#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bgh n HIS 43 N 0.00 2.01 -1.37 -1.77 -0.00 -1.26 -4.97 115.22 107.86 3bgh n HIS 43 Ca 0.00 -3.69 -0.39 0.00 0.46 0.00 0.00 57.72 54.10 3bgh n HIS 43 Cb 0.00 -0.41 -0.02 0.00 -0.12 0.00 0.00 29.99 29.44 3bgh n HIS 43 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 3bgh n PHE 44 N -0.03 2.60 -3.76 1.57 3.72 -1.26 -4.74 117.46 115.56 3bgh n PHE 44 Ca 0.27 -2.98 -0.14 0.00 -0.05 0.00 0.00 57.45 54.55 3bgh n PHE 44 Cb 0.58 -2.45 -0.15 0.00 -0.94 0.00 0.00 39.48 36.53 3bgh n PHE 44 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3bgh s HIS 45 N 2.54 -0.09 -0.14 1.38 2.46 -1.26 -4.83 115.29 115.34 3bgh s HIS 45 Ca 0.63 0.34 0.01 0.00 0.47 0.00 0.00 55.06 56.50 3bgh s HIS 45 Cb 0.17 -0.13 0.02 0.00 -0.13 0.00 0.00 32.58 32.51 3bgh s HIS 45 CO -0.06 -0.13 -0.16 -0.47 -2.47 0.00 0.00 174.74 171.45 3bgh s TYR 46 N 1.04 2.24 0.31 3.88 5.04 -1.26 -4.96 117.35 123.63 3bgh s TYR 46 Ca -0.08 -1.22 -0.29 0.00 -2.44 0.00 0.00 57.07 53.03 3bgh s TYR 46 Cb -0.11 -1.62 -0.10 0.00 0.35 0.00 0.00 41.96 40.48 3bgh s TYR 46 CO -0.04 -0.65 1.24 -2.14 -1.34 0.00 0.00 175.55 172.62 3bgh s PRO 47 N 1.33 4.45 -0.33 4.97 0.02 -1.26 -4.98 135.00 139.19 3bgh s PRO 47 Ca 0.02 2.08 -0.12 0.00 0.02 0.00 0.00 61.00 63.00 3bgh s PRO 47 Cb -0.13 -3.11 -0.02 0.00 0.02 0.00 0.00 34.50 31.26 3bgh s PRO 47 CO -0.09 -0.06 0.22 0.42 -0.33 0.00 0.00 177.00 177.16 3bgh s ILE 48 N -1.12 5.15 -0.74 2.83 1.09 -1.26 -5.00 121.20 122.16 3bgh s ILE 48 Ca 0.48 -0.24 0.03 0.00 -1.10 0.00 0.00 60.65 59.82 3bgh s ILE 48 Cb -0.37 -3.63 0.30 0.00 -1.06 0.00 0.00 42.46 37.70 3bgh s ILE 48 CO 0.49 0.02 1.08 0.29 -0.10 0.00 0.00 174.94 176.72 3bgh n LYS 49 N 5.08 3.49 -3.32 2.79 5.02 -1.26 -5.02 118.16 124.95 3bgh n LYS 49 Ca -0.13 -4.73 -0.20 0.00 -2.02 0.00 0.00 58.31 51.23 3bgh n LYS 49 Cb 0.50 -2.32 -0.00 0.00 -0.02 0.00 0.00 35.03 33.19 3bgh n LYS 49 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3bgh s GLY 50 N -2.59 2.04 0.48 0.72 0.00 -1.26 -5.13 107.32 101.58 3bgh s GLY 50 Ca 0.42 -1.79 -0.04 0.00 0.00 0.00 0.00 44.72 43.30 3bgh s GLY 50 CO -0.06 -1.64 0.77 -1.59 0.00 0.00 0.00 173.10 170.58 3bgh s LYS 51 N -4.29 3.42 -0.27 2.90 0.00 -1.26 -5.01 119.74 115.22 3bgh s LYS 51 Ca 0.51 0.06 -0.28 0.00 0.00 0.00 0.00 55.97 56.26 3bgh s LYS 51 Cb -0.06 -2.41 -0.04 0.00 0.00 0.00 0.00 37.83 35.33 3bgh s LYS 51 CO 0.31 -0.24 2.04 -1.14 0.00 0.00 0.00 175.35 176.32 3bgh s GLN 52 N -4.71 3.20 0.60 1.78 2.00 -1.26 -4.71 119.66 116.55 3bgh s GLN 52 Ca 0.47 1.75 -0.12 0.00 -2.00 0.00 0.00 55.36 55.47 3bgh s GLN 52 Cb -0.10 -4.30 -0.05 0.00 0.80 0.00 0.00 33.01 29.36 3bgh s GLN 52 CO 0.43 -2.02 1.01 -1.21 -0.50 0.00 0.00 175.29 173.00 3bgh s GLU 53 N 6.09 3.65 0.29 1.67 8.01 -0.40 -5.03 118.70 132.96 3bgh s GLU 53 Ca 0.91 0.75 -0.07 0.00 0.01 0.00 0.00 54.97 56.58 3bgh s GLU 53 Cb -0.28 -2.10 -0.06 0.00 -4.31 0.00 0.00 34.13 27.38 3bgh s GLU 53 CO 0.34 -0.51 0.58 -1.25 0.01 0.00 0.00 175.26 174.43 3bgh s PRO 54 N -5.00 3.70 -0.38 0.39 0.04 -1.26 -4.16 135.00 128.32 3bgh s PRO 54 Ca 0.55 0.14 -0.45 0.00 0.04 0.00 0.00 61.00 61.28 3bgh s PRO 54 Cb -0.11 -2.61 -0.20 0.00 0.04 0.00 0.00 34.50 31.62 3bgh s PRO 54 CO 0.50 0.21 1.50 1.63 0.04 0.00 0.00 177.00 180.88 3bgh n LYS 55 N -0.76 0.07 0.00 4.56 5.02 -1.26 -4.46 118.16 121.33 3bgh n LYS 55 Ca -0.01 0.03 0.10 0.00 -2.02 0.00 0.00 58.31 56.41 3bgh n LYS 55 Cb 0.53 -1.54 0.07 0.00 -0.02 0.00 0.00 35.03 34.08 3bgh n LYS 55 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3bgh n ASN 56 N 3.56 2.55 -0.74 4.39 6.94 -0.61 -4.97 115.26 126.37 3bgh n ASN 56 Ca 0.28 -1.77 -0.10 0.00 -0.02 0.00 0.00 54.58 52.97 3bgh n ASN 56 Cb -0.02 0.07 -0.04 0.00 -2.36 0.00 0.00 39.78 37.43 3bgh n ASN 56 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 3bgh n SER 57 N 0.95 -5.36 -4.66 0.53 7.64 -1.26 -4.97 113.62 106.49 3bgh n SER 57 Ca 0.11 0.24 -0.38 0.00 1.01 0.00 0.00 58.87 59.85 3bgh n SER 57 Cb 0.49 -3.71 -0.08 0.00 -1.01 0.00 0.00 64.21 59.89 3bgh n SER 57 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3bgh s HIS 58 N -1.96 3.35 -0.20 1.43 3.76 -1.26 -5.03 115.29 115.38 3bgh s HIS 58 Ca 0.00 0.50 -0.07 0.00 -0.15 0.00 0.00 55.06 55.33 3bgh s HIS 58 Cb 0.00 -2.46 -0.04 0.00 1.11 0.00 0.00 32.58 31.19 3bgh s HIS 58 CO 0.00 -0.01 0.07 -1.17 -0.85 0.00 0.00 174.74 172.78 3bgh s LEU 59 N 1.30 3.75 -0.09 0.89 2.96 -1.26 -2.99 118.68 123.23 3bgh s LEU 59 Ca 0.16 0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 54.09 3bgh s LEU 59 Cb -0.14 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 3bgh s LEU 59 CO 0.07 0.13 -0.07 0.54 -1.32 0.00 0.00 176.35 175.71 3bgh s VAL 60 N 0.61 3.69 -0.25 1.68 0.11 -0.68 -0.52 120.40 125.04 3bgh s VAL 60 Ca 0.03 -0.47 -0.18 0.00 -2.93 0.00 0.00 61.98 58.43 3bgh s VAL 60 Cb -0.13 -2.54 -0.03 0.00 -1.53 0.00 0.00 36.38 32.16 3bgh s VAL 60 CO 0.01 0.57 0.54 -0.69 -3.33 0.00 0.00 175.10 172.20 3bgh s VAL 61 N -0.44 5.06 -0.32 2.04 1.01 -0.31 -2.65 120.40 124.79 3bgh s VAL 61 Ca 0.07 0.94 -0.03 0.00 0.00 0.00 0.00 61.98 62.96 3bgh s VAL 61 Cb -0.12 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.46 3bgh s VAL 61 CO 0.02 0.10 0.04 -0.22 0.00 0.00 0.00 175.10 175.04 3bgh s LEU 62 N 2.19 4.13 0.05 3.92 2.96 -0.85 0.78 118.68 131.85 3bgh s LEU 62 Ca 0.23 -1.32 -0.19 0.00 -0.22 0.00 0.00 54.13 52.62 3bgh s LEU 62 Cb -0.16 -1.76 -0.06 0.00 0.50 0.00 0.00 46.19 44.72 3bgh s LEU 62 CO 0.09 -0.30 0.56 -0.63 -1.32 0.00 0.00 176.35 174.75 3bgh s ILE 63 N 1.27 4.81 0.10 6.68 1.01 -0.39 -2.89 121.20 131.79 3bgh s ILE 63 Ca -0.03 1.19 -0.36 0.00 0.00 0.00 0.00 60.65 61.45 3bgh s ILE 63 Cb -0.20 -3.89 -0.16 0.00 0.01 0.00 0.00 42.46 38.22 3bgh s ILE 63 CO -0.01 0.52 1.38 1.21 0.00 0.00 0.00 174.94 178.04 3bgh n GLU 64 N 1.99 1.32 -2.44 2.79 2.13 -1.16 -4.43 120.64 120.84 3bgh n GLU 64 Ca -0.10 0.48 -0.40 0.00 0.66 0.00 0.00 57.16 57.80 3bgh n GLU 64 Cb 0.51 -2.14 -0.04 0.00 0.27 0.00 0.00 31.44 30.04 3bgh n GLU 64 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3bgh s PRO 65 N 0.53 4.59 -0.67 5.31 0.02 -1.26 -4.68 135.00 138.84 3bgh s PRO 65 Ca 0.83 1.84 -0.11 0.00 0.02 0.00 0.00 61.00 63.58 3bgh s PRO 65 Cb -0.90 -3.15 0.17 0.00 0.02 0.00 0.00 34.50 30.64 3bgh s PRO 65 CO 0.45 0.16 0.57 0.15 -0.33 0.00 0.00 177.00 178.00 3bgh s LYS 66 N -1.52 3.05 -0.37 5.54 1.02 -0.02 -4.88 119.74 122.56 3bgh s LYS 66 Ca 0.45 -2.23 -0.09 0.00 0.02 0.00 0.00 55.97 54.13 3bgh s LYS 66 Cb -0.33 -4.15 0.04 0.00 -0.52 0.00 0.00 37.83 32.88 3bgh s LYS 66 CO 0.42 -1.25 0.18 0.42 -0.92 0.00 0.00 175.35 174.20 3bgh s ILE 67 N 0.57 4.18 0.54 2.17 -1.09 -1.26 -1.76 121.20 124.54 3bgh s ILE 67 Ca 0.13 -1.10 -0.19 0.00 -2.23 0.00 0.00 60.65 57.26 3bgh s ILE 67 Cb -0.19 -3.40 -0.06 0.00 -1.58 0.00 0.00 42.46 37.23 3bgh s ILE 67 CO -0.04 -0.28 1.08 -1.61 -1.23 0.00 0.00 174.94 172.86 3bgh s GLU 68 N 1.46 3.49 0.17 2.79 2.02 0.11 -4.86 118.70 123.88 3bgh s GLU 68 Ca 0.01 1.43 0.07 0.00 0.02 0.00 0.00 54.97 56.50 3bgh s GLU 68 Cb -0.20 -2.04 -0.04 0.00 0.10 0.00 0.00 34.13 31.94 3bgh s GLU 68 CO 0.04 -0.70 -0.15 0.96 0.02 0.00 0.00 175.26 175.42 3bgh s ILE 69 N -2.01 1.62 0.54 -1.63 -4.36 -1.26 -0.55 121.20 113.57 3bgh s ILE 69 Ca 0.69 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 59.12 3bgh s ILE 69 Cb -0.19 -1.83 0.03 0.00 1.25 0.00 0.00 42.46 41.72 3bgh s ILE 69 CO 0.27 -0.46 0.76 0.54 0.24 0.00 0.00 174.94 176.29 3bgh s ASN 70 N -2.85 5.31 0.54 4.36 4.22 -1.23 -4.98 114.94 120.31 3bgh s ASN 70 Ca 0.16 -0.02 0.27 0.00 -2.14 0.00 0.00 52.86 51.13 3bgh s ASN 70 Cb -0.03 -0.89 1.53 0.00 1.28 0.00 0.00 41.25 43.14 3bgh s ASN 70 CO 0.05 -1.11 2.12 0.07 -2.04 0.00 0.00 177.10 176.20 3bgh h LYS 71 N 0.11 0.00 0.00 3.55 -0.00 -1.96 -1.33 116.57 116.94 3bgh h LYS 71 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.23 3bgh h LYS 71 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.52 3bgh h LYS 71 CO 0.52 0.09 0.00 1.55 -0.00 0.00 0.00 179.45 181.61 3bgh n VAL 72 N -3.76 0.67 -3.18 0.07 3.14 -1.26 -4.66 118.33 109.35 3bgh n VAL 72 Ca -0.02 -0.14 -0.39 0.00 -2.96 0.00 0.00 64.34 60.82 3bgh n VAL 72 Cb 0.19 -0.76 -0.06 0.00 -1.06 0.00 0.00 33.84 32.15 3bgh n VAL 72 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 3bgh s ILE 73 N -3.17 5.08 0.34 1.55 1.01 -0.50 -5.04 121.20 120.47 3bgh s ILE 73 Ca 0.09 1.12 -0.29 0.00 0.00 0.00 0.00 60.65 61.57 3bgh s ILE 73 Cb 0.11 -3.91 -0.12 0.00 0.01 0.00 0.00 42.46 38.56 3bgh s ILE 73 CO 0.54 0.19 1.47 -2.65 0.00 0.00 0.00 174.94 174.49 3bgh n PRO 74 N 4.53 2.53 -0.23 2.79 -0.02 -1.26 -4.86 135.00 138.48 3bgh n PRO 74 Ca -0.03 0.89 0.14 0.00 -2.02 0.00 0.00 63.50 62.48 3bgh n PRO 74 Cb 0.50 -2.60 0.44 0.00 -0.02 0.00 0.00 33.50 31.82 3bgh n PRO 74 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3bgh h GLU 75 N 3.46 0.54 0.00 -0.52 4.81 -1.96 -2.04 114.58 118.88 3bgh h GLU 75 Ca -0.48 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.68 3bgh h GLU 75 Cb 1.25 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 3bgh h GLU 75 CO 0.69 0.36 -0.18 0.66 -0.73 0.00 0.00 179.01 179.80 3bgh h SER 76 N 0.55 0.00 -0.44 1.04 4.64 -2.00 -2.15 113.55 115.19 3bgh h SER 76 Ca 0.42 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.62 3bgh h SER 76 Cb 0.82 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.90 3bgh h SER 76 CO -0.17 0.18 -0.18 1.88 -0.87 0.00 0.00 176.83 177.67 3bgh h TYR 77 N 0.00 1.04 0.21 4.77 -1.99 -1.74 0.54 116.97 119.79 3bgh h TYR 77 Ca -0.00 -0.25 0.01 0.00 2.00 0.00 0.00 58.73 60.49 3bgh h TYR 77 Cb 0.33 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 38.78 3bgh h TYR 77 CO 0.00 1.03 -0.35 0.37 -0.00 0.00 0.00 178.16 179.22 3bgh h GLN 78 N 0.74 -0.61 -0.59 4.88 4.15 -1.41 0.02 115.11 122.28 3bgh h GLN 78 Ca 0.10 0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.56 3bgh h GLN 78 Cb 0.74 0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.55 3bgh h GLN 78 CO 0.06 -0.41 0.35 -0.22 -1.93 0.00 0.00 178.83 176.68 3bgh h LYS 79 N -0.64 0.80 -0.66 1.69 1.63 -1.43 -0.71 116.57 117.26 3bgh h LYS 79 Ca 0.01 -0.07 0.12 0.00 -0.85 0.00 0.00 60.65 59.85 3bgh h LYS 79 Cb 0.63 -0.17 -0.09 0.00 -0.60 0.00 0.00 32.23 32.00 3bgh h LYS 79 CO -0.15 0.58 0.22 1.49 -3.45 0.00 0.00 179.45 178.13 3bgh h GLU 80 N 0.79 0.35 0.01 1.90 4.57 -0.72 -0.53 114.58 120.96 3bgh h GLU 80 Ca 0.21 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.37 3bgh h GLU 80 Cb -0.01 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 3bgh h GLU 80 CO -0.04 0.23 -0.00 0.35 -1.18 0.00 0.00 179.01 178.37 3bgh h PHE 81 N 0.36 -0.01 -0.26 0.92 3.57 -0.46 -0.95 116.94 120.11 3bgh h PHE 81 Ca 0.35 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.81 3bgh h PHE 81 Cb 0.50 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 3bgh h PHE 81 CO -0.20 0.45 0.00 0.93 -2.23 0.00 0.00 178.31 177.27 3bgh h GLU 82 N -0.48 0.39 0.02 1.11 5.08 -1.09 -2.19 114.58 117.42 3bgh h GLU 82 Ca -0.00 -0.07 -0.21 0.00 -1.00 0.00 0.00 59.36 58.08 3bgh h GLU 82 Cb 0.47 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3bgh h GLU 82 CO 0.00 0.42 -0.93 -0.22 -1.00 0.00 0.00 179.01 177.28 3bgh h LYS 83 N 0.38 0.16 -0.05 2.33 3.64 -0.91 -2.37 116.57 119.75 3bgh h LYS 83 Ca 0.09 -0.20 -0.08 0.00 -1.27 0.00 0.00 60.65 59.20 3bgh h LYS 83 Cb 0.25 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3bgh h LYS 83 CO 0.01 0.98 -0.26 0.77 -2.27 0.00 0.00 179.45 178.67 3bgh h SER 84 N 0.08 0.32 -0.48 4.20 0.02 -1.02 -2.56 113.55 114.11 3bgh h SER 84 Ca -0.05 -0.66 0.00 0.00 -0.84 0.00 0.00 61.79 60.25 3bgh h SER 84 Cb 1.60 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 64.02 3bgh h SER 84 CO 0.14 0.93 0.31 -0.07 -1.14 0.00 0.00 176.83 177.00 3bgh h LEU 85 N -0.26 0.56 -0.17 5.07 3.38 -1.48 0.60 115.31 123.01 3bgh h LEU 85 Ca -0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3bgh h LEU 85 Cb 0.92 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 3bgh h LEU 85 CO 0.05 0.41 -0.01 0.15 0.09 0.00 0.00 178.44 179.14 3bgh h PHE 86 N 0.66 0.35 0.10 1.13 3.57 -1.38 -2.59 116.94 118.77 3bgh h PHE 86 Ca 0.18 -0.06 -0.27 0.00 3.53 0.00 0.00 57.97 61.34 3bgh h PHE 86 Cb -0.06 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 38.60 3bgh h PHE 86 CO 0.00 0.54 -1.18 -0.07 -2.23 0.00 0.00 178.31 175.37 3bgh h LEU 87 N 0.05 0.62 -0.82 0.59 3.38 -1.31 -3.17 115.31 114.66 3bgh h LEU 87 Ca 0.05 -0.59 -0.12 0.00 0.09 0.00 0.00 57.88 57.31 3bgh h LEU 87 Cb 0.41 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3bgh h LEU 87 CO 0.01 1.42 -0.48 1.56 0.09 0.00 0.00 178.44 181.04 3bgh h GLN 88 N 0.18 0.27 -0.03 1.13 4.20 -0.93 -1.23 115.11 118.70 3bgh h GLN 88 Ca -0.14 -0.14 -0.15 0.00 0.06 0.00 0.00 58.65 58.27 3bgh h GLN 88 Cb 1.86 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.63 3bgh h GLN 88 CO 0.21 0.69 -0.66 -0.07 -0.67 0.00 0.00 178.83 178.33 3bgh h LEU 89 N 0.21 0.13 0.69 1.46 3.38 -1.58 -2.42 115.31 117.19 3bgh h LEU 89 Ca 0.01 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3bgh