#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bgh s GLU 41 N 0.00 2.61 0.47 5.55 8.01 -1.26 -4.98 118.70 129.10 3bgh s GLU 41 Ca 0.00 -1.18 -0.24 0.00 0.01 0.00 0.00 54.97 53.57 3bgh s GLU 41 Cb 0.00 -2.39 -0.08 0.00 -4.31 0.00 0.00 34.13 27.34 3bgh s GLU 41 CO 0.00 0.40 1.21 1.28 0.01 0.00 0.00 175.26 178.16 3bgh n LEU 42 N -0.83 4.03 -3.11 1.80 4.77 -1.26 -4.96 117.00 117.44 3bgh n LEU 42 Ca -0.08 1.03 -0.21 0.00 -0.03 0.00 0.00 56.01 56.73 3bgh n LEU 42 Cb 0.58 -1.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.14 3bgh n LEU 42 CO 0.41 -0.92 -0.21 1.57 -1.33 0.00 0.00 177.39 176.92 3bgh n HIS 43 N -0.60 -0.94 -1.99 -1.77 -0.00 -1.26 -5.01 115.22 103.65 3bgh n HIS 43 Ca 0.09 -3.22 -0.41 0.00 0.46 0.00 0.00 57.72 54.64 3bgh n HIS 43 Cb 0.41 0.02 -0.00 0.00 -0.12 0.00 0.00 29.99 30.30 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 1.46 2.91 -3.69 1.57 3.72 -1.26 -4.83 117.46 117.35 3bgh n PHE 44 Ca 0.19 -2.88 -0.11 0.00 -0.05 0.00 0.00 57.45 54.61 3bgh n PHE 44 Cb 0.55 -2.12 -0.11 0.00 -0.94 0.00 0.00 39.48 36.85 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 0.87 -0.60 -0.13 1.38 2.46 -1.26 -4.82 115.29 113.20 3bgh s HIS 45 Ca 0.48 1.25 0.03 0.00 0.47 0.00 0.00 55.06 57.29 3bgh s HIS 45 Cb 0.14 0.21 0.00 0.00 -0.13 0.00 0.00 32.58 32.80 3bgh s HIS 45 CO -0.05 -0.36 -0.22 -0.47 -2.47 0.00 0.00 174.74 171.17 3bgh s TYR 46 N 1.80 2.64 -0.29 3.88 5.04 -1.26 -4.97 117.35 124.19 3bgh s TYR 46 Ca -0.06 -1.19 -0.29 0.00 -2.44 0.00 0.00 57.07 53.09 3bgh s TYR 46 Cb -0.10 -1.78 -0.02 0.00 0.35 0.00 0.00 41.96 40.41 3bgh s TYR 46 CO -0.12 -0.52 1.73 -1.25 -1.34 0.00 0.00 175.55 174.05 3bgh s PRO 47 N 0.62 3.50 -0.88 4.97 0.04 -1.26 -4.91 135.00 137.08 3bgh s PRO 47 Ca -0.12 1.50 -0.25 0.00 0.04 0.00 0.00 61.00 62.17 3bgh s PRO 47 Cb -0.16 -4.14 -0.01 0.00 0.04 0.00 0.00 34.50 30.23 3bgh s PRO 47 CO 0.03 -1.65 1.73 0.42 0.04 0.00 0.00 177.00 177.56 3bgh s ILE 48 N 6.25 3.59 -0.16 0.56 1.01 -1.26 -4.96 121.20 126.24 3bgh s ILE 48 Ca 0.77 -0.33 -0.15 0.00 0.00 0.00 0.00 60.65 60.94 3bgh s ILE 48 Cb -0.23 -4.38 -0.04 0.00 0.01 0.00 0.00 42.46 37.81 3bgh s ILE 48 CO 0.33 -1.31 0.34 -0.54 0.00 0.00 0.00 174.94 173.76 3bgh s LYS 49 N 6.32 4.27 0.00 2.79 1.02 -1.26 -5.02 119.74 127.86 3bgh s LYS 49 Ca 0.60 0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.77 3bgh s LYS 49 Cb -0.06 -3.44 0.00 0.00 -0.52 0.00 0.00 37.83 33.81 3bgh s LYS 49 CO 0.01 0.19 0.00 0.41 -0.92 0.00 0.00 175.35 175.04 3bgh n GLY 50 N 3.42 4.13 3.75 -3.33 0.00 -1.26 -5.13 105.19 106.77 3bgh n GLY 50 Ca -0.10 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 3bgh n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bgh s LYS 51 N -2.57 4.18 0.37 1.61 -2.85 -1.26 -4.97 119.74 114.25 3bgh s LYS 51 Ca 0.00 2.47 -0.26 0.00 -1.00 0.00 0.00 55.97 57.18 3bgh s LYS 51 Cb 0.00 -3.06 -0.11 0.00 -2.06 0.00 0.00 37.83 32.60 3bgh s LYS 51 CO 0.00 -0.56 1.19 0.94 0.10 0.00 0.00 175.35 177.02 3bgh n GLN 52 N 2.33 1.80 -4.50 1.78 -0.06 -1.26 -4.89 117.38 112.57 3bgh n GLN 52 Ca 0.08 0.64 -0.32 0.00 -2.00 0.00 0.00 57.00 55.40 3bgh n GLN 52 Cb 0.38 -2.21 -0.11 0.00 -4.06 0.00 0.00 30.24 24.24 3bgh n GLN 52 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 3bgh s GLU 53 N -1.95 2.48 0.10 3.69 2.56 -1.13 -5.04 118.70 119.41 3bgh s GLU 53 Ca 0.59 -0.76 -0.36 0.00 0.00 0.00 0.00 54.97 54.44 3bgh s GLU 53 Cb -0.57 -2.45 -0.16 0.00 2.00 0.00 0.00 34.13 32.95 3bgh s GLU 53 CO 0.60 0.59 1.34 -0.35 -0.56 0.00 0.00 175.26 176.88 3bgh n PRO 54 N 1.58 1.24 -1.48 4.30 -0.04 -1.26 -4.27 135.00 135.08 3bgh n PRO 54 Ca -0.16 0.45 -0.46 0.00 -0.04 0.00 0.00 63.50 63.30 3bgh n PRO 54 Cb 0.52 -2.09 -0.07 0.00 -0.04 0.00 0.00 33.50 31.82 3bgh n PRO 54 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3bgh n LYS 55 N 2.52 0.94 0.00 0.54 5.02 -1.26 -4.65 118.16 121.26 3bgh n LYS 55 Ca 0.18 0.19 0.15 0.00 -2.02 0.00 0.00 58.31 56.81 3bgh n LYS 55 Cb 0.21 -2.56 0.70 0.00 -0.02 0.00 0.00 35.03 33.35 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 11.36 0.35 0.00 4.39 0.23 -0.75 -4.92 115.26 125.92 3bgh n ASN 56 Ca 0.44 -0.61 0.00 0.00 -0.53 0.00 0.00 54.58 53.88 3bgh n ASN 56 Cb 0.28 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 3bgh n ASN 56 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3bgh n SER 57 N -0.97 0.00 -4.75 0.53 7.64 -1.26 -5.04 113.62 109.78 3bgh n SER 57 Ca 0.16 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.64 3bgh n SER 57 Cb 0.24 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.39 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 -2.44 3.91 -0.20 1.43 3.76 -1.26 -4.89 115.29 115.59 3bgh s HIS 58 Ca 0.00 1.79 -0.07 0.00 -0.15 0.00 0.00 55.06 56.63 3bgh s HIS 58 Cb 0.00 -2.94 -0.04 0.00 1.11 0.00 0.00 32.58 30.71 3bgh s HIS 58 CO 0.00 0.39 0.07 -1.17 -0.85 0.00 0.00 174.74 173.18 3bgh s LEU 59 N -0.78 3.74 -0.09 0.89 2.96 -1.26 -1.51 118.68 122.63 3bgh s LEU 59 Ca 0.41 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 54.36 3bgh s LEU 59 Cb -0.24 -1.96 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 3bgh s LEU 59 CO 0.29 0.13 -0.14 0.68 -1.32 0.00 0.00 176.35 175.99 3bgh s VAL 60 N 0.66 3.05 -0.12 1.68 -7.23 -0.41 0.34 120.40 118.37 3bgh s VAL 60 Ca 0.03 -0.70 -0.22 0.00 -1.81 0.00 0.00 61.98 59.29 3bgh s VAL 60 Cb -0.13 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 3bgh s VAL 60 CO 0.02 0.56 0.67 -0.69 -0.31 0.00 0.00 175.10 175.35 3bgh s VAL 61 N -0.20 5.03 -0.20 1.32 1.01 0.36 -2.26 120.40 125.45 3bgh s VAL 61 Ca 0.00 1.34 -0.02 0.00 0.00 0.00 0.00 61.98 63.30 3bgh s VAL 61 Cb -0.13 -4.00 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 3bgh s VAL 61 CO 0.03 0.19 -0.08 -0.22 0.00 0.00 0.00 175.10 175.01 3bgh s LEU 62 N 1.29 2.73 0.07 3.92 2.96 0.42 -0.38 118.68 129.69 3bgh s LEU 62 Ca 0.34 -0.43 -0.05 0.00 -0.22 0.00 0.00 54.13 53.77 3bgh s LEU 62 Cb -0.17 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.80 3bgh s LEU 62 CO 0.14 0.01 0.31 -0.63 -1.32 0.00 0.00 176.35 174.86 3bgh s ILE 63 N 1.29 5.25 0.13 6.68 1.01 -0.79 -2.22 121.20 132.55 3bgh s ILE 63 Ca 0.03 0.06 -0.31 0.00 0.00 0.00 0.00 60.65 60.43 3bgh s ILE 63 Cb -0.14 -3.60 -0.09 0.00 0.01 0.00 0.00 42.46 38.63 3bgh s ILE 63 CO -0.04 0.21 1.56 -0.70 0.00 0.00 0.00 174.94 175.97 3bgh s GLU 64 N -2.19 4.23 0.29 2.79 2.12 -0.77 -4.64 118.70 120.52 3bgh s GLU 64 Ca 0.34 2.31 -0.29 0.00 0.36 0.00 0.00 54.97 57.68 3bgh s GLU 64 Cb -0.13 -3.28 -0.10 0.00 0.26 0.00 0.00 34.13 