#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xa1 s TYR 9 N 0.00 3.20 -0.57 3.10 5.04 0.12 -4.92 117.35 123.33 1xa1 s TYR 9 Ca 0.00 0.82 0.09 0.00 -2.44 0.00 0.00 57.07 55.54 1xa1 s TYR 9 Cb 0.00 -3.22 -0.07 0.00 0.35 0.00 0.00 41.96 39.02 1xa1 s TYR 9 CO 0.00 -0.56 0.46 0.36 -1.34 0.00 0.00 175.55 174.47 1xa1 n LYS 10 N 6.20 3.42 -1.72 4.97 -0.00 -1.26 -4.83 118.16 124.93 1xa1 n LYS 10 Ca 0.04 -0.18 -0.42 0.00 -0.00 0.00 0.00 58.31 57.75 1xa1 n LYS 10 Cb 0.48 -0.97 -0.03 0.00 -0.00 0.00 0.00 35.03 34.51 1xa1 n LYS 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1xa1 n LYS 11 N -0.93 2.76 -1.74 -1.58 4.81 -1.26 -4.90 118.16 115.32 1xa1 n LYS 11 Ca 0.02 0.99 -0.41 0.00 -0.87 0.00 0.00 58.31 58.04 1xa1 n LYS 11 Cb 0.16 -2.83 0.00 0.00 0.02 0.00 0.00 35.03 32.38 1xa1 n LYS 11 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1xa1 n PRO 12 N 3.66 2.37 -3.34 1.64 -0.02 -1.26 -4.97 135.00 133.08 1xa1 n PRO 12 Ca 0.15 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 62.04 1xa1 n PRO 12 Cb 0.35 -2.53 -0.09 0.00 -0.02 0.00 0.00 33.50 31.21 1xa1 n PRO 12 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1xa1 s LEU 13 N -1.80 4.64 -0.01 2.45 2.96 -1.26 -4.97 118.68 120.69 1xa1 s LEU 13 Ca 0.56 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 1xa1 s LEU 13 Cb -0.50 -2.39 0.02 0.00 0.50 0.00 0.00 46.19 43.82 1xa1 s LEU 13 CO 0.62 -0.48 0.84 1.41 -1.32 0.00 0.00 176.35 177.42 1xa1 n HIS 14 N 5.54 0.08 -4.82 5.38 8.25 -1.26 -4.85 115.22 123.54 1xa1 n HIS 14 Ca -0.08 -0.34 -0.33 0.00 -0.26 0.00 0.00 57.72 56.71 1xa1 n HIS 14 Cb 0.48 -0.21 -0.13 0.00 1.12 0.00 0.00 29.99 31.25 1xa1 n HIS 14 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1xa1 s ASN 15 N 0.57 4.12 -1.24 0.41 3.84 -1.26 -5.02 114.94 116.37 1xa1 s ASN 15 Ca 0.02 -0.20 -0.19 0.00 0.21 0.00 0.00 52.86 52.69 1xa1 s ASN 15 Cb 0.01 -1.11 -0.00 0.00 -0.55 0.00 0.00 41.25 39.60 1xa1 s ASN 15 CO 0.00 0.30 1.91 0.47 -2.79 0.00 0.00 177.10 176.99 1xa1 n ASP 16 N 2.64 3.97 -4.88 -4.21 10.43 -1.26 -4.95 116.55 118.29 1xa1 n ASP 16 Ca -0.18 -2.82 -0.30 0.00 2.57 0.00 0.00 54.79 54.07 1xa1 n ASP 16 Cb 0.52 -1.65 0.02 0.00 1.84 0.00 0.00 41.12 41.85 1xa1 n ASP 16 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 1xa1 s TYR 17 N 5.79 3.52 -0.25 1.24 1.13 -1.26 -4.78 117.35 122.74 1xa1 s TYR 17 Ca 0.57 1.11 -0.12 0.00 -1.41 0.00 0.00 57.07 57.22 1xa1 s TYR 17 Cb 0.06 -2.74 -0.05 0.00 -1.10 0.00 0.00 41.96 38.13 1xa1 s TYR 17 CO 0.07 -0.75 0.22 -1.14 -2.51 0.00 0.00 175.55 171.43 1xa1 s GLN 18 N -5.14 4.05 0.33 -3.49 2.00 0.38 -4.98 119.66 112.81 1xa1 s GLN 18 Ca 0.54 -0.20 -0.28 0.00 -2.00 0.00 0.00 55.36 53.43 1xa1 s GLN 18 Cb -0.11 -3.58 -0.09 0.00 0.80 0.00 0.00 33.01 30.03 1xa1 s GLN 18 CO 0.51 -0.04 1.14 -1.50 -0.50 0.00 0.00 175.29 174.90 1xa1 s ILE 19 N 1.36 3.32 0.16 -2.34 1.10 -1.26 -1.56 121.20 121.98 1xa1 s ILE 19 Ca 0.09 1.23 0.10 0.00 -0.51 0.00 0.00 60.65 61.56 1xa1 s ILE 19 Cb -0.14 -3.74 -0.04 0.00 0.15 0.00 0.00 42.46 38.68 1xa1 s ILE 19 CO 0.07 0.22 -0.22 -0.76 -2.11 0.00 0.00 174.94 172.14 1xa1 s LEU 20 N -1.91 2.40 -0.35 8.50 1.43 0.08 -4.85 118.68 123.97 1xa1 s LEU 20 Ca 0.50 -0.82 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1xa1 s LEU 20 Cb -0.31 -1.01 0.11 0.00 0.03 0.00 0.00 46.19 45.00 1xa1 s LEU 20 CO 0.40 0.07 0.11 -0.62 0.23 0.00 0.00 176.35 176.54 1xa1 s ASP 21 N -2.47 4.34 -0.34 2.29 3.68 -1.26 -4.41 116.67 118.50 1xa1 s ASP 21 Ca 0.16 -2.09 0.07 0.00 2.13 0.00 0.00 52.55 52.82 1xa1 s ASP 21 Cb -0.08 -1.28 0.56 0.00 -1.45 0.00 0.00 42.92 40.67 1xa1 s ASP 21 CO 0.07 -0.37 1.61 0.29 0.13 0.00 0.00 175.17 176.90 1xa1 n LYS 22 N 4.30 1.98 -0.11 4.34 4.76 -1.26 -4.72 118.16 127.45 1xa1 n LYS 22 Ca 0.02 -3.14 0.04 0.00 -2.87 0.00 0.00 58.31 52.37 1xa1 n LYS 22 Cb 0.40 -1.93 0.37 0.00 -1.84 0.00 0.00 35.03 32.03 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 1.02 0.61 0.05 4.39 4.64 -1.97 -1.28 113.55 121.01 1xa1 h SER 23 Ca 0.35 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.66 1xa1 h SER 23 Cb 2.04 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.98 1xa1 h SER 23 CO 0.61 0.43 -0.02 0.50 -0.87 0.00 0.00 176.83 177.48 1xa1 h LYS 24 N 0.72 -0.06 -0.42 4.77 3.64 -1.93 -0.56 116.57 122.72 1xa1 h LYS 24 Ca 0.23 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.53 1xa1 h LYS 24 Cb 0.04 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1xa1 h LYS 24 CO -0.06 0.09 -0.06 0.82 -2.27 0.00 0.00 179.45 177.97 1xa1 h ILE 25 N -0.20 1.24 -0.03 2.00 2.04 -1.86 -2.67 117.51 118.03 1xa1 h ILE 25 Ca -0.01 -1.06 -0.09 0.00 1.00 0.00 0.00 64.86 64.70 1xa1 h ILE 25 Cb 0.18 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1xa1 h ILE 25 CO 0.01 0.36 -0.41 -0.26 0.00 0.00 0.00 178.15 177.86 1xa1 h PHE 26 N 0.67 0.08 0.00 1.37 0.04 -1.00 -3.47 116.94 114.62 1xa1 h PHE 26 Ca 0.12 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1xa1 h PHE 26 Cb 0.50 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.64 1xa1 h PHE 26 CO 0.02 0.46 0.00 0.41 -0.60 0.00 0.00 178.31 178.61 1xa1 n GLY 27 N -0.32 3.70 0.00 -1.45 0.00 -0.24 -0.99 105.19 105.89 1xa1 n GLY 27 Ca -0.02 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 5.43 0.00 -4.84 1.61 3.41 -1.26 -4.83 113.62 113.15 1xa1 n SER 28 Ca 0.00 -1.05 -0.35 0.00 -0.26 0.00 0.00 58.87 57.22 1xa1 n SER 28 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 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 -1.88 6.88 0.09 4.04 0.01 -0.17 -4.37 114.94 119.53 1xa1 s ASN 29 Ca 0.39 1.22 0.05 0.00 -0.71 0.00 0.00 52.86 53.81 1xa1 s ASN 29 Cb 0.18 -2.34 -0.04 0.00 0.41 0.00 0.00 41.25 39.46 1xa1 s ASN 29 CO 0.30 0.00 0.00 -0.44 -1.51 0.00 0.00 177.10 175.45 1xa1 s SER 30 N -1.87 5.04 0.00 -1.22 0.01 -0.25 -4.86 113.70 110.56 1xa1 s SER 30 Ca 0.44 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.53 1xa1 s SER 30 Cb -0.14 -1.21 0.00 0.00 0.21 0.00 0.00 66.02 64.88 1xa1 s SER 30 CO 0.20 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.64 1xa1 n GLY 31 N 0.60 -0.08 3.43 3.44 0.00 -1.26 -1.05 105.19 110.28 1xa1 n GLY 31 Ca -0.11 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.11 -0.01 1.61 1.04 -0.44 -4.76 113.70 107.02 1xa1 s SER 32 Ca 0.00 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1xa1 s SER 32 Cb 0.00 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.65 1xa1 s SER 32 CO 0.00 -0.98 0.02 0.12 0.98 0.00 0.00 173.24 173.38 1xa1 s PHE 33 N -3.92 0.04 -0.03 5.02 5.36 -1.05 -1.84 117.98 121.57 1xa1 s PHE 33 Ca 0.13 0.09 0.03 0.00 -0.96 0.00 0.00 56.93 56.22 1xa1 s PHE 33 Cb 0.01 -0.18 -0.00 0.00 -0.34 0.00 0.00 43.02 42.51 1xa1 s PHE 33 CO -0.01 -0.07 -0.11 0.08 -1.46 0.00 0.00 175.22 173.65 1xa1 s VAL 34 N 0.78 0.95 0.06 3.12 1.01 -0.50 -0.35 120.40 125.48 1xa1 s VAL 34 Ca -0.07 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.48 1xa1 s VAL 34 Cb -0.09 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1xa1 s VAL 34 CO -0.02 0.29 -0.10 -0.32 0.00 0.00 0.00 175.10 174.95 1xa1 s MET 35 N 0.09 0.68 -0.04 2.72 1.75 0.13 -1.19 119.30 123.43 1xa1 s MET 35 Ca -0.02 -0.90 0.00 0.00 -1.25 0.00 0.00 55.69 53.52 1xa1 s MET 35 Cb -0.09 -0.49 0.03 0.00 2.84 0.00 0.00 34.83 37.12 1xa1 s MET 35 CO 0.01 0.09 -0.02 -0.47 -0.65 0.00 0.00 175.02 173.98 1xa1 s TYR 36 N -1.60 0.54 -0.17 4.11 5.04 0.74 -0.76 117.35 125.25 1xa1 s TYR 36 Ca -0.04 -0.10 -0.16 0.00 -2.44 0.00 0.00 57.07 54.32 1xa1 s TYR 36 Cb -0.08 -0.58 -0.04 0.00 0.35 0.00 0.00 41.96 41.61 1xa1 s TYR 36 CO 0.01 -0.19 0.42 0.45 -1.34 0.00 0.00 175.55 174.90 1xa1 s SER 37 N 1.17 6.52 0.10 4.32 0.15 -0.39 -1.32 113.70 124.26 1xa1 s SER 37 Ca -0.07 0.62 -0.16 0.00 0.70 0.00 0.00 55.95 57.03 1xa1 s SER 37 Cb -0.14 -2.25 -0.05 0.00 -1.71 0.00 0.00 66.02 61.88 1xa1 s SER 37 CO -0.02 -0.04 1.53 0.24 1.20 0.00 0.00 173.24 176.16 1xa1 h MET 38 N 7.07 0.60 -0.29 5.44 0.00 -1.47 -1.47 114.93 124.80 1xa1 h MET 38 Ca -0.38 -0.20 -0.13 0.00 0.00 0.00 0.00 59.70 58.99 1xa1 h MET 38 Cb 1.17 -0.05 -0.01 0.00 0.00 0.00 0.00 31.60 32.71 1xa1 h MET 38 CO 0.74 0.74 -0.34 -0.22 0.00 0.00 0.00 176.91 177.83 1xa1 h LYS 39 N 0.39 0.63 0.00 1.72 3.64 -1.92 -2.98 116.57 118.06 1xa1 h LYS 39 Ca 0.09 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1xa1 h LYS 39 Cb 0.49 