#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xa1 s ASN 8 N 0.00 5.62 0.10 7.72 0.01 -1.26 -4.84 114.94 122.28 1xa1 s ASN 8 Ca 0.00 -0.34 -0.31 0.00 -0.71 0.00 0.00 52.86 51.50 1xa1 s ASN 8 Cb 0.00 -0.73 -0.07 0.00 0.41 0.00 0.00 41.25 40.85 1xa1 s ASN 8 CO 0.00 -0.80 1.37 -0.47 -1.51 0.00 0.00 177.10 175.68 1xa1 s TYR 9 N -2.41 3.23 0.00 2.20 5.04 -0.69 -4.90 117.35 119.81 1xa1 s TYR 9 Ca 0.55 0.98 0.00 0.00 -2.44 0.00 0.00 57.07 56.16 1xa1 s TYR 9 Cb -0.10 -3.65 0.00 0.00 0.35 0.00 0.00 41.96 38.56 1xa1 s TYR 9 CO 0.34 -2.25 0.01 1.63 -1.34 0.00 0.00 175.55 173.94 1xa1 n LYS 10 N 4.09 3.67 -2.12 4.97 5.02 -1.26 -4.86 118.16 127.67 1xa1 n LYS 10 Ca 0.11 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.98 1xa1 n LYS 10 Cb 0.43 -0.28 -0.03 0.00 -0.02 0.00 0.00 35.03 35.13 1xa1 n LYS 10 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1xa1 s LYS 11 N -0.53 4.28 0.68 1.97 1.02 -1.26 -4.99 119.74 120.92 1xa1 s LYS 11 Ca 0.00 2.12 -0.13 0.00 0.02 0.00 0.00 55.97 57.99 1xa1 s LYS 11 Cb 0.00 -3.36 0.01 0.00 -0.52 0.00 0.00 37.83 33.95 1xa1 s LYS 11 CO 0.00 -0.53 1.08 -1.25 -0.92 0.00 0.00 175.35 173.72 1xa1 s PRO 12 N 1.64 2.83 0.71 -1.68 0.04 -1.26 -5.04 135.00 132.24 1xa1 s PRO 12 Ca 0.66 1.16 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 1xa1 s PRO 12 Cb -0.37 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.22 1xa1 s PRO 12 CO 0.30 -1.20 1.09 -0.51 0.04 0.00 0.00 177.00 176.72 1xa1 s LEU 13 N -5.25 2.89 0.11 -3.56 1.43 -1.26 -4.99 118.68 108.05 1xa1 s LEU 13 Ca 0.62 1.18 -0.20 0.00 -1.03 0.00 0.00 54.13 54.70 1xa1 s LEU 13 Cb -0.17 -3.97 -0.08 0.00 0.03 0.00 0.00 46.19 42.00 1xa1 s LEU 13 CO 0.48 -1.39 1.76 -0.74 0.23 0.00 0.00 176.35 176.69 1xa1 h HIS 14 N -0.69 0.14 -2.13 0.29 -0.00 -1.96 -3.45 115.15 107.36 1xa1 h HIS 14 Ca -0.45 0.01 -0.59 0.00 -0.00 0.00 0.00 60.37 59.34 1xa1 h HIS 14 Cb 1.25 -0.04 -0.12 0.00 -0.00 0.00 0.00 27.41 28.50 1xa1 h HIS 14 CO 0.51 0.08 -0.69 -0.80 -0.00 0.00 0.00 177.93 177.03 1xa1 s ASN 15 N -5.30 4.02 0.25 3.26 0.01 -1.26 -5.10 114.94 110.82 1xa1 s ASN 15 Ca -0.13 -0.91 -0.31 0.00 -0.71 0.00 0.00 52.86 50.79 1xa1 s ASN 15 Cb 0.08 -0.52 -0.12 0.00 0.41 0.00 0.00 41.25 41.10 1xa1 s ASN 15 CO 0.68 -0.05 1.60 0.47 -1.51 0.00 0.00 177.10 178.29 1xa1 n ASP 16 N -0.79 3.65 -4.83 -1.22 8.00 -1.26 -4.91 116.55 115.20 1xa1 n ASP 16 Ca -0.05 1.12 -0.34 0.00 0.71 0.00 0.00 54.79 56.23 1xa1 n ASP 16 Cb 0.60 -1.55 -0.06 0.00 -0.02 0.00 0.00 41.12 40.09 1xa1 n ASP 16 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1xa1 s TYR 17 N 0.37 3.41 -0.17 1.24 -0.85 -1.26 -4.69 117.35 115.40 1xa1 s TYR 17 Ca 0.69 1.44 -0.22 0.00 -0.52 0.00 0.00 57.07 58.46 1xa1 s TYR 17 Cb -0.54 -2.70 -0.03 0.00 0.38 0.00 0.00 41.96 39.07 1xa1 s TYR 17 CO 0.44 0.06 0.67 -1.14 -1.52 0.00 0.00 175.55 174.05 1xa1 s GLN 18 N -2.85 4.26 0.11 -3.49 0.74 -0.05 -4.96 119.66 113.41 1xa1 s GLN 18 Ca 0.55 0.71 -0.31 0.00 0.05 0.00 0.00 55.36 56.37 1xa1 s GLN 18 Cb -0.11 -3.55 -0.07 0.00 1.10 0.00 0.00 33.01 30.37 1xa1 s GLN 18 CO 0.17 -0.20 1.30 0.42 -0.55 0.00 0.00 175.29 176.43 1xa1 s ILE 19 N 1.76 3.57 0.13 -2.34 1.01 -1.26 -1.28 121.20 122.79 1xa1 s ILE 19 Ca 0.31 1.15 0.07 0.00 0.00 0.00 0.00 60.65 62.18 1xa1 s ILE 19 Cb -0.16 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 1xa1 s ILE 19 CO 0.12 0.10 -0.04 -0.76 0.00 0.00 0.00 174.94 174.35 1xa1 s LEU 20 N 0.91 3.22 -0.37 2.97 1.43 -0.04 -4.86 118.68 121.95 1xa1 s LEU 20 Ca 0.61 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 1xa1 s LEU 20 Cb -0.34 -1.94 0.11 0.00 0.03 0.00 0.00 46.19 44.05 1xa1 s LEU 20 CO 0.31 0.14 0.12 -0.62 0.23 0.00 0.00 176.35 176.52 1xa1 s ASP 21 N -2.55 4.33 -0.35 2.29 3.68 -1.26 -4.31 116.67 118.50 1xa1 s ASP 21 Ca 0.25 -2.16 0.07 0.00 2.13 0.00 0.00 52.55 52.83 1xa1 s ASP 21 Cb -0.10 -1.31 0.53 0.00 -1.45 0.00 0.00 42.92 40.58 1xa1 s ASP 21 CO 0.17 -0.36 1.57 0.29 0.13 0.00 0.00 175.17 176.96 1xa1 n LYS 22 N 4.20 2.12 -0.28 4.34 4.76 -1.26 -4.73 118.16 127.32 1xa1 n LYS 22 Ca 0.03 -3.26 0.03 0.00 -2.87 0.00 0.00 58.31 52.23 1xa1 n LYS 22 Cb 0.40 -1.96 0.16 0.00 -1.84 0.00 0.00 35.03 31.79 1xa1 n LYS 22 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1xa1 h SER 23 N 1.18 0.60 -0.45 4.39 4.64 -1.98 -1.63 113.55 120.31 1xa1 h SER 23 Ca 0.34 0.05 0.01 0.00 -0.47 0.00 0.00 61.79 61.72 1xa1 h SER 23 Cb 1.79 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.80 1xa1 h SER 23 CO 0.64 0.34 0.29 0.50 -0.87 0.00 0.00 176.83 177.73 1xa1 h LYS 24 N 0.73 0.58 -0.21 4.77 3.64 -1.94 -0.84 116.57 123.29 1xa1 h LYS 24 Ca 0.39 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.54 1xa1 h LYS 24 Cb 0.38 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1xa1 h LYS 24 CO -0.26 0.38 -0.65 0.82 -2.27 0.00 0.00 179.45 177.48 1xa1 h ILE 25 N 0.60 1.29 -0.33 2.00 2.04 -1.87 -3.03 117.51 118.21 1xa1 h ILE 25 Ca 0.17 -1.86 -0.04 0.00 1.00 0.00 0.00 64.86 64.12 1xa1 h ILE 25 Cb -0.06 1.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1xa1 h ILE 25 CO -0.04 0.59 0.02 -0.26 0.00 0.00 0.00 178.15 178.46 1xa1 h PHE 26 N 0.57 0.51 0.00 1.37 0.04 -1.16 -3.47 116.94 114.80 1xa1 h PHE 26 Ca -0.01 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1xa1 h PHE 26 Cb 1.25 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.25 1xa1 h PHE 26 CO 0.07 0.49 0.00 0.41 -0.60 0.00 0.00 178.31 178.69 1xa1 n GLY 27 N -0.95 3.39 0.09 -1.45 0.00 -0.33 -0.84 105.19 105.10 1xa1 n GLY 27 Ca 0.01 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1xa1 n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xa1 n SER 28 N 4.68 0.26 -4.85 1.61 3.41 -1.26 -4.78 113.62 112.69 1xa1 n SER 28 Ca 0.00 -1.27 -0.34 0.00 -0.26 0.00 0.00 58.87 57.00 1xa1 n SER 28 Cb 0.00 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 1xa1 n SER 28 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1xa1 s ASN 29 N -1.80 6.81 0.23 4.04 0.01 -0.02 -4.24 114.94 119.97 1xa1 s ASN 29 Ca 0.38 1.13 0.11 0.00 -0.71 0.00 0.00 52.86 53.78 1xa1 s ASN 29 Cb 0.18 -2.31 -0.05 0.00 0.41 0.00 0.00 41.25 39.48 1xa1 s ASN 29 CO 0.30 -0.01 -0.22 -0.44 -1.51 0.00 0.00 177.10 175.22 1xa1 s SER 30 N -1.97 3.45 0.00 -1.22 0.01 -0.60 -4.85 113.70 108.53 1xa1 s SER 30 Ca 0.44 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1xa1 s SER 30 Cb -0.13 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.83 1xa1 s SER 30 CO 0.20 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.53 1xa1 n GLY 31 N -0.12 0.21 3.31 3.44 0.00 -1.26 -1.30 105.19 109.47 1xa1 n GLY 31 Ca -0.09 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.63 1xa1 n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xa1 s SER 32 N -4.00 0.05 -0.01 1.61 1.04 -0.34 -4.77 113.70 107.27 1xa1 s SER 32 Ca 0.00 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1xa1 s SER 32 Cb 0.00 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.55 1xa1 s SER 32 CO 0.00 -0.86 -0.00 0.12 0.98 0.00 0.00 173.24 173.48 1xa1 s PHE 33 N -3.95 0.17 -0.02 5.02 5.36 -1.06 -1.64 117.98 121.85 1xa1 s PHE 33 Ca 0.15 0.01 0.02 0.00 -0.96 0.00 0.00 56.93 56.16 1xa1 s PHE 33 Cb 0.04 -0.21 0.00 0.00 -0.34 0.00 0.00 43.02 42.51 1xa1 s PHE 33 CO -0.02 -0.06 -0.09 0.08 -1.46 0.00 0.00 175.22 173.67 1xa1 s VAL 34 N 0.49 0.78 0.03 3.12 1.01 -0.65 -0.43 120.40 124.75 1xa1 s VAL 34 Ca -0.04 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1xa1 s VAL 34 Cb -0.07 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 1xa1 s VAL 34 CO -0.01 0.24 -0.07 -0.32 0.00 0.00 0.00 175.10 174.94 1xa1 s MET 35 N 0.17 0.51 -0.06 2.72 1.75 0.02 -1.19 119.30 123.22 1xa1 s MET 35 Ca -0.03 -0.58 0.02 0.00 -1.25 0.00 0.00 55.69 53.85 1xa1 s MET 35 Cb -0.08 -0.36 0.01 0.00 2.84 0.00 0.00 34.83 37.25 1xa1 s MET 35 CO 0.00 0.08 -0.11 -0.47 -0.65 0.00 0.00 175.02 173.87 1xa1 s TYR 36 N -0.97 1.35 -0.21 4.11 5.04 0.16 -0.55 117.35 126.28 1xa1 s TYR 36 Ca -0.06 -0.48 -0.14 0.00 -2.44 0.00 0.00 57.07 53.95 1xa1 s TYR 36 Cb -0.07 -1.00 -0.04 0.00 0.35 0.00 0.00 41.96 41.19 1xa1 s TYR 36 CO 0.00 -0.26 0.30 0.45 -1.34 0.00 0.00 175.55 174.71 1xa1 s SER 37 N 0.68 6.33 0.16 4.32 0.15 -0.49 -1.23 113.70 123.62 1xa1 s SER 37 Ca -0.14 0.38 -0.14 0.00 0.70 0.00 0.00 55.95 56.75 1xa1 s SER 37 Cb -0.15 -2.18 0.04 0.00 -1.71 0.00 0.00 66.02 62.01 1xa1 s SER 37 CO 0.03 -0.00 1.73 0.24 1.20 0.00 0.00 173.24 176.44 1xa1 h MET 