#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsq s LYS 2 N 0.00 0.56 -0.28 0.03 2.47 -1.26 -5.08 119.74 116.18 3hsq s LYS 2 Ca 0.00 1.13 -0.09 0.00 -1.56 0.00 0.00 55.97 55.45 3hsq s LYS 2 Cb 0.00 0.65 -0.02 0.00 -1.46 0.00 0.00 37.83 37.00 3hsq s LYS 2 CO 0.00 -0.46 0.12 0.42 0.16 0.00 0.00 175.35 175.59 3hsq s ILE 3 N 2.87 4.59 0.32 5.43 1.01 -1.26 -2.14 121.20 132.01 3hsq s ILE 3 Ca 0.11 -0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.25 3hsq s ILE 3 Cb -0.14 -3.24 -0.12 0.00 0.01 0.00 0.00 42.46 38.97 3hsq s ILE 3 CO -0.20 0.21 1.38 1.57 0.00 0.00 0.00 174.94 177.90 3hsq n HIS 4 N 4.97 2.42 0.21 3.97 -0.00 -0.34 -4.87 115.22 121.57 3hsq n HIS 4 Ca -0.15 0.47 0.18 0.00 -0.00 0.00 0.00 57.72 58.23 3hsq n HIS 4 Cb 0.51 -2.46 0.83 0.00 -0.00 0.00 0.00 29.99 28.86 3hsq n HIS 4 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3hsq h PRO 5 N 3.26 0.00 -0.00 1.57 0.11 -1.94 -1.58 132.00 133.41 3hsq h PRO 5 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hsq h PRO 5 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3hsq h PRO 5 CO 0.68 0.00 -0.37 0.25 -0.21 0.00 0.00 178.00 178.35 3hsq n THR 6 N -3.57 0.00 -2.10 -1.15 -2.24 -1.26 -4.89 114.28 99.07 3hsq n THR 6 Ca 0.02 -0.02 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 3hsq n THR 6 Cb 0.40 0.14 -0.01 0.00 -2.10 0.00 0.00 70.33 68.75 3hsq n THR 6 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hsq s ALA 7 N -2.89 3.24 -0.50 6.98 0.00 -0.60 -3.93 121.76 124.06 3hsq s ALA 7 Ca 0.15 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 53.24 3hsq s ALA 7 Cb 0.18 -3.46 0.13 0.00 0.00 0.00 0.00 23.12 19.97 3hsq s ALA 7 CO 0.63 -0.76 0.31 0.42 0.00 0.00 0.00 175.76 176.37 3hsq s ILE 8 N -1.29 3.61 -0.31 0.00 1.01 0.57 -4.96 121.20 119.84 3hsq s ILE 8 Ca 0.57 -2.32 -0.02 0.00 0.00 0.00 0.00 60.65 58.87 3hsq s ILE 8 Cb -0.37 -3.41 0.05 0.00 0.01 0.00 0.00 42.46 38.74 3hsq s ILE 8 CO 0.47 -0.77 0.02 -0.63 0.00 0.00 0.00 174.94 174.02 3hsq s ILE 9 N 0.76 3.09 0.11 2.92 1.01 -1.26 -0.80 121.20 127.03 3hsq s ILE 9 Ca 0.11 -1.36 -0.35 0.00 0.00 0.00 0.00 60.65 59.05 3hsq s ILE 9 Cb -0.22 -2.78 -0.17 0.00 0.01 0.00 0.00 42.46 39.30 3hsq s ILE 9 CO -0.04 -0.12 1.13 -0.67 0.00 0.00 0.00 174.94 175.24 3hsq n ASP 10 N 4.65 0.85 0.28 3.58 -0.08 -0.47 -4.86 116.55 120.49 3hsq n ASP 10 Ca -0.13 1.14 0.12 0.00 -1.51 0.00 0.00 54.79 54.41 3hsq n ASP 10 Cb 0.43 -1.11 0.79 0.00 2.34 0.00 0.00 41.12 43.57 3hsq n ASP 10 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3hsq h PRO 11 N 3.38 0.00 0.00 -0.67 0.11 -1.94 -2.27 132.00 130.60 3hsq h PRO 11 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hsq h PRO 11 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3hsq h PRO 11 CO 0.70 0.04 0.00 0.87 -0.21 0.00 0.00 178.00 179.40 3hsq h LYS 12 N 0.00 0.00 -6.81 1.05 6.56 -1.93 -3.46 116.57 111.98 3hsq h LYS 12 Ca -0.00 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.06 3hsq h LYS 12 Cb 0.09 0.00 0.07 0.00 -0.57 0.00 0.00 32.23 31.82 3hsq h LYS 12 CO 0.01 0.00 0.80 0.00 -2.06 0.00 0.00 179.45 178.19 3hsq s ALA 13 N -3.29 3.65 -0.48 3.86 0.00 -0.86 -4.69 121.76 119.95 3hsq s ALA 13 Ca 0.06 1.45 -0.15 0.00 0.00 0.00 0.00 51.96 53.33 3hsq s ALA 13 Cb 0.07 -3.59 0.09 0.00 0.00 0.00 0.00 23.12 19.69 3hsq s ALA 13 CO 0.62 -0.87 0.40 -1.21 0.00 0.00 0.00 175.76 174.70 3hsq s GLU 14 N -0.81 2.92 -0.15 0.00 2.02 -0.26 -5.01 118.70 117.41 3hsq s GLU 14 Ca 0.59 -1.46 0.02 0.00 0.02 0.00 0.00 54.97 54.13 3hsq s GLU 14 Cb -0.45 -4.12 0.01 0.00 0.10 0.00 0.00 34.13 29.67 3hsq s GLU 14 CO 0.49 -1.09 -0.19 -0.51 0.02 0.00 0.00 175.26 173.97 3hsq s LEU 15 N 1.60 2.25 0.40 1.80 1.02 -1.26 -0.99 118.68 123.48 3hsq s LEU 15 Ca 0.04 -0.56 -0.26 0.00 0.02 0.00 0.00 54.13 53.38 3hsq s LEU 15 Cb -0.26 -1.49 -0.11 0.00 0.02 0.00 0.00 46.19 44.36 3hsq s LEU 15 CO 0.05 0.08 1.13 1.57 0.02 0.00 0.00 176.35 179.20 3hsq n HIS 16 N 4.07 1.63 -0.24 0.29 -0.00 -1.04 -4.88 115.22 115.06 3hsq n HIS 16 Ca -0.20 0.56 0.21 0.00 -0.00 0.00 0.00 57.72 58.29 3hsq n HIS 16 Cb 0.52 -2.30 0.54 0.00 -0.00 0.00 0.00 29.99 28.75 3hsq n HIS 16 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 3hsq h GLU 17 N 1.89 0.33 0.00 1.57 -0.00 -1.98 -1.19 114.58 115.21 3hsq h GLU 17 Ca -0.45 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 58.89 3hsq h GLU 17 Cb 1.32 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 29.99 3hsq h GLU 17 CO 0.59 0.22 0.00 -1.13 -0.00 0.00 0.00 179.01 178.69 3hsq n SER 18 N -4.48 0.40 -4.69 3.06 3.41 -1.26 0.11 113.62 110.16 3hsq n SER 18 Ca 0.19 0.57 -0.42 0.00 -0.26 0.00 0.00 58.87 58.95 3hsq n SER 18 Cb 0.74 -0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 3hsq n SER 18 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hsq s VAL 19 N -3.12 3.04 -0.22 -3.33 1.01 -0.45 -4.32 120.40 113.01 3hsq s VAL 19 Ca 0.08 0.47 -0.10 0.00 0.00 0.00 0.00 61.98 62.44 3hsq s VAL 19 Cb 0.12 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 3hsq s VAL 19 CO 0.43 -0.00 0.13 -1.61 0.00 0.00 0.00 175.10 174.05 3hsq s GLU 20 N 2.70 4.08 -0.14 2.72 2.02 -0.83 -4.19 118.70 125.07 3hsq s GLU 20 Ca 0.74 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 55.46 3hsq s GLU 20 Cb -0.40 -3.44 0.02 0.00 0.10 0.00 0.00 34.13 30.42 3hsq s GLU 20 CO 0.32 0.17 -0.14 0.08 0.02 0.00 0.00 175.26 175.71 3hsq s VAL 21 N 0.73 1.54 0.41 2.63 1.01 -0.91 0.67 120.40 126.48 3hsq s VAL 21 Ca 0.07 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 3hsq s VAL 21 Cb -0.13 -1.44 0.09 0.00 0.00 0.00 0.00 36.38 34.91 3hsq s VAL 21 CO 0.02 0.45 0.56 0.61 0.00 0.00 0.00 175.10 176.74 3hsq n GLY 22 N 4.65 -0.48 3.73 4.51 0.00 0.17 -1.20 105.19 116.56 3hsq n GLY 22 Ca -0.17 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 3hsq n GLY 22 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hsq s PRO 23 N -4.08 4.28 -1.26 1.61 0.02 -1.26 -3.29 135.00 131.03 3hsq s PRO 23 Ca 0.34 2.22 0.00 0.00 0.02 0.00 0.00 61.00 63.58 3hsq s PRO 23 Cb -0.01 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.34 3hsq s PRO 23 CO 0.23 -0.45 0.00 0.66 -0.33 0.00 0.00 177.00 177.11 3hsq n TYR 24 N 3.23 -0.06 -2.98 6.54 4.02 -1.25 -1.17 117.16 125.49 3hsq n TYR 24 Ca 0.10 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.64 3hsq n TYR 24 Cb 0.41 -2.29 -0.06 0.00 -0.02 0.00 0.00 39.34 37.37 3hsq n TYR 24 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3hsq s SER 25 N -2.83 7.02 -0.17 7.72 0.01 -1.21 -3.83 113.70 120.42 3hsq s SER 25 Ca 0.00 1.54 0.01 0.00 1.31 0.00 0.00 55.95 58.81 3hsq s SER 25 Cb 0.00 -2.47 0.01 0.00 0.21 0.00 0.00 66.02 63.77 3hsq s SER 25 CO 0.00 -0.14 -0.19 -0.63 0.41 0.00 0.00 173.24 172.68 3hsq s ILE 26 N -1.81 2.18 -0.14 1.44 1.01 0.51 -0.32 121.20 124.07 3hsq s ILE 26 Ca 0.52 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 60.28 3hsq s ILE 26 Cb -0.14 -1.91 0.01 0.00 0.01 0.00 0.00 42.46 40.44 3hsq s ILE 26 CO 0.19 0.53 -0.21 -0.63 0.00 0.00 0.00 174.94 174.82 3hsq s ILE 27 N 1.11 1.99 0.82 2.92 1.01 0.02 -0.39 121.20 128.68 3hsq s ILE 27 Ca 0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 59.67 3hsq s ILE 27 Cb -0.14 -1.76 0.17 0.00 0.01 0.00 0.00 42.46 40.74 3hsq s ILE 27 CO -0.08 0.54 1.12 -1.61 0.00 0.00 0.00 174.94 174.91 3hsq s GLU 28 N 0.87 1.18 0.86 2.79 2.02 -0.29 -1.37 118.70 124.76 3hsq s GLU 28 Ca -0.06 -1.03 -0.12 0.00 0.02 0.00 0.00 54.97 53.77 3hsq s GLU 28 Cb -0.15 -2.18 0.11 0.00 0.10 0.00 0.00 34.13 32.01 3hsq s GLU 28 CO -0.03 -1.87 1.17 0.20 0.02 0.00 0.00 175.26 174.76 3hsq s GLY 29 N -4.85 1.59 -1.42 -1.39 0.00 -1.26 -4.11 107.32 95.88 3hsq s GLY 29 Ca 0.70 -0.62 -0.10 0.00 0.00 0.00 0.00 44.72 44.71 3hsq s GLY 29 CO 0.48 -0.09 1.07 0.70 0.00 0.00 0.00 173.10 175.25 3hsq n ASN 30 N -3.52 -5.19 -4.23 1.64 4.13 -1.26 -3.77 115.26 103.05 3hsq n ASN 30 Ca 0.08 -0.66 -0.28 0.00 1.68 0.00 0.00 54.58 55.39 3hsq n ASN 30 Cb 0.60 -4.50 -0.16 0.00 -1.54 0.00 0.00 39.78 34.18 3hsq n ASN 30 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3hsq s VAL 31 N -3.33 1.75 -0.06 2.41 1.01 -1.26 -0.35 120.40 120.57 3hsq s VAL 31 Ca 0.56 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.62 3hsq s VAL 31 Cb -0.26 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.67 3hsq s VAL 31 CO 0.78 0.49 -0.07 -0.94 0.00 0.00 0.00 175.10 175.36 3hsq s SER 32 N -0.36 1.36 -0.11 3.32 1.04 -0.59 -1.10 113.70 117.26 3hsq s SER 32 Ca 0.04 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.28 3hsq s SER 32 Cb -0.10 -0.61 0.02 0.00 0.10 0.00 0.00 66.02 65.43 3hsq s SER 32 CO 0.01 -0.04 -0.12 -0.63 0.98 0.00 0.00 173.24 173.43 3hsq s ILE 33 N 0.94 1.34 0.65 -1.02 1.01 -0.16 -0.06 121.20 123.88 3hsq s ILE 33 Ca -0.10 -0.52 -0.00 0.00 0.00 0.00 0.00 60.65 60.02 3hsq s ILE 33 Cb -0.15 -1.26 0.08 0.00 0.01 