#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xgq n ASP 1 N 0.00 3.82 -4.72 6.12 9.92 -1.26 -4.90 116.55 125.53 1xgq n ASP 1 Ca 0.00 1.08 -0.42 0.00 -0.53 0.00 0.00 54.79 54.92 1xgq n ASP 1 Cb 0.00 -1.55 -0.03 0.00 -0.64 0.00 0.00 41.12 38.90 1xgq n ASP 1 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1xgq s ILE 2 N 0.91 3.37 -0.16 0.53 1.01 -1.26 -5.01 121.20 120.59 1xgq s ILE 2 Ca 0.74 0.98 -0.06 0.00 0.00 0.00 0.00 60.65 62.31 1xgq s ILE 2 Cb -0.53 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1xgq s ILE 2 CO 0.36 0.08 0.05 -0.69 0.00 0.00 0.00 174.94 174.74 1xgq s VAL 3 N 1.09 4.68 -0.19 2.92 1.01 -1.26 -4.78 120.40 123.87 1xgq s VAL 3 Ca 0.64 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.51 1xgq s VAL 3 Cb -0.36 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 1xgq s VAL 3 CO 0.30 0.51 -0.08 -0.76 0.00 0.00 0.00 175.10 175.07 1xgq s LEU 4 N -0.01 2.77 -0.21 3.92 1.43 -1.26 -1.47 118.68 123.85 1xgq s LEU 4 Ca 0.05 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1xgq s LEU 4 Cb -0.12 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 1xgq s LEU 4 CO 0.01 0.03 0.00 -0.89 0.23 0.00 0.00 176.35 175.74 1xgq s THR 5 N 1.16 3.94 0.05 5.49 2.01 0.75 -3.75 115.64 125.29 1xgq s THR 5 Ca 0.02 -0.31 0.04 0.00 0.31 0.00 0.00 61.69 61.74 1xgq s THR 5 Cb -0.14 -2.79 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1xgq s THR 5 CO -0.02 0.42 -0.03 -1.10 -0.69 0.00 0.00 174.62 173.19 1xgq s GLN 6 N 1.09 2.53 -0.01 4.92 -0.21 -1.26 0.18 119.66 126.90 1xgq s GLN 6 Ca 0.02 -0.79 -0.21 0.00 0.02 0.00 0.00 55.36 54.41 1xgq s GLN 6 Cb -0.14 -2.52 0.04 0.00 1.00 0.00 0.00 33.01 31.39 1xgq s GLN 6 CO 0.02 0.57 0.45 -1.54 -2.12 0.00 0.00 175.29 172.66 1xgq s SER 7 N -1.90 -0.36 0.85 5.90 1.04 -0.82 -4.49 113.70 113.93 1xgq s SER 7 Ca 0.21 0.25 -0.12 0.00 0.48 0.00 0.00 55.95 56.78 1xgq s SER 7 Cb -0.11 0.41 0.10 0.00 0.10 0.00 0.00 66.02 66.52 1xgq s SER 7 CO 0.13 -0.56 1.11 -2.84 0.98 0.00 0.00 173.24 172.07 1xgq s PRO 8 N -1.60 1.64 0.32 4.02 0.02 -1.26 -1.80 135.00 136.34 1xgq s PRO 8 Ca -0.11 0.52 0.03 0.00 0.02 0.00 0.00 61.00 61.46 1xgq s PRO 8 Cb -0.03 -1.88 0.54 0.00 0.02 0.00 0.00 34.50 33.16 1xgq s PRO 8 CO 0.04 -1.90 1.86 0.00 -0.33 0.00 0.00 177.00 176.68 1xgq h ALA 9 N -1.29 1.33 -2.99 -1.55 0.00 -1.85 -3.42 119.26 109.49 1xgq h ALA 9 Ca -0.49 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.06 1xgq h ALA 9 Cb 1.29 -0.17 -0.22 0.00 0.00 0.00 0.00 17.79 18.69 1xgq h ALA 9 CO 0.60 0.47 -0.60 -0.08 0.00 0.00 0.00 179.25 179.64 1xgq s THR 10 N -5.07 0.08 -0.06 0.00 -1.32 -1.26 -0.89 115.64 107.12 1xgq s THR 10 Ca -0.08 -0.64 -0.03 0.00 -1.21 0.00 0.00 61.69 59.73 1xgq s THR 10 Cb 0.16 -0.31 0.04 0.00 -1.51 0.00 0.00 72.50 70.88 1xgq s THR 10 CO 0.78 -0.35 0.12 -0.22 -2.21 0.00 0.00 174.62 172.73 1xgq s LEU 11 N -1.14 0.13 -0.25 9.08 0.20 0.10 -4.90 118.68 121.90 1xgq s LEU 11 Ca -0.12 0.23 -0.08 0.00 0.69 0.00 0.00 54.13 54.85 1xgq s LEU 11 Cb -0.07 0.12 -0.03 0.00 -0.43 0.00 0.00 46.19 45.78 1xgq s LEU 11 CO 0.00 -0.23 0.09 -0.44 -0.29 0.00 0.00 176.35 175.48 1xgq s SER 12 N 2.09 5.32 0.19 3.68 0.01 -1.26 -0.08 113.70 123.66 1xgq s SER 12 Ca 0.02 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1xgq s SER 12 Cb -0.12 -1.96 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 1xgq s SER 12 CO -0.05 -0.01 0.08 0.68 0.41 0.00 0.00 173.24 174.35 1xgq s VAL 13 N 1.51 0.28 -0.14 3.43 -7.23 -0.34 -4.69 120.40 113.22 1xgq s VAL 13 Ca 0.06 -1.97 -0.06 0.00 -1.81 0.00 0.00 61.98 58.19 1xgq s VAL 13 Cb -0.15 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 1xgq s VAL 13 CO 0.05 -0.19 0.08 -0.89 -0.31 0.00 0.00 175.10 173.83 1xgq s THR 14 N -3.94 4.99 0.15 5.32 2.01 -1.26 -1.02 115.64 121.88 1xgq s THR 14 Ca 0.32 0.02 -0.34 0.00 0.31 0.00 0.00 61.69 62.01 1xgq s THR 14 Cb 0.07 -3.19 -0.15 0.00 0.01 0.00 0.00 72.50 69.24 1xgq s THR 14 CO 0.09 0.55 1.36 -2.65 -0.69 0.00 0.00 174.62 173.28 1xgq n PRO 15 N 2.60 1.52 0.00 4.92 -0.02 -1.26 -0.93 135.00 141.83 1xgq n PRO 15 Ca -0.18 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1xgq n PRO 15 Cb 0.54 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1xgq n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xgq n GLY 16 N 2.52 2.27 3.85 -1.23 0.00 0.84 -4.95 105.19 108.50 1xgq n GLY 16 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1xgq n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xgq s ASP 17 N -1.12 6.48 0.19 1.61 1.01 -0.11 -4.38 116.67 120.35 1xgq s ASP 17 Ca 0.00 1.48 0.05 0.00 0.71 0.00 0.00 52.55 54.79 1xgq s ASP 17 Cb 0.00 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 1xgq s ASP 17 CO 0.00 -0.67 0.21 -0.44 0.21 0.00 0.00 175.17 174.48 1xgq s SER 18 N -3.46 5.81 0.12 0.27 0.01 -1.26 0.14 113.70 115.33 1xgq s SER 18 Ca 0.57 -0.07 -0.11 0.00 1.31 0.00 0.00 55.95 57.65 1xgq s SER 18 Cb -0.10 -1.59 0.01 0.00 0.21 0.00 0.00 66.02 64.54 1xgq s SER 18 CO 0.39 0.02 0.30 0.54 0.41 0.00 0.00 173.24 174.90 1xgq s VAL 19 N -1.87 0.10 -0.06 3.43 0.11 -0.63 -4.87 120.40 116.61 1xgq s VAL 19 Ca 0.33 -1.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.35 1xgq s VAL 19 Cb -0.10 -1.43 0.02 0.00 -1.53 0.00 0.00 36.38 33.35 1xgq s VAL 19 CO 0.26 -0.44 -0.04 -0.44 -3.33 0.00 0.00 175.10 171.11 1xgq s SER 20 N -2.87 1.23 -0.10 3.54 0.01 -1.26 -1.37 113.70 112.88 1xgq s SER 20 Ca 0.08 -0.14 -0.01 0.00 1.31 0.00 0.00 55.95 57.18 1xgq s SER 20 Cb 0.03 -0.50 -0.03 0.00 0.21 0.00 0.00 66.02 65.73 1xgq s SER 20 CO -0.08 -0.08 -0.04 -0.76 0.41 0.00 0.00 173.24 172.69 1xgq s LEU 21 N 1.18 3.30 0.01 2.44 1.43 0.93 -4.88 118.68 123.10 1xgq s LEU 21 Ca -0.07 -0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1xgq s LEU 21 Cb -0.14 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1xgq s LEU 21 CO -0.01 0.30 0.15 -0.55 0.23 0.00 0.00 176.35 176.46 1xgq s SER 22 N -0.42 6.08 -0.16 2.29 0.15 -0.75 -1.00 113.70 119.90 1xgq s SER 22 Ca 0.07 0.24 -0.04 0.00 0.70 0.00 0.00 55.95 56.91 1xgq s SER 22 Cb -0.12 -1.83 0.08 0.00 -1.71 0.00 0.00 66.02 62.43 1xgq s SER 22 CO 0.02 0.24 0.25 0.00 1.20 0.00 0.00 173.24 174.95 1xgq s ARG 24 N 2.39 2.65 -0.06 0.00 3.00 0.13 -1.57 118.95 125.50 1xgq s ARG 24 Ca 0.04 -0.60 -0.03 0.00 0.00 0.00 0.00 55.73 55.14 1xgq s ARG 24 Cb -0.13 -2.51 -0.04 0.00 0.00 0.00 0.00 34.95 32.27 1xgq s ARG 24 CO -0.10 0.65 0.08 0.00 0.00 0.00 0.00 175.30 175.93 1xgq s ALA 25 N -0.78 3.60 -0.73 2.13 0.00 -0.02 -0.18 121.76 125.77 1xgq s ALA 25 Ca 0.12 -0.79 0.22 0.00 0.00 0.00 0.00 51.96 51.52 1xgq s ALA 25 Cb -0.11 -1.67 0.89 0.00 0.00 0.00 0.00 23.12 22.23 1xgq s ALA 25 CO 0.01 0.65 1.69 -1.13 0.00 0.00 0.00 175.76 176.98 1xgq n SER 26 N 1.63 0.44 -3.97 0.00 3.41 -0.54 -4.73 113.62 109.85 1xgq n SER 26 Ca -0.16 0.58 -0.09 0.00 -0.26 0.00 0.00 58.87 58.94 1xgq n SER 26 Cb 0.54 -0.69 -0.10 0.00 -0.26 0.00 0.00 64.21 63.70 1xgq n SER 26 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1xgq s GLN 27 N -3.15 0.51 0.35 4.33 -0.21 -1.26 -4.99 119.66 115.24 1xgq s GLN 27 Ca 0.07 -0.79 -0.29 0.00 0.02 0.00 0.00 55.36 54.38 1xgq s GLN 27 Cb 0.11 0.19 -0.11 0.00 1.00 0.00 0.00 33.01 34.21 1xgq s GLN 27 CO 0.42 -0.11 1.38 0.45 -2.12 0.00 0.00 175.29 175.31 1xgq s SER 28 N -2.07 6.60 -0.03 5.90 0.15 -1.26 -4.68 113.70 118.31 1xgq s SER 28 Ca -0.06 2.83 0.05 0.00 0.70 0.00 0.00 55.95 59.47 1xgq s SER 28 Cb -0.02 -2.66 0.07 0.00 -1.71 0.00 0.00 66.02 61.70 1xgq s SER 28 CO -0.04 -0.68 0.98 2.30 1.20 0.00 0.00 173.24 177.00 1xgq n ILE 29 N 0.74 0.50 0.00 6.45 -5.35 0.95 -4.98 119.36 117.67 1xgq n ILE 29 Ca 0.01 -0.60 0.00 0.00 -0.27 0.00 0.00 62.75 61.89 1xgq n ILE 29 Cb 0.41 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 1xgq n ILE 29 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1xgq n SER 30 N -0.37 0.00 -0.49 7.28 7.64 -1.24 -1.17 113.62 125.27 1xgq n SER 30 Ca 0.04 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.96 1xgq n SER 30 Cb 0.64 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.96 1xgq n SER 30 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1xgq n ASN 31 N 8.22 2.68 -2.31 6.43 2.04 -1.26 -0.91 115.26 130.15 1xgq n ASN 31 Ca 0.00 -1.97 -0.19 0.00 -0.44 0.00 0.00 54.58 51.98 1xgq n ASN 31 Cb 0.00 -0.17 -0.13 0.00 -2.53 0.00 0.00 39.78 36.95 1xgq n ASN 31 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1xgq n ASN 32 N 0.30 6.05 -4.11 0.53 4.13 -0.32 -1.92 115.26 119.92 1xgq n ASN 32 Ca 0.09 -2.58 -0.28 0.00 1.68 0.00 0.00 54.58 53.49 1xgq n ASN 32 Cb 0.38 -1.43 -0.17 0.00 -1.54 0.00 0.00 39.78 37.03 1xgq n ASN 32 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1xgq s LEU 33 N -0.23 1.84 0.10 3.41 1.98 -1.26 -1.77 118.68 122.75 1xgq s LEU 33 Ca 0.66 -0.41 0.10 0.00 -2.89 0.00 0.00 54.13 51.60 1xgq s LEU 33 Cb 0.30 -1.07 -0.04 0.00 0.66 0.00 0.00 46.19 46.04 1xgq s LEU 33 CO -0.03 0.09 -0.26 -1.00 -1.89 0.00 0.00 176.35 173.26 1xgq s HIS 34 N 0.50 2.35 -0.15 5.38 3.76 0.16 0.18 115.29 127.47 1xgq s HIS 34 Ca -0.16 -0.37 -0.01 0.00 -0.15 0.00 0.00 55.06 54.36 1xgq s HIS 34 Cb -0.16 -1.31 -0.02 0.00 1.11 0.00 0.00 32.58 32.20 1xgq s HIS 34 CO 0.06 0.27 -0.10 -1.58 -0.85 0.00 0.00 174.74 172.54 1xgq s TRP 35 N -0.98 2.88 0.12 1.40 0.52 -0.32 -0.61 118.94 121.95 1xgq s TRP 35 Ca 0.14 -0.60 0.10 0.00 0.02 0.00 0.00 56.10 55.76 1xgq s TRP 35 Cb -0.10 -1.90 -0.04 0.00 -1.15 0.00 0.00 33.47 30.28 1xgq s TRP 35 CO 0.05 -0.21 -0.24 0.71 0.02 0.00 0.00 176.95 177.27 1xgq s TYR 36 N 0.48 2.37 -0.07 -1.98 2.02 0.11 -0.82 117.35 119.47 1xgq s TYR 36 Ca -0.07 -0.35 0.05 0.00 -0.37 0.00 0.00 57.07 56.33 1xgq s TYR 36 Cb -0.15 -1.28 -0.01 0.00 -0.40 0.00 0.00 41.96 40.12 1xgq s TYR 36 CO 0.04 0.34 -0.23 -1.14 -1.57 0.00 0.00 175.55 172.99 1xgq s GLN 37 N -2.05 2.53 -0.12 -0.62 0.74 -0.02 -1.15 119.66 118.97 1xgq s GLN 37 Ca 0.15 -0.83 -0.04 0.00 0.05 0.00 0.00 55.36 54.69 1xgq s GLN 37 Cb -0.10 -2.07 0.05 0.00 1.10 0.00 0.00 33.01 31.98 1xgq s GLN 37 CO 0.07 0.29 0.07 -1.14 -0.55 0.00 0.00 175.29 174.03 1xgq s GLN 38 N 0.03 0.12 0.44 1.67 0.74 -0.11 0.62 119.66 123.17 1xgq s GLN 38 Ca -0.08 0.05 0.00 0.00 0.05 0.00 0.00 55.36 55.38 1xgq s GLN 38 Cb -0.15 -1.36 -0.01 0.00 1.10 0.00 0.00 33.01 32.60 1xgq s GLN 38 CO 0.05 -0.53 0.66 0.15 -0.55 0.00 0.00 175.29 175.07 1xgq s LYS 39 N 2.11 3.11 0.24 1.67 1.02 -1.26 -1.22 119.74 125.40 1xgq s LYS 39 Ca 0.03 -0.46 -0.31 0.00 0.02 0.00 0.00 55.97 55.25 1xgq s LYS 39 Cb -0.15 -2.56 -0.14 0.00 -0.52 0.00 0.00 37.83 34.46 1xgq s LYS 39 CO -0.07 -0.23 1.22 -1.13 -0.92 0.00 0.00 175.35 174.22 1xgq n SER 40 N -2.06 1.92 -1.66 2.83 3.41 -1.26 -1.61 113.62 115.20 1xgq n SER 40 Ca 0.01 1.16 -0.21 0.00 -0.26 0.00 0.00 58.87 59.57 1xgq n SER 40 Cb 0.57 -1.33 -0.08 0.00 -0.26 0.00 0.00 64.21 63.12 1xgq n SER 40 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xgq n HIS 41 N 1.24 -0.08 -4.28 7.33 8.25 -1.26 -4.97 115.22 121.45 1xgq n HIS 41 Ca 0.12 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.42 1xgq n HIS 41 Cb 0.30 -3.51 -0.10 0.00 1.12 0.00 0.00 29.99 27.79 1xgq n HIS 41 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1xgq s GLU 42 N -3.85 1.17 0.61 -0.41 2.02 -0.63 -5.15 118.70 112.45 1xgq s GLU 42 Ca 0.00 -1.52 -0.10 0.00 0.02 0.00 0.00 54.97 53.37 1xgq s GLU 42 Cb 0.00 -0.70 -0.03 0.00 0.10 0.00 0.00 34.13 33.50 1xgq s GLU 42 CO 0.00 0.05 0.99 -1.12 0.02 0.00 0.00 175.26 175.20 1xgq s SER 43 N -3.22 6.07 0.57 -0.19 0.01 -1.26 -4.52 113.70 111.15 1xgq s SER 43 Ca 0.20 1.25 -0.20 0.00 1.31 0.00 0.00 55.95 58.51 1xgq s SER 43 Cb 0.03 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 1xgq s SER 43 CO 0.03 -0.91 1.20 -2.84 0.41 0.00 0.00 173.24 171.14 1xgq s PRO 44 N -5.12 3.13 -0.07 12.44 0.02 -1.26 -4.59 135.00 139.55 1xgq s PRO 44 Ca 0.54 1.82 0.03 0.00 0.02 0.00 0.00 61.00 63.41 1xgq s PRO 44 Cb -0.11 -2.02 0.01 0.00 0.02 0.00 0.00 34.50 32.40 1xgq s PRO 44 CO 0.52 -1.07 -0.16 0.50 -0.33 0.00 0.00 177.00 176.45 1xgq s ARG 45 N -3.22 2.07 0.01 5.54 3.52 0.20 -4.93 118.95 122.14 1xgq s ARG 45 Ca 0.75 -0.56 -0.30 0.00 -0.13 0.00 0.00 55.73 55.49 1xgq s ARG 45 Cb -0.30 -1.66 -0.05 0.00 -1.56 0.00 0.00 34.95 31.38 1xgq s ARG 45 CO 0.33 0.09 1.25 -1.17 -0.81 0.00 0.00 175.30 175.00 1xgq s LEU 46 N 0.52 4.32 -0.16 -0.88 2.96 -1.26 -0.84 118.68 123.34 1xgq s LEU 46 Ca -0.15 1.98 -0.03 0.00 -0.22 0.00 0.00 54.13 55.71 1xgq s LEU 46 Cb -0.16 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 42.87 1xgq s LEU 46 CO 0.05 -0.58 -0.17 0.18 -1.32 0.00 0.00 176.35 174.51 1xgq n LEU 47 N 4.74 2.22 -3.91 -0.68 4.77 0.00 -4.96 117.00 119.19 1xgq n LEU 47 Ca 0.11 0.04 -0.15 0.00 -0.03 0.00 0.00 56.01 55.98 1xgq n LEU 47 Cb 0.45 -0.52 -0.15 0.00 -2.33 0.00 0.00 43.42 40.88 1xgq n LEU 47 CO 0.56 0.58 -0.38 -0.63 -1.33 0.00 0.00 177.39 176.19 1xgq s ILE 48 N -2.31 0.23 0.16 -0.08 -1.09 -1.19 -4.14 121.20 112.78 1xgq s ILE 48 Ca -0.22 -0.10 0.11 0.00 -2.23 0.00 0.00 60.65 58.21 1xgq s ILE 48 Cb 0.07 -0.22 -0.04 0.00 -1.58 0.00 0.00 42.46 40.69 1xgq s ILE 48 CO 0.33 0.08 -0.25 -1.59 -1.23 0.00 0.00 174.94 172.28 1xgq s LYS 49 N 0.10 1.44 -1.23 2.79 -2.85 -0.67 -1.18 119.74 118.14 1xgq s LYS 49 Ca -0.01 -1.42 -0.15 0.00 -1.00 0.00 0.00 55.97 53.39 1xgq s LYS 49 Cb -0.03 -1.85 -0.00 0.00 -2.06 0.00 0.00 37.83 33.88 1xgq s LYS 49 CO -0.00 0.42 0.67 0.66 0.10 0.00 0.00 175.35 177.20 1xgq n TYR 50 N 0.63 -1.80 0.00 1.78 4.01 -1.14 -0.99 117.16 119.66 1xgq n TYR 50 Ca -0.16 0.53 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 1xgq n TYR 50 Cb 0.54 -3.53 0.00 0.00 -0.31 0.00 0.00 39.34 36.04 1xgq n TYR 50 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1xgq n ALA 51 N -4.31 0.00 -1.28 -0.72 0.00 0.13 -3.70 120.51 110.62 1xgq n ALA 51 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1xgq n ALA 51 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1xgq n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xgq n SER 52 N 0.37 0.00 -4.71 0.00 3.41 -1.20 -2.65 113.62 108.84 1xgq n SER 52 Ca 0.00 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.19 1xgq n SER 52 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1xgq n SER 52 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1xgq s GLN 53 N 0.00 4.56 0.41 4.33 -0.21 -0.16 -4.65 119.66 123.94 1xgq s GLN 53 Ca 0.00 1.47 -0.12 0.00 0.02 0.00 0.00 55.36 56.73 1xgq s GLN 53 Cb 0.00 -3.44 -0.07 0.00 1.00 0.00 0.00 33.01 30.50 1xgq s GLN 53 CO 0.00 -0.05 0.79 -1.54 -2.12 0.00 0.00 175.29 172.37 1xgq s SER 54 N 0.92 6.56 -0.21 