30.88 3bgh s GLU 64 CO 0.21 -0.61 1.39 -2.14 -0.54 0.00 0.00 175.26 173.56 3bgh s PRO 65 N 1.52 4.29 -0.52 4.30 0.02 -1.26 -4.82 135.00 138.53 3bgh s PRO 65 Ca 0.70 2.29 -0.14 0.00 0.02 0.00 0.00 61.00 63.87 3bgh s PRO 65 Cb -0.42 -3.08 0.12 0.00 0.02 0.00 0.00 34.50 31.14 3bgh s PRO 65 CO 0.31 -0.33 0.45 0.15 -0.33 0.00 0.00 177.00 177.24 3bgh s LYS 66 N -1.10 2.83 -0.30 5.54 3.01 -0.31 -4.90 119.74 124.51 3bgh s LYS 66 Ca 0.54 -1.71 0.02 0.00 -1.01 0.00 0.00 55.97 53.82 3bgh s LYS 66 Cb -0.41 -4.17 0.07 0.00 -1.01 0.00 0.00 37.83 32.31 3bgh s LYS 66 CO 0.49 -1.27 -0.03 0.42 0.51 0.00 0.00 175.35 175.47 3bgh s ILE 67 N 1.53 2.36 0.72 2.17 -1.09 -1.26 -1.78 121.20 123.85 3bgh s ILE 67 Ca 0.04 -1.86 -0.11 0.00 -2.23 0.00 0.00 60.65 56.48 3bgh s ILE 67 Cb -0.29 -2.51 0.03 0.00 -1.58 0.00 0.00 42.46 38.11 3bgh s ILE 67 CO 0.02 -0.26 1.08 -1.61 -1.23 0.00 0.00 174.94 172.94 3bgh s GLU 68 N 1.06 2.60 0.07 2.79 2.02 -0.51 -4.89 118.70 121.83 3bgh s GLU 68 Ca -0.01 1.13 -0.00 0.00 0.02 0.00 0.00 54.97 56.11 3bgh s GLU 68 Cb -0.20 -1.94 -0.04 0.00 0.10 0.00 0.00 34.13 32.05 3bgh s GLU 68 CO -0.05 -1.38 -0.03 0.96 0.02 0.00 0.00 175.26 174.78 3bgh s ILE 69 N -2.85 0.33 0.66 -1.63 -4.36 -1.26 -1.59 121.20 110.51 3bgh s ILE 69 Ca 0.61 -1.85 0.04 0.00 -0.26 0.00 0.00 60.65 59.19 3bgh s ILE 69 Cb -0.17 -1.62 0.11 0.00 1.25 0.00 0.00 42.46 42.04 3bgh s ILE 69 CO 0.53 -0.91 0.91 0.54 0.24 0.00 0.00 174.94 176.24 3bgh s ASN 70 N -2.97 4.67 0.60 4.36 4.22 -1.17 -4.95 114.94 119.70 3bgh s ASN 70 Ca 0.10 -0.63 0.38 0.00 -2.14 0.00 0.00 52.86 50.57 3bgh s ASN 70 Cb 0.07 0.19 1.84 0.00 1.28 0.00 0.00 41.25 44.63 3bgh s ASN 70 CO -0.07 -1.65 2.15 0.07 -2.04 0.00 0.00 177.10 175.56 3bgh h LYS 71 N -0.21 0.00 0.00 3.55 2.10 -1.95 -2.57 116.57 117.49 3bgh h LYS 71 Ca -0.33 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.28 3bgh h LYS 71 Cb 1.28 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.60 3bgh h LYS 71 CO 0.40 0.00 -0.20 0.28 -2.00 0.00 0.00 179.45 177.92 3bgh h VAL 72 N 0.00 0.39 -3.67 0.07 2.07 -1.95 -3.44 116.25 109.73 3bgh h VAL 72 Ca 0.00 -1.31 -0.62 0.00 0.82 0.00 0.00 66.70 65.59 3bgh h VAL 72 Cb 0.28 1.99 -0.14 0.00 -1.52 0.00 0.00 31.29 31.89 3bgh h VAL 72 CO 0.00 0.20 -0.37 -0.63 0.02 0.00 0.00 177.57 176.79 3bgh s ILE 73 N -3.32 5.26 0.32 4.57 1.01 -0.97 -5.03 121.20 123.05 3bgh s ILE 73 Ca 0.04 0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.79 3bgh s ILE 73 Cb 0.08 -3.61 -0.12 0.00 0.01 0.00 0.00 42.46 38.82 3bgh s ILE 73 CO 0.66 0.25 1.53 -2.65 0.00 0.00 0.00 174.94 174.73 3bgh n PRO 74 N 4.78 2.61 -0.27 2.79 -0.02 -1.26 -4.87 135.00 138.76 3bgh n PRO 74 Ca -0.12 0.92 0.25 0.00 -2.02 0.00 0.00 63.50 62.54 3bgh n PRO 74 Cb 0.51 -2.67 0.60 0.00 -0.02 0.00 0.00 33.50 31.93 3bgh n PRO 74 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3bgh h GLU 75 N 3.96 0.23 -0.03 -0.52 5.08 -1.96 -0.42 114.58 120.92 3bgh h GLU 75 Ca -0.48 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 57.80 3bgh h GLU 75 Cb 1.24 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 3bgh h GLU 75 CO 0.73 0.15 -0.31 0.66 -1.00 0.00 0.00 179.01 179.23 3bgh h SER 76 N 0.24 0.05 -0.37 1.42 4.64 -2.00 -1.82 113.55 115.71 3bgh h SER 76 Ca 0.52 -0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.74 3bgh h SER 76 Cb 1.60 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.66 3bgh h SER 76 CO -0.15 0.37 -0.07 1.88 -0.87 0.00 0.00 176.83 177.99 3bgh h TYR 77 N 0.05 0.78 0.36 4.77 -1.99 -1.43 -0.66 116.97 118.84 3bgh h TYR 77 Ca 0.00 -0.16 -0.00 0.00 2.00 0.00 0.00 58.73 60.57 3bgh h TYR 77 Cb 0.58 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 39.10 3bgh h TYR 77 CO 0.00 0.83 -0.34 0.37 -0.00 0.00 0.00 178.16 179.03 3bgh h GLN 78 N 0.50 -0.69 -0.60 4.88 4.15 -1.42 0.21 115.11 122.15 3bgh h GLN 78 Ca 0.10 0.05 0.10 0.00 0.77 0.00 0.00 58.65 59.66 3bgh h GLN 78 Cb 0.57 0.16 -0.08 0.00 0.21 0.00 0.00 27.48 28.34 3bgh h GLN 78 CO 0.03 -0.46 0.18 0.87 -1.93 0.00 0.00 178.83 177.53 3bgh h LYS 79 N -0.71 0.33 -0.08 1.69 1.57 -1.22 0.32 116.57 118.47 3bgh h LYS 79 Ca -0.02 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.54 3bgh h LYS 79 Cb 0.64 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 3bgh h LYS 79 CO -0.05 0.22 -0.78 1.49 -0.57 0.00 0.00 179.45 179.76 3bgh h GLU 80 N 0.34 0.47 -0.35 3.15 4.57 -0.89 0.19 114.58 122.06 3bgh h GLU 80 Ca 0.31 -0.41 0.01 0.00 -1.18 0.00 0.00 59.36 58.08 3bgh h GLU 80 Cb 0.42 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 3bgh h GLU 80 CO -0.34 1.05 0.23 0.35 -1.18 0.00 0.00 179.01 179.11 3bgh h PHE 81 N 0.31 0.44 -0.26 0.92 3.57 -0.11 -0.60 116.94 121.22 3bgh h PHE 81 Ca -0.04 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.36 3bgh h PHE 81 Cb 1.37 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 3bgh h PHE 81 CO 0.05 0.27 -0.31 0.93 -2.23 0.00 0.00 178.31 177.03 3bgh h GLU 82 N 0.47 0.53 -0.10 1.11 5.08 -0.08 -3.07 114.58 118.52 3bgh h GLU 82 Ca 0.13 -0.23 -0.13 0.00 -1.00 0.00 0.00 59.36 58.13 3bgh h GLU 82 Cb -0.05 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.19 3bgh h GLU 82 CO -0.03 0.78 -0.44 -0.22 -1.00 0.00 0.00 179.01 178.09 3bgh h LYS 83 N 0.46 0.48 -0.85 2.33 3.64 -0.55 -3.01 116.57 119.07 3bgh h LYS 83 Ca 0.06 -0.38 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 3bgh h LYS 83 Cb 0.76 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.62 3bgh h LYS 83 CO 0.06 1.01 0.44 0.77 -2.27 0.00 0.00 179.45 179.47 3bgh h SER 84 N 0.07 1.07 -0.47 4.20 0.02 -1.16 -2.27 113.55 115.02 3bgh h SER 84 Ca -0.03 -0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 60.72 3bgh h SER 84 Cb 1.08 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 3bgh h SER 84 CO 0.09 0.88 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.52 3bgh h LEU 85 N 1.19 0.91 -0.24 5.07 3.38 -1.58 -1.30 115.31 122.74 3bgh h LEU 85 Ca 0.30 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3bgh h LEU 85 Cb 0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3bgh h LEU 85 CO -0.04 1.01 0.01 0.15 0.09 0.00 0.00 178.44 179.66 3bgh h PHE 86 N 0.84 0.45 0.01 1.13 3.57 -1.36 -0.27 116.94 121.31 3bgh h PHE 86 Ca 0.14 -0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 3bgh h PHE 86 Cb 0.59 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 39.22 3bgh h PHE 86 CO 0.04 0.57 -0.47 -0.07 -2.23 0.00 0.00 178.31 176.15 3bgh h LEU 87 N 0.20 0.39 -1.02 0.59 3.38 -1.27 -2.39 115.31 115.20 3bgh h LEU 87 Ca 0.07 -0.79 0.04 0.00 0.09 