#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bl3 h PRO 58 N 0.00 0.00 -0.37 -1.46 0.13 -1.97 -1.86 132.00 126.46 1bl3 h PRO 58 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1bl3 h PRO 58 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1bl3 h PRO 58 CO 0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 1bl3 n GLY 59 N -1.26 1.70 3.73 1.56 0.00 -1.26 -4.91 105.19 104.74 1bl3 n GLY 59 Ca -0.01 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 1bl3 n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bl3 s ILE 60 N -1.44 5.35 0.16 -0.61 1.01 -0.70 -0.69 121.20 124.26 1bl3 s ILE 60 Ca 0.37 0.40 0.05 0.00 0.00 0.00 0.00 60.65 61.48 1bl3 s ILE 60 Cb 0.22 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1bl3 s ILE 60 CO 0.30 0.41 -0.12 0.26 0.00 0.00 0.00 174.94 175.80 1bl3 s TRP 61 N 0.41 1.37 -0.06 3.97 0.52 -0.33 -2.72 118.94 122.10 1bl3 s TRP 61 Ca 0.13 -0.69 0.03 0.00 0.02 0.00 0.00 56.10 55.59 1bl3 s TRP 61 Cb -0.12 -0.68 0.01 0.00 -1.15 0.00 0.00 33.47 31.52 1bl3 s TRP 61 CO 0.02 0.15 -0.14 -0.65 0.02 0.00 0.00 176.95 176.35 1bl3 s GLN 62 N -3.59 1.74 0.23 4.98 -0.21 -0.48 -1.43 119.66 120.90 1bl3 s GLN 62 Ca 0.17 -0.48 0.11 0.00 0.02 0.00 0.00 55.36 55.17 1bl3 s GLN 62 Cb 0.01 -1.45 -0.04 0.00 1.00 0.00 0.00 33.01 32.52 1bl3 s GLN 62 CO 0.02 0.10 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.63 1bl3 s LEU 63 N 0.45 2.77 -0.13 2.90 2.01 -0.61 -0.77 118.68 125.29 1bl3 s LEU 63 Ca -0.11 -0.79 -0.32 0.00 0.01 0.00 0.00 54.13 52.91 1bl3 s LEU 63 Cb -0.14 -1.39 0.13 0.00 0.01 0.00 0.00 46.19 44.80 1bl3 s LEU 63 CO 0.03 0.07 1.09 -0.62 1.01 0.00 0.00 176.35 177.93 1bl3 s ASP 64 N -3.13 -0.23 -0.07 2.29 2.15 -0.46 -4.51 116.67 112.71 1bl3 s ASP 64 Ca 0.26 0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.27 1bl3 s ASP 64 Cb -0.07 0.24 -0.03 0.00 -0.30 0.00 0.00 42.92 42.75 1bl3 s ASP 64 CO 0.15 -0.37 -0.04 0.00 -0.17 0.00 0.00 175.17 174.74 1bl3 s THR 66 N -0.86 0.82 0.04 0.00 -1.32 -0.02 -4.96 115.64 109.34 1bl3 s THR 66 Ca 0.13 -1.80 0.09 0.00 -1.21 0.00 0.00 61.69 58.90 1bl3 s THR 66 Cb -0.11 -1.53 -0.03 0.00 -1.51 0.00 0.00 72.50 69.33 1bl3 s THR 66 CO 0.02 -0.73 -0.25 -1.00 -2.21 0.00 0.00 174.62 170.46 1bl3 s HIS 67 N -3.06 2.22 -0.18 9.09 3.76 -1.26 0.52 115.29 126.37 1bl3 s HIS 67 Ca 0.09 -0.41 -0.23 0.00 -0.15 0.00 0.00 55.06 54.36 1bl3 s HIS 67 Cb 0.01 -1.34 0.06 0.00 1.11 0.00 0.00 32.58 32.43 1bl3 s HIS 67 CO -0.02 0.11 0.62 -1.17 -0.85 0.00 0.00 174.74 173.42 1bl3 s LEU 68 N -1.18 -0.37 -1.64 0.89 2.96 -0.75 -4.93 118.68 113.66 1bl3 s LEU 68 Ca 0.11 1.08 -0.16 0.00 -0.22 0.00 0.00 54.13 54.94 1bl3 s LEU 68 Cb -0.10 2.17 0.13 0.00 0.50 0.00 0.00 46.19 48.90 1bl3 s LEU 68 CO 0.02 -0.31 0.83 -0.62 -1.32 0.00 0.00 176.35 174.95 1bl3 n GLU 69 N 2.29 -3.85 -1.47 1.98 1.02 -1.26 0.16 120.64 119.51 1bl3 n GLU 69 Ca -0.15 0.44 -0.16 0.00 -0.02 0.00 0.00 57.16 57.26 1bl3 n GLU 69 Cb 0.56 -5.18 -0.07 0.00 -0.02 0.00 0.00 31.44 26.73 1bl3 n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bl3 n GLY 70 N -1.51 1.60 3.57 0.62 0.00 -1.26 -4.97 105.19 103.23 1bl3 n GLY 70 Ca 0.05 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1bl3 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bl3 s LYS 71 N -3.35 1.86 -0.13 1.61 1.02 0.12 -5.14 119.74 115.74 1bl3 s LYS 71 Ca 0.00 -2.00 -0.01 0.00 0.02 0.00 0.00 55.97 53.98 1bl3 s LYS 71 Cb 0.00 -1.68 -0.02 0.00 -0.52 0.00 0.00 37.83 35.61 1bl3 s LYS 71 CO 0.00 0.08 -0.09 0.08 -0.92 0.00 0.00 175.35 174.50 1bl3 s VAL 72 N -2.65 3.46 -0.18 3.17 1.01 -1.26 -1.82 120.40 122.14 1bl3 s VAL 72 Ca 0.33 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.79 1bl3 s VAL 72 Cb 0.05 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.97 1bl3 s VAL 72 CO 0.17 0.53 -0.15 -0.63 0.00 0.00 0.00 175.10 175.01 1bl3 s ILE 73 N 0.14 2.53 -0.16 2.22 1.01 0.18 -0.88 121.20 126.24 1bl3 s ILE 73 Ca -0.04 -0.80 -0.22 0.00 0.00 0.00 0.00 60.65 59.60 1bl3 s ILE 73 Cb -0.14 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 1bl3 s ILE 73 CO 0.04 0.51 0.65 -0.22 0.00 0.00 0.00 174.94 175.92 1bl3 s LEU 74 N 1.12 4.20 -0.06 2.97 2.96 0.26 -0.84 118.68 129.28 1bl3 s LEU 74 Ca 0.01 0.94 0.04 0.00 -0.22 0.00 0.00 54.13 54.90 1bl3 s LEU 74 Cb -0.14 -2.95 -0.02 0.00 0.50 0.00 0.00 46.19 43.58 1bl3 s LEU 74 CO -0.06 -0.22 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.86 1bl3 s VAL 75 N 1.56 2.55 -0.07 1.68 1.01 0.42 -1.43 120.40 126.12 1bl3 s VAL 75 Ca 0.31 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1bl3 s VAL 75 Cb -0.16 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.25 1bl3 s VAL 75 CO 0.12 0.57 -0.20 0.00 0.00 0.00 0.00 175.10 175.60 1bl3 s ALA 76 N -0.32 1.80 -0.08 5.51 0.00 0.27 -1.36 121.76 127.58 1bl3 s ALA 76 Ca 0.02 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1bl3 