#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bvl s HIS 1004N 0.00 3.50 0.08 -1.40 5.65 -1.26 -5.09 115.29 116.77 3bvl s HIS 1004Ca 0.00 0.87 0.05 0.00 0.25 0.00 0.00 55.06 56.23 3bvl s HIS 1004Cb 0.00 -2.55 -0.04 0.00 -1.18 0.00 0.00 32.58 28.81 3bvl s HIS 1004CO 0.00 0.16 -0.04 -1.12 -0.65 0.00 0.00 174.74 173.08 3bvl s SER 1003N 0.65 4.76 0.50 9.88 0.01 -1.26 -5.11 113.70 123.13 3bvl s SER 1003Ca 0.25 -0.23 -0.23 0.00 1.31 0.00 0.00 55.95 57.05 3bvl s SER 1003Cb -0.15 -1.07 -0.06 0.00 0.21 0.00 0.00 66.02 64.95 3bvl s SER 1003CO 0.10 0.20 1.28 -1.10 0.41 0.00 0.00 173.24 174.13 3bvl s GLN 1002N -2.11 3.45 0.83 12.44 -1.52 -1.26 -4.98 119.66 126.51 3bvl s GLN 1002Ca 0.23 2.07 -0.13 0.00 -1.95 0.00 0.00 55.36 55.57 3bvl s GLN 1002Cb -0.11 -2.37 0.08 0.00 -0.22 0.00 0.00 33.01 30.39 3bvl s GLN 1002CO 0.15 -0.88 1.09 -0.25 -0.25 0.00 0.00 175.29 175.15 3bvl n ASP 1001N -0.70 0.57 -4.59 5.90 8.00 -1.26 -4.94 116.55 119.53 3bvl n ASP 1001Ca 0.08 0.55 -0.45 0.00 0.71 0.00 0.00 54.79 55.68 3bvl n ASP 1001Cb 0.46 -1.46 -0.02 0.00 -0.02 0.00 0.00 41.12 40.07 3bvl n ASP 1001CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3bvl n PRO 0 N -3.12 1.36 0.00 -0.24 -0.02 -1.23 -4.83 135.00 126.92 3bvl n PRO 0 Ca 0.13 0.48 0.13 0.00 -2.02 0.00 0.00 63.50 62.22 3bvl n PRO 0 Cb 0.51 -1.90 0.40 0.00 -0.02 0.00 0.00 33.50 32.49 3bvl n PRO 0 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3bvl n MET 1 N 1.03 0.52 -4.24 -0.52 2.81 0.10 -4.88 117.12 111.94 3bvl n MET 1 Ca 0.11 -0.27 -0.23 0.00 -1.81 0.00 0.00 57.70 55.49 3bvl n MET 1 Cb 0.30 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 31.25 3bvl n MET 1 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3bvl s LEU 2 N -2.67 3.35 0.63 4.03 1.43 -1.26 -5.12 118.68 119.07 3bvl s LEU 2 Ca 0.21 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 52.65 3bvl s LEU 2 Cb 0.19 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 3bvl s LEU 2 CO 0.57 0.01 1.07 -0.94 0.23 0.00 0.00 176.35 177.29 3bvl s SER 3 N -3.55 5.51 0.23 2.29 1.04 -1.26 -4.83 113.70 113.12 3bvl s SER 3 Ca 0.31 1.82 -0.07 0.00 0.48 0.00 0.00 55.95 58.49 3bvl s SER 3 Cb -0.07 -2.53 0.38 0.00 0.10 0.00 0.00 66.02 63.89 3bvl s SER 3 CO 0.21 -1.35 1.73 0.11 0.98 0.00 0.00 173.24 174.92 3bvl h LYS 4 N 0.07 0.41 -0.55 4.02 1.57 -1.99 -0.32 116.57 119.79 3bvl h LYS 4 Ca -0.46 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.23 3bvl h LYS 4 Cb 1.22 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 3bvl h LYS 4 CO 0.56 0.27 0.09 -0.44 -0.57 0.00 0.00 179.45 179.37 3bvl h ASP 5 N 0.42 0.86 -0.42 0.86 3.45 -2.00 -1.72 116.42 117.88 3bvl h ASP 5 Ca 0.37 -0.26 -0.09 0.00 0.43 0.00 0.00 57.03 57.47 3bvl h ASP 5 Cb 0.51 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.04 3bvl h ASP 5 CO -0.37 0.90 -0.11 0.40 -1.57 0.00 0.00 179.24 178.50 3bvl h ILE 6 N 0.79 1.27 -0.43 0.35 1.08 -1.83 -2.17 117.51 116.58 3bvl h ILE 6 Ca 0.17 -1.21 0.07 0.00 -0.39 0.00 0.00 64.86 63.49 3bvl h ILE 6 Cb 0.41 1.20 -0.06 0.00 -3.07 0.00 0.00 36.82 35.30 3bvl h ILE 6 CO 0.01 0.41 0.10 0.40 -0.69 0.00 0.00 178.15 178.38 3bvl h ILE 7 N 0.63 0.79 -0.27 -0.67 2.04 -0.95 -0.34 117.51 118.74 3bvl h ILE 7 Ca 0.10 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 3bvl h ILE 7 Cb 0.64 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3bvl h ILE 7 CO 0.04 0.04 0.08 0.50 0.00 0.00 0.00 178.15 178.81 3bvl h LYS 8 N 0.23 0.42 -0.73 2.37 3.64 -1.18 -1.19 116.57 120.14 3bvl h LYS 8 Ca 0.21 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3bvl h LYS 8 Cb 0.25 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 3bvl h LYS 8 CO -0.26 0.50 0.48 -0.07 -2.27 0.00 0.00 179.45 177.82 3bvl h LEU 9 N 0.27 0.83 -0.38 5.20 3.38 -1.17 -0.28 115.31 123.16 3bvl h LEU 9 Ca 0.09 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 3bvl h LEU 9 Cb 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3bvl h LEU 9 CO -0.00 0.59 -0.26 -0.07 0.09 0.00 0.00 178.44 178.79 3bvl h LEU 10 N 0.98 0.88 -0.72 1.67 3.38 -0.92 0.12 115.31 120.70 3bvl h LEU 10 Ca 0.27 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3bvl h LEU 10 Cb -0.10 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 3bvl h LEU 10 CO -0.07 1.12 0.35 0.78 0.09 0.00 0.00 178.44 180.72 3bvl h ASN 11 N 0.64 0.94 -0.78 -0.43 -0.26 -1.07 -0.46 115.58 114.16 3bvl h ASN 11 Ca 0.07 -0.13 -0.01 0.00 -0.56 0.00 0.00 56.30 55.68 3bvl h ASN 11 Cb 0.83 -0.24 -0.04 0.00 -1.06 0.00 0.00 38.32 37.81 3bvl h ASN 11 CO 0.07 0.81 0.46 -0.33 -1.06 0.00 0.00 177.43 177.38 3bvl h GLU 12 N 1.01 1.07 -0.49 0.81 5.08 -0.86 -2.24 114.58 118.96 3bvl h GLU 12 Ca 0.25 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 3bvl h GLU 12 Cb 0.11 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3bvl h GLU 12 CO -0.03 0.76 -0.05 0.37 -1.00 0.00 0.00 179.01 179.07 3bvl h GLN 13 N 1.09 0.86 -0.29 2.33 5.75 -0.31 -0.06 115.11 124.49 3bvl h GLN 13 Ca 0.28 -0.26 0.04 0.00 -0.15 0.00 0.00 58.65 58.55 3bvl h GLN 13 Cb -0.02 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.41 3bvl h GLN 13 CO -0.05 0.89 0.07 0.28 -2.65 0.00 0.00 178.83 177.37 3bvl h VAL 14 N 0.79 0.88 -0.11 2.39 2.07 -0.61 -1.45 116.25 120.22 3bvl h VAL 14 Ca 0.14 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.51 3bvl h VAL 14 Cb 0.54 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3bvl h VAL 14 CO 0.03 0.03 -0.35 0.78 0.02 0.00 0.00 177.57 178.08 3bvl h ASN 15 N 0.18 0.22 -0.50 0.57 2.35 -1.09 -1.69 115.58 115.62 3bvl h ASN 15 Ca 0.13 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3bvl h ASN 15 Cb 0.13 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 3bvl h ASN 15 CO -0.16 0.56 0.28 0.11 -1.65 0.00 0.00 177.43 176.57 3bvl h LYS 16 N 0.19 0.69 -0.47 0.81 1.57 -0.65 0.06 116.57 118.77 3bvl h LYS 16 Ca 0.02 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 3bvl h LYS 16 Cb 0.71 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 3bvl h LYS 16 CO 0.05 0.52 -0.19 0.93 -0.57 0.00 0.00 179.45 180.19 3bvl h GLU 17 N 0.66 0.93 -0.47 3.15 4.39 -0.94 0.66 114.58 122.97 3bvl