 0.51 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.91 1nfg h LEU 168 CO 0.02 0.72 -0.02 -0.78 -0.00 0.00 0.00 178.44 178.37 1nfg h ASP 169 N 1.23 0.77 -0.41 -0.43 1.82 -0.91 -2.30 116.42 116.19 1nfg h ASP 169 Ca 0.40 -0.32 -0.10 0.00 -0.39 0.00 0.00 57.03 56.63 1nfg h ASP 169 Cb 0.05 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.84 1nfg h ASP 169 CO -0.14 0.91 -0.10 0.11 -1.61 0.00 0.00 179.24 178.41 1nfg h LYS 170 N 0.62 0.87 -0.79 0.28 1.79 -0.68 -2.67 116.57 115.99 1nfg h LYS 170 Ca 0.12 -0.29 -0.02 0.00 -2.18 0.00 0.00 60.65 58.27 1nfg h LYS 170 Cb 0.53 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 31.07 1nfg h LYS 170 CO 0.03 0.93 0.40 0.00 -1.08 0.00 0.00 179.45 179.72 1nfg h ALA 171 N 1.10 1.01 -0.63 3.86 0.00 -1.00 -0.58 119.26 123.03 1nfg h ALA 171 Ca 0.13 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1nfg h ALA 171 Cb 0.61 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1nfg h ALA 171 CO 0.04 0.56 0.12 0.28 0.00 0.00 0.00 179.25 180.25 1nfg h VAL 172 N 1.11 1.25 -0.10 0.00 2.07 -1.24 0.70 116.25 120.04 1nfg h VAL 172 Ca 0.27 -0.97 -0.15 0.00 0.82 0.00 0.00 66.70 66.67 1nfg h VAL 172 Cb 0.09 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1nfg h VAL 172 CO -0.04 0.36 -0.59 0.11 0.02 0.00 0.00 177.57 177.44 1nfg h LYS 173 N 0.96 0.32 -0.49 1.57 1.57 -1.10 -3.16 116.57 116.24 1nfg h LYS 173 Ca 0.20 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1nfg h LYS 173 Cb 0.39 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1nfg h LYS 173 CO 0.01 0.81 0.00 0.25 -0.57 0.00 0.00 179.45 179.95 1nfg n THR 174 N -3.90 0.64 -3.39 -0.16 -2.24 -0.27 -4.96 114.28 100.01 1nfg n THR 174 Ca -0.03 -0.81 -0.19 0.00 -2.27 0.00 0.00 64.05 60.76 1nfg n THR 174 Cb 0.61 0.82 0.08 0.00 -2.10 0.00 0.00 70.33 69.73 1nfg n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nfg n GLY 175 N 1.55 -0.34 3.79 3.38 0.00 0.34 -4.75 105.19 109.17 1nfg n GLY 175 Ca 0.21 0.10 -0.26 0.00 0.00 0.00 0.00 46.02 46.08 1nfg n GLY 175 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nfg s SER 176 N -3.71 4.49 -0.15 1.61 0.01 0.22 0.77 113.70 116.93 1nfg s SER 176 Ca 0.29 -1.16 0.01 0.00 1.31 0.00 0.00 55.95 56.40 1nfg s SER 176 Cb -0.13 -0.16 0.01 0.00 0.21 0.00 0.00 66.02 65.95 1nfg s SER 176 CO 0.65 -0.72 -0.19 -0.22 0.41 0.00 0.00 173.24 173.17 1nfg s LEU 177 N -4.01 2.24 -0.02 2.44 2.96 -0.67 -4.47 118.68 117.15 1nfg s LEU 177 Ca 0.36 -0.57 -0.25 0.00 -0.22 0.00 0.00 54.13 53.46 1nfg s LEU 177 Cb 0.02 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 1nfg s LEU 177 CO 0.20 0.07 0.76 -0.69 -1.32 0.00 0.00 176.35 175.37 1nfg s VAL 178 N 0.91 4.92 0.07 1.68 1.01 -1.26 -1.40 120.40 126.33 1nfg s VAL 178 Ca -0.04 1.58 0.06 0.00 0.00 0.00 0.00 61.98 63.58 1nfg s VAL 178 Cb -0.15 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1nfg s VAL 178 CO -0.03 0.28 -0.08 -0.04 0.00 0.00 0.00 175.10 175.22 1nfg s MET 179 N 0.54 2.29 -0.10 2.72 1.00 0.20 -0.42 119.30 125.54 1nfg s MET 179 Ca 0.40 -0.92 -0.08 0.00 0.00 0.00 0.00 55.69 55.09 1nfg s MET 179 Cb -0.19 -2.38 0.03 0.00 0.00 0.00 0.00 34.83 32.29 1nfg s MET 179 CO 0.21 0.54 0.25 0.54 0.00 0.00 0.00 175.02 176.56 1nfg s VAL 180 N -1.15 -0.01 -0.51 -6.03 0.11 -0.68 -1.81 120.40 110.33 1nfg s VAL 180 Ca 0.20 0.02 -0.23 0.00 -2.93 0.00 0.00 61.98 59.05 1nfg s VAL 180 Cb -0.11 -0.36 0.04 0.00 -1.53 0.00 0.00 36.38 34.42 1nfg s VAL 180 CO 0.12 0.01 0.81 -2.28 -3.33 0.00 0.00 175.10 170.43 1nfg s HIS 181 N 0.32 2.92 -0.63 1.54 2.46 -0.90 -2.70 115.29 118.31 1nfg s HIS 181 Ca -0.02 -0.08 -0.16 0.00 0.47 0.00 0.00 55.06 55.27 1nfg s HIS 181 Cb -0.03 -3.79 0.15 0.00 -0.13 0.00 0.00 32.58 28.77 1nfg s HIS 181 CO -0.01 -1.15 0.61 0.00 -2.47 0.00 0.00 174.74 171.71 1nfg s ALA 182 N 3.40 3.72 -0.06 1.58 0.00 -1.26 -2.03 121.76 127.11 1nfg s ALA 182 Ca 0.26 -2.70 -0.10 0.00 0.00 0.00 0.00 51.96 49.42 1nfg s ALA 182 Cb -0.14 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.62 1nfg s ALA 182 CO 0.19 -2.15 0.25 -1.21 0.00 0.00 0.00 175.76 172.84 1nfg s GLU 183 N 1.41 0.44 -0.68 0.00 2.02 -1.26 -4.29 118.70 116.34 1nfg s GLU 183 Ca 0.08 0.06 -0.24 0.00 0.02 0.00 0.00 54.97 54.90 1nfg s GLU 183 Cb -0.24 0.20 0.06 0.00 0.10 0.00 0.00 34.13 34.25 1nfg s GLU 183 CO 0.00 -0.09 1.05 1.21 0.02 0.00 0.00 175.26 177.45 1nfg s ASN 184 N -0.55 6.18 0.22 -0.19 3.84 -0.58 -3.58 114.94 120.27 1nfg s ASN 184 Ca -0.07 -0.82 -0.08 0.00 0.21 0.00 0.00 52.86 52.10 1nfg s ASN 184 Cb -0.04 -2.46 0.29 0.00 -0.55 0.00 0.00 41.25 38.49 1nfg s ASN 184 CO 0.02 -1.54 1.78 1.23 -2.79 0.00 0.00 177.10 175.80 1nfg h GLY 185 N 11.79 0.99 0.97 1.21 0.00 -1.87 -1.13 103.07 115.03 1nfg h GLY 185 Ca -0.28 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 1nfg h GLY 185 CO 1.21 0.08 0.21 -0.55 0.00 0.00 0.00 176.54 177.48 1nfg h ASP 186 N 0.60 0.67 -0.52 0.19 3.32 -1.90 0.23 116.42 119.00 1nfg h ASP 186 Ca 0.32 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 57.24 1nfg h ASP 186 Cb 0.30 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 1nfg h ASP 186 CO -0.24 0.64 0.31 0.00 -1.72 0.00 0.00 179.24 178.22 1nfg h ALA 187 N 1.05 0.67 0.04 3.45 0.00 -1.84 -0.36 119.26 122.27 1nfg h ALA 187 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1nfg h ALA 187 Cb 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1nfg h ALA 187 CO -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 179.25 179.22 1nfg h ALA 188 N 1.24 -0.06 -0.56 0.00 0.00 -0.64 -2.42 119.26 116.83 1nfg h ALA 188 Ca 0.21 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.19 1nfg h ALA 188 Cb 0.03 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 1nfg h ALA 188 CO -0.10 -0.52 0.12 -0.44 0.00 0.00 0.00 179.25 178.32 1nfg h ASP 189 N -0.08 0.02 -0.35 0.00 3.32 -0.09 0.41 116.42 119.66 1nfg h ASP 189 Ca -0.01 0.10 0.07 0.00 0.02 0.00 0.00 57.03 57.21 1nfg h ASP 189 Cb 0.07 0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.68 1nfg h ASP 189 CO 0.01 0.03 -0.10 0.22 -1.72 0.00 0.00 179.24 177.68 1nfg h TYR 190 N 0.26 -0.22 -0.28 4.55 3.20 -0.83 -0.11 116.97 123.55 1nfg h TYR 190 Ca 0.29 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 62.01 1nfg h TYR 190 Cb 0.40 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 1nfg h TYR 190 CO -0.23 -0.17 -0.53 -0.07 -1.64 0.00 0.00 178.16 175.52 1nfg h LEU 191 N -0.02 0.89 0.11 2.82 3.38 -0.82 -1.85 115.31 119.82 1nfg h LEU 191 Ca 0.17 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.68 1nfg h LEU 191 Cb 0.28 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1nfg h LEU 191 CO -0.37 1.25 -0.13 0.03 0.09 0.00 0.00 178.44 179.31 1nfg h ARG 192 N 0.62 -0.27 -0.71 1.13 3.08 0.30 -1.13 114.38 117.40 1nfg h ARG 192 Ca 0.02 0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 1nfg h ARG 192 Cb 1.12 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.20 1nfg h ARG 192 CO 0.11 -0.18 0.17 -0.44 -1.07 0.00 0.00 179.97 178.56 1nfg h ASP 193 N -0.28 1.08 -0.75 7.04 3.32 -1.07 -2.18 116.42 123.58 1nfg h ASP 193 Ca 0.01 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 56.84 1nfg h ASP 193 Cb 0.27 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 1nfg h ASP 193 CO -0.05 1.04 0.49 0.50 -1.72 0.00 0.00 179.24 179.50 1nfg h LYS 194 N 1.08 0.95 -0.20 3.56 3.64 -1.11 0.49 116.57 124.98 1nfg h LYS 194 Ca 0.22 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1nfg h LYS 194 Cb 0.38 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1nfg h LYS 194 CO 0.00 0.63 0.04 0.74 -2.27 0.00 0.00 179.45 178.60 1nfg h PHE 195 N 0.98 0.35 -0.77 1.91 0.04 -0.94 -2.40 116.94 116.11 1nfg h PHE 195 Ca 0.29 -0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.97 1nfg h PHE 195 Cb -0.06 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 37.96 1nfg h PHE 195 CO -0.03 0.45 0.33 0.28 -0.60 0.00 0.00 178.31 178.75 1nfg h VAL 196 N 0.14 1.25 -0.38 -0.55 2.07 -1.12 0.59 116.25 118.25 1nfg h VAL 196 Ca 0.06 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1nfg h VAL 196 Cb 0.29 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1nfg h VAL 196 CO 0.00 0.32 0.23 0.00 0.02 0.00 0.00 177.57 178.13 1nfg h ALA 197 N 1.24 1.69 -0.12 1.67 0.00 -0.75 0.92 119.26 123.91 1nfg h ALA 197 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1nfg h ALA 197 Cb 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1nfg h ALA 197 CO -0.03 0.27 0.00 0.39 0.00 0.00 0.00 179.25 179.89 1nfg n GLU 198 N -4.46 1.35 -1.00 0.00 1.02 -0.70 -4.88 120.64 111.98 1nfg n GLU 198 Ca 0.03 -0.54 0.00 0.00 -0.02 0.00 0.00 57.16 56.63 1nfg n GLU 198 Cb 0.08 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1nfg n GLU 198 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nfg n GLY 199 N 0.83 0.48 3.52 0.62 0.00 0.32 -5.00 105.19 105.96 1nfg n GLY 199 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1nfg n GLY 199 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfg s LYS 200 N -0.12 3.35 0.00 1.61 1.02 0.12 -4.86 119.74 120.85 1nfg s LYS 200 Ca 0.00 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.74 1nfg s LYS 200 Cb 0.00 -4.01 0.00 0.00 -0.52 0.00 0.00 37.83 33.30 1nfg s LYS 200 CO 0.00 -1.33 0.26 0.25 -0.92 0.00 0.00 175.35 173.62 1nfg n THR 201 N 6.14 0.00 -0.85 2.17 -2.24 -1.26 -3.65 114.28 114.58 1nfg n THR 201 Ca 0.01 -0.43 -0.31 0.00 -2.27 0.00 0.00 64.05 61.05 1nfg n THR 201 Cb 0.48 1.08 0.15 0.00 -2.10 0.00 0.00 70.33 69.94 1nfg n THR 201 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nfg s ALA 202 N -0.34 1.61 0.39 6.98 0.00 -1.26 -1.66 121.76 127.49 1nfg s ALA 202 Ca 0.00 0.46 0.14 0.00 0.00 0.00 0.00 51.96 52.56 1nfg s ALA 202 Cb 0.00 -3.39 0.98 0.00 0.00 0.00 0.00 23.12 20.71 1nfg s ALA 202 CO 0.00 -2.53 1.87 -1.35 0.00 0.00 0.00 175.76 173.75 1nfg h PRO 203 N -1.70 0.50 -0.98 0.00 0.11 -1.91 -2.16 132.00 125.85 1nfg h PRO 203 Ca -0.44 -0.03 0.23 0.00 0.11 0.00 0.00 66.00 65.87 1nfg h PRO 203 Cb 1.26 -0.11 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 1nfg h PRO 203 CO 0.45 0.33 0.64 0.82 -0.21 0.00 0.00 178.00 180.02 1nfg h ILE 204 N 0.51 