s ALA 76 Cb -0.13 -0.67 0.01 0.00 0.00 0.00 0.00 23.12 22.34 1bl3 s ALA 76 CO 0.02 0.26 -0.13 0.08 0.00 0.00 0.00 175.76 175.99 1bl3 s VAL 77 N 0.29 1.27 -0.50 0.00 1.01 0.05 -1.06 120.40 121.45 1bl3 s VAL 77 Ca -0.13 -0.53 -0.28 0.00 0.00 0.00 0.00 61.98 61.04 1bl3 s VAL 77 Cb -0.16 -1.16 0.03 0.00 0.00 0.00 0.00 36.38 35.09 1bl3 s VAL 77 CO 0.06 0.39 1.12 -2.28 0.00 0.00 0.00 175.10 174.39 1bl3 s HIS 78 N 0.82 2.78 0.23 5.22 2.46 -0.17 -1.39 115.29 125.24 1bl3 s HIS 78 Ca -0.11 0.58 -0.06 0.00 0.47 0.00 0.00 55.06 55.94 1bl3 s HIS 78 Cb -0.15 -4.40 0.38 0.00 -0.13 0.00 0.00 32.58 28.28 1bl3 s HIS 78 CO 0.02 -1.33 1.74 0.28 -2.47 0.00 0.00 174.74 172.98 1bl3 h VAL 79 N 6.20 0.73 -0.76 0.89 2.07 -1.83 0.29 116.25 123.83 1bl3 h VAL 79 Ca -0.24 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 1bl3 h VAL 79 Cb 1.06 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1bl3 h VAL 79 CO 1.13 0.08 0.33 0.00 0.02 0.00 0.00 177.57 179.13 1bl3 h ALA 80 N 1.49 1.15 0.00 1.67 0.00 -1.82 -3.33 119.26 118.41 1bl3 h ALA 80 Ca 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1bl3 h ALA 80 Cb 0.50 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1bl3 h ALA 80 CO -0.35 0.62 -1.05 -1.13 0.00 0.00 0.00 179.25 177.35 1bl3 n SER 81 N -4.30 1.79 0.00 0.00 3.41 -1.10 -4.99 113.62 108.43 1bl3 n SER 81 Ca 0.07 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 1bl3 n SER 81 Cb 0.16 1.27 0.00 0.00 -0.26 0.00 0.00 64.21 65.38 1bl3 n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bl3 n GLY 82 N 1.64 0.73 3.75 5.00 0.00 0.10 -4.69 105.19 111.73 1bl3 n GLY 82 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1bl3 n GLY 82 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1bl3 s TYR 83 N -2.64 2.38 0.11 1.61 5.04 -1.23 -4.77 117.35 117.85 1bl3 s TYR 83 Ca 0.00 1.43 0.06 0.00 -2.44 0.00 0.00 57.07 56.12 1bl3 s TYR 83 Cb 0.00 -3.68 -0.04 0.00 0.35 0.00 0.00 41.96 38.59 1bl3 s TYR 83 CO 0.00 -2.59 -0.15 0.42 -1.34 0.00 0.00 175.55 171.89 1bl3 s ILE 84 N -1.38 1.36 -0.07 3.14 1.01 -1.26 -1.00 121.20 122.99 1bl3 s ILE 84 Ca 0.72 -1.60 -0.03 0.00 0.00 0.00 0.00 60.65 59.74 1bl3 s ILE 84 Cb -0.37 -1.44 0.04 0.00 0.01 0.00 0.00 42.46 40.70 1bl3 s ILE 84 CO 0.43 -0.31 0.15 -1.61 0.00 0.00 0.00 174.94 173.60 1bl3 s GLU 85 N -2.33 0.06 0.08 2.79 2.02 -0.22 -4.95 118.70 116.14 1bl3 s GLU 85 Ca 0.06 0.44 -0.03 0.00 0.02 0.00 0.00 54.97 55.47 1bl3 s GLU 85 Cb -0.07 -0.23 -0.03 0.00 0.10 0.00 0.00 34.13 33.90 1bl3 s GLU 85 CO 0.03 -0.23 0.04 0.00 0.02 0.00 0.00 175.26 175.13 1bl3 s ALA 86 N 1.66 0.44 -0.28 5.21 0.00 -1.26 0.93 121.76 128.46 1bl3 s ALA 86 Ca -0.04 -1.15 -0.25 0.00 0.00 0.00 0.00 51.96 50.52 1bl3 s ALA 86 Cb -0.12 0.47 0.12 0.00 0.00 0.00 0.00 23.12 23.59 1bl3 s ALA 86 CO -0.06 -0.43 1.02 -2.00 0.00 0.00 0.00 175.76 174.29 1bl3 s GLU 87 N -3.94 0.51 -0.11 0.00 2.12 -0.51 -4.83 118.70 111.95 1bl3 s GLU 87 Ca 0.11 0.60 -0.30 0.00 0.36 0.00 0.00 54.97 55.75 1bl3 s GLU 87 Cb 0.07 0.25 -0.02 0.00 0.26 0.00 0.00 34.13 34.69 1bl3 s GLU 87 CO -0.07 -0.06 1.23 0.08 -0.54 0.00 0.00 175.26 175.90 1bl3 s VAL 88 N 0.21 4.26 -0.03 3.70 1.01 -1.26 -0.58 120.40 127.71 1bl3 s VAL 88 Ca 0.03 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.57 1bl3 s VAL 88 Cb -0.05 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1bl3 s VAL 88 CO -0.06 -0.06 0.01 0.27 0.00 0.00 0.00 175.10 175.25 1bl3 s ILE 89 N 2.81 4.26 0.59 2.22 -4.36 -0.06 -4.94 121.20 121.73 1bl3 s ILE 89 Ca 0.55 -0.45 0.30 0.00 -0.26 0.00 0.00 60.65 60.79 1bl3 s ILE 89 Cb -0.23 -2.86 0.36 0.00 1.25 0.00 0.00 42.46 40.97 1bl3 s ILE 89 CO 0.19 0.46 2.16 1.55 0.24 0.00 0.00 174.94 179.53 1bl3 h PRO 90 N 4.63 0.00 -1.97 0.37 0.13 -1.95 -3.38 132.00 129.82 1bl3 h PRO 90 Ca -0.50 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 1bl3 h PRO 90 Cb 1.18 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 1bl3 h PRO 90 CO 0.57 0.00 0.18 0.00 -0.23 0.00 0.00 178.00 178.51 1bl3 s ALA 91 N -4.60 -1.79 -1.13 -0.56 0.00 -1.26 -4.98 121.76 107.44 1bl3 s ALA 91 Ca -0.05 1.71 -0.07 0.00 0.00 0.00 0.00 51.96 53.56 1bl3 s ALA 91 Cb 0.15 -0.68 -0.07 0.00 0.00 0.00 0.00 23.12 22.52 1bl3 s ALA 91 CO 0.53 -0.35 2.42 -1.91 0.00 0.00 0.00 175.76 176.46 1bl3 n GLU 92 N 1.87 2.62 -4.28 0.00 2.13 -1.26 -4.76 120.64 116.96 1bl3 n GLU 92 Ca -0.16 -1.69 -0.24 0.00 0.66 0.00 0.00 57.16 55.73 1bl3 n GLU 92 Cb 0.56 -2.55 -0.08 0.00 0.27 0.00 0.00 31.44 29.64 1bl3 n GLU 92 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1bl3 s THR 93 N 2.93 3.45 0.31 6.31 -4.23 -1.26 -4.48 115.64 118.67 1bl3 s THR 93 Ca 0.50 -1.