h GLU 17 Ca 0.18 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 3bvl h GLU 17 Cb 0.03 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 3bvl h GLU 17 CO -0.03 1.03 0.24 0.52 -1.16 0.00 0.00 179.01 179.61 3bvl h MET 18 N 0.81 0.66 -0.55 2.33 2.86 -1.17 -0.13 114.93 119.75 3bvl h MET 18 Ca 0.11 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3bvl h MET 18 Cb 0.74 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 3bvl h MET 18 CO 0.06 0.55 0.31 -0.97 1.06 0.00 0.00 176.91 177.91 3bvl h ASN 19 N 0.61 0.68 -0.38 1.22 -0.73 -0.75 -2.50 115.58 113.74 3bvl h ASN 19 Ca 0.16 -0.09 0.05 0.00 1.87 0.00 0.00 56.30 58.29 3bvl h ASN 19 Cb 0.09 -0.17 -0.04 0.00 0.27 0.00 0.00 38.32 38.46 3bvl h ASN 19 CO -0.02 0.57 0.12 0.28 -0.37 0.00 0.00 177.43 178.01 3bvl h SER 20 N 0.74 0.10 -0.37 1.15 0.02 -0.55 -1.22 113.55 113.43 3bvl h SER 20 Ca 0.19 0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.25 3bvl h SER 20 Cb 0.04 0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.57 3bvl h SER 20 CO -0.03 0.09 0.04 -1.28 -1.14 0.00 0.00 176.83 174.51 3bvl h SER 21 N 0.26 -0.07 -0.70 3.07 0.87 -0.73 -0.58 113.55 115.69 3bvl h SER 21 Ca 0.18 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 3bvl h SER 21 Cb 0.17 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 3bvl h SER 21 CO -0.19 0.00 0.30 0.78 -0.53 0.00 0.00 176.83 177.19 3bvl h ASN 22 N 0.15 0.94 -0.38 6.23 4.21 -1.13 -1.01 115.58 124.59 3bvl h ASN 22 Ca 0.18 -0.16 0.02 0.00 1.21 0.00 0.00 56.30 57.55 3bvl h ASN 22 Cb 0.23 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.16 3bvl h ASN 22 CO -0.26 0.84 0.22 0.25 -1.29 0.00 0.00 177.43 177.19 3bvl h LEU 23 N 0.98 0.36 -0.93 1.61 5.85 -0.66 -1.65 115.31 120.87 3bvl h LEU 23 Ca 0.23 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.86 3bvl h LEU 23 Cb 0.18 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3bvl h LEU 23 CO -0.02 0.26 -0.33 1.88 -0.34 0.00 0.00 178.44 179.88 3bvl h TYR 24 N 0.45 0.42 -0.82 1.25 0.05 -0.85 -1.17 116.97 116.31 3bvl h TYR 24 Ca 0.15 -0.10 -0.03 0.00 0.05 0.00 0.00 58.73 58.80 3bvl h TYR 24 Cb 0.01 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 37.61 3bvl h TYR 24 CO -0.07 0.66 0.39 0.52 -1.05 0.00 0.00 178.16 178.62 3bvl h MET 25 N 0.32 1.19 -0.28 4.88 2.86 -0.92 0.47 114.93 123.45 3bvl h MET 25 Ca 0.04 -0.18 -0.07 0.00 -2.06 0.00 0.00 59.70 57.43 3bvl h MET 25 Cb 0.75 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 3bvl h MET 25 CO 0.06 0.92 -0.11 1.03 1.06 0.00 0.00 176.91 179.87 3bvl h SER 26 N 1.17 0.58 -0.56 1.22 0.87 -0.92 -0.74 113.55 115.18 3bvl h SER 26 Ca 0.28 -0.39 0.01 0.00 -1.23 0.00 0.00 61.79 60.46 3bvl h SER 26 Cb 0.12 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 3bvl h SER 26 CO -0.04 0.84 0.37 0.24 -0.53 0.00 0.00 176.83 177.71 3bvl h MET 27 N 0.31 0.73 -0.16 2.24 2.07 -1.14 -1.71 114.93 117.26 3bvl h MET 27 Ca 0.07 -0.04 0.03 0.00 -2.07 0.00 0.00 59.70 57.68 3bvl h MET 27 Cb 0.61 -0.16 -0.03 0.00 -1.87 0.00 0.00 31.60 30.15 3bvl h MET 27 CO 0.04 0.48 -0.01 1.03 1.07 0.00 0.00 176.91 179.51 3bvl h SER 28 N 0.75 -0.09 -0.66 1.22 0.87 -0.78 -1.95 113.55 112.91 3bvl h SER 28 Ca 0.20 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.85 3bvl h SER 28 Cb -0.08 0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 61.90 3bvl h SER 28 CO -0.05 -0.02 0.39 -1.28 -0.53 0.00 0.00 176.83 175.34 3bvl h SER 29 N 0.04 0.60 -0.37 6.23 0.87 -0.95 -0.65 113.55 119.31 3bvl h SER 29 Ca 0.08 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.71 3bvl h SER 29 Cb 0.10 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 61.90 3bvl h SER 29 CO -0.14 0.40 0.07 -0.25 -0.53 0.00 0.00 176.83 176.39 3bvl h TRP 30 N 0.74 0.12 0.07 2.24 7.01 -1.00 -0.57 115.95 124.55 3bvl h TRP 30 Ca 0.28 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.30 3bvl h TRP 30 Cb 0.11 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.17 3bvl h TRP 30 CO -0.06 0.02 -0.03 0.00 -2.79 0.00 0.00 178.44 175.57 3bvl h TYR 32 N -0.10 0.93 -0.00 0.00 0.99 -0.78 0.55 116.97 118.55 3bvl h TYR 32 Ca -0.01 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3bvl h TYR 32 Cb 0.08 -0.30 0.00 0.00 1.00 0.00 0.00 36.73 37.51 3bvl h TYR 32 CO -0.07 0.43 -0.07 0.25 -0.00 0.00 0.00 178.16 178.70 3bvl n THR 33 N -4.52 0.00 -1.43 -2.88 -2.24 -0.25 -3.38 114.28 99.57 3bvl n THR 33 Ca 0.15 -0.05 0.05 0.00 -2.27 0.00 0.00 64.05 61.92 3bvl n THR 33 Cb 0.30 -0.18 0.20 0.00 -2.10 0.00 0.00 70.33 68.55 3bvl n THR 33 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3bvl n HIS 34 N -0.95 0.24 -1.20 4.78 8.25 -0.51 -4.97 115.22 120.86 3bvl n HIS 34 Ca 0.16 -1.38 -0.07 0.00 -0.26 0.00 0.00 57.72 56.17 3bvl n HIS 34 Cb 0.25 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.06 3bvl n HIS 34 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3bvl n SER 35 N -1.16 -4.18 -3.71 0.41 7.64 -1.08 -4.95 113.62 106.59 3bvl n SER 35 Ca 0.21 0.17 -0.37 0.00 1.01 0.00 0.00 58.87 59.89 3bvl n SER 35 Cb 0.75 -2.29 -0.02 0.00 -1.01 0.00 0.00 64.21 61.64 3bvl n SER 35 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3bvl n LEU 36 N -0.78 5.52 0.25 -3.43 4.77 0.07 -4.85 117.00 118.55 3bvl n LEU 36 Ca -0.07 -5.34 0.14 0.00 -0.03 0.00 0.00 56.01 50.71 3bvl n LEU 36 Cb 0.28 -1.02 0.52 0.00 -2.33 0.00 0.00 43.42 40.88 3bvl n LEU 36 CO 0.10 1.89 0.90 -2.24 -1.33 0.00 0.00 177.39 176.71 3bvl h ASP 37 N 4.75 0.00 0.11 -1.43 2.03 -1.87 -0.10 116.42 119.91 3bvl h ASP 37 Ca 0.23 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.52 3bvl h ASP 37 Cb 0.59 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.10 3bvl h ASP 37 CO 1.13 0.07 -0.05 1.23 -1.03 0.00 0.00 179.24 180.59 3bvl h GLY 38 N 2.41 -0.15 1.17 7.15 0.00 -1.89 0.07 103.07 111.82 3bvl h GLY 38 Ca -0.00 0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.32 3bvl h GLY 38 CO 0.01 -0.06 0.12 0.00 0.00 0.00 0.00 176.54 176.62 3bvl h ALA 39 N 0.32 1.02 -0.23 3.60 0.00 -1.72 -1.26 119.26 120.98 3bvl h ALA 39 Ca -0.02 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.70 3bvl h ALA 39 Cb 0.41 