0.00 0.00 42.46 41.14 3hsq s ILE 33 CO 0.00 0.41 0.90 -1.10 0.00 0.00 0.00 174.94 175.16 3hsq s GLN 34 N 1.26 2.10 0.23 2.79 -0.21 -0.17 -2.49 119.66 123.17 3hsq s GLN 34 Ca -0.02 -0.90 -0.30 0.00 0.02 0.00 0.00 55.36 54.15 3hsq s GLN 34 Cb -0.14 -2.39 -0.15 0.00 1.00 0.00 0.00 33.01 31.34 3hsq s GLN 34 CO -0.05 -1.11 1.13 -1.91 -2.12 0.00 0.00 175.29 171.23 3hsq n GLU 35 N -2.63 1.37 -0.41 2.91 2.13 -1.26 -3.22 120.64 119.53 3hsq n GLU 35 Ca 0.11 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.42 3hsq n GLU 35 Cb 0.60 -1.95 0.00 0.00 0.27 0.00 0.00 31.44 30.36 3hsq n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hsq n GLY 36 N 1.69 0.86 3.72 8.31 0.00 -1.26 -0.71 105.19 117.79 3hsq n GLY 36 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3hsq n GLY 36 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hsq s THR 37 N -2.90 4.51 -0.16 2.61 2.01 -1.20 -3.82 115.64 116.69 3hsq s THR 37 Ca 0.00 2.00 0.00 0.00 0.31 0.00 0.00 61.69 64.00 3hsq s THR 37 Cb 0.00 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.23 3hsq s THR 37 CO 0.00 0.27 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.40 3hsq s ILE 38 N 0.26 2.51 -0.21 1.82 1.01 -0.09 -1.96 121.20 124.55 3hsq s ILE 38 Ca 0.49 -0.82 -0.04 0.00 0.00 0.00 0.00 60.65 60.28 3hsq s ILE 38 Cb -0.24 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 3hsq s ILE 38 CO 0.30 0.52 -0.02 -0.63 0.00 0.00 0.00 174.94 175.10 3hsq s ILE 39 N 0.94 3.64 0.00 2.92 1.01 0.21 -0.92 121.20 129.00 3hsq s ILE 39 Ca -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.21 3hsq s ILE 39 Cb -0.15 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.67 3hsq s ILE 39 CO -0.03 0.42 0.00 -0.62 0.00 0.00 0.00 174.94 174.71 3hsq n GLU 40 N 4.56 2.48 -2.59 2.79 1.02 0.16 0.41 120.64 129.47 3hsq n GLU 40 Ca -0.18 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.66 3hsq n GLU 40 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.91 3hsq n GLU 40 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3hsq s GLY 41 N -0.20 1.87 -1.29 0.62 0.00 -1.26 -2.65 107.32 104.40 3hsq s GLY 41 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.58 3hsq s GLY 41 CO 0.00 0.07 0.00 1.42 0.00 0.00 0.00 173.10 174.59 3hsq n HIS 42 N -1.69 -0.23 -2.71 1.90 8.25 -0.32 -1.97 115.22 118.45 3hsq n HIS 42 Ca 0.04 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.11 3hsq n HIS 42 Cb 0.54 -2.56 -0.06 0.00 1.12 0.00 0.00 29.99 29.04 3hsq n HIS 42 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hsq s VAL 43 N -1.97 4.04 -0.15 1.59 1.01 -1.26 -3.54 120.40 120.12 3hsq s VAL 43 Ca 0.00 1.80 0.02 0.00 0.00 0.00 0.00 61.98 63.80 3hsq s VAL 43 Cb 0.00 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.33 3hsq s VAL 43 CO 0.00 0.25 -0.19 -0.75 0.00 0.00 0.00 175.10 174.40 3hsq s LYS 44 N -1.81 3.09 -0.28 2.72 2.20 -0.52 -0.37 119.74 124.78 3hsq s LYS 44 Ca 0.48 -0.82 -0.03 0.00 -0.36 0.00 0.00 55.97 55.24 3hsq s LYS 44 Cb -0.22 -2.51 0.03 0.00 -1.51 0.00 0.00 37.83 33.61 3hsq s LYS 44 CO 0.28 -0.01 -0.00 0.42 -0.36 0.00 0.00 175.35 175.68 3hsq s ILE 45 N 0.83 3.22 0.41 5.43 -1.09 0.48 -0.52 121.20 129.97 3hsq s ILE 45 Ca -0.06 -1.02 -0.06 0.00 -2.23 0.00 0.00 60.65 57.27 3hsq s ILE 45 Cb -0.15 -2.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.98 3hsq s ILE 45 CO -0.02 0.09 0.72 0.00 -1.23 0.00 0.00 174.94 174.50 3hsq n ALA 47 N -1.67 -0.88 0.00 0.00 0.00 -1.25 -2.27 120.51 114.44 3hsq n ALA 47 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3hsq n ALA 47 Cb 0.55 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.94 3hsq n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hsq n GLY 48 N 2.32 0.51 3.70 0.00 0.00 0.52 -4.87 105.19 107.37 3hsq n GLY 48 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3hsq n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hsq s SER 49 N -2.67 7.03 -0.29 1.61 0.01 -0.96 -1.31 113.70 117.12 3hsq s SER 49 Ca 0.00 1.26 0.01 0.00 1.31 0.00 0.00 55.95 58.53 3hsq s SER 49 Cb 0.00 -2.45 0.09 0.00 0.21 0.00 0.00 66.02 63.86 3hsq s SER 49 CO 0.00 -0.24 0.03 -1.61 0.41 0.00 0.00 173.24 171.83 3hsq s GLU 50 N 1.31 1.26 -0.11 12.44 2.02 0.52 -1.55 118.70 134.58 3hsq s GLU 50 Ca 0.40 -1.29 0.01 0.00 0.02 0.00 0.00 54.97 54.10 3hsq s GLU 50 Cb -0.18 -2.58 -0.02 0.00 0.10 0.00 0.00 34.13 31.46 3hsq s GLU 50 CO 0.18 -0.84 -0.14 0.42 0.02 0.00 0.00 175.26 174.90 3hsq s ILE 51 N 1.32 3.02 0.00 -1.63 1.01 0.91 -0.49 121.20 125.34 3hsq s ILE 51 Ca 0.05 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3hsq s ILE 51 Cb -0.18 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.04 3hsq s ILE 51 CO -0.13 0.54 0.00 0.61 0.00 0.00 0.00 174.94 175.96 3hsq n GLY 52 N 3.28 0.96 3.91 6.18 0.00 -0.10 -1.00 105.19 118.41 3hsq n GLY 52 Ca -0.18 -1.47 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 3hsq n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hsq s LYS 53 N 0.23 3.46 -1.48 1.61 1.02 -1.25 -2.80 119.74 120.53 3hsq s LYS 53 Ca 0.00 -0.31 -0.12 0.00 0.02 0.00 0.00 55.97 55.56 3hsq s LYS 53 Cb 0.00 -3.07 0.07 0.00 -0.52 0.00 0.00 37.83 34.31 3hsq s LYS 53 CO 0.00 0.65 0.87 1.19 -0.92 0.00 0.00 175.35 177.14 3hsq n PHE 54 N 0.77 -2.23 -3.28 3.18 3.01 0.11 -0.86 117.46 118.15 3hsq n PHE 54 Ca -0.09 0.79 -0.33 0.00 1.01 0.00 0.00 57.45 58.83 3hsq n PHE 54 Cb 0.52 -3.97 -0.06 0.00 -0.01 0.00 0.00 39.48 35.96 3hsq n PHE 54 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3hsq s ASN 55 N -3.12 6.74 -0.11 4.37 0.01 -1.26 -2.96 114.94 118.60 3hsq s ASN 55 Ca 0.57 1.11 0.04 0.00 -0.71 0.00 0.00 52.86 53.87 3hsq s ASN 55 Cb -0.28 -2.30 0.00 0.00 0.41 0.00 0.00 41.25 39.08 3hsq s ASN 55 CO 0.70 -0.09 -0.23 -0.60 -1.51 0.00 0.00 177.10 175.37 3hsq s ARG 56 N -2.71 3.05 -0.28 -0.60 3.52 -0.14 -0.91 118.95 120.88 3hsq s ARG 56 Ca 0.48 -0.87 -0.00 0.00 -0.13 0.00 0.00 55.73 55.21 3hsq s ARG 56 Cb -0.12 -2.34 0.05 0.00 -1.56 0.00 0.00 34.95 30.98 3hsq s ARG 56 CO 0.19 0.13 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.71 3hsq s PHE 57 N 0.46 3.24 0.69 5.12 0.40 -0.10 -0.32 117.98 127.47 3hsq s PHE 57 Ca -0.16 -1.97 -0.11 0.00 -0.60 0.00 0.00 56.93 54.09 3hsq s PHE 57 Cb -0.17 -2.05 0.01 0.00 0.51 0.00 0.00 43.02 41.32 3hsq s PHE 57 CO 0.06 -0.82 1.07 -1.01 0.70 0.00 0.00 175.22 175.22 3hsq s HIS 58 N 1.22 3.30 -0.23 0.36 3.76 0.88 -0.67 115.29 123.90 3hsq s HIS 58 Ca -0.06 1.21 -0.43 0.00 -0.15 0.00 0.00 55.06 55.63 3hsq s HIS 58 Cb -0.19 -2.93 -0.20 0.00 1.11 0.00 0.00 32.58 30.36 3hsq s HIS 58 CO -0.03 -1.14 1.31 0.94 -0.85 0.00 0.00 174.74 174.98 3hsq n GLN 59 N -3.02 0.00 -0.99 1.40 7.27 -1.26 -1.98 117.38 118.80 3hsq n GLN 59 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 3hsq n GLN 59 Cb 0.55 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.70 3hsq n GLN 59 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hsq n GLY 60 N 2.63 0.91 3.77 1.69 0.00 -0.83 -2.37 105.19 110.99 3hsq n GLY 60 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 3hsq n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsq s ALA 61 N -3.64 3.42 -0.11 4.61 0.00 -0.84 -3.73 121.76 121.47 3hsq s ALA 61 Ca 0.00 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.41 3hsq s ALA 61 Cb 0.00 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.58 3hsq s ALA 61 CO 0.00 -1.00 -0.10 0.14 0.00 0.00 0.00 175.76 174.80 3hsq s VAL 62 N -1.17 1.16 -0.12 0.00 -7.23 -0.31 -1.45 120.40 111.28 3hsq s VAL 62 Ca 0.55 -0.41 0.02 0.00 -1.81 0.00 0.00 61.98 60.34 3hsq s VAL 62 Cb -0.43 -1.13 0.01 0.00 0.56 0.00 0.00 36.38 35.39 3hsq s VAL 62 CO 0.57 0.38 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.93 3hsq s ILE 63 N 1.39 1.82 0.00 -0.62 -1.09 0.32 -0.85 121.20 122.17 3hsq s ILE 63 Ca -0.00 -0.84 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 3hsq s ILE 63 Cb -0.13 -1.63 0.00 0.00 -1.58 0.00 0.00 42.46 39.12 3hsq s ILE 63 CO -0.05 0.50 0.00 0.61 -1.23 0.00 0.00 174.94 174.77 3hsq n GLY 64 N 4.10 0.44 3.77 6.18 0.00 0.13 -0.35 105.19 119.46 3hsq n GLY 64 Ca -0.20 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 3hsq n GLY 64 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hsq s VAL 65 N -2.00 3.28 0.27 1.61 -7.23 -1.00 -4.29 120.40 111.04 3hsq s VAL 65 Ca 0.00 0.61 -0.28 0.00 -1.81 0.00 0.00 61.98 60.50 3hsq s VAL 65 Cb 0.00 -3.14 -0.15 0.00 0.56 0.00 0.00 36.38 33.66 3hsq s VAL 65 CO 0.00 -0.35 0.86 0.23 -0.31 0.00 0.00 175.10 175.53 3hsq n MET 66 N -2.30 0.96 -1.71 4.82 2.81 -1.26 -1.77 117.12 118.67 3hsq n MET 66 Ca 0.10 0.34 -0.39 0.00 -1.81 0.00 0.00 57.70 55.94 3hsq n MET 66 Cb 0.52 -1.61 0.04 0.00 -0.71 0.00 0.00 33.22 31.46 3hsq n MET 66 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 3hsq n PRO 67 N 0.79 1.59 -2.16 0.03 -0.02 -1.26 -4.75 135.00 129.21 3hsq n PRO 67 Ca 0.12 