0.61 0.00 4.15 2.04 -1.91 0.31 117.51 123.22 1nfg h ILE 204 Ca 0.45 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 66.16 1nfg h ILE 204 Cb 0.96 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1nfg h ILE 204 CO -0.19 0.08 0.00 -1.22 0.00 0.00 0.00 178.15 176.82 1nfg n TYR 205 N -4.59 0.04 -0.13 1.37 4.01 -0.81 -1.33 117.16 115.73 1nfg n TYR 205 Ca 0.23 0.02 -0.12 0.00 -0.16 0.00 0.00 57.90 57.86 1nfg n TYR 205 Cb 0.77 -0.53 -0.02 0.00 -0.31 0.00 0.00 39.34 39.25 1nfg n TYR 205 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 1nfg h HIS 206 N 0.00 1.04 0.06 -0.72 -0.00 -0.54 -0.77 115.15 114.21 1nfg h HIS 206 Ca 0.00 -0.28 -0.00 0.00 -0.00 0.00 0.00 60.37 60.09 1nfg h HIS 206 Cb 0.20 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.38 1nfg h HIS 206 CO 0.00 1.08 -0.03 0.00 -0.00 0.00 0.00 177.93 178.98 1nfg h ALA 207 N 0.80 -0.08 0.00 5.26 0.00 -1.32 -3.27 119.26 120.66 1nfg h ALA 207 Ca 0.08 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1nfg h ALA 207 Cb 0.84 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1nfg h ALA 207 CO 0.07 -0.20 -0.02 -0.07 0.00 0.00 0.00 179.25 179.03 1nfg h LEU 208 N -0.76 0.00 -0.12 0.00 3.38 -1.46 -0.86 115.31 115.49 1nfg h LEU 208 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1nfg h LEU 208 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1nfg h LEU 208 CO 0.01 0.02 0.00 -1.54 0.09 0.00 0.00 178.44 177.02 1nfg n SER 209 N -4.31 0.22 -3.10 -0.43 3.41 -0.30 -3.94 113.62 105.18 1nfg n SER 209 Ca -0.03 0.54 -0.20 0.00 -0.26 0.00 0.00 58.87 58.92 1nfg n SER 209 Cb 0.11 -0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 63.42 1nfg n SER 209 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1nfg n ARG 210 N -1.73 0.74 -1.15 4.33 1.85 -0.33 -4.36 116.66 116.00 1nfg n ARG 210 Ca 0.05 -2.91 -0.30 0.00 -1.00 0.00 0.00 57.85 53.69 1nfg n ARG 210 Cb 0.26 -1.28 0.15 0.00 -1.05 0.00 0.00 32.46 30.54 1nfg n ARG 210 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1nfg s PRO 211 N -0.83 1.07 0.36 2.89 0.04 -1.19 -4.58 135.00 132.76 1nfg s PRO 211 Ca 0.34 0.82 0.21 0.00 0.04 0.00 0.00 61.00 62.42 1nfg s PRO 211 Cb 0.19 -1.79 1.32 0.00 0.04 0.00 0.00 34.50 34.27 1nfg s PRO 211 CO -0.14 -2.37 1.54 -2.30 0.04 0.00 0.00 177.00 173.77 1nfg n PRO 212 N -3.97 -0.06 -0.31 0.56 -0.02 -1.26 -0.39 135.00 129.56 1nfg n PRO 212 Ca 0.07 1.33 0.00 0.00 -2.02 0.00 0.00 63.50 62.88 1nfg n PRO 212 Cb 0.55 -2.41 0.19 0.00 -0.02 0.00 0.00 33.50 31.81 1nfg n PRO 212 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1nfg h ARG 213 N 0.00 1.13 -0.69 -0.52 9.65 -1.98 0.26 114.38 122.22 1nfg h ARG 213 Ca 0.83 -0.07 0.04 0.00 -1.10 0.00 0.00 59.98 59.68 1nfg h ARG 213 Cb 2.23 -0.26 -0.05 0.00 -1.39 0.00 0.00 29.97 30.51 1nfg h ARG 213 CO -0.73 0.75 0.41 0.28 2.80 0.00 0.00 179.97 183.48 1nfg h VAL 214 N 1.17 1.04 0.03 0.20 2.07 -1.04 -0.73 116.25 118.97 1nfg h VAL 214 Ca 0.34 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 1nfg h VAL 214 Cb -0.05 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 1nfg h VAL 214 CO -0.09 0.14 -0.01 -0.08 0.02 0.00 0.00 177.57 177.55 1nfg h GLU 215 N 0.78 -0.03 -0.20 1.57 4.81 -1.35 -1.55 114.58 118.61 1nfg h GLU 215 Ca 0.29 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.58 1nfg h GLU 215 Cb 0.10 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.42 1nfg h GLU 215 CO -0.14 0.53 -0.29 0.00 -0.73 0.00 0.00 179.01 178.39 1nfg h ALA 216 N 0.30 -0.25 0.12 2.92 0.00 -0.30 -0.18 119.26 121.87 1nfg h ALA 216 Ca -0.00 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1nfg h ALA 216 Cb 0.59 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1nfg h ALA 216 CO 0.01 -0.73 -0.40 1.49 0.00 0.00 0.00 179.25 179.61 1nfg h GLU 217 N -0.32 -0.61 -0.62 0.00 4.22 -1.26 0.13 114.58 116.11 1nfg h GLU 217 Ca 0.12 0.04 0.08 0.00 0.08 0.00 0.00 59.36 59.69 1nfg h GLU 217 Cb 0.51 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.83 1nfg h GLU 217 CO -0.38 -0.41 0.27 0.00 -2.18 0.00 0.00 179.01 176.31 1nfg h ALA 218 N -0.12 0.82 -0.04 2.92 0.00 -1.50 0.29 119.26 121.62 1nfg h ALA 218 Ca 0.02 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1nfg h ALA 218 Cb 0.66 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1nfg h ALA 218 CO -0.23 -0.12 -0.17 1.15 0.00 0.00 0.00 179.25 179.88 1nfg h THR 219 N 0.49 0.58 -0.57 0.00 2.02 -0.47 0.12 112.91 115.09 1nfg h THR 219 Ca 0.30 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.53 1nfg h THR 219 Cb 0.32 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 1nfg h THR 219 CO -0.26 0.00 0.31 0.00 0.37 0.00 0.00 175.52 175.94 1nfg h ALA 220 N 0.70 0.74 -0.04 6.16 0.00 0.02 -1.24 119.26 125.60 1nfg h ALA 220 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nfg h ALA 220 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1nfg h ALA 220 CO -0.19 -0.01 0.01 -0.09 0.00 0.00 0.00 179.25 178.97 1nfg h ARG 221 N 0.60 0.03 -0.17 0.00 2.43 -0.48 0.13 114.38 116.91 1nfg h ARG 221 Ca 0.25 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.45 1nfg h ARG 221 Cb 0.11 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 1nfg h ARG 221 CO -0.15 0.02 -0.06 0.00 -1.51 0.00 0.00 179.97 178.27 1nfg h ALA 222 N 1.03 0.09 -0.69 2.80 0.00 -0.65 0.11 119.26 121.95 1nfg h ALA 222 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nfg h ALA 222 Cb 0.01 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1nfg h ALA 222 CO -0.03 -0.50 0.45 -0.07 0.00 0.00 0.00 179.25 179.11 1nfg h LEU 223 N -0.03 0.80 -0.41 0.00 3.38 -0.93 0.86 115.31 118.97 1nfg h LEU 223 Ca 0.09 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1nfg h LEU 223 Cb 0.17 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1nfg h LEU 223 CO -0.20 0.59 0.10 0.00 0.09 0.00 0.00 178.44 179.02 1nfg h ALA 224 N 1.56 0.55 -0.74 1.53 0.00 0.22 -0.04 119.26 122.32 1nfg h ALA 224 Ca 0.25 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1nfg h ALA 224 Cb -0.10 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1nfg h ALA 224 CO -0.05 0.23 0.31 -0.07 0.00 0.00 0.00 179.25 179.66 1nfg h LEU 225 N 0.53 1.02 -0.86 0.00 4.07 -0.03 -0.42 115.31 119.62 1nfg h LEU 225 Ca 0.13 -0.17 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 1nfg h LEU 225 Cb 0.32 -0.26 -0.04 0.00 1.08 0.00 0.00 40.66 41.76 1nfg h LEU 225 CO 0.00 0.91 0.48 0.00 -1.08 0.00 0.00 178.44 178.75 1nfg h ALA 226 N 1.15 1.10 -0.58 1.53 0.00 -0.55 -0.93 119.26 120.99 1nfg h ALA 226 Ca 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1nfg h ALA 226 Cb 0.20 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1nfg h ALA 226 CO -0.02 0.61 0.34 1.49 0.00 0.00 0.00 179.25 181.66 1nfg h GLU 227 N 1.20 0.79 -0.11 0.00 4.81 -0.20 0.51 114.58 121.59 1nfg h GLU 227 Ca 0.30 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1nfg h GLU 227 Cb 0.02 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1nfg h GLU 227 CO -0.05 0.58 0.05 0.82 -0.73 0.00 0.00 179.01 179.68 1nfg h ILE 228 N 0.78 1.12 0.00 2.32 1.08 -0.55 -2.09 117.51 120.17 1nfg h ILE 228 Ca 0.21 -0.35 -0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1nfg h ILE 228 Cb 0.00 1.15 -0.00 0.00 -3.07 0.00 0.00 36.82 34.90 1nfg h ILE 228 CO -0.04 0.11 -0.01 0.58 -0.69 0.00 0.00 178.15 178.10 1nfg h VAL 229 N 0.05 0.03 -4.69 1.67 2.07 -1.06 -3.47 116.25 110.85 1nfg h VAL 229 Ca 0.04 -0.67 -0.19 0.00 0.82 0.00 0.00 66.70 66.70 1nfg h VAL 229 Cb 0.13 1.65 0.14 0.00 -1.52 0.00 0.00 31.29 31.68 1nfg h VAL 229 CO -0.00 0.01 -0.59 -3.20 0.02 0.00 0.00 177.57 173.81 1nfg n ASN 230 N -3.11 -4.51 -4.17 0.57 4.05 0.16 -4.99 115.26 103.26 1nfg n ASN 230 Ca 0.01 -0.48 -0.13 0.00 0.45 0.00 0.00 54.58 54.43 1nfg n ASN 230 Cb 0.37 -3.80 -0.11 0.00 1.23 0.00 0.00 39.78 37.47 1nfg n ASN 230 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1nfg s ALA 231 N -3.27 1.05 0.42 5.20 0.00 -0.16 -5.02 121.76 119.98 1nfg s ALA 231 Ca 0.25 -1.22 -0.22 0.00 0.00 0.00 0.00 51.96 50.76 1nfg s ALA 231 Cb -0.03 0.07 -0.09 0.00 0.00 0.00 0.00 23.12 23.07 1nfg s ALA 231 CO 0.52 -0.10 1.01 -1.25 0.00 0.00 0.00 175.76 175.93 1nfg s PRO 232 N -3.08 4.14 0.02 0.00 0.04 -1.26 -4.54 135.00 130.32 1nfg s PRO 232 Ca 0.07 1.34 -0.04 0.00 0.04 0.00 0.00 61.00 62.41 1nfg s PRO 232 Cb -0.01 -2.36 -0.01 0.00 0.04 0.00 0.00 34.50 32.17 1nfg s PRO 232 CO -0.01 -0.13 0.05 -1.50 0.04 0.00 0.00 177.00 175.44 1nfg s ILE 233 N -1.88 0.12 -0.18 0.56 2.07 -0.79 -4.03 121.20 117.07 1nfg s ILE 233 Ca 0.61 -1.00 0.00 0.00 -1.41 0.00 0.00 60.65 58.85 1nfg s ILE 233 Cb -0.16 -0.63 0.04 0.00 0.13 0.00 0.00 42.46 41.84 1nfg s ILE 233 CO 0.21 -0.55 -0.10 -0.47 -1.91 0.00 0.00 174.94 172.12 1nfg s TYR 234 N -2.05 2.19 -0.35 3.50 6.14 0.43 -0.75 117.35 126.47 1nfg s TYR 234 Ca -0.10 -1.40 -0.20 0.00 0.64 0.00 0.00 57.07 56.01 1nfg s TYR 234 Cb -0.05 -1.55 0.00 0.00 0.42 0.00 0.00 41.96 40.79 1nfg s TYR 234 CO -0.02 -0.70 0.63 0.42 0.64 0.00 0.00 175.55 176.52 1nfg s ILE 235 N 1.47 4.90 0.59 3.14 1.09 0.31 -1.69 121.20 131.01 1nfg s ILE 235 Ca 0.00 0.62 -0.14 0.00 -1.10 0.00 0.00 60.65 60.03 1nfg s ILE 235 Cb -0.15 -4.06 -0.04 0.00 -1.06 0.00 0.00 42.46 37.14 1nfg s ILE 235 CO -0.08 -0.29 1.03 0.68 -0.10 0.00 0.00 174.94 176.18 1nfg s VAL 236 N 2.69 4.25 -0.40 2.92 -7.23 -1.10 -2.34 120.40 119.20 1nfg s VAL 236 Ca 0.24 0.95 -0.04 0.00 -1.81 0.00 0.00 61.98 61.32 1nfg s VAL 236 Cb -0.15 -3.59 0.01 0.00 0.56 0.00 0.00 36.38 33.21 1nfg s VAL 236 CO 0.14 -0.75 0.32 0.00 -0.31 0.00 0.00 175.10 174.51 1nfg n HIS 237 N -2.21 -1.12 -2.58 2.82 -0.00 -1.25 -4.72 115.22 106.17 1nfg n HIS 237 Ca 0.07 0.46 -0.43 0.00 -0.00 0.00 0.00 57.72 57.83 1nfg n HIS 237 Cb 0.54 -1.34 -0.02 0.00 -0.00 0.00 0.00 29.99 29.16 1nfg n HIS 237 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1nfg s VAL 238 N -2.20 4.53 -0.25 0.61 1.01 0.11 -4.81 120.40 119.40 1nfg s VAL 238 Ca 0.04 1.83 0.05 0.00 0.00 0.00 0.00 61.98 63.89 1nfg s VAL 238 Cb -0.00 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1nfg s VAL 238 CO 0.47 -0.05 0.23 0.35 0.00 0.00 0.00 175.10 176.10 1nfg n THR 239 N 4.82 