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 3bvl h ALA 39 CO 0.02 0.63 -0.12 0.78 0.00 0.00 0.00 179.25 180.57 3bvl h GLY 40 N 1.04 0.07 0.86 0.00 0.00 -0.92 -0.35 103.07 103.78 3bvl h GLY 40 Ca 0.20 0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.66 3bvl h GLY 40 CO 0.01 -0.14 0.05 -2.00 0.00 0.00 0.00 176.54 174.46 3bvl h LEU 41 N -0.10 0.29 -0.33 3.11 5.85 -0.82 -1.07 115.31 122.25 3bvl h LEU 41 Ca 0.13 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.69 3bvl h LEU 41 Cb 0.28 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 3bvl h LEU 41 CO -0.29 0.43 -0.03 0.15 -0.34 0.00 0.00 178.44 178.35 3bvl h PHE 42 N 0.13 -0.08 -0.20 1.25 3.57 -1.02 -0.82 116.94 119.77 3bvl h PHE 42 Ca 0.06 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.43 3bvl h PHE 42 Cb 0.25 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 3bvl h PHE 42 CO 0.01 -0.09 -0.53 -0.07 -2.23 0.00 0.00 178.31 175.39 3bvl h LEU 43 N 0.05 0.63 0.03 0.59 3.38 -1.00 -1.23 115.31 117.76 3bvl h LEU 43 Ca 0.16 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3bvl h LEU 43 Cb 0.23 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3bvl h LEU 43 CO -0.30 1.05 -0.07 0.15 0.09 0.00 0.00 178.44 179.36 3bvl h PHE 44 N 0.44 -0.17 -0.50 1.13 3.57 -0.95 0.34 116.94 120.80 3bvl h PHE 44 Ca 0.01 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.46 3bvl h PHE 44 Cb 1.08 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 3bvl h PHE 44 CO 0.05 -0.10 0.11 -0.44 -2.23 0.00 0.00 178.31 175.69 3bvl h ASP 45 N -0.13 0.72 -0.36 0.41 3.32 -1.02 -1.65 116.42 117.71 3bvl h ASP 45 Ca 0.02 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 3bvl h ASP 45 Cb 0.15 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3bvl h ASP 45 CO -0.05 0.72 0.07 -0.74 -1.72 0.00 0.00 179.24 177.53 3bvl h HIS 46 N 0.74 0.63 -0.56 4.55 2.76 -1.10 -1.93 115.15 120.25 3bvl h HIS 46 Ca 0.16 -0.08 0.09 0.00 -2.20 0.00 0.00 60.37 58.34 3bvl h HIS 46 Cb 0.30 -0.17 -0.07 0.00 1.55 0.00 0.00 27.41 29.02 3bvl h HIS 46 CO 0.02 0.63 0.17 0.00 -1.30 0.00 0.00 177.93 177.45 3bvl h ALA 47 N 0.92 0.68 -0.97 5.26 0.00 -0.50 -1.43 119.26 123.23 3bvl h ALA 47 Ca 0.11 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3bvl h ALA 47 Cb 0.33 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3bvl h ALA 47 CO 0.00 -0.24 0.64 0.00 0.00 0.00 0.00 179.25 179.65 3bvl h ALA 48 N 1.40 1.31 -0.26 0.00 0.00 -1.15 -2.30 119.26 118.26 3bvl h ALA 48 Ca 0.28 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3bvl h ALA 48 Cb 0.35 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3bvl h ALA 48 CO -0.31 0.64 -0.14 1.49 0.00 0.00 0.00 179.25 180.93 3bvl h GLU 49 N 1.31 0.44 -0.69 0.00 4.57 -0.51 -2.01 114.58 117.68 3bvl h GLU 49 Ca 0.35 -0.12 -0.03 0.00 -1.18 0.00 0.00 59.36 58.38 3bvl h GLU 49 Cb -0.15 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.37 3bvl h GLU 49 CO -0.08 0.57 0.31 0.93 -1.18 0.00 0.00 179.01 179.56 3bvl h GLU 50 N 0.40 1.01 -0.80 1.92 4.39 -0.75 -1.44 114.58 119.33 3bvl h GLU 50 Ca 0.07 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 3bvl h GLU 50 Cb 0.49 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 3bvl h GLU 50 CO 0.03 0.82 0.37 -0.92 -1.16 0.00 0.00 179.01 178.15 3bvl h TYR 51 N 0.97 1.16 -0.92 4.33 3.20 -1.13 -1.77 116.97 122.81 3bvl h TYR 51 Ca 0.23 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 62.07 3bvl h TYR 51 Cb 0.16 -0.36 -0.05 0.00 1.54 0.00 0.00 36.73 38.02 3bvl h TYR 51 CO 0.01 0.84 0.61 0.93 -1.64 0.00 0.00 178.16 178.91 3bvl h GLU 52 N 1.14 1.16 -0.41 1.82 4.39 -0.93 -0.55 114.58 121.19 3bvl h GLU 52 Ca 0.27 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 3bvl h GLU 52 Cb 0.13 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 3bvl h GLU 52 CO -0.03 0.77 0.22 0.45 -1.16 0.00 0.00 179.01 179.25 3bvl h HIS 53 N 1.19 0.57 -0.68 4.33 3.86 -0.68 -1.51 115.15 122.24 3bvl h HIS 53 Ca 0.36 -0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.61 3bvl h HIS 53 Cb -0.05 -0.18 -0.06 0.00 1.06 0.00 0.00 27.41 28.18 3bvl h HIS 53 CO -0.00 0.45 0.38 0.00 0.86 0.00 0.00 177.93 179.62 3bvl h ALA 54 N 1.07 0.91 -0.80 2.45 0.00 -0.77 -1.57 119.26 120.55 3bvl h ALA 54 Ca 0.14 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3bvl h ALA 54 Cb 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3bvl h ALA 54 CO -0.02 0.05 0.35 0.87 0.00 0.00 0.00 179.25 180.49 3bvl h LYS 55 N 0.69 1.18 -0.52 0.00 1.57 -0.81 -1.00 116.57 117.68 3bvl h LYS 55 Ca 0.31 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.79 3bvl h LYS 55 Cb 0.20 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3bvl h LYS 55 CO -0.19 0.93 -0.06 0.87 -0.57 0.00 0.00 179.45 180.43 3bvl h LYS 56 N 1.15 0.94 -0.57 3.15 1.57 -0.79 -0.74 116.57 121.28 3bvl h LYS 56 Ca 0.27 -0.31 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3bvl h LYS 56 Cb 0.18 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3bvl h LYS 56 CO -0.03 0.97 0.17 -0.07 -0.57 0.00 0.00 179.45 179.92 3bvl h LEU 57 N 0.85 0.84 -0.43 2.94 3.38 -1.02 -2.49 115.31 119.37 3bvl h LEU 57 Ca 0.14 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3bvl h LEU 57 Cb 0.59 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3bvl h LEU 57 CO 0.04 0.83 0.28 0.40 0.09 0.00 0.00 178.44 180.08 3bvl h ILE 58 N 0.81 1.10 -0.68 1.22 2.04 -0.88 -1.26 117.51 119.86 3bvl h ILE 58 Ca 0.18 -0.20 0.10 0.00 1.00 0.00 0.00 64.86 65.95 3bvl h ILE 58 Cb 0.30 0.47 -0.08 0.00 -0.74 0.00 0.00 36.82 36.78 3bvl h ILE 58 CO -0.00 0.10 0.30 0.40 0.00 0.00 0.00 178.15 178.95 3bvl h ILE 59 N 0.57 0.79 -0.43 -0.67 2.04 -0.98 0.10 117.51 118.93 3bvl h ILE 59 Ca 0.16 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 3bvl h ILE 59 Cb -0.05 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 3bvl h ILE 59 CO -0.04 0.09 0.15 0.15 0.00 0.00 0.00 178.15 178.50 3bvl h PHE 60 N 0.50 0.67 -0.14 1.37 3.57 -0.98 -1.34 116.94 120.59 3bvl h PHE 60 Ca 0.34 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.81 3bvl h PHE 60 Cb 0.42 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3bvl