#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 3.46 0.01 -1.40 5.65 -1.26 -5.08 115.29 116.68 3bvl s HIS 1004Ca 0.00 0.91 0.03 0.00 0.25 0.00 0.00 55.06 56.25 3bvl s HIS 1004Cb 0.00 -2.65 -0.04 0.00 -1.18 0.00 0.00 32.58 28.71 3bvl s HIS 1004CO 0.00 0.04 -0.03 -1.12 -0.65 0.00 0.00 174.74 172.98 3bvl s SER 1003N 0.87 4.89 0.58 9.88 0.01 -1.26 -5.10 113.70 123.57 3bvl s SER 1003Ca 0.27 -0.09 -0.20 0.00 1.31 0.00 0.00 55.95 57.25 3bvl s SER 1003Cb -0.16 -1.20 -0.04 0.00 0.21 0.00 0.00 66.02 64.83 3bvl s SER 1003CO 0.11 0.27 1.26 -1.10 0.41 0.00 0.00 173.24 174.19 3bvl s GLN 1002N -1.58 2.98 0.87 12.44 -1.52 -1.26 -4.98 119.66 126.61 3bvl s GLN 1002Ca 0.19 1.97 -0.11 0.00 -1.95 0.00 0.00 55.36 55.46 3bvl s GLN 1002Cb -0.11 -2.03 0.12 0.00 -0.22 0.00 0.00 33.01 30.77 3bvl s GLN 1002CO 0.10 -1.24 1.15 -0.51 -0.25 0.00 0.00 175.29 174.55 3bvl s ASP 1001N -1.38 3.23 0.31 5.90 1.01 -1.26 -4.94 116.67 119.54 3bvl s ASP 1001Ca 0.76 2.19 -0.28 0.00 0.71 0.00 0.00 52.55 55.93 3bvl s ASP 1001Cb -0.34 -2.57 -0.13 0.00 1.01 0.00 0.00 42.92 40.89 3bvl s ASP 1001CO 0.38 -2.90 1.14 -2.65 0.21 0.00 0.00 175.17 171.36 3bvl n PRO 0 N -3.95 1.71 0.00 8.23 -0.02 -1.24 -4.83 135.00 134.91 3bvl n PRO 0 Ca 0.12 0.60 0.13 0.00 -2.02 0.00 0.00 63.50 62.33 3bvl n PRO 0 Cb 0.52 -2.07 0.34 0.00 -0.02 0.00 0.00 33.50 32.27 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 0.67 0.51 -4.21 -0.52 2.81 0.04 -4.89 117.12 111.54 3bvl n MET 1 Ca 0.07 -0.29 -0.25 0.00 -1.81 0.00 0.00 57.70 55.42 3bvl n MET 1 Cb 0.34 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 31.28 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 -2.69 3.36 0.64 4.03 1.43 -1.26 -5.12 118.68 119.06 3bvl s LEU 2 Ca 0.19 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.72 3bvl s LEU 2 Cb 0.19 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 3bvl s LEU 2 CO 0.58 0.05 1.08 -0.94 0.23 0.00 0.00 176.35 177.35 3bvl s SER 3 N -3.23 5.43 0.26 2.29 1.04 -1.26 -4.81 113.70 113.43 3bvl s SER 3 Ca 0.29 1.86 -0.01 0.00 0.48 0.00 0.00 55.95 58.57 3bvl s SER 3 Cb -0.08 -2.53 0.53 0.00 0.10 0.00 0.00 66.02 64.03 3bvl s SER 3 CO 0.20 -1.41 1.76 0.11 0.98 0.00 0.00 173.24 174.89 3bvl h LYS 4 N 0.08 0.62 -0.29 4.02 1.57 -1.99 0.26 116.57 120.84 3bvl h LYS 4 Ca -0.46 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.27 3bvl h LYS 4 Cb 1.23 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3bvl h LYS 4 CO 0.56 0.41 0.15 -0.44 -0.57 0.00 0.00 179.45 179.55 3bvl h ASP 5 N 0.63 0.37 -0.41 0.86 3.45 -1.99 -1.05 116.42 118.27 3bvl h ASP 5 Ca 0.46 -0.11 -0.13 0.00 0.43 0.00 0.00 57.03 57.68 3bvl h ASP 5 Cb 0.64 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.31 3bvl h ASP 5 CO -0.36 0.37 -0.24 0.40 -1.57 0.00 0.00 179.24 177.85 3bvl h ILE 6 N 0.34 1.27 -0.32 0.35 1.08 -1.79 -1.83 