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1xa1 h LYS 39 CO 0.02 0.88 -0.62 1.63 -2.27 0.00 0.00 179.45 179.09 1xa1 n LYS 40 N -4.06 0.07 -3.85 1.90 5.02 -1.23 -4.97 118.16 111.04 1xa1 n LYS 40 Ca -0.01 0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 1xa1 n LYS 40 Cb 0.48 -1.53 0.02 0.00 -0.02 0.00 0.00 35.03 33.98 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 -1.63 -3.72 -3.76 4.39 2.03 -0.57 -4.98 116.55 108.31 1xa1 n ASP 41 Ca 0.05 -1.09 -0.15 0.00 0.52 0.00 0.00 54.79 54.11 1xa1 n ASP 41 Cb 0.36 -2.86 -0.16 0.00 -0.72 0.00 0.00 41.12 37.74 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 -6.49 -0.04 0.34 -0.67 2.20 -1.14 -4.88 119.74 109.06 1xa1 s LYS 42 Ca 0.36 0.21 -0.08 0.00 -0.36 0.00 0.00 55.97 56.10 1xa1 s LYS 42 Cb -0.15 -0.26 -0.06 0.00 -1.51 0.00 0.00 37.83 35.85 1xa1 s LYS 42 CO 0.90 -0.18 0.65 0.71 -0.36 0.00 0.00 175.35 177.07 1xa1 s TYR 43 N 1.15 3.47 -0.06 4.03 2.02 -1.26 -1.26 117.35 125.44 1xa1 s TYR 43 Ca -0.08 0.83 -0.00 0.00 -0.37 0.00 0.00 57.07 57.45 1xa1 s TYR 43 Cb -0.13 -2.26 0.03 0.00 -0.40 0.00 0.00 41.96 39.19 1xa1 s TYR 43 CO -0.03 0.06 -0.02 0.71 -1.57 0.00 0.00 175.55 174.70 1xa1 s TYR 44 N -2.19 0.71 -0.06 2.71 2.02 0.06 -0.47 117.35 120.13 1xa1 s TYR 44 Ca 0.47 -0.19 0.00 0.00 -0.37 0.00 0.00 57.07 56.98 1xa1 s TYR 44 Cb -0.11 -0.74 0.02 0.00 -0.40 0.00 0.00 41.96 40.74 1xa1 s TYR 44 CO 0.30 -0.27 -0.04 0.42 -1.57 0.00 0.00 175.55 174.39 1xa1 s ILE 45 N 1.48 0.55 -0.24 2.71 1.01 -0.60 -0.70 121.20 125.40 1xa1 s ILE 45 Ca -0.02 -0.08 -0.09 0.00 0.00 0.00 0.00 60.65 60.46 1xa1 s ILE 45 Cb -0.13 -0.60 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 1xa1 s ILE 45 CO -0.03 0.25 0.13 -0.47 0.00 0.00 0.00 174.94 174.82 1xa1 s TYR 46 N 1.27 3.23 -0.53 3.97 6.04 0.53 -0.74 117.35 131.11 1xa1 s TYR 46 Ca -0.05 0.02 -0.04 0.00 0.04 0.00 0.00 57.07 57.05 1xa1 s TYR 46 Cb -0.14 -2.25 0.00 0.00 -1.04 0.00 0.00 41.96 38.54 1xa1 s TYR 46 CO -0.02 -0.06 0.55 0.09 -1.54 0.00 0.00 175.55 174.56 1xa1 n ASN 47 N 4.45 -6.75 -0.26 4.32 3.02 -1.26 -2.53 115.26 116.25 1xa1 n ASN 47 Ca -0.15 0.08 -0.07 0.00 -0.03 0.00 0.00 54.58 54.41 1xa1 n ASN 47 Cb 0.52 -4.52 0.05 0.00 -0.61 0.00 0.00 39.78 35.22 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 0.71 1.11 -0.28 3.52 4.22 -1.95 -0.17 114.58 121.74 1xa1 h GLU 48 Ca 0.00 -0.22 -0.01 0.00 0.08 0.00 0.00 59.36 59.22 1xa1 h GLU 48 Cb 0.95 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1xa1 h GLU 48 CO 0.22 0.92 0.16 -0.22 -2.18 0.00 0.00 179.01 177.91 1xa1 h LYS 49 N 1.06 0.40 -0.35 1.92 3.64 -2.00 -2.20 116.57 119.03 1xa1 h LYS 49 Ca 0.24 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1xa1 h LYS 49 Cb 0.25 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1xa1 h LYS 49 CO -0.02 0.35 0.05 1.49 -2.27 0.00 0.00 179.45 179.06 1xa1 h GLU 50 N 0.34 0.52 0.00 1.90 4.57 -1.87 -2.33 114.58 117.73 1xa1 h GLU 50 Ca 0.10 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1xa1 h GLU 50 Cb 0.07 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1xa1 h GLU 50 CO -0.02 0.51 -0.01 0.66 -1.18 0.00 0.00 179.01 178.97 1xa1 h SER 51 N 0.51 0.00 0.16 1.04 4.64 -0.39 -1.95 113.55 117.56 1xa1 h SER 51 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 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 0.01 -0.39 0.54 -0.87 0.00 0.00 176.83 176.13 1xa1 n ARG 52 N -3.17 0.85 -2.43 4.77 1.74 -0.88 -1.20 116.66 116.35 1xa1 n ARG 52 Ca -0.02 -0.59 -0.41 0.00 -0.77 0.00 0.00 57.85 56.05 1xa1 n ARG 52 Cb 0.15 -1.49 -0.03 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 -2.56 4.50 -0.07 5.56 1.02 -0.73 -0.70 119.74 126.76 1xa1 s LYS 53 Ca 0.21 1.80 -0.15 0.00 0.02 0.00 0.00 55.97 57.85 1xa1 s LYS 53 Cb 0.19 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 34.17 1xa1 s LYS 53 CO 0.57 -0.09 0.39 1.03 -0.92 0.00 0.00 175.35 176.33 1xa1 s ARG 54 N 0.08 4.07 0.07 1.68 0.52 -1.26 -4.02 118.95 120.08 1xa1 s ARG 54 Ca 0.53 0.33 0.00 0.00 -0.52 0.00 0.00 55.73 56.07 1xa1 s ARG 54 Cb -0.31 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 1xa1 s ARG 54 CO 0.34 0.47 -0.05 0.71 0.02 0.00 0.00 175.30 176.79 1xa1 s TYR 55 N -0.33 0.68 0.30 -0.53 2.02 -0.29 -4.77 117.35 114.42 1xa1 s TYR 55 Ca 0.22 -0.96 -0.30 0.00 -0.37 0.00 0.00 57.07 55.66 1xa1 s TYR 55 Cb -0.15 -0.44 -0.11 0.00 -0.40 0.00 0.00 41.96 40.86 1xa1 s TYR 55 CO 0.10 -0.26 1.53 0.45 -1.57 0.00 0.00 175.55 175.80 1xa1 s SER 56 N -2.88 6.45 0.37 2.29 0.15 -1.26 -0.82 113.70 118.00 1xa1 s SER 56 Ca 0.08 2.89 0.27 0.00 0.70 0.00 0.00 55.95 59.89 1xa1 s SER 56 Cb 0.06 -2.64 0.90 0.00 -1.71 0.00 0.00 66.02 62.63 1xa1 s SER 56 CO -0.07 -0.84 1.78 1.55 1.20 0.00 0.00 173.24 176.86 1xa1 h PRO 57 N 4.55 0.00 0.00 5.44 0.13 -1.73 -3.47 132.00 136.93 1xa1 h PRO 57 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xa1 h PRO 57 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xa1 h PRO 57 CO 0.76 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.62 1xa1 n ASN 58 N -2.69 0.00 0.00 1.44 4.13 -0.39 -2.02 115.26 115.74 1xa1 n ASN 58 Ca 0.03 0.00 0.10 0.00 1.68 0.00 0.00 54.58 56.39 1xa1 n ASN 58 Cb 0.37 0.00 0.50 0.00 -1.54 0.00 0.00 39.78 39.11 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 -0.06 0.00 0.30 6.41 7.64 -1.26 -1.77 113.62 124.87 1xa1 n SER 59 Ca 0.00 0.05 0.16 0.00 1.01 0.00 0.00 58.87 60.09 1xa1 n SER 59 Cb 0.00 -0.31 0.92 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.47 0.00 0.44 1.35 -1.41 -1.62 112.91 112.14 1xa1 h THR 60 Ca 0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1xa1 h THR 60 Cb 0.20 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1xa1 h THR 60 CO 0.00 0.02 0.00 0.22 -0.25 0.00 0.00 175.52 175.51 1xa1 h TYR 61 N 0.00 0.00 -0.23 4.73 3.20 -1.50 -2.34 116.97 120.83 1xa1 h TYR 61 Ca -0.00 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 1xa1 h TYR 61 Cb 0.06 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 1xa1 h TYR 61 CO 0.00 0.00 0.22 0.87 -1.64 0.00 0.00 178.16 177.61 1xa1 h LYS 62 N 0.00 0.00 -0.41 1.82 1.57 -1.50 0.28 116.57 118.33 1xa1 h LYS 62 Ca 0.00 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1xa1 h LYS 62 Cb 0.36 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.61 1xa1 h LYS 62 CO 0.00 0.00 0.09 0.82 -0.57 0.00 0.00 179.45 179.79 1xa1 h ILE 63 N 0.00 0.79 -0.02 1.86 2.04 -1.62 -0.54 117.51 120.03 1xa1 h ILE 63 Ca 0.11 -0.08 -0.20 0.00 1.00 0.00 0.00 64.86 65.70 1xa1 h ILE 63 Cb 0.55 0.55 0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1xa1 h ILE 63 CO -0.00 0.04 -0.76 1.88 0.00 0.00 0.00 178.15 179.31 1xa1 h TYR 64 N 0.22 0.80 -0.79 1.37 0.05 -1.20 -1.82 116.97 115.61 1xa1 h TYR 64 Ca 0.20 -0.42 0.06 0.00 0.05 0.00 0.00 58.73 58.62 1xa1 h TYR 64 Cb 0.24 -0.10 -0.06 0.00 1.01 0.00 0.00 36.73 37.82 1xa1 h TYR 64 CO -0.20 1.25 0.47 -0.07 -1.05 0.00 0.00 178.16 178.56 1xa1 h LEU 65 N 0.13 0.72 -0.21 3.88 3.38 -1.16 -0.15 115.31 121.90 1xa1 h LEU 65 Ca -0.09 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1xa1 h LEU 65 Cb 1.44 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1xa1 h LEU 65 CO 0.15 0.46 0.13 0.00 0.09 0.00 0.00 178.44 179.27 1xa1 h ALA 66 N 1.39 0.27 -0.57 1.53 0.00 -1.00 0.41 119.26 121.27 1xa1 h ALA 66 Ca 0.35 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.28 1xa1 h ALA 66 Cb 0.19 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1xa1 h ALA 66 CO -0.18 -0.27 0.34 1.98 0.00 0.00 0.00 179.25 181.12 1xa1 h MET 67 N 0.27 0.65 -0.45 0.00 1.85 -0.83 -0.78 114.93 115.63 1xa1 h MET 67 Ca 0.08 -0.04 -0.10 0.00 -0.61 0.00 0.00 59.70 59.03 1xa1 h MET 67 Cb -0.02 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 31.85 1xa1 h MET 67 CO -0.03 0.43 -0.12 0.74 -0.40 0.00 0.00 176.91 177.53 1xa1 h PHE 68 N 0.66 0.99 -0.77 1.39 0.04 -0.86 0.80 116.94 119.20 1xa1 h PHE 68 Ca 0.23 -0.22 0.11 0.00 2.80 0.00 0.00 57.97 60.89 1xa1 h PHE 68 Cb 0.04 -0.24 -0.08 0.00 2.20 0.00 0.00 35.95 37.88 1xa1 h PHE 68 CO -0.06 0.98 0.39 0.78 -0.60 0.00 0.00 178.31 179.80 1xa1 h GLY 69 N 0.71 1.18 0.75 -1.45 0.00 -0.66 0.33 103.07 103.92 1xa1 h GLY 69 Ca 0.11 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 1xa1 h GLY 69 CO 0.05 0.05 -0.17 1.41 0.00 0.00 0.00 176.54 177.88 1xa1 h LEU 70 N 0.64 0.40 -0.98 3.11 3.38 -0.74 0.43 115.31 121.55 1xa1 h LEU 70 Ca 0.38 