h LEU 89 Cb 0.92 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.64 3bgh h LEU 89 CO 0.08 0.75 -0.33 0.28 0.09 0.00 0.00 178.44 179.31 3bgh h SER 90 N 0.08 -0.79 -0.10 -0.43 0.02 -1.39 -1.29 113.55 109.65 3bgh h SER 90 Ca -0.01 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 3bgh h SER 90 Cb 1.18 0.20 -0.06 0.00 0.14 0.00 0.00 62.40 63.86 3bgh h SER 90 CO 0.09 -0.54 -0.53 0.28 -1.14 0.00 0.00 176.83 175.00 3bgh h SER 91 N -0.97 -1.66 -1.22 3.07 0.02 -1.28 0.19 113.55 111.70 3bgh h SER 91 Ca -0.10 0.19 0.35 0.00 -0.84 0.00 0.00 61.79 61.40 3bgh h SER 91 Cb 0.73 0.64 -0.08 0.00 0.14 0.00 0.00 62.40 63.83 3bgh h SER 91 CO 0.16 -0.48 0.83 0.15 -1.14 0.00 0.00 176.83 176.35 3bgh h PHE 92 N -0.59 0.34 0.00 3.45 3.57 -1.44 0.44 116.94 122.71 3bgh h PHE 92 Ca 0.03 0.01 -0.25 0.00 3.53 0.00 0.00 57.97 61.29 3bgh h PHE 92 Cb 0.67 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 3bgh h PHE 92 CO -0.57 -0.02 -1.43 -0.07 -2.23 0.00 0.00 178.31 173.99 3bgh h LEU 93 N 0.16 0.00 0.10 0.59 3.38 0.03 -2.92 115.31 116.65 3bgh h LEU 93 Ca 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.62 3bgh h LEU 93 Cb 2.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.93 3bgh h LEU 93 CO -0.19 0.94 -0.05 -0.33 0.09 0.00 0.00 178.44 178.90 3bgh h GLU 94 N 0.00 -0.13 -0.64 1.13 5.08 0.99 -1.18 114.58 119.83 3bgh h GLU 94 Ca -0.18 0.01 0.19 0.00 -1.00 0.00 0.00 59.36 58.37 3bgh h GLU 94 Cb 1.88 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 31.13 3bgh h GLU 94 CO 0.09 0.29 0.77 -0.09 -1.00 0.00 0.00 179.01 179.07 3bgh h ARG 95 N -0.60 0.00 -0.67 2.33 9.65 -0.33 -0.74 114.38 124.01 3bgh h ARG 95 Ca -0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3bgh h ARG 95 Cb 0.48 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 3bgh h ARG 95 CO 0.02 0.00 0.00 1.63 2.80 0.00 0.00 179.97 184.42 3bgh n LYS 96 N -3.44 2.79 0.00 0.20 4.01 -1.10 -1.28 118.16 119.35 3bgh n LYS 96 Ca 0.13 -2.58 0.00 0.00 -0.51 0.00 0.00 58.31 55.35 3bgh n LYS 96 Cb 0.99 -1.53 0.00 0.00 -0.51 0.00 0.00 35.03 33.98 3bgh n LYS 96 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3bgh n GLY 97 N 1.44 0.68 3.81 0.72 0.00 -0.28 -4.79 105.19 106.77 3bgh n GLY 97 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 3bgh n GLY 97 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bgh s TYR 98 N -2.16 3.14 0.06 1.61 2.02 -0.47 -1.57 117.35 119.98 3bgh s TYR 98 Ca 0.00 1.57 -0.01 0.00 -0.37 0.00 0.00 57.07 58.26 3bgh s TYR 98 Cb 0.00 -2.96 -0.04 0.00 -0.40 0.00 0.00 41.96 38.55 3bgh s TYR 98 CO 0.00 -0.57 0.23 -1.54 -1.57 0.00 0.00 175.55 172.10 3bgh s SER 99 N -2.20 6.38 -0.17 2.29 1.04 -1.16 -3.96 113.70 115.92 3bgh s SER 99 Ca 0.64 0.34 0.01 0.00 0.48 0.00 0.00 55.95 57.42 3bgh s SER 99 Cb -0.13 -1.99 0.03 0.00 0.10 0.00 0.00 66.02 64.03 3bgh s SER 99 CO 0.20 0.17 -0.15 -0.69 0.98 0.00 0.00 173.24 173.75 3bgh s VAL 100 N -1.49 1.79 -0.35 5.02 1.01 -1.26 -1.69 120.40 123.42 3bgh s VAL 100 Ca 0.34 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 61.27 3bgh s VAL 100 Cb -0.13 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 3bgh s VAL 100 CO 0.26 0.41 0.56 -0.44 0.00 0.00 0.00 175.10 175.89 3bgh s SER 101 N 1.38 6.36 0.18 3.32 0.01 -1.08 -5.02 113.70 118.84 3bgh s SER 101 Ca 0.03 0.03 -0.27 0.00 1.31 0.00 0.00 55.95 57.05 3bgh s SER 101 Cb -0.14 -2.29 -0.08 0.00 0.21 0.00 0.00 66.02 63.72 3bgh s SER 101 CO -0.11 -0.53 0.85 -1.10 0.41 0.00 0.00 173.24 172.76 3bgh s GLN 102 N 2.52 4.68 0.28 12.44 -0.21 -1.26 -2.01 119.66 136.09 3bgh s GLN 102 Ca 0.21 1.29 0.02 0.00 0.02 0.00 0.00 55.36 56.90 3bgh s GLN 102 Cb -0.15 -3.29 -0.04 0.00 1.00 0.00 0.00 33.01 30.53 3bgh s GLN 102 CO 0.14 0.50 0.13 -0.06 -2.12 0.00 0.00 175.29 173.87 3bgh s PHE 103 N -0.96 1.57 -0.54 0.91 0.08 -1.14 -4.98 117.98 112.92 3bgh s PHE 103 Ca 0.39 -1.27 0.07 0.00 0.12 0.00 0.00 56.93 56.23 3bgh s PHE 103 Cb -0.24 -0.89 -0.02 0.00 -0.57 0.00 0.00 43.02 41.31 3bgh s PHE 103 CO 0.28 -0.42 0.46 1.63 -0.10 0.00 0.00 175.22 177.07 3bgh n LYS 104 N -0.53 2.86 -3.67 0.44 5.02 -1.26 -3.01 118.16 118.01 3bgh n LYS 104 Ca 0.00 -0.39 -0.14 0.00 -2.02 0.00 0.00 58.31 55.76 3bgh n LYS 104 Cb 0.66 -0.94 -0.08 0.00 -0.02 0.00 0.00 35.03 34.65 3bgh n LYS 104 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3bgh s ASP 105 N -1.17 -0.53 0.00 4.39 1.01 -1.26 -4.43 116.67 114.68 3bgh s ASP 105 Ca 0.05 0.87 0.00 0.00 0.71 0.00 0.00 52.55 54.18 3bgh s ASP 105 Cb 0.05 0.88 0.00 0.00 1.01 0.00 0.00 42.92 44.87 3bgh s ASP 105 CO 0.19 -0.31 0.91 0.00 0.21 0.00 0.00 175.17 176.17 3bgh n ALA 106 N 2.20 1.08 0.19 5.23 0.00 -1.26 -2.23 120.51 125.73 3bgh n ALA 106 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 3bgh n ALA 106 Cb 0.56 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.97 3bgh n ALA 106 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3bgh h SER 107 N 0.00 -0.47 0.00 0.00 0.02 -2.03 -3.39 113.55 107.68 3bgh h SER 107 Ca 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3bgh h SER 107 Cb 0.00 0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3bgh h SER 107 CO 0.00 -0.03 0.00 -0.62 -1.14 0.00 0.00 176.83 175.04 3bgh n GLU 108 N -5.15 0.00 -0.01 3.45 1.02 -0.95 -4.77 120.64 114.24 3bgh n GLU 108 Ca -0.08 0.63 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 3bgh n GLU 108 Cb 0.25 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 3bgh n GLU 108 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3bgh n ILE 109 N -1.67 0.00 -2.04 -3.67 5.41 -1.26 -4.86 119.36 111.27 3bgh n ILE 109 Ca 0.00 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.37 3bgh n ILE 109 Cb 0.00 0.00 0.01 0.00 -0.71 0.00 0.00 39.64 38.94 3bgh n ILE 109 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3bgh s PRO 110 N 0.00 3.51 0.19 0.38 0.04 -1.26 -4.87 135.00 132.98 3bgh s PRO 110 Ca 0.00 1.99 0.10 0.00 0.04 0.00 0.00 61.00 63.14 3bgh s PRO 110 Cb 0.00 -2.36 0.56 0.00 0.04 0.00 0.00 34.50 32.74 3bgh s PRO 110 CO 0.00 -0.82 1.25 0.94 0.04 0.00 0.00 177.00 178.41 3bgh n GLN 111 N -0.68 0.07 0.28 4.56 7.27 -1.26 -1.78 117.38 125.83 3bgh n GLN 111 Ca 0.08 0.52 -0.11 0.00 0.07 0.00 0.00 57.00 57.56 3bgh n GLN 111 Cb 0.46 -1.85 -0.05 0.00 2.41 0.00 0.00 30.24 31.21 3bgh n GLN 111 CO 0.00 0.00 0.00 0.22 0.07 0.00 0.00 177.06 177.35 3bgh h ASP 112 N 0.00 -0.61 -0.22 1.69 1.82 -2.00 -2.23 116.42 114.87 3bgh h ASP 112 Ca 0.00 0.02 -0.06 0.00 -0.39 0.00 0.00 57.03 56.61 3bgh h ASP 112 Cb 0.25 0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.40 