0.00 -4.07 3.92 -2.24 -1.26 -4.53 114.28 110.92 1nfg n THR 239 Ca 0.11 -0.40 -0.10 0.00 -2.27 0.00 0.00 64.05 61.39 1nfg n THR 239 Cb 0.47 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 69.64 1nfg n THR 239 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nfg h GLU 241 N 2.38 0.59 -0.49 0.00 4.81 -1.92 -1.58 114.58 118.37 1nfg h GLU 241 Ca -0.30 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.84 1nfg h GLU 241 Cb 1.25 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 1nfg h GLU 241 CO 0.42 0.39 0.06 1.05 -0.73 0.00 0.00 179.01 180.20 1nfg h GLU 242 N 0.61 0.82 -0.15 1.92 9.09 -1.97 -1.09 114.58 123.80 1nfg h GLU 242 Ca 0.28 -0.23 -0.18 0.00 0.05 0.00 0.00 59.36 59.27 1nfg h GLU 242 Cb 0.19 -0.09 -0.00 0.00 -1.65 0.00 0.00 28.75 27.19 1nfg h GLU 242 CO -0.18 0.83 -0.66 0.66 0.05 0.00 0.00 179.01 179.71 1nfg h SER 243 N 0.69 0.67 -0.99 3.06 4.64 -1.81 -2.95 113.55 116.85 1nfg h SER 243 Ca 0.15 -0.40 0.01 0.00 -0.47 0.00 0.00 61.79 61.07 1nfg h SER 243 Cb 0.42 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 62.26 1nfg h SER 243 CO 0.01 1.15 0.64 0.25 -0.87 0.00 0.00 176.83 178.02 1nfg h LEU 244 N 0.42 1.15 -1.02 5.97 5.85 -1.18 -1.84 115.31 124.67 1nfg h LEU 244 Ca -0.02 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.74 1nfg h LEU 244 Cb 1.24 -0.29 -0.07 0.00 0.37 0.00 0.00 40.66 41.91 1nfg h LEU 244 CO 0.12 0.84 0.64 -0.08 -0.34 0.00 0.00 178.44 179.63 1nfg h GLU 245 N 1.35 1.09 -0.56 1.25 4.81 -1.03 0.06 114.58 121.56 1nfg h GLU 245 Ca 0.36 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.43 1nfg h GLU 245 Cb -0.13 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 28.98 1nfg h GLU 245 CO -0.08 0.72 -0.03 0.93 -0.73 0.00 0.00 179.01 179.82 1nfg h GLU 246 N 1.12 0.99 -0.27 1.92 4.39 -1.25 0.89 114.58 122.37 1nfg h GLU 246 Ca 0.45 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1nfg h GLU 246 Cb 0.26 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1nfg h GLU 246 CO -0.20 0.99 0.17 0.28 -1.16 0.00 0.00 179.01 179.09 1nfg h VAL 247 N 0.90 1.09 -0.57 3.13 2.07 -0.84 -0.27 116.25 121.77 1nfg h VAL 247 Ca 0.16 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1nfg h VAL 247 Cb 0.57 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1nfg h VAL 247 CO 0.03 0.09 0.36 -0.03 0.02 0.00 0.00 177.57 178.04 1nfg h MET 248 N 0.35 0.71 -0.83 1.57 -1.53 -0.67 -0.00 114.93 114.53 1nfg h MET 248 Ca 0.10 -0.04 -0.03 0.00 -3.44 0.00 0.00 59.70 56.28 1nfg h MET 248 Cb -0.01 -0.16 -0.04 0.00 -0.55 0.00 0.00 31.60 30.85 1nfg h MET 248 CO -0.02 0.47 0.40 0.00 0.14 0.00 0.00 176.91 177.90 1nfg h ARG 249 N 0.73 1.20 -0.17 0.39 3.08 -0.40 -1.73 114.38 117.48 1nfg h ARG 249 Ca 0.22 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1nfg h ARG 249 Cb -0.04 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 1nfg h ARG 249 CO -0.07 0.92 0.10 0.00 -1.07 0.00 0.00 179.97 179.85 1nfg h ALA 250 N 1.21 0.22 -0.93 0.04 0.00 -0.46 -2.35 119.26 116.98 1nfg h ALA 250 Ca 0.29 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.24 1nfg h ALA 250 Cb 0.12 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 1nfg h ALA 250 CO -0.04 -0.25 0.58 0.87 0.00 0.00 0.00 179.25 180.41 1nfg h LYS 251 N 0.18 0.94 -0.05 0.00 1.57 -0.56 -1.28 116.57 117.38 1nfg h LYS 251 Ca 0.06 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1nfg h LYS 251 Cb 0.06 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1nfg h LYS 251 CO -0.01 0.62 -0.31 0.77 -0.57 0.00 0.00 179.45 179.95 1nfg h SER 252 N 0.97 0.08 0.64 0.86 0.02 -0.98 -2.01 113.55 113.14 1nfg h SER 252 Ca 0.44 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 1nfg h SER 252 Cb 0.35 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.86 1nfg h SER 252 CO -0.23 0.39 0.00 0.54 -1.14 0.00 0.00 176.83 176.39 1nfg n ARG 253 N -4.15 0.14 0.00 3.45 1.74 -0.55 -4.86 116.66 112.43 1nfg n ARG 253 Ca -0.02 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 1nfg n ARG 253 Cb 0.37 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 1nfg n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nfg n GLY 254 N 0.78 0.74 3.73 -0.13 0.00 -0.76 -5.06 105.19 104.50 1nfg n GLY 254 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1nfg n GLY 254 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nfg s VAL 255 N -2.00 3.57 -1.24 1.61 1.01 -0.83 -4.87 120.40 117.65 1nfg s VAL 255 Ca 0.00 1.22 -0.17 0.00 0.00 0.00 0.00 61.98 63.03 1nfg s VAL 255 Cb 0.00 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1nfg s VAL 255 CO 0.00 0.15 2.04 0.54 0.00 0.00 0.00 175.10 177.83 1nfg n ARG 256 N 3.19 2.48 -3.68 2.72 1.74 -1.26 -4.27 116.66 117.57 1nfg n ARG 256 Ca 0.07 -2.53 -0.36 0.00 -0.77 0.00 0.00 57.85 54.27 1nfg n ARG 256 Cb 0.44 -3.27 -0.07 0.00 -1.02 0.00 0.00 32.46 28.54 1nfg n ARG 256 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nfg s ALA 257 N 4.50 3.69 0.21 7.54 0.00 -1.26 -1.89 121.76 134.54 1nfg s ALA 257 Ca 0.53 -0.57 0.10 0.00 0.00 0.00 0.00 51.96 52.01 1nfg s ALA 257 Cb 0.11 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 1nfg s ALA 257 CO 0.01 0.23 -0.20 -0.51 0.00 0.00 0.00 175.76 175.30 1nfg s LEU 258 N 0.07 2.49 0.23 0.00 1.43 0.07 -4.88 118.68 118.09 1nfg s LEU 258 Ca 0.13 -0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 52.16 1nfg s LEU 258 Cb -0.12 -0.98 0.01 0.00 0.03 0.00 0.00 46.19 45.12 1nfg s LEU 258 CO 0.02 0.02 0.51 0.00 0.23 0.00 0.00 176.35 177.12 1nfg s ALA 259 N -2.14 -0.55 0.31 4.21 0.00 -1.26 -0.53 121.76 121.81 1nfg s ALA 259 Ca 0.21 -0.62 -0.03 0.00 0.00 0.00 0.00 51.96 51.52 1nfg s ALA 259 Cb -0.06 0.96 -0.01 0.00 0.00 0.00 0.00 23.12 24.02 1nfg s ALA 259 CO 0.10 -0.85 0.43 -1.83 0.00 0.00 0.00 175.76 173.60 1nfg s GLU 260 N -3.96 1.77 0.31 0.00 -1.05 -0.99 -0.98 118.70 113.80 1nfg s GLU 260 Ca 0.17 -1.69 0.05 0.00 -0.15 0.00 0.00 54.97 53.35 1nfg s GLU 260 Cb -0.01 0.42 -0.03 0.00 -0.44 0.00 0.00 34.13 34.07 1nfg s GLU 260 CO 0.05 -0.72 0.23 0.99 0.95 0.00 0.00 175.26 176.76 1nfg s THR 261 N -3.34 0.07 -0.01 1.83 2.01 -1.12 -0.71 115.64 114.37 1nfg s THR 261 Ca 0.31 -2.00 0.02 0.00 0.31 0.00 0.00 61.69 60.33 1nfg s THR 261 Cb 0.01 -2.49 -0.01 0.00 0.01 0.00 0.00 72.50 70.02 1nfg s THR 261 CO 0.18 0.00 -0.08 0.00 -0.69 0.00 0.00 174.62 174.03 1nfg n THR 263 N 2.87 -0.22 0.33 0.00 -1.04 -0.98 0.51 114.28 115.76 1nfg n THR 263 Ca -0.13 0.80 0.21 0.00 -2.04 0.00 0.00 64.05 62.90 1nfg n THR 263 Cb 0.57 -1.01 1.17 0.00 -1.82 0.00 0.00 70.33 69.24 1nfg n THR 263 CO 0.00 0.00 0.00 1.12 -0.64 0.00 0.00 175.07 175.55 1nfg h HIS 264 N 0.00 0.00 0.00 -1.42 2.07 -1.89 -0.51 115.15 113.40 1nfg h HIS 264 Ca 0.07 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.59 1nfg h HIS 264 Cb 0.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.13 1nfg h HIS 264 CO -0.33 0.00 0.00 0.66 -3.07 0.00 0.00 177.93 175.19 1nfg n TYR 265 N -3.22 0.00 0.47 6.12 4.01 0.18 -0.58 117.16 124.14 1nfg n TYR 265 Ca -0.03 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.77 1nfg n TYR 265 Cb 0.07 -0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.14 1nfg n TYR 265 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1nfg n LEU 266 N -1.00 1.78 0.00 7.72 4.77 -0.20 -4.51 117.00 125.55 1nfg n LEU 266 Ca 0.24 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1nfg n LEU 266 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1nfg n LEU 266 CO 0.18 0.34 -0.08 -1.22 -1.33 0.00 0.00 177.39 175.28 1nfg n TYR 267 N 0.42 0.00 -3.97 -1.77 4.01 -1.03 -4.92 117.16 109.90 1nfg n TYR 267 Ca 0.06 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.55 1nfg n TYR 267 Cb 0.27 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.27 1nfg n TYR 267 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1nfg s LEU 268 N -1.48 4.27 0.11 7.72 1.43 0.26 -5.09 118.68 125.90 1nfg s LEU 268 Ca 0.00 0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 1nfg s LEU 268 Cb 0.00 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 1nfg s LEU 268 CO 0.00 0.02 -0.08 0.42 0.23 0.00 0.00 176.35 176.94 1nfg s THR 269 N -1.81 0.86 0.62 5.49 -4.23 -1.26 -4.21 115.64 111.10 1nfg s THR 269 Ca 0.34 -1.96 0.31 0.00 -1.18 0.00 0.00 61.69 59.20 1nfg s THR 269 Cb -0.10 -1.72 0.36 0.00 1.34 0.00 0.00 72.50 72.38 1nfg s THR 269 CO 0.28 -0.82 2.06 0.07 -0.54 0.00 0.00 174.62 175.67 1nfg h LYS 270 N 2.94 0.00 0.00 3.99 2.10 -0.70 0.36 116.57 125.25 1nfg h LYS 270 Ca -0.36 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.28 1nfg h LYS 270 Cb 1.17 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1nfg h LYS 270 CO 0.64 0.00 -0.05 0.93 -2.00 0.00 0.00 179.45 178.96 1nfg h GLU 271 N 0.00 0.00 0.00 0.07 3.07 -1.89 -1.24 114.58 114.59 1nfg h GLU 271 Ca 0.07 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.90 1nfg h GLU 271 Cb 0.58 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1nfg h GLU 271 CO -0.00 0.05 -0.16 -0.44 -1.40 0.00 0.00 179.01 177.06 1nfg h ASP 272 N 0.00 0.00 0.18 1.42 3.32 -0.68 -0.83 116.42 119.83 1nfg h ASP 272 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nfg h ASP 272 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1nfg h ASP 272 CO 0.01 0.16 0.00 0.18 -1.72 0.00 0.00 179.24 177.87 1nfg n LEU 273 N -3.86 0.00 -0.70 1.55 4.32 -0.47 -2.33 117.00 115.52 1nfg n LEU 273 Ca -0.02 0.12 0.10 0.00 -0.02 0.00 0.00 56.01 56.19 1nfg n LEU 273 Cb 0.26 -0.12 0.06 0.00 -1.62 0.00 0.00 43.42 42.00 1nfg n LEU 273 CO 0.33 -0.03 0.48 -0.62 -1.22 0.00 0.00 177.39 176.33 1nfg n GLU 274 N -1.12 1.72 -1.65 3.23 1.02 -0.32 -3.72 120.64 119.80 1nfg n GLU 274 Ca 0.15 -1.47 -0.45 0.00 -0.02 0.00 0.00 57.16 55.37 1nfg n GLU 274 Cb 0.12 -1.39 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 1nfg n GLU 274 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1nfg n ARG 275 N 0.78 1.80 -0.82 3.49 1.74 -0.98 -4.88 116.66 117.77 1nfg n ARG 275 Ca 0.11 0.64 -0.31 0.00 -0.77 0.00 0.00 57.85 57.51 1nfg n ARG 275 Cb 0.48 -2.19 0.16 0.00 -1.02 0.00 0.00 32.46 29.88 1nfg n ARG 275 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1nfg s PRO 