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1xa1 h LEU 70 Cb 0.43 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1xa1 h LEU 70 CO -0.29 0.81 0.42 -0.78 0.09 0.00 0.00 178.44 178.69 1xa1 h ASP 71 N -0.01 1.03 -0.04 -0.43 3.58 -0.58 -1.79 116.42 118.18 1xa1 h ASP 71 Ca 0.02 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.37 1xa1 h ASP 71 Cb 0.71 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.50 1xa1 h ASP 71 CO 0.04 0.85 0.00 0.54 -2.88 0.00 0.00 179.24 177.79 1xa1 n ARG 72 N -4.33 1.42 -1.83 0.28 1.74 0.08 -4.94 116.66 109.08 1xa1 n ARG 72 Ca 0.08 -0.61 -0.17 0.00 -0.77 0.00 0.00 57.85 56.38 1xa1 n ARG 72 Cb 0.12 -1.44 -0.05 0.00 -1.02 0.00 0.00 32.46 30.07 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 -0.23 -0.33 -0.18 -1.55 8.25 -0.67 -4.88 115.22 115.64 1xa1 n HIS 73 Ca 0.19 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.59 1xa1 n HIS 73 Cb 0.25 -3.15 0.10 0.00 1.12 0.00 0.00 29.99 28.31 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 1.25 -3.36 1.59 2.04 -1.17 -3.44 117.51 114.42 1xa1 h ILE 74 Ca -0.37 -1.04 -0.34 0.00 1.00 0.00 0.00 64.86 64.11 1xa1 h ILE 74 Cb 1.19 0.76 -0.15 0.00 -0.74 0.00 0.00 36.82 37.89 1xa1 h ILE 74 CO 0.50 0.38 -0.72 0.27 0.00 0.00 0.00 178.15 178.58 1xa1 s ILE 75 N -5.08 1.21 0.28 -0.67 -4.36 -1.03 -5.01 121.20 106.54 1xa1 s ILE 75 Ca -0.11 -2.06 -0.04 0.00 -0.26 0.00 0.00 60.65 58.19 1xa1 s ILE 75 Cb 0.14 -1.84 0.02 0.00 1.25 0.00 0.00 42.46 42.03 1xa1 s ILE 75 CO 0.83 -0.73 0.43 -0.46 0.24 0.00 0.00 174.94 175.26 1xa1 n ASN 76 N -0.18 -1.22 0.15 4.36 6.94 -0.81 -4.27 115.26 120.23 1xa1 n ASN 76 Ca -0.10 -2.41 0.01 0.00 -0.02 0.00 0.00 54.58 52.05 1xa1 n ASN 76 Cb 0.60 2.19 0.32 0.00 -2.36 0.00 0.00 39.78 40.53 1xa1 n ASN 76 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 1xa1 h ASP 77 N 1.53 0.11 0.48 0.53 -0.00 -1.98 -3.02 116.42 114.06 1xa1 h ASP 77 Ca -0.22 -0.04 -0.25 0.00 -0.00 0.00 0.00 57.03 56.52 1xa1 h ASP 77 Cb 0.93 -0.03 0.00 0.00 -0.00 0.00 0.00 39.33 40.23 1xa1 h ASP 77 CO 0.30 0.46 -1.10 -0.08 -0.00 0.00 0.00 179.24 178.81 1xa1 h GLU 78 N 0.09 0.35 -2.26 4.15 4.57 -2.04 -3.45 114.58 115.99 1xa1 h GLU 78 Ca 0.01 -0.47 -0.19 0.00 -1.18 0.00 0.00 59.36 57.53 1xa1 h GLU 78 Cb 0.68 0.16 -0.31 0.00 -0.16 0.00 0.00 28.75 29.11 1xa1 h GLU 78 CO 0.05 1.17 -0.50 1.21 -1.18 0.00 0.00 179.01 179.76 1xa1 s ASN 79 N -7.13 0.43 -0.10 1.04 2.47 -1.14 -4.97 114.94 105.53 1xa1 s ASN 79 Ca -0.05 0.30 0.14 0.00 0.42 0.00 0.00 52.86 53.66 1xa1 s ASN 79 Cb 0.08 0.93 0.24 0.00 -1.45 0.00 0.00 41.25 41.05 1xa1 s ASN 79 CO 0.88 -0.29 1.12 -1.54 -3.72 0.00 0.00 177.10 173.55 1xa1 n SER 80 N 5.36 1.66 -4.77 -4.21 3.41 -1.22 -1.93 113.62 111.92 1xa1 n SER 80 Ca -0.05 -2.86 -0.39 0.00 -0.26 0.00 0.00 58.87 55.32 1xa1 n SER 80 Cb 0.50 -0.38 -0.06 0.00 -0.26 0.00 0.00 64.21 64.01 1xa1 n SER 80 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xa1 s ARG 81 N -2.10 4.66 -0.04 4.33 0.52 -1.26 -3.42 118.95 121.65 1xa1 s ARG 81 Ca 0.25 1.47 0.03 0.00 -0.52 0.00 0.00 55.73 56.95 1xa1 s ARG 81 Cb 0.22 -3.02 0.01 0.00 0.52 0.00 0.00 34.95 32.68 1xa1 s ARG 81 CO 0.01 0.33 -0.10 -1.64 0.02 0.00 0.00 175.30 173.91 1xa1 s MET 82 N -1.67 1.21 0.42 3.54 -1.94 -0.17 -4.99 119.30 115.70 1xa1 s MET 82 Ca 0.46 -0.35 -0.24 0.00 -1.71 0.00 0.00 55.69 53.86 1xa1 s MET 82 Cb -0.24 -1.09 -0.08 0.00 2.01 0.00 0.00 34.83 35.44 1xa1 s MET 82 CO 0.30 0.09 1.10 -1.54 -0.01 0.00 0.00 175.02 174.96 1xa1 s SER 83 N 0.34 6.53 0.15 3.03 1.04 -1.26 -2.00 113.70 121.54 1xa1 s SER 83 Ca -0.06 2.16 -0.30 0.00 0.48 0.00 0.00 55.95 58.23 1xa1 s SER 83 Cb -0.11 -2.59 -0.07 0.00 0.10 0.00 0.00 66.02 63.34 1xa1 s SER 83 CO 0.01 -0.65 1.17 0.86 0.98 0.00 0.00 173.24 175.61 1xa1 s TRP 84 N -1.59 3.47 -1.72 5.02 -0.00 -1.26 -4.90 118.94 117.96 1xa1 s TRP 84 Ca 0.60 1.43 0.11 0.00 -0.00 0.00 0.00 56.10 58.24 1xa1 s TRP 84 Cb -0.25 -3.39 0.37 0.00 -0.00 0.00 0.00 33.47 30.20 1xa1 s TRP 84 CO 0.31 -1.08 1.27 0.27 -0.00 0.00 0.00 176.95 177.72 1xa1 n ASN 85 N 2.84 2.42 -0.04 5.86 6.94 -1.26 -4.91 115.26 127.12 1xa1 n ASN 85 Ca 0.05 -2.10 -0.00 0.00 -0.02 0.00 0.00 54.58 52.51 1xa1 n ASN 85 Cb 0.45 -0.33 -0.00 0.00 -2.36 0.00 0.00 39.78 37.54 1xa1 n ASN 85 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 1xa1 n HIS 86 N 0.60 0.00 -2.28 -2.53 -0.00 -1.26 -5.03 115.22 104.72 1xa1 n HIS 86 Ca 0.14 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.89 1xa1 n HIS 86 Cb 0.42 -0.35 -0.03 0.00 -0.12 0.00 0.00 29.99 29.92 1xa1 n HIS 86 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 1xa1 s LYS 87 N -0.61 4.32 -0.01 1.57 2.20 -1.26 -5.00 119.74 120.95 1xa1 s LYS 87 Ca 0.00 1.91 -0.30 0.00 -0.36 0.00 0.00 55.97 57.22 1xa1 s LYS 87 Cb 0.00 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 1xa1 s LYS 87 CO 0.00 -0.50 1.02 -1.58 -0.36 0.00 0.00 175.35 173.94 1xa1 s HIS 88 N 2.04 3.59 0.28 4.03 5.65 -1.26 -4.83 115.29 124.79 1xa1 s HIS 88 Ca 0.62 1.61 0.10 0.00 0.25 0.00 0.00 55.06 57.64 1xa1 s HIS 88 Cb -0.31 -3.18 -0.05 0.00 -1.18 0.00 0.00 32.58 27.86 1xa1 s HIS 88 CO 0.26 -0.27 -0.06 0.71 -0.65 0.00 0.00 174.74 174.74 1xa1 s TYR 89 N 1.20 2.57 -1.19 3.88 1.51 -1.26 -5.05 117.35 119.00 1xa1 s TYR 89 Ca 0.53 -0.27 0.21 0.00 -1.01 0.00 0.00 57.07 56.52 1xa1 s TYR 89 Cb -0.22 -1.16 0.96 0.00 -0.11 0.00 0.00 41.96 41.43 1xa1 s TYR 89 CO 0.27 0.64 1.67 -0.35 -1.11 0.00 0.00 175.55 176.66 1xa1 n PRO 90 N -0.82 0.14 -4.50 -1.71 -0.04 -1.26 -4.57 135.00 122.24 1xa1 n PRO 90 Ca -0.06 0.12 -0.33 0.00 -0.04 0.00 0.00 63.50 63.19 1xa1 n PRO 90 Cb 0.60 -1.50 -0.15 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 -2.81 2.80 0.17 0.54 2.99 -1.26 -5.01 117.98 115.40 1xa1 s PHE 91 Ca 0.14 -1.01 0.35 0.00 0.00 0.00 0.00 56.93 56.41 1xa1 s PHE 91 Cb 0.14 -1.90 1.64 0.00 0.00 0.00 0.00 43.02 42.90 1xa1 s PHE 91 CO 0.35 -0.46 2.04 -0.44 -0.00 0.00 0.00 175.22 176.71 1xa1 h ASP 92 N 7.32 0.00 0.07 1.36 3.45 -1.97 -1.27 116.42 125.38 1xa1 h ASP 92 Ca -0.33 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.13 1xa1 h ASP 92 Cb 1.19 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.96 1xa1 h ASP 92 CO 0.57 0.00 -0.02 0.00 -1.57 0.00 0.00 179.24 178.22 1xa1 h ALA 93 N 2.04 1.47 0.00 3.45 0.00 -1.95 -2.33 119.26 121.94 1xa1 h ALA 93 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xa1 h ALA 93 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1xa1 h ALA 93 CO 0.00 0.03 -0.72 -1.49 0.00 0.00 0.00 179.25 177.07 1xa1 h TRP 94 N 0.00 0.00 -1.25 0.00 4.06 -1.61 -3.41 115.95 113.74 1xa1 h TRP 94 Ca -0.00 0.00 -0.70 0.00 2.06 0.00 0.00 58.89 60.25 1xa1 h TRP 94 Cb 0.06 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 28.07 1xa1 h TRP 94 CO 0.00 0.00 1.83 0.09 -3.56 0.00 0.00 178.44 176.80 1xa1 n ASN 95 N -2.30 7.65 -3.61 -3.49 3.02 -0.88 -4.86 115.26 110.78 1xa1 n ASN 95 Ca 0.02 -3.22 -0.01 0.00 -0.03 0.00 0.00 54.58 51.35 1xa1 n ASN 95 Cb 0.47 -1.31 -0.01 0.00 -0.61 0.00 0.00 39.78 38.32 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 -1.62 0.38 0.70 3.52 -2.85 -1.26 -5.04 119.74 113.57 1xa1 s LYS 96 Ca 0.54 -0.19 -0.16 0.00 -1.00 0.00 0.00 55.97 55.15 1xa1 s LYS 96 Cb 0.23 0.14 0.02 0.00 -2.06 0.00 0.00 37.83 36.17 1xa1 s LYS 96 CO -0.13 -0.17 1.25 -1.83 0.10 0.00 0.00 175.35 174.57 1xa1 s GLU 97 N -2.44 2.28 0.12 1.78 -1.05 -1.26 -4.40 118.70 113.73 1xa1 s GLU 97 Ca 0.12 1.92 0.05 0.00 -0.15 0.00 0.00 54.97 56.91 1xa1 s GLU 97 Cb 0.03 -1.83 -0.04 0.00 -0.44 0.00 0.00 34.13 31.85 1xa1 s GLU 97 CO -0.04 -1.77 -0.11 -0.65 0.95 0.00 0.00 175.26 173.64 1xa1 s GLN 98 N -3.65 0.96 0.47 -4.83 -1.52 -0.85 -4.95 119.66 105.30 1xa1 s GLN 98 Ca 0.79 -1.26 0.01 0.00 -1.95 0.00 0.00 55.36 52.94 1xa1 s GLN 98 Cb -0.33 -0.67 -0.00 0.00 -0.22 0.00 0.00 33.01 31.78 1xa1 s GLN 98 CO 0.43 0.11 0.03 -0.40 -0.25 0.00 0.00 175.29 175.21 1xa1 n ASP 99 N 0.35 2.94 -0.30 5.90 5.68 -1.26 -1.00 116.55 128.85 1xa1 n ASP 99 Ca -0.14 -3.15 0.02 0.00 -0.50 0.00 0.00 54.79 51.01 1xa1 n ASP 99 Cb 0.58 0.48 0.15 0.00 -1.14 0.00 0.00 41.12 41.19 1xa1 n ASP 99 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1xa1 h LEU 100 N 0.00 0.77 -0.27 -2.12 5.85 -1.97 -0.39 115.31 117.18 1xa1 h LEU 100 Ca -0.39 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 1xa1 h LEU 100 Cb 1.23 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1xa1 