5.90 1.04 -1.26 -1.67 113.70 124.97 1xgq s SER 54 Ca 0.52 1.20 -0.06 0.00 0.48 0.00 0.00 55.95 58.10 1xgq s SER 54 Cb -0.22 -2.35 -0.03 0.00 0.10 0.00 0.00 66.02 63.52 1xgq s SER 54 CO 0.28 -0.40 0.01 -0.63 0.98 0.00 0.00 173.24 173.49 1xgq s ILE 55 N -2.36 4.05 0.04 -1.02 -1.09 -1.26 -4.91 121.20 114.65 1xgq s ILE 55 Ca 0.52 -0.28 -0.34 0.00 -2.23 0.00 0.00 60.65 58.33 1xgq s ILE 55 Cb -0.10 -2.84 -0.12 0.00 -1.58 0.00 0.00 42.46 37.81 1xgq s ILE 55 CO 0.30 0.41 1.76 -0.24 -1.23 0.00 0.00 174.94 175.95 1xgq n SER 56 N 4.33 3.42 0.00 3.58 2.88 -1.26 -1.15 113.62 125.43 1xgq n SER 56 Ca -0.17 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.38 1xgq n SER 56 Cb 0.52 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 1xgq n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xgq n GLY 57 N 4.01 0.80 3.78 0.46 0.00 -1.26 -5.08 105.19 107.91 1xgq n GLY 57 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1xgq n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xgq s ILE 58 N -2.04 5.29 0.32 -0.61 -1.09 -0.30 -5.04 121.20 117.75 1xgq s ILE 58 Ca 0.00 0.53 -0.26 0.00 -2.23 0.00 0.00 60.65 58.68 1xgq s ILE 58 Cb 0.00 -3.59 -0.14 0.00 -1.58 0.00 0.00 42.46 37.15 1xgq s ILE 58 CO 0.00 0.48 0.86 -2.65 -1.23 0.00 0.00 174.94 172.40 1xgq n PRO 59 N 2.88 1.04 0.23 2.79 -0.02 -1.26 -4.86 135.00 135.79 1xgq n PRO 59 Ca -0.14 0.37 0.16 0.00 -2.02 0.00 0.00 63.50 61.87 1xgq n PRO 59 Cb 0.53 -1.71 0.73 0.00 -0.02 0.00 0.00 33.50 33.03 1xgq n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xgq h SER 60 N 1.58 0.00 0.53 2.55 4.64 -1.97 -2.82 113.55 118.06 1xgq h SER 60 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1xgq h SER 60 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 1xgq h SER 60 CO 0.58 0.00 0.00 0.08 -0.87 0.00 0.00 176.83 176.62 1xgq h ARG 61 N 0.00 0.00 -5.89 4.77 0.11 -1.89 -3.42 114.38 108.07 1xgq h ARG 61 Ca 0.00 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.50 1xgq h ARG 61 Cb 0.25 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.27 1xgq h ARG 61 CO 0.00 0.00 -0.09 -0.06 0.10 0.00 0.00 179.97 179.92 1xgq s PHE 62 N -3.70 3.59 0.08 4.08 0.08 -1.07 -0.59 117.98 120.45 1xgq s PHE 62 Ca -0.00 1.02 -0.15 0.00 0.12 0.00 0.00 56.93 57.92 1xgq s PHE 62 Cb 0.10 -2.57 0.03 0.00 -0.57 0.00 0.00 43.02 40.00 1xgq s PHE 62 CO 0.42 0.26 0.35 -1.54 -0.10 0.00 0.00 175.22 174.61 1xgq s SER 63 N 0.26 -0.17 0.07 1.36 1.04 -0.44 -4.99 113.70 110.83 1xgq s SER 63 Ca 0.28 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.51 1xgq s SER 63 Cb -0.16 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 1xgq s SER 63 CO 0.13 -0.72 -0.12 -0.83 0.98 0.00 0.00 173.24 172.68 1xgq s GLY 64 N -2.40 0.79 0.25 7.32 0.00 -1.26 -0.23 107.32 111.79 1xgq s GLY 64 Ca -0.01 -0.98 -0.07 0.00 0.00 0.00 0.00 44.72 43.66 1xgq s GLY 64 CO -0.07 -1.02 0.36 -1.35 0.00 0.00 0.00 173.10 171.02 1xgq s SER 65 N -1.81 0.16 0.00 1.64 1.04 -0.29 -4.20 113.70 110.24 1xgq s SER 65 Ca -0.03 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.23 1xgq s SER 65 Cb -0.09 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1xgq s SER 65 CO 0.02 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.78 1xgq n GLY 66 N -0.37 1.64 3.56 7.32 0.00 -1.26 -1.26 105.19 114.81 1xgq n GLY 66 Ca 0.00 -2.11 -0.07 0.00 0.00 0.00 0.00 46.02 43.84 1xgq n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xgq s SER 67 N 0.00 -0.25 0.00 1.61 1.04 -0.88 -4.87 113.70 110.34 1xgq s SER 67 Ca 0.00 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1xgq s SER 67 Cb 0.00 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.38 1xgq s SER 67 CO 0.00 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 174.43 1xgq n GLY 68 N -0.04 2.15 0.00 7.32 0.00 -0.08 -3.25 105.19 111.29 1xgq n GLY 68 Ca -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1xgq n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xgq n THR 69 N 0.00 0.00 -4.32 2.61 -2.24 -1.26 -0.04 114.28 109.03 1xgq n THR 69 Ca 0.00 -0.29 -0.33 0.00 -2.27 0.00 0.00 64.05 61.16 1xgq n THR 69 Cb 0.00 1.18 -0.16 0.00 -2.10 0.00 0.00 70.33 69.26 1xgq n THR 69 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xgq s ASP 70 N -0.33 3.49 0.08 3.42 2.15 -1.20 -0.84 116.67 123.44 1xgq s ASP 70 Ca 0.00 -0.54 0.03 0.00 0.43 0.00 0.00 52.55 52.47 1xgq s ASP 70 Cb 0.00 -1.54 -0.03 0.00 -0.30 0.00 0.00 42.92 41.04 1xgq s ASP 70 CO 0.00 0.04 -0.09 -0.36 -0.17 0.00 0.00 175.17 174.59 1xgq s PHE 71 N 1.07 0.93 -0.01 -5.34 0.40 -0.61 -2.07 117.98 112.35 1xgq s PHE 71 Ca -0.01 -0.63 0.00 0.00 -0.60 0.00 0.00 56.93 55.70 1xgq s PHE 71 Cb -0.14 -0.52 0.02 0.00 0.51 0.00 0.00 43.02 42.88 1xgq s PHE 71 CO -0.05 -0.05 0.01 0.99 0.70 0.00 0.00 175.22 176.82 1xgq s THR 72 N -2.19 0.03 -0.20 0.64 2.01 -0.39 -2.03 115.64 113.51 1xgq s THR 72 Ca 0.01 0.10 -0.06 0.00 0.31 0.00 0.00 61.69 62.05 1xgq s THR 72 Cb -0.04 -0.11 -0.03 0.00 0.01 0.00 0.00 72.50 72.33 1xgq s THR 72 CO -0.00 0.07 0.02 -0.22 -0.69 0.00 0.00 174.62 173.80 1xgq s LEU 73 N 0.64 3.40 -0.03 4.42 2.96 -0.17 -1.14 118.68 128.77 1xgq s LEU 73 Ca -0.06 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 1xgq s LEU 73 Cb -0.08 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 1xgq s LEU 73 CO -0.02 0.09 -0.17 -0.44 -1.32 0.00 0.00 176.35 174.49 1xgq s SER 74 N 0.86 3.79 -0.24 3.68 0.01 0.68 -0.05 113.70 122.43 1xgq s SER 74 Ca 0.02 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 56.99 1xgq s SER 74 Cb -0.14 -0.70 0.06 0.00 0.21 0.00 0.00 66.02 65.45 1xgq s SER 74 CO 0.02 0.32 -0.04 -0.63 0.41 0.00 0.00 173.24 173.32 1xgq s ILE 75 N -0.75 1.51 -0.48 1.44 1.01 -0.47 -1.32 121.20 122.14 1xgq s ILE 75 Ca 0.12 -1.25 -0.29 0.00 0.00 0.00 0.00 60.65 59.23 1xgq s ILE 75 Cb -0.10 -1.80 0.02 0.00 0.01 0.00 0.00 42.46 40.58 1xgq s ILE 75 CO 0.01 -0.14 1.24 0.21 0.00 0.00 0.00 174.94 176.27 1xgq s ASN 76 N 1.40 6.48 -0.32 3.58 2.47 0.24 -1.60 114.94 127.20 1xgq s ASN 76 Ca -0.05 0.49 -0.02 0.00 0.42 0.00 0.00 52.86 53.70 1xgq s ASN 76 Cb -0.19 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.07 1xgq s ASN 76 CO -0.07 -1.38 0.08 -1.20 -3.72 0.00 0.00 177.10 170.82 1xgq n SER 77 N 8.34 -7.93 -4.77 -4.21 7.64 -1.16 -4.77 113.62 106.76 1xgq n SER 77 Ca 0.13 1.29 -0.40 0.00 1.01 0.00 0.00 58.87 60.90 1xgq n SER 77 Cb 0.49 -5.28 0.00 0.00 -1.01 0.00 0.00 64.21 58.41 1xgq n SER 77 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1xgq s VAL 78 N -1.74 2.21 0.23 0.44 1.01 0.37 -4.64 120.40 118.28 1xgq s VAL 78 Ca 0.03 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.30 1xgq s VAL 78 Cb -0.01 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 1xgq s VAL 78 CO 0.77 0.04 0.02 -1.61 0.00 0.00 0.00 175.10 174.32 1xgq s GLU 79 N -2.20 2.40 0.50 2.72 0.41 -1.26 -0.11 118.70 121.15 1xgq s GLU 79 Ca 0.56 -1.25 0.32 0.00 -0.41 0.00 0.00 54.97 54.19 1xgq s GLU 79 Cb -0.44 -2.28 1.44 0.00 -1.78 0.00 0.00 34.13 31.07 1xgq s GLU 79 CO 0.58 0.41 1.76 0.00 -0.49 0.00 0.00 175.26 177.51 1xgq h THR 80 N 2.09 0.38 -0.12 3.63 1.03 -1.96 0.39 112.91 118.36 1xgq h THR 80 Ca -0.46 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 65.90 1xgq h THR 80 Cb 1.23 0.26 0.00 0.00 -1.07 0.00 0.00 68.15 68.57 1xgq h THR 80 CO 0.59 