0.00 0.00 57.88 57.29 3bgh h LEU 87 Cb 0.39 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 3bgh h LEU 87 CO 0.01 1.14 0.66 1.56 0.09 0.00 0.00 178.44 181.89 3bgh h GLN 88 N -0.31 1.21 -0.14 1.13 4.20 -1.29 0.80 115.11 120.71 3bgh h GLN 88 Ca -0.06 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.47 3bgh h GLN 88 Cb 1.22 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 3bgh h GLN 88 CO 0.09 0.80 -0.39 -0.07 -0.67 0.00 0.00 178.83 178.60 3bgh h LEU 89 N 1.25 0.33 -0.21 1.46 3.38 -1.03 0.18 115.31 120.67 3bgh h LEU 89 Ca 0.41 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 3bgh h LEU 89 Cb 0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3bgh h LEU 89 CO -0.14 0.69 0.09 0.28 0.09 0.00 0.00 178.44 179.45 3bgh h SER 90 N 0.27 0.28 -0.61 -0.43 0.02 -0.78 -1.68 113.55 110.61 3bgh h SER 90 Ca 0.03 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3bgh h SER 90 Cb 0.81 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.25 3bgh h SER 90 CO 0.06 0.35 0.33 0.28 -1.14 0.00 0.00 176.83 176.72 3bgh h SER 91 N 0.19 0.77 -0.31 3.07 0.02 -0.42 -0.05 113.55 116.82 3bgh h SER 91 Ca 0.07 -0.10 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3bgh h SER 91 Cb 0.15 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 3bgh h SER 91 CO -0.01 0.64 0.12 0.15 -1.14 0.00 0.00 176.83 176.60 3bgh h PHE 92 N 0.83 0.22 0.38 3.45 3.57 -0.68 -0.28 116.94 124.43 3bgh h PHE 92 Ca 0.22 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 3bgh h PHE 92 Cb 0.05 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3bgh h PHE 92 CO -0.01 0.10 -0.18 -0.07 -2.23 0.00 0.00 178.31 175.92 3bgh h LEU 93 N 0.26 -0.43 -0.22 0.59 3.38 -0.58 -2.77 115.31 115.54 3bgh h LEU 93 Ca 0.14 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.07 3bgh h LEU 93 Cb 0.09 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 3bgh h LEU 93 CO -0.13 -0.16 -0.35 -0.33 0.09 0.00 0.00 178.44 177.56 3bgh h GLU 94 N -0.70 -0.36 0.00 1.13 5.08 -1.06 0.56 114.58 119.23 3bgh h GLU 94 Ca -0.05 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3bgh h GLU 94 Cb 0.49 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3bgh h GLU 94 CO 0.09 -0.24 0.07 -2.13 -1.00 0.00 0.00 179.01 175.80 3bgh n ARG 95 N -5.42 0.00 0.00 2.33 3.00 -0.12 0.26 116.66 116.72 3bgh n ARG 95 Ca -0.02 0.16 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 3bgh n ARG 95 Cb 0.34 -1.57 0.00 0.00 0.00 0.00 0.00 32.46 31.23 3bgh n ARG 95 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 3bgh n LYS 96 N -1.07 -0.77 0.00 -0.14 3.00 0.19 -2.83 118.16 116.53 3bgh n LYS 96 Ca 0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 58.31 57.76 3bgh n LYS 96 Cb 0.07 -0.99 0.00 0.00 0.00 0.00 0.00 35.03 34.11 3bgh n LYS 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3bgh n GLY 97 N -0.03 1.11 3.85 3.14 0.00 0.14 -4.74 105.19 108.67 3bgh n GLY 97 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 3.46 0.15 1.61 2.02 -1.11 -1.82 117.35 119.65 3bgh s TYR 98 Ca 0.00 1.37 -0.14 0.00 -0.37 0.00 0.00 57.07 57.92 3bgh s TYR 98 Cb 0.00 -2.78 -0.07 0.00 -0.40 0.00 0.00 41.96 38.71 3bgh s TYR 98 CO 0.00 -0.74 0.55 -1.12 -1.57 0.00 0.00 175.55 172.68 3bgh s SER 99 N -3.76 6.83 -0.10 2.29 0.01 -0.57 -4.21 113.70 114.20 3bgh s SER 99 Ca 0.57 1.09 0.01 0.00 1.31 0.00 0.00 55.95 58.92 3bgh s SER 99 Cb -0.12 -2.29 0.02 0.00 0.21 0.00 0.00 66.02 63.84 3bgh s SER 99 CO 0.48 0.11 -0.09 -0.69 0.41 0.00 0.00 173.24 173.45 3bgh s VAL 100 N -1.46 1.05 -0.13 3.43 1.01 -1.26 -1.29 120.40 121.75 3bgh s VAL 100 Ca 0.38 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 3bgh s VAL 100 Cb -0.15 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 3bgh s VAL 100 CO 0.19 0.36 -0.10 -0.44 0.00 0.00 0.00 175.10 175.11 3bgh s SER 101 N 1.33 4.30 -0.11 3.32 0.01 -0.96 -5.01 113.70 116.58 3bgh s SER 101 Ca -0.02 -0.24 -0.02 0.00 1.31 0.00 0.00 55.95 56.97 3bgh s SER 101 Cb -0.14 -1.62 -0.03 0.00 0.21 0.00 0.00 66.02 64.44 3bgh s SER 101 CO -0.04 0.18 -0.03 -1.10 0.41 0.00 0.00 173.24 172.66 3bgh s GLN 102 N 0.27 3.26 0.14 12.44 -0.21 -1.26 -0.43 119.66 133.87 3bgh s GLN 102 Ca -0.07 -0.48 -0.05 0.00 0.02 0.00 0.00 55.36 54.78 3bgh s GLN 102 Cb -0.15 -2.81 -0.02 0.00 1.00 0.00 0.00 33.01 31.02 3bgh s GLN 102 CO 0.04 0.48 0.16 -0.06 -2.12 0.00 0.00 175.29 173.80 3bgh s PHE 103 N -0.29 0.62 -0.11 0.91 0.08 -0.94 -4.98 117.98 113.27 3bgh s PHE 103 Ca 0.05 -1.00 0.22 0.00 0.12 0.00 0.00 56.93 56.32 3bgh s PHE 103 Cb -0.12 -0.27 -0.22 0.00 -0.57 0.00 0.00 43.02 41.83 3bgh s PHE 103 CO 0.02 -0.61 0.66 1.63 -0.10 0.00 0.00 175.22 176.83 3bgh n LYS 104 N -0.14 0.64 -3.88 0.44 5.02 -1.26 -1.84 118.16 117.14 3bgh n LYS 104 Ca -0.07 -0.07 -0.10 0.00 -2.02 0.00 0.00 58.31 56.05 3bgh n LYS 104 Cb 0.63 -1.63 -0.08 0.00 -0.02 0.00 0.00 35.03 33.93 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 -4.88 0.10 0.46 4.39 1.01 -1.26 -4.23 116.67 112.27 3bgh s ASP 105 Ca -0.05 -0.49 0.23 0.00 0.71 0.00 0.00 52.55 52.94 3bgh s ASP 105 Cb 0.12 0.28 1.11 0.00 1.01 0.00 0.00 42.92 45.44 3bgh s ASP 105 CO 0.86 -0.59 1.93 0.00 0.21 0.00 0.00 175.17 177.59 3bgh h ALA 106 N 3.33 1.21 0.00 5.23 0.00 -1.99 -2.49 119.26 124.55 3bgh h ALA 106 Ca -0.33 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 3bgh h ALA 106 Cb 1.19 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 3bgh h ALA 106 CO 0.51 0.27 -0.06 0.66 0.00 0.00 0.00 179.25 180.63 3bgh h SER 107 N 0.00 0.00 -0.02 0.00 4.64 -2.02 -2.45 113.55 113.69 3bgh h SER 107 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bgh h SER 107 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3bgh h SER 107 CO 0.03 0.06 0.00 -0.62 -0.87 0.00 0.00 176.83 175.43 3bgh n GLU 108 N -3.24 1.13 -2.82 4.77 1.02 -0.94 -4.81 120.64 115.76 3bgh n GLU 108 Ca -0.00 -0.20 -0.42 0.00 -0.02 0.00 0.00 57.16 56.51 3bgh n GLU 108 Cb 0.28 -1.37 -0.04 0.00 -0.02 0.00 0.00 31.44 30.30 3bgh n GLU 108 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3bgh s ILE 109 N -1.97 4.64 0.51 -3.67 1.01 -0.93 -5.03 121.20 115.76 3bgh s ILE 109 Ca 0.34 1.31 -0.21 0.00 0.00 0.00 0.00 60.65 62.09 3bgh s ILE 109 Cb 0.16 -4.29 -0.07 0.00 0.01 0.00 0.00 42.46 38.28 3bgh s ILE 109 CO 0.27 -0.43 1.14 -2.16 0.00 0.00 0.00 174.94 173.76 3bgh s PRO 110 N 3.33 3.53 0.22 2.79 0.04 -1.26 -4.84 135.00 138.81 3bgh s PRO 110 Ca 0.38 1.66 -0.08 0.00 0.04 0.00 0.00 61.00 63.00 3bgh s PRO 110 Cb -0.13 -2.16 0.37 0.00 0.04 0.00 0.00 34.50 32.62 3bgh s PRO 110 CO 0.16 -0.71 1.71 