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.78 3hsq n PRO 67 Cb 0.30 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 3hsq n PRO 67 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hsq n GLN 68 N -0.78 4.65 -3.80 -0.52 6.02 -1.26 -4.83 117.38 116.85 3hsq n GLN 68 Ca 0.10 -3.71 -0.24 0.00 -0.01 0.00 0.00 57.00 53.15 3hsq n GLN 68 Cb 0.44 -2.63 -0.17 0.00 1.02 0.00 0.00 30.24 28.90 3hsq n GLN 68 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3hsq s ASP 69 N 0.06 1.68 0.38 1.08 3.68 -1.26 -5.04 116.67 117.25 3hsq s ASP 69 Ca 0.49 -0.12 0.17 0.00 2.13 0.00 0.00 52.55 55.22 3hsq s ASP 69 Cb 0.17 -0.51 0.76 0.00 -1.45 0.00 0.00 42.92 41.89 3hsq s ASP 69 CO -0.08 -0.18 1.80 -0.07 0.13 0.00 0.00 175.17 176.76 3hsq h LEU 70 N 8.29 0.00 -0.43 -1.34 3.38 -2.04 -2.92 115.31 120.25 3hsq h LEU 70 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3hsq h LEU 70 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3hsq h LEU 70 CO 0.29 0.37 -0.07 0.61 0.09 0.00 0.00 178.44 179.72 3hsq n GLY 71 N -0.11 -0.64 3.71 0.83 0.00 -1.26 -4.90 105.19 102.83 3hsq n GLY 71 Ca -0.01 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3hsq n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hsq s PHE 72 N -2.25 3.43 -0.63 1.61 5.36 -1.10 -4.99 117.98 119.42 3hsq s PHE 72 Ca 0.35 1.29 -0.28 0.00 -0.96 0.00 0.00 56.93 57.33 3hsq s PHE 72 Cb 0.21 -3.43 0.02 0.00 -0.34 0.00 0.00 43.02 39.48 3hsq s PHE 72 CO 0.42 -1.32 1.31 1.21 -1.46 0.00 0.00 175.22 175.38 3hsq s ASN 73 N 1.04 6.22 0.00 6.13 2.47 -1.26 -4.90 114.94 124.64 3hsq s ASN 73 Ca 0.59 -0.01 0.07 0.00 0.42 0.00 0.00 52.86 53.93 3hsq s ASN 73 Cb -0.30 -2.55 0.32 0.00 -1.45 0.00 0.00 41.25 37.27 3hsq s ASN 73 CO 0.29 -1.69 1.17 0.00 -3.72 0.00 0.00 177.10 173.14 3hsq n GLN 74 N 8.83 0.04 0.19 0.43 6.02 -1.26 -2.50 117.38 129.13 3hsq n GLN 74 Ca 0.08 0.32 0.13 0.00 -0.01 0.00 0.00 57.00 57.52 3hsq n GLN 74 Cb 0.49 -1.50 0.32 0.00 1.02 0.00 0.00 30.24 30.57 3hsq n GLN 74 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3hsq h GLN 75 N 0.00 0.00 -6.79 -1.09 1.08 -2.03 -3.47 115.11 102.81 3hsq h GLN 75 Ca 0.00 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.70 3hsq h GLN 75 Cb 0.10 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.54 3hsq h GLN 75 CO 0.00 0.00 0.45 -0.51 -0.95 0.00 0.00 178.83 177.82 3hsq s LEU 76 N -5.64 4.57 -0.98 1.46 1.43 -1.04 -4.98 118.68 113.51 3hsq s LEU 76 Ca 0.07 2.19 -0.21 0.00 -1.03 0.00 0.00 54.13 55.15 3hsq s LEU 76 Cb 0.08 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 42.76 3hsq s LEU 76 CO 0.62 -0.08 1.31 -0.22 0.23 0.00 0.00 176.35 178.21 3hsq s LEU 77 N -1.33 4.15 0.37 1.79 2.96 -1.26 -4.99 118.68 120.37 3hsq s LEU 77 Ca 0.44 -1.69 0.07 0.00 -0.22 0.00 0.00 54.13 52.74 3hsq s LEU 77 Cb -0.30 -2.50 -0.02 0.00 0.50 0.00 0.00 46.19 43.87 3hsq s LEU 77 CO 0.39 -1.33 0.37 0.42 -1.32 0.00 0.00 176.35 174.88 3hsq s THR 78 N 4.02 3.30 0.18 3.68 -4.23 -1.26 -4.73 115.64 116.60 3hsq s THR 78 Ca 0.40 -1.27 0.07 0.00 -1.18 0.00 0.00 61.69 59.70 3hsq s THR 78 Cb -0.02 -3.14 -0.05 0.00 1.34 0.00 0.00 72.50 70.63 3hsq s THR 78 CO -0.09 -0.10 -0.13 -0.54 -0.54 0.00 0.00 174.62 173.21 3hsq s LYS 79 N -4.09 1.23 -0.16 3.99 1.02 -1.26 -4.41 119.74 116.06 3hsq s LYS 79 Ca 0.45 -1.52 -0.00 0.00 0.02 0.00 0.00 55.97 54.91 3hsq s LYS 79 Cb -0.06 -0.97 0.04 0.00 -0.52 0.00 0.00 37.83 36.32 3hsq s LYS 79 CO 0.28 0.16 -0.07 0.99 -0.92 0.00 0.00 175.35 175.79 3hsq s THR 80 N -3.00 1.18 -0.26 2.17 2.01 -0.43 -1.88 115.64 115.43 3hsq s THR 80 Ca 0.20 -0.60 -0.07 0.00 0.31 0.00 0.00 61.69 61.53 3hsq s THR 80 Cb -0.00 -1.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.20 3hsq s THR 80 CO 0.05 0.20 0.06 -0.69 -0.69 0.00 0.00 174.62 173.55 3hsq s VAL 81 N 1.61 4.05 -0.09 3.82 1.01 0.80 -0.36 120.40 131.25 3hsq s VAL 81 Ca 0.02 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3hsq s VAL 81 Cb -0.15 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.29 3hsq s VAL 81 CO -0.08 0.27 -0.19 -0.63 0.00 0.00 0.00 175.10 174.47 3hsq s ILE 82 N 1.56 1.70 0.00 2.22 1.01 0.35 -0.24 121.20 127.79 3hsq s ILE 82 Ca 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.90 3hsq s ILE 82 Cb -0.16 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.82 3hsq s ILE 82 CO 0.02 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.05 3hsq n GLY 83 N 3.66 0.75 3.69 6.18 0.00 -0.38 -0.92 105.19 118.17 3hsq n GLY 83 Ca -0.20 -1.18 -0.25 0.00 0.00 0.00 0.00 46.02 44.39 3hsq n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hsq s ASP 84 N -1.03 4.84 -1.93 1.61 1.01 -1.24 -2.37 116.67 117.56 3hsq s ASP 84 Ca 0.00 -0.44 0.00 0.00 0.71 0.00 0.00 52.55 52.82 3hsq s ASP 84 Cb 0.00 -1.04 0.00 0.00 1.01 0.00 0.00 42.92 42.89 3hsq s ASP 84 CO 0.00 0.04 0.00 1.41 0.21 0.00 0.00 175.17 176.83 3hsq n HIS 85 N -0.54 -0.41 -3.04 4.23 8.25 -0.04 -0.79 115.22 122.88 3hsq n HIS 85 Ca -0.08 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.05 3hsq n HIS 85 Cb 0.57 -3.48 -0.06 0.00 1.12 0.00 0.00 29.99 28.14 3hsq n HIS 85 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3hsq s ASN 86 N -2.45 6.80 -0.17 0.41 0.01 -1.26 -3.61 114.94 114.68 3hsq s ASN 86 Ca 0.00 1.38 0.00 0.00 -0.71 0.00 0.00 52.86 53.53 3hsq s ASN 86 Cb 0.00 -2.41 0.01 0.00 0.41 0.00 0.00 41.25 39.25 3hsq s ASN 86 CO 0.00 -0.25 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.54 3hsq s ILE 87 N -2.05 2.41 -0.35 0.60 1.01 0.01 -0.96 121.20 121.86 3hsq s ILE 87 Ca 0.56 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 3hsq s ILE 87 Cb -0.10 -2.02 0.07 0.00 0.01 0.00 0.00 42.46 40.42 3hsq s ILE 87 CO 0.17 0.52 0.09 -0.36 0.00 0.00 0.00 174.94 175.36 3hsq s PHE 88 N 1.11 3.38 1.12 3.97 0.40 0.56 -0.51 117.98 128.02 3hsq s PHE 88 Ca 0.00 -2.00 -0.19 0.00 -0.60 0.00 0.00 56.93 54.14 3hsq s PHE 88 Cb -0.14 -2.55 0.27 0.00 0.51 0.00 0.00 43.02 41.11 3hsq s PHE 88 CO -0.06 -0.85 1.15 0.54 0.70 0.00 0.00 175.22 176.69 3hsq n ARG 89 N 4.64 -2.49 -1.68 0.44 5.12 0.08 -0.09 116.66 122.68 3hsq n ARG 89 Ca -0.09 -1.81 -0.44 0.00 -1.93 0.00 0.00 57.85 53.59 3hsq n ARG 89 Cb 0.43 -1.51 -0.03 0.00 -1.16 0.00 0.00 32.46 30.18 3hsq n ARG 89 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3hsq n GLU 90 N -4.43 2.66 -1.21 5.56 4.71 -1.26 -2.24 120.64 124.43 3hsq n GLU 90 Ca 0.15 0.97 -0.07 0.00 -0.01 0.00 0.00 57.16 58.20 3hsq n GLU 90 Cb 0.57 -2.86 -0.03 0.00 -1.01 0.00 0.00 31.44 28.11 3hsq n GLU 90 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3hsq n TYR 91 N 6.15 0.00 -1.93 -0.32 4.02 -1.00 -1.09 117.16 122.99 3hsq n TYR 91 Ca 0.19 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.73 3hsq n TYR 91 Cb 0.36 -1.99 0.04 0.00 -0.02 0.00 0.00 39.34 37.73 3hsq n TYR 91 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3hsq s SER 92 N -2.42 5.15 -0.06 7.72 1.04 -0.95 -4.00 113.70 120.18 3hsq s SER 92 Ca 0.00 2.26 -0.03 0.00 0.48 0.00 0.00 55.95 58.66 3hsq s SER 92 Cb 0.00 -2.58 0.04 0.00 0.10 0.00 0.00 66.02 63.57 3hsq s SER 92 CO 0.00 -1.62 0.11 0.54 0.98 0.00 0.00 173.24 173.25 3hsq s ASN 93 N -1.89 0.90 -0.18 7.02 2.20 -0.41 -1.17 114.94 121.42 3hsq s ASN 93 Ca 0.74 0.20 -0.01 0.00 -0.94 0.00 0.00 52.86 52.85 3hsq s ASN 93 Cb -0.27 0.07 -0.00 0.00 -2.00 0.00 0.00 41.25 39.05 3hsq s ASN 93 CO 0.35 -0.24 -0.13 -0.63 -2.94 0.00 0.00 177.10 173.51 3hsq s ILE 94 N 2.18 2.79 0.00 0.54 -1.09 -0.03 -1.55 121.20 124.04 3hsq s ILE 94 Ca 0.03 -0.71 -0.08 0.00 -2.23 0.00 0.00 60.65 57.66 3hsq s ILE 94 Cb -0.12 -2.21 -0.05 0.00 -1.58 0.00 0.00 42.46 38.51 3hsq s ILE 94 CO -0.04 0.49 0.28 -1.00 -1.23 0.00 0.00 174.94 173.44 3hsq s HIS 95 N 1.05 3.60 0.93 3.97 3.76 -0.60 0.22 115.29 128.22 3hsq s HIS 95 Ca -0.01 0.64 -0.14 0.00 -0.15 0.00 0.00 55.06 55.40 3hsq s HIS 95 Cb -0.15 -2.03 0.16 0.00 1.11 0.00 0.00 32.58 31.67 3hsq s HIS 95 CO -0.03 0.62 1.20 -1.59 -0.85 0.00 0.00 174.74 174.09 3hsq s LYS 96 N -1.62 0.94 0.99 1.40 -2.85 -0.73 -4.38 119.74 113.49 3hsq s LYS 96 Ca 0.26 -0.02 -0.14 0.00 -1.00 0.00 0.00 55.97 55.07 3hsq s LYS 96 Cb -0.13 -1.84 0.19 0.00 -2.06 0.00 0.00 37.83 33.98 3hsq s LYS 96 CO 0.15 -2.28 1.16 0.20 0.10 0.00 0.00 175.35 174.68 3hsq s GLY 97 N -4.44 1.61 -0.01 0.59 0.00 -0.97 -4.05 107.32 100.06 3hsq s GLY 97 Ca 0.67 -0.71 0.16 0.00 0.00 0.00 0.00 44.72 44.84 3hsq s GLY 97 CO 0.52 -0.04 0.59 -1.30 0.00 0.00 0.00 173.10 172.87 3hsq n THR 98 N -4.03 0.00 -4.33 0.90 -2.24 -1.24 -4.64 114.28 98.70 3hsq n THR 98 Ca 0.09 -0.19 -0.19 0.00 -2.27 0.00 0.00 64.05 61.49 3hsq n THR 98 Cb 0.59 0.79 -0.10 0.00 -2.10 0.00 0.00 70.33 69.50 3hsq n THR 98 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hsq s LYS 99 N -2.64 1.28 0.46 -0.78 1.02 -1.26 -4.87 119.74 112.96 3hsq s LYS 99 Ca 0.03 -1.52 0.19 0.00 0.02 0.00 0.00 55.97 54.70 