h LEU 100 CO 0.64 0.47 0.07 0.78 -0.34 0.00 0.00 178.44 180.07 1xa1 h ASN 101 N 0.89 0.40 0.38 1.25 2.35 -1.93 -0.38 115.58 118.54 1xa1 h ASN 101 Ca 0.38 -0.22 -0.18 0.00 -0.55 0.00 0.00 56.30 55.73 1xa1 h ASN 101 Cb 0.25 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1xa1 h ASN 101 CO -0.20 0.51 -0.75 0.71 -1.65 0.00 0.00 177.43 176.06 1xa1 h THR 102 N 0.27 1.41 -0.50 2.81 1.35 -1.86 -1.27 112.91 115.12 1xa1 h THR 102 Ca 0.09 -2.25 -0.04 0.00 -0.55 0.00 0.00 66.41 63.66 1xa1 h THR 102 Cb 0.26 2.20 -0.02 0.00 -1.73 0.00 0.00 68.15 68.86 1xa1 h THR 102 CO -0.00 0.67 0.14 0.00 -0.25 0.00 0.00 175.52 176.08 1xa1 h ALA 103 N 1.00 0.65 -0.05 6.62 0.00 -0.97 -1.26 119.26 125.25 1xa1 h ALA 103 Ca -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1xa1 h ALA 103 Cb 1.32 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1xa1 h ALA 103 CO 0.12 0.32 -0.02 1.98 0.00 0.00 0.00 179.25 181.65 1xa1 h MET 104 N 0.67 0.11 -0.67 0.00 -1.53 -0.96 0.16 114.93 112.71 1xa1 h MET 104 Ca 0.16 -0.05 0.08 0.00 -3.44 0.00 0.00 59.70 56.45 1xa1 h MET 104 Cb 0.29 -0.00 -0.06 0.00 -0.55 0.00 0.00 31.60 31.27 1xa1 h MET 104 CO -0.00 0.48 0.34 0.37 0.14 0.00 0.00 176.91 178.24 1xa1 h GLN 105 N -0.26 0.58 -0.53 0.39 4.15 -1.21 -2.51 115.11 115.72 1xa1 h GLN 105 Ca 0.01 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1xa1 h GLN 105 Cb 0.44 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1xa1 h GLN 105 CO 0.01 0.38 0.00 0.09 -1.93 0.00 0.00 178.83 177.38 1xa1 n ASN 106 N -4.86 3.59 -3.75 -0.69 3.02 -0.48 -4.97 115.26 107.13 1xa1 n ASN 106 Ca 0.10 -1.98 -0.23 0.00 -0.03 0.00 0.00 54.58 52.44 1xa1 n ASN 106 Cb 0.23 -0.35 0.02 0.00 -0.61 0.00 0.00 39.78 39.08 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 1.44 -1.51 -4.55 6.41 2.88 0.38 -4.84 113.62 113.83 1xa1 n SER 107 Ca 0.20 -0.88 -0.41 0.00 -1.33 0.00 0.00 58.87 56.45 1xa1 n SER 107 Cb 0.59 -3.78 -0.03 0.00 -0.75 0.00 0.00 64.21 60.24 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 -3.71 3.76 0.26 2.46 1.01 -0.08 -4.88 120.40 119.22 1xa1 s VAL 108 Ca 0.06 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 1xa1 s VAL 108 Cb -0.02 -4.94 0.25 0.00 0.00 0.00 0.00 36.38 31.67 1xa1 s VAL 108 CO 0.83 -1.87 1.78 0.78 0.00 0.00 0.00 175.10 176.63 1xa1 h ASN 109 N 9.98 0.63 0.02 3.32 2.35 -1.89 -2.16 115.58 127.82 1xa1 h ASN 109 Ca -0.20 0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 1xa1 h ASN 109 Cb 1.04 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.37 1xa1 h ASN 109 CO 1.30 0.29 -0.18 4.11 -1.65 0.00 0.00 177.43 181.30 1xa1 h TRP 110 N 0.71 0.32 0.09 1.19 5.08 -1.98 0.13 115.95 121.49 1xa1 h TRP 110 Ca 0.46 -0.05 -0.00 0.00 1.08 0.00 0.00 58.89 60.38 1xa1 h TRP 110 Cb 0.60 -0.09 0.00 0.00 -3.00 0.00 0.00 29.16 26.67 1xa1 h TRP 110 CO -0.07 0.47 -0.04 -0.92 -1.28 0.00 0.00 178.44 176.60 1xa1 h TYR 111 N 0.28 -0.11 -0.00 0.12 5.03 -1.81 -1.60 116.97 118.88 1xa1 h TYR 111 Ca 0.05 -0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.23 1xa1 h TYR 111 Cb 0.48 0.04 -0.02 0.00 1.55 0.00 0.00 36.73 38.78 1xa1 h TYR 111 CO 0.01 0.00 -0.59 0.74 -1.32 0.00 0.00 178.16 177.00 1xa1 h PHE 112 N -0.20 0.01 -0.72 -3.82 0.04 -1.34 -2.44 116.94 108.46 1xa1 h PHE 112 Ca -0.01 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 1xa1 h PHE 112 Cb 0.17 -0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 1xa1 h PHE 112 CO -0.05 0.59 0.25 0.93 -0.60 0.00 0.00 178.31 179.44 1xa1 h GLU 113 N 0.00 1.09 -0.41 1.51 5.08 -0.68 0.14 114.58 121.31 1xa1 h GLU 113 Ca -0.01 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.05 1xa1 h GLU 113 Cb 1.04 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1xa1 h GLU 113 CO 0.08 0.90 -0.12 -0.09 -1.00 0.00 0.00 179.01 178.78 1xa1 h ARG 114 N 1.05 0.81 0.12 2.33 2.43 -1.05 0.65 114.38 120.72 1xa1 h ARG 114 Ca 0.24 -0.32 0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1xa1 h ARG 114 Cb 0.25 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1xa1 h ARG 114 CO -0.01 0.95 -0.19 0.82 -1.51 0.00 0.00 179.97 180.02 1xa1 h ILE 115 N 0.63 0.57 -0.67 1.20 2.04 -1.26 -3.01 117.51 117.01 1xa1 h ILE 115 Ca 0.10 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.97 1xa1 h ILE 115 Cb 0.66 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1xa1 h ILE 115 CO 0.05 0.00 0.45 -1.28 0.00 0.00 0.00 178.15 177.36 1xa1 h SER 116 N -0.37 0.77 0.61 1.72 0.87 -0.60 -0.82 113.55 115.73 1xa1 h SER 116 Ca 0.02 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1xa1 h SER 116 Cb 0.38 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1xa1 h SER 116 CO -0.10 0.56 0.00 0.44 -0.53 0.00 0.00 176.83 177.20 1xa1 h ASP 117 N 0.91 0.00 0.15 6.23 3.32 -0.75 -1.10 116.42 125.18 1xa1 h ASP 117 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1xa1 h ASP 117 Cb -0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1xa1 h ASP 117 CO -0.05 0.00 -0.29 0.00 -1.72 0.00 0.00 179.24 177.18 1xa1 n GLN 118 N -2.89 1.03 -3.40 3.56 1.13 -0.32 -4.91 117.38 111.58 1xa1 n GLN 118 Ca -0.00 -0.69 -0.39 0.00 -1.94 0.00 0.00 57.00 53.97 1xa1 n GLN 118 Cb 0.21 -1.49 -0.09 0.00 0.11 0.00 0.00 30.24 28.98 1xa1 n GLN 118 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1xa1 s ILE 119 N -2.45 5.18 0.38 5.09 1.01 -0.42 -5.05 121.20 124.94 1xa1 s ILE 119 Ca 0.24 0.52 -0.28 0.00 0.00 0.00 0.00 60.65 61.13 1xa1 s ILE 119 Cb 0.19 -3.70 -0.11 0.00 0.01 0.00 0.00 42.46 38.86 1xa1 s ILE 119 CO 0.51 0.15 1.45 -2.84 0.00 0.00 0.00 174.94 174.21 1xa1 s PRO 120 N 2.06 4.10 0.37 2.79 0.02 -1.26 -4.90 135.00 138.17 1xa1 s PRO 120 Ca 0.14 2.49 0.06 0.00 0.02 0.00 0.00 61.00 63.72 1xa1 s PRO 120 Cb -0.16 -2.95 0.76 0.00 0.02 0.00 0.00 34.50 32.17 1xa1 s PRO 120 CO 0.10 -0.51 1.97 -0.22 -0.33 0.00 0.00 177.00 178.01 1xa1 h LYS 121 N 2.98 0.71 -0.61 5.54 3.64 -1.96 -2.27 116.57 124.60 1xa1 h LYS 121 Ca -0.51 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 58.79 1xa1 h LYS 121 Cb 1.24 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 1xa1 h LYS 121 CO 0.64 0.47 0.21 -2.95 -2.27 0.00 0.00 179.45 175.55 1xa1 h ASN 122 N 0.73 0.83 -0.30 4.20 7.08 -1.99 -1.44 115.58 124.69 1xa1 h ASN 122 Ca 0.29 -0.13 -0.04 0.00 -3.08 0.00 0.00 56.30 53.34 1xa1 h ASN 122 Cb 0.22 -0.22 -0.01 0.00 -2.08 0.00 0.00 38.32 36.23 1xa1 h ASN 122 CO -0.09 0.77 0.02 0.22 -2.08 0.00 0.00 177.43 176.27 1xa1 h TYR 123 N 0.88 0.56 -0.22 4.14 5.03 -1.79 -1.95 116.97 123.62 1xa1 h TYR 123 Ca 0.20 -0.09 -0.01 0.00 2.58 0.00 0.00 58.73 61.42 1xa1 h TYR 123 Cb 0.23 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.35 1xa1 h TYR 123 CO 0.02 0.64 0.12 1.15 -1.32 0.00 0.00 178.16 178.76 1xa1 h THR 124 N 0.32 1.12 -0.75 1.81 2.02 -1.22 -1.67 112.91 114.53 1xa1 h THR 124 Ca 0.09 -0.32 0.09 0.00 0.77 0.00 0.00 66.41 67.04 1xa1 h THR 124 Cb 0.40 0.93 -0.07 0.00 -1.74 0.00 0.00 68.15 67.68 1xa1 h THR 124 CO 0.01 0.11 0.40 0.00 0.37 0.00 0.00 175.52 176.42 1xa1 h ALA 125 N 1.00 1.04 -0.56 6.16 0.00 -1.23 0.52 119.26 126.19 1xa1 h ALA 125 Ca 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1xa1 h ALA 125 Cb 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1xa1 h ALA 125 CO -0.01 0.03 0.29 1.15 0.00 0.00 0.00 179.25 180.70 1xa1 h THR 126 N 0.69 1.20 -0.32 0.00 2.02 -1.10 -1.66 112.91 113.75 1xa1 h THR 126 Ca 0.36 -0.54 -0.08 0.00 0.77 0.00 0.00 66.41 66.92 1xa1 h THR 126 Cb 0.33 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1xa1 h THR 126 CO -0.24 0.22 -0.12 1.56 0.37 0.00 0.00 175.52 177.31 1xa1 h GLN 127 N 0.76 0.64 -0.20 6.66 1.08 -0.48 -1.10 115.11 122.48 1xa1 h GLN 127 Ca 0.20 -0.26 -0.09 0.00 -1.45 0.00 0.00 58.65 57.04 1xa1 h GLN 127 Cb 0.09 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 1xa1 h GLN 127 CO -0.03 0.84 -0.26 -0.07 -0.95 0.00 0.00 178.83 178.36 1xa1 h LEU 128 N 0.41 0.37 0.09 1.46 3.38 -0.85 0.17 115.31 120.34 1xa1 h LEU 128 Ca 0.08 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xa1 h LEU 128 Cb 0.63 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1xa1 h LEU 128 CO 0.04 0.63 -0.04 0.50 0.09 0.00 0.00 178.44 179.66 1xa1 h LYS 129 N 0.33 -0.12 -0.88 1.13 3.64 -1.09 -1.12 116.57 118.46 1xa1 h LYS 129 Ca 0.05 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1xa1 h LYS 129 Cb 0.64 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.44 