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.26 1bl3 s THR 93 Cb 0.13 -2.80 0.28 0.00 1.34 0.00 0.00 72.50 71.45 1bl3 s THR 93 CO -0.04 -0.27 1.94 1.23 -0.54 0.00 0.00 174.62 176.94 1bl3 h GLY 94 N 2.26 1.21 1.66 3.99 0.00 -1.86 -1.73 103.07 108.61 1bl3 h GLY 94 Ca -0.45 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.38 1bl3 h GLY 94 CO 0.59 0.33 -0.29 0.06 0.00 0.00 0.00 176.54 177.22 1bl3 h GLN 95 N 1.01 0.39 -0.27 4.80 3.07 -1.94 0.29 115.11 122.45 1bl3 h GLN 95 Ca 0.35 -0.15 -0.17 0.00 0.09 0.00 0.00 58.65 58.76 1bl3 h GLN 95 Cb 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.65 1bl3 h GLN 95 CO -0.11 0.65 -0.51 0.93 0.09 0.00 0.00 178.83 179.87 1bl3 h GLU 96 N 0.34 0.83 -0.31 0.06 4.39 -1.74 -2.54 114.58 115.61 1bl3 h GLU 96 Ca 0.05 -0.52 -0.13 0.00 0.34 0.00 0.00 59.36 59.10 1bl3 h GLU 96 Cb 0.69 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1bl3 h GLU 96 CO 0.05 1.16 -0.29 1.15 -1.16 0.00 0.00 179.01 179.91 1bl3 h THR 97 N 0.59 1.29 -0.86 1.13 2.02 -1.10 -2.32 112.91 113.67 1bl3 h THR 97 Ca 0.01 -1.46 -0.01 0.00 0.77 0.00 0.00 66.41 65.72 1bl3 h THR 97 Cb 1.12 1.53 -0.04 0.00 -1.74 0.00 0.00 68.15 69.02 1bl3 h THR 97 CO 0.11 0.47 0.48 0.00 0.37 0.00 0.00 175.52 176.96 1bl3 h ALA 98 N 0.72 1.10 -0.15 6.16 0.00 -0.45 -0.90 119.26 125.74 1bl3 h ALA 98 Ca 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1bl3 h ALA 98 Cb 0.87 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1bl3 h ALA 98 CO 0.07 0.60 0.07 -0.92 0.00 0.00 0.00 179.25 179.07 1bl3 h TYR 99 N 1.19 0.23 -0.02 0.00 3.20 -1.41 -0.94 116.97 119.22 1bl3 h TYR 99 Ca 0.30 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.18 1bl3 h TYR 99 Cb 0.01 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 1bl3 h TYR 99 CO 0.00 0.28 -0.10 0.35 -1.64 0.00 0.00 178.16 177.06 1bl3 h PHE 100 N 0.11 -0.24 -0.78 -3.82 3.04 -1.14 -1.90 116.94 112.21 1bl3 h PHE 100 Ca 0.05 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.02 1bl3 h PHE 100 Cb 0.14 0.11 -0.04 0.00 2.56 0.00 0.00 35.95 38.72 1bl3 h PHE 100 CO -0.02 -0.15 0.51 1.25 -2.02 0.00 0.00 178.31 177.89 1bl3 h LEU 101 N -0.16 0.91 -0.44 0.59 5.85 -1.09 -1.29 115.31 119.68 1bl3 h LEU 101 Ca 0.04 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1bl3 h LEU 101 Cb 0.21 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1bl3 h LEU 101 CO -0.11 0.66 0.14 0.25 -0.34 0.00 0.00 178.44 179.04 1bl3 h LEU 102 N 1.07 0.64 -0.00 2.25 5.85 -0.80 0.13 115.31 124.44 1bl3 h LEU 102 Ca 0.29 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1bl3 h LEU 102 Cb -0.11 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.75 1bl3 h LEU 102 CO -0.06 0.67 0.00 0.11 -0.34 0.00 0.00 178.44 178.82 1bl3 h LYS 103 N 0.57 0.00 -0.89 1.25 1.57 -0.87 -2.30 116.57 115.91 1bl3 h LYS 103 Ca 0.14 -0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.02 1bl3 h LYS 103 Cb 0.26 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.50 1bl3 h LYS 103 CO -0.00 0.08 0.53 1.25 -0.57 0.00 0.00 179.45 180.74 1bl3 h LEU 104 N -0.08 0.77 -0.93 2.94 5.85 -1.03 -2.29 115.31 120.55 1bl3 h LEU 104 Ca 0.00 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 1bl3 h LEU 104 Cb 0.08 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1bl3 h LEU 104 CO -0.00 0.44 -0.42 0.00 -0.34 0.00 0.00 178.44 178.12 1bl3 h ALA 105 N 1.48 1.01 -0.00 1.25 0.00 -0.79 -1.23 119.26 120.97 1bl3 h ALA 105 Ca 0.43 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1bl3 h ALA 105 Cb 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1bl3 h ALA 105 CO -0.24 0.52 -0.03 0.41 0.00 0.00 0.00 179.25 179.90 1bl3 n GLY 106 N 0.20 -1.00 0.04 0.00 0.00 -0.87 -3.99 105.19 99.57 1bl3 n GLY 106 Ca -0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 1bl3 n GLY 106 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bl3 n ARG 107 N -0.99 0.31 -4.33 1.61 0.63 -1.05 -5.04 116.66 107.80 1bl3 n ARG 107 Ca 0.18 0.05 -0.28 0.00 -0.92 0.00 0.00 57.85 56.87 1bl3 n ARG 107 Cb 0.21 -1.17 -0.11 0.00 0.45 0.00 0.00 32.46 31.84 1bl3 n ARG 107 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1bl3 s TRP 108 N -2.17 2.49 -1.26 -0.14 0.52 -0.49 -5.04 118.94 112.84 1bl3 s TRP 108 Ca -0.11 -0.28 -0.19 0.00 0.02 0.00 0.00 56.10 55.53 1bl3 s TRP 108 Cb 0.03 -1.29 0.02 0.00 -1.15 0.00 0.00 33.47 31.08 1bl3 s TRP 108 CO 0.20 0.42 1.83 -0.35 0.02 0.00 0.00 176.95 179.07 1bl3 n PRO 109 N 0.59 2.69 -2.69 4.98 -0.04 -1.26 -4.45 135.00 134.83 1bl3 n PRO 109 Ca -0.15 -2.97 -0.43 0.00 -0.04 0.00 0.00 63.50 59.92 1bl3 n PRO 109 Cb 0.54 -3.53 -0.02 0.00 -0.04 0.00 0.00 33.50 30.44 1bl3 n PRO 109 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1bl3 s VAL 110 N 6.02 4.72 -0.09 0.52 1.01 -1.26 -4.45 120.40 126.87 1bl3 s VAL 110 Ca 0.57 2.00 0.02 0.00 0.00 0.00 0.00 61.98 64.58 1bl3 s VAL 110 Cb 0.04 -4.