38 N 7.31 0.73 -0.74 5.44 0.00 -1.60 -0.06 114.93 126.01 1xa1 h MET 38 Ca -0.37 -0.11 -0.03 0.00 0.00 0.00 0.00 59.70 59.18 1xa1 h MET 38 Cb 1.16 -0.13 -0.03 0.00 0.00 0.00 0.00 31.60 32.60 1xa1 h MET 38 CO 0.70 0.62 0.35 -0.22 0.00 0.00 0.00 176.91 178.36 1xa1 h LYS 39 N 0.67 1.08 -0.01 1.72 3.64 -1.93 -3.15 116.57 118.58 1xa1 h LYS 39 Ca 0.17 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1xa1 h LYS 39 Cb 0.13 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1xa1 h LYS 39 CO -0.02 0.85 -0.64 1.63 -2.27 0.00 0.00 179.45 179.00 1xa1 n LYS 40 N -4.39 0.73 -4.03 1.90 5.02 -1.20 -4.97 118.16 111.22 1xa1 n LYS 40 Ca 0.06 -0.59 -0.27 0.00 -2.02 0.00 0.00 58.31 55.50 1xa1 n LYS 40 Cb 0.14 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 33.63 1xa1 n LYS 40 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1xa1 n ASP 41 N -0.62 -0.15 -4.09 4.39 2.03 -0.04 -4.96 116.55 113.12 1xa1 n ASP 41 Ca 0.07 -1.06 -0.25 0.00 0.52 0.00 0.00 54.79 54.07 1xa1 n ASP 41 Cb 0.41 -2.76 -0.16 0.00 -0.72 0.00 0.00 41.12 37.88 1xa1 n ASP 41 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1xa1 s LYS 42 N -6.72 1.70 0.03 -0.67 2.20 -1.19 -4.77 119.74 110.32 1xa1 s LYS 42 Ca 0.03 -0.52 -0.10 0.00 -0.36 0.00 0.00 55.97 55.01 1xa1 s LYS 42 Cb -0.01 -1.45 -0.05 0.00 -1.51 0.00 0.00 37.83 34.80 1xa1 s LYS 42 CO 0.91 0.16 0.36 0.71 -0.36 0.00 0.00 175.35 177.13 1xa1 s TYR 43 N 0.27 3.62 -0.12 4.03 2.02 -1.26 -1.40 117.35 124.50 1xa1 s TYR 43 Ca -0.08 0.79 0.02 0.00 -0.37 0.00 0.00 57.07 57.43 1xa1 s TYR 43 Cb -0.13 -2.15 0.01 0.00 -0.40 0.00 0.00 41.96 39.30 1xa1 s TYR 43 CO 0.03 0.58 -0.17 0.71 -1.57 0.00 0.00 175.55 175.13 1xa1 s TYR 44 N -1.28 2.21 -0.06 2.71 2.02 0.29 -0.87 117.35 122.36 1xa1 s TYR 44 Ca 0.29 -1.10 0.01 0.00 -0.37 0.00 0.00 57.07 55.90 1xa1 s TYR 44 Cb -0.14 -1.56 0.02 0.00 -0.40 0.00 0.00 41.96 39.87 1xa1 s TYR 44 CO 0.16 -0.55 -0.06 0.42 -1.57 0.00 0.00 175.55 173.95 1xa1 s ILE 45 N 1.02 0.71 -0.23 2.71 1.01 -0.41 -0.80 121.20 125.21 1xa1 s ILE 45 Ca -0.05 -0.19 -0.14 0.00 0.00 0.00 0.00 60.65 60.27 1xa1 s ILE 45 Cb -0.15 -0.72 -0.04 0.00 0.01 0.00 0.00 42.46 41.56 1xa1 s ILE 45 CO -0.03 0.27 0.34 -0.47 0.00 0.00 0.00 174.94 175.05 1xa1 s TYR 46 N 1.07 3.32 -0.61 3.97 6.04 0.43 -0.86 117.35 130.71 1xa1 s TYR 46 Ca -0.08 0.47 -0.01 0.00 0.04 0.00 0.00 57.07 57.48 1xa1 s TYR 46 Cb -0.14 -2.49 0.00 0.00 -1.04 0.00 0.00 41.96 38.29 1xa1 s TYR 46 CO -0.01 -0.06 0.59 0.09 -1.54 0.00 0.00 175.55 174.62 1xa1 n ASN 47 N 4.70 -6.98 -0.21 4.32 3.02 -1.26 -2.56 115.26 116.29 1xa1 n ASN 47 Ca -0.10 -0.01 -0.09 0.00 -0.03 0.00 0.00 54.58 54.36 1xa1 n ASN 47 Cb 0.51 -4.70 0.04 0.00 -0.61 0.00 0.00 39.78 35.02 1xa1 n ASN 47 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1xa1 h GLU 48 N 0.52 1.07 -0.23 3.52 4.22 -1.94 -0.02 114.58 121.72 1xa1 h GLU 48 Ca 0.00 -0.33 -0.00 0.00 0.08 0.00 0.00 59.36 59.11 1xa1 h GLU 48 Cb 0.99 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1xa1 h GLU 48 CO 0.25 1.03 0.13 -0.22 -2.18 0.00 0.00 179.01 178.02 1xa1 h LYS 49 N 0.98 0.31 -0.38 1.92 3.64 -1.99 -2.40 116.57 118.64 1xa1 h LYS 49 Ca 0.18 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1xa1 h LYS 49 Cb 0.54 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1xa1 h LYS 49 CO 0.03 0.27 0.07 1.49 -2.27 0.00 0.00 179.45 179.03 1xa1 h GLU 50 N 0.27 0.57 0.00 1.90 4.57 -1.87 -2.09 114.58 117.93 1xa1 h GLU 50 Ca 0.08 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1xa1 h GLU 50 Cb 0.04 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1xa1 h GLU 50 CO -0.01 0.54 0.00 0.66 -1.18 0.00 0.00 179.01 179.02 1xa1 h SER 51 N 0.55 0.00 0.02 1.04 4.64 -0.50 -2.10 113.55 117.21 1xa1 h SER 51 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1xa1 h SER 51 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1xa1 h SER 51 CO 0.00 0.00 -0.29 0.54 -0.87 0.00 0.00 176.83 176.21 1xa1 n ARG 52 N -2.75 1.45 -2.68 4.77 1.74 -0.79 -0.88 116.66 117.51 1xa1 n ARG 52 Ca -0.01 -1.13 -0.41 0.00 -0.77 0.00 0.00 57.85 55.53 1xa1 n ARG 52 Cb 0.15 -1.48 -0.05 0.00 -1.02 0.00 0.00 32.46 30.07 1xa1 n ARG 52 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1xa1 s LYS 53 N -2.33 4.70 -0.05 5.56 1.02 -0.79 -1.71 119.74 126.15 1xa1 s LYS 53 Ca 0.23 1.52 -0.18 0.00 0.02 0.00 0.00 55.97 57.56 1xa1 s LYS 53 Cb 0.19 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 34.11 1xa1 s LYS 53 CO 0.48 0.24 0.49 1.03 -0.92 0.00 0.00 175.35 176.67 1xa1 s ARG 54 N -0.30 4.22 0.14 1.68 0.52 -1.26 -4.11 118.95 119.84 1xa1 s ARG 54 Ca 0.46 0.53 0.04 0.00 -0.52 0.00 0.00 55.73 56.24 1xa1 s ARG 54 Cb -0.25 -3.34 -0.04 0.00 0.52 0.00 0.00 34.95 31.83 1xa1 s ARG 54 CO 0.31 0.38 -0.09 0.71 0.02 0.00 0.00 175.30 176.64 1xa1 s TYR 55 N -0.15 1.21 0.22 -0.53 2.02 -0.23 -4.73 117.35 115.17 1xa1 s TYR 55 Ca 0.27 -0.80 -0.32 0.00 -0.37 0.00 0.00 57.07 55.84 1xa1 s TYR 55 Cb -0.17 -0.63 -0.13 0.00 -0.40 0.00 0.00 41.96 40.63 1xa1 s TYR 55 CO 0.13 0.03 1.58 0.45 -1.57 0.00 0.00 175.55 176.17 1xa1 n SER 56 N -0.18 3.41 0.23 2.29 2.88 -1.26 -0.47 113.62 120.52 1xa1 n SER 56 Ca -0.10 1.11 0.15 0.00 -1.33 0.00 0.00 58.87 58.70 1xa1 n SER 56 Cb 0.61 -1.50 0.58 0.00 -0.75 0.00 0.00 64.21 63.14 1xa1 n SER 56 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1xa1 h PRO 57 N 5.44 0.00 0.00 -1.46 0.13 -1.72 -3.47 132.00 130.92 1xa1 h PRO 57 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1xa1 h PRO 57 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xa1 h PRO 57 CO 0.85 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.71 1xa1 n ASN 58 N -2.83 0.00 0.00 1.44 4.13 -0.18 -1.87 115.26 115.96 1xa1 n ASN 58 Ca 0.02 0.00 0.09 0.00 1.68 0.00 0.00 54.58 56.36 1xa1 n ASN 58 Cb 0.31 0.00 0.41 0.00 -1.54 0.00 0.00 39.78 38.97 1xa1 n ASN 58 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1xa1 n SER 59 N 0.46 0.00 0.27 6.41 7.64 -1.26 -1.58 113.62 125.55 1xa1 n SER 59 Ca 0.00 0.29 0.11 0.00 1.01 0.00 0.00 58.87 60.28 1xa1 n SER 59 Cb 0.00 -0.41 0.73 0.00 -1.01 0.00 0.00 64.21 63.52 1xa1 n SER 59 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1xa1 h THR 60 N 0.00 0.74 0.00 0.44 1.35 -1.39 -1.61 112.91 112.45 1xa1 h THR 60 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1xa1 h THR 60 Cb 0.25 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1xa1 h THR 60 CO 0.00 0.08 0.00 0.22 -0.25 0.00 0.00 175.52 175.57 1xa1 h TYR 61 N 0.00 0.00 -0.30 4.73 3.20 -1.44 -2.27 116.97 120.89 1xa1 h TYR 61 Ca -0.00 0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.96 1xa1 h TYR 61 Cb 0.17 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1xa1 h TYR 61 CO 0.00 0.00 0.30 0.87 -1.64 0.00 0.00 178.16 177.69 1xa1 h LYS 62 N 0.00 0.00 -0.41 1.82 1.57 -1.48 -1.03 116.57 117.04 1xa1 h LYS 62 Ca 0.00 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1xa1 h LYS 62 Cb 0.30 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 1xa1 h LYS 62 CO 0.00 0.00 0.18 0.82 -0.57 0.00 0.00 179.45 179.88 1xa1 h ILE 63 N 0.00 0.93 0.05 1.86 2.04 -1.61 -1.20 117.51 119.58 1xa1 h ILE 63 Ca 0.14 -0.13 -0.27 0.00 1.00 0.00 0.00 64.86 65.61 1xa1 h ILE 63 Cb 0.74 0.53 0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1xa1 h ILE 63 CO -0.00 0.07 -1.10 1.88 0.00 0.00 0.00 178.15 179.00 1xa1 h TYR 64 N 0.37 0.88 -0.74 1.37 0.05 -1.43 -1.89 116.97 115.57 1xa1 h TYR 64 Ca 0.18 -0.51 0.03 0.00 0.05 0.00 0.00 58.73 58.48 1xa1 h TYR 64 Cb 0.13 -0.09 -0.05 0.00 1.01 0.00 0.00 36.73 37.73 1xa1 h TYR 64 CO -0.12 1.35 0.47 -0.07 -1.05 0.00 0.00 178.16 178.74 1xa1 h LEU 65 N 0.29 0.78 -0.35 3.88 3.38 -1.27 0.37 115.31 122.39 1xa1 h LEU 65 Ca -0.14 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1xa1 h LEU 65 Cb 1.76 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.32 1xa1 h LEU 65 CO 0.21 0.54 0.21 0.00 0.09 0.00 0.00 178.44 179.49 1xa1 h ALA 66 N 1.31 0.45 -0.94 1.53 0.00 -1.16 -0.14 119.26 120.31 1xa1 h ALA 66 Ca 0.30 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1xa1 h ALA 66 Cb 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1xa1 h ALA 66 CO -0.11 -0.05 0.62 1.98 0.00 0.00 0.00 179.25 181.70 1xa1 h MET 67 N 0.46 1.23 -0.19 0.00 1.85 -0.79 -1.55 114.93 115.94 1xa1 h MET 67 Ca 0.13 -0.07 -0.20 0.00 -0.61 0.00 0.00 59.70 58.94 1xa1 h MET 67 Cb 0.01 -0.28 0.00 0.00 0.43 0.00 0.00 31.60 31.76 1xa1 h MET 67 CO -0.02 0.81 -0.68 0.74 -0.40 0.00 0.00 176.91 177.36 1xa1 h PHE 68 N 1.27 0.96 -0.91 1.39 0.04 -0.60 -0.28 116.94 118.80 1xa1 h PHE 68 Ca 0.35 -0.39 0.02 0.00 2.80 0.00 0.00 57.97 60.75 1xa1 h PHE 68 Cb -0.13 -0.16 -0.05 0.00 2.20 0.00 0.00 35.95 37.81 1xa1 h PHE 68 CO -0.00 1.20 0.60 0.78 -0.60 0.00 0.00 178.31 180.29 1xa1 h GLY 69 N 0.77 1.29 0.99 -1.45 0.00 -0.79 -0.65 103.07 103.24 1xa1 h GLY 69 Ca -0.02 -0.47 -0.18 0.00 0.00 0.00 0.00 47.33 46.65 1xa1 h GLY 69 CO 0.14 0.44 -0.65 1.41 0.00 0.00 0.00 176.54 177.88 1xa1 h LEU 70 N 1.21 0.74 -1.70 3.11 3.38 -1.06 -1.02 115.31 119.98 1xa1 h LEU 70 Ca 0.34 -0.66 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 1xa1 h LEU 70 Cb -0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1xa1 h LEU 70 CO -0.08 1.29 -0.18 -0.78 0.09 0.00 0.00 178.44 178.77 1xa1 h ASP 71 N 0.25 0.00 -0.08 -0.43 3.58 -0.77 -2.43 116.42 116.55 1xa1 h ASP 71 Ca -0.05 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1xa1 h ASP 71 Cb 1.