1xa1 h LYS 129 CO 0.05 0.10 0.46 1.96 -2.27 0.00 0.00 179.45 179.74 1xa1 h GLN 130 N -0.32 1.25 0.00 1.90 4.20 -0.82 -2.45 115.11 118.87 1xa1 h GLN 130 Ca -0.01 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1xa1 h GLN 130 Cb 0.27 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1xa1 h GLN 130 CO 0.02 0.93 0.00 -0.07 -0.67 0.00 0.00 178.83 179.04 1xa1 h LEU 131 N 1.25 0.00 -1.24 1.46 3.38 -0.65 -3.47 115.31 116.04 1xa1 h LEU 131 Ca 0.31 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.85 1xa1 h LEU 131 Cb 0.07 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.87 1xa1 h LEU 131 CO -0.04 0.00 -0.76 0.59 0.09 0.00 0.00 178.44 178.31 1xa1 n ASN 132 N -2.32 -3.87 -4.56 -0.43 3.02 -0.55 -4.78 115.26 101.76 1xa1 n ASN 132 Ca 0.05 -0.72 -0.35 0.00 -0.03 0.00 0.00 54.58 53.52 1xa1 n ASN 132 Cb 0.39 -4.31 -0.04 0.00 -0.61 0.00 0.00 39.78 35.21 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 -3.41 2.23 0.00 3.10 5.04 -0.54 -4.91 117.35 118.86 1xa1 s TYR 133 Ca 0.40 -0.22 0.00 0.00 -2.44 0.00 0.00 57.07 54.81 1xa1 s TYR 133 Cb -0.19 -4.43 0.00 0.00 0.35 0.00 0.00 41.96 37.68 1xa1 s TYR 133 CO 0.79 -1.88 0.00 0.41 -1.34 0.00 0.00 175.55 173.54 1xa1 n GLY 134 N 6.81 3.08 0.12 8.97 0.00 -1.26 -1.89 105.19 121.03 1xa1 n GLY 134 Ca 0.35 -0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.44 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 2.97 0.45 -2.27 1.61 0.23 -0.43 -4.91 115.26 112.90 1xa1 n ASN 135 Ca 0.00 -0.69 -0.12 0.00 -0.53 0.00 0.00 54.58 53.24 1xa1 n ASN 135 Cb 0.00 -0.07 -0.01 0.00 -2.08 0.00 0.00 39.78 37.61 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 -0.88 -2.10 -3.26 -3.83 5.02 -0.79 -4.89 118.16 107.43 1xa1 n LYS 136 Ca 0.16 0.59 -0.46 0.00 -2.02 0.00 0.00 58.31 56.59 1xa1 n LYS 136 Cb 0.25 -5.13 -0.04 0.00 -0.02 0.00 0.00 35.03 30.09 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 -2.02 6.26 0.19 4.39 3.84 -1.26 -4.89 114.94 121.44 1xa1 s ASN 137 Ca 0.00 -1.81 0.26 0.00 0.21 0.00 0.00 52.86 51.52 1xa1 s ASN 137 Cb 0.00 -2.24 0.86 0.00 -0.55 0.00 0.00 41.25 39.33 1xa1 s ASN 137 CO 0.00 -0.89 1.79 0.18 -2.79 0.00 0.00 177.10 175.39 1xa1 n LEU 138 N 5.39 0.72 0.00 3.21 4.77 -1.26 -1.96 117.00 127.87 1xa1 n LEU 138 Ca -0.09 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1xa1 n LEU 138 Cb 0.41 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1xa1 n LEU 138 CO 0.53 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1xa1 n GLY 139 N 1.27 3.09 0.07 -0.72 0.00 -1.26 -0.24 105.19 107.40 1xa1 n GLY 139 Ca 0.06 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 2.95 0.34 -3.21 1.61 7.64 -1.26 -4.91 113.62 116.78 1xa1 n SER 140 Ca 0.00 0.59 -0.18 0.00 1.01 0.00 0.00 58.87 60.28 1xa1 n SER 140 Cb 0.00 -0.66 0.08 0.00 -1.01 0.00 0.00 64.21 62.62 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 -1.88 -2.26 0.00 1.43 4.19 0.66 -4.98 117.16 114.33 1xa1 n TYR 141 Ca 0.03 0.87 0.00 0.00 3.31 0.00 0.00 57.90 62.11 1xa1 n TYR 141 Cb 0.19 -4.68 0.00 0.00 0.49 0.00 0.00 39.34 35.34 1xa1 n TYR 141 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1xa1 n LYS 142 N -4.14 0.00 -2.34 2.98 4.01 -1.26 -4.85 118.16 112.55 1xa1 n LYS 142 Ca -0.13 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.27 1xa1 n LYS 142 Cb 0.60 0.00 0.01 0.00 -0.51 0.00 0.00 35.03 35.13 1xa1 n LYS 142 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1xa1 n SER 143 N 0.00 7.57 0.29 4.39 7.64 -1.26 -4.78 113.62 127.47 1xa1 n SER 143 Ca 0.00 -3.51 0.18 0.00 1.01 0.00 0.00 58.87 56.55 1xa1 n SER 143 Cb 0.00 -1.23 0.88 0.00 -1.01 0.00 0.00 64.21 62.85 1xa1 n SER 143 CO 0.00 0.00 0.00 0.10 -3.01 0.00 0.00 175.04 172.13 1xa1 h TYR 144 N 4.21 0.00 -0.00 1.43 -0.00 -1.88 -1.34 116.97 119.38 1xa1 h TYR 144 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.32 1xa1 h TYR 144 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.04 1xa1 h TYR 144 CO 1.42 0.04 -0.16 -2.67 -0.00 0.00 0.00 178.16 176.79 1xa1 n TRP 145 N -3.24 0.00 -3.65 0.10 2.14 -1.26 -2.41 117.44 109.11 1xa1 n TRP 145 Ca -0.01 0.00 -0.39 0.00 2.07 0.00 0.00 57.50 59.17 1xa1 n TRP 145 Cb 0.21 -0.22 -0.09 0.00 -0.81 0.00 0.00 31.31 30.40 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 -2.59 2.36 -1.52 -2.67 -1.94 -0.51 -1.26 119.30 111.17 1xa1 s MET 146 Ca 0.25 -1.93 -0.05 0.00 -1.71 0.00 0.00 55.69 52.25 1xa1 s MET 146 Cb 0.20 -3.79 0.04 0.00 2.01 0.00 0.00 34.83 33.28 1xa1 s MET 146 CO 0.51 -1.15 0.38 0.39 -0.01 0.00 0.00 175.02 175.14 1xa1 n GLU 147 N 4.54 -2.51 0.00 2.03 -0.58 -1.26 -4.91 120.64 117.95 1xa1 n GLU 147 Ca -0.03 0.30 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 1xa1 n GLU 147 Cb 0.41 -4.39 0.00 0.00 -0.57 0.00 0.00 31.44 26.89 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 -2.87 0.00 0.08 1.62 2.03 -1.26 -5.07 116.55 111.08 1xa1 n ASP 148 Ca -0.22 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 54.87 1xa1 n ASP 148 Cb 0.64 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.92 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 0.89 -3.31 1.67 4.64 -1.78 -3.45 113.55 112.20 1xa1 h SER 149 Ca 0.00 -0.80 -0.54 0.00 -0.47 0.00 0.00 61.79 59.98 1xa1 h SER 149 Cb 0.00 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.81 1xa1 h SER 149 CO 0.00 1.59 0.47 -0.22 -0.87 0.00 0.00 176.83 177.80 1xa1 s LEU 150 N -7.94 4.38 -0.00 5.97 2.96 -0.83 -4.69 118.68 118.53 1xa1 s LEU 150 Ca -0.10 1.86 -0.01 0.00 -0.22 0.00 0.00 54.13 55.66 1xa1 s LEU 150 Cb 0.06 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 43.17 1xa1 s LEU 150 CO 0.93 -0.36 0.03 -0.54 -1.32 0.00 0.00 176.35 175.09 1xa1 s LYS 151 N 0.94 0.15 -0.01 1.98 1.02 -1.26 -4.10 119.74 118.46 1xa1 s LYS 151 Ca 0.55 -0.17 -0.10 0.00 0.02 0.00 0.00 55.97 56.27 1xa1 s LYS 151 Cb -0.26 0.06 0.01 0.00 -0.52 0.00 0.00 37.83 37.12 1xa1 s LYS 151 CO 0.29 -0.03 0.20 -1.50 -0.92 0.00 0.00 175.35 173.40 1xa1 s ILE 152 N -0.51 0.07 0.51 2.17 2.07 -0.00 -1.32 121.20 124.19 1xa1 s ILE 152 Ca -0.06 -0.57 -0.03 0.00 -1.41 0.00 0.00 60.65 58.58 1xa1 s ILE 152 Cb -0.04 -0.49 -0.01 0.00 0.13 0.00 0.00 42.46 42.06 1xa1 s ILE 152 CO -0.00 -0.31 0.78 -0.94 -1.91 0.00 0.00 174.94 172.56 1xa1 s SER 153 N -1.28 5.85 0.23 4.50 1.04 -1.26 -1.14 113.70 121.66 1xa1 s SER 153 Ca -0.13 0.61 -0.07 0.00 0.48 0.00 0.00 55.95 56.84 1xa1 s SER 153 Cb -0.06 -1.79 0.21 0.00 0.10 0.00 0.00 66.02 64.48 1xa1 s SER 153 CO 0.02 -0.80 1.88 -1.13 0.98 0.00 0.00 173.24 174.19 1xa1 h ASN 154 N 0.14 1.09 -0.25 7.02 -0.00 -1.62 -0.45 115.58 121.51 1xa1 h ASN 154 Ca -0.46 -0.07 -0.03 0.00 -0.00 0.00 0.00 56.30 55.74 1xa1 h ASN 154 Cb 1.24 -0.27 -0.01 0.00 -0.00 0.00 0.00 38.32 39.28 1xa1 h ASN 154 CO 0.60 0.83 0.04 0.25 -0.00 0.00 0.00 177.43 179.15 1xa1 h LEU 155 N 1.24 0.40 -1.21 0.34 5.85 -1.52 -2.67 115.31 117.75 1xa1 h LEU 155 Ca 0.32 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1xa1 h LEU 155 Cb -0.05 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 1xa1 h LEU 155 CO -0.06 0.56 0.55 -0.33 -0.34 0.00 0.00 178.44 178.82 1xa1 h GLU 156 N 0.22 0.99 -0.90 1.25 5.08 -1.72 -2.18 114.58 117.32 1xa1 h GLU 156 Ca 0.08 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1xa1 h GLU 156 Cb 0.34 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 1xa1 h GLU 156 CO 0.01 0.66 0.59 1.96 -1.00 0.00 0.00 179.01 181.22 1xa1 h GLN 157 N 1.02 1.02 0.01 2.33 1.08 -0.73 0.22 115.11 120.06 1xa1 h GLN 157 Ca 0.33 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.47 1xa1 h GLN 157 Cb 0.05 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.25 1xa1 h GLN 157 CO -0.10 0.67 -0.01 0.28 -0.95 0.00 0.00 178.83 178.72 1xa1 h VAL 158 N 1.05 1.47 -0.31 -0.54 2.07 -1.35 -2.60 116.25 116.04 1xa1 h VAL 158 Ca 0.38 -1.52 0.01 0.00 0.82 0.00 0.00 66.70 66.39 1xa1 h VAL 158 Cb 0.17 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1xa1 h VAL 158 CO -0.14 0.39 0.17 0.40 0.02 0.00 0.00 177.57 178.41 1xa1 h ILE 159 N -0.68 1.02 -0.35 4.57 2.04 -0.93 -1.34 117.51 121.84 1xa1 h ILE 159 Ca -0.00 -0.12 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 1xa1 h ILE 159 Cb 0.65 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1xa1 h ILE 159 CO 0.00 0.06 -0.13 0.58 0.00 0.00 0.00 178.15 178.67 1xa1 h VAL 160 N 0.36 1.28 -0.21 1.67 2.07 -0.69 0.05 116.25 120.78 1xa1 h VAL 160 Ca 0.12 -1.