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.05 1bl3 s VAL 110 CO 0.08 -0.11 -0.06 0.29 0.00 0.00 0.00 175.10 175.30 1bl3 n LYS 111 N 5.89 0.75 -4.03 2.72 4.01 0.13 -4.66 118.16 122.96 1bl3 n LYS 111 Ca 0.11 0.04 -0.16 0.00 -0.51 0.00 0.00 58.31 57.79 1bl3 n LYS 111 Cb 0.47 -1.19 -0.15 0.00 -0.51 0.00 0.00 35.03 33.65 1bl3 n LYS 111 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1bl3 s THR 112 N -2.19 0.26 -0.11 -0.18 2.01 -0.76 -1.60 115.64 113.07 1bl3 s THR 112 Ca -0.11 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 61.83 1bl3 s THR 112 Cb 0.03 -0.27 0.01 0.00 0.01 0.00 0.00 72.50 72.29 1bl3 s THR 112 CO 0.24 0.11 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.42 1bl3 s VAL 113 N 0.30 1.63 -0.13 3.82 1.01 -0.48 -1.19 120.40 125.35 1bl3 s VAL 113 Ca -0.03 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 1bl3 s VAL 113 Cb -0.06 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 1bl3 s VAL 113 CO -0.01 0.47 0.02 -1.00 0.00 0.00 0.00 175.10 174.58 1bl3 s HIS 114 N 0.91 3.19 0.32 5.22 3.76 -0.52 -0.21 115.29 127.97 1bl3 s HIS 114 Ca -0.08 0.08 -0.02 0.00 -0.15 0.00 0.00 55.06 54.90 1bl3 s HIS 114 Cb -0.15 -1.92 -0.00 0.00 1.11 0.00 0.00 32.58 31.61 1bl3 s HIS 114 CO -0.01 0.29 0.43 0.95 -0.85 0.00 0.00 174.74 175.56 1bl3 s THR 115 N -0.27 0.00 0.33 1.30 -4.23 0.09 -1.58 115.64 111.29 1bl3 s THR 115 Ca 0.07 -1.65 -0.01 0.00 -1.18 0.00 0.00 61.69 58.92 1bl3 s THR 115 Cb -0.12 -2.58 0.07 0.00 1.34 0.00 0.00 72.50 71.21 1bl3 s THR 115 CO 0.02 0.00 0.46 -0.90 -0.54 0.00 0.00 174.62 173.66 1bl3 n ASP 116 N -1.26 0.57 -0.28 3.99 5.68 -1.26 -2.37 116.55 121.62 1bl3 n ASP 116 Ca 0.01 -1.49 0.01 0.00 -0.50 0.00 0.00 54.79 52.82 1bl3 n ASP 116 Cb 0.62 -0.30 0.02 0.00 -1.14 0.00 0.00 41.12 40.32 1bl3 n ASP 116 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1bl3 n ASN 117 N -2.99 0.65 -4.53 -1.12 5.03 -1.26 -4.71 115.26 106.33 1bl3 n ASN 117 Ca 0.07 -2.02 -0.49 0.00 0.87 0.00 0.00 54.58 53.01 1bl3 n ASN 117 Cb 0.26 -0.21 -0.04 0.00 -1.02 0.00 0.00 39.78 38.78 1bl3 n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1bl3 n GLY 118 N 0.38 -0.47 0.39 7.41 0.00 -1.26 -4.58 105.19 107.06 1bl3 n GLY 118 Ca 0.02 0.47 0.18 0.00 0.00 0.00 0.00 46.02 46.69 1bl3 n GLY 118 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bl3 h SER 119 N 2.49 0.53 -0.17 1.61 4.64 -1.93 0.11 113.55 120.82 1bl3 h SER 119 Ca -0.40 0.07 -0.14 0.00 -0.47 0.00 0.00 61.79 60.85 1bl3 h SER 119 Cb 1.38 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 1bl3 h SER 119 CO 0.64 0.18 -0.36 -0.55 -0.87 0.00 0.00 176.83 175.87 1bl3 h ASN 120 N 0.51 0.73 0.89 4.97 -1.07 -1.87 -1.80 115.58 117.93 1bl3 h ASN 120 Ca 0.53 -0.31 -0.17 0.00 0.07 0.00 0.00 56.30 56.42 1bl3 h ASN 120 Cb 1.18 -0.20 -0.02 0.00 -2.07 0.00 0.00 38.32 37.20 1bl3 h ASN 120 CO -0.26 1.02 -0.83 -0.26 0.07 0.00 0.00 177.43 177.17 1bl3 h PHE 121 N 0.58 0.00 -0.43 4.14 0.04 -1.21 -3.12 116.94 116.95 1bl3 h PHE 121 Ca 0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1bl3 h PHE 121 Cb 0.89 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.04 1bl3 h PHE 121 CO 0.04 0.83 0.00 0.25 -0.60 0.00 0.00 178.31 178.83 1bl3 n THR 122 N -3.51 0.56 -1.81 -1.55 -2.24 0.04 -4.76 114.28 101.02 1bl3 n THR 122 Ca -0.00 -0.61 -0.32 0.00 -2.27 0.00 0.00 64.05 60.85 1bl3 n THR 122 Cb 0.80 0.39 0.03 0.00 -2.10 0.00 0.00 70.33 69.45 1bl3 n THR 122 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bl3 s SER 123 N -1.13 5.56 0.21 3.42 1.04 -0.68 -4.92 113.70 117.20 1bl3 s SER 123 Ca 0.33 1.73 -0.05 0.00 0.48 0.00 0.00 55.95 58.44 1bl3 s SER 123 Cb 0.17 -2.52 0.16 0.00 0.10 0.00 0.00 66.02 63.94 1bl3 s SER 123 CO 0.23 -1.32 1.60 0.74 0.98 0.00 0.00 173.24 175.48 1bl3 h THR 124 N -0.13 1.28 -0.61 2.02 2.02 -1.90 -0.15 112.91 115.44 1bl3 h THR 124 Ca -0.45 -1.41 0.01 0.00 0.77 0.00 0.00 66.41 65.32 1bl3 h THR 124 Cb 1.22 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.89 1bl3 h THR 124 CO 0.57 0.47 0.40 0.71 0.37 0.00 0.00 175.52 178.04 1bl3 h THR 125 N 0.65 1.16 -0.36 3.16 1.35 -1.93 1.07 112.91 118.01 1bl3 h THR 125 Ca 0.08 -0.29 -0.16 0.00 -0.55 0.00 0.00 66.41 65.49 1bl3 h THR 125 Cb 0.80 0.26 -0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1bl3 h THR 125 CO 0.07 0.15 -0.41 0.58 -0.25 0.00 0.00 175.52 175.66 1bl3 h VAL 126 N 0.83 1.27 -0.83 6.82 2.07 -1.70 -1.16 116.25 123.55 1bl3 h VAL 126 Ca 0.22 -1.59 0.01 0.00 0.82 0.00 0.00 66.70 66.16 1bl3 h VAL 126 Cb -0.09 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1bl3 h VAL 126 CO -0.05 0.53 0.55 0.50 0.02 0.00 0.00 177.57 179.12 1bl3 h LYS 127 N 0.72 1.10 -0.42 1.57 3.64 -0.24 -1.17 116.57 121.77 1bl3 h LYS 127 Ca 0.05 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 1bl3 h LYS 127 Cb 1.01 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1bl3 h LYS 127 CO 0.10 0.73 -0.07 0.00 -2.27 0.00 0.00 179.45 177.95 1bl3 h ALA 128 N 1.30 1.09 -0.20 5.00 0.00 0.14 -1.15 119.26 125.44 1bl3 h ALA 128 Ca 0.30 