3hsq s LYS 99 Cb 0.11 -1.14 1.11 0.00 -0.52 0.00 0.00 37.83 37.40 3hsq s LYS 99 CO 0.65 0.20 1.98 0.93 -0.92 0.00 0.00 175.35 178.19 3hsq h GLU 100 N 2.80 0.00 -0.66 1.68 5.08 -1.94 -2.63 114.58 118.91 3hsq h GLU 100 Ca -0.39 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.64 3hsq h GLU 100 Cb 1.21 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.27 3hsq h GLU 100 CO 0.59 0.20 0.27 -0.40 -1.00 0.00 0.00 179.01 178.66 3hsq n ASP 101 N -3.98 3.15 -3.01 1.42 5.68 -1.26 -4.75 116.55 113.80 3hsq n ASP 101 Ca -0.02 -3.68 -0.16 0.00 -0.50 0.00 0.00 54.79 50.44 3hsq n ASP 101 Cb 0.28 -0.73 -0.02 0.00 -1.14 0.00 0.00 41.12 39.51 3hsq n ASP 101 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3hsq n SER 102 N -1.09 -1.62 -4.84 -1.12 2.88 -0.99 -5.14 113.62 101.69 3hsq n SER 102 Ca 0.46 -2.87 -0.30 0.00 -1.33 0.00 0.00 58.87 54.83 3hsq n SER 102 Cb 1.34 0.62 0.08 0.00 -0.75 0.00 0.00 64.21 65.49 3hsq n SER 102 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3hsq s PRO 103 N 0.04 2.31 -0.04 -1.46 0.04 -1.26 -3.62 135.00 131.00 3hsq s PRO 103 Ca 0.33 0.50 -0.27 0.00 0.04 0.00 0.00 61.00 61.60 3hsq s PRO 103 Cb 0.13 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 3hsq s PRO 103 CO -0.16 -1.43 0.84 0.99 0.04 0.00 0.00 177.00 177.28 3hsq s THR 104 N -3.28 4.95 -0.07 1.26 2.01 -0.79 -4.47 115.64 115.26 3hsq s THR 104 Ca 0.60 1.74 0.03 0.00 0.31 0.00 0.00 61.69 64.38 3hsq s THR 104 Cb -0.13 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.21 3hsq s THR 104 CO 0.53 0.19 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.79 3hsq s VAL 105 N 1.00 1.49 -0.06 3.82 1.01 -0.35 -0.14 120.40 127.16 3hsq s VAL 105 Ca 0.44 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.74 3hsq s VAL 105 Cb -0.19 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 34.89 3hsq s VAL 105 CO 0.22 0.43 -0.11 -0.63 0.00 0.00 0.00 175.10 175.02 3hsq s ILE 106 N 0.44 1.04 0.00 2.22 1.01 0.66 -0.45 121.20 126.12 3hsq s ILE 106 Ca -0.14 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.09 3hsq s ILE 106 Cb -0.16 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.35 3hsq s ILE 106 CO 0.05 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.94 3hsq n GLY 107 N 3.86 0.84 3.53 6.18 0.00 -0.78 -1.25 105.19 117.57 3hsq n GLY 107 Ca -0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 3hsq n GLY 107 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hsq s ASN 108 N -1.00 4.17 -1.85 1.61 0.01 -1.23 -2.51 114.94 114.14 3hsq s ASN 108 Ca 0.00 -0.37 0.00 0.00 -0.71 0.00 0.00 52.86 51.78 3hsq s ASN 108 Cb 0.00 -0.78 0.00 0.00 0.41 0.00 0.00 41.25 40.88 3hsq s ASN 108 CO 0.00 0.23 0.00 0.29 -1.51 0.00 0.00 177.10 176.11 3hsq n LYS 109 N 1.20 -1.65 -3.00 -0.60 5.02 0.03 -0.28 118.16 118.88 3hsq n LYS 109 Ca -0.15 1.05 -0.32 0.00 -2.02 0.00 0.00 58.31 56.86 3hsq n LYS 109 Cb 0.52 -5.67 -0.06 0.00 -0.02 0.00 0.00 35.03 29.80 3hsq n LYS 109 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hsq s ASN 110 N -2.15 6.81 -0.18 4.39 0.01 -1.26 -3.38 114.94 119.17 3hsq s ASN 110 Ca 0.00 1.41 0.01 0.00 -0.71 0.00 0.00 52.86 53.57 3hsq s ASN 110 Cb 0.00 -2.43 0.03 0.00 0.41 0.00 0.00 41.25 39.26 3hsq s ASN 110 CO 0.00 -0.28 -0.15 -0.47 -1.51 0.00 0.00 177.10 174.69 3hsq s TYR 111 N -2.08 2.52 -0.36 2.20 6.14 -0.01 -0.81 117.35 124.94 3hsq s TYR 111 Ca 0.57 -1.54 -0.05 0.00 0.64 0.00 0.00 57.07 56.69 3hsq s TYR 111 Cb -0.10 -1.74 0.07 0.00 0.42 0.00 0.00 41.96 40.60 3hsq s TYR 111 CO 0.17 -0.75 0.14 -0.06 0.64 0.00 0.00 175.55 175.68 3hsq s PHE 112 N 1.37 3.36 0.98 4.97 0.40 0.34 -1.42 117.98 127.98 3hsq s PHE 112 Ca 0.03 -1.80 -0.13 0.00 -0.60 0.00 0.00 56.93 54.42 3hsq s PHE 112 Cb -0.14 -2.61 0.18 0.00 0.51 0.00 0.00 43.02 40.95 3hsq s PHE 112 CO -0.11 -0.83 1.12 -1.64 0.70 0.00 0.00 175.22 174.46 3hsq s MET 113 N 1.30 0.55 0.12 0.44 -1.94 -0.10 -0.74 119.30 118.93 3hsq s MET 113 Ca 0.01 0.34 -0.35 0.00 -1.71 0.00 0.00 55.69 53.98 3hsq s MET 113 Cb -0.21 -1.77 -0.16 0.00 2.01 0.00 0.00 34.83 34.70 3hsq s MET 113 CO -0.00 -2.61 1.23 0.41 -0.01 0.00 0.00 175.02 174.04 3hsq n GLY 114 N -1.60 0.19 2.48 -0.03 0.00 -1.26 -1.90 105.19 103.07 3hsq n GLY 114 Ca 0.06 0.62 -0.18 0.00 0.00 0.00 0.00 46.02 46.53 3hsq n GLY 114 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hsq n ASN 115 N 2.22 -5.14 -4.88 1.61 4.13 -0.25 -1.03 115.26 111.92 3hsq n ASN 115 Ca 0.17 0.34 -0.30 0.00 1.68 0.00 0.00 54.58 56.48 3hsq n ASN 115 Cb 0.21 -4.20 0.00 0.00 -1.54 0.00 0.00 39.78 34.25 3hsq n ASN 115 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3hsq s SER 116 N -2.68 6.28 -0.02 6.41 1.04 -0.80 -3.91 113.70 120.03 3hsq s SER 116 Ca 0.00 1.21 0.01 0.00 0.48 0.00 0.00 55.95 57.65 3hsq s SER 116 Cb 0.00 -2.37 0.01 0.00 0.10 0.00 0.00 66.02 63.76 3hsq s SER 116 CO 0.00 -0.70 -0.03 -2.28 0.98 0.00 0.00 173.24 171.21 3hsq s HIS 117 N -2.92 0.46 -0.25 5.02 2.46 0.91 -1.28 115.29 119.69 3hsq s HIS 117 Ca 0.52 -0.08 0.01 0.00 0.47 0.00 0.00 55.06 55.98 3hsq s HIS 117 Cb -0.11 -0.42 0.04 0.00 -0.13 0.00 0.00 32.58 31.97 3hsq s HIS 117 CO 0.48 -0.10 -0.10 0.08 -2.47 0.00 0.00 174.74 172.63 3hsq s VAL 118 N 0.57 2.45 0.91 0.89 1.01 -0.59 -0.64 120.40 125.00 3hsq s VAL 118 Ca -0.06 -1.33 -0.12 0.00 0.00 0.00 0.00 61.98 60.47 3hsq s VAL 118 Cb -0.10 -2.32 0.14 0.00 0.00 0.00 0.00 36.38 34.11 3hsq s VAL 118 CO -0.01 0.12 1.10 -0.83 0.00 0.00 0.00 175.10 175.48 3hsq s GLY 119 N 1.21 1.59 0.27 4.51 0.00 0.21 -1.56 107.32 113.55 3hsq s GLY 119 Ca -0.04 -0.27 -0.30 0.00 0.00 0.00 0.00 44.72 44.11 3hsq s GLY 119 CO -0.06 0.26 1.47 -2.39 0.00 0.00 0.00 173.10 172.39 3hsq n HIS 120 N -3.87 2.46 -1.05 1.90 1.44 -1.26 -2.79 115.22 112.04 3hsq n HIS 120 Ca 0.06 0.37 -0.02 0.00 -2.01 0.00 0.00 57.72 56.13 3hsq n HIS 120 Cb 0.57 -2.51 -0.01 0.00 0.12 0.00 0.00 29.99 28.16 3hsq n HIS 120 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3hsq n ASP 121 N 2.01 -4.12 -4.76 4.39 8.00 -1.26 -1.30 116.55 119.51 3hsq n ASP 121 Ca 0.10 0.04 -0.38 0.00 0.71 0.00 0.00 54.79 55.26 3hsq n ASP 121 Cb 0.34 -1.77 0.01 0.00 -0.02 0.00 0.00 41.12 39.68 3hsq n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hsq s ILE 123 N -1.44 1.74 -0.02 0.00 -1.09 -0.85 -1.21 121.20 118.34 3hsq s ILE 123 Ca 0.67 -0.75 0.07 0.00 -2.23 0.00 0.00 60.65 58.41 3hsq s ILE 123 Cb -0.34 -1.60 -0.02 0.00 -1.58 0.00 0.00 42.46 38.92 3hsq s ILE 123 CO 0.40 0.49 -0.23 -0.76 -1.23 0.00 0.00 174.94 173.61 3hsq s LEU 124 N 1.30 2.05 0.00 2.97 1.02 0.40 -0.49 118.68 125.93 3hsq s LEU 124 Ca 0.02 -0.42 0.00 0.00 0.02 0.00 0.00 54.13 53.75 3hsq s LEU 124 Cb -0.13 -1.18 0.00 0.00 0.02 0.00 0.00 46.19 44.90 3hsq s LEU 124 CO -0.09 0.28 0.00 0.61 0.02 0.00 0.00 176.35 177.17 3hsq n GLY 125 N 2.49 0.79 3.59 -3.19 0.00 -0.59 -1.86 105.19 106.43 3hsq n GLY 125 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 3hsq n GLY 125 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hsq s ASN 126 N -1.00 4.52 -1.43 1.61 0.01 -1.22 -2.46 114.94 114.98 3hsq s ASN 126 Ca 0.00 -0.30 0.00 0.00 -0.71 0.00 0.00 52.86 51.85 3hsq s ASN 126 Cb 0.00 -0.94 0.00 0.00 0.41 0.00 0.00 41.25 40.72 3hsq s ASN 126 CO 0.00 0.20 0.00 0.59 -1.51 0.00 0.00 177.10 176.38 3hsq n ASN 127 N 0.89 -4.69 -4.85 -1.22 3.02 0.61 -0.96 115.26 108.06 3hsq n ASN 127 Ca -0.13 0.33 -0.32 0.00 -0.03 0.00 0.00 54.58 54.43 3hsq n ASN 127 Cb 0.52 -3.37 -0.02 0.00 -0.61 0.00 0.00 39.78 36.30 3hsq n ASN 127 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3hsq s ASN 128 N -2.82 6.48 -0.07 6.41 0.01 -1.26 -3.68 114.94 120.00 3hsq s ASN 128 Ca 0.00 1.52 0.02 0.00 -0.71 0.00 0.00 52.86 53.69 3hsq s ASN 128 Cb 0.00 -2.49 0.01 0.00 0.41 0.00 0.00 41.25 39.18 3hsq s ASN 128 CO 0.00 -0.69 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.15 3hsq s ILE 129 N -2.82 1.13 -0.21 0.60 1.01 -0.68 -0.83 121.20 119.39 3hsq s ILE 129 Ca 0.58 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.72 3hsq s ILE 129 Cb -0.10 -1.04 -0.01 0.00 0.01 0.00 0.00 42.46 41.32 3hsq s ILE 129 CO 0.39 0.36 -0.05 -0.76 0.00 0.00 0.00 174.94 174.88 3hsq s LEU 130 N 0.70 2.90 0.00 2.97 1.43 -0.51 -0.61 118.68 125.57 3hsq s LEU 130 Ca -0.14 -0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 52.52 3hsq s LEU 130 Cb -0.16 -1.73 0.10 0.00 0.03 0.00 0.00 46.19 44.43 3hsq s LEU 130 CO 0.03 0.00 0.51 0.35 0.23 0.00 0.00 176.35 177.48 3hsq n THR 131 N 4.64 0.00 -1.75 5.49 -2.24 -0.33 -0.93 114.28 119.16 3hsq n THR 131 Ca -0.18 -0.34 -0.42 0.00 -2.27 0.00 0.00 64.05 60.84 3hsq n THR 131 Cb 0.51 -1.60 -0.03 0.00 -2.10 0.00 0.00 70.33 67.11 3hsq n THR 131 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3hsq s HIS 132 N -2.07 2.39 0.00 4.78 2.46 -1.26 -1.60 115.29 119.99 3hsq s HIS 132 Ca 0.30 0.12 0.00 0.00 0.47 0.00 0.00 55.06 