3bgh h ASP 112 CO 0.00 -0.36 -0.03 0.40 -1.61 0.00 0.00 179.24 177.65 3bgh h ILE 113 N -0.89 1.21 0.22 2.25 1.08 -1.72 -2.91 117.51 116.74 3bgh h ILE 113 Ca -0.07 -0.84 0.01 0.00 -0.39 0.00 0.00 64.86 63.56 3bgh h ILE 113 Cb 0.56 0.98 -0.04 0.00 -3.07 0.00 0.00 36.82 35.25 3bgh h ILE 113 CO 0.12 0.29 -0.39 0.11 -0.69 0.00 0.00 178.15 177.59 3bgh h LYS 114 N 0.51 -0.66 -0.42 2.37 1.57 -1.42 -1.32 116.57 117.20 3bgh h LYS 114 Ca 0.11 0.04 0.12 0.00 -1.87 0.00 0.00 60.65 59.05 3bgh h LYS 114 Cb 0.37 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3bgh h LYS 114 CO 0.01 -0.44 0.38 0.93 -0.57 0.00 0.00 179.45 179.76 3bgh h GLU 115 N -0.68 0.00 0.02 3.15 4.39 -1.19 -3.19 114.58 117.09 3bgh h GLU 115 Ca 0.00 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 59.32 3bgh h GLU 115 Cb 0.67 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.27 3bgh h GLU 115 CO -0.17 0.00 -2.21 1.17 -1.16 0.00 0.00 179.01 176.64 3bgh n LYS 116 N -3.97 0.63 -1.77 2.33 0.00 -1.03 -5.03 118.16 109.32 3bgh n LYS 116 Ca 0.07 0.28 -0.39 0.00 0.00 0.00 0.00 58.31 58.28 3bgh n LYS 116 Cb 0.56 -1.58 0.03 0.00 0.00 0.00 0.00 35.03 34.05 3bgh n LYS 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3bgh s ALA 117 N -2.50 2.99 0.06 3.14 0.00 -0.53 -4.80 121.76 120.13 3bgh s ALA 117 Ca -0.33 1.40 -0.19 0.00 0.00 0.00 0.00 51.96 52.84 3bgh s ALA 117 Cb 0.10 -3.58 -0.12 0.00 0.00 0.00 0.00 23.12 19.51 3bgh s ALA 117 CO 0.59 -1.32 1.37 1.25 0.00 0.00 0.00 175.76 177.65 3bgh h LEU 118 N 1.80 0.48 -7.44 0.00 5.85 -1.16 -3.43 115.31 111.41 3bgh h LEU 118 Ca -0.51 -0.47 0.04 0.00 0.84 0.00 0.00 57.88 57.78 3bgh h LEU 118 Cb 1.29 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 42.09 3bgh h LEU 118 CO 0.59 0.85 0.26 -1.48 -0.34 0.00 0.00 178.44 178.31 3bgh s LEU 119 N -9.09 -0.41 -0.08 2.25 2.34 -1.26 -4.65 118.68 107.79 3bgh s LEU 119 Ca -0.14 -0.27 0.01 0.00 0.06 0.00 0.00 54.13 53.79 3bgh s LEU 119 Cb 0.06 2.58 -0.03 0.00 -0.56 0.00 0.00 46.19 48.24 3bgh s LEU 119 CO 0.77 -1.09 -0.09 -0.69 -1.06 0.00 0.00 176.35 174.20 3bgh s VAL 120 N -3.74 3.51 -0.36 1.48 1.01 0.19 -1.16 120.40 121.32 3bgh s VAL 120 Ca 0.06 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 3bgh s VAL 120 Cb -0.03 -2.44 0.06 0.00 0.00 0.00 0.00 36.38 33.97 3bgh s VAL 120 CO -0.04 0.57 0.15 -0.76 0.00 0.00 0.00 175.10 175.02 3bgh s LEU 121 N -0.49 4.61 -0.20 3.92 1.43 0.23 -1.02 118.68 127.16 3bgh s LEU 121 Ca 0.07 -1.36 -0.04 0.00 -1.03 0.00 0.00 54.13 51.77 3bgh s LEU 121 Cb -0.12 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 3bgh s LEU 121 CO 0.02 -0.40 -0.04 -0.13 0.23 0.00 0.00 176.35 176.02 3bgh s ARG 122 N 1.36 3.44 -0.16 1.70 0.52 -0.94 -1.26 118.95 123.61 3bgh s ARG 122 Ca 0.00 -0.61 -0.03 0.00 -0.52 0.00 0.00 55.73 54.58 3bgh s ARG 122 Cb -0.21 -2.98 -0.02 0.00 0.52 0.00 0.00 34.95 32.26 3bgh s ARG 122 CO 0.01 -0.09 -0.06 1.41 0.02 0.00 0.00 175.30 176.59 3bgh s MET 123 N 1.21 3.54 0.05 3.54 1.75 -1.26 -0.03 119.30 128.10 3bgh s MET 123 Ca 0.03 -0.59 0.03 0.00 -1.25 0.00 0.00 55.69 53.91 3bgh s MET 123 Cb -0.14 -2.85 -0.02 0.00 2.84 0.00 0.00 34.83 34.65 3bgh s MET 123 CO -0.01 0.16 -0.09 -0.51 -0.65 0.00 0.00 175.02 173.92 3bgh s ASP 124 N 0.54 1.03 0.00 1.11 1.01 -0.21 -0.84 116.67 119.31 3bgh s ASP 124 Ca -0.05 -0.55 0.00 0.00 0.71 0.00 0.00 52.55 52.66 3bgh s ASP 124 Cb -0.15 0.01 0.00 0.00 1.01 0.00 0.00 42.92 43.80 3bgh s ASP 124 CO 0.03 -0.17 0.00 0.61 0.21 0.00 0.00 175.17 175.85 3bgh n GLY 125 N 1.47 -0.51 3.24 0.21 0.00 -0.72 -0.69 105.19 108.19 3bgh n GLY 125 Ca -0.22 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 3bgh n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bgh s ASN 126 N -4.00 0.02 -0.04 1.61 4.22 -0.30 0.07 114.94 116.52 3bgh s ASN 126 Ca 0.00 -0.56 0.03 0.00 -2.14 0.00 0.00 52.86 50.18 3bgh s ASN 126 Cb 0.00 0.38 0.01 0.00 1.28 0.00 0.00 41.25 42.91 3bgh s ASN 126 CO 0.00 -0.76 -0.11 -0.69 -2.04 0.00 0.00 177.10 173.50 3bgh s VAL 127 N -3.85 0.98 0.09 3.54 1.01 0.29 -0.84 120.40 121.62 3bgh s VAL 127 Ca 0.05 -0.43 0.06 0.00 0.00 0.00 0.00 61.98 61.65 3bgh s VAL 127 Cb 0.04 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 3bgh s VAL 127 CO -0.11 0.31 -0.15 0.00 0.00 0.00 0.00 175.10 175.14 3bgh s ALA 128 N 0.38 1.37 -0.10 5.51 0.00 -0.78 -3.48 121.76 124.67 3bgh s ALA 128 Ca -0.08 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 50.80 3bgh s ALA 128 Cb -0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 23.12 22.89 3bgh s ALA 128 CO 0.02 0.18 -0.24 0.42 0.00 0.00 0.00 175.76 176.14 3bgh s ILE 129 N -1.51 2.11 -0.07 0.00 1.01 -1.26 -1.44 121.20 120.03 3bgh s ILE 129 Ca 0.02 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.65 3bgh s ILE 129 Cb -0.08 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 3bgh s ILE 129 CO 0.03 0.56 0.02 -0.76 0.00 0.00 0.00 174.94 174.79 3bgh s LEU 130 N 0.30 3.69 0.15 2.97 1.02 0.65 -4.87 118.68 122.59 3bgh s LEU 130 Ca -0.17 0.17 0.07 0.00 0.02 0.00 0.00 54.13 54.21 3bgh s LEU 130 Cb -0.18 -1.91 -0.04 0.00 0.02 0.00 0.00 46.19 44.09 3bgh s LEU 130 CO 0.08 0.36 -0.03 -1.61 0.02 0.00 0.00 176.35 175.18 3bgh s GLU 131 N -1.04 2.34 -0.83 1.70 2.02 -1.26 -1.63 118.70 120.00 3bgh s GLU 131 Ca 0.15 -1.07 -0.04 0.00 0.02 0.00 0.00 54.97 54.03 3bgh s GLU 131 Cb -0.11 -2.35 -0.05 0.00 0.10 0.00 0.00 34.13 31.71 3bgh s GLU 131 CO 0.04 0.47 0.73 -0.25 0.02 0.00 0.00 175.26 176.28 3bgh n ASP 132 N 0.14 -6.01 -4.62 -0.19 8.00 -0.93 -4.98 116.55 107.96 3bgh n ASP 132 Ca -0.11 -0.51 -0.34 0.00 0.71 0.00 0.00 54.79 54.54 3bgh n ASP 132 Cb 0.54 -4.44 -0.10 0.00 -0.02 0.00 0.00 41.12 37.10 3bgh n ASP 132 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bgh s ILE 133 N -3.27 4.45 -0.10 0.53 1.01 -0.38 -4.90 121.20 118.54 3bgh s ILE 133 Ca 0.32 -0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.70 3bgh s ILE 133 Cb -0.04 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.43 3bgh s ILE 133 CO 0.61 0.52 0.25 -0.69 0.00 0.00 0.00 174.94 175.63 3bgh s VAL 134 N -0.04 5.32 -0.18 2.92 1.01 -1.26 -0.66 120.40 127.51 3bgh s VAL 134 Ca 0.04 0.46 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 3bgh s VAL 134 Cb -0.13 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.72 3bgh s VAL 134 CO 0.02 0.55 -0.14 -1.61 0.00 0.00 0.00 175.10 173.92 3bgh s GLU 135 N -0.65 3.19 0.63 2.72 2.02 -0.11 -5.01 118.70 121.49 3bgh s GLU 135 Ca 0.17 -0.74 -0.11 0.00 0.02 0.00 0.00 54.97 54.31 3bgh s GLU 135 Cb -0.13 -2.70 -0.03 0.00 