h PHE 60 CO -0.14 0.60 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.47 3bvl h LEU 61 N 0.54 -0.05 -0.58 0.59 3.38 -0.53 -2.61 115.31 116.05 3bvl h LEU 61 Ca 0.14 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.22 3bvl h LEU 61 Cb 0.23 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 3bvl h LEU 61 CO -0.01 -0.01 0.24 0.78 0.09 0.00 0.00 178.44 179.54 3bvl h ASN 62 N 0.05 0.28 0.58 -0.43 2.35 -0.62 -0.82 115.58 116.97 3bvl h ASN 62 Ca 0.06 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 3bvl h ASN 62 Cb 0.08 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3bvl h ASN 62 CO -0.11 0.18 -0.20 1.05 -1.65 0.00 0.00 177.43 176.70 3bvl h GLU 63 N 0.44 0.00 -0.53 0.81 4.11 -1.07 -2.11 114.58 116.23 3bvl h GLU 63 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.71 3bvl h GLU 63 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3bvl h GLU 63 CO -0.26 0.20 0.00 0.09 0.07 0.00 0.00 179.01 179.11 3bvl n ASN 64 N -3.59 2.90 -3.53 3.06 3.02 -0.86 -4.94 115.26 111.32 3bvl n ASN 64 Ca -0.01 -2.11 -0.26 0.00 -0.03 0.00 0.00 54.58 52.17 3bvl n ASN 64 Cb 0.34 -0.38 0.03 0.00 -0.61 0.00 0.00 39.78 39.15 3bvl n ASN 64 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3bvl n ASN 65 N 0.84 -5.19 -4.49 6.41 4.13 -0.79 -0.72 115.26 115.45 3bvl n ASN 65 Ca 0.17 -0.54 -0.37 0.00 1.68 0.00 0.00 54.58 55.52 3bvl n ASN 65 Cb 0.50 -4.16 -0.12 0.00 -1.54 0.00 0.00 39.78 34.45 3bvl n ASN 65 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3bvl s VAL 66 N -3.19 4.65 0.23 2.41 1.01 -0.37 -3.57 120.40 121.57 3bvl s VAL 66 Ca 0.51 -0.06 -0.32 0.00 0.00 0.00 0.00 61.98 62.11 3bvl s VAL 66 Cb -0.25 -3.19 -0.12 0.00 0.00 0.00 0.00 36.38 32.82 3bvl s VAL 66 CO 0.63 0.30 1.62 -2.65 0.00 0.00 0.00 175.10 175.00 3bvl n PRO 67 N 4.97 2.56 -2.85 2.72 -0.02 -1.26 -4.21 135.00 136.91 3bvl n PRO 67 Ca -0.15 0.92 -0.41 0.00 -2.02 0.00 0.00 63.50 61.83 3bvl n PRO 67 Cb 0.52 -2.71 -0.04 0.00 -0.02 0.00 0.00 33.50 31.25 3bvl n PRO 67 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3bvl s VAL 68 N 0.56 4.92 -0.45 -1.45 1.01 -1.26 -5.02 120.40 118.71 3bvl s VAL 68 Ca 0.71 1.80 0.00 0.00 0.00 0.00 0.00 61.98 64.49 3bvl s VAL 68 Cb -0.55 -4.20 0.12 0.00 0.00 0.00 0.00 36.38 31.75 3bvl s VAL 68 CO 0.41 0.21 0.22 -1.10 0.00 0.00 0.00 175.10 174.83 3bvl s GLN 69 N 0.85 1.96 -0.09 2.72 -0.21 -1.26 -5.08 119.66 118.55 3bvl s GLN 69 Ca 0.46 -2.10 -0.21 0.00 0.02 0.00 0.00 55.36 53.53 3bvl s GLN 69 Cb -0.20 -3.47 -0.04 0.00 1.00 0.00 0.00 33.01 30.30 3bvl s GLN 69 CO 0.24 -1.06 0.61 -0.51 -2.12 0.00 0.00 175.29 172.45 3bvl s LEU 70 N 0.63 4.30 0.48 2.90 1.43 -1.26 -4.86 118.68 122.30 3bvl s LEU 70 Ca 0.12 1.04 0.08 0.00 -1.03 0.00 0.00 54.13 54.34 3bvl s LEU 70 Cb -0.22 -2.92 0.04 0.00 0.03 0.00 0.00 46.19 43.11 3bvl s LEU 70 CO -0.04 -0.07 0.62 0.42 0.23 0.00 0.00 176.35 177.51 3bvl s THR 71 N 0.73 2.59 0.46 5.49 -4.23 -1.26 -5.08 115.64 114.34 3bvl s THR 71 Ca 0.33 -1.06 -0.25 0.00 -1.18 0.00 0.00 61.69 59.53 3bvl s THR 71 Cb -0.17 -2.65 -0.08 0.00 1.34 0.00 0.00 72.50 70.95 3bvl s THR 71 CO 0.15 0.00 1.37 -0.44 -0.54 0.00 0.00 174.62 175.16 3bvl s SER 72 N -4.44 5.86 -0.24 3.99 0.01 -1.26 -5.01 113.70 112.61 3bvl s SER 72 Ca 0.56 2.80 -0.06 0.00 1.31 0.00 0.00 55.95 60.56 3bvl s SER 72 Cb -0.07 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.49 3bvl s SER 72 CO 0.34 -1.17 0.03 -0.63 0.41 0.00 0.00 173.24 172.22 3bvl s ILE 73 N -1.25 3.97 0.55 1.44 1.01 -1.26 -5.09 121.20 120.57 3bvl s ILE 73 Ca 0.62 -0.31 -0.20 0.00 0.00 0.00 0.00 60.65 60.76 3bvl s ILE 73 Cb -0.41 -2.86 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 3bvl s ILE 73 CO 0.52 0.35 1.19 -0.44 0.00 0.00 0.00 174.94 176.56 3bvl s SER 74 N 1.56 5.53 0.16 3.58 0.01 -1.26 -4.94 113.70 118.34 3bvl s SER 74 Ca 0.06 2.35 -0.32 0.00 1.31 0.00 0.00 55.95 59.36 3bvl s SER 74 Cb -0.15 -2.60 -0.11 0.00 0.21 0.00 0.00 66.02 63.37 3bvl s SER 74 CO 0.01 -1.36 1.78 0.00 0.41 0.00 0.00 173.24 174.09 3bvl n ALA 75 N -1.23 2.40 -1.49 1.44 0.00 -1.26 -4.96 120.51 115.40 3bvl n ALA 75 Ca 0.12 0.35 -0.32 0.00 0.00 0.00 0.00 53.44 53.59 3bvl n ALA 75 Cb 0.49 -2.55 0.05 0.00 0.00 0.00 0.00 19.45 17.44 3bvl n ALA 75 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3bvl s PRO 76 N 2.05 2.81 0.28 0.00 0.04 -1.26 -4.98 135.00 133.93 3bvl s PRO 76 Ca 0.79 1.23 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 3bvl s PRO 76 Cb -0.50 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 31.94 3bvl s PRO 76 CO 0.35 -1.22 1.13 0.39 0.04 0.00 0.00 177.00 177.69 3bvl n GLU 77 N -2.71 1.57 0.00 4.56 1.02 -1.26 -4.91 120.64 118.92 3bvl n GLU 77 Ca 0.09 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.78 3bvl n GLU 77 Cb 0.53 -2.01 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 3bvl n GLU 77 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 3bvl n HIS 78 N 0.59 0.00 -3.91 -0.32 1.44 -1.26 -4.66 115.22 107.09 3bvl n HIS 78 Ca 0.09 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.46 3bvl n HIS 78 Cb 0.32 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.33 3bvl n HIS 78 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3bvl s LYS 79 N -1.16 4.02 0.07 -1.40 1.02 -1.26 -4.87 119.74 116.16 3bvl s LYS 79 Ca 0.00 -0.31 0.02 0.00 0.02 0.00 0.00 55.97 55.70 3bvl s LYS 79 Cb 0.00 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.98 3bvl s LYS 79 CO 0.00 0.24 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.54 3bvl s PHE 80 N 0.47 0.82 0.06 3.18 0.40 -1.26 -5.06 117.98 116.58 3bvl s PHE 80 Ca 0.05 -0.71 0.03 0.00 -0.60 0.00 0.00 56.93 55.70 3bvl s PHE 80 Cb -0.12 -0.48 -0.24 0.00 0.51 0.00 0.00 43.02 42.69 3bvl s PHE 80 CO 0.00 -0.11 1.05 0.93 0.70 0.00 0.00 175.22 177.79 3bvl h GLU 81 N 3.68 0.11 0.00 0.44 5.08 -1.98 -3.50 114.58 118.40 3bvl h GLU 81 Ca -0.36 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 3bvl h GLU 81 Cb 1.18 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3bvl h GLU 81 CO 0.53 0.98 0.00 0.41 -1.00 0.00 0.00 179.01 179.94 3bvl n GLY 82 N 1.49 -1.80 0.21 -3.84 0.00 -1.26 -4.99 