55.95 3hsq s HIS 132 Cb -0.01 -4.14 0.00 0.00 -0.13 0.00 0.00 32.58 28.30 3hsq s HIS 132 CO 0.22 -4.58 0.00 0.41 -2.47 0.00 0.00 174.74 168.32 3hsq n GLY 133 N 4.13 0.30 3.76 1.59 0.00 -0.19 -4.34 105.19 110.44 3hsq n GLY 133 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3hsq n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsq s ALA 134 N -1.63 3.56 -0.13 4.61 0.00 -0.62 -4.56 121.76 123.00 3hsq s ALA 134 Ca 0.00 1.32 0.02 0.00 0.00 0.00 0.00 51.96 53.30 3hsq s ALA 134 Cb 0.00 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.60 3hsq s ALA 134 CO 0.00 -0.73 -0.19 0.08 0.00 0.00 0.00 175.76 174.92 3hsq s VAL 135 N -0.61 1.84 -0.24 0.00 1.01 -1.26 -0.06 120.40 121.07 3hsq s VAL 135 Ca 0.54 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 3hsq s VAL 135 Cb -0.41 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 3hsq s VAL 135 CO 0.49 0.51 0.01 -0.76 0.00 0.00 0.00 175.10 175.36 3hsq s LEU 136 N 0.87 3.23 0.99 3.92 1.43 0.19 -4.60 118.68 124.71 3hsq s LEU 136 Ca -0.07 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 3hsq s LEU 136 Cb -0.15 -1.82 0.19 0.00 0.03 0.00 0.00 46.19 44.44 3hsq s LEU 136 CO -0.02 -0.05 1.11 0.00 0.23 0.00 0.00 176.35 177.62 3hsq s ALA 137 N 1.52 0.89 0.67 4.21 0.00 -1.26 -0.62 121.76 127.17 3hsq s ALA 137 Ca 0.05 0.40 -0.17 0.00 0.00 0.00 0.00 51.96 52.25 3hsq s ALA 137 Cb -0.15 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 3hsq s ALA 137 CO -0.00 -3.11 0.97 0.41 0.00 0.00 0.00 175.76 174.03 3hsq n GLY 138 N 0.43 -0.37 2.67 0.00 0.00 -1.26 -3.52 105.19 103.13 3hsq n GLY 138 Ca 0.09 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 3hsq n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hsq n HIS 139 N -2.20 -1.42 -4.06 1.61 8.25 -0.42 -4.14 115.22 112.84 3hsq n HIS 139 Ca 0.13 0.26 -0.36 0.00 -0.26 0.00 0.00 57.72 57.50 3hsq n HIS 139 Cb 0.49 -4.07 -0.08 0.00 1.12 0.00 0.00 29.99 27.45 3hsq n HIS 139 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3hsq s VAL 140 N -3.07 5.01 -0.18 1.59 1.01 -1.23 -0.77 120.40 122.77 3hsq s VAL 140 Ca 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 3hsq s VAL 140 Cb -0.07 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.13 3hsq s VAL 140 CO 0.19 0.59 -0.10 -0.89 0.00 0.00 0.00 175.10 174.88 3hsq s THR 141 N -0.76 3.04 -0.08 3.92 2.01 -0.58 -2.00 115.64 121.19 3hsq s THR 141 Ca 0.13 -0.63 -0.00 0.00 0.31 0.00 0.00 61.69 61.50 3hsq s THR 141 Cb -0.12 -2.33 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 3hsq s THR 141 CO 0.03 0.48 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.64 3hsq s LEU 142 N 1.02 3.34 0.00 4.42 1.02 0.36 0.17 118.68 129.01 3hsq s LEU 142 Ca -0.01 0.04 0.00 0.00 0.02 0.00 0.00 54.13 54.19 3hsq s LEU 142 Cb -0.15 -1.74 0.00 0.00 0.02 0.00 0.00 46.19 44.32 3hsq s LEU 142 CO -0.01 0.36 0.00 0.61 0.02 0.00 0.00 176.35 177.33 3hsq n GLY 143 N 2.24 -0.09 3.34 -3.19 0.00 -0.49 -2.03 105.19 104.96 3hsq n GLY 143 Ca -0.18 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 3hsq n GLY 143 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hsq s ASN 144 N -1.24 2.97 -1.61 1.61 0.01 -1.26 -1.54 114.94 113.88 3hsq s ASN 144 Ca 0.00 -0.68 0.00 0.00 -0.71 0.00 0.00 52.86 51.47 3hsq s ASN 144 Cb 0.00 -0.21 0.00 0.00 0.41 0.00 0.00 41.25 41.45 3hsq s ASN 144 CO 0.00 0.16 0.00 0.49 -1.51 0.00 0.00 177.10 176.24 3hsq n PHE 145 N 1.22 -0.95 -2.60 2.20 3.72 -0.13 -1.23 117.46 119.69 3hsq n PHE 145 Ca -0.18 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.91 3hsq n PHE 145 Cb 0.53 -3.49 -0.03 0.00 -0.94 0.00 0.00 39.48 35.55 3hsq n PHE 145 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hsq s ALA 146 N -2.83 3.21 -0.16 4.37 0.00 -1.26 -3.26 121.76 121.83 3hsq s ALA 146 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 51.96 51.93 3hsq s ALA 146 Cb 0.00 -2.91 0.04 0.00 0.00 0.00 0.00 23.12 20.25 3hsq s ALA 146 CO 0.00 -0.15 -0.06 0.12 0.00 0.00 0.00 175.76 175.67 3hsq s PHE 147 N -2.53 1.69 -0.29 0.00 5.36 0.25 -1.69 117.98 120.76 3hsq s PHE 147 Ca 0.55 -1.03 -0.05 0.00 -0.96 0.00 0.00 56.93 55.44 3hsq s PHE 147 Cb -0.10 -1.31 0.02 0.00 -0.34 0.00 0.00 43.02 41.29 3hsq s PHE 147 CO 0.32 -0.60 0.04 0.42 -1.46 0.00 0.00 175.22 173.95 3hsq s ILE 148 N 1.64 3.61 0.66 3.12 -1.09 0.22 -1.09 121.20 128.27 3hsq s ILE 148 Ca 0.02 -0.88 -0.11 0.00 -2.23 0.00 0.00 60.65 57.45 3hsq s ILE 148 Cb -0.15 -2.90 -0.02 0.00 -1.58 0.00 0.00 42.46 37.82 3hsq s ILE 148 CO -0.08 0.06 1.05 -0.44 -1.23 0.00 0.00 174.94 174.30 3hsq s SER 149 N 1.43 5.81 0.96 3.58 0.01 -0.80 -1.19 113.70 123.50 3hsq s SER 149 Ca 0.01 1.48 -0.11 0.00 1.31 0.00 0.00 55.95 58.63 3hsq s SER 149 Cb -0.18 -2.44 0.17 0.00 0.21 0.00 0.00 66.02 63.79 3hsq s SER 149 CO 0.01 -1.15 1.09 -0.83 0.41 0.00 0.00 173.24 172.77 3hsq s GLY 150 N -4.03 1.62 -1.53 3.44 0.00 -1.26 -3.81 107.32 101.76 3hsq s GLY 150 Ca 0.57 0.15 -0.06 0.00 0.00 0.00 0.00 44.72 45.37 3hsq s GLY 150 CO 0.54 0.66 0.70 1.04 0.00 0.00 0.00 173.10 176.05 3hsq n LEU 151 N -4.24 -2.76 -4.27 0.66 4.77 -1.26 -3.89 117.00 106.01 3hsq n LEU 151 Ca 0.08 -0.34 -0.32 0.00 -0.03 0.00 0.00 56.01 55.40 3hsq n LEU 151 Cb 0.54 -2.96 -0.16 0.00 -2.33 0.00 0.00 43.42 38.51 3hsq n LEU 151 CO 0.54 0.30 -0.53 -0.69 -1.33 0.00 0.00 177.39 175.68 3hsq s VAL 152 N -3.20 2.33 -0.23 4.08 1.01 -1.25 -0.95 120.40 122.19 3hsq s VAL 152 Ca 0.36 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 3hsq s VAL 152 Cb -0.16 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 3hsq s VAL 152 CO 0.44 0.55 0.06 0.00 0.00 0.00 0.00 175.10 176.15 3hsq s ALA 153 N 0.23 3.16 -0.15 5.51 0.00 -0.73 -4.43 121.76 125.36 3hsq s ALA 153 Ca -0.14 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 50.74 3hsq s ALA 153 Cb -0.17 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.93 3hsq s ALA 153 CO 0.07 -0.35 -0.06 0.08 0.00 0.00 0.00 175.76 175.50 3hsq s VAL 154 N 1.36 3.62 0.33 0.00 1.01 -1.26 -0.04 120.40 125.42 3hsq s VAL 154 Ca 0.05 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 3hsq s VAL 154 Cb -0.15 -2.57 -0.10 0.00 0.00 0.00 0.00 36.38 33.56 3hsq s VAL 154 CO 0.03 0.50 1.32 -2.28 0.00 0.00 0.00 175.10 174.67 3hsq s HIS 155 N 0.41 3.03 0.32 5.22 2.46 0.14 -4.33 115.29 122.54 3hsq s HIS 155 Ca -0.06 1.40 -0.26 0.00 0.47 0.00 0.00 55.06 56.61 3hsq s HIS 155 Cb -0.15 -3.70 -0.14 0.00 -0.13 0.00 0.00 32.58 28.47 3hsq s HIS 155 CO 0.04 -1.92 0.78 1.04 -2.47 0.00 0.00 174.74 172.21 3hsq n GLN 156 N 0.81 0.87 -1.02 2.88 6.02 -1.26 -2.58 117.38 123.09 3hsq n GLN 156 Ca 0.00 0.31 -0.01 0.00 -0.01 0.00 0.00 57.00 57.29 3hsq n GLN 156 Cb 0.42 -1.60 -0.00 0.00 1.02 0.00 0.00 30.24 30.07 3hsq n GLN 156 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3hsq n PHE 157 N -0.20 0.00 -2.97 1.08 3.72 0.05 -4.99 117.46 114.16 3hsq n PHE 157 Ca 0.12 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.18 3hsq n PHE 157 Cb 0.34 -0.68 -0.06 0.00 -0.94 0.00 0.00 39.48 38.13 3hsq n PHE 157 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hsq s PHE 159 N -1.94 2.95 -0.25 0.00 0.40 -1.26 -1.52 117.98 116.35 3hsq s PHE 159 Ca 0.55 0.03 -0.03 0.00 -0.60 0.00 0.00 56.93 56.88 3hsq s PHE 159 Cb -0.12 -1.70 0.02 0.00 0.51 0.00 0.00 43.02 41.73 3hsq s PHE 159 CO 0.17 0.35 -0.04 0.08 0.70 0.00 0.00 175.22 176.48 3hsq s VAL 160 N -0.85 3.14 0.87 -0.44 1.01 0.13 -0.98 120.40 123.28 3hsq s VAL 160 Ca 0.13 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 3hsq s VAL 160 Cb -0.11 -2.56 0.11 0.00 0.00 0.00 0.00 36.38 33.83 3hsq s VAL 160 CO 0.03 0.23 1.09 -0.83 0.00 0.00 0.00 175.10 175.62 3hsq s GLY 161 N 1.38 1.63 0.36 4.51 0.00 0.75 -1.40 107.32 114.56 3hsq s GLY 161 Ca 0.02 0.04 -0.26 0.00 0.00 0.00 0.00 44.72 44.52 3hsq s GLY 161 CO -0.03 0.49 1.12 1.22 0.00 0.00 0.00 173.10 175.90 3hsq n ASP 162 N -3.82 1.85 -1.86 1.64 9.92 -1.26 -2.74 116.55 120.28 3hsq n ASP 162 Ca 0.08 1.13 -0.17 0.00 -0.53 0.00 0.00 54.79 55.29 3hsq n ASP 162 Cb 0.55 -1.39 -0.05 0.00 -0.64 0.00 0.00 41.12 39.59 3hsq n ASP 162 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3hsq n TYR 163 N -0.03 -0.56 -3.34 1.24 4.02 -0.37 -0.37 117.16 117.76 3hsq n TYR 163 Ca 0.08 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.74 3hsq n TYR 163 Cb 0.36 -3.23 -0.01 0.00 -0.02 0.00 0.00 39.34 36.45 3hsq n TYR 163 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3hsq s SER 164 N -2.31 6.15 -0.04 7.72 1.04 -1.11 -3.88 113.70 121.28 3hsq s SER 164 Ca 0.00 0.32 0.02 0.00 0.48 0.00 0.00 55.95 56.77 3hsq s SER 164 Cb 0.00 -1.82 0.01 0.00 0.10 0.00 0.00 66.02 64.31 3hsq s SER 164 CO 0.00 -0.39 -0.08 -0.32 0.98 0.00 0.00 173.24 173.43 3hsq s MET 165 N -4.34 1.06 -0.29 4.02 1.75 0.31 -0.58 119.30 121.23 3hsq s MET 165 Ca 0.42 -0.26 -0.05 0.00 -1.25 0.00 0.00 55.69 54.55 3hsq s MET 