1.96 0.04 0.00 0.00 177.00 180.15 3bgh h GLN 111 N 1.54 0.30 -0.91 4.56 1.08 -1.99 0.14 115.11 119.84 3bgh h GLN 111 Ca -0.50 -0.02 0.26 0.00 -1.45 0.00 0.00 58.65 56.94 3bgh h GLN 111 Cb 1.25 -0.07 -0.15 0.00 -0.05 0.00 0.00 27.48 28.47 3bgh h GLN 111 CO 0.58 0.20 0.29 0.22 -0.95 0.00 0.00 178.83 179.17 3bgh h ASP 112 N 0.31 0.08 0.20 1.46 1.82 -2.00 0.63 116.42 118.92 3bgh h ASP 112 Ca 0.36 0.20 -0.01 0.00 -0.39 0.00 0.00 57.03 57.19 3bgh h ASP 112 Cb 0.55 0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.81 3bgh h ASP 112 CO -0.42 -0.17 -0.10 0.40 -1.61 0.00 0.00 179.24 177.34 3bgh h ILE 113 N 0.22 0.70 -0.93 2.25 1.08 -1.39 -3.17 117.51 116.27 3bgh h ILE 113 Ca 0.59 -1.02 0.27 0.00 -0.39 0.00 0.00 64.86 64.31 3bgh h ILE 113 Cb 1.24 1.16 -0.16 0.00 -3.07 0.00 0.00 36.82 36.00 3bgh h ILE 113 CO -0.66 0.18 0.21 0.11 -0.69 0.00 0.00 178.15 177.30 3bgh h LYS 114 N -0.90 0.12 0.00 2.37 1.57 -0.40 0.13 116.57 119.45 3bgh h LYS 114 Ca -0.03 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3bgh h LYS 114 Cb 0.50 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3bgh h LYS 114 CO 0.05 0.08 -0.25 0.93 -0.57 0.00 0.00 179.45 179.69 3bgh h GLU 115 N 0.12 0.00 0.00 3.15 4.39 -0.95 -3.30 114.58 118.00 3bgh h GLU 115 Ca 0.61 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 60.03 3bgh h GLU 115 Cb 1.30 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.89 3bgh h GLU 115 CO -0.75 0.25 -2.24 1.17 -1.16 0.00 0.00 179.01 176.28 3bgh n LYS 116 N -4.04 0.81 -2.13 2.33 4.81 0.33 -5.02 118.16 115.25 3bgh n LYS 116 Ca -0.02 -0.05 -0.37 0.00 -0.87 0.00 0.00 58.31 57.00 3bgh n LYS 116 Cb 0.32 -1.49 0.01 0.00 0.02 0.00 0.00 35.03 33.88 3bgh n LYS 116 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3bgh s ALA 117 N -2.67 2.91 0.08 3.14 0.00 -0.50 -4.68 121.76 120.03 3bgh s ALA 117 Ca -0.09 1.03 -0.14 0.00 0.00 0.00 0.00 51.96 52.76 3bgh s ALA 117 Cb 0.07 -3.43 -0.19 0.00 0.00 0.00 0.00 23.12 19.57 3bgh s ALA 117 CO 0.80 -0.86 1.24 1.25 0.00 0.00 0.00 175.76 178.20 3bgh h LEU 118 N 1.83 0.86 -7.17 0.00 5.85 -0.48 -3.46 115.31 112.75 3bgh h LEU 118 Ca -0.50 -0.67 -0.08 0.00 0.84 0.00 0.00 57.88 57.47 3bgh h LEU 118 Cb 1.26 -0.26 -0.21 0.00 0.37 0.00 0.00 40.66 41.83 3bgh h LEU 118 CO 0.59 1.41 -0.00 -0.22 -0.34 0.00 0.00 178.44 179.88 3bgh s LEU 119 N -8.35 -0.16 -0.18 2.25 2.96 -1.24 -4.70 118.68 109.26 3bgh s LEU 119 Ca -0.11 0.77 -0.00 0.00 -0.22 0.00 0.00 54.13 54.57 3bgh s LEU 119 Cb 0.07 2.05 0.00 0.00 0.50 0.00 0.00 46.19 48.81 3bgh s LEU 119 CO 0.89 -0.41 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.68 3bgh s VAL 120 N -0.60 2.62 -0.09 1.68 1.01 -0.12 -0.49 120.40 124.40 3bgh s VAL 120 Ca -0.07 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 3bgh s VAL 120 Cb -0.03 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 3bgh s VAL 120 CO 0.05 0.50 0.11 -0.76 0.00 0.00 0.00 175.10 175.00 3bgh s LEU 121 N 1.14 4.16 -0.29 3.92 1.43 0.49 -1.00 118.68 128.52 3bgh s LEU 121 Ca 0.01 0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.49 3bgh s LEU 121 Cb -0.14 -2.06 0.19 0.00 0.03 0.00 0.00 46.19 44.20 3bgh s LEU 121 CO -0.05 0.38 0.55 -0.60 0.23 0.00 0.00 176.35 176.86 3bgh s ARG 122 N -1.11 0.52 -0.23 1.70 3.52 -1.03 -1.89 118.95 120.43 3bgh s ARG 122 Ca 0.16 0.63 -0.08 0.00 -0.13 0.00 0.00 55.73 56.31 3bgh s ARG 122 Cb -0.12 0.20 -0.04 0.00 -1.56 0.00 0.00 34.95 33.44 3bgh s ARG 122 CO 0.05 -0.89 0.09 1.41 -0.81 0.00 0.00 175.30 175.16 3bgh s MET 123 N 2.77 3.82 0.09 5.12 1.75 -1.26 -0.58 119.30 131.01 3bgh s MET 123 Ca 0.13 -0.40 0.05 0.00 -1.25 0.00 0.00 55.69 54.22 3bgh s MET 123 Cb -0.12 -3.34 -0.03 0.00 2.84 0.00 0.00 34.83 34.18 3bgh s MET 123 CO -0.24 -0.02 -0.12 -0.51 -0.65 0.00 0.00 175.02 173.48 3bgh s ASP 124 N 1.18 1.59 0.00 1.11 1.01 -0.38 -1.17 116.67 120.02 3bgh s ASP 124 Ca 0.05 -0.72 0.00 0.00 0.71 0.00 0.00 52.55 52.59 3bgh s ASP 124 Cb -0.14 -0.03 0.00 0.00 1.01 0.00 0.00 42.92 43.76 3bgh s ASP 124 CO 0.04 -0.17 0.00 0.61 0.21 0.00 0.00 175.17 175.86 3bgh n GLY 125 N 0.87 -0.52 3.48 0.21 0.00 -0.73 -0.08 105.19 108.41 3bgh n GLY 125 Ca -0.18 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.52 -0.02 1.61 4.22 -1.00 -1.42 114.94 113.81 3bgh s ASN 126 Ca 0.00 0.24 0.01 0.00 -2.14 0.00 0.00 52.86 50.96 3bgh s ASN 126 Cb 0.00 0.50 0.01 0.00 1.28 0.00 0.00 41.25 43.04 3bgh s ASN 126 CO 0.00 -0.72 -0.01 0.54 -2.04 0.00 0.00 177.10 174.87 3bgh s VAL 127 N -2.63 0.17 0.04 3.54 0.11 -0.62 -1.39 120.40 119.63 3bgh s VAL 127 Ca -0.02 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.08 3bgh s VAL 127 Cb -0.01 -0.21 -0.02 0.00 -1.53 0.00 0.00 36.38 34.61 3bgh s VAL 127 CO -0.04 0.10 -0.12 0.00 -3.33 0.00 0.00 175.10 171.71 3bgh s ALA 128 N 0.51 0.97 -0.16 1.54 0.00 -0.43 -3.02 121.76 121.18 3bgh s ALA 128 Ca -0.05 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.11 3bgh s ALA 128 Cb -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 3bgh s ALA 128 CO -0.01 0.14 -0.13 0.42 0.00 0.00 0.00 175.76 176.18 3bgh s ILE 129 N -1.00 2.88 -0.09 0.00 1.01 -1.26 -0.83 121.20 121.91 3bgh s ILE 129 Ca -0.02 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 59.84 3bgh s ILE 129 Cb -0.08 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 3bgh s ILE 129 CO 0.01 0.51 0.22 -0.76 0.00 0.00 0.00 174.94 174.91 3bgh s LEU 130 N 0.75 4.40 0.09 2.97 1.02 0.56 -4.82 118.68 123.64 3bgh s LEU 130 Ca -0.06 0.60 0.06 0.00 0.02 0.00 0.00 54.13 54.75 3bgh s LEU 130 Cb -0.15 -2.22 -0.04 0.00 0.02 0.00 0.00 46.19 43.80 3bgh s LEU 130 CO 0.01 0.37 -0.06 -1.61 0.02 0.00 0.00 176.35 175.08 3bgh s GLU 131 N -0.96 2.29 -0.74 1.70 2.02 -1.26 -0.96 118.70 120.80 3bgh s GLU 131 Ca 0.17 -0.94 -0.03 0.00 0.02 0.00 0.00 54.97 54.19 3bgh s GLU 131 Cb -0.13 -2.40 -0.03 0.00 0.10 0.00 0.00 34.13 31.67 3bgh s GLU 131 CO 0.06 0.52 0.64 -0.25 0.02 0.00 0.00 175.26 176.26 3bgh n ASP 132 N 0.71 -4.29 -4.66 -0.19 8.00 -0.97 -4.97 116.55 110.18 3bgh n ASP 132 Ca -0.13 -0.46 -0.35 0.00 0.71 0.00 0.00 54.79 54.56 3bgh n ASP 132 Cb 0.52 -3.68 -0.09 0.00 -0.02 0.00 0.00 41.12 37.85 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 -3.26 4.55 -0.10 0.53 1.01 -0.47 -4.92 121.20 118.55 3bgh s ILE 133 Ca 0.23 -0.14 -0.06 0.00 0.00 0.00 0.00 60.65 60.68 3bgh s ILE 133 Cb -0.03 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 3bgh s ILE 133 CO 0.50 0.54 0.13 -0.69 0.00 0.00 0.00 174.94 175.42 3bgh s VAL 134 N -0.31 5.35 -0.32 2.92 1.01 -1.26 0.89 120.40 128.68 3bgh s VAL 