105.19 95.00 3bvl n GLY 82 Ca -0.08 -1.12 -0.07 0.00 0.00 0.00 0.00 46.02 44.75 3bvl n GLY 82 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3bvl h LEU 83 N 0.00 0.55 -0.04 0.99 5.85 -1.99 -1.43 115.31 119.24 3bvl h LEU 83 Ca 0.00 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3bvl h LEU 83 Cb 0.00 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3bvl h LEU 83 CO 0.00 0.40 -0.01 0.74 -0.34 0.00 0.00 178.44 179.23 3bvl h THR 84 N 0.66 0.96 -0.90 1.05 2.02 -1.97 -1.75 112.91 112.98 3bvl h THR 84 Ca 0.19 -0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.39 3bvl h THR 84 Cb -0.06 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 67.26 3bvl h THR 84 CO -0.05 0.00 0.59 -0.61 0.37 0.00 0.00 175.52 175.82 3bvl h GLN 85 N 0.00 1.13 -0.26 6.66 4.15 -1.90 0.10 115.11 125.00 3bvl h GLN 85 Ca 0.02 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3bvl h GLN 85 Cb 0.03 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.45 3bvl h GLN 85 CO -0.04 0.75 0.17 0.82 -1.93 0.00 0.00 178.83 178.60 3bvl h ILE 86 N 1.16 1.07 0.00 2.39 2.04 -1.02 -0.43 117.51 122.71 3bvl h ILE 86 Ca 0.35 -0.12 -0.12 0.00 1.00 0.00 0.00 64.86 65.96 3bvl h ILE 86 Cb -0.04 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3bvl h ILE 86 CO -0.10 0.06 -0.59 -0.26 0.00 0.00 0.00 178.15 177.26 3bvl h PHE 87 N 0.35 0.00 -0.12 1.37 0.04 -0.80 0.67 116.94 118.46 3bvl h PHE 87 Ca 0.10 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 3bvl h PHE 87 Cb -0.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 3bvl h PHE 87 CO -0.06 0.59 0.07 0.37 -0.60 0.00 0.00 178.31 178.68 3bvl h GLN 88 N 0.00 0.17 -0.63 1.51 5.75 -0.65 -0.33 115.11 120.93 3bvl h GLN 88 Ca -0.01 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3bvl h GLN 88 Cb 1.13 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.61 3bvl h GLN 88 CO 0.08 0.18 0.34 0.87 -2.65 0.00 0.00 178.83 177.65 3bvl h LYS 89 N 0.11 0.87 -0.42 1.69 1.57 -0.86 -2.04 116.57 117.49 3bvl h LYS 89 Ca 0.04 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 3bvl h LYS 89 Cb 0.06 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3bvl h LYS 89 CO -0.01 0.67 0.13 0.00 -0.57 0.00 0.00 179.45 179.67 3bvl h ALA 90 N 1.16 0.56 -0.37 3.86 0.00 -0.76 -0.10 119.26 123.60 3bvl h ALA 90 Ca 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3bvl h ALA 90 Cb 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3bvl h ALA 90 CO -0.03 0.21 0.16 -0.92 0.00 0.00 0.00 179.25 178.67 3bvl h TYR 91 N 0.54 0.55 -1.00 0.00 3.20 -0.94 0.44 116.97 119.76 3bvl h TYR 91 Ca 0.14 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.02 3bvl h TYR 91 Cb 0.27 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.31 3bvl h TYR 91 CO 0.01 0.49 0.65 0.93 -1.64 0.00 0.00 178.16 178.60 3bvl h GLU 92 N 0.46 1.19 -0.44 1.82 5.08 -1.24 -0.27 114.58 121.18 3bvl h GLU 92 Ca 0.13 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3bvl h GLU 92 Cb 0.15 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3bvl h GLU 92 CO -0.01 0.79 0.22 1.25 -1.00 0.00 0.00 179.01 180.25 3bvl h HIS 93 N 1.23 0.64 -0.70 4.33 2.76 -0.49 -1.96 115.15 120.97 3bvl h HIS 93 Ca 0.41 -0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.51 3bvl h HIS 93 Cb 0.07 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 28.80 3bvl h HIS 93 CO -0.00 0.52 0.25 0.93 -1.30 0.00 0.00 177.93 178.32 3bvl h GLU 94 N 0.58 1.05 -0.65 5.26 4.39 -0.29 -0.66 114.58 124.26 3bvl h GLU 94 Ca 0.15 -0.20 0.05 0.00 0.34 0.00 0.00 59.36 59.70 3bvl h GLU 94 Cb 0.11 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 3bvl h GLU 94 CO -0.02 0.88 0.37 1.96 -1.16 0.00 0.00 179.01 181.04 3bvl h GLN 95 N 1.02 0.68 -0.57 2.33 4.20 -0.83 -0.78 115.11 121.16 3bvl h GLN 95 Ca 0.23 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.83 3bvl h GLN 95 Cb 0.25 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3bvl h GLN 95 CO -0.01 0.45 0.08 0.45 -0.67 0.00 0.00 178.83 179.13 3bvl h HIS 96 N 0.70 1.02 -0.42 2.96 3.86 -0.62 -1.83 115.15 120.82 3bvl h HIS 96 Ca 0.28 -0.15 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 3bvl h HIS 96 Cb 0.13 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 3bvl h HIS 96 CO -0.07 0.89 0.26 0.82 0.86 0.00 0.00 177.93 180.69 3bvl h ILE 97 N 0.85 1.13 -0.54 2.45 1.08 -0.80 -1.05 117.51 120.64 3bvl h ILE 97 Ca 0.17 -0.30 0.07 0.00 -0.39 0.00 0.00 64.86 64.41 3bvl h ILE 97 Cb 0.43 0.57 -0.06 0.00 -3.07 0.00 0.00 36.82 34.69 3bvl h ILE 97 CO 0.01 0.13 0.21 0.28 -0.69 0.00 0.00 178.15 178.10 3bvl h SER 98 N 0.56 0.23 -0.74 1.72 0.02 -0.95 -1.47 113.55 112.93 3bvl h SER 98 Ca 0.15 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 3bvl h SER 98 Cb -0.01 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 3bvl h SER 98 CO -0.03 0.16 0.48 -0.08 -1.14 0.00 0.00 176.83 176.22 3bvl h GLU 99 N 0.40 0.93 -0.72 3.45 4.81 -1.02 -1.18 114.58 121.24 3bvl h GLU 99 Ca 0.26 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3bvl h GLU 99 Cb 0.27 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 3bvl h GLU 99 CO -0.25 0.62 0.34 0.66 -0.73 0.00 0.00 179.01 179.65 3bvl h SER 100 N 0.96 0.94 -0.16 1.04 4.64 -0.53 -1.18 113.55 119.25 3bvl h SER 100 Ca 0.28 -0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 61.45 3bvl h SER 100 Cb -0.05 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 61.80 3bvl h SER 100 CO -0.08 0.80 -0.10 0.40 -0.87 0.00 0.00 176.83 176.98 3bvl h ILE 101 N 1.03 1.32 -0.92 0.95 2.04 -0.95 -2.77 117.51 118.21 3bvl h ILE 101 Ca 0.25 -1.18 0.17 0.00 1.00 0.00 0.00 64.86 65.11 3bvl h ILE 101 Cb 0.11 1.76 -0.10 0.00 -0.74 0.00 0.00 36.82 37.85 3bvl h ILE 101 CO -0.03 0.35 0.50 0.78 0.00 0.00 0.00 178.15 179.75 3bvl h ASN 102 N 0.00 0.61 -0.54 1.72 2.35 -1.00 -1.08 115.58 117.65 3bvl h ASN 102 Ca 0.03 0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 3bvl h ASN 102 Cb 0.59 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 3bvl h ASN 102 CO 0.03 0.22 0.27 -1.13 -1.65 0.00 0.00 177.43 175.16 3bvl h ASN 103 N 0.65 0.70 -0.18 5.81 -0.00 -1.12 -0.64 115.58 120.79 3bvl h ASN 103 Ca 