0.02 0.00 -1.84 -0.01 0.00 0.00 175.52 174.28 1xgq n GLU 81 N -4.33 1.55 -0.00 0.00 0.00 -1.26 -4.02 120.64 112.58 1xgq n GLU 81 Ca 0.28 -0.82 0.14 0.00 0.00 0.00 0.00 57.16 56.75 1xgq n GLU 81 Cb 1.22 -1.37 0.45 0.00 0.00 0.00 0.00 31.44 31.74 1xgq n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1xgq n ASP 82 N 0.04 1.75 -4.74 -1.84 8.00 0.14 -4.95 116.55 114.95 1xgq n ASP 82 Ca 0.16 -1.59 -0.40 0.00 0.71 0.00 0.00 54.79 53.67 1xgq n ASP 82 Cb 0.27 -0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.31 1xgq n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1xgq s PHE 83 N -1.99 3.89 -5.00 1.24 0.40 -1.26 -4.91 117.98 110.35 1xgq s PHE 83 Ca 0.36 1.81 0.00 0.00 -0.60 0.00 0.00 56.93 58.51 1xgq s PHE 83 Cb 0.21 -2.98 0.00 0.00 0.51 0.00 0.00 43.02 40.76 1xgq s PHE 83 CO 0.33 0.35 0.00 0.41 0.70 0.00 0.00 175.22 177.01 1xgq n GLY 84 N 1.86 -0.22 3.89 4.36 0.00 -0.81 -4.77 105.19 109.49 1xgq n GLY 84 Ca -0.01 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 1xgq n GLY 84 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xgq s MET 85 N -2.00 3.68 -0.07 1.61 -1.94 -0.36 -0.09 119.30 120.13 1xgq s MET 85 Ca 0.00 0.03 0.00 0.00 -1.71 0.00 0.00 55.69 54.01 1xgq s MET 85 Cb 0.00 -2.82 0.02 0.00 2.01 0.00 0.00 34.83 34.04 1xgq s MET 85 CO 0.00 0.45 -0.05 0.71 -0.01 0.00 0.00 175.02 176.12 1xgq s TYR 86 N -1.66 0.98 0.12 -0.03 1.51 -0.17 -0.94 117.35 117.16 1xgq s TYR 86 Ca 0.41 -0.35 0.08 0.00 -1.01 0.00 0.00 57.07 56.20 1xgq s TYR 86 Cb -0.12 -0.87 -0.04 0.00 -0.11 0.00 0.00 41.96 40.82 1xgq s TYR 86 CO 0.23 -0.31 -0.20 -0.06 -1.11 0.00 0.00 175.55 174.11 1xgq s PHE 87 N 1.32 1.75 0.13 2.71 0.40 -0.30 -0.63 117.98 123.36 1xgq s PHE 87 Ca -0.04 -0.44 0.07 0.00 -0.60 0.00 0.00 56.93 55.93 1xgq s PHE 87 Cb -0.14 -0.94 -0.04 0.00 0.51 0.00 0.00 43.02 42.41 1xgq s PHE 87 CO -0.02 0.22 -0.07 0.00 0.70 0.00 0.00 175.22 176.05 1xgq s GLN 89 N -2.48 0.08 -0.01 0.00 0.74 0.22 -0.79 119.66 117.41 1xgq s GLN 89 Ca 0.24 0.14 0.01 0.00 0.05 0.00 0.00 55.36 55.79 1xgq s GLN 89 Cb -0.10 -0.01 -0.04 0.00 1.10 0.00 0.00 33.01 33.96 1xgq s GLN 89 CO 0.15 -0.04 0.02 1.14 -0.55 0.00 0.00 175.29 176.01 1xgq s GLN 90 N 0.25 2.87 -0.11 1.67 1.03 -0.62 0.39 119.66 125.15 1xgq s GLN 90 Ca -0.02 -0.56 0.14 0.00 0.04 0.00 0.00 55.36 54.96 1xgq s GLN 90 Cb -0.03 -2.72 0.27 0.00 0.03 0.00 0.00 33.01 30.56 1xgq s GLN 90 CO -0.01 0.64 1.14 -1.13 -2.54 0.00 0.00 175.29 173.39 1xgq n SER 91 N 1.43 1.56 0.09 12.60 3.41 -0.73 -3.29 113.62 128.68 1xgq n SER 91 Ca -0.15 -2.92 -0.12 0.00 -0.26 0.00 0.00 58.87 55.42 1xgq n SER 91 Cb 0.53 -0.39 -0.08 0.00 -0.26 0.00 0.00 64.21 64.01 1xgq n SER 91 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1xgq h ASN 92 N 0.33 0.32 -4.67 4.04 -0.73 -1.89 -3.46 115.58 109.53 1xgq h ASN 92 Ca -0.02 -0.30 -0.17 0.00 1.87 0.00 0.00 56.30 57.67 1xgq h ASN 92 Cb 1.18 -0.10 -0.23 0.00 0.27 0.00 0.00 38.32 39.45 1xgq h ASN 92 CO 0.01 1.16 -0.63 -0.44 -0.37 0.00 0.00 177.43 177.16 1xgq s SER 93 N -7.00 0.11 -0.03 1.15 0.01 -1.26 -5.14 113.70 101.54 1xgq s SER 93 Ca -0.03 -0.26 -0.17 0.00 1.31 0.00 0.00 55.95 56.80 1xgq s SER 93 Cb 0.09 0.13 -0.05 0.00 0.21 0.00 0.00 66.02 66.40 1xgq s SER 93 CO 0.85 -0.25 0.45 0.86 0.41 0.00 0.00 173.24 175.57 1xgq s TRP 94 N -1.06 3.67 0.42 2.43 -0.11 -1.26 -3.32 118.94 119.71 1xgq s TRP 94 Ca -0.12 1.00 -0.23 0.00 1.22 0.00 0.00 56.10 57.98 1xgq s TRP 94 Cb -0.07 -2.40 -0.09 0.00 -1.50 0.00 0.00 33.47 29.41 1xgq s TRP 94 CO -0.00 0.48 1.03 -1.25 -4.62 0.00 0.00 176.95 172.60 1xgq s PRO 95 N -0.54 4.10 0.55 5.86 0.04 -1.26 -5.02 135.00 138.72 1xgq s PRO 95 Ca 0.25 1.44 -0.20 0.00 0.04 0.00 0.00 61.00 62.53 1xgq s PRO 95 Cb -0.17 -2.41 -0.05 0.00 0.04 0.00 0.00 34.50 31.91 1xgq s PRO 95 CO 0.13 -0.19 1.22 0.71 0.04 0.00 0.00 177.00 178.92 1xgq s TYR 96 N -1.78 2.49 0.04 0.56 4.12 -1.21 -4.75 117.35 116.82 1xgq s TYR 96 Ca 0.60 1.49 -0.02 0.00 0.02 0.00 0.00 57.07 59.17 1xgq s TYR 96 Cb -0.19 -3.51 -0.03 0.00 -1.52 0.00 0.00 41.96 36.71 1xgq s TYR 96 CO 0.24 -2.16 0.00 0.95 0.02 0.00 0.00 175.55 174.60 1xgq s THR 97 N -1.53 0.16 0.11 -0.71 -4.23 -1.21 -5.00 115.64 103.23 1xgq s THR 97 Ca 0.73 -1.31 0.07 0.00 -1.18 0.00 0.00 61.69 60.01 1xgq s THR 97 Cb -0.32 -0.91 -0.04 0.00 1.34 0.00 0.00 72.50 72.57 1xgq s THR 97 CO 0.36 -0.72 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.24 1xgq s PHE 98 N -2.72 2.70 0.86 3.99 0.40 -1.26 -1.59 117.98 120.36 1xgq s PHE 98 Ca -0.04 -0.18 -0.12 0.00 -0.60 0.00 0.00 56.93 55.99 1xgq s PHE 98 Cb -0.01 -1.41 0.11 0.00 0.51 0.00 0.00 43.02 42.22 1xgq s PHE 98 CO -0.05 0.42 1.17 0.20 0.70 0.00 0.00 175.22 177.66 1xgq s GLY 99 N -2.23 1.59 0.04 4.36 0.00 0.03 -4.56 107.32 106.56 1xgq s GLY 99 Ca 0.21 -0.63 0.18 0.00 0.00 0.00 0.00 44.72 44.48 1xgq s GLY 99 CO 0.13 -0.09 1.56 0.61 0.00 0.00 0.00 173.10 175.31 1xgq n GLY 100 N -2.86 -1.11 0.00 0.20 0.00 -1.25 -4.69 105.19 95.48 1xgq n GLY 100 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1xgq n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xgq n GLY 101 N 0.19 -0.93 3.11 -0.02 0.00 -1.26 -5.02 105.19 101.26 1xgq n GLY 101 Ca 0.04 -1.53 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 1xgq n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xgq s THR 102 N -3.15 1.49 -0.22 2.61 2.01 0.20 -4.74 115.64 113.83 1xgq s THR 102 Ca 0.00 -0.70 -0.18 0.00 0.31 0.00 0.00 61.69 61.13 1xgq s THR 102 Cb 0.00 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 1xgq s THR 102 CO 0.00 0.43 0.50 -0.75 -0.69 0.00 0.00 174.62 174.12 1xgq s LYS 103 N 0.46 4.14 -0.39 4.92 2.47 -0.06 -1.00 119.74 130.28 1xgq s LYS 103 Ca -0.14 0.36 -0.16 0.00 -1.56 0.00 0.00 55.97 54.46 1xgq s LYS 103 Cb -0.16 -3.59 0.01 0.00 -1.46 0.00 0.00 37.83 32.63 1xgq s LYS 103 CO 0.05 -0.21 0.38 -1.17 0.16 0.00 0.00 175.35 174.56 1xgq s LEU 104 N 1.84 4.76 0.32 5.43 0.20 0.87 0.02 118.68 132.12 1xgq s LEU 104 Ca 0.22 -0.57 0.10 0.00 0.69 0.00 0.00 54.13 54.58 1xgq s LEU 104 Cb -0.15 -2.31 -0.06 0.00 -0.43 0.00 0.00 46.19 43.23 1xgq s LEU 104 CO 0.09 -0.46 -0.13 -1.61 -0.29 0.00 0.00 176.35 173.95 1xgq s GLU 105 N 1.99 1.77 -0.02 1.98 2.02 0.88 -1.93 118.70 125.40 1xgq s GLU 105 Ca 0.10 -1.88 -0.29 0.00 0.02 0.00 0.00 54.97 52.93 1xgq s GLU 105 Cb -0.17 -1.73 -0.03 0.00 0.10 0.00 0.00 34.13 32.30 1xgq s GLU 105 CO 0.12 0.21 0.92 0.42 0.02 0.00 0.00 175.26 176.95 1xgq s ILE 106 N -2.57 4.90 0.10 -1.63 1.01 -1.26 -1.20 121.20 120.55 1xgq s ILE 106 Ca 0.32 1.93 -0.23 0.00 0.00 0.00 0.00 60.65 62.66 1xgq s ILE 106 Cb -0.00 -4.26 -0.07 0.00 0.01 0.00 0.00 42.46 38.14 1xgq s ILE 106 CO 0.16 0.17 0.71 -0.75 0.00 0.00 0.00 174.94 175.23 1xgq s LYS 107 N 1.00 4.44 0.35 2.79 2.47 -0.19 -4.75 119.74 125.84 1xgq s LYS 107 Ca 0.49 0.99 -0.13 0.00 -1.56 0.00 0.00 55.97 55.76 1xgq s LYS 107 Cb -0.20 -3.29 0.03 0.00 -1.46 0.00 0.00 37.83 32.91 1xgq s LYS 107 CO 0.26 0.51 0.67 -0.98 0.16 0.00 0.00 175.35 175.96 1xgq s ARG 108 N -0.81 2.02 0.36 4.03 1.70 -1.26 -4.76 118.95 120.22 1xgq s ARG 108 Ca 0.34 -1.43 -0.28 0.00 -0.47 0.00 0.00 55.73 53.89 1xgq s ARG 108 Cb -0.21 0.56 -0.10 0.00 -0.57 0.00 0.00 34.95 34.64 1xgq s ARG 108 CO 0.23 -0.91 1.28 0.00 -1.08 0.00 0.00 175.30 174.82 1xgq s ALA 109 N -2.90 3.39 0.49 7.88 0.00 -1.26 -4.96 121.76 124.41 1xgq s ALA 109 Ca 0.19 1.21 -0.24 0.00 0.00 0.00 0.00 51.96 53.12 1xgq s ALA 109 Cb -0.04 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 1xgq s ALA 109 CO 0.13 -0.66 1.37 -0.25 0.00 0.00 0.00 175.76 176.35 1xgq n ASP 110 N 0.56 2.89 -3.74 0.00 9.92 -1.26 -4.78 116.55 120.14 1xgq n ASP 110 Ca 0.01 1.05 -0.13 0.00 -0.53 0.00 0.00 54.79 55.20 1xgq n ASP 110 Cb 0.43 -1.57 -0.13 0.00 -0.64 0.00 0.00 41.12 39.20 1xgq n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xgq s ALA 111 N -1.24 -0.49 0.50 2.24 0.00 0.81 -4.89 121.76 118.69 1xgq s ALA 111 Ca 0.66 0.90 -0.21 0.00 0.00 0.00 0.00 51.96 53.31 1xgq s ALA 111 Cb -0.44 -0.57 -0.07 0.00 0.00 0.00 0.00 23.12 22.03 1xgq s ALA 111 CO 0.54 -0.18 1.12 0.00 0.00 0.00 0.00 175.76 177.24 1xgq s ALA 112 N 1.17 2.83 0.40 0.00 0.00 -1.26 -0.74 121.76 124.16 1xgq s ALA 112 Ca -0.09 0.82 -0.23 0.00 0.00 0.00 0.00 51.96 52.46 1xgq s ALA 112 Cb -0.10 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 1xgq s ALA 112 CO -0.07 -0.64 1.01 -1.25 0.00 0.00 0.00 175.76 174.81 1xgq s PRO 113 N -3.04 4.21 -0.40 0.00 0.04 -1.26 -4.46 135.00 130.09 1xgq s PRO 113 Ca 0.68 1.38 -0.18 0.00 0.04 0.00 0.00 61.00 62.92 1xgq s PRO 113 Cb -0.24 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 31.85 1xgq s PRO 113 CO 0.28 -0.08 0.50 0.99 0.04 0.00 0.00 177.00 178.74 1xgq s THR 114 N -1.80 5.01 -0.12 1.26 2.01 -0.22 -4.85 115.64 116.93 1xgq s THR 114 Ca 0.58 -0.02 -0.07 0.00 0.31 0.00 0.00 61.69 62.49 1xgq s THR 114 Cb -0.18 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 1xgq s THR 114 CO 0.23 -0.39 0.15 -0.69 -0.69 0.00 0.00 174.62 173.23 1xgq s VAL 115 N 2.37 5.49 -0.05 3.82 1.01 -1.26 -1.49 120.40 130.29 1xgq s VAL 115 Ca 0.16 0.23 -0.03 0.00 0.00 0.00 0.00 61.98 62.35 1xgq s VAL 115 Cb -0.16 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.83 1xgq s VAL 115 CO 0.15 0.61 0.11 -0.44 0.00 0.00 0.00 175.10 175.53 1xgq s SER 116 N -0.93 -0.08 0.08 3.32 0.01 -0.47 -4.98 113.70 110.66 1xgq s SER 116 Ca 0.15 0.23 0.06 0.00 1.31 0.00 0.00 55.95 57.70 1xgq s SER 116 Cb -0.12 0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.23 1xgq s SER 116 CO 0.04 -0.11 -0.10 -0.51 0.41 0.00 0.00 173.24 172.97 1xgq s ILE 117 N 0.79 3.37 -0.02 1.44 2.07 -1.26 -0.36 121.20 127.23 1xgq s ILE 117 Ca -0.06 -1.19 0.01 0.00 -1.41 0.00 0.00 60.65 58.00 1xgq s ILE 117 Cb -0.08 -2.55 0.01 0.00 0.13 0.00 0.00 42.46 39.97 1xgq s ILE 117 CO -0.04 0.17 -0.02 -0.36 -1.91 0.00 0.00 174.94 172.78 1xgq s PHE 118 N -1.16 0.35 0.80 3.50 0.40 0.25 -4.97 117.98 117.14 1xgq s PHE 118 Ca 0.20 -0.05 -0.11 0.00 -0.60 0.00 0.00 56.93 56.37 1xgq s PHE 118 Cb -0.11 -0.32 0.09 0.00 0.51 0.00 0.00 43.02 43.19 1xgq s PHE 118 CO 0.12 -0.07 1.15 -1.25 0.70 0.00 0.00 175.22 175.88 1xgq s PRO 119 N 0.41 1.87 0.46 0.24 0.04 -1.26 -1.35 135.00 135.41 1xgq s PRO 119 Ca -0.04 -0.06 -0.24 0.00 0.04 0.00 0.00 61.00 60.70 1xgq s PRO 119 Cb -0.07 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1xgq s PRO 119 CO -0.01 -1.59 1.27 -2.14 0.04 0.00 0.00 177.00 174.57 1xgq s PRO 120 N -5.52 3.66 0.65 0.56 0.02 -1.20 -4.78 135.00 128.39 1xgq s PRO 120 Ca 0.63 2.06 -0.12 0.00 0.02 0.00 0.00 61.00 63.59 1xgq s PRO 120 Cb -0.10 -2.50 -0.02 0.00 0.02 0.00 0.00 34.50 31.90 1xgq s PRO 120 CO 0.48 -0.71 1.04 -1.54 -0.33 0.00 0.00 177.00 175.94 1xgq s SER 121 N -1.00 5.83 0.34 2.53 1.04 -1.26 -4.91 113.70 116.26 1xgq s SER 121 Ca 0.63 1.55 0.02 0.00 0.48 0.00 0.00 55.95 58.63 1xgq s SER 121 Cb -0.36 -2.49 0.61 0.00 0.10 0.00 0.00 66.02 63.88 1xgq s SER 121 CO 0.44 -1.14 1.98 0.28 0.98 0.00 0.00 173.24 175.78 1xgq h SER 122 N -0.36 0.72 -0.13 7.02 0.02 -1.99 -2.26 113.55 116.56 1xgq h SER 122 Ca -0.44 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1xgq h SER 122 Cb 1.20 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 1xgq h SER 122 CO 0.59 0.56 0.07 -0.33 -1.14 0.00 0.00 176.83 176.58 1xgq h GLU 123 N 0.83 0.19 -0.69 3.45 3.07 -1.99 -1.35 114.58 118.09 1xgq h GLU 123 Ca 0.22 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.02 1xgq h GLU 123 Cb -0.03 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.82 1xgq h GLU 123 CO -0.04 0.22 0.29 0.37 -1.40 0.00 0.00 179.01 178.45 1xgq h GLN 124 N 0.11 1.02 -0.34 2.33 4.15 -1.79 -2.13 115.11 118.45 1xgq h GLN 124 Ca 0.05 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 1xgq h GLN 124 Cb 0.09 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 1xgq h GLN 124 CO -0.01 0.84 0.15 -0.07 -1.93 0.00 0.00 178.83 177.81 1xgq h LEU 125 N 0.97 0.42 -1.04 -2.39 3.38 -1.22 -0.60 115.31 114.83 1xgq h LEU 125 Ca 0.23 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 1xgq h LEU 125 Cb 0.19 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1xgq h LEU 125 CO -0.02 0.38 -0.15 0.74 0.09 0.00 0.00 178.44 179.47 1xgq h THR 126 N 0.47 1.24 -0.04 0.22 2.02 -0.61 -1.64 112.91 114.57 1xgq h THR 126 Ca 0.12 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.22 1xgq h THR 126 Cb 0.08 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1xgq h THR 126 CO -0.01 0.35 0.00 -1.54 0.37 0.00 0.00 175.52 174.69 1xgq n SER 127 N -4.18 0.52 0.00 4.18 3.41 -0.37 -4.89 113.62 112.29 1xgq n SER 127 Ca 0.00 -1.42 0.00 0.00 -0.26 0.00 0.00 58.87 57.19 1xgq n SER 127 Cb 0.34 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1xgq n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xgq n GLY 128 N 0.94 0.71 3.76 5.00 0.00 -0.62 -5.06 105.19 109.93 1xgq n GLY 128 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 1xgq n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xgq s GLY 129 N -1.96 2.19 -0.30 -0.02 0.00 -0.40 -1.69 107.32 105.13 1xgq s GLY 129 Ca 0.00 -1.99 0.05 0.00 0.00 0.00 0.00 44.72 42.79 1xgq s GLY 129 CO 0.00 -1.83 0.56 0.00 0.00 0.00 0.00 173.10 171.83 1xgq s ALA 130 N -2.53 -2.16 -0.16 3.20 0.00 -0.56 -2.90 121.76 116.66 1xgq s ALA 130 Ca 0.42 0.79 -0.04 0.00 0.00 0.00 0.00 51.96 53.12 1xgq s ALA 130 Cb 0.01 -2.47 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 1xgq s ALA 130 CO 0.24 -1.86 -0.01 -1.12 0.00 0.00 0.00 175.76 173.00 1xgq s SER 131 N 2.65 5.00 -0.20 0.00 0.01 -1.26 -0.21 113.70 119.69 1xgq s SER 131 Ca 0.11 -0.07 -0.06 0.00 1.31 0.00 0.00 55.95 57.23 1xgq s SER 131 Cb -0.10 -1.81 -0.03 0.00 0.21 0.00 0.00 66.02 64.29 1xgq s SER 131 CO -0.24 0.18 0.03 -0.69 0.41 0.00 0.00 173.24 172.92 1xgq s VAL 132 N 0.31 4.24 -0.02 3.43 1.01 0.16 -3.24 120.40 126.30 1xgq s VAL 132 Ca -0.02 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1xgq s VAL 132 Cb -0.14 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1xgq s VAL 132 CO 0.02 0.42 -0.08 -0.69 0.00 0.00 0.00 175.10 174.77 1xgq s VAL 133 N 0.91 3.55 -0.07 2.92 1.01 -0.46 -0.61 120.40 127.66 1xgq s VAL 133 Ca 0.02 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 1xgq s VAL 133 Cb -0.14 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.76 1xgq s VAL 133 CO 0.02 0.46 -0.03 0.00 0.00 0.00 0.00 175.10 175.55 1xgq s PHE 135 N 1.51 3.14 -0.38 0.00 0.08 0.51 -0.70 117.98 122.15 1xgq s PHE 135 Ca -0.02 -0.00 0.03 0.00 0.12 0.00 0.00 56.93 57.06 1xgq s PHE 135 Cb -0.13 -1.93 0.11 0.00 -0.57 0.00 0.00 43.02 40.50 1xgq s PHE 135 