134 Ca 0.08 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.18 3bgh s VAL 134 Cb -0.12 -3.35 0.09 0.00 0.00 0.00 0.00 36.38 33.00 3bgh s VAL 134 CO 0.02 0.57 0.02 -1.61 0.00 0.00 0.00 175.10 174.10 3bgh s GLU 135 N -1.16 1.55 0.51 2.72 2.02 0.93 -4.99 118.70 120.29 3bgh s GLU 135 Ca 0.17 -1.70 -0.20 0.00 0.02 0.00 0.00 54.97 53.26 3bgh s GLU 135 Cb -0.12 -3.04 -0.10 0.00 0.10 0.00 0.00 34.13 30.97 3bgh s GLU 135 CO 0.06 -0.87 0.59 0.39 0.02 0.00 0.00 175.26 175.45 3bgh n GLU 136 N 4.34 0.63 -1.36 1.61 1.02 -1.26 -1.89 120.64 123.73 3bgh n GLU 136 Ca -0.00 0.24 -0.31 0.00 -0.02 0.00 0.00 57.16 57.07 3bgh n GLU 136 Cb 0.42 -1.69 0.09 0.00 -0.02 0.00 0.00 31.44 30.24 3bgh n GLU 136 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3bgh s SER 137 N -1.06 4.56 0.08 1.62 1.04 -1.26 -4.68 113.70 114.01 3bgh s SER 137 Ca 0.67 1.67 -0.01 0.00 0.48 0.00 0.00 55.95 58.76 3bgh s SER 137 Cb -0.50 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.21 3bgh s SER 137 CO 0.56 -1.97 0.12 -0.90 0.98 0.00 0.00 173.24 172.02 3bgh n ASP 138 N -3.47 -0.35 -0.41 7.02 5.75 -0.80 -4.91 116.55 119.37 3bgh n ASP 138 Ca 0.08 -1.44 0.40 0.00 -0.01 0.00 0.00 54.79 53.82 3bgh n ASP 138 Cb 0.54 0.63 0.76 0.00 -1.03 0.00 0.00 41.12 42.02 3bgh n ASP 138 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bgh h ALA 139 N 1.62 3.30 0.00 2.12 0.00 -2.02 -3.00 119.26 121.28 3bgh h ALA 139 Ca -0.07 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 3bgh h ALA 139 Cb 0.28 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3bgh h ALA 139 CO 0.09 -1.74 -1.56 1.28 0.00 0.00 0.00 179.25 177.32 3bgh n LEU 140 N -4.03 0.57 -4.44 0.00 4.77 -1.26 -5.04 117.00 107.57 3bgh n LEU 140 Ca 0.30 -0.01 -0.31 0.00 -0.03 0.00 0.00 56.01 55.96 3bgh n LEU 140 Cb 1.47 0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 42.52 3bgh n LEU 140 CO 0.40 0.29 -0.49 -0.44 -1.33 0.00 0.00 177.39 175.82 3bgh s SER 141 N -4.19 3.75 0.67 -1.43 0.01 -1.14 -5.12 113.70 106.26 3bgh s SER 141 Ca -0.06 -0.38 -0.14 0.00 1.31 0.00 0.00 55.95 56.68 3bgh s SER 141 Cb 0.03 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.63 3bgh s SER 141 CO 0.31 0.29 1.09 -1.61 0.41 0.00 0.00 173.24 173.73 3bgh s GLU 142 N -1.16 2.83 0.34 12.44 2.02 -1.26 -1.91 118.70 131.99 3bgh s GLU 142 Ca 0.13 1.25 -0.29 0.00 0.02 0.00 0.00 54.97 56.09 3bgh s GLU 142 Cb -0.10 -1.96 -0.12 0.00 0.10 0.00 0.00 34.13 32.05 3bgh s GLU 142 CO 0.03 -1.21 1.50 -1.91 0.02 0.00 0.00 175.26 173.69 3bgh n GLU 143 N -2.63 2.59 -3.97 1.61 2.13 -1.26 -4.49 120.64 114.62 3bgh n GLU 143 Ca 0.09 0.91 -0.09 0.00 0.66 0.00 0.00 57.16 58.73 3bgh n GLU 143 Cb 0.53 -2.64 -0.11 0.00 0.27 0.00 0.00 31.44 29.49 3bgh n GLU 143 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 3bgh s LYS 144 N -1.45 0.39 -0.06 5.31 -2.85 -0.79 -1.57 119.74 118.72 3bgh s LYS 144 Ca 0.58 -0.65 -0.02 0.00 -1.00 0.00 0.00 55.97 54.88 3bgh s LYS 144 Cb -0.50 0.14 -0.04 0.00 -2.06 0.00 0.00 37.83 35.38 3bgh s LYS 144 CO 0.58 -0.07 0.04 0.08 0.10 0.00 0.00 175.35 176.07 3bgh s VAL 145 N -1.78 4.53 0.13 1.79 1.01 0.66 -0.05 120.40 126.70 3bgh s VAL 145 Ca -0.13 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.60 3bgh s VAL 145 Cb -0.07 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3bgh s VAL 145 CO -0.02 0.53 -0.01 0.27 0.00 0.00 0.00 175.10 175.87 3bgh s ILE 146 N -0.99 0.52 0.14 2.22 -4.36 0.26 -0.98 121.20 118.00 3bgh s ILE 146 Ca 0.16 -1.93 0.05 0.00 -0.26 0.00 0.00 60.65 58.66 3bgh s ILE 146 Cb -0.12 -1.91 -0.04 0.00 1.25 0.00 0.00 42.46 41.64 3bgh s ILE 146 CO 0.06 -0.65 0.11 -1.81 0.24 0.00 0.00 174.94 172.89 3bgh s ASP 147 N -3.08 5.48 -0.13 4.36 1.01 0.19 -1.37 116.67 123.12 3bgh s ASP 147 Ca 0.19 -0.11 -0.12 0.00 0.71 0.00 0.00 52.55 53.22 3bgh s ASP 147 Cb 0.06 -1.43 0.04 0.00 1.01 0.00 0.00 42.92 42.60 3bgh s ASP 147 CO -0.01 0.10 0.35 -0.32 0.21 0.00 0.00 175.17 175.51 3bgh s MET 148 N -2.88 0.40 0.53 8.23 1.75 -0.13 -1.16 119.30 126.04 3bgh s MET 148 Ca 0.30 0.51 -0.05 0.00 -1.25 0.00 0.00 55.69 55.20 3bgh s MET 148 Cb -0.11 0.18 -0.01 0.00 2.84 0.00 0.00 34.83 37.73 3bgh s MET 148 CO 0.23 -0.06 0.83 -1.54 -0.65 0.00 0.00 175.02 173.83 3bgh s SER 149 N 0.27 5.90 0.30 1.11 1.04 -0.43 -0.33 113.70 121.57 3bgh s SER 149 Ca -0.01 0.76 0.04 0.00 0.48 0.00 0.00 55.95 57.22 3bgh s SER 149 Cb -0.03 -1.91 -0.03 0.00 0.10 0.00 0.00 66.02 64.15 3bgh s SER 149 CO -0.00 -0.82 0.20 -0.94 0.98 0.00 0.00 173.24 172.66 3bgh s SER 150 N -4.21 1.39 0.00 7.02 1.04 -0.01 -0.85 113.70 118.08 3bgh s SER 150 Ca 0.51 -1.62 0.00 0.00 0.48 0.00 0.00 55.95 55.31 3bgh s SER 150 Cb -0.10 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.49 3bgh s SER 150 CO 0.44 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 174.31 3bgh n GLY 151 N -0.56 0.69 3.65 7.32 0.00 -1.26 -1.31 105.19 113.71 3bgh n GLY 151 Ca 0.04 -2.26 -0.01 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.74 -0.25 -0.09 1.61 5.04 -0.48 -2.81 117.35 119.63 3bgh s TYR 152 Ca 0.00 0.52 0.00 0.00 -2.44 0.00 0.00 57.07 55.15 3bgh s TYR 152 Cb 0.00 0.23 -0.03 0.00 0.35 0.00 0.00 41.96 42.52 3bgh s TYR 152 CO 0.00 -0.12 -0.08 -0.51 -1.34 0.00 0.00 175.55 173.49 3bgh s LEU 153 N 0.89 3.06 -0.20 6.97 1.02 0.18 -2.38 118.68 128.21 3bgh s LEU 153 Ca -0.05 -0.11 0.01 0.00 0.02 0.00 0.00 54.13 54.00 3bgh s LEU 153 Cb -0.03 -1.68 0.03 0.00 0.02 0.00 0.00 46.19 44.53 3bgh s LEU 153 CO -0.12 0.30 -0.17 0.21 0.02 0.00 0.00 176.35 176.59 3bgh s ASN 154 N -0.41 3.54 -0.36 2.29 2.47 0.88 -0.04 114.94 123.30 3bgh s ASN 154 Ca 0.06 -0.82 -0.22 0.00 0.42 0.00 0.00 52.86 52.30 3bgh s ASN 154 Cb -0.12 -1.52 0.01 0.00 -1.45 0.00 0.00 41.25 38.17 3bgh s ASN 154 CO 0.02 -0.05 0.70 -0.22 -3.72 0.00 0.00 177.10 173.83 3bgh s LEU 155 N 1.26 4.21 -0.09 3.21 2.96 0.73 -1.24 118.68 129.71 3bgh s LEU 155 Ca 0.02 0.22 -0.16 0.00 -0.22 0.00 0.00 54.13 53.98 3bgh s LEU 155 Cb -0.15 -2.89 -0.05 0.00 0.50 0.00 0.00 46.19 43.61 3bgh s LEU 155 CO -0.10 -0.66 0.42 0.20 -1.32 0.00 0.00 176.35 174.89 3bgh s ASN 156 N 1.82 6.67 -0.32 3.68 0.01 0.25 -1.09 114.94 125.96 3bgh s ASN 156 Ca 0.27 0.80 -0.11 0.00 -0.71 0.00 0.00 52.86 53.11 3bgh s ASN 156 Cb -0.14 -2.25 -0.02 0.00 0.41 0.00 0.00 41.25 39.24 3bgh s ASN 156 CO 0.16 0.12 0.20 -0.36 -1.51 0.00 0.00 177.10 175.71 3bgh s PHE 157 N 0.07 3.21 -0.07 2.20 0.08 0.79 -2.46 117.98 121.80 3bgh s PHE 157 Ca 0.23 -0.24 0.05 0.00 0.12 0.00 0.00 56.93 57.09 3bgh s PHE 157 Cb -0.15 -2.42 -0.00 0.00 -0.57 0.00 0.00 43.02 39.88 3bgh