0.10 0.00 0.00 34.13 31.36 3bgh s GLU 135 CO 0.06 -0.10 1.03 -1.21 0.02 0.00 0.00 175.26 175.06 3bgh s GLU 136 N 1.12 3.53 0.57 1.61 2.02 -1.26 -1.21 118.70 125.08 3bgh s GLU 136 Ca 0.01 0.78 -0.16 0.00 0.02 0.00 0.00 54.97 55.61 3bgh s GLU 136 Cb -0.14 -2.07 -0.05 0.00 0.10 0.00 0.00 34.13 31.97 3bgh s GLU 136 CO -0.05 -0.63 1.04 -1.54 0.02 0.00 0.00 175.26 174.10 3bgh s SER 137 N -4.12 6.01 0.00 -0.19 1.04 -1.26 -4.59 113.70 110.60 3bgh s SER 137 Ca 0.55 1.75 0.00 0.00 0.48 0.00 0.00 55.95 58.73 3bgh s SER 137 Cb -0.11 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.48 3bgh s SER 137 CO 0.54 -1.01 0.00 -0.90 0.98 0.00 0.00 173.24 172.85 3bgh n ASP 138 N -1.92 0.34 0.13 7.02 5.68 -0.90 -4.91 116.55 122.00 3bgh n ASP 138 Ca 0.08 -0.48 0.04 0.00 -0.50 0.00 0.00 54.79 53.94 3bgh n ASP 138 Cb 0.53 0.00 0.46 0.00 -1.14 0.00 0.00 41.12 40.97 3bgh n ASP 138 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3bgh h ALA 139 N 1.00 1.68 0.00 2.12 0.00 -2.02 -3.22 119.26 118.82 3bgh h ALA 139 Ca 0.00 -0.11 -0.37 0.00 0.00 0.00 0.00 54.91 54.42 3bgh h ALA 139 Cb 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 3bgh h ALA 139 CO 0.00 0.24 -2.41 1.28 0.00 0.00 0.00 179.25 178.36 3bgh n LEU 140 N -4.39 0.77 -4.66 0.00 4.77 -1.26 -5.01 117.00 107.22 3bgh n LEU 140 Ca -0.00 -0.04 -0.31 0.00 -0.03 0.00 0.00 56.01 55.63 3bgh n LEU 140 Cb 0.18 0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.31 3bgh n LEU 140 CO 0.36 0.61 -0.35 -0.44 -1.33 0.00 0.00 177.39 176.25 3bgh s SER 141 N -5.75 4.92 0.44 -1.43 0.01 -1.22 -5.11 113.70 105.56 3bgh s SER 141 Ca -0.16 -0.18 -0.20 0.00 1.31 0.00 0.00 55.95 56.72 3bgh s SER 141 Cb 0.07 -1.16 -0.10 0.00 0.21 0.00 0.00 66.02 65.04 3bgh s SER 141 CO 0.77 0.20 0.95 -1.61 0.41 0.00 0.00 173.24 173.96 3bgh s GLU 142 N -2.10 4.18 0.30 12.44 2.02 -1.26 -2.11 118.70 132.17 3bgh s GLU 142 Ca 0.23 1.08 -0.30 0.00 0.02 0.00 0.00 54.97 56.01 3bgh s GLU 142 Cb -0.12 -2.18 -0.12 0.00 0.10 0.00 0.00 34.13 31.82 3bgh s GLU 142 CO 0.16 -0.07 1.45 -1.91 0.02 0.00 0.00 175.26 174.91 3bgh n GLU 143 N -0.79 2.36 -3.90 1.61 2.13 -1.26 -4.53 120.64 116.27 3bgh n GLU 143 Ca 0.07 0.84 -0.11 0.00 0.66 0.00 0.00 57.16 58.61 3bgh n GLU 143 Cb 0.54 -2.53 -0.12 0.00 0.27 0.00 0.00 31.44 29.60 3bgh n GLU 143 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3bgh s LYS 144 N -1.06 0.16 -0.17 5.31 1.02 -0.35 -1.36 119.74 123.30 3bgh s LYS 144 Ca 0.61 -0.19 -0.07 0.00 0.02 0.00 0.00 55.97 56.34 3bgh s LYS 144 Cb -0.55 0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.78 3bgh s LYS 144 CO 0.55 -0.03 0.07 0.08 -0.92 0.00 0.00 175.35 175.10 3bgh s VAL 145 N -0.56 4.87 0.15 3.17 1.01 -0.48 -0.93 120.40 127.63 3bgh s VAL 145 Ca -0.06 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 61.95 3bgh s VAL 145 Cb -0.04 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3bgh s VAL 145 CO -0.00 0.49 -0.09 0.27 0.00 0.00 0.00 175.10 175.77 3bgh s ILE 146 N 0.07 1.11 0.21 2.22 -4.36 0.17 -0.65 121.20 119.96 3bgh s ILE 146 Ca 0.06 -2.05 0.04 0.00 -0.26 0.00 0.00 60.65 58.44 3bgh s ILE 146 Cb -0.12 -1.89 -0.03 0.00 1.25 0.00 0.00 42.46 41.67 3bgh s ILE 146 CO 0.01 -0.71 0.34 -1.81 0.24 0.00 0.00 174.94 173.01 3bgh s ASP 147 N -3.17 6.33 -0.12 4.36 1.01 -0.21 -1.25 116.67 123.61 3bgh s ASP 147 Ca 0.18 0.13 -0.21 0.00 0.71 0.00 0.00 52.55 53.36 3bgh s ASP 147 Cb 0.03 -1.89 0.05 0.00 1.01 0.00 0.00 42.92 42.12 3bgh s ASP 147 CO 0.01 -0.03 0.52 -0.32 0.21 0.00 0.00 175.17 175.56 3bgh s MET 148 N -3.69 0.73 0.40 8.23 1.75 -0.64 -1.17 119.30 124.92 3bgh s MET 148 Ca 0.35 0.42 -0.08 0.00 -1.25 0.00 0.00 55.69 55.13 3bgh s MET 148 Cb -0.10 0.35 -0.05 0.00 2.84 0.00 0.00 34.83 37.86 3bgh s MET 148 CO 0.29 -0.16 0.73 -1.54 -0.65 0.00 0.00 175.02 173.69 3bgh s SER 149 N -0.41 6.43 0.41 1.11 1.04 -0.61 -0.25 113.70 121.42 3bgh s SER 149 Ca -0.06 0.99 0.04 0.00 0.48 0.00 0.00 55.95 57.40 3bgh s SER 149 Cb -0.03 -2.26 -0.03 0.00 0.10 0.00 0.00 66.02 63.80 3bgh s SER 149 CO 0.04 -0.41 0.11 -0.94 0.98 0.00 0.00 173.24 173.02 3bgh s SER 150 N -3.42 2.86 0.00 7.02 1.04 -0.52 -1.20 113.70 119.48 3bgh s SER 150 Ca 0.49 -1.65 0.00 0.00 0.48 0.00 0.00 55.95 55.27 3bgh s SER 150 Cb -0.10 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3bgh s SER 150 CO 0.35 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 174.28 3bgh n GLY 151 N -0.92 1.82 3.59 7.32 0.00 -1.26 -1.86 105.19 113.88 3bgh n GLY 151 Ca -0.07 -2.14 -0.14 0.00 0.00 0.00 0.00 46.02 43.67 3bgh n GLY 151 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3bgh s TYR 152 N -1.50 -0.65 -0.08 1.61 5.04 -0.02 -2.50 117.35 119.24 3bgh s TYR 152 Ca 0.00 1.41 0.03 0.00 -2.44 0.00 0.00 57.07 56.06 3bgh s TYR 152 Cb 0.00 0.35 0.01 0.00 0.35 0.00 0.00 41.96 42.67 3bgh s TYR 152 CO 0.00 -0.42 -0.15 -0.51 -1.34 0.00 0.00 175.55 173.13 3bgh s LEU 153 N -0.28 1.76 -0.10 6.97 1.02 -0.34 -1.15 118.68 126.56 3bgh s LEU 153 Ca -0.03 -0.38 0.00 0.00 0.02 0.00 0.00 54.13 53.74 3bgh s LEU 153 Cb -0.03 -1.01 -0.02 0.00 0.02 0.00 0.00 46.19 45.14 3bgh s LEU 153 CO 0.02 0.06 -0.09 0.21 0.02 0.00 0.00 176.35 176.57 3bgh s ASN 154 N 0.67 4.37 -0.27 2.29 2.47 0.14 -0.23 114.94 124.38 3bgh s ASN 154 Ca -0.14 -0.17 -0.00 0.00 0.42 0.00 0.00 52.86 52.97 3bgh s ASN 154 Cb -0.16 -1.37 0.05 0.00 -1.45 0.00 0.00 41.25 38.31 3bgh s ASN 154 CO 0.04 0.26 -0.05 -0.22 -3.72 0.00 0.00 177.10 173.40 3bgh s LEU 155 N -0.19 3.53 0.08 3.21 2.96 0.87 -1.05 118.68 128.09 3bgh s LEU 155 Ca 0.02 -1.19 -0.19 0.00 -0.22 0.00 0.00 54.13 52.55 3bgh s LEU 155 Cb -0.13 -1.65 -0.07 0.00 0.50 0.00 0.00 46.19 44.85 3bgh s LEU 155 CO 0.03 -0.20 0.58 0.20 -1.32 0.00 0.00 176.35 175.64 3bgh s ASN 156 N 1.23 7.07 -0.41 3.68 0.01 0.95 -1.45 114.94 126.02 3bgh s ASN 156 Ca -0.05 1.27 -0.12 0.00 -0.71 0.00 0.00 52.86 53.26 3bgh s ASN 156 Cb -0.19 -2.36 0.05 0.00 0.41 0.00 0.00 41.25 39.16 3bgh s ASN 156 CO -0.03 0.26 0.26 -0.36 -1.51 0.00 0.00 177.10 175.72 3bgh s PHE 157 N -1.13 3.27 -0.11 2.20 0.08 0.12 -2.21 117.98 120.20 3bgh s PHE 157 Ca 0.30 -1.11 0.01 0.00 0.12 0.00 0.00 56.93 56.25 3bgh s PHE 157 Cb -0.19 -2.74 -0.02 0.00 -0.57 0.00 0.00 43.02 39.50 3bgh s PHE 157 CO 0.19 -0.73 -0.14 0.08 -0.10 0.00 0.00 175.22 174.52 3bgh s VAL 158 N 1.54 3.03 0.03 -0.44 1.01 -0.19 -0.36 120.40 125.01 3bgh s VAL 158 Ca 0.03 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 3bgh s VAL 158 Cb -0.21 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 3bgh s VAL 158 CO 0.06 0.54 1.25 -1.83 0.00 