165 Cb -0.10 -0.97 0.02 0.00 2.84 0.00 0.00 34.83 36.62 3hsq s MET 165 CO 0.35 0.03 0.05 0.08 -0.65 0.00 0.00 175.02 174.89 3hsq s VAL 166 N 0.51 3.64 0.69 10.11 1.01 -0.25 -0.50 120.40 135.61 3hsq s VAL 166 Ca -0.08 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 3hsq s VAL 166 Cb -0.12 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.35 3hsq s VAL 166 CO 0.01 0.06 1.06 0.00 0.00 0.00 0.00 175.10 176.22 3hsq s ALA 167 N 1.43 2.74 0.63 5.51 0.00 -0.60 -1.90 121.76 129.58 3hsq s ALA 167 Ca 0.01 0.05 -0.18 0.00 0.00 0.00 0.00 51.96 51.84 3hsq s ALA 167 Cb -0.18 -3.16 -0.01 0.00 0.00 0.00 0.00 23.12 19.77 3hsq s ALA 167 CO 0.01 -1.15 1.23 0.20 0.00 0.00 0.00 175.76 176.05 3hsq s GLY 168 N -3.86 2.71 -0.95 0.00 0.00 -1.26 -3.66 107.32 100.31 3hsq s GLY 168 Ca 0.58 1.05 -0.06 0.00 0.00 0.00 0.00 44.72 46.29 3hsq s GLY 168 CO 0.55 1.45 0.74 1.04 0.00 0.00 0.00 173.10 176.88 3hsq n LEU 169 N -1.89 -2.84 -4.37 0.66 4.77 -0.13 -4.72 117.00 108.48 3hsq n LEU 169 Ca 0.14 -0.34 -0.31 0.00 -0.03 0.00 0.00 56.01 55.48 3hsq n LEU 169 Cb 0.49 -2.22 -0.15 0.00 -2.33 0.00 0.00 43.42 39.22 3hsq n LEU 169 CO 0.46 0.40 -0.54 0.00 -1.33 0.00 0.00 177.39 176.38 3hsq s ALA 170 N -3.17 2.33 -0.33 -1.18 0.00 -1.10 -4.13 121.76 114.18 3hsq s ALA 170 Ca 0.37 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 3hsq s ALA 170 Cb -0.16 -0.64 0.05 0.00 0.00 0.00 0.00 23.12 22.37 3hsq s ALA 170 CO 0.45 0.54 0.07 0.21 0.00 0.00 0.00 175.76 177.03 3hsq s LYS 171 N -0.88 2.51 -0.22 0.00 2.20 -1.09 -1.76 119.74 120.49 3hsq s LYS 171 Ca 0.11 -1.25 -0.17 0.00 -0.36 0.00 0.00 55.97 54.30 3hsq s LYS 171 Cb -0.10 -3.36 -0.03 0.00 -1.51 0.00 0.00 37.83 32.83 3hsq s LYS 171 CO 0.01 -0.67 0.46 0.08 -0.36 0.00 0.00 175.35 174.86 3hsq s VAL 172 N 1.33 5.13 -0.00 4.02 1.01 0.94 -3.32 120.40 129.52 3hsq s VAL 172 Ca -0.03 0.81 0.01 0.00 0.00 0.00 0.00 61.98 62.77 3hsq s VAL 172 Cb -0.20 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 3hsq s VAL 172 CO 0.01 0.17 0.01 1.33 0.00 0.00 0.00 175.10 176.63 3hsq n VAL 173 N 4.71 0.01 -4.60 2.92 0.24 -1.26 -0.69 118.33 119.66 3hsq n VAL 173 Ca -0.06 -0.02 -0.28 0.00 -2.04 0.00 0.00 64.34 61.94 3hsq n VAL 173 Cb 0.50 0.18 -0.08 0.00 -1.47 0.00 0.00 33.84 32.98 3hsq n VAL 173 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3hsq s GLN 174 N -2.04 2.02 0.57 7.34 -0.21 -1.26 -4.85 119.66 121.23 3hsq s GLN 174 Ca -0.00 -2.26 -0.20 0.00 0.02 0.00 0.00 55.36 52.92 3hsq s GLN 174 Cb 0.00 -0.91 -0.04 0.00 1.00 0.00 0.00 33.01 33.06 3hsq s GLN 174 CO 0.03 -0.44 1.25 -0.51 -2.12 0.00 0.00 175.29 173.49 3hsq s ASP 175 N -3.70 5.30 -0.39 5.90 1.01 -0.11 -4.50 116.67 120.18 3hsq s ASP 175 Ca 0.18 2.49 -0.15 0.00 0.71 0.00 0.00 52.55 55.78 3hsq s ASP 175 Cb 0.02 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.35 3hsq s ASP 175 CO 0.11 -1.53 0.33 -0.69 0.21 0.00 0.00 175.17 173.60 3hsq s VAL 176 N -1.49 5.21 0.58 -1.27 1.01 -0.15 -0.96 120.40 123.33 3hsq s VAL 176 Ca 0.74 -0.41 -0.18 0.00 0.00 0.00 0.00 61.98 62.13 3hsq s VAL 176 Cb -0.33 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 3hsq s VAL 176 CO 0.37 -0.26 1.14 -2.16 0.00 0.00 0.00 175.10 174.20 3hsq s PRO 177 N 1.85 3.16 0.82 2.72 0.04 -1.26 -0.18 135.00 142.14 3hsq s PRO 177 Ca 0.08 1.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.61 3hsq s PRO 177 Cb -0.18 -1.98 0.09 0.00 0.04 0.00 0.00 34.50 32.47 3hsq s PRO 177 CO 0.11 -1.01 1.18 -1.25 0.04 0.00 0.00 177.00 176.07 3hsq s PRO 178 N -3.45 1.64 -1.37 0.56 0.04 -1.26 -3.17 135.00 127.98 3hsq s PRO 178 Ca 0.73 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.40 3hsq s PRO 178 Cb -0.25 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3hsq s PRO 178 CO 0.31 -2.19 0.00 0.66 0.04 0.00 0.00 177.00 175.82 3hsq n TYR 179 N -3.46 0.00 -4.48 0.56 4.01 0.51 -4.90 117.16 109.40 3hsq n TYR 179 Ca 0.12 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.61 3hsq n TYR 179 Cb 0.51 -2.85 -0.10 0.00 -0.31 0.00 0.00 39.34 36.59 3hsq n TYR 179 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3hsq s SER 180 N -2.51 3.80 -0.11 7.72 0.01 -1.19 -0.62 113.70 120.81 3hsq s SER 180 Ca 0.00 -1.09 0.03 0.00 1.31 0.00 0.00 55.95 56.20 3hsq s SER 180 Cb 0.00 -0.39 0.00 0.00 0.21 0.00 0.00 66.02 65.85 3hsq s SER 180 CO 0.00 -0.13 -0.23 -0.89 0.41 0.00 0.00 173.24 172.40 3hsq s THR 181 N -2.55 1.99 -0.04 1.44 2.01 0.16 -0.53 115.64 118.12 3hsq s THR 181 Ca 0.32 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 61.40 3hsq s THR 181 Cb -0.00 -1.74 -0.02 0.00 0.01 0.00 0.00 72.50 70.74 3hsq s THR 181 CO 0.17 0.54 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.78 3hsq s VAL 182 N 0.49 2.81 0.07 3.82 1.01 0.35 -0.79 120.40 128.16 3hsq s VAL 182 Ca -0.16 -0.82 -0.13 0.00 0.00 0.00 0.00 61.98 60.88 3hsq s VAL 182 Cb -0.17 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.15 3hsq s VAL 182 CO 0.06 0.59 0.28 -0.62 0.00 0.00 0.00 175.10 175.41 3hsq s ASP 183 N -0.69 -0.07 0.00 3.32 2.15 -0.62 -1.56 116.67 119.20 3hsq s ASP 183 Ca 0.11 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 52.75 3hsq s ASP 183 Cb -0.10 0.37 0.00 0.00 -0.30 0.00 0.00 42.92 42.88 3hsq s ASP 183 CO 0.00 -0.68 0.00 0.61 -0.17 0.00 0.00 175.17 174.93 3hsq n GLY 184 N 0.30 -0.51 2.65 2.66 0.00 -1.26 -1.63 105.19 107.40 3hsq n GLY 184 Ca -0.17 -1.74 -0.24 0.00 0.00 0.00 0.00 46.02 43.87 3hsq n GLY 184 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hsq s ASN 185 N -2.29 1.94 0.52 1.61 2.47 -1.26 -2.54 114.94 115.40 3hsq s ASN 185 Ca 0.00 -0.40 -0.20 0.00 0.42 0.00 0.00 52.86 52.68 3hsq s ASN 185 Cb 0.00 -0.13 -0.06 0.00 -1.45 0.00 0.00 41.25 39.60 3hsq s ASN 185 CO 0.00 -0.32 1.13 -2.16 -3.72 0.00 0.00 177.10 172.02 3hsq s PRO 186 N 2.17 3.49 0.44 0.43 0.04 -1.26 -5.02 135.00 135.30 3hsq s PRO 186 Ca 0.03 1.63 -0.14 0.00 0.04 0.00 0.00 61.00 62.56 3hsq s PRO 186 Cb -0.15 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 3hsq s PRO 186 CO -0.08 -0.74 0.86 -1.54 0.04 0.00 0.00 177.00 175.54 3hsq s SER 187 N -1.69 6.62 0.05 6.66 1.04 -1.05 -4.98 113.70 120.36 3hsq s SER 187 Ca 0.70 1.36 -0.03 0.00 0.48 0.00 0.00 55.95 58.46 3hsq s SER 187 Cb -0.24 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.43 3hsq s SER 187 CO 0.28 -0.44 0.02 0.42 0.98 0.00 0.00 173.24 174.50 3hsq s THR 188 N -2.41 0.19 -0.05 2.02 -4.23 -0.65 -4.75 115.64 105.77 3hsq s THR 188 Ca 0.55 -1.58 -0.30 0.00 -1.18 0.00 0.00 61.69 59.18 3hsq s THR 188 Cb -0.10 -1.36 -0.05 0.00 1.34 0.00 0.00 72.50 72.33 3hsq s THR 188 CO 0.28 -0.87 1.45 -0.69 -0.54 0.00 0.00 174.62 174.25 3hsq s VAL 189 N -3.66 3.78 -0.56 2.29 1.01 0.30 -1.59 120.40 121.96 3hsq s VAL 189 Ca 0.04 1.07 0.17 0.00 0.00 0.00 0.00 61.98 63.26 3hsq s VAL 189 Cb 0.06 -3.69 -0.21 0.00 0.00 0.00 0.00 36.38 32.54 3hsq s VAL 189 CO -0.09 -0.05 0.61 1.33 0.00 0.00 0.00 175.10 176.90 3hsq n VAL 190 N 5.03 0.00 -3.78 2.92 0.24 0.03 -1.08 118.33 121.69 3hsq n VAL 190 Ca 0.14 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.25 3hsq n VAL 190 Cb 0.44 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 3hsq n VAL 190 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hsq n GLY 191 N 1.43 -1.35 3.88 7.63 0.00 -1.23 -4.94 105.19 110.61 3hsq n GLY 191 Ca 0.01 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 3hsq n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hsq s LEU 192 N 0.00 4.27 -1.31 0.99 1.43 -1.26 -0.66 118.68 122.14 3hsq s LEU 192 Ca 0.00 0.73 -0.17 0.00 -1.03 0.00 0.00 54.13 53.66 3hsq s LEU 192 Cb 0.00 -3.30 0.02 0.00 0.03 0.00 0.00 46.19 42.95 3hsq s LEU 192 CO 0.00 0.06 1.98 -3.20 0.23 0.00 0.00 176.35 175.42 3hsq n ASN 193 N 0.29 4.12 0.01 2.29 5.15 0.21 -4.63 115.26 122.70 3hsq n ASN 193 Ca -0.03 -2.85 -0.02 0.00 -0.60 0.00 0.00 54.58 51.08 3hsq n ASN 193 Cb 0.52 -1.65 0.24 0.00 -0.53 0.00 0.00 39.78 38.35 3hsq n ASN 193 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3hsq h SER 194 N 7.13 0.49 0.19 1.20 0.02 -1.94 -2.00 113.55 118.64 3hsq h SER 194 Ca 0.48 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 3hsq h SER 194 Cb 0.76 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3hsq h SER 194 CO 1.66 0.67 -0.09 0.58 -1.14 0.00 0.00 176.83 178.51 3hsq h VAL 195 N 0.47 0.92 -0.90 2.27 2.07 -1.99 0.98 116.25 120.07 3hsq h VAL 195 Ca 0.08 -0.63 0.14 0.00 0.82 0.00 0.00 66.70 67.11 3hsq h VAL 195 Cb 0.53 1.29 -0.09 0.00 -1.52 0.00 0.00 31.29 31.50 3hsq h VAL 195 CO 0.03 0.14 0.51 1.23 0.02 0.00 0.00 177.57 179.50 3hsq h GLY 196 N -0.57 1.48 0.92 2.17 0.00 -1.90 0.28 103.07 105.45 3hsq h GLY 196 Ca -0.03 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 3hsq h GLY 196 CO 0.04 0.03 -0.29 -0.33 0.00 0.00 0.00 176.54 175.99 3hsq h MET 197 N 0.75 0.61 -0.06 4.80 2.86 -1.27 -1.34 114.93 121.27 3hsq