117.51 116.62 3bvl h ILE 6 Ca 0.10 -1.39 0.04 0.00 -0.39 0.00 0.00 64.86 63.22 3bvl h ILE 6 Cb 0.09 1.17 -0.04 0.00 -3.07 0.00 0.00 36.82 34.98 3bvl h ILE 6 CO -0.01 0.47 0.08 0.40 -0.69 0.00 0.00 178.15 178.40 3bvl h ILE 7 N 0.80 0.87 -0.00 -0.67 2.04 -0.83 -0.48 117.51 119.22 3bvl h ILE 7 Ca 0.10 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3bvl h ILE 7 Cb 0.80 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3bvl h ILE 7 CO 0.07 0.04 0.00 0.50 0.00 0.00 0.00 178.15 178.76 3bvl h LYS 8 N 0.20 0.00 -0.64 2.37 3.64 -1.03 -1.22 116.57 119.89 3bvl h LYS 8 Ca 0.15 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 3bvl h LYS 8 Cb 0.15 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 3bvl h LYS 8 CO -0.18 0.02 0.15 -0.07 -2.27 0.00 0.00 179.45 177.09 3bvl h LEU 9 N -0.01 0.95 -0.26 5.20 3.38 -1.12 -1.00 115.31 122.45 3bvl h LEU 9 Ca 0.00 -0.20 -0.19 0.00 0.09 0.00 0.00 57.88 57.58 3bvl h LEU 9 Cb 0.01 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3bvl h LEU 9 CO -0.00 0.93 -0.58 -0.07 0.09 0.00 0.00 178.44 178.81 3bvl h LEU 10 N 0.96 0.96 -0.67 1.67 3.38 -1.01 -0.98 115.31 119.62 3bvl h LEU 10 Ca 0.20 -0.55 0.01 0.00 0.09 0.00 0.00 57.88 57.63 3bvl h LEU 10 Cb 0.36 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3bvl h LEU 10 CO 0.00 1.34 0.44 0.78 0.09 0.00 0.00 178.44 181.09 3bvl h ASN 11 N 0.63 0.75 -0.41 -0.43 4.21 -1.07 -1.13 115.58 118.15 3bvl h ASN 11 Ca 0.00 -0.02 -0.04 0.00 1.21 0.00 0.00 56.30 57.46 3bvl h ASN 11 Cb 1.20 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 38.19 3bvl h ASN 11 CO 0.13 0.54 0.14 -0.33 -1.29 0.00 0.00 177.43 176.62 3bvl h GLU 12 N 0.89 0.69 -0.39 0.81 5.08 -1.11 -2.61 114.58 117.95 3bvl h GLU 12 Ca 0.25 -0.12 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 3bvl h GLU 12 Cb -0.08 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3bvl h GLU 12 CO -0.07 0.61 -0.28 0.37 -1.00 0.00 0.00 179.01 178.65 3bvl h GLN 13 N 0.68 0.83 -0.40 2.33 5.75 -0.59 0.34 115.11 124.05 3bvl h GLN 13 Ca 0.16 -0.37 0.04 0.00 -0.15 0.00 0.00 58.65 58.33 3bvl h GLN 13 Cb 0.21 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.70 3bvl h GLN 13 CO -0.01 1.01 0.16 0.28 -2.65 0.00 0.00 178.83 177.61 3bvl h VAL 14 N 0.71 0.90 -0.49 2.39 2.07 -1.01 -1.25 116.25 119.57 3bvl h VAL 14 Ca 0.08 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3bvl h VAL 14 Cb 0.82 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3bvl h VAL 14 CO 0.07 0.06 0.31 -1.13 0.02 0.00 0.00 177.57 176.90 3bvl h ASN 15 N 0.33 0.58 -0.64 0.57 -0.73 -1.07 -1.78 115.58 112.84 3bvl h ASN 15 Ca 0.18 -0.04 0.07 0.00 1.87 0.00 0.00 56.30 58.38 3bvl h ASN 15 Cb 0.15 -0.15 -0.06 0.00 0.27 0.00 0.00 38.32 38.53 3bvl h ASN 15 CO -0.17 0.45 0.32 0.11 -0.37 0.00 0.00 177.43 177.77 3bvl h LYS 16 N 0.66 0.56 -0.41 