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1bl3 h ALA 128 Cb -0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1bl3 h ALA 128 CO -0.06 0.57 -0.11 0.00 0.00 0.00 0.00 179.25 179.64 1bl3 h ALA 129 N 1.26 0.28 -0.33 0.00 0.00 -0.68 -1.50 119.26 118.29 1bl3 h ALA 129 Ca 0.12 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1bl3 h ALA 129 Cb 0.51 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1bl3 h ALA 129 CO 0.03 0.13 0.07 0.00 0.00 0.00 0.00 179.25 179.48 1bl3 h TRP 131 N 0.48 -0.03 -0.39 0.00 2.91 -0.99 0.32 115.95 118.25 1bl3 h TRP 131 Ca 0.11 -0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.07 1bl3 h TRP 131 Cb 0.21 0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 28.85 1bl3 h TRP 131 CO 0.01 0.24 -0.03 2.35 -1.03 0.00 0.00 178.44 179.98 1bl3 h TRP 132 N -0.31 0.67 0.00 2.65 7.01 -0.86 -3.01 115.95 122.10 1bl3 h TRP 132 Ca -0.00 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 60.91 1bl3 h TRP 132 Cb 0.29 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.17 1bl3 h TRP 132 CO 0.02 0.66 -0.24 0.00 -2.79 0.00 0.00 178.44 176.09 1bl3 n ALA 133 N -2.48 2.55 -1.65 2.65 0.00 0.32 -4.94 120.51 116.97 1bl3 n ALA 133 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1bl3 n ALA 133 Cb 0.29 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1bl3 n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bl3 n GLY 134 N 1.33 0.63 3.78 0.00 0.00 0.09 -5.03 105.19 105.99 1bl3 n GLY 134 Ca 0.05 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 1bl3 n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bl3 s ILE 135 N -2.00 5.26 -0.28 -0.61 1.01 0.92 -4.81 121.20 120.69 1bl3 s ILE 135 Ca 0.00 0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.65 1bl3 s ILE 135 Cb 0.00 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 1bl3 s ILE 135 CO 0.00 0.55 0.24 -0.75 0.00 0.00 0.00 174.94 174.97 1bl3 s LYS 136 N -0.44 3.97 0.30 2.79 2.20 -0.62 -4.46 119.74 123.48 1bl3 s LYS 136 Ca 0.11 -0.22 -0.16 0.00 -0.36 0.00 0.00 55.97 55.34 1bl3 s LYS 136 Cb -0.12 -3.65 -0.09 0.00 -1.51 0.00 0.00 37.83 32.46 1bl3 s LYS 136 CO 0.02 -0.19 0.73 -0.65 -0.36 0.00 0.00 175.35 174.89 1bl3 s GLN 137 N 1.81 4.05 -0.04 4.03 -0.21 -1.26 -1.39 119.66 126.65 1bl3 s GLN 137 Ca 0.09 0.71 -0.04 0.00 0.02 0.00 0.00 55.36 56.14 1bl3 s GLN 137 Cb -0.16 -2.53 0.01 0.00 1.00 0.00 0.00 33.01 31.34 1bl3 s GLN 137 CO 0.10 0.21 0.11 -2.00 -2.12 0.00 0.00 175.29 171.60 1bl3 s GLU 138 N -2.76 0.12 0.32 2.91 2.56 0.71 -4.91 118.70 117.65 1bl3 s GLU 138 Ca 0.52 0.18 0.10 0.00 0.00 0.00 0.00 54.97 55.77 1bl3 s GLU 138 Cb -0.12 0.04 -0.06 0.00 2.00 0.00 0.00 34.13 35.99 1bl3 s GLU 138 CO 0.18 -0.03 -0.13 -0.06 -0.56 0.00 0.00 175.26 174.66 1bl3 s PHE 139 N 0.18 2.38 0.00 5.30 0.40 -1.26 -0.73 117.98 124.25 1bl3 s PHE 139 Ca -0.01 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.89 1bl3 s PHE 139 Cb -0.02 -1.24 0.00 0.00 0.51 0.00 0.00 43.02 42.27 1bl3 s PHE 139 CO -0.00 0.63 0.00 0.41 0.70 0.00 0.00 175.22 176.96 1bl3 n GLY 140 N -0.74 -1.16 1.72 4.36 0.00 -1.00 -4.91 105.19 103.46 1bl3 n GLY 140 Ca -0.05 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1bl3 n GLY 140 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1bl3 n ILE 151 N 0.00 0.00 -0.05 -0.61 3.06 -1.26 -4.54 119.36 115.96 1bl3 n ILE 151 Ca 0.00 0.00 0.22 0.00 -2.50 0.00 0.00 62.75 60.47 1bl3 n ILE 151 Cb 0.00 0.00 0.69 0.00 0.54 0.00 0.00 39.64 40.87 1bl3 n ILE 151 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 1bl3 h GLU 152 N 0.00 0.01 0.02 9.51 4.81 -2.00 0.45 114.58 127.38 1bl3 h GLU 152 Ca 0.00 -0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.99 1bl3 h GLU 152 Cb 0.00 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1bl3 h GLU 152 CO 0.00 0.01 -1.20 0.66 -0.73 0.00 0.00 179.01 177.75 1bl3 h SER 153 N 0.01 0.07 -0.66 1.04 4.64 -2.05 -2.98 113.55 113.62 1bl3 h SER 153 Ca 0.30 -0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.47 1bl3 h SER 153 Cb 1.18 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 1bl3 h SER 153 CO -0.01 1.07 0.15 -0.03 -0.87 0.00 0.00 176.83 177.14 1bl3 h MET 154 N 0.01 1.07 -0.67 4.77 4.05 -0.64 0.41 114.93 123.93 1bl3 h MET 154 Ca -0.09 -0.26 -0.02 0.00 -0.28 0.00 0.00 59.70 59.04 1bl3 h MET 154 Cb 1.85 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 32.49 1bl3 h MET 154 CO 0.13 0.96 0.33 -0.91 0.23 0.00 0.00 176.91 177.65 1bl3 h ASN 155 N 0.99 0.84 0.09 1.39 2.35 -0.98 0.26 115.58 120.53 1bl3 h ASN 155 Ca 0.21 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1bl3 h ASN 155 Cb 0.38 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1bl3 h ASN 155 CO 0.00 0.70 -0.04 0.50 -1.65 0.00 0.00 177.43 176.95 1bl3 h LYS 156 N 0.94 -0.12 -0.56 0.81 3.64 -1.15 -1.63 116.57 118.49 1bl3 h LYS 156 Ca 0.23 