h MET 197 Ca 0.47 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 3hsq h MET 197 Cb 0.60 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.28 3hsq h MET 197 CO -0.32 0.95 0.00 0.87 1.06 0.00 0.00 176.91 179.47 3hsq h LYS 198 N 0.31 0.11 -0.77 1.72 1.57 -0.51 -1.58 116.57 117.41 3hsq h LYS 198 Ca 0.03 -0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 3hsq h LYS 198 Cb 0.87 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.11 3hsq h LYS 198 CO 0.07 0.37 0.51 -0.09 -0.57 0.00 0.00 179.45 179.74 3hsq h ARG 199 N -0.16 0.47 0.00 3.15 2.43 -0.49 0.18 114.38 119.96 3hsq h ARG 199 Ca 0.02 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3hsq h ARG 199 Cb 0.32 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3hsq h ARG 199 CO 0.00 0.31 0.00 0.00 -1.51 0.00 0.00 179.97 178.78 3hsq n ALA 200 N -2.50 2.24 -1.42 2.80 0.00 -0.51 -4.92 120.51 116.21 3hsq n ALA 200 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3hsq n ALA 200 Cb 0.50 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3hsq n ALA 200 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hsq n GLY 201 N 1.01 0.39 3.74 0.00 0.00 0.05 -5.03 105.19 105.36 3hsq n GLY 201 Ca 0.10 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 3hsq n GLY 201 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hsq s PHE 202 N -2.00 3.02 0.60 1.61 0.40 -0.61 -4.99 117.98 116.01 3hsq s PHE 202 Ca 0.00 0.99 -0.17 0.00 -0.60 0.00 0.00 56.93 57.15 3hsq s PHE 202 Cb 0.00 -3.83 -0.03 0.00 0.51 0.00 0.00 43.02 39.67 3hsq s PHE 202 CO 0.00 -2.75 1.09 -1.54 0.70 0.00 0.00 175.22 172.73 3hsq s SER 203 N 0.44 5.54 0.32 1.36 1.04 -1.26 -4.75 113.70 116.38 3hsq s SER 203 Ca 0.60 1.98 0.09 0.00 0.48 0.00 0.00 55.95 59.10 3hsq s SER 203 Cb -0.42 -2.55 0.84 0.00 0.10 0.00 0.00 66.02 63.99 3hsq s SER 203 CO 0.42 -1.33 1.75 -0.65 0.98 0.00 0.00 173.24 174.40 3hsq h PRO 204 N 0.53 0.62 -0.48 4.02 0.11 -1.99 -0.37 132.00 134.44 3hsq h PRO 204 Ca -0.48 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 3hsq h PRO 204 Cb 1.24 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3hsq h PRO 204 CO 0.56 0.41 0.23 0.93 -0.21 0.00 0.00 178.00 179.92 3hsq h GLU 205 N 0.64 0.69 -0.51 1.05 3.07 -1.98 -0.29 114.58 117.25 3hsq h GLU 205 Ca 0.62 -0.10 -0.05 0.00 -0.50 0.00 0.00 59.36 59.33 3hsq h GLU 205 Cb 1.12 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.89 3hsq h GLU 205 CO -0.44 0.58 0.11 0.28 -1.40 0.00 0.00 179.01 178.14 3hsq h VAL 206 N 0.63 1.24 -0.54 3.13 2.07 -1.68 -0.69 116.25 120.41 3hsq h VAL 206 Ca 0.16 -0.88 -0.11 0.00 0.82 0.00 0.00 66.70 66.70 3hsq h VAL 206 Cb 0.13 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3hsq h VAL 206 CO -0.02 0.32 -0.08 0.03 0.02 0.00 0.00 177.57 177.84 3hsq h ARG 207 N 0.71 1.00 -0.10 1.57 3.08 -1.00 -1.56 114.38 118.08 3hsq h ARG 207 Ca 0.16 -0.35 -0.11 0.00 0.07 0.00 0.00 59.98 59.75 3hsq h ARG 207 Cb 0.35 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3hsq h ARG 207 CO 0.00 1.03 -0.44 -0.91 -1.07 0.00 0.00 179.97 178.58 3hsq h ASN 208 N 0.90 0.24 -0.28 7.04 2.35 -0.94 -0.83 115.58 124.06 3hsq h ASN 208 Ca 0.15 -0.11 -0.13 0.00 -0.55 0.00 0.00 56.30 55.66 3hsq h ASN 208 Cb 0.63 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 3hsq h ASN 208 CO 0.04 0.66 -0.31 0.00 -1.65 0.00 0.00 177.43 176.17 3hsq h ALA 209 N 1.36 0.77 -0.27 -0.83 0.00 -0.90 -0.08 119.26 119.30 3hsq h ALA 209 Ca 0.01 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3hsq h ALA 209 Cb 0.86 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3hsq h ALA 209 CO 0.07 0.65 0.10 0.82 0.00 0.00 0.00 179.25 180.89 3hsq h ILE 210 N 0.67 1.19 -0.69 0.00 2.04 -1.09 -1.24 117.51 118.39 3hsq h ILE 210 Ca 0.07 -0.58 0.05 0.00 1.00 0.00 0.00 64.86 65.40 3hsq h ILE 210 Cb 0.85 1.06 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 3hsq h ILE 210 CO 0.07 0.20 0.40 0.50 0.00 0.00 0.00 178.15 179.32 3hsq h LYS 211 N 0.29 0.74 -0.73 2.37 3.64 -1.02 -2.42 116.57 119.43 3hsq h LYS 211 Ca 0.09 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3hsq h LYS 211 Cb 0.21 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 3hsq h LYS 211 CO -0.01 0.49 0.30 1.25 -2.27 0.00 0.00 179.45 179.22 3hsq h HIS 212 N 0.76 1.10 -0.50 1.91 2.76 -0.88 -1.28 115.15 119.01 3hsq h HIS 212 Ca 0.30 -0.08 0.04 0.00 -2.20 0.00 0.00 60.37 58.43 3hsq h HIS 212 Cb 0.13 -0.33 -0.04 0.00 1.55 0.00 0.00 27.41 28.71 3hsq h HIS 212 CO -0.06 0.84 0.26 0.00 -1.30 0.00 0.00 177.93 177.66 3hsq h ALA 213 N 1.15 0.64 0.00 5.26 0.00 -0.76 -2.79 119.26 122.76 3hsq h ALA 213 Ca 0.25 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 3hsq h ALA 213 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3hsq h ALA 213 CO -0.02 -0.08 -0.37 1.88 0.00 0.00 0.00 179.25 180.65 3hsq h TYR 214 N 0.51 0.00 -0.44 0.00 0.05 -1.29 -2.29 116.97 113.51 3hsq h TYR 214 Ca 0.22 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.99 3hsq h TYR 214 Cb 0.12 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 3hsq h TYR 214 CO -0.10 0.37 0.23 -0.22 -1.05 0.00 0.00 178.16 177.40 3hsq h LYS 215 N 0.00 0.62 -0.12 4.88 3.64 -0.99 0.23 116.57 124.83 3hsq h LYS 215 Ca -0.00 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3hsq h LYS 215 Cb 0.94 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 3hsq h LYS 215 CO 0.05 0.51 0.06 0.28 -2.27 0.00 0.00 179.45 178.08 3hsq h VAL 216 N 0.57 1.12 -0.28 2.00 2.07 -1.33 0.11 116.25 120.51 3hsq h VAL 216 Ca 0.15 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 3hsq h VAL 216 Cb 0.07 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3hsq h VAL 216 CO -0.02 0.11 -0.04 0.40 0.02 0.00 0.00 177.57 178.03 3hsq h ILE 217 N 0.08 1.27 0.00 4.57 2.04 -1.28 -3.37 117.51 120.82 3hsq h ILE 217 Ca 0.04 -1.03 -0.29 0.00 1.00 0.00 0.00 64.86 64.58 3hsq h ILE 217 Cb 0.11 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 3hsq h ILE 217 CO -0.01 0.33 -2.09 -1.22 0.00 0.00 0.00 178.15 175.16 3hsq n TYR 218 N -4.54 0.00 -1.67 1.37 4.01 0.81 -4.67 117.16 112.47 3hsq n TYR 218 Ca -0.03 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.59 3hsq n TYR 218 Cb 0.29 -0.76 0.13 0.00 -0.31 0.00 0.00 39.34 38.69 3hsq n TYR 218 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3hsq n HIS 219 N -2.84 1.61 -0.56 -0.72 8.25 0.38 -4.59 115.22 116.74 3hsq n HIS 219 Ca -0.30 -1.93 0.02 0.00 -0.26 0.00 0.00 57.72 55.25 3hsq n HIS 219 Cb 0.93 -0.48 0.03 0.00 1.12 0.00 0.00 29.99 31.58 3hsq n HIS 219 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3hsq n SER 220 N -0.97 1.52 -2.14 0.41 7.64 -1.11 -4.87 113.62 114.09 3hsq n SER 220 Ca 0.37 -2.01 -0.20 0.00 1.01 0.00 0.00 58.87 58.03 3hsq n SER 220 Cb 0.91 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.98 3hsq n SER 220 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hsq n GLY 221 N -0.55 0.10 3.36 0.23 0.00 -1.26 -4.99 105.19 102.08 3hsq n GLY 221 Ca 0.03 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 3hsq n GLY 221 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hsq s ILE 222 N -2.96 1.54 0.84 -0.61 -4.36 -1.26 -5.14 121.20 109.25 3hsq s ILE 222 Ca 0.00 -2.14 -0.10 0.00 -0.26 0.00 0.00 60.65 58.15 3hsq s ILE 222 Cb 0.00 -2.20 0.10 0.00 1.25 0.00 0.00 42.46 41.61 3hsq s ILE 222 CO 0.00 -0.48 1.12 -0.94 0.24 0.00 0.00 174.94 174.89 3hsq s SER 223 N -3.34 3.70 0.19 4.36 1.04 -1.26 -4.82 113.70 113.57 3hsq s SER 223 Ca 0.25 2.02 -0.12 0.00 0.48 0.00 0.00 55.95 58.58 3hsq s SER 223 Cb 0.02 -2.55 0.11 0.00 0.10 0.00 0.00 66.02 63.71 3hsq s SER 223 CO 0.08 -2.58 1.82 0.74 0.98 0.00 0.00 173.24 174.28 3hsq h THR 224 N -1.49 1.20 0.03 2.02 2.02 -1.97 -1.19 112.91 113.53 3hsq h THR 224 Ca -0.43 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 3hsq h THR 224 Cb 1.25 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3hsq h THR 224 CO 0.46 0.21 -0.01 -0.09 0.37 0.00 0.00 175.52 176.46 3hsq h ARG 225 N 0.90 -0.04 -0.81 6.66 2.43 -1.96 -1.52 114.38 120.04 3hsq h ARG 225 Ca 0.23 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.53 3hsq h ARG 225 Cb 0.00 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.48 3hsq h ARG 225 CO -0.04 -0.02 0.42 0.87 -1.51 0.00 0.00 179.97 179.69 3hsq h LYS 226 N -0.04 0.64 -0.34 0.20 1.57 -1.87 -2.46 116.57 114.27 3hsq h LYS 226 Ca -0.00 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 3hsq h LYS 226 Cb 0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3hsq h LYS 226 CO 0.01 0.42 -0.18 0.00 -0.57 0.00 0.00 179.45 179.13 3hsq h ALA 227 N 1.50 0.48 -0.56 3.86 0.00 -0.81 -1.21 119.26 122.52 3hsq h ALA 227 Ca 0.42 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3hsq h ALA 227 Cb 0.51 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3hsq h ALA 227 CO -0.31 0.42 0.21 -0.07 0.00 0.00 0.00 179.25 179.49 3hsq