276 N -1.02 1.16 -1.31 5.56 0.04 -1.26 -2.89 135.00 135.28 1nfg s PRO 276 Ca 0.64 1.40 -0.06 0.00 0.04 0.00 0.00 61.00 63.01 1nfg s PRO 276 Cb -0.67 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.13 1nfg s PRO 276 CO 0.55 -2.48 1.13 -0.25 0.04 0.00 0.00 177.00 175.99 1nfg n ASP 277 N -4.12 -5.11 -0.04 6.66 8.00 -1.26 -2.42 116.55 118.26 1nfg n ASP 277 Ca 0.11 -0.56 -0.01 0.00 0.71 0.00 0.00 54.79 55.04 1nfg n ASP 277 Cb 0.52 -5.07 -0.00 0.00 -0.02 0.00 0.00 41.12 36.56 1nfg n ASP 277 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1nfg n PHE 278 N -4.75 0.00 -0.08 1.24 7.35 -1.26 -4.83 117.46 115.13 1nfg n PHE 278 Ca -0.08 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.60 1nfg n PHE 278 Cb 0.59 -1.63 0.25 0.00 0.35 0.00 0.00 39.48 39.04 1nfg n PHE 278 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1nfg h GLU 279 N 0.20 0.70 -0.21 -4.13 4.39 -1.56 -1.92 114.58 112.05 1nfg h GLU 279 Ca -0.01 -0.13 0.06 0.00 0.34 0.00 0.00 59.36 59.62 1nfg h GLU 279 Cb 0.80 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1nfg h GLU 279 CO 0.02 0.64 0.39 0.78 -1.16 0.00 0.00 179.01 179.68 1nfg h GLY 280 N 0.89 0.00 1.63 -3.84 0.00 -1.68 0.82 103.07 100.89 1nfg h GLY 280 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.51 1nfg h GLY 280 CO -0.00 0.00 0.19 0.00 0.00 0.00 0.00 176.54 176.73 1nfg h ALA 281 N 1.41 1.92 -0.14 3.60 0.00 -1.62 -0.70 119.26 123.74 1nfg h ALA 281 Ca 0.10 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1nfg h ALA 281 Cb 0.88 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1nfg h ALA 281 CO -0.00 0.04 0.10 0.87 0.00 0.00 0.00 179.25 180.26 1nfg h LYS 282 N 0.28 0.06 -0.65 0.00 1.57 -1.02 -1.82 116.57 114.99 1nfg h LYS 282 Ca 0.12 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1nfg h LYS 282 Cb 0.13 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1nfg h LYS 282 CO -0.02 0.04 0.00 0.66 -0.57 0.00 0.00 179.45 179.55 1nfg n TYR 283 N -4.51 1.34 -2.76 -1.35 4.01 -0.27 -4.75 117.16 108.88 1nfg n TYR 283 Ca -0.00 -0.50 -0.43 0.00 -0.16 0.00 0.00 57.90 56.82 1nfg n TYR 283 Cb 0.18 -0.30 -0.03 0.00 -0.31 0.00 0.00 39.34 38.89 1nfg n TYR 283 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1nfg s VAL 284 N -2.02 4.37 0.24 -0.72 1.01 -0.69 -4.71 120.40 117.88 1nfg s VAL 284 Ca 0.40 -1.26 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1nfg s VAL 284 Cb 0.28 -4.92 -0.05 0.00 0.00 0.00 0.00 36.38 31.69 1nfg s VAL 284 CO 0.16 -1.71 0.01 0.72 0.00 0.00 0.00 175.10 174.27 1nfg s PHE 285 N 3.68 1.59 -0.02 5.22 -0.12 -1.26 -1.13 117.98 125.94 1nfg s PHE 285 Ca 0.39 -0.94 0.04 0.00 -0.05 0.00 0.00 56.93 56.37 1nfg s PHE 285 Cb -0.02 -0.93 -0.01 0.00 -0.63 0.00 0.00 43.02 41.43 1nfg s PHE 285 CO -0.09 -0.06 -0.15 0.99 -0.05 0.00 0.00 175.22 175.87 1nfg s THR 286 N -3.43 1.19 1.09 -4.49 2.01 -1.26 -3.40 115.64 107.35 1nfg s THR 286 Ca 0.30 -0.61 -0.12 0.00 0.31 0.00 0.00 61.69 61.56 1nfg s THR 286 Cb 0.06 -1.01 0.24 0.00 0.01 0.00 0.00 72.50 71.80 1nfg s THR 286 CO 0.10 0.34 1.06 -2.84 -0.69 0.00 0.00 174.62 172.59 1nfg s PRO 287 N -0.14 -0.34 0.72 4.92 0.02 -1.26 -5.01 135.00 133.92 1nfg s PRO 287 Ca 0.01 0.88 -0.15 0.00 0.02 0.00 0.00 61.00 61.76 1nfg s PRO 287 Cb -0.08 -1.62 0.03 0.00 0.02 0.00 0.00 34.50 32.86 1nfg s PRO 287 CO 0.00 -3.35 1.18 -2.14 -0.33 0.00 0.00 177.00 172.37 1nfg s PRO 288 N -4.59 2.25 0.34 5.54 0.02 -1.22 -4.95 135.00 132.38 1nfg s PRO 288 Ca 0.67 1.66 -0.29 0.00 0.02 0.00 0.00 61.00 63.07 1nfg s PRO 288 Cb -0.23 -1.86 -0.11 0.00 0.02 0.00 0.00 34.50 32.32 1nfg s PRO 288 CO 0.62 -1.73 1.48 0.00 -0.33 0.00 0.00 177.00 177.04 1nfg s ALA 289 N -2.10 3.61 0.00 -1.55 0.00 -1.26 -4.97 121.76 115.48 1nfg s ALA 289 Ca 0.72 1.51 0.00 0.00 0.00 0.00 0.00 51.96 54.19 1nfg s ALA 289 Cb -0.27 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.26 1nfg s ALA 289 CO 0.45 -0.95 0.00 0.54 0.00 0.00 0.00 175.76 175.80 1nfg n ARG 290 N 1.05 1.03 -4.47 0.00 5.12 -1.26 -2.97 116.66 115.17 1nfg n ARG 290 Ca 0.03 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.72 1nfg n ARG 290 Cb 0.39 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.59 1nfg n ARG 290 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1nfg s ALA 291 N -3.18 2.53 0.39 7.54 0.00 -1.26 -0.53 121.76 127.24 1nfg s ALA 291 Ca 0.00 -2.03 0.08 0.00 0.00 0.00 0.00 51.96 50.02 1nfg s ALA 291 Cb 0.00 0.30 0.84 0.00 0.00 0.00 0.00 23.12 24.27 1nfg s ALA 291 CO 0.00 -0.14 1.98 0.87 0.00 0.00 0.00 175.76 178.47 1nfg h LYS 292 N 2.13 0.61 0.00 0.00 1.57 -1.99 0.30 116.57 119.19 1nfg h LYS 292 Ca -0.41 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.31 1nfg h LYS 292 Cb 1.24 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 1nfg h LYS 292 CO 0.70 0.40 -0.11 1.57 -0.57 0.00 0.00 179.45 181.45 1nfg h LYS 293 N 0.62 0.00 -0.00 3.15 5.09 -2.00 0.99 116.57 124.42 1nfg h LYS 293 Ca 0.28 0.00 -0.15 0.00 0.09 0.00 0.00 60.65 60.87 1nfg h LYS 293 Cb 0.31 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.62 1nfg h LYS 293 CO -0.09 0.11 -0.73 -0.44 -2.09 0.00 0.00 179.45 176.21 1nfg h ASP 294 N 0.00 0.00 -0.39 7.07 3.32 -1.31 -1.96 116.42 123.16 1nfg h ASP 294 Ca -0.00 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1nfg h ASP 294 Cb 0.25 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1nfg h ASP 294 CO 0.01 0.74 0.20 0.45 -1.72 0.00 0.00 179.24 178.92 1nfg h HIS 295 N 0.00 0.56 -0.37 4.55 3.86 -0.57 0.03 115.15 123.21 1nfg h HIS 295 Ca -0.01 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 1nfg h HIS 295 Cb 1.30 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.58 1nfg h HIS 295 CO 0.00 0.45 0.11 -0.44 0.86 0.00 0.00 177.93 178.91 1nfg h ASP 296 N 0.50 0.54 -0.27 2.45 3.32 -1.30 0.06 116.42 121.72 1nfg h ASP 296 Ca 0.14 -0.21 0.05 0.00 0.02 0.00 0.00 57.03 57.03 1nfg h ASP 296 Cb 0.09 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.45 1nfg h ASP 296 CO -0.02 0.61 -0.05 0.58 -1.72 0.00 0.00 179.24 178.64 1nfg h VAL 297 N 0.44 0.74 -0.11 -1.35 2.07 -1.07 0.66 116.25 117.65 1nfg h VAL 297 Ca 0.12 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 1nfg h VAL 297 Cb 0.27 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1nfg h VAL 297 CO -0.00 0.00 0.03 -0.07 0.02 0.00 0.00 177.57 177.55 1nfg h LEU 298 N 0.02 0.16 -0.91 2.57 3.38 -0.79 -0.70 115.31 119.04 1nfg h LEU 298 Ca 0.13 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1nfg h LEU 298 Cb 0.19 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1nfg h LEU 298 CO -0.27 0.33 0.59 -0.50 0.09 0.00 0.00 178.44 178.69 1nfg h TRP 299 N -0.02 1.11 -0.66 1.13 4.06 -0.78 0.19 115.95 120.97 1nfg h TRP 299 Ca 0.03 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 60.97 1nfg h TRP 299 Cb 0.23 -0.37 -0.03 0.00 -1.00 0.00 0.00 29.16 27.99 1nfg h TRP 299 CO 0.00 0.65 0.26 -0.91 -3.56 0.00 0.00 178.44 174.88 1nfg h ASN 300 N 1.16 0.92 -0.84 -3.49 2.35 -0.67 -0.37 115.58 114.63 1nfg h ASN 300 Ca 0.36 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1nfg h ASN 300 Cb -0.02 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.07 1nfg h ASN 300 CO -0.11 0.84 0.43 0.00 -1.65 0.00 0.00 177.43 176.94 1nfg h ALA 301 N 1.11 1.17 0.39 -0.83 0.00 -0.19 -0.79 119.26 120.11 1nfg h ALA 301 Ca 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1nfg h ALA 301 Cb 0.21 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1nfg h ALA 301 CO -0.02 0.65 -0.19 -0.07 0.00 0.00 0.00 179.25 179.63 1nfg h LEU 302 N 1.20 -0.44 -2.01 0.00 4.07 0.01 -0.54 115.31 117.60 1nfg h LEU 302 Ca 0.30 -0.01 0.10 0.00 0.08 0.00 0.00 57.88 58.34 1nfg h LEU 302 Cb 0.07 0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 1nfg h LEU 302 CO -0.04 -0.28 0.25 -0.09 -1.08 0.00 0.00 178.44 177.20 1nfg h ARG 303 N -0.56 0.00 -0.06 1.13 2.43 -0.74 0.24 114.38 116.82 1nfg h ARG 303 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1nfg h ARG 303 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1nfg h ARG 303 CO 0.09 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 178.64 1nfg n ASN 304 N -4.39 1.33 -0.63 -3.80 3.02 -0.33 -4.94 115.26 105.52 1nfg n ASN 304 Ca 0.05 -1.52 -0.06 0.00 -0.03 0.00 0.00 54.58 53.02 1nfg n ASN 304 Cb 0.42 -0.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.55 1nfg n ASN 304 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nfg n GLY 305 N 1.12 0.39 0.09 7.41 0.00 0.84 -4.97 105.19 110.08 1nfg n GLY 305 Ca 0.18 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.40 1nfg n GLY 305 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nfg h VAL 306 N 0.00 1.19 -4.11 1.61 2.07 -1.30 -3.46 116.25 112.25 1nfg h VAL 306 Ca -0.14 -1.08 -0.45 0.00 0.82 0.00 0.00 66.70 65.84 1nfg h VAL 306 Cb 0.85 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1nfg h VAL 306 CO 0.18 0.26 0.35 -0.36 0.02 0.00 0.00 177.57 178.02 1nfg s PHE 307 N -4.11 3.37 -0.41 1.57 0.08 -1.26 -4.73 117.98 112.49 1nfg s PHE 307 Ca -0.15 1.55 0.23 0.00 0.12 0.00 0.00 56.93 58.68 1nfg s PHE 307 Cb 0.01 -2.82 0.29 0.00 -0.57 0.00 0.00 43.02 39.93 1nfg s PHE 307 CO 0.62 -0.22 1.49 0.93 -0.10 0.00 0.00 175.22 177.94 1nfg h GLU 308 N 1.49 0.00 -1.55 0.44 4.39 -1.39 -3.49 114.58 114.48 1nfg h GLU 308 Ca -0.48 0.00 0.40 0.00 0.34 0.00 0.00 59.36 59.62 1nfg h GLU 308 Cb 1.18 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.72 1nfg h GLU 308 CO 0.61 0.00 1.00 -0.08 -1.16 0.00 0.00 179.01 179.38 1nfg s THR 309 N -3.24 0.00 -0.35 1.13 -1.32 -1.26 -3.60 115.64 107.00 1nfg s THR 309 Ca 0.05 -0.02 0.02 0.00 -1.21 0.00 0.00 61.69 60.53 1nfg s THR 309 Cb 0.07 -2.51 0.11 0.00 -1.51 0.00 0.00 72.50 68.65 1nfg s THR 309 CO 0.69 0.00 0.10 -0.69 -2.21 0.00 0.00 174.62 172.51 1nfg s VAL 310 N -2.02 1.69 0.56 5.08 1.01 -1.23 -2.79 120.40 122.70 1nfg s VAL 310 Ca 0.24 -2.07 0.01 0.00 0.00 0.00 0.00 61.98 60.16 1nfg s VAL 310 Cb 0.04 -2.25 0.11 0.00 0.00 0.00 0.00 36.38 34.28 1nfg s VAL 310 CO -0.05 -0.67 0.76 -1.54 0.00 0.00 0.00 175.10 173.61 1nfg n SER 311 N 4.34 1.20 -0.06 3.32 3.41 -0.37 -4.76 113.62 120.70 1nfg n SER 311 Ca 0.02 -1.97 -0.07 