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.35 1xa1 h ASP 71 CO 0.13 0.18 0.00 0.54 -2.88 0.00 0.00 179.24 177.22 1xa1 n ARG 72 N -3.89 2.05 -1.66 0.28 1.74 -0.27 -4.98 116.66 109.94 1xa1 n ARG 72 Ca -0.02 -1.85 -0.16 0.00 -0.77 0.00 0.00 57.85 55.06 1xa1 n ARG 72 Cb 0.28 -1.42 -0.05 0.00 -1.02 0.00 0.00 32.46 30.24 1xa1 n ARG 72 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1xa1 n HIS 73 N 1.23 -0.18 -0.14 -1.55 8.25 -0.78 -4.87 115.22 117.19 1xa1 n HIS 73 Ca 0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.50 1xa1 n HIS 73 Cb 0.54 -2.86 0.04 0.00 1.12 0.00 0.00 29.99 28.83 1xa1 n HIS 73 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1xa1 h ILE 74 N 0.00 1.27 -2.65 1.59 2.04 -1.49 -3.43 117.51 114.84 1xa1 h ILE 74 Ca -0.33 -1.35 -0.56 0.00 1.00 0.00 0.00 64.86 63.62 1xa1 h ILE 74 Cb 1.08 1.12 -0.15 0.00 -0.74 0.00 0.00 36.82 38.14 1xa1 h ILE 74 CO 0.46 0.46 -0.76 0.27 0.00 0.00 0.00 178.15 178.58 1xa1 s ILE 75 N -4.68 2.17 0.00 -0.67 -4.36 -1.03 -4.95 121.20 107.68 1xa1 s ILE 75 Ca -0.11 -2.25 0.00 0.00 -0.26 0.00 0.00 60.65 58.03 1xa1 s ILE 75 Cb 0.13 -2.15 0.00 0.00 1.25 0.00 0.00 42.46 41.69 1xa1 s ILE 75 CO 0.86 -0.42 0.00 -0.46 0.24 0.00 0.00 174.94 175.16 1xa1 n ASN 76 N -0.34 0.00 0.00 4.36 2.04 -1.26 -4.23 115.26 115.83 1xa1 n ASN 76 Ca -0.08 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.06 1xa1 n ASN 76 Cb 0.59 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.84 1xa1 n ASN 76 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1xa1 n SER 80 N -0.57 0.00 -4.76 0.53 3.41 -1.26 -5.06 113.62 105.90 1xa1 n SER 80 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 1xa1 n SER 80 Cb 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 1xa1 n SER 80 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1xa1 s ARG 81 N 0.00 2.31 0.38 4.33 6.06 -1.26 -3.77 118.95 127.00 1xa1 s ARG 81 Ca 0.00 1.30 -0.16 0.00 -2.50 0.00 0.00 55.73 54.38 1xa1 s ARG 81 Cb 0.00 -1.90 0.05 0.00 0.06 0.00 0.00 34.95 33.17 1xa1 s ARG 81 CO 0.00 -1.62 0.77 1.41 -2.50 0.00 0.00 175.30 173.37 1xa1 s MET 82 N -4.57 2.20 -0.21 5.12 1.75 -0.07 -4.96 119.30 118.54 1xa1 s MET 82 Ca 0.64 -1.42 -0.14 0.00 -1.25 0.00 0.00 55.69 53.52 1xa1 s MET 82 Cb -0.19 0.62 0.06 0.00 2.84 0.00 0.00 34.83 38.16 1xa1 s MET 82 CO 0.51 -1.02 0.53 -0.46 -0.65 0.00 0.00 175.02 173.93 1xa1 s TRP 84 N -2.45 -0.74 -1.59 4.11 -0.00 -1.26 -2.50 118.94 114.51 1xa1 s TRP 84 Ca 0.16 1.59 0.13 0.00 -0.00 0.00 0.00 56.10 57.98 1xa1 s TRP 84 Cb -0.05 0.36 0.46 0.00 -0.00 0.00 0.00 33.47 34.25 1xa1 s TRP 84 CO 0.11 -0.39 1.35 0.27 -0.00 0.00 0.00 176.95 178.30 1xa1 n ASN 85 N 3.90 3.04 -1.13 5.86 6.94 -1.26 -4.94 115.26 127.67 1xa1 n ASN 85 Ca -0.20 -2.17 -0.14 0.00 -0.02 0.00 0.00 54.58 52.05 1xa1 n ASN 85 Cb 0.57 -0.41 -0.06 0.00 -2.36 0.00 0.00 39.78 37.52 1xa1 n ASN 85 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1xa1 n HIS 86 N 0.79 -0.03 -2.63 -2.53 8.25 -1.26 -5.00 115.22 112.81 1xa1 n HIS 86 Ca 0.17 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.21 1xa1 n HIS 86 Cb 0.54 -2.58 -0.03 0.00 1.12 0.00 0.00 29.99 29.04 1xa1 n HIS 86 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1xa1 s LYS 87 N -3.28 4.57 -0.48 -0.41 2.20 -1.26 -5.00 119.74 116.08 1xa1 s LYS 87 Ca 0.00 1.53 -0.24 0.00 -0.36 0.00 0.00 55.97 56.90 1xa1 s LYS 87 Cb 0.00 -3.40 0.03 0.00 -1.51 0.00 0.00 37.83 32.95 1xa1 s LYS 87 CO 0.00 -0.03 0.86 -1.58 -0.36 0.00 0.00 175.35 174.25 1xa1 s HIS 88 N 0.68 2.93 0.43 4.03 5.65 -1.26 -4.83 115.29 122.92 1xa1 s HIS 88 Ca 0.52 0.19 -0.03 0.00 0.25 0.00 0.00 55.06 56.00 1xa1 s HIS 88 Cb -0.24 -3.86 -0.03 0.00 -1.18 0.00 0.00 32.58 27.27 1xa1 s HIS 88 CO 0.29 -1.10 0.69 0.71 -0.65 0.00 0.00 174.74 174.68 1xa1 s TYR 89 N 3.58 3.52 -1.16 3.88 1.51 -1.26 -5.02 117.35 122.40 1xa1 s TYR 89 Ca 0.32 0.61 0.16 0.00 -1.01 0.00 0.00 57.07 57.15 1xa1 s TYR 89 Cb -0.12 -2.16 0.74 0.00 -0.11 0.00 0.00 41.96 40.32 1xa1 s TYR 89 CO 0.23 -0.14 1.50 -0.35 -1.11 0.00 0.00 175.55 175.69 1xa1 n PRO 90 N -2.08 0.09 -3.65 -1.71 -0.04 -1.26 -4.54 135.00 121.81 1xa1 n PRO 90 Ca -0.01 0.19 -0.38 0.00 -0.04 0.00 0.00 63.50 63.25 1xa1 n PRO 90 Cb 0.56 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 1xa1 n PRO 90 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1xa1 s PHE 91 N -2.84 3.17 0.49 0.54 0.40 -1.26 -4.98 117.98 113.49 1xa1 s PHE 91 Ca 0.11 -0.33 0.21 0.00 -0.60 0.00 0.00 56.93 56.33 1xa1 s PHE 91 Cb 0.11 -2.34 1.25 0.00 0.51 0.00 0.00 43.02 42.55 1xa1 s PHE 91 CO 0.28 -0.35 1.96 -0.44 0.70 0.00 0.00 175.22 177.37 1xa1 h ASP 92 N 8.34 0.17 0.75 1.36 3.45 -1.99 -1.76 116.42 126.73 1xa1 h ASP 92 Ca -0.34 0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.12 1xa1 h ASP 92 Cb 1.17 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 39.91 1xa1 h ASP 92 CO 0.59 0.09 -0.02 0.00 -1.57 0.00 0.00 179.24 178.33 1xa1 h ALA 93 N 1.69 1.02 0.00 3.45 0.00 -1.94 -2.71 119.26 120.76 1xa1 h ALA 93 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1xa1 h ALA 93 Cb 0.98 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1xa1 h ALA 93 CO -0.05 0.02 -0.38 -1.49 0.00 0.00 0.00 179.25 177.35 1xa1 h TRP 94 N 0.00 0.00 -0.96 0.00 4.06 -1.69 -3.40 115.95 113.96 1xa1 h TRP 94 Ca -0.00 0.00 -0.65 0.00 2.06 0.00 0.00 58.89 60.30 1xa1 h TRP 94 Cb 0.40 0.00 -0.12 0.00 -1.00 0.00 0.00 29.16 28.44 1xa1 h TRP 94 CO 0.00 0.00 1.91 0.09 -3.56 0.00 0.00 178.44 176.88 1xa1 n ASN 95 N -2.63 7.59 -3.69 -3.49 3.02 -1.02 -4.85 115.26 110.19 1xa1 n ASN 95 Ca 0.03 -3.07 -0.02 0.00 -0.03 0.00 0.00 54.58 51.49 1xa1 n ASN 95 Cb 0.50 -1.35 -0.01 0.00 -0.61 0.00 0.00 39.78 38.31 1xa1 n ASN 95 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1xa1 s LYS 96 N -0.85 1.00 0.79 3.52 -2.85 -1.26 -5.09 119.74 114.99 1xa1 s LYS 96 Ca 0.58 -0.56 -0.14 0.00 -1.00 0.00 0.00 55.97 54.84 1xa1 s LYS 96 Cb 0.24 0.33 0.04 0.00 -2.06 0.00 0.00 37.83 36.38 1xa1 s LYS 96 CO -0.12 -0.46 0.92 -0.85 0.10 0.00 0.00 175.35 174.94 1xa1 n GLU 97 N -0.50 0.23 -3.97 1.78 0.28 -1.26 -4.57 120.64 112.63 1xa1 n GLU 97 Ca -0.06 0.14 -0.11 0.00 -0.16 0.00 0.00 57.16 56.97 1xa1 n GLU 97 Cb 0.61 -2.20 -0.12 0.00 1.43 0.00 0.00 31.44 31.16 1xa1 n GLU 97 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1xa1 s GLN 98 N -3.60 0.26 0.52 3.44 -1.52 -1.04 -5.00 119.66 112.72 1xa1 s GLN 98 Ca 0.70 -0.45 0.03 0.00 -1.95 0.00 0.00 55.36 53.69 1xa1 s GLN 98 Cb -0.31 0.00 0.01 0.00 -0.22 0.00 0.00 33.01 32.49 1xa1 s GLN 98 CO 0.54 -0.01 0.20 0.16 -0.25 0.00 0.00 175.29 175.93 1xa1 s ASP 99 N -1.02 4.38 0.22 5.90 1.47 -1.26 -0.90 116.67 125.46 1xa1 s ASP 99 Ca -0.10 -1.44 -0.10 0.00 1.18 0.00 0.00 52.55 52.09 1xa1 s ASP 99 Cb -0.07 0.44 0.31 0.00 -0.34 0.00 0.00 42.92 43.26 1xa1 s ASP 99 CO -0.01 -0.96 1.66 0.25 0.68 0.00 0.00 175.17 176.79 1xa1 h LEU 100 N 1.07 -0.27 -0.41 2.11 5.85 -1.97 -1.76 115.31 119.92 1xa1 h LEU 100 Ca -0.40 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1xa1 h LEU 100 Cb 1.31 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.59 1xa1 h LEU 100 CO 0.66 -0.12 0.26 0.78 -0.34 0.00 0.00 178.44 179.68 1xa1 h ASN 101 N 0.12 0.48 -0.15 1.25 2.35 -1.94 -0.54 115.58 117.15 1xa1 h ASN 101 Ca 0.33 -0.04 -0.18 0.00 -0.55 0.00 0.00 56.30 55.86 1xa1 h ASN 101 Cb 0.54 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 1xa1 h ASN 101 CO -0.54 0.38 -0.58 0.71 -1.65 