h LEU 228 N 0.50 0.79 -0.07 0.00 3.38 -1.18 -1.26 115.31 117.48 3hsq h LEU 228 Ca 0.07 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.89 3hsq h LEU 228 Cb 0.72 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 3hsq h LEU 228 CO 0.05 0.76 -0.17 0.44 0.09 0.00 0.00 178.44 179.62 3hsq h ASP 229 N 0.78 -0.50 -0.54 -0.43 3.32 -1.33 -1.67 116.42 116.04 3hsq h ASP 229 Ca 0.19 0.08 0.10 0.00 0.02 0.00 0.00 57.03 57.42 3hsq h ASP 229 Cb 0.23 0.23 -0.08 0.00 0.22 0.00 0.00 39.33 39.93 3hsq h ASP 229 CO -0.01 -0.22 0.10 -0.08 -1.72 0.00 0.00 179.24 177.31 3hsq h GLU 230 N -0.24 0.23 -0.28 3.56 4.81 -0.90 -1.02 114.58 120.74 3hsq h GLU 230 Ca 0.08 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3hsq h GLU 230 Cb 0.35 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 3hsq h GLU 230 CO -0.21 0.15 0.18 -0.07 -0.73 0.00 0.00 179.01 178.33 3hsq h LEU 231 N 0.23 0.33 -1.05 1.64 3.38 -0.92 -2.67 115.31 116.25 3hsq h LEU 231 Ca 0.28 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 3hsq h LEU 231 Cb 0.39 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3hsq h LEU 231 CO -0.37 0.26 0.06 -0.33 0.09 0.00 0.00 178.44 178.15 3hsq h GLU 232 N 0.37 0.74 0.00 1.13 5.08 -0.97 -2.52 114.58 118.41 3hsq h GLU 232 Ca 0.10 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3hsq h GLU 232 Cb -0.02 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3hsq h GLU 232 CO -0.02 0.71 0.00 0.00 -1.00 0.00 0.00 179.01 178.70 3hsq n ALA 233 N -2.47 2.28 1.23 3.43 0.00 -0.42 -3.67 120.51 120.89 3hsq n ALA 233 Ca 0.03 -0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.47 3hsq n ALA 233 Cb 0.25 -1.39 0.39 0.00 0.00 0.00 0.00 19.45 18.70 3hsq n ALA 233 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hsq n SER 234 N -1.19 1.92 0.00 0.00 3.41 -0.95 -5.05 113.62 111.76 3hsq n SER 234 Ca 0.14 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 3hsq n SER 234 Cb 0.15 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 3hsq n SER 234 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hsq n GLY 235 N 1.21 -0.40 3.65 5.00 0.00 -1.24 -5.00 105.19 108.42 3hsq n GLY 235 Ca 0.17 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 3hsq n GLY 235 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hsq s ASN 236 N -4.00 6.68 0.12 1.61 -0.87 -1.26 -4.90 114.94 112.32 3hsq s ASN 236 Ca 0.00 1.87 0.04 0.00 -1.57 0.00 0.00 52.86 53.20 3hsq s ASN 236 Cb 0.00 -2.53 -0.04 0.00 -0.02 0.00 0.00 41.25 38.66 3hsq s ASN 236 CO 0.00 -0.97 0.09 -0.76 -2.57 0.00 0.00 177.10 172.89 3hsq s LEU 237 N 4.18 3.75 0.78 0.60 1.43 -1.26 -5.12 118.68 123.04 3hsq s LEU 237 Ca 0.66 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 53.56 3hsq s LEU 237 Cb -0.27 -2.40 0.06 0.00 0.03 0.00 0.00 46.19 43.61 3hsq s LEU 237 CO 0.25 0.13 1.08 0.27 0.23 0.00 0.00 176.35 178.31 3hsq s ILE 238 N -1.53 3.32 0.22 -0.59 -4.36 -1.26 -4.82 121.20 112.18 3hsq s ILE 238 Ca 0.29 0.43 -0.08 0.00 -0.26 0.00 0.00 60.65 61.04 3hsq s ILE 238 Cb -0.11 -3.02 0.17 0.00 1.25 0.00 0.00 42.46 40.75 3hsq s ILE 238 CO 0.22 -0.56 1.82 1.05 0.24 0.00 0.00 174.94 177.71 3hsq h GLU 239 N -1.11 0.75 -0.98 0.37 4.11 -1.99 -1.45 114.58 114.28 3hsq h GLU 239 Ca -0.45 -0.04 0.09 0.00 0.07 0.00 0.00 59.36 59.02 3hsq h GLU 239 Cb 1.24 -0.17 -0.07 0.00 0.50 0.00 0.00 28.75 30.25 3hsq h GLU 239 CO 0.55 0.49 0.62 1.96 0.07 0.00 0.00 179.01 182.70 3hsq h GLN 240 N 0.77 1.03 0.01 1.06 7.50 -1.99 0.12 115.11 123.60 3hsq h GLN 240 Ca 0.33 -0.06 -0.25 0.00 0.50 0.00 0.00 58.65 59.17 3hsq h GLN 240 Cb 0.21 -0.23 0.02 0.00 0.05 0.00 0.00 27.48 27.53 3hsq h GLN 240 CO -0.19 0.68 -0.98 0.28 -1.50 0.00 0.00 178.83 177.12 3hsq h VAL 241 N 1.06 1.30 -0.57 -0.54 2.07 -1.81 -1.99 116.25 115.78 3hsq h VAL 241 Ca 0.45 -2.23 0.09 0.00 0.82 0.00 0.00 66.70 65.83 3hsq h VAL 241 Cb 0.30 2.43 -0.07 0.00 -1.52 0.00 0.00 31.29 32.43 3hsq h VAL 241 CO -0.21 0.68 0.19 0.11 0.02 0.00 0.00 177.57 178.36 3hsq h LYS 242 N 0.31 0.35 -0.30 1.57 1.57 -0.80 -1.17 116.57 118.11 3hsq h LYS 242 Ca -0.12 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.65 3hsq h LYS 242 Cb 1.65 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.85 3hsq h LYS 242 CO 0.19 0.23 0.15 -0.92 -0.57 0.00 0.00 179.45 178.54 3hsq h TYR 243 N 0.37 0.27 -0.29 -1.35 -0.00 -0.72 0.03 116.97 115.28 3hsq h TYR 243 Ca 0.28 0.01 0.07 0.00 -0.00 0.00 0.00 58.73 59.09 3hsq h TYR 243 Cb 0.35 -0.08 -0.07 0.00 -0.00 0.00 0.00 36.73 36.93 3hsq h TYR 243 CO -0.18 0.15 -0.18 0.82 -0.00 0.00 0.00 178.16 178.77 3hsq h ILE 244 N 0.31 0.49 -0.30 1.81 2.04 -0.89 0.16 117.51 121.13 3hsq h ILE 244 Ca 0.12 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.99 3hsq h ILE 244 Cb 0.04 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 3hsq h ILE 244 CO -0.09 0.00 0.18 0.40 0.00 0.00 0.00 178.15 178.64 3hsq h ILE 245 N -0.15 1.04 -0.65 -0.67 2.04 -0.80 -2.13 117.51 116.19 3hsq h ILE 245 Ca 0.15 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 3hsq h ILE 245 Cb 0.38 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3hsq h ILE 245 CO -0.38 0.07 0.25 0.50 0.00 0.00 0.00 178.15 178.59 3hsq h LYS 246 N 0.37 0.97 -0.40 2.37 3.64 -0.59 -0.36 116.57 122.57 3hsq h LYS 246 Ca 0.12 -0.18 0.06 0.00 -1.27 0.00 0.00 60.65 59.38 3hsq h LYS 246 Cb -0.01 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.60 3hsq h LYS 246 CO -0.05 0.82 0.08 0.35 -2.27 0.00 0.00 179.45 178.38 3hsq h PHE 247 N 0.91 0.13 -0.30 1.91 3.57 -0.50 0.36 116.94 123.03 3hsq h PHE 247 Ca 0.22 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 3hsq h PHE 247 Cb 0.21 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3hsq h PHE 247 CO 0.01 0.01 0.10 0.74 -2.23 0.00 0.00 178.31 176.95 3hsq h PHE 248 N 0.21 0.47 -0.44 0.41 -1.00 -1.04 -2.59 116.94 112.97 3hsq h PHE 248 Ca 0.19 -0.04 0.01 0.00 2.81 0.00 0.00 57.97 60.94 3hsq h PHE 248 Cb 0.23 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.63 3hsq h PHE 248 CO -0.20 0.48 0.28 0.00 -1.61 0.00 0.00 178.31 177.27 3hsq h ARG 249 N 0.33 0.56 -0.00 1.51 2.47 -0.66 -3.03 114.38 115.55 3hsq h ARG 249 Ca 0.10 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 3hsq h ARG 249 Cb 0.22 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 3hsq h ARG 249 CO -0.00 0.37 -0.01 -0.25 0.56 0.00 0.00 179.97 180.64 3hsq n ASP 250 N -4.79 0.08 -4.69 7.04 8.00 0.12 -4.92 116.55 117.39 3hsq n ASP 250 Ca 0.01 -0.60 -0.42 0.00 0.71 0.00 0.00 54.79 54.49 3hsq n ASP 250 Cb 0.03 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 3hsq n ASP 250 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3hsq s SER 251 N -2.29 6.47 -0.06 -2.24 0.15 -0.98 -4.92 113.70 109.82 3hsq s SER 251 Ca 0.37 2.69 -0.17 0.00 0.70 0.00 0.00 55.95 59.55 3hsq s SER 251 Cb 0.21 -2.57 -0.13 0.00 -1.71 0.00 0.00 66.02 61.83 3hsq s SER 251 CO 0.42 -0.97 0.67 0.44 1.20 0.00 0.00 173.24 175.00 3hsq h ASP 252 N 8.39 -0.19 0.93 5.45 3.32 -1.91 -3.36 116.42 129.06 3hsq h ASP 252 Ca -0.45 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.32 3hsq h ASP 252 Cb 1.21 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3hsq h ASP 252 CO 0.94 0.37 -0.30 0.54 -1.72 0.00 0.00 179.24 179.07 3hsq n ARG 253 N -4.91 0.14 0.00 3.56 1.74 -1.26 -5.04 116.66 110.88 3hsq n ARG 253 Ca -0.06 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3hsq n ARG 253 Cb 0.23 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 3hsq n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hsq n GLY 254 N 1.41 0.78 3.58 -0.13 0.00 -1.26 -4.84 105.19 104.73 3hsq n GLY 254 Ca 0.05 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 3hsq n GLY 254 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hsq s VAL 255 N -2.38 3.77 0.17 1.61 1.01 -1.26 -0.93 120.40 122.39 3hsq s VAL 255 Ca 0.00 -0.44 -0.33 0.00 0.00 0.00 0.00 61.98 61.20 3hsq s VAL 255 Cb 0.00 -2.56 -0.15 0.00 0.00 0.00 0.00 36.38 33.67 3hsq s VAL 255 CO 0.00 0.58 1.25 0.41 0.00 0.00 0.00 175.10 177.35 3hsq n THR 256 N 2.41 0.73 -1.37 3.92 -1.04 -0.13 -4.79 114.28 114.01 3hsq n THR 256 Ca -0.18 -0.18 -0.30 0.00 -2.04 0.00 0.00 64.05 61.35 3hsq n THR 256 Cb 0.53 -0.98 0.12 0.00 -1.82 0.00 0.00 70.33 68.17 3hsq n THR 256 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3hsq s ASN 257 N 0.16 3.93 0.05 8.00 -0.87 -1.26 -4.63 114.94 120.31 3hsq s ASN 257 Ca 0.74 1.39 -0.10 0.00 -1.57 0.00 0.00 52.86 53.32 3hsq s ASN 257 Cb -0.82 -2.09 -0.06 0.00 -0.02 0.00 0.00 41.25 38.26 3hsq s ASN 257 CO 0.50 -2.34 0.37 -2.28 -2.57 0.00 0.00 177.10 170.79 3hsq s HIS 258 N -3.04 3.61 -2.00 2.20 2.46 -1.26 -0.54 115.29 116.72 3hsq s HIS 258 Ca 0.62 0.78 0.07 0.00 0.47 0.00 0.00 55.06 57.01 3hsq s HIS 258 Cb -0.16 -2.15 0.41 0.00 -0.13 0.00 0.00 32.58 30.55 3hsq s HIS 258 CO 0.56 0.57 0.87 -2.13 -2.47 0.00 0.00 174.74 172.13