0.52 -0.12 -0.04 0.00 -0.00 0.00 0.00 56.30 56.67 3bvl h ASN 103 Cb 0.80 -0.18 -0.01 0.00 -0.00 0.00 0.00 38.32 38.94 3bvl h ASN 103 CO -0.39 0.62 -0.03 0.40 -0.00 0.00 0.00 177.43 178.03 3bvl h ILE 104 N 0.72 1.28 -0.81 2.57 2.04 -1.07 -1.57 117.51 120.67 3bvl h ILE 104 Ca 0.19 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 3bvl h ILE 104 Cb 0.10 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 3bvl h ILE 104 CO -0.03 0.29 0.48 0.58 0.00 0.00 0.00 178.15 179.47 3bvl h VAL 105 N 0.07 1.23 -0.56 1.67 2.07 -1.16 0.87 116.25 120.44 3bvl h VAL 105 Ca 0.05 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3bvl h VAL 105 Cb 0.45 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 3bvl h VAL 105 CO 0.02 0.24 0.29 -0.78 0.02 0.00 0.00 177.57 177.36 3bvl h ASP 106 N 1.11 0.71 -0.67 0.57 3.58 -1.05 -1.59 116.42 119.08 3bvl h ASP 106 Ca 0.29 -0.11 -0.05 0.00 0.42 0.00 0.00 57.03 57.58 3bvl h ASP 106 Cb -0.03 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 3bvl h ASP 106 CO -0.05 0.62 0.24 -0.74 -2.88 0.00 0.00 179.24 176.42 3bvl h HIS 107 N 0.76 1.07 -0.50 0.28 2.76 -0.44 -1.35 115.15 117.73 3bvl h HIS 107 Ca 0.20 -0.09 0.02 0.00 -2.20 0.00 0.00 60.37 58.30 3bvl h HIS 107 Cb 0.07 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 28.68 3bvl h HIS 107 CO -0.01 0.84 0.30 0.00 -1.30 0.00 0.00 177.93 177.76 3bvl h ALA 108 N 1.24 0.64 0.09 5.26 0.00 -0.51 -0.85 119.26 125.12 3bvl h ALA 108 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3bvl h ALA 108 Cb 0.26 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3bvl h ALA 108 CO -0.01 0.01 -0.06 0.82 0.00 0.00 0.00 179.25 180.00 3bvl h ILE 109 N 0.60 0.86 -0.19 0.00 2.04 -0.89 0.67 117.51 120.60 3bvl h ILE 109 Ca 0.20 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 3bvl h ILE 109 Cb 0.01 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3bvl h ILE 109 CO -0.08 0.00 0.06 0.11 0.00 0.00 0.00 178.15 178.23 3bvl h LYS 110 N -0.16 0.27 -0.01 2.37 1.79 -1.05 -1.56 116.57 118.22 3bvl h LYS 110 Ca -0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3bvl h LYS 110 Cb 0.14 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 3bvl h LYS 110 CO -0.00 0.24 -0.16 0.43 -1.08 0.00 0.00 179.45 178.88 3bvl n SER 111 N -4.43 1.16 -2.78 0.86 7.64 -0.34 -4.95 113.62 110.78 3bvl n SER 111 Ca -0.00 -1.09 -0.21 0.00 1.01 0.00 0.00 58.87 58.58 3bvl n SER 111 Cb 0.13 0.08 0.03 0.00 -1.01 0.00 0.00 64.21 63.44 3bvl n SER 111 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3bvl n LYS 112 N -0.37 -4.11 -3.22 1.43 5.02 -0.56 -4.95 118.16 111.39 3bvl n LYS 112 Ca 0.15 0.90 -0.45 0.00 -2.02 0.00 0.00 58.31 56.88 3bvl n LYS 112 Cb 0.35 -5.65 -0.01 0.00 -0.02 0.00 0.00 35.03 29.69 3bvl n LYS 112 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3bvl s ASP 113 N -2.59 7.05 0.19 4.39 -1.08 0.12 -4.84 116.67 119.91 3bvl s ASP 113 Ca 0.23 -3.07 0.24 0.00 -0.52 0.00 0.00 52.55 49.43 3bvl s ASP 113 Cb -0.10 -2.27 0.43 0.00 -1.46 0.00 0.00 42.92 39.52 3bvl s ASP 113 CO 0.29 -0.53 1.45 0.45 0.52 0.00 0.00 175.17 177.34 3bvl h HIS 114 N 7.29 0.00 -0.22 -5.34 3.86 -1.93 -1.84 115.15 116.97 3bvl h HIS 114 Ca 0.18 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.41 3bvl h HIS 114 Cb 0.94 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.39 3bvl h HIS 114 CO 0.94 0.00 0.11 0.00 0.86 0.00 0.00 177.93 179.84 3bvl h ALA 115 N 2.38 0.26 -0.25 2.45 0.00 -1.97 0.39 119.26 122.52 3bvl h ALA 115 Ca 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3bvl h ALA 115 Cb 0.81 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3bvl h ALA 115 CO 0.00 -0.30 -0.28 1.15 0.00 0.00 0.00 179.25 179.81 3bvl h THR 116 N 0.23 1.31 -0.23 0.00 2.02 -1.94 -0.94 112.91 113.36 3bvl h THR 116 Ca 0.09 -1.46 0.06 0.00 0.77 0.00 0.00 66.41 65.87 3bvl h THR 116 Cb 0.02 1.67 -0.06 0.00 -1.74 0.00 0.00 68.15 68.05 3bvl h THR 116 CO -0.06 0.46 -0.16 0.15 0.37 0.00 0.00 175.52 176.27 3bvl h PHE 117 N 0.35 -0.42 -0.58 3.16 3.57 -1.29 -1.73 116.94 120.01 3bvl h PHE 117 Ca 0.04 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 3bvl h PHE 117 Cb 0.85 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.78 3bvl h PHE 117 CO 0.08 -0.24 0.27 -0.97 -2.23 0.00 0.00 178.31 175.22 3bvl h ASN 118 N -0.16 0.76 -0.92 0.41 -0.73 -0.88 -2.85 115.58 111.21 3bvl h ASN 118 Ca 0.13 -0.13 0.03 0.00 1.87 0.00 0.00 56.30 58.20 3bvl h ASN 118 Cb 0.36 -0.20 -0.05 0.00 0.27 0.00 0.00 38.32 38.70 3bvl h ASN 118 CO -0.33 0.68 0.61 0.15 -0.37 0.00 0.00 177.43 178.17 3bvl h PHE 119 N 0.79 1.13 0.00 0.67 3.04 -0.85 -2.96 116.94 118.75 3bvl h PHE 119 Ca 0.20 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.18 3bvl h PHE 119 Cb 0.13 -0.38 0.00 0.00 2.56 0.00 0.00 35.95 38.26 3bvl h PHE 119 CO -0.00 0.66 0.00 1.28 -2.02 0.00 0.00 178.31 178.23 3bvl n LEU 120 N -4.44 0.00 -0.12 0.59 4.77 -0.68 -4.00 117.00 113.12 3bvl n LEU 120 Ca 0.12 0.23 -0.05 0.00 -0.03 0.00 0.00 56.01 56.28 3bvl n LEU 120 Cb 0.09 -0.23 0.15 0.00 -2.33 0.00 0.00 43.42 41.10 3bvl n LEU 120 CO 0.35 -0.03 0.88 1.56 -1.33 0.00 0.00 177.39 178.82 3bvl h GLN 121 N 0.00 0.82 -0.44 3.23 1.08 -1.57 0.31 115.11 118.56 3bvl h GLN 121 Ca 0.00 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 3bvl h GLN 121 Cb 0.19 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 3bvl h GLN 121 CO 0.00 0.82 0.29 0.11 -0.95 0.00 0.00 178.83 179.10 3bvl h TRP 122 N 0.77 0.55 0.04 2.96 5.08 -1.82 -1.64 115.95 121.88 3bvl h TRP 122 Ca 0.15 0.01 -0.22 0.00 1.08 0.00 0.00 58.89 59.91 3bvl h TRP 122 Cb 0.45 -0.19 0.02 0.00 -3.00 0.00 0.00 29.16 26.44 3bvl h TRP 122 CO 0.02 0.34 -0.89 -0.92 -1.28 0.00 0.00 178.44 175.72 3bvl h TYR 123 N 0.59 0.82 -0.19 0.12 3.20 -1.42 -0.51 116.97 119.59 3bvl h TYR 123 Ca 0.16 -0.47 0.03 0.00 3.14 0.00 0.00 58.73 61.59 3bvl h TYR 123 Cb -0.07 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.09 3bvl h TYR 123 CO -0.00 1.31 0.01 0.28 -1.64 0.00 0.00 178.16 178.12 3bvl h VAL 124 N 0.10 0.88 -0.12 1.81 2.07 -0.86 -0.92 116.25 119.21 3bvl h VAL 124 Ca -0.12 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3bvl