0.00 0.00 175.10 175.12 3bgh s GLU 159 N 0.13 4.38 0.49 2.72 4.04 -0.74 0.55 118.70 130.27 3bgh s GLU 159 Ca -0.07 1.81 0.18 0.00 0.04 0.00 0.00 54.97 56.94 3bgh s GLU 159 Cb -0.15 -3.42 1.22 0.00 0.02 0.00 0.00 34.13 31.80 3bgh s GLU 159 CO 0.05 -0.37 2.04 -1.35 -1.84 0.00 0.00 175.26 173.79 3bgh h PRO 160 N 7.12 0.15 0.00 -4.83 0.11 -1.84 -2.65 132.00 130.06 3bgh h PRO 160 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3bgh h PRO 160 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3bgh h PRO 160 CO 0.85 0.10 -0.04 0.87 -0.21 0.00 0.00 178.00 179.56 3bgh h LYS 161 N 0.15 0.00 0.00 1.05 6.56 -1.93 -3.38 116.57 119.02 3bgh h LYS 161 Ca 0.17 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.76 3bgh h LYS 161 Cb 0.49 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 3bgh h LYS 161 CO -0.02 0.00 0.00 -1.13 -2.06 0.00 0.00 179.45 176.24 3bgh n SER 162 N -2.50 0.49 -0.60 0.86 3.41 -1.26 -4.85 113.62 109.16 3bgh n SER 162 Ca -0.01 0.64 -0.08 0.00 -0.26 0.00 0.00 58.87 59.17 3bgh n SER 162 Cb 0.02 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.20 3bgh n SER 162 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bgh n GLU 163 N -2.06 -1.42 -1.95 4.33 1.02 -1.00 -4.99 120.64 114.56 3bgh n GLU 163 Ca 0.02 0.73 -0.41 0.00 -0.02 0.00 0.00 57.16 57.48 3bgh n GLU 163 Cb 0.18 -4.95 -0.01 0.00 -0.02 0.00 0.00 31.44 26.64 3bgh n GLU 163 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3bgh s ASP 164 N -2.38 6.56 -0.10 1.62 1.11 -1.26 -4.79 116.67 117.43 3bgh s ASP 164 Ca 0.00 2.86 -0.25 0.00 0.18 0.00 0.00 52.55 55.34 3bgh s ASP 164 Cb 0.00 -2.65 -0.03 0.00 1.07 0.00 0.00 42.92 41.31 3bgh s ASP 164 CO 0.00 -0.71 0.77 -0.63 1.18 0.00 0.00 175.17 175.77 3bgh s ILE 165 N -0.99 4.97 -0.08 0.77 1.01 -1.26 -1.78 121.20 123.84 3bgh s ILE 165 Ca 0.52 1.55 0.21 0.00 0.00 0.00 0.00 60.65 62.93 3bgh s ILE 165 Cb -0.43 -4.09 -0.31 0.00 0.01 0.00 0.00 42.46 37.63 3bgh s ILE 165 CO 0.56 0.16 0.37 -0.38 0.00 0.00 0.00 174.94 175.65 3bgh n ILE 166 N 4.16 0.43 -3.57 2.92 2.08 0.51 -4.99 119.36 120.90 3bgh n ILE 166 Ca 0.01 -0.61 -0.14 0.00 0.56 0.00 0.00 62.75 62.57 3bgh n ILE 166 Cb 0.50 -0.14 -0.06 0.00 -0.75 0.00 0.00 39.64 39.19 3bgh n ILE 166 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 3bgh s HIS 167 N -3.21 -0.58 -0.05 1.39 2.46 -1.20 -5.03 115.29 109.07 3bgh s HIS 167 Ca -0.08 1.13 0.04 0.00 0.47 0.00 0.00 55.06 56.62 3bgh s HIS 167 Cb 0.12 0.39 -0.00 0.00 -0.13 0.00 0.00 32.58 32.96 3bgh s HIS 167 CO 0.88 -0.46 -0.17 -1.12 -2.47 0.00 0.00 174.74 171.41 3bgh s SER 168 N -0.76 2.14 -0.14 9.88 0.01 -1.26 -0.70 113.70 122.87 3bgh s SER 168 Ca -0.05 -0.35 0.02 0.00 1.31 0.00 0.00 55.95 56.87 3bgh s SER 168 Cb -0.01 -0.65 0.02 0.00 0.21 0.00 0.00 66.02 65.58 3bgh s SER 168 CO 0.05 0.14 -0.18 0.12 0.41 0.00 0.00 173.24 173.78 3bgh s PHE 169 N 0.12 2.33 -0.07 2.43 2.19 -0.53 -4.97 117.98 119.48 3bgh s PHE 169 Ca -0.06 -1.21 0.01 0.00 0.33 0.00 0.00 56.93 56.00 3bgh s PHE 169 Cb -0.12 -1.64 -0.03 0.00 -1.31 0.00 0.00 43.02 39.92 3bgh s PHE 169 CO 0.03 -0.60 -0.06 0.20 1.83 0.00 0.00 175.22 176.61 3bgh s GLY 170 N 1.07 1.71 -0.18 13.12 0.00 -1.26 -0.09 107.32 121.69 3bgh s GLY 170 Ca -0.03 -0.89 -0.01 0.00 0.00 0.00 0.00 44.72 43.80 3bgh s GLY 170 CO -0.05 -0.66 -0.12 -0.42 0.00 0.00 0.00 173.10 171.85 3bgh s ILE 171 N -0.82 2.85 -0.14 0.90 1.09 0.68 -5.00 121.20 120.77 3bgh s ILE 171 Ca 0.12 -0.69 -0.29 0.00 -1.10 0.00 0.00 60.65 58.69 3bgh s ILE 171 Cb -0.11 -2.23 -0.01 0.00 -1.06 0.00 0.00 42.46 39.05 3bgh s ILE 171 CO 0.02 0.49 1.02 -0.62 -0.10 0.00 0.00 174.94 175.75 3bgh s ASP 172 N 1.03 7.20 -0.24 3.58 -1.08 -1.26 -1.19 116.67 124.70 3bgh s ASP 172 Ca -0.01 1.50 0.11 0.00 -0.52 0.00 0.00 52.55 53.63 3bgh s ASP 172 Cb -0.15 -2.55 0.46 0.00 -1.46 0.00 0.00 42.92 39.22 3bgh s ASP 172 CO -0.02 -0.52 1.36 1.33 0.52 0.00 0.00 175.17 177.84 3bgh n VAL 173 N 4.77 2.36 -3.45 1.11 0.24 -1.04 -4.98 118.33 117.33 3bgh n VAL 173 Ca 0.10 -2.75 -0.20 0.00 -2.04 0.00 0.00 64.34 59.45 3bgh n VAL 173 Cb 0.48 -0.28 -0.00 0.00 -1.47 0.00 0.00 33.84 32.56 3bgh n VAL 173 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3bgh s SER 174 N -2.71 6.02 -0.17 -1.34 1.04 -1.24 -4.46 113.70 110.85 3bgh s SER 174 Ca 0.41 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.83 3bgh s SER 174 Cb 0.38 -1.45 0.00 0.00 0.10 0.00 0.00 66.02 65.05 3bgh s SER 174 CO -0.01 -0.42 0.00 0.29 0.98 0.00 0.00 173.24 174.08 3bgh n LYS 175 N -1.70 -0.76 -2.51 4.02 4.76 -0.34 -4.93 118.16 116.70 3bgh n LYS 175 Ca -0.02 0.32 -0.42 0.00 -2.87 0.00 0.00 58.31 55.32 3bgh n LYS 175 Cb 0.58 -3.97 -0.03 0.00 -1.84 0.00 0.00 35.03 29.77 3bgh n LYS 175 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3bgh s ILE 176 N -1.74 4.39 0.06 -0.18 1.01 -1.26 -4.86 121.20 118.63 3bgh s ILE 176 Ca 0.00 1.69 0.05 0.00 0.00 0.00 0.00 60.65 62.40 3bgh s ILE 176 Cb 0.00 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 3bgh s ILE 176 CO 0.00 -0.03 -0.07 -0.54 0.00 0.00 0.00 174.94 174.30 3bgh s LYS 177 N 2.41 2.36 -0.03 2.79 1.02 -1.26 -1.57 119.74 125.46 3bgh s LYS 177 Ca 0.54 -0.88 0.02 0.00 0.02 0.00 0.00 55.97 55.66 3bgh s LYS 177 Cb -0.22 -2.42 0.01 0.00 -0.52 0.00 0.00 37.83 34.68 3bgh s LYS 177 CO 0.19 0.55 -0.06 0.00 -0.92 0.00 0.00 175.35 175.11 3bgh s ALA 178 N -1.15 0.66 -0.16 5.17 0.00 -0.32 -4.88 121.76 121.08 3bgh s ALA 178 Ca 0.21 -0.18 -0.22 0.00 0.00 0.00 0.00 51.96 51.76 3bgh s ALA 178 Cb -0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 3bgh s ALA 178 CO 0.12 0.07 0.67 0.08 0.00 0.00 0.00 175.76 176.71 3bgh s VAL 179 N 0.39 5.01 -0.16 0.00 1.01 -1.26 -1.05 120.40 124.34 3bgh s VAL 179 Ca -0.05 1.31 0.11 0.00 0.00 0.00 0.00 61.98 63.35 3bgh s VAL 179 Cb -0.09 -3.99 -0.18 0.00 0.00 0.00 0.00 36.38 32.12 3bgh s VAL 179 CO 0.00 0.14 0.01 2.30 0.00 0.00 0.00 175.10 177.55 3bgh n ILE 180 N 4.44 1.08 -4.17 2.22 -0.00 0.17 -4.38 119.36 118.72 3bgh n ILE 180 Ca -0.01 -0.61 -0.17 0.00 -0.00 0.00 0.00 62.75 61.96 3bgh n ILE 180 Cb 0.50 -0.71 -0.12 0.00 -0.00 0.00 0.00 39.64 39.31 3bgh n ILE 180 CO 0.00 0.00 0.00 -1.61 -0.00 0.00 0.00 176.55 174.94 3bgh s GLU 181 N -2.38 0.71 0.11 6.28 2.02 -1.08 0.36 118.70 124.72 3bgh s GLU 181 Ca -0.11 -0.78 0.04 0.00 0.02 0.00 0.00 54.97 54.14 3bgh s GLU 181 Cb 0.05 -0.64 -0.04 0.00 0.10 0.00 0.00 34.13 33.61 3bgh s GLU 181 CO 0.60 0.14 -0.11 -0.98 0.02 0.00 0.00 175.26 174.94 3bgh s ARG 182 N -1.42 0.91 -0.28 1.61 1.70 -0.42 -1.39 118.95 119.66 3bgh s ARG 182 Ca -0.04 -1.21 -0.03 0.00 -0.47 0.00 0.00 55.73 53.99 3bgh s ARG 182 Cb -0.09 -0.61 0.03 0.00 -0.57 0.00 0.00 34.95 33.71 3bgh s ARG 182 CO 0.01 0.10 -0.00 0.08 -1.08 0.00 0.00 175.30 174.41 3bgh s VAL 183 N -2.49 3.22 -0.18 4.99 1.01 -0.47 -0.37 120.40 126.11 3bgh s VAL 183 Ca 0.07 -1.06 -0.10 0.00 0.00 0.00 0.00 61.98 60.89 3bgh s VAL 183 Cb -0.03 -2.72 -0.22 0.00 0.00 0.00 0.00 36.38 33.42 3bgh s VAL 183 CO 0.01 0.06 0.17 -0.62 0.00 0.00 0.00 175.10 174.72 3bgh n GLU 184 N 4.71 0.68 -1.98 2.72 1.02 -1.26 -4.29 120.64 122.24 3bgh n GLU 184 Ca -0.15 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 3bgh n GLU 184 Cb 0.46 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 3bgh n GLU 184 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3bgh n HIS 200 N -3.74 -2.96 -2.71 -0.32 8.25 -1.26 -5.10 115.22 107.38 3bgh n HIS 200 Ca -0.36 1.78 -0.40 0.00 -0.26 0.00 0.00 57.72 58.47 3bgh n HIS 200 Cb 0.94 -2.49 -0.05 0.00 1.12 0.00 0.00 29.99 29.51 3bgh n HIS 200 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3bgh s ARG 201 N -0.32 4.77 -0.06 -0.41 1.70 -1.26 -4.99 118.95 118.37 3bgh s ARG 201 Ca 0.00 1.52 0.03 0.00 -0.47 0.00 0.00 55.73 56.80 3bgh s ARG 201 Cb 0.00 -3.30 0.01 0.00 -0.57 0.00 0.00 34.95 31.09 3bgh s ARG 201 CO 0.00 0.37 -0.14 0.42 -1.08 0.00 0.00 175.30 174.87 3bgh s ILE 202 N -0.74 1.24 -0.03 4.99 1.01 0.50 -5.00 121.20 123.17 3bgh s ILE 202 Ca 0.44 -0.55 -0.21 0.00 0.00 0.00 0.00 60.65 60.33 3bgh s ILE 202 Cb -0.26 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.05 3bgh s ILE 202 CO 0.32 0.38 0.62 -0.54 0.00 0.00 0.00 174.94 175.72 3bgh s LYS 203 N 0.55 4.36 -0.27 2.79 1.02 -1.26 -1.30 119.74 125.63 3bgh s LYS 203 Ca -0.13 0.76 -0.09 0.00 0.02 0.00 0.00 55.97 56.52 3bgh s LYS 203 Cb -0.15 -3.38 -0.13 0.00 -0.52 0.00 0.00 37.83 33.64 3bgh s LYS 203 CO 0.04 0.26 -0.32 0.39 -0.92 0.00 0.00 175.35 174.80 3bgh n GLU 204 N 3.11 0.61 -4.23 1.68 1.02 0.16 -4.97 120.64 118.02 3bgh n GLU 204 Ca -0.05 0.23 -0.14 0.00 -0.02 0.00 0.00 57.16 57.18 3bgh n GLU 204 Cb 0.51 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.34 3bgh n GLU 204 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3bgh s THR 205 N -2.51 0.03 0.75 2.62 -4.23 -1.22 -5.07 115.64 106.02 3bgh s THR 205 Ca -0.38 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.12 3bgh s THR 205 Cb 0.13 -2.50 0.14 0.00 1.34 0.00 0.00 72.50 71.61 3bgh s THR 205 CO 0.52 0.00 1.03 1.51 -0.54 0.00 0.00 174.62 177.15 3bgh s ASP 206 N -3.23 4.16 0.16 3.99 3.84 -1.26 -4.84 116.67 119.50 3bgh s ASP 206 Ca 0.39 -0.43 -0.12 0.00 -0.00 0.00 0.00 52.55 52.39 3bgh s ASP 206 Cb 0.06 0.14 0.05 0.00 -1.38 0.00 0.00 42.92 41.78 3bgh s ASP 206 CO 0.16 -2.00 1.67 0.45 -0.00 0.00 0.00 175.17 175.45 3bgh h HIS 207 N -0.64 0.92 -0.57 2.11 3.86 -2.00 -2.81 115.15 116.01 3bgh h HIS 207 Ca -0.35 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 58.72 3bgh h HIS 207 Cb 1.26 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 29.44 3bgh h HIS 207 CO -0.32 0.80 0.26 -0.44 0.86 0.00 0.00 177.93 179.09 3bgh h ASP 208 N 0.77 0.73 0.48 2.45 3.32 -1.97 -0.96 116.42 121.25 3bgh h ASP 208 Ca 0.17 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 57.00 3bgh h ASP 208 Cb 0.35 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3bgh h ASP 208 CO 0.00 0.64 -0.62 1.56 -1.72 0.00 0.00 179.24 179.10 3bgh h GLN 209 N 0.81 0.14 -0.03 3.56 4.20 -1.92 -2.24 115.11 119.63 3bgh h GLN 209 Ca 0.20 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 3bgh h GLN 209 Cb 0.11 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 3bgh h GLN 209 CO -0.02 0.72 0.01 0.00 -0.67 0.00 0.00 178.83 178.86 3bgh h ALA 210 N 1.26 0.04 -0.84 3.87 0.00 -0.96 -1.07 119.26 121.56 3bgh h ALA 210 Ca -0.01 -0.13 0.21 0.00 0.00 0.00 0.00 54.91 54.99 3bgh h ALA 210 Cb 1.12 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 3bgh h ALA 210 CO 0.09 -0.33 0.13 0.82 0.00 0.00 0.00 179.25 179.96 3bgh h ILE 211 N -0.18 0.30 -0.11 0.00 2.04 -1.18 0.47 117.51 118.85 3bgh h ILE 211 Ca 0.01 -0.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 3bgh h ILE 211 Cb 0.25 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 3bgh h ILE 211 CO 0.00 0.03 -0.07 0.03 0.00 0.00 0.00 178.15 178.13 3bgh h ARG 212 N 0.15 0.25 -0.54 2.37 -0.00 -1.23 -0.10 114.38 115.28 3bgh h ARG 212 Ca 0.50 -0.12 0.10 0.00 -0.50 0.00 0.00 59.98 59.97 3bgh h ARG 212 Cb 0.97 -0.00 -0.08 0.00 0.00 0.00 0.00 29.97 30.86 3bgh h ARG 212 CO -0.68 0.62 0.05 0.87 0.00 0.00 0.00 179.97 180.82 3bgh h LYS 213 N -0.12 0.16 -0.30 0.04 1.57 -0.52 -1.75 116.57 115.65 3bgh h LYS 213 Ca 0.02 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 3bgh h LYS 213 Cb 0.55 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 3bgh h LYS 213 CO 0.02 0.11 -0.27 0.82 -0.57 0.00 0.00 179.45 179.56 3bgh h ILE 214 N 0.17 1.30 -0.80 1.86 2.04 -0.81 -2.85 117.51 118.42 3bgh h ILE 214 Ca 0.28 -1.43 -0.04 0.00 1.00 0.00 0.00 64.86 64.67 3bgh h ILE 214 Cb 0.41 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 3bgh h ILE 214 CO -0.41 0.46 0.36 0.24 0.00 0.00 0.00 178.15 178.79 3bgh h MET 215 N 0.45 1.16 -0.27 2.37 2.86 -0.83 -2.11 114.93 118.57 3bgh h MET 215 Ca 0.05 -0.19 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 3bgh h MET 215 Cb 0.83 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 3bgh h MET 215 CO 0.07 0.92 0.15 -0.91 1.06 0.00 0.00 176.91 178.20 3bgh h ASN 216 N 1.14 0.24 -0.90 1.22 2.35 -1.24 0.24 115.58 118.63 3bgh h ASN 216 Ca 0.27 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 3bgh h ASN 216 Cb 0.15 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 3bgh h ASN 216 CO -0.03 0.18 0.53 1.56 -1.65 0.00 0.00 177.43 178.02 3bgh h GLN 217 N 0.32 1.23 0.41 0.81 4.20 -1.43 -0.41 115.11 120.24 3bgh h GLN 217 Ca 0.11 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 3bgh h GLN 217 Cb 0.01 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.53 3bgh h GLN 217 CO -0.06 0.87 -0.20 0.00 -0.67 0.00 0.00 178.83 178.78 3bgh h ALA 218 N 1.34 -0.56 -0.60 3.87 0.00 -0.86 -0.83 119.26 121.62 3bgh h ALA 218 Ca 0.32 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3bgh h ALA 218 Cb -0.04 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 17.88 3bgh h ALA 218 CO -0.06 -0.66 -0.52 -0.92 0.00 0.00 0.00 179.25 177.09 3bgh h TYR 219 N -0.86 -1.64 -0.59 0.00 3.20 -0.42 -0.58 116.97 116.07 3bgh h TYR 219 Ca -0.06 0.09 0.07 0.00 3.14 0.00 0.00 58.73 61.98 3bgh h TYR 219 Cb 0.55 0.79 -0.10 0.00 1.54 0.00 0.00 