6.67 1.57 -0.56 0.59 116.57 125.65 3bvl h LYS 16 Ca 0.18 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.78 3bvl h LYS 16 Cb -0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 3bvl h LYS 16 CO -0.04 0.37 -0.30 0.93 -0.57 0.00 0.00 179.45 179.85 3bvl h GLU 17 N 0.58 0.90 -0.62 3.15 4.39 -0.96 0.86 114.58 122.87 3bvl h GLU 17 Ca 0.30 -0.42 -0.07 0.00 0.34 0.00 0.00 59.36 59.51 3bvl h GLU 17 Cb 0.26 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 3bvl h GLU 17 CO -0.22 1.07 0.10 0.52 -1.16 0.00 0.00 179.01 179.32 3bvl h MET 18 N 0.76 1.02 -0.62 2.33 2.86 -1.04 -0.16 114.93 120.07 3bvl h MET 18 Ca 0.08 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.41 3bvl h MET 18 Cb 0.86 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 3bvl h MET 18 CO 0.08 0.95 0.21 -0.97 1.06 0.00 0.00 176.91 178.24 3bvl h ASN 19 N 0.93 0.89 -0.49 1.22 -0.73 -0.70 -2.50 115.58 114.19 3bvl h ASN 19 Ca 0.19 -0.19 0.00 0.00 1.87 0.00 0.00 56.30 58.17 3bvl h ASN 19 Cb 0.42 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 3bvl h ASN 19 CO 0.01 0.85 0.32 -1.28 -0.37 0.00 0.00 177.43 176.95 3bvl h SER 20 N 0.88 0.57 -0.34 1.15 0.87 -0.61 -0.58 113.55 115.48 3bvl h SER 20 Ca 0.20 -0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.80 3bvl h SER 20 Cb 0.26 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.02 3bvl h SER 20 CO -0.01 0.42 -0.03 -1.28 -0.53 0.00 0.00 176.83 175.40 3bvl h SER 21 N 0.66 -0.21 -0.20 6.23 0.87 -0.83 -0.45 113.55 119.62 3bvl h SER 21 Ca 0.18 0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.73 3bvl h SER 21 Cb -0.06 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 3bvl h SER 21 CO -0.04 -0.07 -0.19 0.78 -0.53 0.00 0.00 176.83 176.78 3bvl h ASN 22 N 0.06 0.63 -0.27 6.23 4.21 -1.18 -0.93 115.58 124.33 3bvl h ASN 22 Ca 0.17 -0.21 0.01 0.00 1.21 0.00 0.00 56.30 57.48 3bvl h ASN 22 Cb 0.24 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.25 3bvl h ASN 22 CO -0.31 0.83 0.16 0.25 -1.29 0.00 0.00 177.43 177.07 3bvl h LEU 23 N 0.56 0.27 -0.95 1.61 5.85 -0.53 -1.16 115.31 120.97 3bvl h LEU 23 Ca 0.09 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 3bvl h LEU 23 Cb 0.65 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3bvl h LEU 23 CO 0.05 0.20 -0.37 1.88 -0.34 0.00 0.00 178.44 179.86 3bvl h TYR 24 N 0.34 0.35 -0.79 1.25 0.05 -0.83 -0.55 116.97 116.79 3bvl h TYR 24 Ca 0.10 -0.09 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 3bvl h TYR 24 Cb -0.02 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 37.61 3bvl h TYR 24 CO -0.07 0.64 0.37 0.52 -1.05 0.00 0.00 178.16 178.57 3bvl h MET 25 N 0.26 1.14 -0.33 4.88 2.86 -0.97 0.76 114.93 123.54 3bvl h MET 25 Ca 0.03 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.41 3bvl h MET 25 Cb 0.77 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 