h VAL 124 Cb 1.58 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 3bvl h VAL 124 CO 0.17 0.01 0.05 0.00 0.02 0.00 0.00 177.57 177.83 3bvl h ALA 125 N 1.15 0.16 -0.53 1.67 0.00 -1.22 -1.29 119.26 119.20 3bvl h ALA 125 Ca 0.09 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3bvl h ALA 125 Cb 0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3bvl h ALA 125 CO -0.14 -0.26 -0.00 0.93 0.00 0.00 0.00 179.25 179.78 3bvl h GLU 126 N 0.04 0.89 -0.47 0.00 5.08 -1.05 -2.14 114.58 116.94 3bvl h GLU 126 Ca 0.04 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.02 3bvl h GLU 126 Cb 0.17 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3bvl h GLU 126 CO -0.00 0.89 -0.18 0.37 -1.00 0.00 0.00 179.01 179.08 3bvl h GLN 127 N 0.83 0.93 -0.42 2.33 5.75 -1.06 -1.53 115.11 121.94 3bvl h GLN 127 Ca 0.15 -0.37 0.03 0.00 -0.15 0.00 0.00 58.65 58.31 3bvl h GLN 127 Cb 0.50 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 3bvl h GLN 127 CO 0.02 1.03 0.23 1.25 -2.65 0.00 0.00 178.83 178.71 3bvl h HIS 128 N 0.81 0.42 -0.87 3.99 2.76 -1.01 0.66 115.15 121.92 3bvl h HIS 128 Ca 0.11 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 3bvl h HIS 128 Cb 0.74 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.53 3bvl h HIS 128 CO 0.05 0.23 0.52 1.49 -1.30 0.00 0.00 177.93 178.91 3bvl h GLU 129 N 0.46 1.18 -0.26 5.26 4.22 -1.12 -1.13 114.58 123.18 3bvl h GLU 129 Ca 0.17 -0.11 -0.04 0.00 0.08 0.00 0.00 59.36 59.47 3bvl h GLU 129 Cb 0.05 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3bvl h GLU 129 CO -0.10 0.83 0.01 0.93 -2.18 0.00 0.00 179.01 178.49 3bvl h GLU 130 N 1.20 0.45 -0.54 1.92 5.08 -0.80 -1.06 114.58 120.83 3bvl h GLU 130 Ca 0.31 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3bvl h GLU 130 Cb -0.05 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3bvl h GLU 130 CO -0.06 0.61 0.34 1.49 -1.00 0.00 0.00 179.01 180.39 3bvl h GLU 131 N 0.24 0.66 -0.71 2.33 4.81 -0.55 -1.53 114.58 119.83 3bvl h GLU 131 Ca 0.08 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 3bvl h GLU 131 Cb 0.40 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 3bvl h GLU 131 CO 0.01 0.43 0.38 0.28 -0.73 0.00 0.00 179.01 179.38 3bvl h VAL 132 N 0.68 1.22 -0.40 0.32 2.07 -1.16 -1.53 116.25 117.46 3bvl h VAL 132 Ca 0.21 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 67.17 3bvl h VAL 132 Cb -0.02 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 3bvl h VAL 132 CO -0.08 0.25 0.24 0.25 0.02 0.00 0.00 177.57 178.25 3bvl h LEU 133 N 0.98 0.40 -0.78 2.57 5.85 -0.80 -0.05 115.31 123.47 3bvl h LEU 133 Ca 0.25 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.85 3bvl h LEU 133 Cb 0.06 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3bvl h LEU 133 CO -0.04 0.29 -0.29 -0.26 -0.34 0.00 0.00 178.44 177.80 3bvl h PHE 134 N 0.49 0.67 -0.37 1.25 -1.00 -1.09 -0.54 116.94 116.35 3bvl h PHE 134 Ca 0.15 -0.16 0.04 0.00 2.81 0.00 0.00 57.97 60.81 3bvl h PHE 134 Cb -0.01 -0.16 -0.04 0.00 3.61 0.00 0.00 35.95 39.35 3bvl h PHE 134 CO -0.07 0.82 0.14 -0.22 -1.61 0.00 0.00 178.31 177.37 3bvl h LYS 135 N 0.50 0.29 -0.51 1.51 3.11 -1.00 -1.07 116.57 119.40 3bvl h LYS 135 Ca 0.06 -0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.83 3bvl h LYS 135 Cb 0.76 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.91 3bvl h LYS 135 CO 0.06 0.19 0.09 -0.44 -2.81 0.00 0.00 179.45 176.54 3bvl h ASP 136 N 0.30 0.81 -0.28 4.20 3.32 -0.54 -0.66 116.42 123.56 3bvl h ASP 136 Ca 0.17 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 3bvl h ASP 136 Cb 0.13 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3bvl h ASP 136 CO -0.16 0.86 0.06 0.40 -1.72 0.00 0.00 179.24 178.68 3bvl h ILE 137 N 0.73 1.23 -0.44 0.35 2.04 -1.02 -1.29 117.51 119.10 3bvl h ILE 137 Ca 0.16 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.28 3bvl h ILE 137 Cb 0.39 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3bvl h ILE 137 CO 0.01 0.25 0.24 0.25 0.00 0.00 0.00 178.15 178.90 3bvl h LEU 138 N 0.29 0.38 -0.70 1.44 5.85 -1.11 0.63 115.31 122.08 3bvl h LEU 138 Ca 0.09 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.94 3bvl h LEU 138 Cb 0.32 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.20 3bvl h LEU 138 CO 0.00 0.27 0.29 0.44 -0.34 0.00 0.00 178.44 179.10 3bvl h ASP 139 N 0.49 0.30 -0.26 1.25 3.45 -0.97 -1.43 116.42 119.26 3bvl h ASP 139 Ca 0.18 0.09 -0.13 0.00 0.43 0.00 0.00 57.03 57.60 3bvl h ASP 139 Cb 0.05 0.05 -0.00 0.00 -0.56 0.00 0.00 39.33 38.87 3bvl h ASP 139 CO -0.10 0.15 -0.36 0.50 -1.57 0.00 0.00 179.24 177.86 3bvl h LYS 140 N 0.47 0.70 -0.74 3.56 1.63 -0.44 -0.66 116.57 121.10 3bvl h LYS 140 Ca 0.37 -0.41 0.02 0.00 -0.85 0.00 0.00 60.65 59.78 3bvl h LYS 140 Cb 0.49 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.11 3bvl h LYS 140 CO -0.34 1.03 0.48 0.82 -3.45 0.00 0.00 179.45 177.98 3bvl h ILE 141 N 0.43 1.15 -0.07 2.00 2.04 -0.67 -1.00 117.51 121.39 3bvl h ILE 141 Ca 0.03 -0.33 -0.15 0.00 1.00 0.00 0.00 64.86 65.41 3bvl h ILE 141 Cb 0.95 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3bvl h ILE 141 CO 0.08 0.18 -0.61 -0.33 0.00 0.00 0.00 178.15 177.47 3bvl h GLU 142 N 0.96 0.24 -0.57 2.37 5.08 -1.16 -0.28 114.58 121.22 3bvl h GLU 142 Ca 0.28 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 3bvl h GLU 142 Cb -0.06 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 3bvl h GLU 142 CO -0.08 0.77 -0.05 1.25 -1.00 0.00 0.00 179.01 179.90 3bvl h LEU 143 N 0.18 1.02 -0.01 1.33 5.85 -0.82 -3.28 115.31 119.59 3bvl h LEU 143 Ca -0.01 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 3bvl h LEU 143 Cb 1.11 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.87 3bvl h LEU 143 CO 0.09 1.10 -0.05 0.40 -0.34 0.00 0.00 178.44 179.64 3bvl h ILE 144 N 0.93 1.53 -0.24 4.05 2.04 -1.06 -3.50 117.51 121.26 3bvl h ILE 144 Ca 0.16 -1.64 0.01 0.00 1.00 0.00 0.00 64.86 64.39 3bvl h ILE 144 Cb 0.61 2.61 -0.00 0.00 -0.74 0.00 0.00 36.82 39.29 3bvl h ILE 144 CO 0.04 0.43 -0.02 0.61 0.00 0.00 0.00 178.15 179.21 3bvl n GLY 145 N 0.77 -2.08 0.35 5.37 0.00 -0.13 -4.67 105.19 