0.00 0.00 177.43 175.75 1xa1 h THR 102 N 0.55 1.29 -0.74 2.81 1.35 -1.89 -2.38 112.91 113.90 1xa1 h THR 102 Ca 0.15 -1.79 -0.01 0.00 -0.55 0.00 0.00 66.41 64.21 1xa1 h THR 102 Cb -0.03 1.73 -0.04 0.00 -1.73 0.00 0.00 68.15 68.09 1xa1 h THR 102 CO -0.03 0.57 0.44 0.00 -0.25 0.00 0.00 175.52 176.25 1xa1 h ALA 103 N 0.77 0.95 -0.23 6.62 0.00 -1.09 -2.02 119.26 124.27 1xa1 h ALA 103 Ca 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1xa1 h ALA 103 Cb 1.17 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1xa1 h ALA 103 CO 0.12 0.43 -0.34 1.98 0.00 0.00 0.00 179.25 181.45 1xa1 h MET 104 N 1.02 0.64 -0.65 0.00 -1.53 -1.07 0.69 114.93 114.02 1xa1 h MET 104 Ca 0.27 -0.38 -0.05 0.00 -3.44 0.00 0.00 59.70 56.10 1xa1 h MET 104 Cb -0.01 0.03 -0.03 0.00 -0.55 0.00 0.00 31.60 31.04 1xa1 h MET 104 CO -0.05 0.99 0.23 0.37 0.14 0.00 0.00 176.91 178.59 1xa1 h GLN 105 N 0.34 1.00 -0.56 0.39 4.15 -1.29 -2.97 115.11 116.16 1xa1 h GLN 105 Ca 0.02 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.24 1xa1 h GLN 105 Cb 0.92 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.46 1xa1 h GLN 105 CO 0.08 0.86 0.00 0.09 -1.93 0.00 0.00 178.83 177.93 1xa1 n ASN 106 N -4.38 3.61 -3.93 -0.69 3.02 -0.77 -4.99 115.26 107.14 1xa1 n ASN 106 Ca 0.04 -2.06 -0.38 0.00 -0.03 0.00 0.00 54.58 52.15 1xa1 n ASN 106 Cb 0.20 -0.40 0.02 0.00 -0.61 0.00 0.00 39.78 38.99 1xa1 n ASN 106 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1xa1 n SER 107 N 1.11 -3.94 -4.55 6.41 2.88 0.12 -4.81 113.62 110.84 1xa1 n SER 107 Ca 0.19 -1.17 -0.41 0.00 -1.33 0.00 0.00 58.87 56.16 1xa1 n SER 107 Cb 0.57 -2.45 -0.03 0.00 -0.75 0.00 0.00 64.21 61.56 1xa1 n SER 107 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1xa1 s VAL 108 N -3.60 3.75 0.20 2.46 1.01 -0.54 -4.91 120.40 118.77 1xa1 s VAL 108 Ca 0.41 0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.46 1xa1 s VAL 108 Cb -0.19 -4.93 0.14 0.00 0.00 0.00 0.00 36.38 31.40 1xa1 s VAL 108 CO 0.92 -1.85 1.70 0.78 0.00 0.00 0.00 175.10 176.65 1xa1 h ASN 109 N 10.08 -0.09 -0.47 3.32 2.35 -1.90 -2.71 115.58 126.16 1xa1 h ASN 109 Ca -0.19 0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1xa1 h ASN 109 Cb 1.04 0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.56 1xa1 h ASN 109 CO 1.31 -0.02 0.29 4.11 -1.65 0.00 0.00 177.43 181.46 1xa1 h TRP 110 N 0.19 0.63 -0.06 1.19 5.08 -1.98 -0.34 115.95 120.66 1xa1 h TRP 110 Ca 0.28 0.00 0.02 0.00 1.08 0.00 0.00 58.89 60.27 1xa1 h TRP 110 Cb 0.41 -0.21 -0.02 0.00 -3.00 0.00 0.00 29.16 26.34 1xa1 h TRP 110 CO -0.27 0.43 -0.06 -0.92 -1.28 0.00 0.00 178.44 176.33 1xa1 h TYR 111 N 0.67 -0.16 -0.02 0.12 3.20 -1.91 -1.07 116.97 117.81 1xa1 h TYR 111 Ca 0.18 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.91 1xa1 h TYR 111 Cb -0.02 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 1xa1 h TYR 111 CO 0.00 -0.10 -0.67 0.74 -1.64 0.00 0.00 178.16 176.49 1xa1 h PHE 112 N -0.09 0.10 -0.59 -3.82 0.04 -1.38 -2.33 116.94 108.87 1xa1 h PHE 112 Ca 0.05 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 1xa1 h PHE 112 Cb 0.15 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 1xa1 h PHE 112 CO -0.16 0.72 0.14 0.93 -0.60 0.00 0.00 178.31 179.34 1xa1 h GLU 113 N 0.05 0.92 -0.43 1.51 5.08 -0.95 -0.53 114.58 120.23 1xa1 h GLU 113 Ca -0.01 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.06 1xa1 h GLU 113 Cb 1.18 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1xa1 h GLU 113 CO 0.09 0.82 -0.12 -0.09 -1.00 0.00 0.00 179.01 178.71 1xa1 h ARG 114 N 0.88 0.77 -0.28 2.33 2.43 -0.98 -0.29 114.38 119.24 1xa1 h ARG 114 Ca 0.19 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1xa1 h ARG 114 Cb 0.32 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1xa1 h ARG 114 CO -0.00 0.86 0.12 0.82 -1.51 0.00 0.00 179.97 180.26 1xa1 h ILE 115 N 0.70 1.17 -0.71 1.20 2.04 -1.10 -3.16 117.51 117.65 1xa1 h ILE 115 Ca 0.12 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 1xa1 h ILE 115 Cb 0.60 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1xa1 h ILE 115 CO 0.04 0.17 0.21 -1.28 0.00 0.00 0.00 178.15 177.29 1xa1 h SER 116 N 0.30 1.03 0.00 1.72 0.87 -0.77 -2.12 113.55 114.58 1xa1 h SER 116 Ca 0.09 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1xa1 h SER 116 Cb 0.16 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1xa1 h SER 116 CO -0.01 0.97 0.05 0.44 -0.53 0.00 0.00 176.83 177.75 1xa1 h ASP 117 N 1.06 0.00 -0.01 6.23 3.32 -1.02 -1.35 116.42 124.65 1xa1 h ASP 117 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1xa1 h ASP 117 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1xa1 h ASP 117 CO -0.01 0.00 -0.31 0.00 -1.72 0.00 0.00 179.24 177.21 1xa1 n GLN 118 N -2.72 1.63 -3.29 3.56 6.02 -0.80 -4.91 117.38 116.87 1xa1 n GLN 118 Ca -0.02 -0.88 -0.39 0.00 -0.01 0.00 0.00 57.00 55.70 1xa1 n GLN 118 Cb 0.11 -1.29 -0.07 0.00 1.02 0.00 0.00 30.24 30.01 1xa1 n GLN 118 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xa1 s ILE 119 N -1.87 5.12 0.30 5.09 -1.09 -0.51 -5.06 121.20 123.17 1xa1 s ILE 119 Ca 0.14 0.83 -0.29 0.00 -2.23 0.00 0.00 60.65 59.10 1xa1 s ILE 119 Cb 0.13 -3.80 -0.10 0.00 -1.58 0.00 0.00 42.46 37.11 1xa1 s ILE 119 CO 0.39 0.15 1.40 -2.84 -1.23 0.00 0.00 174.94 172.82 1xa1 s PRO 120 N 1.88 4.27 0.39 2.79 0.02 -1.26 -4.93 135.00 138.16 1xa1 s PRO 120 Ca 0.21 2.32 0.12 0.00 0.02 0.00 0.00 61.00 63.67 1xa1 s PRO 120 Cb -0.15 -3.07 0.93 0.00 0.02 0.00 0.00 34.50 32.23 1xa1 s PRO 120 CO 0.09 -0.36 1.88 -0.22 -0.33 0.00 0.00 177.00 178.06 1xa1 h LYS 121 N 4.13 0.54 -0.36 5.54 3.64 -1.97 -1.53 116.57 126.57 1xa1 h LYS 121 Ca -0.48 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 58.77 1xa1 h LYS 121 Cb 1.22 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1xa1 h LYS 121 CO 0.71 0.36 -0.19 -2.95 -2.27 0.00 0.00 179.45 175.11 1xa1 h ASN 122 N 0.56 0.67 -0.33 4.20 7.08 -1.98 0.19 115.58 125.96 1xa1 h ASN 122 Ca 0.43 -0.22 -0.04 0.00 -3.08 0.00 0.00 56.30 53.40 1xa1 h ASN 122 Cb 0.85 -0.18 -0.01 0.00 -2.08 0.00 0.00 38.32 36.89 1xa1 h ASN 122 CO -0.18 0.87 0.07 0.22 -2.08 0.00 0.00 177.43 176.33 1xa1 h TYR 123 N 0.60 0.57 -0.58 4.14 5.03 -1.67 -0.69 116.97 124.37 1xa1 h TYR 123 Ca 0.09 -0.07 -0.04 0.00 2.58 0.00 0.00 58.73 61.29 1xa1 h TYR 123 Cb 0.66 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.75 1xa1 h TYR 123 CO 0.03 0.59 0.20 1.15 -1.32 0.00 0.00 178.16 178.81 1xa1 h THR 124 N 0.39 1.23 -0.87 1.81 2.02 -1.19 -1.01 112.91 115.30 1xa1 h THR 124 Ca 0.10 -0.77 0.04 0.00 0.77 0.00 0.00 66.41 66.55 1xa1 h THR 124 Cb 0.32 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.33 1xa1 h THR 124 CO 0.00 0.29 0.56 0.00 0.37 0.00 0.00 175.52 176.74 1xa1 h ALA 125 N 1.06 1.15 -0.44 6.16 0.00 -0.55 -0.50 119.26 126.14 1xa1 h ALA 125 Ca 0.19 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1xa1 h ALA 125 Cb 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xa1 h ALA 125 CO -0.01 0.39 -0.16 1.15 0.00 0.00 0.00 179.25 180.62 1xa1 h THR 126 N 1.08 1.27 -0.03 0.00 2.02 -0.71 -2.10 112.91 114.43 1xa1 h THR 126 Ca 0.35 -1.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 1xa1 h THR 126 Cb 0.02 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1xa1 h THR 126 CO -0.12 0.44 -0.04 1.56 0.37 0.00 0.00 175.52 177.73 1xa1 h GLN 127 N 0.75 0.08 -0.13 6.66 1.08 -0.65 -2.10 115.11 120.80 1xa1 h GLN 127 Ca 0.11 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 1xa1 h GLN 127 Cb 0.68 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.11 1xa1 h GLN 127 CO 0.05 0.56 -0.05 -0.07 -0.95 0.00 0.00 178.83 178.38 1xa1 h LEU 128 N -0.40 0.17 -0.11 1.46 3.38 -1.11 0.39 115.31 119.10 1xa1 h LEU 128 Ca 0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1xa1 h LEU 128 Cb 0.55 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1xa1 h LEU 128 CO 0.01 0.25 0.00 0.50 0.09 0.00 0.00 178.44 179.29 1xa1 h LYS 129 N 0.19 0.19 -0.26 1.13 3.64 -1.30 -1.11 116.57 119.05 1xa1 h LYS 129 Ca 0.04 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1xa1 h LYS 129 Cb 0.21 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1xa1 h LYS 129 CO 0.01 0.43 -0.21 1.96 -2.27 0.00 0.00 179.45 179.37 1xa1 h GLN 130 N -0.08 0.47 -0.00 1.90 4.20 -0.80 -2.87 115.11 117.92 1xa1 h GLN 130 Ca 0.03 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1xa1 h GLN 130 Cb 0.35 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1xa1 