CO -0.03 0.21 0.13 -0.51 -0.10 0.00 0.00 175.22 174.91 1xgq s LEU 136 N -0.11 3.83 0.09 -0.37 1.02 0.58 -1.37 118.68 122.35 1xgq s LEU 136 Ca 0.04 -2.26 0.04 0.00 0.02 0.00 0.00 54.13 51.97 1xgq s LEU 136 Cb -0.13 -1.38 -0.04 0.00 0.02 0.00 0.00 46.19 44.67 1xgq s LEU 136 CO 0.02 -0.34 0.04 0.20 0.02 0.00 0.00 176.35 176.28 1xgq s ASN 137 N 0.77 5.27 -1.21 2.29 0.01 -0.55 0.08 114.94 121.59 1xgq s ASN 137 Ca 0.13 -0.10 -0.19 0.00 -0.71 0.00 0.00 52.86 51.99 1xgq s ASN 137 Cb -0.21 -1.33 0.00 0.00 0.41 0.00 0.00 41.25 40.12 1xgq s ASN 137 CO -0.09 0.17 0.69 0.59 -1.51 0.00 0.00 177.10 176.95 1xgq n ASN 138 N 0.48 -4.02 -4.68 -1.22 4.13 -0.94 -1.05 115.26 107.94 1xgq n ASN 138 Ca -0.10 -1.06 -0.24 0.00 1.68 0.00 0.00 54.58 54.86 1xgq n ASN 138 Cb 0.52 -3.04 -0.07 0.00 -1.54 0.00 0.00 39.78 35.65 1xgq n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1xgq s PHE 139 N -3.59 2.62 -0.27 3.10 -0.71 0.07 -4.63 117.98 114.57 1xgq s PHE 139 Ca 0.37 -0.43 -0.22 0.00 -1.04 0.00 0.00 56.93 55.62 1xgq s PHE 139 Cb -0.15 -1.60 0.08 0.00 -1.21 0.00 0.00 43.02 40.14 1xgq s PHE 139 CO 0.89 0.39 0.73 -0.47 -1.34 0.00 0.00 175.22 175.41 1xgq s TYR 140 N -2.49 -0.87 1.08 3.49 6.14 0.08 -0.54 117.35 124.25 1xgq s TYR 140 Ca 0.37 1.96 -0.18 0.00 0.64 0.00 0.00 57.07 59.85 1xgq s TYR 140 Cb -0.01 0.40 0.26 0.00 0.42 0.00 0.00 41.96 43.03 1xgq s TYR 140 CO 0.21 -0.42 1.08 -0.35 0.64 0.00 0.00 175.55 176.70 1xgq n PRO 141 N 3.23 -2.50 0.20 4.97 -0.04 -1.26 -0.13 135.00 139.46 1xgq n PRO 141 Ca -0.16 -1.70 0.05 0.00 -0.04 0.00 0.00 63.50 61.65 1xgq n PRO 141 Cb 0.56 -1.45 0.43 0.00 -0.04 0.00 0.00 33.50 33.00 1xgq n PRO 141 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1xgq h LYS 142 N 0.00 0.00 -6.35 0.54 1.63 -1.98 -3.44 116.57 106.97 1xgq h LYS 142 Ca -0.39 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 58.87 1xgq h LYS 142 Cb 1.15 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.80 1xgq h LYS 142 CO 0.26 0.31 1.21 -0.25 -3.45 0.00 0.00 179.45 177.53 1xgq n ASP 143 N -4.00 4.04 -3.61 4.20 8.00 -1.26 -4.96 116.55 118.97 1xgq n ASP 143 Ca -0.02 0.92 -0.15 0.00 0.71 0.00 0.00 54.79 56.25 1xgq n ASP 143 Cb 0.37 -1.50 -0.07 0.00 -0.02 0.00 0.00 41.12 39.90 1xgq n ASP 143 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1xgq s ILE 144 N 4.34 0.00 -0.14 0.53 2.07 -1.26 -4.56 121.20 122.17 1xgq s ILE 144 Ca 0.89 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 60.14 1xgq s ILE 144 Cb -0.48 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.10 1xgq s ILE 144 CO 0.44 0.00 -0.15 0.21 -1.91 0.00 0.00 174.94 173.52 1xgq s ASN 145 N 0.11 3.71 -0.15 4.50 3.84 -0.69 -4.99 114.94 121.27 1xgq s ASN 145 Ca -0.02 -0.44 -0.00 0.00 0.21 0.00 0.00 52.86 52.61 1xgq s ASN 145 Cb -0.04 -1.56 -0.01 0.00 -0.55 0.00 0.00 41.25 39.09 1xgq s ASN 145 CO 0.03 0.11 -0.14 0.54 -2.79 0.00 0.00 177.10 174.85 1xgq s VAL 146 N 0.66 2.86 -0.06 -5.21 0.11 -1.26 -0.70 120.40 116.80 1xgq s VAL 146 Ca -0.08 -0.71 0.05 0.00 -2.93 0.00 0.00 61.98 58.31 1xgq s VAL 146 Cb -0.16 -2.21 -0.00 0.00 -1.53 0.00 0.00 36.38 32.48 1xgq s VAL 146 CO 0.02 0.51 -0.21 -0.75 -3.33 0.00 0.00 175.10 171.35 1xgq s LYS 147 N 0.64 2.29 0.08 1.54 2.20 0.11 -4.96 119.74 121.63 1xgq s LYS 147 Ca -0.08 -0.76 0.02 0.00 -0.36 0.00 0.00 55.97 54.80 1xgq s LYS 147 Cb -0.16 -1.90 -0.04 0.00 -1.51 0.00 0.00 37.83 34.22 1xgq s LYS 147 CO 0.03 0.27 0.16 -1.58 -0.36 0.00 0.00 175.35 173.86 1xgq s TRP 148 N 0.06 3.37 -0.05 4.03 0.52 -1.26 0.10 118.94 125.71 1xgq s TRP 148 Ca -0.07 0.16 -0.03 0.00 0.02 0.00 0.00 56.10 56.18 1xgq s TRP 148 Cb -0.14 -1.69 0.02 0.00 -1.15 0.00 0.00 33.47 30.52 1xgq s TRP 148 CO 0.04 0.55 0.11 0.15 0.02 0.00 0.00 176.95 177.83 1xgq s LYS 149 N -2.53 0.10 -0.15 4.98 1.02 -0.35 -1.14 119.74 121.66 1xgq s LYS 149 Ca 0.32 0.23 0.01 0.00 0.02 0.00 0.00 55.97 56.56 1xgq s LYS 149 Cb -0.12 -0.05 0.02 0.00 -0.52 0.00 0.00 37.83 37.15 1xgq s LYS 149 CO 0.25 -0.08 -0.19 0.42 -0.92 0.00 0.00 175.35 174.84 1xgq s ILE 150 N 0.55 1.88 -1.64 2.17 1.01 0.51 -0.86 121.20 124.82 1xgq s ILE 150 Ca -0.04 -0.84 -0.16 0.00 0.00 0.00 0.00 60.65 59.60 1xgq s ILE 150 Cb -0.06 -1.70 0.13 0.00 0.01 0.00 0.00 42.46 40.84 1xgq s ILE 150 CO -0.02 0.51 0.84 0.47 0.00 0.00 0.00 174.94 176.74 1xgq n ASP 151 N 4.45 -3.69 0.00 3.58 8.00 -0.29 -0.61 116.55 127.99 1xgq n ASP 151 Ca -0.20 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.37 1xgq n ASP 151 Cb 0.51 -3.15 0.00 0.00 -0.02 0.00 0.00 41.12 38.45 1xgq n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xgq n GLY 152 N -1.52 0.88 3.53 0.44 0.00 -1.26 -5.03 105.19 102.23 1xgq n GLY 152 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1xgq n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xgq s SER 153 N -2.78 4.77 0.34 1.61 0.01 0.22 -5.06 113.70 112.80 1xgq s SER 153 Ca 0.00 -0.08 -0.29 0.00 1.31 0.00 0.00 55.95 56.89 1xgq s SER 153 Cb 0.00 -1.58 -0.11 0.00 0.21 0.00 0.00 66.02 64.54 1xgq s SER 153 CO 0.00 0.24 1.46 -0.70 0.41 0.00 0.00 173.24 174.66 1xgq s GLU 154 N -0.09 4.17 -0.11 12.44 2.12 -1.26 -0.36 118.70 135.61 1xgq s GLU 154 Ca 0.02 2.48 0.02 0.00 0.36 0.00 0.00 54.97 57.84 1xgq s GLU 154 Cb -0.13 -3.01 0.01 0.00 0.26 0.00 0.00 34.13 31.26 1xgq s GLU 154 CO 0.03 -0.47 -0.15 0.50 -0.54 0.00 0.00 175.26 174.62 1xgq s ARG 155 N -1.62 2.24 -0.13 4.30 6.06 -0.29 -4.84 118.95 124.66 1xgq s ARG 155 Ca 0.54 -0.57 0.01 0.00 -2.50 0.00 0.00 55.73 53.22 1xgq s ARG 155 Cb -0.45 -1.91 -0.08 0.00 0.06 0.00 0.00 34.95 32.57 1xgq s ARG 155 CO 0.57 -0.07 -0.11 1.04 -2.50 0.00 0.00 175.30 174.23 1xgq n GLN 156 N 4.22 0.37 -2.23 5.12 6.02 -1.26 -4.26 117.38 125.37 1xgq n GLN 156 Ca -0.19 0.07 -0.40 0.00 -0.01 0.00 0.00 57.00 56.48 1xgq n GLN 156 Cb 0.51 -1.26 -0.02 0.00 1.02 0.00 0.00 30.24 30.49 1xgq n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1xgq s ASN 157 N -5.22 6.70 0.00 1.08 0.01 -1.26 -3.01 114.94 113.25 1xgq s ASN 157 Ca -0.17 2.50 0.00 0.00 -0.71 0.00 0.00 52.86 54.48 1xgq s ASN 157 Cb 0.04 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.07 1xgq s ASN 157 CO 0.30 -0.56 0.00 0.61 -1.51 0.00 0.00 177.10 175.94 1xgq n GLY 158 N 0.79 0.82 3.68 0.66 0.00 -1.26 -4.86 105.19 105.02 1xgq n GLY 158 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1xgq n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xgq s VAL 159 N -3.21 5.27 -0.06 1.61 1.01 -1.16 -1.02 120.40 122.84 1xgq s VAL 159 Ca 0.00 0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.52 1xgq s VAL 159 Cb 0.00 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1xgq s VAL 159 CO 0.00 0.31 -0.16 -0.76 0.00 0.00 0.00 175.10 174.49 1xgq s LEU 160 N 1.06 1.80 0.14 3.92 1.43 -0.20 -4.98 118.68 121.86 1xgq s LEU 160 Ca 0.15 -0.36 0.09 0.00 -1.03 0.00 0.00 54.13 52.98 1xgq s LEU 160 Cb -0.14 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 1xgq s LEU 160 CO 0.06 0.09 -0.16 0.20 0.23 0.00 0.00 176.35 176.77 1xgq s ASN 161 N 0.42 3.98 -0.01 2.29 0.01 -1.26 -0.93 114.94 119.44 1xgq s ASN 161 Ca -0.12 -0.58 0.01 0.00 -0.71 0.00 0.00 52.86 51.47 1xgq s ASN 161 Cb -0.15 -0.59 0.00 0.00 0.41 0.00 0.00 41.25 40.92 1xgq s ASN 161 CO 0.04 0.15 -0.05 -0.55 -1.51 0.00 0.00 177.10 175.19 1xgq s SER 162 N -2.36 0.60 -0.00 -1.22 0.15 0.11 -5.00 113.70 105.97 1xgq s SER 162 Ca 0.20 -0.09 0.06 0.00 0.70 0.00 0.00 55.95 56.82 1xgq s SER 162 Cb -0.10 -0.10 -0.02 0.00 -1.71 0.00 0.00 66.02 64.09 1xgq s SER 162 CO 0.12 0.04 -0.19 0.26 1.20 0.00 0.00 173.24 174.67 1xgq s TRP 163 N 0.04 1.70 0.41 3.44 0.51 -1.26 -0.80 118.94 122.98 1xgq s TRP 163 Ca 0.00 -0.33 -0.00 0.00 -2.12 0.00 0.00 56.10 53.65 1xgq s TRP 163 Cb -0.04 -1.08 -0.02 0.00 -0.81 0.00 0.00 33.47 31.53 1xgq s TRP 163 CO -0.00 -0.00 0.63 0.95 -0.51 0.00 0.00 176.95 178.02 1xgq s THR 164 N -0.53 4.59 0.75 2.01 -4.23 -0.91 -5.03 115.64 112.29 1xgq s THR 164 Ca 0.07 -0.39 -0.12 0.00 -1.18 0.00 0.00 61.69 60.07 1xgq s THR 164 Cb -0.08 -3.69 0.04 0.00 1.34 0.00 0.00 72.50 70.11 1xgq s THR 164 CO -0.00 -0.50 1.11 -1.81 -0.54 0.00 0.00 174.62 172.89 1xgq s ASP 165 N -4.13 5.02 0.07 3.99 1.01 -1.26 -4.58 116.67 116.79 1xgq s ASP 165 Ca 0.45 1.10 -0.36 0.00 0.71 0.00 0.00 52.55 54.45 1xgq s ASP 165 Cb -0.10 -1.82 -0.15 0.00 1.01 0.00 0.00 42.92 41.86 1xgq s ASP 165 CO 0.38 -1.61 1.50 1.67 0.21 0.00 0.00 175.17 177.32 1xgq n GLN 166 N -3.17 1.57 -1.68 8.23 7.27 -1.26 -4.78 117.38 123.56 1xgq n GLN 166 Ca 0.07 0.57 -0.44 0.00 0.07 0.00 0.00 57.00 57.27 1xgq n GLN 166 Cb 0.58 -2.27 -0.04 0.00 2.41 0.00 0.00 30.24 30.92 1xgq n GLN 166 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1xgq n ASP 167 N 3.36 3.85 0.20 1.69 4.64 0.11 -4.89 116.55 125.51 1xgq n ASP 167 Ca 0.19 0.97 0.06 0.00 -1.38 0.00 0.00 54.79 54.63 1xgq n ASP 167 Cb 0.23 -1.49 0.55 0.00 -1.04 0.00 0.00 41.12 39.37 1xgq n ASP 167 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 1xgq h SER 168 N 8.99 0.09 0.18 1.67 0.02 -1.89 0.26 113.55 122.87 1xgq h SER 168 Ca -0.48 -0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 60.21 1xgq h SER 168 Cb 1.24 -0.02 0.03 0.00 0.14 0.00 0.00 62.40 63.78 1xgq h SER 168 CO 0.94 0.14 -1.13 0.11 -1.14 0.00 0.00 176.83 175.75 1xgq h LYS 169 N 0.10 0.38 0.00 3.45 1.57 -1.97 -3.41 116.57 116.69 1xgq h LYS 169 Ca 0.02 -0.66 0.00 0.00 -1.87 0.00 0.00 60.65 58.15 1xgq h LYS 169 Cb 0.12 0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1xgq h LYS 169 CO 0.00 1.31 0.00 -0.40 -0.57 0.00 0.00 179.45 179.80 1xgq n ASP 170 N -3.95 0.65 -1.56 0.86 5.68 -1.21 -5.02 116.55 112.00 1xgq n ASP 170 Ca -0.16 -1.31 -0.19 0.00 -0.50 0.00 0.00 54.79 52.63 1xgq n ASP 170 Cb 0.94 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.84 1xgq n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1xgq n SER 171 N -0.15 -5.35 -3.99 -1.12 7.64 0.90 -4.97 113.62 106.58 1xgq n SER 171 Ca 0.00 0.43 -0.15 0.00 1.01 0.00 0.00 58.87 60.15 1xgq n SER 171 Cb 0.38 -4.54 0.07 0.00 -1.01 0.00 0.00 64.21 59.12 1xgq n SER 171 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1xgq n THR 172 N -2.61 0.00 -4.25 0.44 -2.24 -1.26 -4.59 114.28 99.77 1xgq n THR 172 Ca -0.20 -1.27 -0.20 0.00 -2.27 0.00 0.00 64.05 60.12 1xgq n THR 172 Cb 0.64 -0.85 -0.12 0.00 -2.10 0.00 0.00 70.33 67.91 1xgq n THR 172 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1xgq s TYR 173 N -1.91 1.51 0.09 4.78 2.02 0.30 0.06 117.35 124.21 1xgq s TYR 173 Ca 0.46 -0.50 0.02 0.00 -0.37 0.00 0.00 57.07 56.69 1xgq s TYR 173 Cb -0.03 -0.80 -0.04 0.00 -0.40 0.00 0.00 41.96 40.69 1xgq s TYR 173 CO 0.30 0.17 -0.07 -1.12 -1.57 0.00 0.00 175.55 173.26 1xgq s SER 174 N -2.25 1.18 -0.02 2.29 0.01 -1.26 -0.75 113.70 112.89 1xgq s SER 174 Ca 0.08 -0.90 -0.12 0.00 1.31 0.00 0.00 55.95 56.32 1xgq s SER 174 Cb -0.07 0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.24 1xgq s SER 174 CO 0.04 -0.38 0.25 -0.32 0.41 0.00 0.00 173.24 173.23 1xgq s MET 175 N -3.30 0.56 -0.06 12.44 1.75 0.11 -2.15 119.30 128.65 1xgq s MET 175 Ca 0.08 -0.18 0.04 0.00 -1.25 0.00 0.00 55.69 54.38 1xgq s MET 175 Cb 0.01 0.25 -0.00 0.00 2.84 0.00 0.00 34.83 37.93 1xgq s MET 175 CO -0.03 -0.14 -0.19 0.45 -0.65 0.00 0.00 175.02 174.46 1xgq s SER 176 N -1.14 2.47 -0.08 1.11 0.15 0.02 -0.31 113.70 115.92 1xgq s SER 176 Ca -0.12 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.12 1xgq s SER 176 Cb -0.06 -0.86 0.02 0.00 -1.71 0.00 0.00 66.02 63.41 1xgq s SER 176 CO 0.03 0.15 -0.10 -0.55 1.20 0.00 0.00 173.24 173.97 1xgq s SER 177 N 0.18 1.87 -0.09 5.45 0.15 0.13 -0.71 113.70 120.66 1xgq s SER 177 Ca -0.09 -0.29 0.02 0.00 0.70 0.00 0.00 55.95 56.29 1xgq s SER 177 Cb -0.14 -0.81 0.01 0.00 -1.71 0.00 0.00 66.02 63.37 1xgq s SER 177 CO 0.04 -0.02 -0.16 -0.89 1.20 0.00 0.00 173.24 173.41 1xgq s THR 178 N 1.04 1.50 -0.32 6.45 2.01 -0.10 -0.70 115.64 125.51 1xgq s THR 178 Ca -0.08 -0.67 -0.10 0.00 0.31 0.00 0.00 61.69 61.16 1xgq s THR 178 Cb -0.15 -1.35 -0.00 0.00 0.01 0.00 0.00 72.50 71.01 1xgq s THR 178 CO -0.01 0.44 0.16 -0.22 -0.69 0.00 0.00 174.62 174.30 1xgq s LEU 179 N 0.78 4.20 -0.20 4.42 2.96 0.22 -1.03 118.68 130.04 1xgq s LEU 179 Ca -0.11 -0.61 -0.05 0.00 -0.22 0.00 0.00 54.13 53.14 1xgq s LEU 179 Cb -0.16 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 1xgq s LEU 179 CO 0.02 -0.23 0.01 -0.89 -1.32 0.00 0.00 176.35 173.94 1xgq s THR 180 N 1.60 4.06 0.35 3.68 2.01 -0.19 0.40 115.64 127.56 1xgq s THR 180 Ca 0.04 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 61.80 1xgq s THR 180 Cb -0.17 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 1xgq s THR 180 CO 0.06 0.43 0.13 -0.76 -0.69 0.00 0.00 174.62 173.80 1xgq s LEU 181 N 0.88 1.89 0.47 4.42 1.43 0.71 -4.66 118.68 123.82 1xgq s LEU 181 Ca 0.01 -1.59 -0.03 0.00 -1.03 0.00 0.00 54.13 51.49 1xgq s LEU 181 Cb -0.14 -0.01 -0.02 0.00 0.03 0.00 0.00 46.19 46.04 1xgq s LEU 181 CO 0.02 -0.87 0.73 0.42 0.23 0.00 0.00 176.35 176.88 1xgq s THR 182 N -3.38 4.57 0.31 5.49 -4.23 -1.26 -1.50 115.64 115.64 1xgq s THR 182 Ca 0.31 -0.10 0.03 0.00 -1.18 0.00 0.00 61.69 60.75 1xgq s THR 182 Cb 0.04 -3.72 0.29 0.00 1.34 0.00 0.00 72.50 70.45 1xgq s THR 182 CO 0.16 -0.63 1.88 0.50 -0.54 0.00 0.00 174.62 175.99 1xgq h LYS 183 N 0.30 0.89 -0.50 3.99 3.64 -1.50 -1.36 116.57 122.02 1xgq h LYS 183 Ca -0.47 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 58.75 1xgq h LYS 183 Cb 1.23 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1xgq h LYS 183 CO 0.61 0.59 -0.10 -0.44 -2.27 0.00 0.00 179.45 177.83 1xgq h ASP 184 N 0.92 0.92 -0.27 4.20 3.45 -1.93 -0.78 116.42 122.92 1xgq h ASP 184 Ca 0.44 -0.29 -0.12 0.00 0.43 0.00 0.00 57.03 57.48 1xgq h ASP 184 Cb 0.44 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 38.95 1xgq h ASP 184 CO -0.20 1.03 -0.31 -0.33 -1.57 0.00 0.00 179.24 177.87 1xgq h GLU 185 N 0.83 0.69 -0.35 3.56 5.08 -1.80 -2.67 114.58 119.92 1xgq h GLU 185 Ca 0.13 -0.38 0.06 0.00 -1.00 0.00 0.00 59.36 58.17 1xgq h GLU 185 Cb 0.63 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.85 1xgq h GLU 185 CO 0.04 0.99 0.05 -0.92 -1.00 0.00 0.00 179.01 178.17 1xgq h TYR 186 N 0.43 0.07 0.00 4.33 3.20 -1.10 -1.39 116.97 122.51 1xgq h TYR 186 Ca 0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1xgq h TYR 186 Cb 0.89 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.18 1xgq h TYR 186 CO 0.08 -0.01 0.00 0.39 -1.64 0.00 0.00 178.16 176.97 1xgq n GLU 187 N -5.12 0.32 0.11 1.82 1.02 -0.31 -2.68 120.64 115.80 1xgq n GLU 187 Ca 0.01 0.07 0.12 0.00 -0.02 0.00 0.00 57.16 57.35 1xgq n GLU 187 