104.80 3bvl n GLY 145 Ca -0.09 -1.43 0.03 0.00 0.00 0.00 0.00 46.02 44.54 3bvl n GLY 145 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3bvl n ASN 146 N -0.07 2.25 -4.72 1.61 2.04 -1.26 -3.95 115.26 111.16 3bvl n ASN 146 Ca 0.00 -1.78 -0.36 0.00 -0.44 0.00 0.00 54.58 52.00 3bvl n ASN 146 Cb 0.02 -0.10 0.09 0.00 -2.53 0.00 0.00 39.78 37.26 3bvl n ASN 146 CO 0.00 0.00 0.00 -0.70 -0.44 0.00 0.00 177.26 176.12 3bvl s GLU 147 N -0.87 2.28 0.00 -3.83 2.56 -1.26 -4.41 118.70 113.17 3bvl s GLU 147 Ca 0.12 1.99 0.00 0.00 0.00 0.00 0.00 54.97 57.08 3bvl s GLU 147 Cb 0.07 -1.82 0.00 0.00 2.00 0.00 0.00 34.13 34.38 3bvl s GLU 147 CO 0.09 -1.79 0.00 0.27 -0.56 0.00 0.00 175.26 173.27 3bvl n ASN 148 N -2.30 0.00 0.00 -1.70 0.23 -1.26 0.13 115.26 110.36 3bvl n ASN 148 Ca 0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.20 3bvl n ASN 148 Cb 0.49 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 3bvl n ASN 148 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 3bvl n HIS 149 N 0.16 0.00 -0.12 -2.53 8.25 -1.26 -4.94 115.22 114.78 3bvl n HIS 149 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 3bvl n HIS 149 Cb 0.00 -0.41 0.03 0.00 1.12 0.00 0.00 29.99 30.73 3bvl n HIS 149 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3bvl h GLY 150 N 0.00 0.40 0.91 -1.41 0.00 -0.52 -0.65 103.07 101.80 3bvl h GLY 150 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.39 3bvl h GLY 150 CO 0.00 -0.09 0.30 1.41 0.00 0.00 0.00 176.54 178.16 3bvl h LEU 151 N 0.11 0.49 -0.11 3.11 3.38 -1.82 -0.35 115.31 120.12 3bvl h LEU 151 Ca 0.19 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.18 3bvl h LEU 151 Cb 0.27 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3bvl h LEU 151 CO -0.32 0.35 0.01 0.22 0.09 0.00 0.00 178.44 178.79 3bvl h TYR 152 N 0.60 0.01 -0.50 1.13 3.20 -1.82 0.34 116.97 119.94 3bvl h TYR 152 Ca 0.19 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.09 3bvl h TYR 152 Cb -0.00 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 3bvl h TYR 152 CO -0.06 -0.00 0.31 -0.07 -1.64 0.00 0.00 178.16 176.69 3bvl h LEU 153 N 0.05 0.51 -0.51 2.82 3.38 -0.87 -0.96 115.31 119.72 3bvl h LEU 153 Ca 0.05 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3bvl h LEU 153 Cb 0.05 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3bvl h LEU 153 CO -0.08 0.36 0.19 0.00 0.09 0.00 0.00 178.44 179.00 3bvl h ALA 154 N 1.21 0.67 -0.68 1.53 0.00 -0.87 -1.50 119.26 119.62 3bvl h ALA 154 Ca 0.20 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3bvl h ALA 154 Cb -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3bvl h ALA 154 CO -0.08 0.29 0.25 0.22 0.00 0.00 0.00 179.25 179.94 3bvl h ASP 155 N 0.69 0.96 -0.38 0.00 3.58 -0.64 -1.50 116.42 119.14 3bvl h ASP 155 Ca 0.17 -0.18 -0.07 0.00 0.42 0.00 0.00 57.03 57.36 3bvl h ASP 155 Cb 0.22 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 3bvl h ASP 155 CO -0.01 0.88 -0.00 1.56 -2.88 0.00 0.00 179.24 178.79 3bvl h GLN 156 N 0.98 0.76 -0.25 0.28 1.08 -1.04 0.12 115.11 117.05 3bvl h GLN 156 Ca 0.23 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3bvl h GLN 156 Cb 0.24 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 3bvl h GLN 156 CO -0.01 0.78 0.16 -0.92 -0.95 0.00 0.00 178.83 177.88 3bvl h TYR 157 N 0.72 0.31 -0.52 2.96 3.20 -0.91 -1.49 116.97 121.23 3bvl h TYR 157 Ca 0.14 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.92 3bvl h TYR 157 Cb 0.44 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 3bvl h TYR 157 CO 0.02 0.21 -0.06 0.28 -1.64 0.00 0.00 178.16 176.98 3bvl h VAL 158 N 0.32 1.26 -0.69 1.81 2.07 -0.92 -2.61 116.25 117.50 3bvl h VAL 158 Ca 0.09 -1.17 0.08 0.00 0.82 0.00 0.00 66.70 66.51 3bvl h VAL 158 Cb -0.02 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 3bvl h VAL 158 CO -0.02 0.41 0.36 0.50 0.02 0.00 0.00 177.57 178.85 3bvl h LYS 159 N 0.85 0.62 -0.60 1.57 3.64 -0.55 0.08 116.57 122.18 3bvl h LYS 159 Ca 0.15 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3bvl h LYS 159 Cb 0.59 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 3bvl h LYS 159 CO 0.04 0.41 0.35 0.78 -2.27 0.00 0.00 179.45 178.76 3bvl h GLY 160 N 0.64 0.89 0.98 5.01 0.00 -0.99 -1.52 103.07 108.08 3bvl h GLY 160 Ca 0.32 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3bvl h GLY 160 CO -0.23 0.37 0.00 -2.22 0.00 0.00 0.00 176.54 174.47 3bvl h ILE 161 N 0.82 1.02 -0.61 2.60 2.04 -1.07 -1.45 117.51 120.86 3bvl h ILE 161 Ca 0.21 -0.05 0.11 0.00 1.00 0.00 0.00 64.86 66.14 3bvl h ILE 161 Cb 0.01 1.04 -0.09 0.00 -0.74 0.00 0.00 36.82 37.04 3bvl h ILE 161 CO -0.04 0.01 0.14 0.00 0.00 0.00 0.00 178.15 178.26 3bvl h ALA 162 N 0.98 0.72 -0.28 1.87 0.00 -0.71 -1.47 119.26 120.37 3bvl h ALA 162 Ca 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3bvl h ALA 162 Cb 0.02 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3bvl h ALA 162 CO -0.00 -0.30 -0.38 0.87 0.00 0.00 0.00 179.25 179.44 3bvl h LYS 163 N 0.27 0.64 0.00 0.00 1.57 -1.14 -3.03 116.57 114.88 3bvl h LYS 163 Ca 0.32 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3bvl h LYS 163 Cb 0.47 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3bvl h LYS 163 CO -0.40 0.92 -0.40 0.66 -0.57 0.00 0.00 179.45 179.66 3bvl h SER 164 N 0.53 0.00 1.86 0.86 4.64 -0.56 -2.96 113.55 117.91 3bvl h SER 164 Ca 0.05 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 3bvl h SER 164 Cb 0.90 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3bvl h SER 164 CO 0.08 0.40 -0.14 0.03 -0.87 0.00 0.00 176.83 176.32 3bvl h ARG 165 N 0.00 0.00 0.41 4.77 3.08 -1.18 -3.17 114.38 118.29 3bvl h ARG 165 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3bvl h ARG 165 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 3bvl h ARG 165 CO 0.05 0.13 -0.20 0.87 -1.07 0.00 0.00 179.97 179.75 3bvl h LYS 166 N 0.00 -0.53 0.00 0.04 1.57 -1.42 -3.52 116.57 112.71 3bvl h LYS 166 Ca -0.00 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3bvl h LYS 166 Cb 1.10 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3bvl h LYS 166 CO 0.02 -0.22 0.00 0.45 -0.57 0.00 0.00 179.45 179.12