h GLN 130 CO 0.01 0.65 -0.18 1.28 -0.67 0.00 0.00 178.83 179.91 1xa1 n LEU 131 N -4.15 0.19 -3.81 1.46 4.77 0.07 -4.93 117.00 110.60 1xa1 n LEU 131 Ca -0.00 0.30 -0.23 0.00 -0.03 0.00 0.00 56.01 56.05 1xa1 n LEU 131 Cb 0.37 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1xa1 n LEU 131 CO 0.41 0.05 -0.14 0.59 -1.33 0.00 0.00 177.39 176.97 1xa1 n ASN 132 N -1.48 -0.87 -4.53 -1.43 3.02 -0.62 -4.75 115.26 104.61 1xa1 n ASN 132 Ca 0.07 -0.91 -0.42 0.00 -0.03 0.00 0.00 54.58 53.29 1xa1 n ASN 132 Cb 0.34 -3.59 -0.03 0.00 -0.61 0.00 0.00 39.78 35.89 1xa1 n ASN 132 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1xa1 s TYR 133 N -3.80 2.62 0.00 3.10 5.04 -0.52 -4.93 117.35 118.86 1xa1 s TYR 133 Ca 0.01 -0.79 0.00 0.00 -2.44 0.00 0.00 57.07 53.85 1xa1 s TYR 133 Cb -0.00 -4.57 0.00 0.00 0.35 0.00 0.00 41.96 37.74 1xa1 s TYR 133 CO 0.85 -1.85 0.00 0.41 -1.34 0.00 0.00 175.55 173.62 1xa1 n GLY 134 N 6.21 2.63 0.00 8.97 0.00 -1.26 -1.65 105.19 120.10 1xa1 n GLY 134 Ca 0.23 -0.25 0.15 0.00 0.00 0.00 0.00 46.02 46.15 1xa1 n GLY 134 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xa1 n ASN 135 N 1.05 0.00 -1.95 1.61 0.23 -0.36 -4.90 115.26 110.94 1xa1 n ASN 135 Ca 0.00 -0.65 -0.11 0.00 -0.53 0.00 0.00 54.58 53.29 1xa1 n ASN 135 Cb 0.00 -0.10 -0.02 0.00 -2.08 0.00 0.00 39.78 37.57 1xa1 n ASN 135 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1xa1 n LYS 136 N -1.10 -1.83 -3.01 -3.83 5.02 -0.66 -4.90 118.16 107.85 1xa1 n LYS 136 Ca 0.19 0.59 -0.43 0.00 -2.02 0.00 0.00 58.31 56.64 1xa1 n LYS 136 Cb 0.15 -5.01 -0.05 0.00 -0.02 0.00 0.00 35.03 30.10 1xa1 n LYS 136 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1xa1 s ASN 137 N -1.99 6.27 0.07 4.39 3.04 -1.26 -4.90 114.94 120.56 1xa1 s ASN 137 Ca 0.00 -0.67 0.26 0.00 0.04 0.00 0.00 52.86 52.48 1xa1 s ASN 137 Cb 0.00 -2.36 0.61 0.00 -1.54 0.00 0.00 41.25 37.96 1xa1 s ASN 137 CO 0.00 -1.05 1.51 0.18 -3.04 0.00 0.00 177.10 174.70 1xa1 n LEU 138 N 6.76 0.52 0.00 3.21 4.77 -1.26 -1.80 117.00 129.21 1xa1 n LEU 138 Ca -0.03 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1xa1 n LEU 138 Cb 0.46 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1xa1 n LEU 138 CO 0.58 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1xa1 n GLY 139 N 1.42 3.02 0.00 -0.72 0.00 -1.26 -0.48 105.19 107.16 1xa1 n GLY 139 Ca 0.05 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.03 1xa1 n GLY 139 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xa1 n SER 140 N 2.41 0.00 -3.00 1.61 7.64 -1.26 -4.90 113.62 116.11 1xa1 n SER 140 Ca 0.00 -0.50 -0.19 0.00 1.01 0.00 0.00 58.87 59.19 1xa1 n SER 140 Cb 0.00 -0.14 0.06 0.00 -1.01 0.00 0.00 64.21 63.12 1xa1 n SER 140 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xa1 n TYR 141 N -1.14 -2.34 -3.72 1.43 4.19 0.37 -5.00 117.16 110.95 1xa1 n TYR 141 Ca 0.17 0.82 -0.26 0.00 3.31 0.00 0.00 57.90 61.95 1xa1 n TYR 141 Cb 0.16 -4.27 -0.17 0.00 0.49 0.00 0.00 39.34 35.55 1xa1 n TYR 141 CO 0.00 0.00 0.00 0.15 0.91 0.00 0.00 176.86 177.92 1xa1 s LYS 142 N -6.06 0.53 -1.60 2.98 1.02 -1.26 -4.84 119.74 110.51 1xa1 s LYS 142 Ca 0.47 -0.23 -0.12 0.00 0.02 0.00 0.00 55.97 56.12 1xa1 s LYS 142 Cb -0.21 -1.77 0.10 0.00 -0.52 0.00 0.00 37.83 35.43 1xa1 s LYS 142 CO 0.59 -0.56 0.61 0.43 -0.92 0.00 0.00 175.35 175.50 1xa1 n SER 143 N 5.11 -2.03 0.09 2.83 7.64 -1.26 -4.80 113.62 121.20 1xa1 n SER 143 Ca -0.08 -1.03 0.11 0.00 1.01 0.00 0.00 58.87 58.88 1xa1 n SER 143 Cb 0.48 -2.74 0.45 0.00 -1.01 0.00 0.00 64.21 61.39 1xa1 n SER 143 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xa1 n TYR 144 N -4.40 0.61 1.13 1.43 0.18 -1.26 -1.89 117.16 112.95 1xa1 n TYR 144 Ca -0.07 0.22 0.12 0.00 1.88 0.00 0.00 57.90 60.05 1xa1 n TYR 144 Cb 0.57 -0.86 0.24 0.00 -0.38 0.00 0.00 39.34 38.90 1xa1 n TYR 144 CO 0.00 0.00 0.00 -2.67 -2.08 0.00 0.00 176.86 172.11 1xa1 n TRP 145 N -2.04 0.00 -3.58 -3.48 2.14 -1.26 -1.99 117.44 107.24 1xa1 n TRP 145 Ca 0.03 0.00 -0.40 0.00 2.07 0.00 0.00 57.50 59.20 1xa1 n TRP 145 Cb 0.26 -0.11 -0.08 0.00 -0.81 0.00 0.00 31.31 30.57 1xa1 n TRP 145 CO 0.00 0.00 0.00 -1.64 2.07 0.00 0.00 177.69 178.12 1xa1 s MET 146 N -2.64 2.68 -1.33 -2.67 -1.94 -0.79 -1.01 119.30 111.60 1xa1 s MET 146 Ca 0.19 -2.13 -0.22 0.00 -1.71 0.00 0.00 55.69 51.82 1xa1 s MET 146 Cb 0.18 -3.94 0.03 0.00 2.01 0.00 0.00 34.83 33.11 1xa1 s MET 146 CO 0.60 -1.20 0.46 0.39 -0.01 0.00 0.00 175.02 175.26 1xa1 n GLU 147 N 4.29 -0.59 0.00 2.03 -0.58 -1.26 -4.89 120.64 119.64 1xa1 n GLU 147 Ca 0.01 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1xa1 n GLU 147 Cb 0.41 -2.96 0.00 0.00 -0.57 0.00 0.00 31.44 28.32 1xa1 n GLU 147 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1xa1 n ASP 148 N -2.43 0.00 0.04 1.62 2.03 -1.26 -5.07 116.55 111.48 1xa1 n ASP 148 Ca -0.19 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 54.93 1xa1 n ASP 148 Cb 0.61 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.89 1xa1 n ASP 148 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1xa1 h SER 149 N 0.00 0.63 -3.26 1.67 4.64 -1.76 -3.46 113.55 112.01 1xa1 h SER 149 Ca 0.00 -0.81 -0.53 0.00 -0.47 0.00 0.00 61.79 59.98 1xa1 h SER 149 Cb 0.00 -0.20 0.02 0.00 -0.31 0.00 0.00 62.40 61.91 1xa1 h SER 149 CO 0.00 1.37 0.61 -0.22 -0.87 0.00 0.00 176.83 177.72 1xa1 s LEU 150 N -8.12 4.40 -0.02 5.97 2.96 -0.74 -4.65 118.68 118.47 1xa1 s LEU 150 Ca -0.12 2.20 -0.05 0.00 -0.22 0.00 0.00 54.13 55.94 1xa1 s LEU 150 Cb 0.04 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.14 1xa1 s LEU 150 CO 0.86 -0.49 0.10 -0.54 -1.32 0.00 0.00 176.35 174.96 1xa1 s LYS 151 N 0.53 0.29 -0.05 1.98 1.02 -1.26 -4.01 119.74 118.24 1xa1 s LYS 151 Ca 0.58 -0.16 -0.17 0.00 0.02 0.00 0.00 55.97 56.23 1xa1 s LYS 151 Cb -0.33 0.12 0.03 0.00 -0.52 0.00 0.00 37.83 37.14 1xa1 s LYS 151 CO 0.33 -0.06 0.39 -1.50 -0.92 0.00 0.00 175.35 173.59 1xa1 s ILE 152 N -0.70 0.04 0.43 2.17 2.07 0.38 -1.23 121.20 124.36 1xa1 s ILE 152 Ca -0.08 -0.30 -0.01 0.00 -1.41 0.00 0.00 60.65 58.86 1xa1 s ILE 152 Cb -0.05 -0.67 -0.02 0.00 0.13 0.00 0.00 42.46 41.86 1xa1 s ILE 152 CO 0.00 -0.16 0.67 -0.94 -1.91 0.00 0.00 174.94 172.60 1xa1 s SER 153 N -0.97 6.02 0.23 4.50 1.04 -1.26 -1.06 113.70 122.20 1xa1 s SER 153 Ca -0.10 0.47 -0.08 0.00 0.48 0.00 0.00 55.95 56.72 1xa1 s SER 153 Cb -0.04 -1.81 0.21 0.00 0.10 0.00 0.00 66.02 64.48 1xa1 s SER 153 CO 0.04 -0.59 1.89 -1.13 0.98 0.00 0.00 173.24 174.44 1xa1 h ASN 154 N 0.43 1.04 -0.35 7.02 -0.00 -1.64 0.56 115.58 122.65 1xa1 h ASN 154 Ca -0.47 -0.05 -0.02 0.00 -0.00 0.00 0.00 56.30 55.76 1xa1 h ASN 154 Cb 1.24 -0.26 -0.02 0.00 -0.00 0.00 0.00 38.32 39.28 1xa1 h ASN 154 CO 0.59 0.78 0.13 0.25 -0.00 0.00 0.00 177.43 179.18 1xa1 h LEU 155 N 1.21 0.49 -1.40 0.34 5.85 -1.38 -2.65 115.31 117.76 1xa1 h LEU 155 Ca 0.32 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.87 1xa1 h LEU 155 Cb -0.09 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 1xa1 h LEU 155 CO -0.06 0.53 0.41 -0.33 -0.34 0.00 0.00 178.44 178.65 1xa1 h GLU 156 N 0.41 0.81 -0.96 1.25 5.08 -1.67 -1.45 114.58 118.05 1xa1 h GLU 156 Ca 0.11 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1xa1 h GLU 156 Cb 0.21 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 1xa1 h GLU 156 CO -0.01 0.53 0.63 1.96 -1.00 0.00 0.00 179.01 181.12 1xa1 h GLN 157 N 0.83 1.15 -0.01 2.33 1.08 -0.54 0.27 115.11 120.22 1xa1 h GLN 157 Ca 0.23 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 1xa1 h GLN 157 Cb -0.09 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.08 1xa1 h GLN 157 CO -0.05 0.76 -0.05 0.28 -0.95 0.00 0.00 178.83 178.82 1xa1 h VAL 158 N 1.18 1.52 0.09 -0.54 2.07 -1.36 -2.60 116.25 116.60 1xa1 h VAL 158 Ca 0.39 -1.60 0.01 0.00 0.82 0.00 0.00 66.70 66.33 1xa1 h VAL 158 Cb 0.05 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 1xa1 h VAL 158 CO -0.13 0.42 -0.17 0.40 0.02 0.00 0.00 177.57 178.11 1xa1 h ILE 159 N -0.59 0.61 -0.60 4.57 2.04 -0.92 -1.99 117.51 120.63 1xa1 h ILE 159 Ca -0.00 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 1xa1 h ILE 159 Cb 0.72 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1xa1 h ILE 159 CO 0.01 0.00 0.05 0.58 0.00 0.00 0.00 178.15 178.79 1xa1 h VAL 160 N -0.32 1.26 -0.28 1.67 2.07 -0.59 -0.28 116.25 119.77 1xa1 h VAL 160 Ca 0.03 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 1xa1 h VAL 160 Cb 0.35 