s PHE 157 CO 0.10 -0.34 -0.23 0.08 -0.10 0.00 0.00 175.22 174.73 3bgh s VAL 158 N 1.70 1.90 -0.28 -0.44 1.01 -0.17 0.04 120.40 124.16 3bgh s VAL 158 Ca 0.06 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 3bgh s VAL 158 Cb -0.17 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.57 3bgh s VAL 158 CO 0.09 0.53 1.35 -0.70 0.00 0.00 0.00 175.10 176.37 3bgh s GLU 159 N 0.15 3.91 0.30 2.72 2.56 -0.25 -0.95 118.70 127.14 3bgh s GLU 159 Ca -0.11 1.32 -0.01 0.00 0.00 0.00 0.00 54.97 56.18 3bgh s GLU 159 Cb -0.15 -3.90 0.48 0.00 2.00 0.00 0.00 34.13 32.56 3bgh s GLU 159 CO 0.06 -1.13 1.93 -1.35 -0.56 0.00 0.00 175.26 174.21 3bgh h PRO 160 N 9.46 1.05 0.03 4.30 0.11 -1.87 0.13 132.00 145.21 3bgh h PRO 160 Ca -0.27 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.77 3bgh h PRO 160 Cb 1.11 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3bgh h PRO 160 CO 1.03 0.69 -0.01 0.87 -0.21 0.00 0.00 178.00 180.37 3bgh h LYS 161 N 1.08 -0.04 0.00 1.05 1.57 -1.93 -3.33 116.57 114.98 3bgh h LYS 161 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 3bgh h LYS 161 Cb 0.06 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3bgh h LYS 161 CO -0.11 0.66 0.00 0.66 -0.57 0.00 0.00 179.45 180.09 3bgh h SER 162 N -0.89 0.00 -0.23 0.86 4.64 -1.97 -3.47 113.55 112.49 3bgh h SER 162 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 3bgh h SER 162 Cb 0.72 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.77 3bgh h SER 162 CO 0.01 0.00 -0.09 -0.62 -0.87 0.00 0.00 176.83 175.26 3bgh n GLU 163 N -2.67 -1.18 -2.26 4.77 1.02 0.45 -4.99 120.64 115.78 3bgh n GLU 163 Ca 0.04 0.56 -0.41 0.00 -0.02 0.00 0.00 57.16 57.33 3bgh n GLU 163 Cb 0.45 -4.57 -0.03 0.00 -0.02 0.00 0.00 31.44 27.27 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 -2.30 6.94 -0.09 1.62 1.11 -1.21 -4.78 116.67 117.97 3bgh s ASP 164 Ca 0.00 2.35 -0.29 0.00 0.18 0.00 0.00 52.55 54.78 3bgh s ASP 164 Cb 0.00 -2.61 -0.02 0.00 1.07 0.00 0.00 42.92 41.37 3bgh s ASP 164 CO 0.00 -0.50 0.98 -0.63 1.18 0.00 0.00 175.17 176.20 3bgh s ILE 165 N 0.16 4.81 -0.19 0.77 1.01 -1.26 -1.09 121.20 125.41 3bgh s ILE 165 Ca 0.56 2.00 0.15 0.00 0.00 0.00 0.00 60.65 63.37 3bgh s ILE 165 Cb -0.35 -4.30 -0.22 0.00 0.01 0.00 0.00 42.46 37.60 3bgh s ILE 165 CO 0.37 0.04 0.04 -0.38 0.00 0.00 0.00 174.94 175.01 3bgh n ILE 166 N 4.41 1.30 -3.62 2.92 -0.00 0.11 -4.96 119.36 119.51 3bgh n ILE 166 Ca 0.08 -0.77 -0.15 0.00 -0.00 0.00 0.00 62.75 61.91 3bgh n ILE 166 Cb 0.49 -0.58 -0.07 0.00 -0.00 0.00 0.00 39.64 39.48 3bgh n ILE 166 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 3bgh s HIS 167 N -2.46 -0.71 -0.08 1.39 2.46 -1.15 -5.00 115.29 109.74 3bgh s HIS 167 Ca -0.11 1.65 0.04 0.00 0.47 0.00 0.00 55.06 57.10 3bgh s HIS 167 Cb 0.06 0.28 0.00 0.00 -0.13 0.00 0.00 32.58 32.79 3bgh s HIS 167 CO 0.75 -0.41 -0.20 -1.12 -2.47 0.00 0.00 174.74 171.29 3bgh s SER 168 N 0.02 2.62 -0.10 9.88 0.01 -1.26 -0.15 113.70 124.72 3bgh s SER 168 Ca -0.02 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 56.80 3bgh s SER 168 Cb -0.04 -1.10 0.01 0.00 0.21 0.00 0.00 66.02 65.11 3bgh s SER 168 CO 0.03 0.13 -0.16 0.12 0.41 0.00 0.00 173.24 173.77 3bgh s PHE 169 N 0.34 2.00 0.01 2.43 2.19 -0.25 -4.99 117.98 119.73 3bgh s PHE 169 Ca -0.15 -0.92 0.02 0.00 0.33 0.00 0.00 56.93 56.21 3bgh s PHE 169 Cb -0.16 -1.43 -0.04 0.00 -1.31 0.00 0.00 43.02 40.08 3bgh s PHE 169 CO 0.06 -0.46 0.02 0.20 1.83 0.00 0.00 175.22 176.88 3bgh s GLY 170 N 0.89 1.92 -0.16 13.12 0.00 -1.26 -0.20 107.32 121.64 3bgh s GLY 170 Ca -0.08 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.68 3bgh s GLY 170 CO -0.00 -0.85 -0.11 -0.42 0.00 0.00 0.00 173.10 171.72 3bgh s ILE 171 N -1.16 1.51 -0.03 0.90 1.09 0.94 -4.99 121.20 119.46 3bgh s ILE 171 Ca 0.22 -0.73 -0.30 0.00 -1.10 0.00 0.00 60.65 58.74 3bgh s ILE 171 Cb -0.12 -1.50 -0.03 0.00 -1.06 0.00 0.00 42.46 39.75 3bgh s ILE 171 CO 0.13 0.32 1.11 -0.62 -0.10 0.00 0.00 174.94 175.78 3bgh s ASP 172 N 1.49 7.17 -0.13 3.58 -1.08 -1.26 0.48 116.67 126.91 3bgh s ASP 172 Ca 0.03 1.77 0.18 0.00 -0.52 0.00 0.00 52.55 54.00 3bgh s ASP 172 Cb -0.14 -2.57 0.31 0.00 -1.46 0.00 0.00 42.92 39.06 3bgh s ASP 172 CO -0.09 -0.46 1.17 1.33 0.52 0.00 0.00 175.17 177.64 3bgh n VAL 173 N 4.29 1.90 -2.23 1.11 0.24 -1.12 -4.96 118.33 117.55 3bgh n VAL 173 Ca 0.09 -2.17 -0.26 0.00 -2.04 0.00 0.00 64.34 59.96 3bgh n VAL 173 Cb 0.48 -0.21 0.08 0.00 -1.47 0.00 0.00 33.84 32.72 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 -2.70 4.68 -0.67 -1.34 1.04 -1.21 -4.36 113.70 109.15 3bgh s SER 174 Ca 0.32 0.36 0.00 0.00 0.48 0.00 0.00 55.95 57.11 3bgh s SER 174 Cb 0.28 -0.96 0.00 0.00 0.10 0.00 0.00 66.02 65.43 3bgh s SER 174 CO 0.04 -1.68 0.00 0.29 0.98 0.00 0.00 173.24 172.87 3bgh n LYS 175 N -2.95 -1.40 -2.49 4.02 4.76 -0.03 -4.91 118.16 115.16 3bgh n LYS 175 Ca 0.09 0.65 -0.43 0.00 -2.87 0.00 0.00 58.31 55.76 3bgh n LYS 175 Cb 0.60 -4.84 -0.02 0.00 -1.84 0.00 0.00 35.03 28.93 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 -1.75 4.36 0.05 -0.18 1.01 -1.26 -4.85 121.20 118.58 3bgh s ILE 176 Ca 0.00 1.66 0.08 0.00 0.00 0.00 0.00 60.65 62.39 3bgh s ILE 176 Cb 0.00 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 3bgh s ILE 176 CO 0.00 -0.06 -0.21 -0.54 0.00 0.00 0.00 174.94 174.13 3bgh s LYS 177 N 2.70 1.97 -0.06 2.79 1.02 -1.26 -1.31 119.74 125.58 3bgh s LYS 177 Ca 0.54 -1.03 0.02 0.00 0.02 0.00 0.00 55.97 55.51 3bgh s LYS 177 Cb -0.22 -2.12 0.02 0.00 -0.52 0.00 0.00 37.83 34.98 3bgh s LYS 177 CO 0.18 0.53 -0.10 0.00 -0.92 0.00 0.00 175.35 175.03 3bgh s ALA 178 N -0.90 1.13 0.00 5.17 0.00 -0.31 -4.90 121.76 121.95 3bgh s ALA 178 Ca 0.14 -0.34 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 3bgh s ALA 178 Cb -0.10 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 3bgh s ALA 178 CO 0.04 0.04 1.13 0.08 0.00 0.00 0.00 175.76 177.06 3bgh s VAL 179 N 0.80 4.35 -0.11 0.00 1.01 -1.26 -0.64 120.40 124.55 3bgh s VAL 179 Ca -0.12 1.68 0.13 0.00 0.00 0.00 0.00 61.98 63.66 3bgh s VAL 179 Cb -0.15 -4.08 -0.18 0.00 0.00 0.00 0.00 36.38 31.97 3bgh s VAL 179 CO 0.02 0.09 0.11 2.30 0.00 0.00 0.00 175.10 177.61 3bgh n ILE 180 N 4.15 0.75 -3.74 2.22 -5.35 -0.16 -4.40 119.36 112.83 3bgh n ILE 180 Ca 0.09 -0.54 -0.13 0.00 -0.27 0.00 0.00 62.75 61.90 3bgh n ILE 180 Cb 0.48 -0.46 -0.13 0.00 -1.74 0.00 0.00 39.64 37.78 3bgh n ILE 180 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3bgh s GLU 181 N -2.49 0.19 0.03 6.28 2.12 -1.00 -1.63 118.70 122.20 3bgh s