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 1xa1 h VAL 160 Cb 0.01 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1xa1 h VAL 160 CO -0.06 0.40 0.00 0.15 0.02 0.00 0.00 177.57 178.08 1xa1 h PHE 161 N 0.49 0.40 -0.45 1.57 -0.00 -1.41 -0.68 116.94 116.86 1xa1 h PHE 161 Ca 0.08 -0.07 -0.00 0.00 -0.00 0.00 0.00 57.97 57.98 1xa1 h PHE 161 Cb 0.65 -0.10 -0.02 0.00 -0.00 0.00 0.00 35.95 36.47 1xa1 h PHE 161 CO 0.05 0.55 0.26 -0.22 -0.00 0.00 0.00 178.31 178.96 1xa1 h LYS 162 N 0.13 0.62 -0.56 1.11 3.11 -1.14 -1.15 116.57 118.68 1xa1 h LYS 162 Ca 0.06 -0.06 -0.08 0.00 -2.81 0.00 0.00 60.65 57.76 1xa1 h LYS 162 Cb 0.39 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.47 1xa1 h LYS 162 CO 0.01 0.47 0.05 -0.91 -2.81 0.00 0.00 179.45 176.27 1xa1 h ASN 163 N 0.60 0.93 -0.42 4.20 2.35 -0.91 0.62 115.58 122.95 1xa1 h ASN 163 Ca 0.16 -0.28 0.04 0.00 -0.55 0.00 0.00 56.30 55.67 1xa1 h ASN 163 Cb 0.02 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.10 1xa1 h ASN 163 CO -0.03 0.97 0.18 -0.03 -1.65 0.00 0.00 177.43 176.88 1xa1 h MET 164 N 0.85 0.36 0.06 0.81 4.05 -0.71 -3.12 114.93 117.23 1xa1 h MET 164 Ca 0.17 -0.02 -0.25 0.00 -0.28 0.00 0.00 59.70 59.32 1xa1 h MET 164 Cb 0.47 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.17 1xa1 h MET 164 CO 0.02 0.24 -1.16 0.52 0.23 0.00 0.00 176.91 176.75 1xa1 h MET 165 N 0.37 0.12 -1.26 0.39 2.86 -1.08 -3.46 114.93 112.87 1xa1 h MET 165 Ca 0.19 -0.20 -0.69 0.00 -2.06 0.00 0.00 59.70 56.94 1xa1 h MET 165 Cb 0.13 0.08 -0.31 0.00 0.06 0.00 0.00 31.60 31.56 1xa1 h MET 165 CO -0.16 1.07 0.66 0.39 1.06 0.00 0.00 176.91 179.93 1xa1 n GLU 166 N -3.41 2.84 0.00 1.72 -0.58 0.20 -5.09 120.64 116.32 1xa1 n GLU 166 Ca -0.05 -3.51 0.00 0.00 -0.42 0.00 0.00 57.16 53.18 1xa1 n GLU 166 Cb 0.98 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1xa1 n GLU 166 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1xa1 n ASN 169 N -0.77 0.00 0.09 1.62 2.04 -1.26 -5.03 115.26 111.94 1xa1 n ASN 169 Ca 0.57 0.00 0.13 0.00 -0.44 0.00 0.00 54.58 54.84 1xa1 n ASN 169 Cb 0.58 0.00 0.45 0.00 -2.53 0.00 0.00 39.78 38.28 1xa1 n ASN 169 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1xa1 n HIS 170 N 5.23 0.73 -2.39 -2.53 1.44 -1.26 -4.73 115.22 111.71 1xa1 n HIS 170 Ca 0.00 0.22 -0.41 0.00 -2.01 0.00 0.00 57.72 55.52 1xa1 n HIS 170 Cb 0.00 -0.86 -0.04 0.00 0.12 0.00 0.00 29.99 29.22 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 -3.10 3.46 0.61 -1.40 0.40 -1.26 -5.01 117.98 111.69 1xa1 s PHE 171 Ca 0.11 1.60 -0.12 0.00 -0.60 0.00 0.00 56.93 57.92 1xa1 s PHE 171 Cb 0.13 -3.38 -0.04 0.00 0.51 0.00 0.00 43.02 40.24 1xa1 s PHE 171 CO 0.56 -0.89 1.03 -1.54 0.70 0.00 0.00 175.22 175.08 1xa1 s SER 172 N -0.62 6.20 0.20 1.36 1.04 -1.26 -4.93 113.70 115.70 1xa1 s SER 172 Ca 0.47 1.48 -0.09 0.00 0.48 0.00 0.00 55.95 58.28 1xa1 s SER 172 Cb -0.33 -2.48 0.14 0.00 0.10 0.00 0.00 66.02 63.45 1xa1 s SER 172 CO 0.42 -0.89 1.81 0.11 0.98 0.00 0.00 173.24 175.68 1xa1 h LYS 173 N -0.12 1.07 -0.35 4.02 1.57 -1.95 -1.68 116.57 119.12 1xa1 h LYS 173 Ca -0.45 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.13 1xa1 h LYS 173 Cb 1.19 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1xa1 h LYS 173 CO 0.61 0.81 -0.05 1.57 -0.57 0.00 0.00 179.45 181.82 1xa1 h LYS 174 N 1.05 0.58 -0.47 3.15 2.10 -1.99 0.06 116.57 121.05 1xa1 h LYS 174 Ca 0.26 -0.15 -0.06 0.00 -2.00 0.00 0.00 60.65 58.71 1xa1 h LYS 174 Cb 0.08 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 31.32 1xa1 h LYS 174 CO -0.04 0.64 0.06 0.00 -2.00 0.00 0.00 179.45 178.11 1xa1 h ALA 175 N 1.41 0.62 -0.46 0.07 0.00 -1.87 -1.38 119.26 117.65 1xa1 h ALA 175 Ca 0.11 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1xa1 h ALA 175 Cb 0.42 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1xa1 h ALA 175 CO 0.02 0.36 0.07 0.87 0.00 0.00 0.00 179.25 180.57 1xa1 h LYS 176 N 0.65 0.76 -0.43 0.00 1.57 -0.84 -1.05 116.57 117.23 1xa1 h LYS 176 Ca 0.14 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1xa1 h LYS 176 Cb 0.41 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 1xa1 h LYS 176 CO 0.01 0.78 0.23 -0.91 -0.57 0.00 0.00 179.45 178.99 1xa1 h ASN 177 N 0.63 0.55 -0.48 0.86 2.35 -0.91 0.56 115.58 119.14 1xa1 h ASN 177 Ca 0.14 -0.10 -0.11 0.00 -0.55 0.00 0.00 56.30 55.67 1xa1 h ASN 177 Cb 0.39 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1xa1 h ASN 177 CO 0.01 0.50 -0.13 -0.61 -1.65 0.00 0.00 177.43 175.55 1xa1 h GLN 178 N 0.56 0.97 -0.05 0.81 4.15 -1.10 -1.07 115.11 119.39 1xa1 h GLN 178 Ca 0.15 -0.36 -0.00 0.00 0.77 0.00 0.00 58.65 59.21 1xa1 h GLN 178 Cb 0.08 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.70 1xa1 h GLN 178 CO -0.02 1.03 0.02 1.25 -1.93 0.00 0.00 178.83 179.18 1xa1 h LEU 179 N 0.86 0.07 -0.26 -2.39 5.85 -1.04 -2.48 115.31 115.91 1xa1 h LEU 179 Ca 0.13 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.74 1xa1 h LEU 179 Cb 0.68 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1xa1 h LEU 179 CO 0.05 0.21 -0.02 -1.28 -0.34 0.00 0.00 178.44 177.06 1xa1 h SER 180 N -0.08 -0.15 -0.84 1.25 0.87 -0.69 -1.66 113.55 112.25 1xa1 h SER 180 Ca 0.02 0.07 0.14 0.00 -1.23 0.00 0.00 61.79 60.78 1xa1 h SER 180 Cb 0.16 0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.19 1xa1 h SER 180 CO -0.00 -0.05 0.55 0.28 -0.53 0.00 0.00 176.83 177.08 1xa1 h SER 181 N 0.05 0.59 0.85 6.23 0.02 -1.11 -0.51 113.55 119.66 1xa1 h SER 181 Ca 0.13 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1xa1 h SER 181 Cb 0.17 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 1xa1 h SER 181 CO -0.23 0.31 -0.08 0.77 -1.14 0.00 0.00 176.83 176.45 1xa1 h SER 182 N 0.63 0.00 0.01 3.07 4.64 -0.83 -3.15 113.55 117.91 1xa1 h SER 182 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1xa1 h SER 182 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1xa1 h SER 182 CO -0.17 0.08 -0.20 0.18 -0.87 0.00 0.00 176.83 175.86 1xa1 n LEU 183 N -3.25 2.26 -4.68 5.97 4.77 -0.21 -4.46 117.00 117.39 1xa1 n LEU 183 Ca -0.00 -0.77 -0.42 0.00 -0.03 0.00 0.00 56.01 54.79 1xa1 n LEU 183 Cb 0.32 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1xa1 n LEU 183 CO 0.29 0.39 1.26 -0.22 -1.33 0.00 0.00 177.39 177.78 1xa1 s LEU 184 N -2.22 4.33 -0.20 2.23 2.96 -1.14 -1.22 118.68 123.41 1xa1 s LEU 184 Ca 0.26 2.25 -0.08 0.00 -0.22 0.00 0.00 54.13 56.34 1xa1 s LEU 184 Cb 0.19 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 43.24 1xa1 s LEU 184 CO 0.42 -0.84 -0.24 -0.38 -1.32 0.00 0.00 176.35 174.00 1xa1 n ILE 185 N 4.97 1.10 -3.87 6.68 5.41 0.18 -4.95 119.36 128.88 1xa1 n ILE 185 Ca 0.15 -0.31 -0.12 0.00 1.00 0.00 0.00 62.75 63.47 1xa1 n ILE 185 Cb 0.42 -1.64 -0.13 0.00 -0.71 0.00 0.00 39.64 37.58 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 -2.37 0.07 -0.03 0.38 2.20 -1.00 -5.00 119.74 113.99 1xa1 s LYS 186 Ca -0.28 -0.03 -0.01 0.00 -0.36 0.00 0.00 55.97 55.29 1xa1 s LYS 186 Cb 0.10 0.03 0.03 0.00 -1.51 0.00 0.00 37.83 36.48 1xa1 s LYS 186 CO 0.37 -0.01 0.06 0.21 -0.36 0.00 0.00 175.35 175.62 1xa1 s LYS 187 N -0.16 -0.00 0.00 4.03 2.20 -1.26 -0.24 119.74 124.31 1xa1 s LYS 187 Ca -0.02 0.24 0.00 0.00 -0.36 0.00 0.00 55.97 55.83 1xa1 s LYS 187 Cb -0.01 -0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.08 1xa1 s LYS 187 CO -0.00 -0.17 0.00 0.27 -0.36 0.00 0.00 175.35 175.09 1xa1 n ASN 188 N 4.19 0.61 0.22 1.43 0.23 -0.34 -5.02 115.26 116.58 1xa1 n ASN 188 Ca -0.28 -0.53 0.06 0.00 -0.53 0.00 0.00 54.58 53.30 1xa1 n ASN 188 Cb 0.50 0.00 0.52 0.00 -2.08 0.00 0.00 39.78 38.72 1xa1 n ASN 188 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1xa1 h GLU 189 N 0.00 0.02 0.03 -3.83 5.08 -2.01 -3.20 114.58 110.66 1xa1 h GLU 189 Ca 0.00 -0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1xa1 h GLU 189 Cb 0.00 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1xa1 h GLU 189 CO 0.00 0.16 -1.88 1.63 -1.00 0.00 0.00 179.01 177.92 1xa1 n LYS 190 N -4.36 0.67 -3.48 2.33 4.76 -1.26 -4.91 118.16 111.91 1xa1 n LYS 190 Ca -0.02 0.25 -0.12 0.00 -2.87 0.00 0.00 58.31 55.55 1xa1 n LYS 190 Cb 0.22 -1.73 -0.03 0.00 -1.84 0.00 0.00 35.03 31.65 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 -2.57 -0.46 -0.12 2.13 1.13 -1.21 -3.99 117.35 112.26 1xa1 s TYR 191 Ca -0.10 0.23 0.03 0.00 -1.41 0.00 0.00 57.07 55.82 