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1xa1 h VAL 160 CO -0.10 0.39 0.02 0.15 0.02 0.00 0.00 177.57 178.05 1xa1 h PHE 161 N 0.93 0.52 -0.02 1.57 -0.00 -1.43 -1.30 116.94 117.21 1xa1 h PHE 161 Ca 0.18 -0.08 0.01 0.00 -0.00 0.00 0.00 57.97 58.07 1xa1 h PHE 161 Cb 0.50 -0.14 -0.01 0.00 -0.00 0.00 0.00 35.95 36.30 1xa1 h PHE 161 CO 0.04 0.62 -0.01 -0.22 -0.00 0.00 0.00 178.31 178.73 1xa1 h LYS 162 N 0.28 -0.01 -0.84 1.11 3.11 -1.16 -1.94 116.57 117.11 1xa1 h LYS 162 Ca 0.08 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.92 1xa1 h LYS 162 Cb 0.40 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.59 1xa1 h LYS 162 CO 0.01 -0.01 0.52 -0.91 -2.81 0.00 0.00 179.45 176.25 1xa1 h ASN 163 N -0.01 0.99 -0.27 4.20 2.35 -0.98 0.16 115.58 122.01 1xa1 h ASN 163 Ca 0.01 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 1xa1 h ASN 163 Cb 0.03 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 1xa1 h ASN 163 CO -0.03 0.74 0.06 -0.03 -1.65 0.00 0.00 177.43 176.53 1xa1 h MET 164 N 1.15 0.43 0.04 0.81 4.05 -1.03 -3.25 114.93 117.12 1xa1 h MET 164 Ca 0.30 -0.10 -0.23 0.00 -0.28 0.00 0.00 59.70 59.39 1xa1 h MET 164 Cb -0.08 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.65 1xa1 h MET 164 CO -0.06 0.52 -1.05 0.52 0.23 0.00 0.00 176.91 177.08 1xa1 h MET 165 N 0.26 0.13 -1.12 0.39 2.86 -1.12 -3.48 114.93 112.86 1xa1 h MET 165 Ca 0.08 -0.20 -0.67 0.00 -2.06 0.00 0.00 59.70 56.86 1xa1 h MET 165 Cb 0.29 0.07 -0.32 0.00 0.06 0.00 0.00 31.60 31.70 1xa1 h MET 165 CO 0.00 1.05 0.57 0.39 1.06 0.00 0.00 176.91 179.98 1xa1 n GLU 166 N -3.48 2.88 0.00 1.72 -0.58 0.54 -5.09 120.64 116.63 1xa1 n GLU 166 Ca -0.04 -3.51 0.00 0.00 -0.42 0.00 0.00 57.16 53.19 1xa1 n GLU 166 Cb 0.93 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 1xa1 n GLU 166 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1xa1 n ASN 169 N -0.82 0.00 0.06 1.62 2.85 -1.26 -5.03 115.26 112.68 1xa1 n ASN 169 Ca 0.58 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 55.18 1xa1 n ASN 169 Cb 0.65 0.00 0.45 0.00 1.24 0.00 0.00 39.78 42.12 1xa1 n ASN 169 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xa1 n HIS 170 N -0.03 0.52 -2.22 1.20 1.44 -1.26 -4.69 115.22 110.17 1xa1 n HIS 170 Ca 0.00 0.15 -0.41 0.00 -2.01 0.00 0.00 57.72 55.45 1xa1 n HIS 170 Cb 0.00 -0.72 -0.03 0.00 0.12 0.00 0.00 29.99 29.36 1xa1 n HIS 170 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xa1 s PHE 171 N -3.07 3.26 0.55 -1.40 0.40 -1.26 -5.00 117.98 111.47 1xa1 s PHE 171 Ca 0.11 1.21 -0.10 0.00 -0.60 0.00 0.00 56.93 57.55 1xa1 s PHE 171 Cb 0.15 -3.60 -0.05 0.00 0.51 0.00 0.00 43.02 40.03 1xa1 s PHE 171 CO 0.59 -1.88 0.94 -1.54 0.70 0.00 0.00 175.22 174.03 1xa1 s SER 172 N 0.40 6.31 0.26 1.36 1.04 -1.26 -4.93 113.70 116.87 1xa1 s SER 172 Ca 0.57 1.28 -0.05 0.00 0.48 0.00 0.00 55.95 58.24 1xa1 s SER 172 Cb -0.36 -2.40 0.32 0.00 0.10 0.00 0.00 66.02 63.67 1xa1 s SER 172 CO 0.37 -0.72 1.91 0.50 0.98 0.00 0.00 173.24 176.29 1xa1 h LYS 173 N 0.11 1.25 -0.12 4.02 3.64 -1.94 -2.29 116.57 121.24 1xa1 h LYS 173 Ca -0.45 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 58.74 1xa1 h LYS 173 Cb 1.19 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 1xa1 h LYS 173 CO 0.62 0.83 -0.42 1.57 -2.27 0.00 0.00 179.45 179.78 1xa1 h LYS 174 N 1.29 0.28 -0.18 1.90 2.10 -1.99 -1.61 116.57 118.36 1xa1 h LYS 174 Ca 0.39 -0.14 -0.07 0.00 -2.00 0.00 0.00 60.65 58.84 1xa1 h LYS 174 Cb -0.03 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.29 1xa1 h LYS 174 CO -0.12 0.65 -0.16 0.00 -2.00 0.00 0.00 179.45 177.83 1xa1 h ALA 175 N 1.33 0.26 -0.38 0.07 0.00 -1.90 -2.13 119.26 116.51 1xa1 h ALA 175 Ca 0.02 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.67 1xa1 h ALA 175 Cb 0.84 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 1xa1 h ALA 175 CO 0.07 0.16 0.01 0.87 0.00 0.00 0.00 179.25 180.36 1xa1 h LYS 176 N 0.09 0.11 -0.77 0.00 1.57 -1.25 -0.38 116.57 115.94 1xa1 h LYS 176 Ca 0.03 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1xa1 h LYS 176 Cb 0.69 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 1xa1 h LYS 176 CO 0.04 0.07 0.30 -0.91 -0.57 0.00 0.00 179.45 178.39 1xa1 h ASN 177 N 0.11 1.05 -0.41 0.86 2.35 -1.25 -0.44 115.58 117.86 1xa1 h ASN 177 Ca 0.19 -0.16 -0.13 0.00 -0.55 0.00 0.00 56.30 55.64 1xa1 h ASN 177 Cb 0.26 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1xa1 h ASN 177 CO -0.31 0.93 -0.26 -0.61 -1.65 0.00 0.00 177.43 175.54 1xa1 h GLN 178 N 1.11 0.93 0.14 0.81 4.15 -1.04 -1.92 115.11 119.29 1xa1 h GLN 178 Ca 0.26 -0.41 -0.01 0.00 0.77 0.00 0.00 58.65 59.26 1xa1 h GLN 178 Cb 0.21 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1xa1 h GLN 178 CO -0.02 1.07 -0.07 1.25 -1.93 0.00 0.00 178.83 179.13 1xa1 h LEU 179 N 0.79 -0.16 -0.84 -2.39 5.85 -0.65 -2.75 115.31 115.15 1xa1 h LEU 179 Ca 0.10 -0.13 0.14 0.00 0.84 0.00 0.00 57.88 58.83 1xa1 h LEU 179 Cb 0.82 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.80 1xa1 h LEU 179 CO 0.07 0.04 0.44 0.28 -0.34 0.00 0.00 178.44 178.93 1xa1 h SER 180 N -0.35 0.54 -0.68 1.25 0.02 -1.04 -1.51 113.55 111.79 1xa1 h SER 180 Ca -0.02 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1xa1 h SER 180 Cb 0.28 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 1xa1 h SER 180 CO 0.03 0.24 0.43 0.28 -1.14 0.00 0.00 176.83 176.67 1xa1 h SER 181 N 0.64 0.80 1.00 3.07 0.02 -1.13 -0.98 113.55 116.97 1xa1 h SER 181 Ca 0.45 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.36 1xa1 h SER 181 Cb 0.61 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 1xa1 h SER 181 CO -0.35 0.60 -0.04 0.77 -1.14 0.00 0.00 176.83 176.67 1xa1 h SER 182 N 0.93 0.00 -0.01 3.07 4.64 -1.00 -3.16 113.55 118.02 1xa1 h SER 182 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1xa1 h SER 182 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1xa1 h SER 182 CO -0.05 0.04 -0.17 0.18 -0.87 0.00 0.00 176.83 175.95 1xa1 n LEU 183 N -3.15 2.41 -4.68 5.97 4.77 -0.40 -4.51 117.00 117.42 1xa1 n LEU 183 Ca 0.00 -0.83 -0.42 0.00 -0.03 0.00 0.00 56.01 54.74 1xa1 n LEU 183 Cb 0.32 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 1xa1 n LEU 183 CO 0.28 0.42 1.31 -0.22 -1.33 0.00 0.00 177.39 177.85 1xa1 s LEU 184 N -2.19 4.34 -0.18 2.23 2.96 -1.06 -1.07 118.68 123.71 1xa1 s LEU 184 Ca 0.26 2.32 -0.03 0.00 -0.22 0.00 0.00 54.13 56.46 1xa1 s LEU 184 Cb 0.19 -3.55 -0.10 0.00 0.50 0.00 0.00 46.19 43.23 1xa1 s LEU 184 CO 0.41 -0.87 -0.19 -0.38 -1.32 0.00 0.00 176.35 174.00 1xa1 n ILE 185 N 5.02 1.01 -3.87 6.68 5.41 0.30 -4.94 119.36 128.98 1xa1 n ILE 185 Ca 0.16 -0.34 -0.12 0.00 1.00 0.00 0.00 62.75 63.45 1xa1 n ILE 185 Cb 0.42 -1.36 -0.13 0.00 -0.71 0.00 0.00 39.64 37.86 1xa1 n ILE 185 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1xa1 s LYS 186 N -2.35 0.10 -0.06 0.38 2.20 -0.92 -5.00 119.74 114.09 1xa1 s LYS 186 Ca -0.25 -0.02 -0.02 0.00 -0.36 0.00 0.00 55.97 55.32 1xa1 s LYS 186 Cb 0.08 0.04 0.04 0.00 -1.51 0.00 0.00 37.83 36.48 1xa1 s LYS 186 CO 0.38 -0.02 0.12 0.21 -0.36 0.00 0.00 175.35 175.69 1xa1 s LYS 187 N -0.18 0.05 0.00 4.03 2.20 -1.26 -0.44 119.74 124.13 1xa1 s LYS 187 Ca -0.02 0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 1xa1 s LYS 187 Cb -0.02 -0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.07 1xa1 s LYS 187 CO 0.00 -0.21 0.00 0.27 -0.36 0.00 0.00 175.35 175.05 1xa1 n ASN 188 N 4.52 0.44 0.25 1.43 0.23 -0.49 -5.01 115.26 116.62 1xa1 n ASN 188 Ca -0.21 -0.68 0.12 0.00 -0.53 0.00 0.00 54.58 53.28 1xa1 n ASN 188 Cb 0.51 0.00 0.63 0.00 -2.08 0.00 0.00 39.78 38.84 1xa1 n ASN 188 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1xa1 h GLU 189 N 0.00 0.00 0.00 -3.83 4.11 -2.02 -3.24 114.58 109.60 1xa1 h GLU 189 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.13 1xa1 h GLU 189 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1xa1 h GLU 189 CO 0.00 0.16 -2.09 1.63 0.07 0.00 0.00 179.01 178.78 1xa1 n LYS 190 N -3.55 0.67 -3.69 1.06 4.76 -1.26 -4.93 118.16 111.20 1xa1 n LYS 190 Ca -0.01 0.08 -0.10 0.00 -2.87 0.00 0.00 58.31 55.41 1xa1 n LYS 190 Cb 0.31 -1.62 -0.04 0.00 -1.84 0.00 0.00 35.03 31.84 1xa1 n LYS 190 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 1xa1 s TYR 191 N -2.64 -0.16 -0.12 2.13 1.13 -1.22 -3.61 117.35 112.86 1xa1 s TYR 191 Ca -0.08 -0.17 0.02 0.00 -1.41 0.00 0.00 57.07 55.43 1xa1 s TYR 191 Cb 0.07 0.37 0.02 