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.66 1bl3 h LYS 156 Cb 0.08 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.88 1bl3 h LYS 156 CO -0.03 0.26 0.32 1.49 -2.27 0.00 0.00 179.45 179.22 1bl3 h GLU 157 N -0.52 0.61 -0.41 1.90 4.57 0.11 -0.25 114.58 120.59 1bl3 h GLU 157 Ca -0.01 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1bl3 h GLU 157 Cb 0.43 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 1bl3 h GLU 157 CO 0.02 0.40 0.21 1.25 -1.18 0.00 0.00 179.01 179.72 1bl3 h LEU 158 N 0.63 0.32 -1.36 1.64 6.46 -0.48 0.63 115.31 123.15 1bl3 h LEU 158 Ca 0.24 0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.96 1bl3 h LEU 158 Cb 0.07 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 1bl3 h LEU 158 CO -0.12 0.23 -0.15 0.11 -0.62 0.00 0.00 178.44 177.89 1bl3 h LYS 159 N 0.43 0.23 -0.05 1.25 1.57 -0.71 0.56 116.57 119.86 1bl3 h LYS 159 Ca 0.17 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1bl3 h LYS 159 Cb 0.06 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1bl3 h LYS 159 CO -0.11 0.39 -0.01 -0.22 -0.57 0.00 0.00 179.45 178.93 1bl3 h LYS 160 N 0.22 0.10 -0.36 3.15 3.64 0.16 -1.61 116.57 121.87 1bl3 h LYS 160 Ca 0.04 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1bl3 h LYS 160 Cb 0.41 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1bl3 h LYS 160 CO 0.03 0.43 0.00 0.82 -2.27 0.00 0.00 179.45 178.46 1bl3 h ILE 161 N -0.25 1.20 -0.73 2.00 2.04 -0.57 -2.15 117.51 119.06 1bl3 h ILE 161 Ca 0.01 -0.81 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 1bl3 h ILE 161 Cb 0.40 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1bl3 h ILE 161 CO 0.00 0.28 0.28 0.40 0.00 0.00 0.00 178.15 179.12 1bl3 h ILE 162 N 0.54 1.25 -0.27 -0.67 2.04 -0.75 -1.64 117.51 118.01 1bl3 h ILE 162 Ca 0.11 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 1bl3 h ILE 162 Cb 0.34 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1bl3 h ILE 162 CO 0.01 0.32 0.01 1.23 0.00 0.00 0.00 178.15 179.73 1bl3 h GLY 163 N 1.05 0.43 1.61 5.37 0.00 -0.69 0.36 103.07 111.20 1bl3 h GLY 163 Ca 0.24 -0.23 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 1bl3 h GLY 163 CO -0.02 0.22 -0.37 1.46 0.00 0.00 0.00 176.54 177.83 1bl3 h GLN 164 N 0.39 0.44 -0.11 4.80 4.20 -0.71 -3.28 115.11 120.84 1bl3 h GLN 164 Ca 0.09 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1bl3 h GLN 164 Cb 0.24 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1bl3 h GLN 164 CO 0.00 0.74 0.00 1.33 -0.67 0.00 0.00 178.83 180.24 1bl3 n VAL 165 N -4.05 0.34 -0.31 -0.54 0.24 -0.83 -4.72 118.33 108.45 1bl3 n VAL 165 Ca -0.01 -0.67 0.11 0.00 -2.04 0.00 0.00 64.34 61.73 1bl3 n VAL 165 Cb 0.47 0.96 0.28 0.00 -1.47 0.00 0.00 33.84 34.09 1bl3 n VAL 165 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1bl3 h ARG 166 N 1.81 0.54 0.00 7.34 9.65 -0.35 0.07 114.38 133.44 1bl3 h ARG 166 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1bl3 h ARG 166 Cb 0.50 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 1bl3 h ARG 166 CO 0.00 0.36 0.00 -0.40 2.80 0.00 0.00 179.97 182.73 1bl3 n ASP 167 N -4.92 0.00 -0.96 -3.80 5.75 -1.26 -2.58 116.55 108.78 1bl3 n ASP 167 Ca 0.21 -0.14 0.10 0.00 -0.01 0.00 0.00 54.79 54.94 1bl3 n ASP 167 Cb 0.56 -0.17 0.26 0.00 -1.03 0.00 0.00 41.12 40.74 1bl3 n ASP 167 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bl3 n GLN 168 N -1.17 2.22 -3.75 0.11 6.02 0.01 -4.90 117.38 115.92 1bl3 n GLN 168 Ca 0.09 -1.88 -0.13 0.00 -0.01 0.00 0.00 57.00 55.06 1bl3 n GLN 168 Cb 0.09 -1.43 -0.08 0.00 1.02 0.00 0.00 30.24 29.84 1bl3 n GLN 168 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bl3 s ALA 169 N -1.39 -0.81 -0.10 -1.58 0.00 -1.06 -5.01 121.76 111.81 1bl3 s ALA 169 Ca 0.36 0.30 -0.28 0.00 0.00 0.00 0.00 51.96 52.34 1bl3 s ALA 169 Cb 0.19 0.13 -0.24 0.00 0.00 0.00 0.00 23.12 23.21 1bl3 s ALA 169 CO 0.26 -0.30 0.94 1.49 0.00 0.00 0.00 175.76 178.15 1bl3 h GLU 170 N 3.67 0.00 -5.95 0.00 4.81 -1.91 -3.46 114.58 111.75 1bl3 h GLU 170 Ca -0.30 -0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.32 1bl3 h GLU 170 Cb 1.18 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.50 1bl3 h GLU 170 CO 0.41 0.83 -0.19 -1.01 -0.73 0.00 0.00 179.01 178.32 1bl3 s HIS 171 N -2.91 3.69 0.47 0.92 3.76 -1.26 -4.99 115.29 114.96 1bl3 s HIS 171 Ca -0.18 0.97 0.12 0.00 -0.15 0.00 0.00 55.06 55.82 1bl3 s HIS 171 Cb -0.01 -2.34 1.09 0.00 1.11 0.00 0.00 32.58 32.42 1bl3 s HIS 171 CO 0.69 0.55 2.11 1.25 -0.85 0.00 0.00 174.74 178.48 1bl3 h LEU 172 N 5.11 0.20 -1.25 0.89 5.85 -1.95 -1.86 115.31 122.29 1bl3 h LEU 172 Ca -0.49 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.25 1bl3 h LEU 172 Cb 1.21 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 1bl3 h LEU 172 CO 0.64 0.15 0.52 0.07 -0.34 0.00 0.00 178.44 179.49 1bl3 h LYS 173 N 0.23 0.96 -0.11 1.25 2.10 -1.96 0.13 116.57 119.17 1bl3 h LYS 173 Ca 0.06 -0.06 -0.09 0.00 -2.00 0.00 0.00 60.65 58.57 1bl3 h LYS 173 Cb -0.01 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 31.10 1bl3 h LYS 173 CO -0.01 0.63 -0.27 1.15 -2.00 0.00 0.00 179.45 178.96 1bl3 h THR 174 N 0.99 1.39 -0.61 0.07 2.02 -1.77 -2.97 112.91 112.03 1bl3 h THR 174 Ca 0.31 -1.57 0.03 0.00 0.77 0.00 0.00 66.41 65.95 1bl3 h THR 174 Cb 0.02 2.