GLU 181 Ca -0.07 0.46 0.06 0.00 0.36 0.00 0.00 54.97 55.79 3bgh s GLU 181 Cb 0.05 -0.10 -0.03 0.00 0.26 0.00 0.00 34.13 34.31 3bgh s GLU 181 CO 0.58 -0.15 -0.14 1.03 -0.54 0.00 0.00 175.26 176.05 3bgh s ARG 182 N 1.09 2.24 -1.14 4.30 0.52 -1.26 -0.24 118.95 124.46 3bgh s ARG 182 Ca -0.08 -0.89 -0.03 0.00 -0.52 0.00 0.00 55.73 54.21 3bgh s ARG 182 Cb -0.09 -2.30 0.25 0.00 0.52 0.00 0.00 34.95 33.32 3bgh s ARG 182 CO -0.07 0.56 1.95 0.28 0.02 0.00 0.00 175.30 178.04 3bgh n VAL 183 N 1.53 5.65 -3.09 3.52 0.31 -0.61 -4.84 118.33 120.80 3bgh n VAL 183 Ca -0.16 -5.39 -0.19 0.00 -0.01 0.00 0.00 64.34 58.59 3bgh n VAL 183 Cb 0.52 -1.83 -0.04 0.00 -0.91 0.00 0.00 33.84 31.58 3bgh n VAL 183 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3bgh n LYS 203 N 0.91 0.58 0.00 5.55 4.81 -1.26 -4.52 118.16 124.23 3bgh n LYS 203 Ca 0.48 -2.75 0.00 0.00 -0.87 0.00 0.00 58.31 55.17 3bgh n LYS 203 Cb 0.27 -1.40 0.00 0.00 0.02 0.00 0.00 35.03 33.92 3bgh n LYS 203 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3bgh n GLU 204 N 1.97 0.00 0.00 1.64 1.02 -0.81 -4.88 120.64 119.57 3bgh n GLU 204 Ca 0.20 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 3bgh n GLU 204 Cb 0.54 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 3bgh n GLU 204 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3bgh n THR 205 N -1.00 0.00 -4.58 2.62 -2.24 -0.65 -5.00 114.28 103.43 3bgh n THR 205 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 3bgh n THR 205 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 3bgh n THR 205 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3bgh s ASP 206 N 1.00 3.15 0.12 3.42 3.84 -1.26 -4.87 116.67 122.07 3bgh s ASP 206 Ca 0.00 -1.71 -0.24 0.00 -0.00 0.00 0.00 52.55 50.60 3bgh s ASP 206 Cb 0.00 0.58 -0.05 0.00 -1.38 0.00 0.00 42.92 42.07 3bgh s ASP 206 CO 0.00 -0.96 1.66 0.45 -0.00 0.00 0.00 175.17 176.32 3bgh h HIS 207 N 1.65 -0.50 -0.38 2.11 3.86 -1.99 -2.83 115.15 117.07 3bgh h HIS 207 Ca -0.36 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 58.83 3bgh h HIS 207 Cb 1.29 0.23 -0.02 0.00 1.06 0.00 0.00 27.41 29.96 3bgh h HIS 207 CO 1.63 -0.27 0.09 -0.44 0.86 0.00 0.00 177.93 179.80 3bgh h ASP 208 N -0.30 0.50 -0.38 2.45 3.32 -1.98 0.11 116.42 120.15 3bgh h ASP 208 Ca 0.06 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 3bgh h ASP 208 Cb 0.38 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3bgh h ASP 208 CO -0.20 0.51 0.05 -0.61 -1.72 0.00 0.00 179.24 177.27 3bgh h GLN 209 N 0.54 0.72 -0.20 3.56 5.75 -1.94 -2.22 115.11 121.32 3bgh h GLN 209 Ca 0.13 -0.16 -0.20 0.00 -0.15 0.00 0.00 58.65 58.27 3bgh h GLN 209 Cb 0.21 -0.10 0.01 0.00 1.07 0.00 0.00 27.48 28.66 3bgh h GLN 209 CO -0.00 0.70 -0.65 0.00 -2.65 0.00 0.00 178.83 176.23 3bgh h ALA 210 N 1.37 0.35 -0.30 3.38 0.00 -0.60 -2.59 119.26 120.87 3bgh h ALA 210 Ca 0.15 -0.55 0.05 0.00 0.00 0.00 0.00 54.91 54.55 3bgh h ALA 210 Cb 0.35 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3bgh h ALA 210 CO 0.01 0.64 0.02 0.82 0.00 0.00 0.00 179.25 180.74 3bgh h ILE 211 N 0.54 0.81 -0.66 0.00 2.04 -1.06 -0.14 117.51 119.04 3bgh h ILE 211 Ca -0.02 -0.04 0.10 0.00 1.00 0.00 0.00 64.86 65.89 3bgh h ILE 211 Cb 1.27 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.96 3bgh h ILE 211 CO 0.14 0.02 0.29 0.03 0.00 0.00 0.00 178.15 178.63 3bgh h ARG 212 N 0.12 0.48 -0.25 2.37 3.08 -1.33 -0.37 114.38 118.48 3bgh h ARG 212 Ca 0.14 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3bgh h ARG 212 Cb 0.18 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 3bgh h ARG 212 CO -0.22 0.32 -0.07 0.87 -1.07 0.00 0.00 179.97 179.80 3bgh h LYS 213 N 0.49 0.48 -0.28 0.04 1.57 -1.04 -1.68 116.57 116.16 3bgh h LYS 213 Ca 0.33 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 3bgh h LYS 213 Cb 0.40 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3bgh h LYS 213 CO -0.30 0.71 0.10 0.82 -0.57 0.00 0.00 179.45 180.22 3bgh h ILE 214 N 0.22 1.18 -0.58 1.86 2.04 -0.85 -1.84 117.51 119.55 3bgh h ILE 214 Ca 0.06 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 3bgh h ILE 214 Cb 0.54 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 3bgh h ILE 214 CO 0.03 0.19 0.27 0.24 0.00 0.00 0.00 178.15 178.88 3bgh h MET 215 N 0.30 0.84 -0.70 2.37 2.86 -1.09 0.71 114.93 120.21 3bgh h MET 215 Ca 0.09 -0.13 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 3bgh h MET 215 Cb 0.20 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.67 3bgh h MET 215 CO -0.01 0.69 0.43 -0.91 1.06 0.00 0.00 176.91 178.18 3bgh h ASN 216 N 0.79 0.69 -0.14 1.22 2.35 -1.17 0.21 115.58 119.53 3bgh h ASN 216 Ca 0.20 0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.86 3bgh h ASN 216 Cb 0.14 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3bgh h ASN 216 CO -0.02 0.47 -0.23 1.56 -1.65 0.00 0.00 177.43 177.56 3bgh h GLN 217 N 0.83 0.58 -0.28 0.81 4.20 -0.91 -1.39 115.11 118.95 3bgh h GLN 217 Ca 0.29 -0.22 -0.15 0.00 0.06 0.00 0.00 58.65 58.64 3bgh h GLN 217 Cb 0.07 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3bgh h GLN 217 CO -0.13 0.76 -0.43 0.00 -0.67 0.00 0.00 178.83 178.37 3bgh h ALA 218 N 1.24 0.73 -0.11 3.87 0.00 -0.27 -2.05 119.26 122.67 3bgh h ALA 218 Ca 0.08 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3bgh h ALA 218 Cb 0.67 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3bgh h ALA 218 CO 0.05 0.66 0.02 -0.92 0.00 0.00 0.00 179.25 179.06 3bgh h TYR 219 N 0.56 0.19 0.09 0.00 3.20 -0.31 -1.15 116.97 119.55 3bgh h TYR 219 Ca 0.04 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.91 3bgh h TYR 219 Cb 0.97 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 39.14 3bgh h TYR 219 CO 0.05 0.38 -0.36 1.25 -1.64 0.00 0.00 178.16 177.84 3bgh h HIS 220 N -0.06 -0.99 -0.84 -3.82 2.76 -1.26 -2.13 115.15 108.81 3bgh h HIS 220 Ca 0.03 0.03 0.13 0.00 -2.20 0.00 0.00 60.37 58.36 3bgh h HIS 220 Cb 0.29 0.42 -0.09 0.00 1.55 0.00 0.00 27.41 29.59 3bgh h HIS 220 CO 0.02 -0.46 0.45 -0.22 -1.30 0.00 0.00 177.93 176.42 3bgh h LYS 221 N -0.57 0.66 0.10 5.26 3.64 -1.31 -1.77 116.57 122.58 3bgh h LYS 221 Ca 0.04 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3bgh h LYS 221 Cb 0.61 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3bgh h LYS 221 CO -0.23 0.44 -0.05 0.28 -2.27 0.00 0.00 179.45 177.62 3bgh h VAL 222 N 0.68 0.97 -0.86 2.00 2.07 -0.85 -2.09 116.25 118.17 3bgh h VAL 222 Ca 0.44 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.69 3bgh h VAL 222 Cb 0.55 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3bgh