0.00 -1.10 0.00 0.00 41.96 41.32 1xa1 s TYR 191 CO 0.83 -0.87 -0.16 -1.21 -2.51 0.00 0.00 175.55 171.63 1xa1 s GLU 192 N -3.85 2.37 -0.16 -3.49 2.02 -0.19 -1.40 118.70 114.00 1xa1 s GLU 192 Ca 0.07 -0.61 -0.02 0.00 0.02 0.00 0.00 54.97 54.43 1xa1 s GLU 192 Cb -0.00 -2.03 -0.02 0.00 0.10 0.00 0.00 34.13 32.18 1xa1 s GLU 192 CO -0.05 -0.09 -0.07 -1.17 0.02 0.00 0.00 175.26 173.89 1xa1 s LEU 193 N 1.07 2.97 0.11 1.80 2.96 0.42 -0.81 118.68 127.19 1xa1 s LEU 193 Ca -0.04 -0.26 0.11 0.00 -0.22 0.00 0.00 54.13 53.71 1xa1 s LEU 193 Cb -0.15 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 1xa1 s LEU 193 CO -0.04 0.13 -0.26 -0.31 -1.32 0.00 0.00 176.35 174.55 1xa1 s TYR 194 N 0.61 2.33 0.00 5.38 2.02 0.30 -0.54 117.35 127.45 1xa1 s TYR 194 Ca -0.05 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.27 1xa1 s TYR 194 Cb -0.15 -1.28 0.00 0.00 -0.40 0.00 0.00 41.96 40.13 1xa1 s TYR 194 CO 0.03 0.30 0.00 0.41 -1.57 0.00 0.00 175.55 174.72 1xa1 n GLY 195 N 1.07 -0.48 3.02 0.71 0.00 -0.23 -1.71 105.19 107.57 1xa1 n GLY 195 Ca -0.18 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 1xa1 n GLY 195 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xa1 s LYS 196 N -2.00 0.18 0.52 1.61 2.47 0.35 -4.79 119.74 118.08 1xa1 s LYS 196 Ca 0.00 0.42 -0.08 0.00 -1.56 0.00 0.00 55.97 54.75 1xa1 s LYS 196 Cb 0.00 -0.08 -0.04 0.00 -1.46 0.00 0.00 37.83 36.25 1xa1 s LYS 196 CO 0.00 -0.13 0.88 0.95 0.16 0.00 0.00 175.35 177.21 1xa1 s THR 197 N 0.94 4.81 -0.13 3.43 -4.23 -1.26 -1.52 115.64 117.67 1xa1 s THR 197 Ca -0.07 0.52 -0.13 0.00 -1.18 0.00 0.00 61.69 60.83 1xa1 s THR 197 Cb -0.08 -3.85 0.04 0.00 1.34 0.00 0.00 72.50 69.94 1xa1 s THR 197 CO -0.06 -0.92 0.37 -0.83 -0.54 0.00 0.00 174.62 172.65 1xa1 s GLY 198 N -4.00 -0.28 -0.02 3.99 0.00 -0.76 -3.40 107.32 102.86 1xa1 s GLY 198 Ca 0.51 1.02 -0.00 0.00 0.00 0.00 0.00 44.72 46.25 1xa1 s GLY 198 CO 0.46 0.87 0.03 -1.59 0.00 0.00 0.00 173.10 172.87 1xa1 s THR 199 N 0.11 -0.05 -0.14 0.90 2.01 -1.26 -0.60 115.64 116.62 1xa1 s THR 199 Ca -0.01 0.20 -0.02 0.00 0.31 0.00 0.00 61.69 62.17 1xa1 s THR 199 Cb -0.03 -0.08 -0.02 0.00 0.01 0.00 0.00 72.50 72.38 1xa1 s THR 199 CO 0.01 0.08 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.11 1xa1 s GLY 200 N 0.98 1.64 -0.19 4.40 0.00 0.81 -4.73 107.32 110.22 1xa1 s GLY 200 Ca -0.08 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1xa1 s GLY 200 CO -0.03 -0.18 -0.17 -0.42 0.00 0.00 0.00 173.10 172.31 1xa1 s ILE 201 N 0.25 2.35 -0.16 0.90 1.01 -1.26 -1.27 121.20 123.02 1xa1 s ILE 201 Ca -0.06 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1xa1 s ILE 201 Cb -0.15 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.33 1xa1 s ILE 201 CO 0.04 0.52 -0.18 -0.69 0.00 0.00 0.00 174.94 174.62 1xa1 s VAL 202 N 1.31 2.29 -1.47 2.92 1.01 -0.45 -4.76 120.40 121.25 1xa1 s VAL 202 Ca 0.05 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 1xa1 s VAL 202 Cb -0.13 -1.96 0.06 0.00 0.00 0.00 0.00 36.38 34.35 1xa1 s VAL 202 CO -0.10 0.53 1.05 -3.20 0.00 0.00 0.00 175.10 173.37 1xa1 n ASN 203 N 4.34 -5.25 0.00 3.32 5.15 -1.26 -1.94 115.26 119.61 1xa1 n ASN 203 Ca -0.20 -0.70 0.00 0.00 -0.60 0.00 0.00 54.58 53.08 1xa1 n ASN 203 Cb 0.51 -4.28 0.00 0.00 -0.53 0.00 0.00 39.78 35.48 1xa1 n ASN 203 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xa1 n GLY 204 N -1.79 2.29 3.60 8.20 0.00 -1.26 -5.02 105.19 111.21 1xa1 n GLY 204 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1xa1 n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xa1 s LYS 205 N -0.29 2.62 0.20 1.61 -0.14 -0.82 -5.08 119.74 117.83 1xa1 s LYS 205 Ca 0.00 -0.68 -0.32 0.00 -1.36 0.00 0.00 55.97 53.61 1xa1 s LYS 205 Cb 0.00 -2.54 -0.12 0.00 -1.68 0.00 0.00 37.83 33.49 1xa1 s LYS 205 CO 0.00 0.62 1.70 0.66 -0.76 0.00 0.00 175.35 177.56 1xa1 n TYR 206 N 1.64 2.66 -1.77 3.18 0.53 -1.26 -1.34 117.16 120.81 1xa1 n TYR 206 Ca -0.16 0.08 0.00 0.00 -1.02 0.00 0.00 57.90 56.81 1xa1 n TYR 206 Cb 0.53 -2.65 0.00 0.00 -1.03 0.00 0.00 39.34 36.19 1xa1 n TYR 206 CO 0.00 0.00 0.00 0.27 -1.02 0.00 0.00 176.86 176.11 1xa1 n ASN 207 N 3.84 0.00 -3.07 7.72 6.94 -0.39 -4.60 115.26 125.70 1xa1 n ASN 207 Ca 0.16 -1.74 0.04 0.00 -0.02 0.00 0.00 54.58 53.02 1xa1 n ASN 207 Cb 0.34 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 1xa1 n ASN 207 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1xa1 s ASN 208 N -0.74 -0.74 -0.01 0.53 2.47 -1.14 -4.69 114.94 110.61 1xa1 s ASN 208 Ca 0.00 -0.06 0.05 0.00 0.42 0.00 0.00 52.86 53.27 1xa1 s ASN 208 Cb 0.00 1.30 -0.03 0.00 -1.45 0.00 0.00 41.25 41.07 1xa1 s ASN 208 CO 0.00 -0.12 -0.15 -0.83 -3.72 0.00 0.00 177.10 172.28 1xa1 s GLY 209 N 2.60 1.56 0.03 1.21 0.00 -0.18 -0.13 107.32 112.40 1xa1 s GLY 209 Ca 0.20 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.89 1xa1 s GLY 209 CO -0.20 -0.88 -0.06 -0.98 0.00 0.00 0.00 173.10 170.97 1xa1 s TRP 210 N -0.82 0.54 -0.06 1.90 0.52 0.24 -0.46 118.94 120.80 1xa1 s TRP 210 Ca 0.13 -0.39 -0.03 0.00 0.02 0.00 0.00 56.10 55.84 1xa1 s TRP 210 Cb -0.11 -0.33 0.04 0.00 -1.15 0.00 0.00 33.47 31.92 1xa1 s TRP 210 CO 0.03 -0.08 0.10 0.12 0.02 0.00 0.00 176.95 177.14 1xa1 s PHE 211 N -1.04 -0.05 -0.09 -1.98 5.36 -0.52 -1.82 117.98 117.84 1xa1 s PHE 211 Ca -0.08 0.41 0.03 0.00 -0.96 0.00 0.00 56.93 56.33 1xa1 s PHE 211 Cb -0.08 -0.38 0.01 0.00 -0.34 0.00 0.00 43.02 42.23 1xa1 s PHE 211 CO 0.00 -0.22 -0.17 0.08 -1.46 0.00 0.00 175.22 173.45 1xa1 s VAL 212 N 2.21 1.57 0.00 3.12 1.01 -0.58 -1.03 120.40 126.70 1xa1 s VAL 212 Ca 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1xa1 s VAL 212 Cb -0.12 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1xa1 s VAL 212 CO -0.04 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1xa1 n GLY 213 N 3.87 1.91 3.32 4.51 0.00 -0.53 -0.50 105.19 117.77 1xa1 n GLY 213 Ca -0.20 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 1xa1 n GLY 213 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xa1 s TYR 214 N -4.78 -0.05 -0.02 1.61 1.13 -0.70 -1.26 117.35 113.29 1xa1 s TYR 214 Ca 0.00 -0.30 0.01 0.00 -1.41 0.00 0.00 57.07 55.37 1xa1 s TYR 214 Cb 0.00 0.17 0.01 0.00 -1.10 0.00 0.00 41.96 41.05 1xa1 s TYR 214 CO 0.00 -0.70 -0.03 0.54 -2.51 0.00 0.00 175.55 172.86 1xa1 s VAL 215 N -3.84 0.32 -0.25 -3.49 0.11 0.00 -0.54 120.40 112.71 1xa1 s VAL 215 Ca 0.06 -0.07 -0.06 0.00 -2.93 0.00 0.00 61.98 58.97 1xa1 s VAL 215 Cb 0.02 -0.33 -0.02 0.00 -1.53 0.00 0.00 36.38 34.52 1xa1 s VAL 215 CO -0.09 0.14 0.05 -0.63 -3.33 0.00 0.00 175.10 171.23 1xa1 s ILE 216 N 0.50 4.06 0.56 7.04 1.01 0.01 -1.10 121.20 133.28 1xa1 s ILE 216 Ca -0.05 -0.31 0.06 0.00 0.00 0.00 0.00 60.65 60.35 1xa1 s ILE 216 Cb -0.09 -2.91 0.06 0.00 0.01 0.00 0.00 42.46 39.53 1xa1 s ILE 216 CO -0.01 0.33 0.52 0.35 0.00 0.00 0.00 174.94 176.13 1xa1 n THR 217 N 4.89 0.00 0.31 2.92 -2.24 -0.37 -1.02 114.28 118.77 1xa1 n THR 217 Ca -0.16 -2.11 0.15 0.00 -2.27 0.00 0.00 64.05 59.66 1xa1 n THR 217 Cb 0.51 -0.16 0.68 0.00 -2.10 0.00 0.00 70.33 69.25 1xa1 n THR 217 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xa1 h ASN 218 N 0.50 0.00 0.00 3.42 -1.07 -1.92 -3.31 115.58 113.19 1xa1 h ASN 218 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.04 1xa1 h ASN 218 Cb 1.26 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.51 1xa1 h ASN 218 CO 0.50 0.00 0.00 1.41 0.07 0.00 0.00 177.43 179.41 1xa1 n HIS 219 N -2.62 0.00 -3.65 4.14 8.25 -1.26 -5.10 115.22 114.98 1xa1 n HIS 219 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.48 1xa1 n HIS 219 Cb 0.19 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.30 1xa1 n HIS 219 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1xa1 s ASP 220 N -0.32 -0.06 -0.05 0.41 3.68 -1.25 -4.96 116.67 114.11 1xa1 s ASP 220 Ca 0.00 -0.16 0.04 0.00 2.13 0.00 0.00 52.55 54.56 1xa1 s ASP 220 Cb 0.00 0.18 0.00 0.00 -1.45 0.00 0.00 42.92 41.66 1xa1 s ASP 220 CO 0.00 -0.34 -0.16 -0.75 0.13 0.00 0.00 175.17 174.05 1xa1 s LYS 221 N -2.45 1.77 -0.05 4.34 2.20 -1.26 -1.23 119.74 123.05 1xa1 s LYS 221 Ca 0.15 -0.56 0.05 0.00 -0.36 0.00 0.00 55.97 55.25 1xa1 s LYS 221 Cb 0.04 -1.51 -0.01 0.00 -1.51 0.00 0.00 37.83 34.85 1xa1 s LYS 221 CO -0.03 0.19 -0.21 0.71 -0.36 0.00 0.00 175.35 175.64 1xa1 s TYR 222 N 0.19 2.10 0.01 4.03 2.02 -0.26 -1.49 117.35 123.95 1xa1 s TYR 222 Ca -0.07 -0.64 -0.03 0.00 -0.37 0.00 0.00 57.07 55.96 1xa1 s TYR 