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 1bl3 h THR 174 CO -0.09 0.46 0.40 0.00 0.37 0.00 0.00 175.52 176.66 1bl3 h ALA 175 N 0.51 1.68 -0.41 6.16 0.00 -1.09 -0.64 119.26 125.46 1bl3 h ALA 175 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1bl3 h ALA 175 Cb 0.87 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1bl3 h ALA 175 CO 0.06 0.26 0.05 0.28 0.00 0.00 0.00 179.25 179.90 1bl3 h VAL 176 N 0.72 1.25 -0.30 0.00 2.07 -0.73 -0.61 116.25 118.64 1bl3 h VAL 176 Ca 0.24 -0.90 -0.10 0.00 0.82 0.00 0.00 66.70 66.76 1bl3 h VAL 176 Cb 0.08 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1bl3 h VAL 176 CO -0.07 0.31 -0.23 1.56 0.02 0.00 0.00 177.57 179.16 1bl3 h GLN 177 N 0.53 0.59 -0.46 1.57 1.08 -1.20 -0.94 115.11 116.28 1bl3 h GLN 177 Ca 0.12 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 57.07 1bl3 h GLN 177 Cb 0.39 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 1bl3 h GLN 177 CO 0.01 0.77 0.15 0.52 -0.95 0.00 0.00 178.83 179.34 1bl3 h MET 178 N 0.52 0.71 -0.20 1.46 2.86 -0.93 -1.18 114.93 118.17 1bl3 h MET 178 Ca 0.08 -0.15 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 1bl3 h MET 178 Cb 0.68 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1bl3 h MET 178 CO 0.05 0.67 -0.17 0.00 1.06 0.00 0.00 176.91 178.53 1bl3 h ALA 179 N 1.01 1.36 -0.17 6.32 0.00 -0.77 -0.18 119.26 126.83 1bl3 h ALA 179 Ca 0.15 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 1bl3 h ALA 179 Cb 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1bl3 h ALA 179 CO -0.01 0.44 -0.34 0.28 0.00 0.00 0.00 179.25 179.62 1bl3 h VAL 180 N 0.31 1.35 -0.05 0.00 2.07 -0.90 -0.48 116.25 118.54 1bl3 h VAL 180 Ca 0.06 -1.59 0.04 0.00 0.82 0.00 0.00 66.70 66.03 1bl3 h VAL 180 Cb 0.48 1.94 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 1bl3 h VAL 180 CO 0.03 0.48 -0.28 0.15 0.02 0.00 0.00 177.57 177.97 1bl3 h PHE 181 N 0.17 -0.76 -0.44 1.57 3.04 -0.90 0.65 116.94 120.27 1bl3 h PHE 181 Ca 0.01 0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.02 1bl3 h PHE 181 Cb 0.93 0.34 -0.04 0.00 2.56 0.00 0.00 35.95 39.75 1bl3 h PHE 181 CO 0.10 -0.37 0.21 0.82 -2.02 0.00 0.00 178.31 177.05 1bl3 h ILE 182 N -0.39 0.95 -0.49 1.41 2.04 -0.99 -0.90 117.51 119.14 1bl3 h ILE 182 Ca 0.08 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 1bl3 h ILE 182 Cb 0.51 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1bl3 h ILE 182 CO -0.28 0.08 -0.02 -0.74 0.00 0.00 0.00 178.15 177.19 1bl3 h HIS 183 N 0.43 0.88 0.00 1.37 2.76 -0.63 -1.15 115.15 118.81 1bl3 h HIS 183 Ca 0.19 -0.13 -0.14 0.00 -2.20 0.00 0.00 60.37 58.10 1bl3 h HIS 183 Cb 0.11 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.82 1bl3 h HIS 183 CO -0.11 0.82 -0.67 -0.91 -1.30 0.00 0.00 177.93 175.77 1bl3 h ASN 184 N 0.76 0.00 0.00 3.26 2.35 -0.56 -3.36 115.58 118.03 1bl3 h ASN 184 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1bl3 h ASN 184 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1bl3 h ASN 184 CO 0.02 0.64 -0.91 1.41 -1.65 0.00 0.00 177.43 176.94 1bl3 n HIS 185 N -3.25 0.00 -1.67 1.19 8.25 -0.37 0.22 115.22 119.60 1bl3 n HIS 185 Ca 0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.04 1bl3 n HIS 185 Cb 0.79 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.81 1bl3 n HIS 185 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1bl3 n LYS 186 N -1.49 2.78 -1.72 -0.41 4.81 -0.44 -4.86 118.16 116.83 1bl3 n LYS 186 Ca 0.02 1.02 -0.43 0.00 -0.87 0.00 0.00 58.31 58.05 1bl3 n LYS 186 Cb 0.27 -2.95 -0.03 0.00 0.02 0.00 0.00 35.03 32.34 1bl3 n LYS 186 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1bl3 n ARG 187 N 7.18 2.63 -4.40 1.64 0.63 -1.26 -4.44 116.66 118.63 1bl3 n ARG 187 Ca 0.20 0.94 -0.29 0.00 -0.92 0.00 0.00 57.85 57.78 1bl3 n ARG 187 Cb 0.39 -2.74 -0.13 0.00 0.45 0.00 0.00 32.46 30.43 1bl3 n ARG 187 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1bl3 s LYS 188 N 0.37 1.57 0.00 -0.14 -0.14 -1.26 -4.68 119.74 115.45 1bl3 s LYS 188 Ca 0.71 -1.27 0.00 0.00 -1.36 0.00 0.00 55.97 54.05 1bl3 s LYS 188 Cb -0.53 -1.98 0.00 0.00 -1.68 0.00 0.00 37.83 33.64 1bl3 s LYS 188 CO 0.40 0.47 0.00 0.41 -0.76 0.00 0.00 175.35 175.87 1bl3 n GLY 189 N 0.95 0.54 2.62 -3.33 0.00 -1.26 -3.52 105.19 101.18 1bl3 n GLY 189 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1bl3 n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bl3 n GLY 190 N -2.15 0.47 3.00 -0.02 0.00 -1.26 -4.98 105.19 100.24 1bl3 n GLY 190 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1bl3 n GLY 190 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1bl3 s ILE 191 N -2.17 -0.01 1.25 -0.61 2.07 -1.23 -5.16 121.20 115.34 1bl3 s ILE 191 Ca 0.00 0.03 -0.16 0.00 -1.41 0.00 0.00 60.65 59.11 1bl3 s ILE 191 Cb 0.00 -0.20 0.29 0.00 0.13 0.00 0.00 42.46 42.68 1bl3 s ILE 191 CO 0.00 0.01 0.83 0.61 -1.91 0.00 0.00 174.94 174.48 1bl3 n GLY 192 N 3.20 -2.59 2.60 1.50 0.00 -1.26 -4.13 105.19 104.50 1bl3 n GLY 192 Ca -0.15 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1bl3 n GLY 192 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bl3 n GLY 193 N 1.42 1.07 0.46 -0.02 0.00 -1.26 -4.90 105.19 101.96 1bl3 n GLY 193 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1bl3 n GLY 193 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bl3 n TYR 194 N -2.00 0.32 -2.35 1.61 9.36 -1.26 -4.55 117.16 118.29 1bl3 n TYR 194 Ca 0.00 -1.13 -0.33 0.00 3.32 0.00 0.00 57.90 59.76 1bl3 n TYR 194 Cb 0.00 -0.24 -0.02 0.00 -0.63 0.00 0.00 39.34 38.45 1bl3 n TYR 194 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1bl3 s SER 195 N -2.70 6.29 0.32 2.98 1.04 -1.26 -4.36 113.70 116.00 1bl3 s SER 195 Ca 0.37 1.76 0.07 0.00 0.48 0.00 0.00 55.95 58.63 1bl3 s SER 195 Cb 0.32 -2.53 0.77 0.00 0.10 0.00 0.00 66.02 64.68 1bl3 s SER 195 CO 0.02 -0.82 1.80 0.00 0.98 0.00 0.00 173.24 175.22 1bl3 h ALA 196 N 1.01 1.74 -0.01 5.32 0.00 -1.76 0.53 119.26 126.09 1bl3 h ALA 196 Ca -0.48 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 1bl3 h ALA 196 Cb 1.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1bl3 h ALA 196 CO 0.59 -0.08 -0.34 0.78 0.00 0.00 0.00 179.25 180.20 1bl3 h GLY 197 N 0.74 0.03 1.38 0.00 0.00 -0.53 -2.18 103.07 102.52 1bl3 h GLY 197 Ca 0.55 -0.02 -0.31 0.00 0.00 0.00 0.00 47.33 47.55 1bl3 h GLY 197 CO -0.33 0.02 -1.35 0.83 0.00 0.00 0.00 176.54 175.71 1bl3 h GLU 198 N 0.02 0.47 -0.26 4.80 5.08 -1.18 -3.27 114.58 120.25 1bl3 h GLU 198 Ca 0.00 -0.76 0.00 0.00 -1.00 0.00 0.00 59.36 57.60 1bl3 h GLU 198 Cb 0.61 0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1bl3 h GLU 198 CO 0.05 1.35 0.17 0.00 -1.00 0.00 0.00 179.01 179.58 1bl3 h ARG 199 N 0.15 0.35 -0.50 2.33 3.08 -0.90 -2.02 114.38 116.86 1bl3 h ARG 199 Ca -0.20 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 1bl3 h ARG 199 Cb 2.05 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 32.00 1bl3 h ARG 199 CO 0.25 0.25 0.25 0.97 -1.07 0.00 0.00 179.97 180.61 1bl3 h ILE 200 N 0.34 1.19 -0.55 2.04 2.10 -1.53 0.20 117.51 121.30 1bl3 h ILE 200 Ca 0.09 -0.52 -0.01 0.00 1.08 0.00 0.00 64.86 65.50 1bl3 h ILE 200 Cb -0.02 0.61 -0.03 0.00 -1.09 0.00 0.00 36.82 36.29 1bl3 h ILE 200 CO -0.02 0.21 0.29 0.58 -1.08 0.00 0.00 178.15 178.13 1bl3 h VAL 201 N 0.66 1.17 -0.07 2.19 2.07 -1.58 0.61 116.25 121.31 1bl3 h VAL 201 Ca 0.17 -0.44 -0.20 0.00 0.82 0.00 0.00 66.70 67.05 1bl3 h VAL 201 Cb 0.10 0.44 0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1bl3 h VAL 201 CO -0.02 0.19 -0.72 -0.78 0.02 0.00 0.00 177.57 176.26 1bl3 h ASP 202 N 0.77 0.76 0.06 0.57 1.82 -0.95 -2.32 116.42 117.13 1bl3 h ASP 202 Ca 0.20 -0.68 -0.00 0.00 -0.39 0.00 0.00 57.03 56.15 1bl3 h ASP 202 Cb 0.03 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 39.82 1bl3 h ASP 202 CO -0.03 1.33 -0.03 0.40 -1.61 0.00 0.00 179.24 179.31 1bl3 h ILE 203 N 0.26 0.99 -0.23 2.25 2.04 -0.56 0.26 117.51 122.52 1bl3 h ILE 203 Ca -0.07 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1bl3 h ILE 203 Cb 1.38 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 1bl3 h ILE 203 CO 0.15 0.03 0.15 0.40 0.00 0.00 0.00 178.15 178.88 1bl3 h ILE 204 N -0.13 1.05 -0.68 -0.67 1.08 -0.97 -1.78 117.51 115.41 1bl3 h ILE 204 Ca -0.01 -0.10 -0.05 0.00 -0.39 0.00 0.00 64.86 64.31 1bl3 h ILE 204 Cb 0.11 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 1bl3 h ILE 204 CO 0.01 0.06 0.23 0.00 -0.69 0.00 0.00 178.15 177.76 1bl3 h ALA 205 N 1.09 0.88 0.00 1.87 0.00 -1.27 0.15 119.26 121.98 1bl3 h ALA 205 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1bl3 h ALA 205 Cb -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1bl3 h ALA 205 CO -0.02 0.55 0.00 1.15 0.00 0.00 0.00 179.25 180.92 1bl3 h THR 206 N 0.98 0.00 0.00 0.00 2.02 -0.32 -2.95 112.91 112.64 1bl3 h THR 206 Ca 0.22 -0.23 -0.29 0.00 0.77 0.00 0.00 66.41 66.88 1bl3 h THR 206 Cb 0.27 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 67.59 1bl3 h THR 206 CO -0.01 0.00 -2.03 -0.67 0.37 0.00 0.00 175.52 173.17 1bl3 n ASP 207 N -2.32 0.37 0.00 4.18 2.03 -0.41 -5.07 116.55 115.33 1bl3 n ASP 207 Ca 0.02 0.17 0.15 0.00 0.52 0.00 0.00 54.79 55.65 1bl3 n ASP 207 Cb 0.22 0.65 0.92 0.00 -0.72 0.00 0.00 41.12 42.18 1bl3 n ASP 207 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58