36.73 39.52 3bgh h TYR 219 CO 0.01 -0.40 -0.53 1.25 -1.64 0.00 0.00 178.16 176.85 3bgh h HIS 220 N -0.21 -1.62 -0.90 -3.82 2.76 -1.05 0.05 115.15 110.35 3bgh h HIS 220 Ca 0.10 0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 3bgh h HIS 220 Cb 0.47 0.79 -0.04 0.00 1.55 0.00 0.00 27.41 30.18 3bgh h HIS 220 CO -0.85 -0.45 0.54 -0.22 -1.30 0.00 0.00 177.93 175.66 3bgh h LYS 221 N -0.26 1.23 -0.05 5.26 3.64 -0.72 0.17 116.57 125.85 3bgh h LYS 221 Ca 0.13 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3bgh h LYS 221 Cb 0.55 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3bgh h LYS 221 CO -0.70 0.86 0.03 0.28 -2.27 0.00 0.00 179.45 177.65 3bgh h VAL 222 N 1.25 1.02 -0.40 2.00 2.07 -0.36 0.60 116.25 122.43 3bgh h VAL 222 Ca 0.32 -0.04 -0.10 0.00 0.82 0.00 0.00 66.70 67.71 3bgh h VAL 222 Cb -0.04 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3bgh h VAL 222 CO -0.06 0.02 -0.15 0.24 0.02 0.00 0.00 177.57 177.64 3bgh h MET 223 N 0.06 0.74 -0.10 1.57 2.86 -0.05 0.07 114.93 120.09 3bgh h MET 223 Ca 0.02 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 3bgh h MET 223 Cb -0.00 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 3bgh h MET 223 CO -0.00 0.85 0.03 0.28 1.06 0.00 0.00 176.91 179.13 3bgh h VAL 224 N 0.67 1.17 -0.27 -2.22 2.07 -0.52 -1.87 116.25 115.29 3bgh h VAL 224 Ca 0.11 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 3bgh h VAL 224 Cb 0.63 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3bgh h VAL 224 CO 0.04 0.16 0.05 0.45 0.02 0.00 0.00 177.57 178.29 3bgh h HIS 225 N -0.02 0.46 0.13 1.57 3.86 -0.60 -2.87 115.15 117.69 3bgh h HIS 225 Ca 0.03 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 3bgh h HIS 225 Cb 0.22 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.56 3bgh h HIS 225 CO -0.00 0.54 -0.06 0.82 0.86 0.00 0.00 177.93 180.08 3bgh h ILE 226 N 0.26 1.01 -0.22 2.45 2.04 -1.04 -1.53 117.51 120.47 3bgh h ILE 226 Ca 0.08 -0.63 0.06 0.00 1.00 0.00 0.00 64.86 65.38 3bgh h ILE 226 Cb 0.32 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 3bgh h ILE 226 CO 0.00 0.15 0.19 0.71 0.00 0.00 0.00 178.15 179.20 3bgh h THR 227 N -0.48 0.70 0.11 -0.27 1.35 -1.41 -1.74 112.91 111.18 3bgh h THR 227 Ca -0.02 0.00 -0.28 0.00 -0.55 0.00 0.00 66.41 65.56 3bgh h THR 227 Cb 0.38 0.86 0.02 0.00 -1.73 0.00 0.00 68.15 67.68 3bgh h THR 227 CO 0.03 0.00 -1.21 0.50 -0.25 0.00 0.00 175.52 174.59 3bgh h LYS 228 N 0.00 0.51 -0.19 4.72 3.64 -1.23 -3.24 116.57 120.79 3bgh h LYS 228 Ca 0.11 -0.70 -0.07 0.00 -1.27 0.00 0.00 60.65 58.72 3bgh h LYS 228 Cb 0.48 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 3bgh h LYS 228 CO -0.00 1.30 -0.20 0.93 -2.27 0.00 0.00 179.45 179.21 3bgh h GLU 229 N 0.22 0.32 -1.93 1.90 4.39 -0.43 -3.23 114.58 115.83 3bgh h GLU 229 Ca -0.16 -0.10 -0.38 0.00 0.34 0.00 0.00 59.36 59.06 3bgh h GLU 229 Cb 1.88 -0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 30.36 3bgh h GLU 229 CO 0.22 0.51 0.19 1.28 -1.16 0.00 0.00 179.01 180.06 3bgh n LEU 230 N -4.19 6.13 -4.83 1.33 4.77 -0.86 -4.74 117.00 114.61 3bgh n LEU 230 Ca -0.00 -3.67 -0.29 0.00 -0.03 0.00 0.00 56.01 52.02 3bgh n LEU 230 Cb 0.34 -1.25 0.12 0.00 -2.33 0.00 0.00 43.42 40.30 3bgh n LEU 230 CO 0.40 1.62 0.75 -0.94 -1.33 0.00 0.00 177.39 177.88 3bgh s SER 231 N 0.79 3.84 0.08 -1.43 1.04 -1.22 -4.85 113.70 111.94 3bgh s SER 231 Ca 0.54 0.86 -0.21 0.00 0.48 0.00 0.00 55.95 57.62 3bgh s SER 231 Cb 0.33 -1.38 -0.11 0.00 0.10 0.00 0.00 66.02 64.96 3bgh s SER 231 CO -0.13 -2.33 1.60 0.50 0.98 0.00 0.00 173.24 173.86 3bgh h LYS 232 N -1.35 0.23 -0.98 4.02 3.64 -1.94 -0.86 116.57 119.34 3bgh h LYS 232 Ca -0.48 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 58.95 3bgh h LYS 232 Cb 1.33 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 33.03 3bgh h LYS 232 CO 0.62 0.34 0.61 -0.22 -2.27 0.00 0.00 179.45 178.54 3bgh h LYS 233 N 0.08 0.99 -0.09 1.90 3.64 -1.97 0.13 116.57 121.24 3bgh h LYS 233 Ca 0.05 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 3bgh h LYS 233 Cb 0.20 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3bgh h LYS 233 CO -0.00 0.66 -0.36 0.45 -2.27 0.00 0.00 179.45 177.92 3bgh h HIS 234 N 1.02 0.53 -0.38 1.91 3.86 -1.84 -2.76 115.15 117.50 3bgh h HIS 234 Ca 0.47 -0.23 -0.05 0.00 -1.16 0.00 0.00 60.37 59.40 3bgh h HIS 234 Cb 0.38 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 3bgh h HIS 234 CO -0.01 0.97 0.06 0.52 0.86 0.00 0.00 177.93 180.33 3bgh h MET 235 N -0.05 0.64 -0.71 2.45 2.86 -0.76 0.10 114.93 119.46 3bgh h MET 235 Ca -0.02 -0.17 -0.04 0.00 -2.06 0.00 0.00 59.70 57.41 3bgh h MET 235 Cb 1.00 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.55 3bgh h MET 235 CO 0.08 0.69 0.28 0.93 1.06 0.00 0.00 176.91 179.95 3bgh h GLU 236 N 0.48 1.05 -0.84 1.72 5.08 -0.86 -0.51 114.58 120.70 3bgh h GLU 236 Ca 0.12 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3bgh h GLU 236 Cb 0.37 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 3bgh h GLU 236 CO 0.01 0.86 0.47 1.25 -1.00 0.00 0.00 179.01 180.60 3bgh h HIS 237 N 1.03 1.14 -0.33 4.33 2.76 -1.30 -2.80 115.15 119.98 3bgh h HIS 237 Ca 0.24 -0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.41 3bgh h HIS 237 Cb 0.20 -0.37 -0.03 0.00 1.55 0.00 0.00 27.41 28.76 3bgh h HIS 237 CO 0.02 0.79 0.15 -0.92 -1.30 0.00 0.00 177.93 176.66 3bgh h TYR 238 N 1.17 0.27 -0.47 5.26 3.20 0.35 -2.23 116.97 124.52 3bgh h TYR 238 Ca 0.30 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.26 3bgh h TYR 238 Cb 0.01 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.14 3bgh h TYR 238 CO 0.00 0.14 0.10 0.93 -1.64 0.00 0.00 178.16 177.70 3bgh h GLU 239 N 0.31 0.23 -0.30 1.82 5.08 -0.96 -2.11 114.58 118.66 3bgh h GLU 239 Ca 0.14 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 3bgh h GLU 239 Cb 0.07 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3bgh h GLU 239 CO -0.11 0.15 -0.30 0.87 -1.00 0.00 0.00 179.01 178.62 3bgh h LYS 240 N 0.24 0.74 -0.71 2.33 6.56 -1.27 -2.57 116.57 121.89 3bgh h LYS 240 Ca 0.23 -0.39 0.03 0.00 -1.06 0.00 0.00 60.65 59.46 3bgh h LYS 240 Cb 0.29 0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.93 3bgh h LYS 240 CO -0.29 1.01 0.47 0.28 -2.06 0.00 0.00 179.45 178.86 3bgh h VAL 241 N 0.49 1.11 -0.00 0.50 2.07 -1.30 -3.52 116.25 115.61 3bgh h VAL 241 Ca 0.05 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3bgh h VAL 241 Cb 0.87 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3bgh h VAL 241 CO 0.07 0.16 0.00 -0.24 0.02 0.00 0.00 177.57 177.58