Cb 0.17 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 30.31 1xgq n GLU 187 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xgq h ARG 188 N 0.00 0.00 -5.72 3.49 3.08 -0.88 -3.47 114.38 110.88 1xgq h ARG 188 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 1xgq h ARG 188 Cb 0.21 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.13 1xgq h ARG 188 CO 0.00 0.00 -0.62 -1.01 -1.07 0.00 0.00 179.97 177.27 1xgq s HIS 189 N -3.18 2.50 -0.03 3.04 3.76 -1.09 -5.11 115.29 115.18 1xgq s HIS 189 Ca 0.07 -0.63 -0.07 0.00 -0.15 0.00 0.00 55.06 54.28 1xgq s HIS 189 Cb 0.11 -1.70 -0.03 0.00 1.11 0.00 0.00 32.58 32.07 1xgq s HIS 189 CO 0.68 0.47 -0.14 -1.71 -0.85 0.00 0.00 174.74 173.20 1xgq n ASN 190 N -0.94 1.30 -4.71 1.40 5.15 -1.26 -4.76 115.26 111.45 1xgq n ASN 190 Ca -0.05 0.20 -0.37 0.00 -0.60 0.00 0.00 54.58 53.76 1xgq n ASN 190 Cb 0.66 -0.46 -0.07 0.00 -0.53 0.00 0.00 39.78 39.38 1xgq n ASN 190 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1xgq s SER 191 N -5.97 6.46 -0.12 1.20 1.04 -1.26 -0.93 113.70 114.13 1xgq s SER 191 Ca -0.12 0.54 0.03 0.00 0.48 0.00 0.00 55.95 56.87 1xgq s SER 191 Cb 0.02 -2.21 -0.00 0.00 0.10 0.00 0.00 66.02 63.94 1xgq s SER 191 CO 0.17 0.04 -0.21 -0.31 0.98 0.00 0.00 173.24 173.91 1xgq s TYR 192 N 0.71 2.64 -0.02 5.02 1.51 -0.72 -1.14 117.35 125.35 1xgq s TYR 192 Ca 0.18 -1.04 0.03 0.00 -1.01 0.00 0.00 57.07 55.23 1xgq s TYR 192 Cb -0.14 -1.77 -0.00 0.00 -0.11 0.00 0.00 41.96 39.95 1xgq s TYR 192 CO 0.06 -0.43 -0.09 0.99 -1.11 0.00 0.00 175.55 174.97 1xgq s THR 193 N 0.47 0.75 -0.26 -0.71 2.01 -0.04 -2.23 115.64 115.63 1xgq s THR 193 Ca -0.14 -0.37 -0.03 0.00 0.31 0.00 0.00 61.69 61.45 1xgq s THR 193 Cb -0.17 -0.65 0.02 0.00 0.01 0.00 0.00 72.50 71.71 1xgq s THR 193 CO 0.06 0.22 -0.02 0.00 -0.69 0.00 0.00 174.62 174.19 1xgq s GLU 195 N 1.39 3.39 -0.19 0.00 2.02 0.12 -1.83 118.70 123.60 1xgq s GLU 195 Ca 0.02 -0.64 -0.02 0.00 0.02 0.00 0.00 54.97 54.35 1xgq s GLU 195 Cb -0.16 -2.87 -0.00 0.00 0.10 0.00 0.00 34.13 31.19 1xgq s GLU 195 CO -0.02 -0.04 -0.10 0.00 0.02 0.00 0.00 175.26 175.12 1xgq s ALA 196 N 1.03 2.65 -0.19 5.21 0.00 -0.11 0.07 121.76 130.43 1xgq s ALA 196 Ca 0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 50.81 1xgq s ALA 196 Cb -0.15 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.49 1xgq s ALA 196 CO -0.01 -0.23 -0.02 0.99 0.00 0.00 0.00 175.76 176.49 1xgq s THR 197 N 1.14 3.88 0.05 0.00 2.01 0.13 -0.02 115.64 122.82 1xgq s THR 197 Ca 0.01 -0.35 -0.03 0.00 0.31 0.00 0.00 61.69 61.64 1xgq s THR 197 Cb -0.14 -2.74 -0.02 0.00 0.01 0.00 0.00 72.50 69.60 1xgq s THR 197 CO -0.03 0.45 0.03 -2.28 -0.69 0.00 0.00 174.62 172.10 1xgq s HIS 198 N 0.84 0.35 0.53 4.92 2.46 -1.26 -1.71 115.29 121.43 1xgq s HIS 198 Ca 0.00 -0.79 0.29 0.00 0.47 0.00 0.00 55.06 55.03 1xgq s HIS 198 Cb -0.14 -0.26 1.45 0.00 -0.13 0.00 0.00 32.58 33.50 1xgq s HIS 198 CO 0.02 -0.37 1.93 -0.22 -2.47 0.00 0.00 174.74 173.63 1xgq h LYS 199 N 3.43 0.00 0.00 2.88 3.64 -1.94 -2.16 116.57 122.41 1xgq h LYS 199 Ca -0.33 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1xgq h LYS 199 Cb 1.17 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1xgq h LYS 199 CO 0.57 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 178.01 1xgq n THR 200 N -4.31 1.28 -3.64 1.00 -2.24 -1.26 -4.72 114.28 100.39 1xgq n THR 200 Ca 0.15 0.32 -0.10 0.00 -2.27 0.00 0.00 64.05 62.15 1xgq n THR 200 Cb 0.82 -1.20 -0.07 0.00 -2.10 0.00 0.00 70.33 67.78 1xgq n THR 200 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1xgq s SER 201 N -2.84 -0.52 0.48 3.42 1.04 -0.81 -5.01 113.70 109.45 1xgq s SER 201 Ca 0.05 1.01 0.29 0.00 0.48 0.00 0.00 55.95 57.78 1xgq s SER 201 Cb 0.05 1.03 1.02 0.00 0.10 0.00 0.00 66.02 68.21 1xgq s SER 201 CO 0.12 -0.17 1.85 0.71 0.98 0.00 0.00 173.24 176.72 1xgq h THR 202 N 3.71 0.00 -3.80 2.02 1.35 -1.84 -3.39 112.91 110.95 1xgq h THR 202 Ca -0.28 -0.63 -0.63 0.00 -0.55 0.00 0.00 66.41 64.32 1xgq h THR 202 Cb 1.17 1.60 -0.16 0.00 -1.73 0.00 0.00 68.15 69.04 1xgq h THR 202 CO 0.09 0.00 -0.41 -0.94 -0.25 0.00 0.00 175.52 174.01 1xgq s SER 203 N -5.66 6.12 0.57 5.36 1.04 -1.26 -5.05 113.70 114.82 1xgq s SER 203 Ca 0.04 0.12 -0.21 0.00 0.48 0.00 0.00 55.95 56.38 1xgq s SER 203 Cb 0.08 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 64.01 1xgq s SER 203 CO 0.57 -0.09 1.31 -2.16 0.98 0.00 0.00 173.24 173.85 1xgq s PRO 204 N 1.80 3.02 -0.07 4.02 0.04 -1.26 -4.90 135.00 137.64 1xgq s PRO 204 Ca 0.10 2.11 -0.28 0.00 0.04 0.00 0.00 61.00 62.97 1xgq s PRO 204 Cb -0.16 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 1xgq s PRO 204 CO 0.10 -1.25 0.90 0.42 0.04 0.00 0.00 177.00 177.21 1xgq s ILE 205 N -1.38 4.89 -0.14 0.56 1.01 0.97 -4.87 121.20 122.25 1xgq s ILE 205 Ca 0.74 1.84 0.01 0.00 0.00 0.00 0.00 60.65 63.25 1xgq s ILE 205 Cb -0.38 -4.22 -0.00 0.00 0.01 0.00 0.00 42.46 37.87 1xgq s ILE 205 CO 0.43 0.12 -0.17 -0.69 0.00 0.00 0.00 174.94 174.63 1xgq s VAL 206 N 1.39 2.57 -0.09 2.92 1.01 -1.26 -0.93 120.40 126.01 1xgq s VAL 206 Ca 0.45 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1xgq s VAL 206 Cb -0.19 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.14 1xgq s VAL 206 CO 0.21 0.53 -0.15 -0.54 0.00 0.00 0.00 175.10 175.15 1xgq s LYS 207 N 0.64 2.13 0.26 2.72 -0.14 -0.76 -5.02 119.74 119.56 1xgq s LYS 207 Ca -0.09 -0.54 -0.07 0.00 -1.36 0.00 0.00 55.97 53.91 1xgq s LYS 207 Cb -0.16 -1.77 -0.01 0.00 -1.68 0.00 0.00 37.83 34.21 1xgq s LYS 207 CO 0.03 -0.01 0.39 0.45 -0.76 0.00 0.00 175.35 175.44 1xgq s SER 208 N 0.84 0.22 -0.00 2.83 0.15 -1.26 -0.68 113.70 115.79 1xgq s SER 208 Ca -0.10 -1.18 -0.29 0.00 0.70 0.00 0.00 55.95 55.08 1xgq s SER 208 Cb -0.15 0.56 0.07 0.00 -1.71 0.00 0.00 66.02 64.78 1xgq s SER 208 CO 0.01 -1.11 0.66 0.72 1.20 0.00 0.00 173.24 174.73 1xgq s PHE 209 N -3.81 -0.63 0.04 3.44 -0.12 -0.95 -5.02 117.98 110.93 1xgq s PHE 209 Ca 0.29 0.95 0.08 0.00 -0.05 0.00 0.00 56.93 58.20 1xgq s PHE 209 Cb 0.01 0.44 -0.03 0.00 -0.63 0.00 0.00 43.02 42.81 1xgq s PHE 209 CO 0.13 -0.66 -0.21 -0.80 -0.05 0.00 0.00 175.22 173.62 1xgq s ASN 210 N -1.53 3.55 0.06 1.98 0.01 -1.26 -1.75 114.94 115.99 1xgq s ASN 210 Ca -0.08 -0.49 0.25 0.00 -0.71 0.00 0.00 52.86 51.83 1xgq s ASN 210 Cb -0.00 -0.48 1.03 0.00 0.41 0.00 0.00 41.25 42.20 1xgq s ASN 210 CO 0.05 0.26 1.80 0.54 -1.51 0.00 0.00 177.10 178.23 1xgq n ARG 211 N 1.63 0.06 0.00 -0.60 1.74 -0.10 -2.49 116.66 116.90 1xgq n ARG 211 Ca -0.16 0.11 0.14 0.00 -0.77 0.00 0.00 57.85 57.17 1xgq n ARG 211 Cb 0.52 -1.58 0.65 0.00 -1.02 0.00 0.00 32.46 31.03 1xgq n ARG 211 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1xgq n ASN 212 N -1.69 0.24 -3.79 0.55 0.23 -1.26 -4.71 115.26 104.83 1xgq n ASN 212 Ca 0.06 -0.27 -0.15 0.00 -0.53 0.00 0.00 54.58 53.68 1xgq n ASN 212 Cb 0.32 -0.18 -0.16 0.00 -2.08 0.00 0.00 39.78 37.68 1xgq n ASN 212 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1xgq s GLU 213 N -2.60 0.07 0.00 -3.83 2.12 -1.04 -5.24 118.70 108.17 1xgq s GLU 213 Ca 0.26 0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.73 1xgq s GLU 213 Cb 0.20 -0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.28 1xgq s GLU 213 CO 0.49 -0.15 0.00 0.00 -0.54 0.00 0.00 175.26 175.06