0.00 -0.26 0.00 0.00 58.87 56.60 1nfg n SER 311 Cb 0.41 -0.48 -0.10 0.00 -0.26 0.00 0.00 64.21 63.78 1nfg n SER 311 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1nfg n SER 312 N -2.83 1.82 -3.61 4.04 3.41 -1.25 -2.32 113.62 112.88 1nfg n SER 312 Ca 0.13 -0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.52 1nfg n SER 312 Cb 0.47 0.80 0.06 0.00 -0.26 0.00 0.00 64.21 65.28 1nfg n SER 312 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1nfg n ASP 313 N -2.49 -3.12 -4.69 4.04 2.03 0.19 -4.77 116.55 107.74 1nfg n ASP 313 Ca -0.21 -0.68 -0.42 0.00 0.52 0.00 0.00 54.79 53.99 1nfg n ASP 313 Cb 0.92 -4.63 -0.03 0.00 -0.72 0.00 0.00 41.12 36.66 1nfg n ASP 313 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1nfg s HIS 314 N -3.43 2.24 0.15 -0.67 5.65 -1.19 -4.53 115.29 113.51 1nfg s HIS 314 Ca 0.22 0.14 0.03 0.00 0.25 0.00 0.00 55.06 55.70 1nfg s HIS 314 Cb -0.10 -4.06 -0.04 0.00 -1.18 0.00 0.00 32.58 27.19 1nfg s HIS 314 CO 0.77 -4.35 -0.05 0.00 -0.65 0.00 0.00 174.74 170.45 1nfg s SER 316 N -3.15 2.63 -0.35 0.00 1.04 -1.26 -2.22 113.70 110.40 1nfg s SER 316 Ca 0.18 -2.61 -0.01 0.00 0.48 0.00 0.00 55.95 54.00 1nfg s SER 316 Cb 0.05 -0.55 0.08 0.00 0.10 0.00 0.00 66.02 65.70 1nfg s SER 316 CO 0.01 -0.25 0.08 0.26 0.98 0.00 0.00 173.24 174.32 1nfg s TRP 317 N 0.53 3.48 0.14 5.02 0.23 -1.26 -0.89 118.94 126.19 1nfg s TRP 317 Ca 0.23 -2.30 -0.33 0.00 -2.03 0.00 0.00 56.10 51.67 1nfg s TRP 317 Cb -0.14 -2.68 -0.17 0.00 0.03 0.00 0.00 33.47 30.52 1nfg s TRP 317 CO -0.07 -0.90 0.97 1.28 0.96 0.00 0.00 176.95 179.20 1nfg n LEU 318 N 4.54 0.48 -0.32 2.99 4.77 -1.26 -4.45 117.00 123.74 1nfg n LEU 318 Ca -0.06 1.14 -0.04 0.00 -0.03 0.00 0.00 56.01 57.02 1nfg n LEU 318 Cb 0.42 -1.08 0.08 0.00 -2.33 0.00 0.00 43.42 40.51 1nfg n LEU 318 CO 0.28 -1.87 1.14 0.15 -1.33 0.00 0.00 177.39 175.76 1nfg h PHE 319 N 2.63 1.23 0.00 -1.77 3.57 -1.95 0.21 116.94 120.86 1nfg h PHE 319 Ca -0.41 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1nfg h PHE 319 Cb 1.39 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1nfg h PHE 319 CO 0.51 0.87 -0.08 -0.22 -2.23 0.00 0.00 178.31 177.17 1nfg h LYS 320 N 1.23 0.00 -0.54 1.11 3.64 -1.95 -3.09 116.57 116.97 1nfg h LYS 320 Ca 0.30 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.76 1nfg h LYS 320 Cb 0.07 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.83 1nfg h LYS 320 CO -0.04 0.00 0.21 0.78 -2.27 0.00 0.00 179.45 178.13 1nfg h GLY 321 N -0.50 0.74 0.00 5.01 0.00 -1.95 -3.28 103.07 103.09 1nfg h GLY 321 Ca 0.00 -0.12 -0.40 0.00 0.00 0.00 0.00 47.33 46.80 1nfg h GLY 321 CO 0.00 0.02 -2.34 1.42 0.00 0.00 0.00 176.54 175.64 1nfg n HIS 322 N -4.97 0.00 0.08 5.60 8.25 -0.22 -4.54 115.22 119.41 1nfg n HIS 322 Ca 0.06 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.67 1nfg n HIS 322 Cb 0.21 -0.86 0.65 0.00 1.12 0.00 0.00 29.99 31.11 1nfg n HIS 322 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1nfg h LYS 323 N -0.85 0.05 -0.89 -0.41 1.79 -0.72 -2.73 116.57 112.82 1nfg h LYS 323 Ca -0.61 -0.00 0.21 0.00 -2.18 0.00 0.00 60.65 58.07 1nfg h LYS 323 Cb 1.54 -0.01 -0.12 0.00 -1.58 0.00 0.00 32.23 32.05 1nfg h LYS 323 CO -0.37 0.04 0.38 -0.44 -1.08 0.00 0.00 179.45 177.98 1nfg h ASP 324 N 0.05 0.32 0.00 0.86 3.32 -1.60 -3.16 116.42 116.22 1nfg h ASP 324 Ca 0.17 0.15 -0.49 0.00 0.02 0.00 0.00 57.03 56.88 1nfg h ASP 324 Cb 0.61 0.13 0.03 0.00 0.22 0.00 0.00 39.33 40.32 1nfg h ASP 324 CO -0.01 0.01 2.45 -2.11 -1.72 0.00 0.00 179.24 177.86 1nfg n ARG 325 N -5.04 1.80 0.00 3.56 1.85 -1.03 -1.96 116.66 115.84 1nfg n ARG 325 Ca 0.21 -1.62 0.00 0.00 -1.00 0.00 0.00 57.85 55.45 1nfg n ARG 325 Cb 0.63 -2.65 0.00 0.00 -1.05 0.00 0.00 32.46 29.39 1nfg n ARG 325 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nfg n GLY 326 N 4.10 0.00 0.00 2.89 0.00 -1.19 -3.34 105.19 107.65 1nfg n GLY 326 Ca 0.46 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.51 1nfg n GLY 326 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfg n ARG 327 N 0.00 0.06 0.00 1.61 1.74 -0.83 -1.76 116.66 117.48 1nfg n ARG 327 Ca 0.00 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 1nfg n ARG 327 Cb 0.00 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 1nfg n ARG 327 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1nfg n ASN 328 N -1.38 0.74 -3.12 0.55 3.02 -1.26 -4.98 115.26 108.83 1nfg n ASN 328 Ca 0.03 -1.31 0.04 0.00 -0.03 0.00 0.00 54.58 53.31 1nfg n ASN 328 Cb 0.06 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.23 1nfg n ASN 328 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1nfg s ASP 329 N -0.31 -0.97 0.57 6.41 -1.08 -0.72 -4.85 116.67 115.71 1nfg s ASP 329 Ca 0.00 -0.00 0.33 0.00 -0.52 0.00 0.00 52.55 52.36 1nfg s ASP 329 Cb 0.00 1.53 1.45 0.00 -1.46 0.00 0.00 42.92 44.44 1nfg s ASP 329 CO 0.00 -0.16 1.76 2.19 0.52 0.00 0.00 175.17 179.48 1nfg h PHE 330 N 7.32 0.00 -0.03 -5.34 -5.15 -1.39 0.17 116.94 112.52 1nfg h PHE 330 Ca -0.04 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.67 1nfg h PHE 330 Cb 1.19 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.35 1nfg h PHE 330 CO 0.04 0.00 -0.24 0.00 -2.00 0.00 0.00 178.31 176.11 1nfg h ARG 331 N 0.00 0.05 0.00 6.09 3.08 -1.89 -2.49 114.38 119.22 1nfg h ARG 331 Ca 0.45 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.49 1nfg h ARG 331 Cb 2.05 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.09 1nfg h ARG 331 CO -0.00 0.29 -0.05 0.00 -1.07 0.00 0.00 179.97 179.13 1nfg n ALA 332 N -2.49 2.39 -2.12 0.04 0.00 0.59 -4.80 120.51 114.13 1nfg n ALA 332 Ca -0.02 -0.09 -0.43 0.00 0.00 0.00 0.00 53.44 52.91 1nfg n ALA 332 Cb 0.31 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1nfg n ALA 332 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1nfg s ILE 333 N -3.05 3.72 0.16 0.00 1.01 -0.94 -4.61 121.20 117.50 1nfg s ILE 333 Ca 0.12 0.84 -0.31 0.00 0.00 0.00 0.00 60.65 61.30 1nfg s ILE 333 Cb 0.16 -3.67 -0.11 0.00 0.01 0.00 0.00 42.46 38.85 1nfg s ILE 333 CO 0.57 -0.22 1.77 -2.16 0.00 0.00 0.00 174.94 174.90 1nfg s PRO 334 N 4.41 4.13 0.25 2.79 0.04 -1.26 -4.93 135.00 140.43 1nfg s PRO 334 Ca 0.70 2.59 -0.30 0.00 0.04 0.00 0.00 61.00 64.04 1nfg s PRO 334 Cb -0.27 -3.36 -0.09 0.00 0.04 0.00 0.00 34.50 30.82 1nfg s PRO 334 CO 0.28 -0.80 1.14 -0.80 0.04 0.00 0.00 177.00 176.86 1nfg s ASN 335 N 2.01 7.19 0.00 6.66 0.02 -1.26 -4.90 114.94 124.66 1nfg s ASN 335 Ca 0.78 2.27 0.00 0.00 -1.02 0.00 0.00 52.86 54.89 1nfg s ASN 335 Cb -0.47 -2.62 0.00 0.00 0.02 0.00 0.00 41.25 38.18 1nfg s ASN 335 CO 0.34 -0.24 0.00 0.61 0.02 0.00 0.00 177.10 177.84 1nfg n GLY 336 N 1.52 4.23 3.04 0.66 0.00 -0.28 -4.92 105.19 109.44 1nfg n GLY 336 Ca 0.01 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.52 1nfg n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfg s ALA 337 N -2.00 0.04 0.52 4.61 0.00 -1.26 -4.69 121.76 118.97 1nfg s ALA 337 Ca 0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 51.96 51.28 1nfg s ALA 337 Cb 0.00 0.17 -0.06 0.00 0.00 0.00 0.00 23.12 23.23 1nfg s ALA 337 CO 0.00 -0.22 0.94 -1.25 0.00 0.00 0.00 175.76 175.23 1nfg s PRO 338 N -1.89 3.79 0.00 0.00 0.04 -0.94 -1.69 135.00 134.31 1nfg s PRO 338 Ca -0.12 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.67 1nfg s PRO 338 Cb -0.06 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1nfg s PRO 338 CO -0.02 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1nfg n GLY 339 N -1.89 0.00 0.34 0.56 0.00 -1.26 -4.32 105.19 98.61 1nfg n GLY 339 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1nfg n GLY 339 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1nfg h VAL 340 N 0.00 0.89 0.20 1.61 3.04 -1.92 -1.55 116.25 118.52 1nfg h VAL 340 Ca 0.00 -0.07 -0.28 0.00 -1.01 0.00 0.00 66.70 65.34 1nfg h VAL 340 Cb 0.00 0.66 0.03 0.00 -2.01 0.00 0.00 31.29 29.97 1nfg h VAL 340 CO 0.00 0.04 -1.24 -0.08 -1.01 0.00 0.00 177.57 175.27 1nfg h GLU 341 N 0.21 0.42 0.00 4.17 4.81 -1.89 -3.35 114.58 118.96 1nfg h GLU 341 Ca 0.20 -0.72 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1nfg h GLU 341 Cb 0.50 0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1nfg h GLU 341 CO -0.03 1.35 0.00 0.93 -0.73 0.00 0.00 179.01 180.52 1nfg h GLU 342 N -0.08 0.00 -0.48 1.92 3.07 -1.83 -3.39 114.58 113.80 1nfg h GLU 342 Ca -0.22 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.68 1nfg h GLU 342 Cb 1.94 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.79 1nfg h GLU 342 CO 0.21 0.00 -0.28 -2.13 -1.40 0.00 0.00 179.01 175.41 1nfg n ARG 343 N -2.80 -0.21 0.07 2.33 0.63 -0.61 -1.43 116.66 114.63 1nfg n ARG 343 Ca 0.03 1.14 -0.11 0.00 -0.92 0.00 0.00 57.85 57.99 1nfg n ARG 343 Cb 0.42 -1.69 -0.05 0.00 0.45 0.00 0.00 32.46 31.59 1nfg n ARG 343 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1nfg h LEU 344 N 0.00 -0.47 -0.50 6.15 3.38 -1.78 -0.75 115.31 121.34 1nfg h LEU 344 Ca 0.08 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.19 1nfg h LEU 344 Cb 0.20 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1nfg h LEU 344 CO -0.45 -0.23 0.13 0.24 0.09 0.00 0.00 178.44 178.23 1nfg h MET 345 N -0.29 0.28 -0.27 1.13 2.86 -1.72 0.31 114.93 117.23 1nfg h MET 345 Ca 0.04 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1nfg h MET 345 Cb 0.34 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1nfg h MET 345 CO -0.14 0.18 0.15 0.52 1.06 0.00 0.00 176.91 178.68 1nfg h MET 346 N 0.29 0.38 -0.50 1.72 2.86 -0.98 -2.05 114.93 116.65 1nfg h MET 346 Ca 0.24 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.76 1nfg h MET 346 Cb 0.30 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1nfg h MET 346 CO -0.29 0.33 -0.02 0.28 1.06 0.00 0.00 176.91 178.27 1nfg h VAL 347 N 0.32 1.25 -0.04 -2.22 2.07 -0.72 -2.69 116.25 114.24 1nfg h VAL 347 Ca 0.09 -1.