222 Cb -0.12 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 40.00 1xa1 s TYR 222 CO 0.03 -0.21 0.21 0.71 -1.57 0.00 0.00 175.55 174.71 1xa1 s TYR 223 N -0.01 3.55 0.16 2.71 1.51 -0.36 -0.82 117.35 124.09 1xa1 s TYR 223 Ca -0.05 0.39 -0.19 0.00 -1.01 0.00 0.00 57.07 56.21 1xa1 s TYR 223 Cb -0.13 -1.86 0.05 0.00 -0.11 0.00 0.00 41.96 39.91 1xa1 s TYR 223 CO 0.03 0.63 0.52 -0.59 -1.11 0.00 0.00 175.55 175.03 1xa1 s PHE 224 N -1.35 -0.33 -0.23 2.71 -0.12 -0.39 0.38 117.98 118.65 1xa1 s PHE 224 Ca 0.29 0.05 -0.21 0.00 -0.05 0.00 0.00 56.93 57.00 1xa1 s PHE 224 Cb -0.13 0.43 0.06 0.00 -0.63 0.00 0.00 43.02 42.75 1xa1 s PHE 224 CO 0.19 -0.82 0.62 0.00 -0.05 0.00 0.00 175.22 175.16 1xa1 s ALA 225 N -3.80 -1.55 -0.10 1.99 0.00 -0.33 -1.45 121.76 116.52 1xa1 s ALA 225 Ca 0.04 1.78 0.01 0.00 0.00 0.00 0.00 51.96 53.79 1xa1 s ALA 225 Cb -0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 1xa1 s ALA 225 CO -0.10 -0.30 -0.12 0.99 0.00 0.00 0.00 175.76 176.23 1xa1 s THR 226 N 0.42 3.16 -0.06 0.00 2.01 -0.20 -1.64 115.64 119.33 1xa1 s THR 226 Ca -0.01 -0.65 0.06 0.00 0.31 0.00 0.00 61.69 61.41 1xa1 s THR 226 Cb -0.04 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.15 1xa1 s THR 226 CO -0.00 0.55 -0.24 -2.28 -0.69 0.00 0.00 174.62 171.95 1xa1 s HIS 227 N -0.07 2.46 -0.07 4.92 2.46 -0.65 -1.43 115.29 122.90 1xa1 s HIS 227 Ca -0.02 -0.66 0.04 0.00 0.47 0.00 0.00 55.06 54.89 1xa1 s HIS 227 Cb -0.14 -1.60 -0.02 0.00 -0.13 0.00 0.00 32.58 30.69 1xa1 s HIS 227 CO 0.04 -0.18 -0.19 -0.51 -2.47 0.00 0.00 174.74 171.43 1xa1 s LEU 228 N -0.22 2.45 -0.02 8.88 1.43 0.39 -1.20 118.68 130.38 1xa1 s LEU 228 Ca -0.02 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.75 1xa1 s LEU 228 Cb -0.13 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 1xa1 s LEU 228 CO 0.03 0.26 0.03 -1.54 0.23 0.00 0.00 176.35 175.36 1xa1 n SER 229 N 2.85 4.25 -4.10 2.29 3.41 -0.42 -1.01 113.62 120.89 1xa1 n SER 229 Ca -0.17 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.35 1xa1 n SER 229 Cb 0.52 0.73 -0.10 0.00 -0.26 0.00 0.00 64.21 65.10 1xa1 n SER 229 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xa1 s ASP 230 N -3.10 0.66 0.02 4.04 1.01 -1.20 -4.62 116.67 113.48 1xa1 s ASP 230 Ca -0.01 -0.96 0.00 0.00 0.71 0.00 0.00 52.55 52.29 1xa1 s ASP 230 Cb 0.01 0.16 0.00 0.00 1.01 0.00 0.00 42.92 44.10 1xa1 s ASP 230 CO 0.13 -0.53 0.00 0.61 0.21 0.00 0.00 175.17 175.59 1xa1 n GLY 231 N 0.21 0.98 2.31 0.21 0.00 -1.26 -1.55 105.19 106.09 1xa1 n GLY 231 Ca -0.14 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 44.84 1xa1 n GLY 231 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xa1 n LYS 232 N 0.00 1.68 -1.67 1.61 4.81 -1.26 -5.02 118.16 118.31 1xa1 n LYS 232 Ca 0.00 -3.99 -0.41 0.00 -0.87 0.00 0.00 58.31 53.04 1xa1 n LYS 232 Cb 0.00 -1.77 -0.01 0.00 0.02 0.00 0.00 35.03 33.27 1xa1 n LYS 232 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1xa1 n PRO 233 N 1.10 3.43 -4.00 1.64 -0.04 -1.26 -4.71 135.00 131.15 1xa1 n PRO 233 Ca 0.26 -2.64 -0.21 0.00 -0.04 0.00 0.00 63.50 60.86 1xa1 n PRO 233 Cb 0.47 -3.00 -0.03 0.00 -0.04 0.00 0.00 33.50 30.90 1xa1 n PRO 233 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1xa1 s SER 234 N 2.27 5.99 0.21 3.54 1.04 -1.26 -1.49 113.70 123.99 1xa1 s SER 234 Ca 0.55 -0.07 -0.08 0.00 0.48 0.00 0.00 55.95 56.83 1xa1 s SER 234 Cb 0.15 -1.65 0.15 0.00 0.10 0.00 0.00 66.02 64.77 1xa1 s SER 234 CO -0.07 -0.08 1.77 1.23 0.98 0.00 0.00 173.24 177.08 1xa1 h GLY 235 N 1.28 1.25 0.37 7.32 0.00 -1.72 -0.87 103.07 110.70 1xa1 h GLY 235 Ca -0.50 -0.68 0.08 0.00 0.00 0.00 0.00 47.33 46.22 1xa1 h GLY 235 CO 0.61 0.64 0.05 1.70 0.00 0.00 0.00 176.54 179.54 1xa1 h LYS 236 N 1.13 0.16 -0.32 4.80 3.64 -1.86 -0.05 116.57 124.07 1xa1 h LYS 236 Ca 0.26 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.53 1xa1 h LYS 236 Cb 0.22 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1xa1 h LYS 236 CO -0.02 0.11 -0.21 -0.97 -2.27 0.00 0.00 179.45 176.09 1xa1 h ASN 237 N 0.17 0.61 -0.11 4.20 -1.24 -1.77 -2.09 115.58 115.35 1xa1 h ASN 237 Ca 0.22 -0.20 -0.07 0.00 0.71 0.00 0.00 56.30 56.95 1xa1 h ASN 237 Cb 0.30 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 1xa1 h ASN 237 CO -0.32 0.82 -0.14 0.00 -1.29 0.00 0.00 177.43 176.50 1xa1 h ALA 238 N 1.23 1.25 -0.20 1.57 0.00 -0.52 -0.86 119.26 121.74 1xa1 h ALA 238 Ca 0.08 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1xa1 h ALA 238 Cb 0.66 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1xa1 h ALA 238 CO 0.05 0.49 -0.15 1.49 0.00 0.00 0.00 179.25 181.13 1xa1 h GLU 239 N 0.43 0.45 -0.39 0.00 4.81 -0.74 -1.48 114.58 117.66 1xa1 h GLU 239 Ca 0.08 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1xa1 h GLU 239 Cb 0.50 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1xa1 h GLU 239 CO 0.03 0.77 0.25 -0.07 -0.73 0.00 0.00 179.01 179.26 1xa1 h LEU 240 N 0.13 0.45 -0.59 1.64 3.38 -1.01 -1.00 115.31 118.31 1xa1 h LEU 240 Ca 0.04 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1xa1 h LEU 240 Cb 0.67 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1xa1 h LEU 240 CO 0.04 0.35 0.27 0.40 0.09 0.00 0.00 178.44 179.58 1xa1 h ILE 241 N 0.52 1.22 -0.11 1.22 2.04 -1.15 -0.38 117.51 120.86 1xa1 h ILE 241 Ca 0.14 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.38 1xa1 h ILE 241 Cb -0.03 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1xa1 h ILE 241 CO -0.03 0.26 -0.04 0.28 0.00 0.00 0.00 178.15 178.61 1xa1 h SER 242 N 0.81 -0.15 -0.67 1.72 0.02 -0.85 -0.53 113.55 113.90 1xa1 h SER 242 Ca 0.20 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 1xa1 h SER 242 Cb 0.15 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 1xa1 h SER 242 CO -0.02 -0.06 0.22 -0.33 -1.14 0.00 0.00 176.83 175.50 1xa1 h GLU 243 N -0.03 1.05 -0.57 3.45 5.08 -0.90 0.06 114.58 122.72 1xa1 h GLU 243 Ca 0.06 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 1xa1 h GLU 243 Cb 0.12 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1xa1 h GLU 243 CO -0.13 0.89 0.17 -0.22 -1.00 0.00 0.00 179.01 178.72 1xa1 h LYS 244 N 1.01 0.88 -0.34 2.33 3.64 -0.73 -1.58 116.57 121.79 1xa1 h LYS 244 Ca 0.23 -0.19 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 1xa1 h LYS 244 Cb 0.27 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1xa1 h LYS 244 CO -0.01 0.80 -0.07 0.82 -2.27 0.00 0.00 179.45 178.72 1xa1 h ILE 245 N 0.80 1.28 -0.73 2.00 2.04 -0.82 -1.90 117.51 120.17 1xa1 h ILE 245 Ca 0.18 -1.12 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 1xa1 h ILE 245 Cb 0.29 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1xa1 h ILE 245 CO -0.01 0.37 0.25 -0.07 0.00 0.00 0.00 178.15 178.69 1xa1 h LEU 246 N 0.44 1.05 -0.27 1.44 3.38 -0.88 -0.97 115.31 119.50 1xa1 h LEU 246 Ca 0.09 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1xa1 h LEU 246 Cb 0.57 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1xa1 h LEU 246 CO 0.03 0.97 0.11 0.50 0.09 0.00 0.00 178.44 180.14 1xa1 h LYS 247 N 1.08 0.41 -0.50 1.13 3.64 -1.22 -1.32 116.57 119.79 1xa1 h LYS 247 Ca 0.24 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1xa1 h LYS 247 Cb 0.28 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1xa1 h LYS 247 CO -0.01 0.43 0.28 1.49 -2.27 0.00 0.00 179.45 179.37 1xa1 h GLU 248 N 0.29 0.68 -0.00 1.90 4.22 -0.99 -1.75 114.58 118.92 1xa1 h GLU 248 Ca 0.09 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1xa1 h GLU 248 Cb 0.17 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1xa1 h GLU 248 CO -0.01 0.49 -0.07 -1.33 -2.18 0.00 0.00 179.01 175.92 1xa1 n MET 249 N -4.42 0.48 -0.47 1.92 2.81 -0.40 -4.91 117.12 112.14 1xa1 n MET 249 Ca 0.04 -0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 1xa1 n MET 249 Cb 0.09 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 1xa1 n MET 249 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xa1 n GLY 250 N 1.31 0.75 0.20 3.03 0.00 -0.66 -4.96 105.19 104.85 1xa1 n GLY 250 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 1xa1 n GLY 250 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xa1 h VAL 251 N 0.00 1.32 -0.02 1.61 2.07 -1.45 -3.49 116.25 116.29 1xa1 h VAL 251 Ca 0.00 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.62 1xa1 h VAL 251 Cb 0.00 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1xa1 h VAL 251 CO 0.00 0.59 0.00 0.18 0.02 0.00 0.00 177.57 178.36