h VAL 222 CO -0.32 0.07 0.55 0.24 0.02 0.00 0.00 177.57 178.12 3bgh h MET 223 N -0.26 1.14 -0.44 1.57 2.86 -1.12 -0.45 114.93 118.23 3bgh h MET 223 Ca -0.01 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 3bgh h MET 223 Cb 0.22 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 3bgh h MET 223 CO 0.02 0.78 0.14 0.28 1.06 0.00 0.00 176.91 179.19 3bgh h VAL 224 N 1.17 1.22 -0.18 -2.22 2.07 -1.29 -0.22 116.25 116.79 3bgh h VAL 224 Ca 0.31 -0.72 -0.13 0.00 0.82 0.00 0.00 66.70 66.98 3bgh h VAL 224 Cb -0.10 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3bgh h VAL 224 CO -0.06 0.26 -0.41 0.45 0.02 0.00 0.00 177.57 177.82 3bgh h HIS 225 N 0.56 0.77 -0.45 1.57 -0.00 -1.09 -2.15 115.15 114.37 3bgh h HIS 225 Ca 0.14 -0.29 -0.10 0.00 -0.00 0.00 0.00 60.37 60.12 3bgh h HIS 225 Cb 0.25 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 3bgh h HIS 225 CO 0.01 1.04 -0.13 0.82 -0.00 0.00 0.00 177.93 179.68 3bgh h ILE 226 N 0.27 1.27 -0.68 2.45 2.04 -1.07 -0.57 117.51 121.23 3bgh h ILE 226 Ca 0.00 -1.25 -0.04 0.00 1.00 0.00 0.00 64.86 64.57 3bgh h ILE 226 Cb 1.02 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 3bgh h ILE 226 CO 0.09 0.43 0.25 0.71 0.00 0.00 0.00 178.15 179.62 3bgh h THR 227 N 0.71 1.24 0.00 -0.27 1.35 -1.04 -0.59 112.91 114.30 3bgh h THR 227 Ca 0.11 -0.78 -0.12 0.00 -0.55 0.00 0.00 66.41 65.06 3bgh h THR 227 Cb 0.67 0.46 -0.02 0.00 -1.73 0.00 0.00 68.15 67.53 3bgh h THR 227 CO 0.05 0.31 -0.57 0.11 -0.25 0.00 0.00 175.52 175.16 3bgh h LYS 228 N 0.99 0.00 -0.00 4.72 1.57 -1.26 -3.13 116.57 119.46 3bgh h LYS 228 Ca 0.23 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.87 3bgh h LYS 228 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3bgh h LYS 228 CO -0.02 0.57 -0.63 1.49 -0.57 0.00 0.00 179.45 180.30 3bgh h GLU 229 N 0.00 0.01 -1.39 3.15 4.57 -0.09 -3.26 114.58 117.58 3bgh h GLU 229 Ca -0.01 -0.01 -0.69 0.00 -1.18 0.00 0.00 59.36 57.47 3bgh h GLU 229 Cb 1.04 0.00 -0.27 0.00 -0.16 0.00 0.00 28.75 29.36 3bgh h GLU 229 CO 0.07 0.64 0.91 1.28 -1.18 0.00 0.00 179.01 180.73 3bgh n LEU 230 N -3.80 7.57 -4.69 1.64 4.77 -0.33 -4.81 117.00 117.35 3bgh n LEU 230 Ca -0.01 -4.42 -0.30 0.00 -0.03 0.00 0.00 56.01 51.25 3bgh n LEU 230 Cb 0.62 -1.02 0.15 0.00 -2.33 0.00 0.00 43.42 40.84 3bgh n LEU 230 CO 0.42 1.56 0.65 -0.94 -1.33 0.00 0.00 177.39 177.76 3bgh s SER 231 N -1.43 3.15 0.12 -1.43 1.04 -1.23 -4.79 113.70 109.13 3bgh s SER 231 Ca 0.59 1.48 -0.21 0.00 0.48 0.00 0.00 55.95 58.29 3bgh s SER 231 Cb 0.47 -2.16 -0.07 0.00 0.10 0.00 0.00 66.02 64.37 3bgh s SER 231 CO -0.15 -2.84 1.72 0.50 0.98 0.00 0.00 173.24 173.45 3bgh h LYS 232 N -1.69 0.04 -0.70 4.02 3.64 -1.94 -0.05 116.57 119.89 3bgh h LYS 232 Ca -0.51 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 58.94 3bgh h LYS 232 Cb 1.29 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.04 3bgh h LYS 232 CO 0.54 0.02 0.38 -0.22 -2.27 0.00 0.00 179.45 177.90 3bgh h LYS 233 N 0.04 0.66 -0.18 1.90 3.64 -1.98 -1.90 116.57 118.75 3bgh h LYS 233 Ca 0.07 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 3bgh h LYS 233 Cb 0.08 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3bgh h LYS 233 CO -0.12 0.43 -0.08 0.45 -2.27 0.00 0.00 179.45 177.86 3bgh h HIS 234 N 0.68 0.42 -0.66 1.91 3.86 -1.79 -1.82 115.15 117.75 3bgh h HIS 234 Ca 0.33 -0.10 -0.06 0.00 -1.16 0.00 0.00 60.37 59.38 3bgh h HIS 234 Cb 0.26 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 3bgh h HIS 234 CO -0.08 0.67 0.19 0.52 0.86 0.00 0.00 177.93 180.09 3bgh h MET 235 N 0.05 1.03 -0.68 2.45 2.86 -0.82 0.63 114.93 120.44 3bgh h MET 235 Ca 0.04 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.40 3bgh h MET 235 Cb 0.56 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 3bgh h MET 235 CO 0.03 0.90 0.23 0.93 1.06 0.00 0.00 176.91 180.05 3bgh h GLU 236 N 0.96 1.06 -0.01 1.72 5.08 -1.39 0.47 114.58 122.46 3bgh h GLU 236 Ca 0.21 -0.22 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3bgh h GLU 236 Cb 0.31 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3bgh h GLU 236 CO -0.00 0.91 0.01 1.25 -1.00 0.00 0.00 179.01 180.17 3bgh h HIS 237 N 1.00 0.02 -0.72 4.33 2.76 -1.00 -0.52 115.15 121.02 3bgh h HIS 237 Ca 0.22 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.48 3bgh h HIS 237 Cb 0.28 -0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.17 3bgh h HIS 237 CO 0.02 0.06 0.37 -0.92 -1.30 0.00 0.00 177.93 176.17 3bgh h TYR 238 N -0.03 0.67 -0.03 5.26 3.20 -0.34 0.11 116.97 125.80 3bgh h TYR 238 Ca 0.01 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.93 3bgh h TYR 238 Cb 0.05 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 3bgh h TYR 238 CO -0.06 0.26 -0.09 0.93 -1.64 0.00 0.00 178.16 177.55 3bgh h GLU 239 N 0.64 -0.14 -0.63 1.82 5.08 0.26 -1.63 114.58 119.98 3bgh h GLU 239 Ca 0.35 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.78 3bgh h GLU 239 Cb 0.34 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.57 3bgh h GLU 239 CO -0.25 -0.09 0.34 -0.22 -1.00 0.00 0.00 179.01 177.78 3bgh h LYS 240 N -0.15 0.61 -0.31 2.33 1.63 -0.51 -2.05 116.57 118.12 3bgh h LYS 240 Ca 0.05 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 3bgh h LYS 240 Cb 0.21 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 3bgh h LYS 240 CO -0.12 0.40 0.17 0.28 -3.45 0.00 0.00 179.45 176.73 3bgh h VAL 241 N 0.63 1.14 -0.40 2.00 2.07 -0.33 -2.58 116.25 118.78 3bgh h VAL 241 Ca 0.29 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.45 3bgh h VAL 241 Cb 0.19 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3bgh h VAL 241 CO -0.19 0.14 0.25 0.77 0.02 0.00 0.00 177.57 178.57 3bgh h SER 242 N 0.38 0.43 -0.99 0.57 4.64 -1.22 -2.45 113.55 114.91 3bgh h SER 242 Ca 0.11 -0.00 0.28 0.00 -0.47 0.00 0.00 61.79 61.70 3bgh h SER 242 Cb 0.08 -0.10 -0.18 0.00 -0.31 0.00 0.00 62.40 61.88 3bgh h SER 242 CO -0.02 0.31 0.04 -1.20 -0.87 0.00 0.00 176.83 175.09 3bgh n SER 243 N -4.83 -0.10 0.05 4.97 7.64 -0.78 -2.06 113.62 118.51 3bgh n SER 243 Ca 0.01 1.67 -0.03 0.00 1.01 0.00 0.00 58.87 61.53 3bgh n SER 243 Cb 0.04 -0.62 -0.02 0.00 -1.01 0.00 0.00 64.21 62.61 3bgh n SER 243 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3bgh h GLU 244 N 0.00 -0.21 0.00 1.43 5.08 -1.41 -3.52 114.58 115.95 3bgh h GLU 244 Ca 0.61 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.98 3bgh h GLU 244 Cb 1.27 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3bgh h GLU 244 CO -0.92 -0.14 0.00 -1.33 -1.00 0.00 0.00 179.01 175.62