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 1nfg h VAL 347 Cb 0.07 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1nfg h VAL 347 CO -0.01 0.38 -0.01 0.22 0.02 0.00 0.00 177.57 178.17 1nfg h TYR 348 N 0.79 0.05 0.00 1.57 3.20 -0.03 -0.57 116.97 121.99 1nfg h TYR 348 Ca 0.15 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 1nfg h TYR 348 Cb 0.51 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 1nfg h TYR 348 CO 0.03 0.06 -0.00 1.96 -1.64 0.00 0.00 178.16 178.56 1nfg h GLN 349 N 0.05 0.00 0.00 1.82 1.08 -1.02 0.21 115.11 117.24 1nfg h GLN 349 Ca 0.01 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.14 1nfg h GLN 349 Cb 0.05 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 1nfg h GLN 349 CO 0.00 0.00 -0.34 0.78 -0.95 0.00 0.00 178.83 178.33 1nfg h GLY 350 N 0.09 0.00 1.97 3.46 0.00 -1.22 -1.96 103.07 105.41 1nfg h GLY 350 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 1nfg h GLY 350 CO 0.00 0.00 -0.92 -0.39 0.00 0.00 0.00 176.54 175.23 1nfg h VAL 351 N 0.00 1.63 -0.28 4.60 -1.51 -1.03 -0.46 116.25 119.20 1nfg h VAL 351 Ca -0.00 -3.07 -0.06 0.00 -1.23 0.00 0.00 66.70 62.33 1nfg h VAL 351 Cb 0.71 2.67 -0.02 0.00 -2.13 0.00 0.00 31.29 32.53 1nfg h VAL 351 CO 0.04 0.88 -0.09 0.78 -1.23 0.00 0.00 177.57 177.96 1nfg h ASN 352 N 0.01 0.44 -0.58 4.19 -0.26 -1.22 -2.88 115.58 115.28 1nfg h ASN 352 Ca -0.02 -0.10 -0.02 0.00 -0.56 0.00 0.00 56.30 55.60 1nfg h ASN 352 Cb 1.62 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 38.75 1nfg h ASN 352 CO 0.12 0.57 0.03 -0.62 -1.06 0.00 0.00 177.43 176.47 1nfg n GLU 353 N -4.24 4.68 -0.65 0.81 1.02 -0.87 -4.92 120.64 116.48 1nfg n GLU 353 Ca 0.01 -3.15 0.00 0.00 -0.02 0.00 0.00 57.16 54.00 1nfg n GLU 353 Cb 0.29 -2.24 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 1nfg n GLU 353 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nfg n GLY 354 N 0.47 0.27 0.36 0.62 0.00 -1.09 -4.81 105.19 101.01 1nfg n GLY 354 Ca 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.28 1nfg n GLY 354 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nfg h ARG 355 N 0.80 1.25 -4.12 1.61 2.47 -1.39 -3.44 114.38 111.56 1nfg h ARG 355 Ca 0.00 -0.10 -0.16 0.00 -1.26 0.00 0.00 59.98 58.46 1nfg h ARG 355 Cb 0.03 -0.27 -0.19 0.00 -1.65 0.00 0.00 29.97 27.89 1nfg h ARG 355 CO 0.00 0.86 -0.69 -1.50 0.56 0.00 0.00 179.97 179.20 1nfg s ILE 356 N -6.01 0.18 0.69 2.04 1.10 -0.68 -4.57 121.20 113.96 1nfg s ILE 356 Ca -0.13 -1.28 -0.10 0.00 -0.51 0.00 0.00 60.65 58.63 1nfg s ILE 356 Cb 0.17 -0.78 0.02 0.00 0.15 0.00 0.00 42.46 42.02 1nfg s ILE 356 CO 0.82 -0.69 1.06 -0.94 -2.11 0.00 0.00 174.94 173.07 1nfg s SER 357 N -2.05 5.40 0.22 4.50 1.04 -1.26 -3.72 113.70 117.84 1nfg s SER 357 Ca -0.07 0.99 -0.07 0.00 0.48 0.00 0.00 55.95 57.29 1nfg s SER 357 Cb -0.03 -1.81 0.19 0.00 0.10 0.00 0.00 66.02 64.47 1nfg s SER 357 CO -0.04 -1.32 1.81 0.25 0.98 0.00 0.00 173.24 174.91 1nfg h LEU 358 N -0.57 1.11 -0.69 2.42 5.85 -1.97 -1.69 115.31 119.76 1nfg h LEU 358 Ca -0.45 -0.15 -0.14 0.00 0.84 0.00 0.00 57.88 57.98 1nfg h LEU 358 Cb 1.26 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 1nfg h LEU 358 CO 0.63 0.95 -0.56 0.74 -0.34 0.00 0.00 178.44 179.86 1nfg h THR 359 N 1.19 1.36 -0.04 1.05 2.02 -1.88 -2.98 112.91 113.65 1nfg h THR 359 Ca 0.28 -1.87 -0.14 0.00 0.77 0.00 0.00 66.41 65.45 1nfg h THR 359 Cb 0.16 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1nfg h THR 359 CO -0.03 0.56 -0.63 1.56 0.37 0.00 0.00 175.52 177.35 1nfg h GLN 360 N 0.21 0.14 -0.32 6.66 4.20 -1.75 -2.86 115.11 121.39 1nfg h GLN 360 Ca 0.00 -0.10 0.07 0.00 0.06 0.00 0.00 58.65 58.68 1nfg h GLN 360 Cb 1.05 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.77 1nfg h GLN 360 CO 0.09 0.72 -0.19 0.35 -0.67 0.00 0.00 178.83 179.13 1nfg h PHE 361 N 0.10 -0.48 -0.58 2.96 3.57 -1.15 0.59 116.94 121.95 1nfg h PHE 361 Ca -0.01 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 1nfg h PHE 361 Cb 1.13 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 40.10 1nfg h PHE 361 CO 0.01 -0.27 0.22 0.28 -2.23 0.00 0.00 178.31 176.33 1nfg h VAL 362 N -0.15 1.23 -0.10 1.41 2.07 -1.58 0.14 116.25 119.27 1nfg h VAL 362 Ca 0.17 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 66.99 1nfg h VAL 362 Cb 0.40 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1nfg h VAL 362 CO -0.41 0.28 -0.16 -0.08 0.02 0.00 0.00 177.57 177.22 1nfg h GLU 363 N 0.80 -0.20 -0.17 1.57 4.81 -1.07 -0.20 114.58 120.12 1nfg h GLU 363 Ca 0.19 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.32 1nfg h GLU 363 Cb 0.22 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1nfg h GLU 363 CO -0.01 -0.14 -0.35 -0.07 -0.73 0.00 0.00 179.01 177.71 1nfg h LEU 364 N -0.21 0.61 -0.89 1.64 3.38 -0.79 0.58 115.31 119.63 1nfg h LEU 364 Ca 0.08 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 1nfg h LEU 364 Cb 0.33 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1nfg h LEU 364 CO -0.22 1.05 -0.02 0.58 0.09 0.00 0.00 178.44 179.92 1nfg h VAL 365 N 0.19 0.05 0.00 1.22 2.07 -0.68 -3.26 116.25 115.84 1nfg h VAL 365 Ca 0.00 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1nfg h VAL 365 Cb 0.95 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1nfg h VAL 365 CO 0.08 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.69 1nfg n ALA 366 N -2.10 1.11 -0.10 1.67 0.00 -0.18 -1.68 120.51 119.24 1nfg n ALA 366 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.35 1nfg n ALA 366 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 1nfg n ALA 366 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1nfg h THR 367 N 0.00 1.23 -0.43 0.00 2.02 -1.20 -2.68 112.91 111.86 1nfg h THR 367 Ca 0.00 -0.78 -0.07 0.00 0.77 0.00 0.00 66.41 66.33 1nfg h THR 367 Cb 0.00 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 1nfg h THR 367 CO 0.00 0.25 -0.03 -0.09 0.37 0.00 0.00 175.52 176.03 1nfg h ARG 368 N 0.30 0.77 -0.32 6.66 2.43 -0.05 -2.29 114.38 121.88 1nfg h ARG 368 Ca 0.09 -0.26 0.02 0.00 -0.81 0.00 0.00 59.98 59.02 1nfg h ARG 368 Cb 0.33 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1nfg h ARG 368 CO 0.00 0.86 0.18 -1.35 -1.51 0.00 0.00 179.97 178.15 1nfg h PRO 369 N 0.60 0.35 -0.73 0.20 0.11 -1.62 -1.31 132.00 129.61 1nfg h PRO 369 Ca 0.12 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 66.29 1nfg h PRO 369 Cb 0.53 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 31.49 1nfg h PRO 369 CO 0.03 0.23 0.39 0.00 -0.21 0.00 0.00 178.00 178.44 1nfg h ALA 370 N 1.15 1.01 0.45 -0.75 0.00 -1.43 -0.39 119.26 119.31 1nfg h ALA 370 Ca 0.13 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1nfg h ALA 370 Cb 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1nfg h ALA 370 CO -0.07 0.00 -0.22 0.87 0.00 0.00 0.00 179.25 179.84 1nfg h LYS 371 N 0.66 -0.59 -0.10 0.00 1.57 -0.79 -0.51 116.57 116.82 1nfg h LYS 371 Ca 0.35 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.20 1nfg h LYS 371 Cb 0.34 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1nfg h LYS 371 CO -0.25 -0.35 -0.07 0.28 -0.57 0.00 0.00 179.45 178.49 1nfg h VAL 372 N -0.70 0.78 -0.36 0.50 2.07 -0.85 -2.98 116.25 114.72 1nfg h VAL 372 Ca -0.06 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.28 1nfg h VAL 372 Cb 0.51 0.78 -0.11 0.00 -1.52 0.00 0.00 31.29 30.96 1nfg h VAL 372 CO 0.10 0.00 0.23 0.49 0.02 0.00 0.00 177.57 178.41 1nfg n PHE 373 N -5.21 1.11 -3.70 1.57 3.72 -0.19 -4.31 117.46 110.44 1nfg n PHE 373 Ca -0.04 -0.95 -0.22 0.00 -0.05 0.00 0.00 57.45 56.19 1nfg n PHE 373 Cb 0.13 -0.49 0.03 0.00 -0.94 0.00 0.00 39.48 38.21 1nfg n PHE 373 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nfg n GLY 374 N -0.08 -0.35 0.00 1.37 0.00 -1.13 -4.37 105.19 100.63 1nfg n GLY 374 Ca 0.21 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1nfg n GLY 374 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nfg n MET 375 N -4.24 0.91 -3.87 1.61 2.81 -0.21 -0.83 117.12 113.29 1nfg n MET 375 Ca -0.28 -0.78 -0.37 0.00 -1.81 0.00 0.00 57.70 54.46 1nfg n MET 375 Cb 0.67 -0.75 -0.06 0.00 -0.71 0.00 0.00 33.22 32.38 1nfg n MET 375 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1nfg s PHE 376 N -0.35 3.60 -2.11 2.03 2.19 -1.13 0.52 117.98 122.74 1nfg s PHE 376 Ca 0.00 0.54 0.17 0.00 0.33 0.00 0.00 56.93 57.98 1nfg s PHE 376 Cb 0.00 -1.95 0.49 0.00 -1.31 0.00 0.00 43.02 40.25 1nfg s PHE 376 CO 0.00 0.74 1.40 -0.35 1.83 0.00 0.00 175.22 178.84 1nfg n PRO 377 N 1.96 2.13 -0.29 10.12 -0.04 -1.26 -4.90 135.00 142.71 1nfg n PRO 377 Ca -0.20 -1.74 0.04 0.00 -0.04 0.00 0.00 63.50 61.57 1nfg n PRO 377 Cb 0.55 -1.41 0.19 0.00 -0.04 0.00 0.00 33.50 32.79 1nfg n PRO 377 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1nfg h GLN 378 N 2.99 0.68 -5.89 0.54 4.15 -1.81 -3.42 115.11 112.35 1nfg h GLN 378 Ca 0.00 -0.04 -0.61 0.00 0.77 0.00 0.00 58.65 58.76 1nfg h GLN 378 Cb 0.68 -0.15 -0.13 0.00 0.21 0.00 0.00 27.48 28.09 1nfg h GLN 378 CO 0.00 0.45 -0.65 0.15 -1.93 0.00 0.00 178.83 176.85 1nfg s LYS 379 N -6.01 1.91 0.00 1.69 -0.14 0.18 -1.33 119.74 116.04 1nfg s LYS 379 Ca -0.12 -1.94 0.00 0.00 -1.36 0.00 0.00 55.97 52.55 1nfg s LYS 379 Cb 0.20 -1.74 0.00 0.00 -1.68 0.00 0.00 37.83 34.61 1nfg s LYS 379 CO 0.78 0.09 0.00 0.41 -0.76 0.00 0.00 175.35 175.87 1nfg n GLY 380 N -0.87 2.91 0.00 -3.33 0.00 -1.26 -4.13 105.19 98.51 1nfg n GLY 380 Ca -0.05 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1nfg n GLY 380 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nfg n THR 381 N 0.00 0.00 -3.60 2.61 -2.24 -1.26 -3.42 114.28 106.36 1nfg n THR 381 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1nfg n THR 381 Cb 0.00 -0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 1nfg n THR 381 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1nfg s ILE 382 N 1.43 0.51 0.22 2.28 1.01 -1.26 -4.70 121.20 120.69 1nfg s ILE 382 Ca 0.00 -1.52 -0.06 0.00 0.00 0.00 0.00 60.65 59.08 1nfg s ILE 382 Cb 0.00 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 1nfg s ILE 382 CO 0.00 -0.82 0.26 0.00 0.00 0.00 0.00 174.94 174.39 1nfg s ALA 383 N 1.37 0.62 -0.10 9.38 0.00 -1.26 -4.98 121.76 126.79 1nfg s ALA 383 Ca 0.13 -1.38 -0.29 0.00 0.00 0.00 0.00 51.96 50.42 1nfg s ALA 383 Cb -0.20 1.26 -0.04 0.00 0.00 0.00 0.00 23.12 24.14 1nfg s ALA 383 CO -0.16 -0.69 1.50 0.08 0.00 0.00 0.00 175.76 176.48 1nfg s VAL 384 N -4.10 3.86 0.00 0.00 1.01 -1.26 -1.83 120.40 118.08 1nfg s VAL 384 Ca 0.32 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.35 1nfg s VAL 384 Cb 0.04 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1nfg s VAL 384 CO 0.11 -0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.73 1nfg n GLY 385 N 3.92 1.96 3.78 4.51 0.00 -0.14 -5.02 105.19 114.20 1nfg n GLY 385 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1nfg n GLY 385 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nfg s SER 386 N -1.83 5.66 0.57 1.61 0.01 -0.76 -4.78 113.70 114.18 1nfg s SER 386 Ca 0.00 2.03 -0.19 0.00 1.31 0.00 0.00 55.95 59.10 1nfg s SER 386 Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 1nfg s SER 386 CO 0.00 -1.25 1.19 -1.81 0.41 0.00 0.00 173.24 171.78 1nfg s ASP 387 N -2.19 5.37 -1.54 2.44 1.11 -0.44 -1.61 116.67 119.82 1nfg s ASP 387 Ca 0.69 2.34 -0.10 0.00 0.18 0.00 0.00 52.55 55.66 1nfg s ASP 387 Cb -0.20 -2.60 -0.02 0.00 1.07 0.00 0.00 42.92 41.17 1nfg s ASP 387 CO 0.31 -1.46 2.71 0.00 1.18 0.00 0.00 175.17 177.91 1nfg n ALA 388 N -1.44 7.04 -2.63 5.23 0.00 0.13 -4.67 120.51 124.17 1nfg n ALA 388 Ca 0.13 -3.71 -0.43 0.00 0.00 0.00 0.00 53.44 49.42 1nfg n ALA 388 Cb 0.50 -3.29 -0.07 0.00 0.00 0.00 0.00 19.45 16.59 1nfg n ALA 388 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1nfg s ASP 389 N 1.99 6.24 0.06 0.00 1.11 -1.26 -1.90 116.67 122.91 1nfg s ASP 389 Ca 0.62 -0.70 0.03 0.00 0.18 0.00 0.00 52.55 52.69 1nfg s ASP 389 Cb 0.17 -2.28 -0.03 0.00 1.07 0.00 0.00 42.92 41.85 1nfg s ASP 389 CO -0.07 -0.79 -0.10 -0.63 1.18 0.00 0.00 175.17 174.77 1nfg s ILE 390 N 2.57 0.74 -0.08 0.77 1.01 0.14 -1.19 121.20 125.16 1nfg s ILE 390 Ca 0.16 -1.28 0.01 0.00 0.00 0.00 0.00 60.65 59.54 1nfg s ILE 390 Cb -0.17 -0.91 0.02 0.00 0.01 0.00 0.00 42.46 41.41 1nfg s ILE 390 CO 0.14 -0.41 -0.10 -0.69 0.00 0.00 0.00 174.94 173.88 1nfg s VAL 391 N -1.68 1.08 -0.46 2.92 1.01 -0.50 -0.80 120.40 121.96 1nfg s VAL 391 Ca -0.04 -0.39 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 1nfg s VAL 391 Cb -0.08 -1.03 0.05 0.00 0.00 0.00 0.00 36.38 35.32 1nfg s VAL 391 CO 0.00 0.36 0.41 -0.76 0.00 0.00 0.00 175.10 175.11 1nfg s LEU 392 N 1.09 5.31 -0.11 3.92 1.43 -0.51 -1.10 118.68 128.71 1nfg s LEU 392 Ca -0.07 -1.08 -0.13 0.00 -1.03 0.00 0.00 54.13 51.83 1nfg s LEU 392 Cb -0.14 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 1nfg s LEU 392 CO -0.01 -0.63 0.29 0.86 0.23 0.00 0.00 176.35 177.09 1nfg s TRP 393 N 1.85 3.56 -0.55 0.29 -0.11 0.19 -0.95 118.94 123.23 1nfg s TRP 393 Ca 0.07 0.69 -0.11 0.00 1.22 0.00 0.00 56.10 57.97 1nfg s TRP 393 Cb -0.21 -2.24 0.14 0.00 -1.50 0.00 0.00 33.47 29.65 1nfg s TRP 393 CO 0.09 0.45 0.45 0.34 -4.62 0.00 0.00 176.95 173.66 1nfg s ASP 394 N -0.26 5.93 0.63 5.86 -1.08 -0.75 -0.24 116.67 126.76 1nfg s ASP 394 Ca 0.18 -2.05 0.39 0.00 -0.52 0.00 0.00 52.55 50.56 1nfg s ASP 394 Cb -0.14 -2.08 2.12 0.00 -1.46 0.00 0.00 42.92 41.36 1nfg s ASP 394 CO 0.06 -0.70 2.28 1.55 0.52 0.00 0.00 175.17 178.89 1nfg h PRO 395 N 8.38 0.00 0.00 4.34 0.13 -1.86 -2.39 132.00 140.60 1nfg h PRO 395 Ca -0.18 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.92 1nfg h PRO 395 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1nfg h PRO 395 CO 0.89 0.01 -1.45 0.39 -0.23 0.00 0.00 178.00 177.60 1nfg n GLU 396 N -3.28 0.63 -1.68 0.86 -0.58 -1.26 -3.64 120.64 111.69 1nfg n GLU 396 Ca -0.02 0.02 -0.45 0.00 -0.42 0.00 0.00 57.16 56.28 1nfg n GLU 396 Cb 0.11 -1.71 -0.04 0.00 -0.57 0.00 0.00 31.44 29.24 1nfg n GLU 396 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1nfg n ALA 397 N -2.25 1.54 -2.67 0.62 0.00 -1.09 -4.68 120.51 111.97 1nfg n ALA 397 Ca -0.04 0.35 -0.31 0.00 0.00 0.00 0.00 53.44 53.44 1nfg n ALA 397 Cb 0.61 -2.48 -0.09 0.00 0.00 0.00 0.00 19.45 17.50 1nfg n ALA 397 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nfg s GLU 398 N 2.43 2.63 -0.09 0.00 2.02 -1.26 0.18 118.70 124.61 1nfg s GLU 398 Ca 0.84 -0.74 -0.30 0.00 0.02 0.00 0.00 54.97 54.79 1nfg s GLU 398 Cb -0.61 -2.58 0.11 0.00 0.10 0.00 0.00 34.13 31.15 1nfg s GLU 398 CO 0.41 0.58 0.93 1.41 0.02 0.00 0.00 175.26 178.61 1nfg s MET 399 N -1.88 0.73 -0.19 1.61 -2.45 -0.48 -5.00 119.30 111.64 1nfg s MET 399 Ca 0.22 -0.03 -0.07 0.00 -1.25 0.00 0.00 55.69 54.55 1nfg s MET 399 Cb -0.12 0.34 -0.04 0.00 1.25 0.00 0.00 34.83 36.27 1nfg s MET 399 CO 0.13 -0.27 0.06 0.08 1.05 0.00 0.00 175.02 176.07 1nfg s VAL 400 N -1.97 4.68 -0.21 10.11 1.01 -1.26 -0.14 120.40 132.63 1nfg s VAL 400 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.62 1nfg s VAL 400 Cb -0.01 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1nfg s VAL 400 CO -0.02 0.44 1.37 -0.63 0.00 0.00 0.00 175.10 176.26 1nfg s ILE 401 N 0.58 4.07 -0.04 2.22 1.01 0.03 -4.93 121.20 124.14 1nfg s ILE 401 Ca 0.03 1.26 0.03 0.00 0.00 0.00 0.00 60.65 61.97 1nfg s ILE 401 Cb -0.13 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.40 1nfg s ILE 401 CO 0.01 -0.26 -0.11 -1.61 0.00 0.00 0.00 174.94 172.97 1nfg s GLU 402 N 3.95 1.27 0.50 2.79 2.02 -1.26 -0.88 118.70 127.09 1nfg s GLU 402 Ca 0.60 -0.38 0.18 0.00 0.02 0.00 0.00 54.97 55.39 1nfg s GLU 402 Cb -0.22 -1.13 1.23 0.00 0.10 0.00 0.00 34.13 34.11 1nfg s GLU 402 CO 0.21 0.11 2.06 0.37 0.02 0.00 0.00 175.26 178.03 1nfg h GLN 403 N 6.52 0.12 0.00 1.61 5.75 -1.94 0.95 115.11 128.13 1nfg h GLN 403 Ca -0.33 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 1nfg h GLN 403 Cb 1.17 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.70 1nfg h GLN 403 CO 0.48 0.08 0.00 1.79 -2.65 0.00 0.00 178.83 178.53 1nfg h THR 404 N 0.12 0.00 -0.01 2.39 1.35 -1.96 -1.23 112.91 113.57 1nfg h THR 404 Ca 0.15 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 1nfg h THR 404 Cb 0.44 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1nfg h THR 404 CO -0.02 0.00 -0.37 0.00 -0.25 0.00 0.00 175.52 174.88 1nfg n ALA 405 N -2.07 3.28 -1.78 6.62 0.00 0.31 -4.98 120.51 121.88 1nfg n ALA 405 Ca -0.02 -0.57 -0.29 0.00 0.00 0.00 0.00 53.44 52.56 1nfg n ALA 405 Cb 0.13 -0.63 0.14 0.00 0.00 0.00 0.00 19.45 19.08 1nfg n ALA 405 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1nfg s MET 406 N -2.06 1.19 -0.17 0.00 1.00 -0.47 -5.01 119.30 113.79 1nfg s MET 406 Ca 0.15 -0.02 0.14 0.00 0.00 0.00 0.00 55.69 55.96 1nfg s MET 406 Cb 0.14 -1.87 0.36 0.00 0.00 0.00 0.00 34.83 33.46 1nfg s MET 406 CO 0.45 -2.10 1.19 0.72 0.00 0.00 0.00 175.02 175.27 1nfg n HIS 407 N -3.64 0.00 -3.53 -0.03 8.25 -1.26 -5.04 115.22 109.97 1nfg n HIS 407 Ca 0.10 -1.25 0.00 0.00 -0.26 0.00 0.00 57.72 56.31 1nfg n HIS 407 Cb 0.60 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.50 1nfg n HIS 407 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1nfg n ASN 408 N -1.18 1.28 -1.54 0.41 6.94 -1.26 -3.93 115.26 115.98 1nfg n ASN 408 Ca 0.17 -0.89 0.08 0.00 -0.02 0.00 0.00 54.58 53.92 1nfg n ASN 408 Cb 0.68 0.00 0.34 0.00 -2.36 0.00 0.00 39.78 38.44 1nfg n ASN 408 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1nfg n ALA 409 N -3.00 3.16 -2.08 -2.53 0.00 -1.26 -4.99 120.51 109.81 1nfg n ALA 409 Ca 0.00 -1.50 -0.29 0.00 0.00 0.00 0.00 53.44 51.65 1nfg n ALA 409 Cb 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 19.45 18.42 1nfg n ALA 409 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1nfg s MET 410 N -1.94 3.50 -0.00 0.00 -1.94 -1.26 -4.75 119.30 112.91 1nfg s MET 410 Ca 0.48 0.42 0.23 0.00 -1.71 0.00 0.00 55.69 55.10 1nfg s MET 410 Cb 0.32 -2.24 0.66 0.00 2.01 0.00 0.00 34.83 35.58 1nfg s MET 410 CO 0.22 -0.41 1.55 -0.40 -0.01 0.00 0.00 175.02 175.96 1nfg n ASP 411 N -2.51 3.99 -3.61 3.03 5.75 -1.26 -4.98 116.55 116.97 1nfg n ASP 411 Ca 0.03 -2.02 -0.06 0.00 -0.01 0.00 0.00 54.79 52.73 1nfg n ASP 411 Cb 0.55 -0.50 -0.02 0.00 -1.03 0.00 0.00 41.12 40.12 1nfg n ASP 411 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1nfg s TYR 412 N -1.05 -0.24 0.02 2.11 1.13 -1.26 -4.89 117.35 113.17 1nfg s TYR 412 Ca 0.49 0.04 0.09 0.00 -1.41 0.00 0.00 57.07 56.28 1nfg s TYR 412 Cb 0.26 0.58 -0.03 0.00 -1.10 0.00 0.00 41.96 41.67 1nfg s TYR 412 CO 0.33 -0.64 -0.25 0.45 -2.51 0.00 0.00 175.55 172.93 1nfg s SER 413 N -2.68 3.03 0.37 -0.18 0.15 -1.26 -4.91 113.70 108.22 1nfg s SER 413 Ca 0.08 -0.54 0.27 0.00 0.70 0.00 0.00 55.95 56.47 1nfg s SER 413 Cb -0.01 -0.29 1.07 0.00 -1.71 0.00 0.00 66.02 65.08 1nfg s SER 413 CO -0.04 0.27 1.81 0.28 1.20 0.00 0.00 173.24 176.75 1nfg h SER 414 N 5.04 0.00 -0.13 5.45 0.02 -1.96 -2.92 113.55 119.05 1nfg h SER 414 Ca -0.45 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.43 1nfg h SER 414 Cb 1.14 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.64 1nfg h SER 414 CO 0.45 0.00 -0.34 -1.22 -1.14 0.00 0.00 176.83 174.58 1nfg n TYR 415 N -2.58 0.42 -1.70 3.45 4.01 -1.26 -5.04 117.16 114.46 1nfg n TYR 415 Ca 0.02 -1.55 -0.42 0.00 -0.16 0.00 0.00 57.90 55.79 1nfg n TYR 415 Cb 0.29 -0.34 -0.03 0.00 -0.31 0.00 0.00 39.34 38.94 1nfg n TYR 415 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1nfg n GLU 416 N -1.12 2.78 0.00 -0.72 4.07 -1.10 -1.99 120.64 122.54 1nfg n GLU 416 Ca 0.25 1.01 0.00 0.00 -0.06 0.00 0.00 57.16 58.35 1nfg n GLU 416 Cb 0.82 -2.88 0.00 0.00 -0.06 0.00 0.00 31.44 29.32 1nfg n GLU 416 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1nfg n GLY 417 N 4.13 2.29 3.72 8.31 0.00 -0.05 -5.02 105.19 118.57 1nfg n GLY 417 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1nfg n GLY 417 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nfg s HIS 418 N -2.44 3.25 -0.10 1.61 3.76 -0.84 -4.72 115.29 115.80 1nfg s HIS 418 Ca 0.00 1.03 -0.20 0.00 -0.15 0.00 0.00 55.06 55.74 1nfg s HIS 418 Cb 0.00 -3.66 -0.04 0.00 1.11 0.00 0.00 32.58 29.99 1nfg s HIS 418 CO 0.00 -2.24 0.54 0.15 -0.85 0.00 0.00 174.74 172.34 1nfg s LYS 419 N 0.76 4.37 0.16 1.40 1.02 -1.26 -0.79 119.74 125.40 1nfg s LYS 419 Ca 0.62 0.57 0.08 0.00 0.02 0.00 0.00 55.97 57.26 1nfg s LYS 419 Cb -0.37 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.46 1nfg s LYS 419 CO 0.33 0.14 -0.16 0.14 -0.92 0.00 0.00 175.35 174.87 1nfg s VAL 420 N 0.66 1.69 -0.18 3.17 -7.23 0.80 -4.98 120.40 114.32 1nfg s VAL 420 Ca 0.29 -1.94 -0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1nfg s VAL 420 Cb -0.16 -1.82 0.04 0.00 0.56 0.00 0.00 36.38 35.01 1nfg s VAL 420 CO 0.12 -0.40 -0.06 -0.75 -0.31 0.00 0.00 175.10 173.70 1nfg s LYS 421 N -2.96 1.61 0.00 4.82 2.20 -1.26 -1.38 119.74 122.76 1nfg s LYS 421 Ca 0.16 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 55.11 1nfg s LYS 421 Cb -0.04 -2.19 0.00 0.00 -1.51 0.00 0.00 37.83 34.09 1nfg s LYS 421 CO 0.06 -0.45 0.00 0.41 -0.36 0.00 0.00 175.35 175.01 1nfg n GLY 422 N 4.80 1.88 3.20 5.54 0.00 0.13 -4.77 105.19 115.97 1nfg n GLY 422 Ca -0.13 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.83 1nfg n GLY 422 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nfg s VAL 423 N 0.00 1.41 0.17 1.61 1.01 -0.92 -4.79 120.40 118.89 1nfg s VAL 423 Ca 0.00 -1.14 -0.30 0.00 0.00 0.00 0.00 61.98 60.54 1nfg s VAL 423 Cb 0.00 -1.25 -0.08 0.00 0.00 0.00 0.00 36.38 35.05 1nfg s VAL 423 CO 0.00 0.08 1.21 -2.84 0.00 0.00 0.00 175.10 173.55 1nfg s PRO 424 N -1.24 4.47 -0.10 2.72 0.02 -1.26 -1.80 135.00 137.80 1nfg s PRO 424 Ca 0.04 1.88 -0.09 0.00 0.02 0.00 0.00 61.00 62.85 1nfg s PRO 424 Cb -0.09 -3.25 -0.05 0.00 0.02 0.00 0.00 34.50 31.14 1nfg s PRO 424 CO 0.02 -0.13 -0.20 1.63 -0.33 0.00 0.00 177.00 177.99 1nfg n LYS 425 N 2.69 0.32 -4.23 5.54 4.76 -0.12 -4.73 118.16 122.39 1nfg n LYS 425 Ca 0.05 0.13 -0.17 0.00 -2.87 0.00 0.00 58.31 55.46 1nfg n LYS 425 Cb 0.45 -1.05 -0.14 0.00 -1.84 0.00 0.00 35.03 32.44 1nfg n LYS 425 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1nfg s THR 426 N -2.42 0.51 -0.01 -0.18 -4.23 -1.23 -0.00 115.64 108.08 1nfg s THR 426 Ca -0.19 -0.30 0.07 0.00 -1.18 0.00 0.00 61.69 60.09 1nfg s THR 426 Cb 0.05 -0.44 -0.02 0.00 1.34 0.00 0.00 72.50 73.43 1nfg s THR 426 CO 0.26 0.13 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.56 1nfg s VAL 427 N -0.18 1.79 -0.06 2.29 1.01 0.63 -1.43 120.40 124.45 1nfg s VAL 427 Ca 0.02 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.05 1nfg s VAL 427 Cb -0.03 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 1nfg s VAL 427 CO -0.00 0.46 -0.24 -0.76 0.00 0.00 0.00 175.10 174.56 1nfg s LEU 428 N -0.64 2.06 -0.28 3.92 1.02 0.02 -0.22 118.68 124.55 1nfg s LEU 428 Ca 0.09 -0.50 -0.00 0.00 0.02 0.00 0.00 54.13 53.73 1nfg s LEU 428 Cb -0.09 -1.34 0.05 0.00 0.02 0.00 0.00 46.19 44.83 1nfg s LEU 428 CO -0.00 0.24 -0.05 -0.22 0.02 0.00 0.00 176.35 176.34 1nfg s LEU 429 N -0.15 3.61 -1.48 1.79 2.96 0.80 -0.68 118.68 125.53 1nfg s LEU 429 Ca -0.04 -1.22 -0.03 0.00 -0.22 0.00 0.00 54.13 52.62 1nfg s LEU 429 Cb -0.14 -1.65 0.03 0.00 0.50 0.00 0.00 46.19 44.93 1nfg s LEU 429 CO 0.04 -0.21 0.39 0.54 -1.32 0.00 0.00 176.35 175.79 1nfg n ARG 430 N 4.58 -2.82 0.00 1.98 1.74 -0.88 -1.39 116.66 119.87 1nfg n ARG 430 Ca -0.14 0.34 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 1nfg n ARG 430 Cb 0.44 -4.44 0.00 0.00 -1.02 0.00 0.00 32.46 27.44 1nfg n ARG 430 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nfg n GLY 431 N -2.00 2.86 3.76 -0.13 0.00 -0.80 -3.66 105.19 105.22 1nfg n GLY 431 Ca -0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 1nfg n GLY 431 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nfg s LYS 432 N -0.08 4.48 -0.33 1.61 2.20 -0.48 -4.94 119.74 122.20 1nfg s LYS 432 Ca 0.00 1.04 -0.29 0.00 -0.36 0.00 0.00 55.97 56.36 1nfg s LYS 432 Cb 0.00 -3.33 0.01 0.00 -1.51 0.00 0.00 37.83 33.00 1nfg s LYS 432 CO 0.00 0.37 1.14 0.08 -0.36 0.00 0.00 175.35 176.58 1nfg s VAL 433 N -0.34 4.38 -0.26 4.02 1.01 -1.26 -0.14 120.40 127.80 1nfg s VAL 433 Ca 0.37 1.57 0.13 0.00 0.00 0.00 0.00 61.98 64.04 1nfg s VAL 433 Cb -0.21 -4.37 -0.17 0.00 0.00 0.00 0.00 36.38 31.63 1nfg s VAL 433 CO 0.23 -0.53 0.39 2.30 0.00 0.00 0.00 175.10 177.49 1nfg n ILE 434 N 6.05 0.00 -3.86 2.22 -5.35 0.69 -4.61 119.36 114.50 1nfg n ILE 434 Ca 0.13 -0.26 -0.21 0.00 -0.27 0.00 0.00 62.75 62.14 1nfg n ILE 434 Cb 0.47 0.55 -0.17 0.00 -1.74 0.00 0.00 39.64 38.75 1nfg n ILE 434 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1nfg s VAL 435 N -2.58 0.33 -0.18 7.28 1.01 -0.99 0.22 120.40 125.49 1nfg s VAL 435 Ca -0.01 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1nfg s VAL 435 Cb 0.09 -0.46 0.02 0.00 0.00 0.00 0.00 36.38 36.02 1nfg s VAL 435 CO 0.53 0.23 -0.20 -0.62 0.00 0.00 0.00 175.10 175.04 1nfg s ASP 436 N 1.63 3.16 -1.72 3.32 -1.08 -0.30 -0.27 116.67 121.40 1nfg s ASP 436 Ca -0.01 -0.64 -0.17 0.00 -0.52 0.00 0.00 52.55 51.21 1nfg s ASP 436 Cb -0.13 -1.49 0.17 0.00 -1.46 0.00 0.00 42.92 40.02 1nfg s ASP 436 CO -0.03 0.00 0.43 -0.62 0.52 0.00 0.00 175.17 175.47 1nfg n GLU 437 N 4.59 -0.78 -0.04 4.34 -0.58 -0.88 -0.55 120.64 126.75 1nfg n GLU 437 Ca -0.21 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1nfg n GLU 437 Cb 0.50 -4.23 0.00 0.00 -0.57 0.00 0.00 31.44 27.14 1nfg n GLU 437 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nfg n GLY 438 N -1.42 0.58 3.46 0.62 0.00 1.00 -4.99 105.19 104.44 1nfg n GLY 438 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1nfg n GLY 438 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nfg s SER 439 N -2.51 4.72 0.08 1.61 0.01 0.29 -5.07 113.70 112.83 1nfg s SER 439 Ca 0.00 -0.18 -0.31 0.00 1.31 0.00 0.00 55.95 56.77 1nfg s SER 439 Cb 0.00 -1.78 -0.08 0.00 0.21 0.00 0.00 66.02 64.37 1nfg s SER 439 CO 0.00 0.12 1.59 -0.47 0.41 0.00 0.00 173.24 174.89 1nfg s TYR 440 N 0.64 2.63 -0.06 2.43 5.04 -1.26 -1.15 117.35 125.62 1nfg s TYR 440 Ca -0.02 0.48 0.20 0.00 -2.44 0.00 0.00 57.07 55.29 1nfg s TYR 440 Cb -0.14 -3.90 0.40 0.00 0.35 0.00 0.00 41.96 38.67 1nfg s TYR 440 CO 0.02 -3.49 1.17 1.33 -1.34 0.00 0.00 175.55 173.24 1nfg n VAL 441 N 4.56 0.63 -3.16 3.14 0.24 0.13 -4.93 118.33 118.94 1nfg n VAL 441 Ca 0.15 -1.56 -0.02 0.00 -2.04 0.00 0.00 64.34 60.86 1nfg n VAL 441 Cb 0.41 0.61 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 1nfg n VAL 441 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nfg n GLY 442 N -0.01 2.26 3.20 7.63 0.00 -1.10 -4.77 105.19 112.41 1nfg n GLY 442 Ca 0.09 -2.15 -0.26 0.00 0.00 0.00 0.00 46.02 43.70 1nfg n GLY 442 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nfg s GLU 443 N -2.23 1.59 0.00 1.61 0.41 -1.26 -5.00 118.70 113.82 1nfg s GLU 443 Ca 0.05 -0.71 0.03 0.00 -0.41 0.00 0.00 54.97 53.93 1nfg s GLU 443 Cb -0.00 -1.54 0.19 0.00 -1.78 0.00 0.00 34.13 31.00 1nfg s GLU 443 CO 0.03 0.42 0.77 -0.35 -0.49 0.00 0.00 175.26 175.64 1nfg n PRO 444 N 2.57 0.09 0.00 0.39 -0.04 -1.26 -0.33 135.00 136.41 1nfg n PRO 444 Ca -0.15 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.52 1nfg n PRO 444 Cb 0.53 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.55 1nfg n PRO 444 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1nfg n THR 445 N -1.10 0.00 -0.08 0.52 5.66 -1.26 -1.26 114.28 116.75 1nfg n THR 445 Ca 0.02 -0.29 -0.13 0.00 -3.05 0.00 0.00 64.05 60.60 1nfg n THR 445 Cb 0.02 1.20 -0.05 0.00 -1.55 0.00 0.00 70.33 69.95 1nfg n THR 445 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1nfg h ASP 446 N 2.72 0.65 -3.63 1.09 3.32 -0.79 -3.46 116.42 116.31 1nfg h ASP 446 Ca 0.00 -0.47 -0.53 0.00 0.02 0.00 0.00 57.03 56.05 1nfg h ASP 446 Cb 0.77 -0.18 0.08 0.00 0.22 0.00 0.00 39.33 40.22 1nfg h ASP 446 CO 0.00 0.98 0.77 -0.83 -1.72 0.00 0.00 179.24 178.44 1nfg s GLY 447 N -3.60 2.59 0.11 2.75 0.00 0.21 -4.84 107.32 104.54 1nfg s GLY 447 Ca -0.13 1.44 0.07 0.00 0.00 0.00 0.00 44.72 46.10 1nfg s GLY 447 CO 0.81 2.26 -0.17 0.54 0.00 0.00 0.00 173.10 176.54 1nfg s LYS 448 N -1.19 1.06 0.49 2.90 -0.14 -1.26 -4.68 119.74 116.92 1nfg s LYS 448 Ca 0.56 -1.18 -0.21 0.00 -1.36 0.00 0.00 55.97 53.78 1nfg s LYS 448 Cb -0.44 -1.13 -0.08 0.00 -1.68 0.00 0.00 37.83 34.50 1nfg s LYS 448 CO 0.52 0.24 1.08 0.12 -0.76 0.00 0.00 175.35 176.56 1nfg s PHE 449 N -1.60 2.90 -0.20 3.18 5.36 -1.26 -1.43 117.98 124.94 1nfg s PHE 449 Ca 0.07 1.57 0.01 0.00 -0.96 0.00 0.00 56.93 57.61 1nfg s PHE 449 Cb -0.08 -3.18 0.02 0.00 -0.34 0.00 0.00 43.02 39.44 1nfg s PHE 449 CO 0.04 -1.13 -0.17 -0.51 -1.46 0.00 0.00 175.22 171.99 1nfg s LEU 450 N -3.44 2.39 -0.62 6.12 1.43 0.94 -4.85 118.68 120.64 1nfg s LEU 450 Ca 0.68 -0.71 -0.28 0.00 -1.03 0.00 0.00 54.13 52.78 1nfg s LEU 450 Cb -0.21 -1.52 0.03 0.00 0.03 0.00 0.00 46.19 44.52 1nfg s LEU 450 CO 0.25 -0.03 1.24 -0.54 0.23 0.00 0.00 176.35 177.50 1nfg s LYS 451 N 1.29 3.40 0.49 1.70 1.02 -1.26 -4.62 119.74 121.76 1nfg s LYS 451 Ca 0.03 0.13 -0.18 0.00 0.02 0.00 0.00 55.97 55.97 1nfg s LYS 451 Cb -0.14 -4.07 -0.09 0.00 -0.52 0.00 0.00 37.83 33.01 1nfg s LYS 451 CO -0.11 -1.84 0.98 1.03 -0.92 0.00 0.00 175.35 174.49 1nfg s ARG 452 N 5.24 3.99 0.66 1.68 0.52 -0.71 -4.90 118.95 125.42 1nfg s ARG 452 Ca 0.42 1.07 -0.11 0.00 -0.52 0.00 0.00 55.73 56.59 1nfg s ARG 452 Cb -0.08 -2.14 -0.02 0.00 0.52 0.00 0.00 34.95 33.23 1nfg s ARG 452 CO 0.22 -0.24 1.05 0.50 0.02 0.00 0.00 175.30 176.85 1nfg s ARG 453 N -3.67 3.29 0.00 3.54 3.52 -0.01 -4.48 118.95 121.14 1nfg s ARG 453 Ca 0.61 0.80 0.00 0.00 -0.13 0.00 0.00 55.73 57.01 1nfg s ARG 453 Cb -0.11 -2.04 0.00 0.00 -1.56 0.00 0.00 34.95 31.24 1nfg s ARG 453 CO 0.24 -0.81 0.00 1.63 -0.81 0.00 0.00 175.30 175.55 1nfg n LYS 454 N -2.91 2.98 -1.11 5.12 5.02 -1.26 -4.34 118.16 121.65 1nfg n LYS 454 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1nfg n LYS 454 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 1nfg n LYS 454 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1nfg n TYR 455 N 0.00 0.00 -3.20 2.13 4.19 0.23 -4.69 117.16 115.82 1nfg n TYR 455 Ca 0.00 0.00 -0.30 0.00 3.31 0.00 0.00 57.90 60.91 1nfg n TYR 455 Cb 0.00 0.00 -0.04 0.00 0.49 0.00 0.00 39.34 39.79 1nfg n TYR 455 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 1nfg s LYS 456 N -0.58 3.75 0.00 2.98 1.02 -1.26 -5.00 119.74 120.66 1nfg s LYS 456 Ca 0.00 0.27 0.00 0.00 0.02 0.00 0.00 55.97 56.26 1nfg s LYS 456 Cb 0.00 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 1nfg s LYS 456 CO 0.00 0.16 0.00 0.94 -0.92 0.00 0.00 175.35 175.53