1xa1 s TYR 191 Cb 0.07 0.48 0.00 0.00 -1.10 0.00 0.00 41.96 41.42 1xa1 s TYR 191 CO 0.81 -0.81 -0.22 -1.21 -2.51 0.00 0.00 175.55 171.61 1xa1 s GLU 192 N -3.73 3.09 -0.15 -3.49 2.02 -0.23 -1.20 118.70 115.01 1xa1 s GLU 192 Ca 0.01 -0.85 -0.01 0.00 0.02 0.00 0.00 54.97 54.14 1xa1 s GLU 192 Cb -0.00 -2.38 -0.02 0.00 0.10 0.00 0.00 34.13 31.83 1xa1 s GLU 192 CO -0.12 0.13 -0.10 -1.17 0.02 0.00 0.00 175.26 174.01 1xa1 s LEU 193 N 0.49 2.87 0.09 1.80 1.98 0.67 -0.92 118.68 125.65 1xa1 s LEU 193 Ca -0.14 -0.29 0.10 0.00 -2.89 0.00 0.00 54.13 50.91 1xa1 s LEU 193 Cb -0.17 -1.67 -0.03 0.00 0.66 0.00 0.00 46.19 44.98 1xa1 s LEU 193 CO 0.05 0.14 -0.26 -0.31 -1.89 0.00 0.00 176.35 174.08 1xa1 s TYR 194 N 0.50 2.32 0.00 5.38 2.02 0.07 -0.64 117.35 127.00 1xa1 s TYR 194 Ca -0.07 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 1xa1 s TYR 194 Cb -0.15 -1.32 0.00 0.00 -0.40 0.00 0.00 41.96 40.08 1xa1 s TYR 194 CO 0.04 0.24 0.00 0.41 -1.57 0.00 0.00 175.55 174.66 1xa1 n GLY 195 N 1.33 -0.50 2.92 0.71 0.00 -0.36 -1.51 105.19 107.79 1xa1 n GLY 195 Ca -0.17 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 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 0.09 0.54 1.61 2.47 0.13 -4.81 119.74 117.77 1xa1 s LYS 196 Ca 0.00 0.31 -0.10 0.00 -1.56 0.00 0.00 55.97 54.62 1xa1 s LYS 196 Cb 0.00 -0.13 -0.04 0.00 -1.46 0.00 0.00 37.83 36.19 1xa1 s LYS 196 CO 0.00 -0.13 0.92 0.95 0.16 0.00 0.00 175.35 177.25 1xa1 s THR 197 N 0.91 4.77 -0.07 3.43 -4.23 -1.26 -1.90 115.64 117.28 1xa1 s THR 197 Ca -0.07 0.66 -0.11 0.00 -1.18 0.00 0.00 61.69 60.99 1xa1 s THR 197 Cb -0.09 -3.84 0.02 0.00 1.34 0.00 0.00 72.50 69.93 1xa1 s THR 197 CO -0.04 -0.95 0.28 -0.83 -0.54 0.00 0.00 174.62 172.53 1xa1 s GLY 198 N -3.95 -0.17 -0.08 3.99 0.00 -0.77 -3.36 107.32 102.98 1xa1 s GLY 198 Ca 0.52 0.57 -0.04 0.00 0.00 0.00 0.00 44.72 45.77 1xa1 s GLY 198 CO 0.47 0.42 0.19 -1.59 0.00 0.00 0.00 173.10 172.59 1xa1 s THR 199 N -0.43 -0.09 -0.21 0.90 2.01 -1.26 -0.75 115.64 115.81 1xa1 s THR 199 Ca -0.05 0.19 -0.06 0.00 0.31 0.00 0.00 61.69 62.08 1xa1 s THR 199 Cb -0.04 -0.30 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 1xa1 s THR 199 CO 0.02 0.08 0.04 -0.83 -0.69 0.00 0.00 174.62 173.24 1xa1 s GLY 200 N 1.39 1.79 -0.14 4.40 0.00 0.96 -4.74 107.32 110.99 1xa1 s GLY 200 Ca -0.07 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1xa1 s GLY 200 CO -0.07 0.26 -0.14 -0.42 0.00 0.00 0.00 173.10 172.72 1xa1 s ILE 201 N 0.97 2.84 -0.23 0.90 1.01 -1.26 -0.57 121.20 124.86 1xa1 s ILE 201 Ca 0.03 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 59.97 1xa1 s ILE 201 Cb -0.14 -2.19 0.05 0.00 0.01 0.00 0.00 42.46 40.19 1xa1 s ILE 201 CO 0.02 0.52 -0.10 -0.69 0.00 0.00 0.00 174.94 174.69 1xa1 s VAL 202 N 0.57 1.87 -1.48 2.92 1.01 0.25 -4.77 120.40 120.77 1xa1 s VAL 202 Ca -0.09 -1.34 -0.11 0.00 0.00 0.00 0.00 61.98 60.45 1xa1 s VAL 202 Cb -0.16 -2.00 0.07 0.00 0.00 0.00 0.00 36.38 34.29 1xa1 s VAL 202 CO 0.03 0.03 0.91 -3.20 0.00 0.00 0.00 175.10 172.87 1xa1 n ASN 203 N 4.56 -3.90 0.00 3.32 4.05 -1.26 -1.94 115.26 120.10 1xa1 n ASN 203 Ca -0.14 -0.80 0.00 0.00 0.45 0.00 0.00 54.58 54.09 1xa1 n ASN 203 Cb 0.44 -3.89 0.00 0.00 1.23 0.00 0.00 39.78 37.56 1xa1 n ASN 203 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1xa1 n GLY 204 N -1.68 1.81 3.74 8.20 0.00 -1.26 -5.04 105.19 110.96 1xa1 n GLY 204 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1xa1 n GLY 204 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xa1 s LYS 205 N -0.53 4.22 0.12 1.61 2.20 -0.82 -5.05 119.74 121.49 1xa1 s LYS 205 Ca 0.00 0.17 -0.31 0.00 -0.36 0.00 0.00 55.97 55.47 1xa1 s LYS 205 Cb 0.00 -3.41 -0.09 0.00 -1.51 0.00 0.00 37.83 32.83 1xa1 s LYS 205 CO 0.00 0.27 1.55 0.71 -0.36 0.00 0.00 175.35 177.53 1xa1 s TYR 206 N 0.34 2.88 0.00 4.03 4.12 -1.26 -0.58 117.35 126.88 1xa1 s TYR 206 Ca 0.18 0.60 0.00 0.00 0.02 0.00 0.00 57.07 57.87 1xa1 s TYR 206 Cb -0.14 -3.88 0.00 0.00 -1.52 0.00 0.00 41.96 36.42 1xa1 s TYR 206 CO 0.06 -3.33 0.00 -1.71 0.02 0.00 0.00 175.55 170.59 1xa1 n ASN 207 N 4.56 1.90 -3.19 2.29 5.15 0.27 -4.56 115.26 121.68 1xa1 n ASN 207 Ca 0.14 -0.17 0.04 0.00 -0.60 0.00 0.00 54.58 53.99 1xa1 n ASN 207 Cb 0.40 0.72 -0.01 0.00 -0.53 0.00 0.00 39.78 40.36 1xa1 n ASN 207 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1xa1 s ASN 208 N -1.10 -1.37 -0.05 1.20 3.84 -1.14 -4.69 114.94 111.64 1xa1 s ASN 208 Ca 0.00 0.93 0.05 0.00 0.21 0.00 0.00 52.86 54.05 1xa1 s ASN 208 Cb 0.00 2.18 -0.01 0.00 -0.55 0.00 0.00 41.25 42.87 1xa1 s ASN 208 CO 0.00 -0.26 -0.19 -0.83 -2.79 0.00 0.00 177.10 173.03 1xa1 s GLY 209 N 2.86 1.01 0.04 1.21 0.00 -0.65 -0.02 107.32 111.77 1xa1 s GLY 209 Ca 0.19 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 44.16 1xa1 s GLY 209 CO -0.21 -0.43 -0.08 -0.98 0.00 0.00 0.00 173.10 171.40 1xa1 s TRP 210 N -0.02 0.69 -0.06 1.90 0.52 0.07 -0.33 118.94 121.71 1xa1 s TRP 210 Ca -0.04 -0.46 -0.03 0.00 0.02 0.00 0.00 56.10 55.60 1xa1 s TRP 210 Cb -0.12 -0.42 0.04 0.00 -1.15 0.00 0.00 33.47 31.83 1xa1 s TRP 210 CO 0.02 -0.07 0.12 0.12 0.02 0.00 0.00 176.95 177.17 1xa1 s PHE 211 N -1.25 -0.09 -0.10 -1.98 5.36 -0.69 -1.85 117.98 117.39 1xa1 s PHE 211 Ca -0.08 0.46 0.02 0.00 -0.96 0.00 0.00 56.93 56.37 1xa1 s PHE 211 Cb -0.09 -0.32 0.01 0.00 -0.34 0.00 0.00 43.02 42.28 1xa1 s PHE 211 CO 0.00 -0.23 -0.16 0.08 -1.46 0.00 0.00 175.22 173.45 1xa1 s VAL 212 N 2.11 1.54 0.00 3.12 1.01 -0.80 -1.12 120.40 126.25 1xa1 s VAL 212 Ca 0.02 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1xa1 s VAL 212 Cb -0.12 -1.38 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1xa1 s VAL 212 CO -0.05 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1xa1 n GLY 213 N 3.97 1.99 3.27 4.51 0.00 -0.45 -0.70 105.19 117.78 1xa1 n GLY 213 Ca -0.20 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.36 -0.09 -0.09 1.61 1.13 -0.57 -0.99 117.35 114.99 1xa1 s TYR 214 Ca 0.00 -0.15 0.04 0.00 -1.41 0.00 0.00 57.07 55.55 1xa1 s TYR 214 Cb 0.00 0.12 -0.00 0.00 -1.10 0.00 0.00 41.96 40.98 1xa1 s TYR 214 CO 0.00 -0.58 -0.24 0.08 -2.51 0.00 0.00 175.55 172.31 1xa1 s VAL 215 N -3.22 2.00 -0.21 -3.49 1.01 0.48 -0.75 120.40 116.22 1xa1 s VAL 215 Ca -0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 1xa1 s VAL 215 Cb 0.01 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1xa1 s VAL 215 CO -0.08 0.55 0.03 -0.63 0.00 0.00 0.00 175.10 174.98 1xa1 s ILE 216 N 0.22 4.22 0.54 2.22 1.01 -0.09 -0.64 121.20 128.68 1xa1 s ILE 216 Ca -0.15 -0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.34 1xa1 s ILE 216 Cb -0.17 -2.93 0.04 0.00 0.01 0.00 0.00 42.46 39.42 1xa1 s ILE 216 CO 0.07 0.41 0.39 0.42 0.00 0.00 0.00 174.94 176.23 1xa1 s THR 217 N 1.06 1.63 -1.43 2.92 -4.23 0.10 -1.07 115.64 114.62 1xa1 s THR 217 Ca 0.03 -1.51 0.16 0.00 -1.18 0.00 0.00 61.69 59.19 1xa1 s THR 217 Cb -0.14 -2.13 0.28 0.00 1.34 0.00 0.00 72.50 71.84 1xa1 s THR 217 CO 0.02 0.00 1.46 0.59 -0.54 0.00 0.00 174.62 176.16 1xa1 n ASN 218 N -1.75 0.00 0.00 3.99 4.13 -1.26 -3.69 115.26 116.69 1xa1 n ASN 218 Ca -0.02 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.30 1xa1 n ASN 218 Cb 0.64 -0.29 0.00 0.00 -1.54 0.00 0.00 39.78 38.60 1xa1 n ASN 218 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1xa1 n HIS 219 N -1.29 0.00 -3.95 3.10 8.25 -1.26 -5.13 115.22 114.95 1xa1 n HIS 219 Ca 0.08 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.44 1xa1 n HIS 219 Cb 0.13 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 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 -0.68 0.03 -0.04 0.41 3.68 -1.24 -4.93 116.67 113.89 1xa1 s ASP 220 Ca 0.00 -0.97 0.01 0.00 2.13 0.00 0.00 52.55 53.72 1xa1 s ASP 220 Cb 0.00 0.67 0.02 0.00 -1.45 0.00 0.00 42.92 42.17 1xa1 s ASP 220 CO 0.00 -1.30 -0.05 -0.75 0.13 0.00 0.00 175.17 173.19 1xa1 s LYS 221 N -3.58 0.92 -0.16 4.34 2.20 -1.26 -0.72 119.74 121.48 1xa1 s LYS 221 Ca 0.20 -0.15 0.01 0.00 -0.36 0.00 0.00 55.97 55.67 1xa1 s LYS 221 Cb -0.03 -0.89 0.02 0.00 -1.51 0.00 0.00 37.83 35.43 1xa1 s LYS 221 CO 0.11 -0.06 -0.17 0.71 -0.36 0.00 0.00 175.35 175.57 1xa1 s TYR 222 N 0.84 2.44 0.17 4.03 2.02 0.19 -1.17 117.35 125.86 1xa1 s TYR 222 Ca -0.12 -1.37 -0.18 0.00 -0.37 0.00 0.00 57.07 55.03 1xa1 s TYR 222 Cb -0.14 -1.73 -0.08 0.00 -0.40 0.00 0.00 41.96 39.61 1xa1 s TYR 222 CO 0.01 -0.70 0.64 0.71 -1.57 0.00 0.00 175.55 174.64 1xa1 s TYR 223 N 1.30 3.67 0.15 2.71 1.51 -0.43 -0.39 117.35 125.86 1xa1 s TYR 223 Ca 0.03 1.27 -0.12 0.00 -1.01 0.00 0.00 57.07 57.24 1xa1 s TYR 223 Cb -0.13 -2.52 0.01 0.00 -0.11 0.00 0.00 41.96 39.20 1xa1 s TYR 223 CO -0.10 0.41 0.33 -0.59 -1.11 0.00 0.00 175.55 174.50 1xa1 s PHE 224 N -1.43 0.14 -0.22 2.71 -0.12 -0.16 -0.19 117.98 118.72 1xa1 s PHE 224 Ca 0.39 -0.51 -0.17 0.00 -0.05 0.00 0.00 56.93 56.59 1xa1 s PHE 224 Cb -0.17 0.09 0.06 0.00 -0.63 0.00 0.00 43.02 42.37 1xa1 s PHE 224 CO 0.20 -0.72 0.56 0.00 -0.05 0.00 0.00 175.22 175.22 1xa1 s ALA 225 N -3.90 -1.43 -0.11 1.99 0.00 -0.34 -1.33 121.76 116.64 1xa1 s ALA 225 Ca 0.11 1.73 0.00 0.00 0.00 0.00 0.00 51.96 53.80 1xa1 s ALA 225 Cb 0.02 -1.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.11 1xa1 s ALA 225 CO -0.05 -0.29 -0.11 0.99 0.00 0.00 0.00 175.76 176.30 1xa1 s THR 226 N 0.70 3.23 -0.03 0.00 2.01 -0.28 -1.40 115.64 119.87 1xa1 s THR 226 Ca -0.03 -0.62 0.07 0.00 0.31 0.00 0.00 61.69 61.42 1xa1 s THR 226 Cb -0.05 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.10 1xa1 s THR 226 CO -0.05 0.54 -0.25 -2.28 -0.69 0.00 0.00 174.62 171.90 1xa1 s HIS 227 N 0.00 2.39 -0.13 4.92 2.46 -0.76 -1.70 115.29 122.46 1xa1 s HIS 227 Ca -0.03 -0.48 0.01 0.00 0.47 0.00 0.00 55.06 55.03 1xa1 s HIS 227 Cb -0.14 -1.54 -0.00 0.00 -0.13 0.00 0.00 32.58 30.77 1xa1 s HIS 227 CO 0.04 -0.06 -0.17 -0.51 -2.47 0.00 0.00 174.74 171.56 1xa1 s LEU 228 N -0.51 2.43 -0.01 8.88 1.43 0.55 -1.32 118.68 130.12 1xa1 s LEU 228 Ca 0.07 -0.46 0.13 0.00 -1.03 0.00 0.00 54.13 52.84 1xa1 s LEU 228 Cb -0.11 -1.53 -0.19 0.00 0.03 0.00 0.00 46.19 44.39 1xa1 s LEU 228 CO 0.00 0.13 0.34 -1.54 0.23 0.00 0.00 176.35 175.51 1xa1 n SER 229 N 3.77 1.70 -3.56 2.29 3.41 -0.21 -1.64 113.62 119.38 1xa1 n SER 229 Ca -0.19 -0.18 -0.11 0.00 -0.26 0.00 0.00 58.87 58.13 1xa1 n SER 229 Cb 0.52 1.46 -0.03 0.00 -0.26 0.00 0.00 64.21 65.90 1xa1 n SER 229 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xa1 s ASP 230 N -3.19 -0.41 0.00 4.04 2.15 -1.22 -4.77 116.67 113.27 1xa1 s ASP 230 Ca -0.03 -0.21 0.00 0.00 0.43 0.00 0.00 52.55 52.75 1xa1 s ASP 230 Cb 0.09 0.58 0.00 0.00 -0.30 0.00 0.00 42.92 43.28 1xa1 s ASP 230 CO 0.54 -0.99 0.00 0.61 -0.17 0.00 0.00 175.17 175.16 1xa1 n GLY 231 N -0.34 1.09 2.51 2.66 0.00 -1.26 -1.09 105.19 108.76 1xa1 n GLY 231 Ca -0.14 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 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 1.38 -2.42 1.61 4.81 -1.26 -5.01 118.16 117.27 1xa1 n LYS 232 Ca 0.00 -3.96 -0.43 0.00 -0.87 0.00 0.00 58.31 53.05 1xa1 n LYS 232 Cb 0.00 -1.91 0.00 0.00 0.02 0.00 0.00 35.03 33.14 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 1.79 3.24 -4.27 1.64 -0.04 -1.26 -4.76 135.00 131.34 1xa1 n PRO 233 Ca 0.25 -3.30 -0.24 0.00 -0.04 0.00 0.00 63.50 60.17 1xa1 n PRO 233 Cb 0.43 -3.22 -0.07 0.00 -0.04 0.00 0.00 33.50 30.59 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 2.97 4.59 0.28 3.54 1.04 -1.26 -2.38 113.70 122.49 1xa1 s SER 234 Ca 0.47 -0.57 -0.03 0.00 0.48 0.00 0.00 55.95 56.30 1xa1 s SER 234 Cb 0.06 -0.89 0.40 0.00 0.10 0.00 0.00 66.02 65.69 1xa1 s SER 234 CO 0.01 0.03 1.91 1.23 0.98 0.00 0.00 173.24 177.40 1xa1 h GLY 235 N 2.18 1.12 0.98 7.32 0.00 -1.72 -0.54 103.07 112.42 1xa1 h GLY 235 Ca -0.45 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.37 1xa1 h GLY 235 CO 0.59 0.47 0.28 1.70 0.00 0.00 0.00 176.54 179.58 1xa1 h LYS 236 N 1.06 0.79 -0.28 4.80 3.64 -1.86 -0.86 116.57 123.86 1xa1 h LYS 236 Ca 0.27 -0.11 -0.17 0.00 -1.27 0.00 0.00 60.65 59.37 1xa1 h LYS 236 Cb 0.01 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1xa1 h LYS 236 CO -0.05 0.64 -0.51 -0.97 -2.27 0.00 0.00 179.45 176.29 1xa1 h ASN 237 N 0.75 0.88 -0.34 4.20 -1.24 -1.78 -2.09 115.58 115.96 1xa1 h ASN 237 Ca 0.19 -0.46 -0.03 0.00 0.71 0.00 0.00 56.30 56.72 1xa1 h ASN 237 Cb 0.09 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 38.87 1xa1 h ASN 237 CO -0.03 1.23 0.13 0.00 -1.29 0.00 0.00 177.43 177.47 1xa1 h ALA 238 N 0.79 1.46 -0.14 1.57 0.00 -0.84 -1.07 119.26 121.02 1xa1 h ALA 238 Ca 0.02 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1xa1 h ALA 238 Cb 1.10 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1xa1 h ALA 238 CO 0.11 0.40 -0.22 1.49 0.00 0.00 0.00 179.25 181.04 1xa1 h GLU 239 N 0.58 0.40 -0.50 0.00 4.81 -0.91 -1.29 114.58 117.67 1xa1 h GLU 239 Ca 0.14 -0.24 0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1xa1 h GLU 239 Cb 0.18 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 1xa1 h GLU 239 CO -0.01 0.82 0.22 -0.07 -0.73 0.00 0.00 179.01 179.25 1xa1 h LEU 240 N 0.01 0.29 -0.53 1.64 3.38 -1.15 -0.10 115.31 118.85 1xa1 h LEU 240 Ca 0.01 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1xa1 h LEU 240 Cb 0.78 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1xa1 h LEU 240 CO 0.05 0.20 0.12 0.40 0.09 0.00 0.00 178.44 179.30 1xa1 h ILE 241 N 0.43 1.25 -0.35 1.22 2.04 -1.20 -0.59 117.51 120.31 1xa1 h ILE 241 Ca 0.23 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.24 1xa1 h ILE 241 Cb 0.18 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1xa1 h ILE 241 CO -0.19 0.32 0.13 0.28 0.00 0.00 0.00 178.15 178.69 1xa1 h SER 242 N 0.74 0.14 -0.11 1.72 0.02 -0.81 -0.71 113.55 114.55 1xa1 h SER 242 Ca 0.16 0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 61.05 1xa1 h SER 242 Cb 0.35 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1xa1 h SER 242 CO 0.00 0.12 -0.26 -0.33 -1.14 0.00 0.00 176.83 175.22 1xa1 h GLU 243 N 0.28 0.56 -0.40 3.45 5.08 -0.82 0.47 114.58 123.20 1xa1 h GLU 243 Ca 0.16 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1xa1 h GLU 243 Cb 0.13 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1xa1 h GLU 243 CO -0.16 0.78 0.09 0.87 -1.00 0.00 0.00 179.01 179.58 1xa1 h LYS 244 N 0.49 0.64 -0.19 2.33 1.57 -0.74 -2.00 116.57 118.66 1xa1 h LYS 244 Ca 0.07 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1xa1 h LYS 244 Cb 0.71 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1xa1 h LYS 244 CO 0.05 0.67 -0.02 0.82 -0.57 0.00 0.00 179.45 180.41 1xa1 h ILE 245 N 0.50 1.27 -0.68 1.86 2.04 -0.85 -0.40 117.51 121.25 1xa1 h ILE 245 Ca 0.12 -0.93 0.06 0.00 1.00 0.00 0.00 64.86 65.11 1xa1 h ILE 245 Cb 0.32 1.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 1xa1 h ILE 245 CO 0.00 0.28 0.38 -0.07 0.00 0.00 0.00 178.15 178.75 1xa1 h LEU 246 N 0.09 0.58 0.19 1.44 3.38 -0.88 0.19 115.31 120.30 1xa1 h LEU 246 Ca 0.05 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1xa1 h LEU 246 Cb 0.43 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1xa1 h LEU 246 CO 0.01 0.38 -0.09 0.50 0.09 0.00 0.00 178.44 179.33 1xa1 h LYS 247 N 0.71 -0.25 -0.46 1.13 3.64 -1.26 -1.88 116.57 118.22 1xa1 h LYS 247 Ca 0.30 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.75 1xa1 h LYS 247 Cb 0.17 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1xa1 h LYS 247 CO -0.17 -0.05 0.31 1.49 -2.27 0.00 0.00 179.45 178.75 1xa1 h GLU 248 N -0.41 0.37 -0.00 1.90 4.22 -0.72 -1.51 114.58 118.44 1xa1 h GLU 248 Ca -0.03 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.39 1xa1 h GLU 248 Cb 0.31 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1xa1 h GLU 248 CO 0.04 0.25 -0.06 -1.33 -2.18 0.00 0.00 179.01 175.73 1xa1 n MET 249 N -4.48 0.20 -0.64 1.92 2.81 0.02 -4.93 117.12 112.03 1xa1 n MET 249 Ca 0.06 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1xa1 n MET 249 Cb 0.24 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 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 1.41 0.73 0.26 3.03 0.00 -0.57 -4.94 105.19 105.12 1xa1 n GLY 250 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 1.19 -0.03 1.61 2.07 -1.56 -2.93 116.25 116.60 1xa1 h VAL 251 Ca 0.00 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1xa1 h VAL 251 Cb 0.00 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1xa1 h VAL 251 CO 0.00 0.26 0.00 0.18 0.02 0.00 0.00 177.57 178.03 1xa1 n LEU 252 N -4.28 0.47 -0.85 2.57 4.77 -1.24 -4.94 117.00 113.50 1xa1 n LEU 252 Ca 0.01 -0.18 0.11 0.00 -0.03 0.00 0.00 56.01 55.91 1xa1 n LEU 252 Cb 0.25 -0.02 0.09 0.00 -2.33 0.00 0.00 43.42 41.41 1xa1 n LEU 252 CO 0.39 0.09 0.58 -0.46 -1.33 0.00 0.00 177.39 176.66