3bvl h MET 25 CO 0.06 0.88 -0.15 1.03 1.06 0.00 0.00 176.91 179.79 3bvl h SER 26 N 1.13 0.70 -0.62 1.22 0.87 -0.68 -0.74 113.55 115.43 3bvl h SER 26 Ca 0.27 -0.40 -0.03 0.00 -1.23 0.00 0.00 61.79 60.40 3bvl h SER 26 Cb 0.12 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 3bvl h SER 26 CO -0.03 0.95 0.29 0.24 -0.53 0.00 0.00 176.83 177.74 3bvl h MET 27 N 0.45 0.90 -0.35 2.24 2.07 -1.00 -1.78 114.93 117.46 3bvl h MET 27 Ca 0.07 -0.14 0.03 0.00 -2.07 0.00 0.00 59.70 57.59 3bvl h MET 27 Cb 0.68 -0.16 -0.03 0.00 -1.87 0.00 0.00 31.60 30.22 3bvl h MET 27 CO 0.05 0.73 0.16 1.03 1.07 0.00 0.00 176.91 179.96 3bvl h SER 28 N 0.86 0.23 -0.72 1.22 0.87 -0.75 -1.88 113.55 113.38 3bvl h SER 28 Ca 0.21 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 3bvl h SER 28 Cb 0.14 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 3bvl h SER 28 CO -0.02 0.17 0.43 -1.28 -0.53 0.00 0.00 176.83 175.60 3bvl h SER 29 N 0.34 0.87 -0.19 6.23 0.87 -0.89 0.05 113.55 120.83 3bvl h SER 29 Ca 0.15 -0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.68 3bvl h SER 29 Cb 0.08 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 3bvl h SER 29 CO -0.12 0.69 -0.04 -0.25 -0.53 0.00 0.00 176.83 176.58 3bvl h TRP 30 N 0.99 -0.08 -0.19 2.24 7.01 -1.03 -0.97 115.95 123.91 3bvl h TRP 30 Ca 0.26 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.28 3bvl h TRP 30 Cb -0.02 0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 3bvl h TRP 30 CO -0.01 -0.07 0.12 0.00 -2.79 0.00 0.00 178.44 175.69 3bvl h TYR 32 N 0.25 0.78 -0.01 0.00 -1.99 -0.71 0.47 116.97 115.75 3bvl h TYR 32 Ca 0.07 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.82 3bvl h TYR 32 Cb -0.02 -0.26 0.00 0.00 2.00 0.00 0.00 36.73 38.45 3bvl h TYR 32 CO -0.07 0.41 -0.11 0.25 -0.00 0.00 0.00 178.16 178.64 3bvl n THR 33 N -4.48 0.00 -1.59 -2.88 -2.24 -0.39 -3.57 114.28 99.12 3bvl n THR 33 Ca 0.11 -0.11 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 3bvl n THR 33 Cb 0.24 0.12 0.20 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.64 0.00 -1.24 4.78 8.25 -0.74 -4.98 115.22 120.65 3bvl n HIS 34 Ca 0.16 -1.47 -0.08 0.00 -0.26 0.00 0.00 57.72 56.07 3bvl n HIS 34 Cb 0.30 -0.24 -0.04 0.00 1.12 0.00 0.00 29.99 31.12 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 -1.11 -4.51 -3.70 0.41 7.64 -1.10 -4.94 113.62 106.31 3bvl n SER 35 Ca 0.19 0.21 -0.36 0.00 1.01 0.00 0.00 58.87 59.92 3bvl n SER 35 Cb 0.69 -2.75 -0.03 0.00 -1.01 0.00 0.00 64.21 61.12 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 -0.96 5.42 0.23 -3.43 4.77 0.08 -4.87 117.00 118.24 3bvl n LEU 36 Ca -0.08 -5.34 0.15 0.00 -0.03 0.00 0.00 56.01 50.70 3bvl n LEU 36 Cb 0.36 -1.00 0.50 0.00 -2.33 0.00 0.00 43.42 40.95 3bvl n LEU 36 CO 0.13 1.90 0.92 -2.24 -1.33 0.00 0.00 177.39 176.76 3bvl h ASP 37 N 4.73 0.00 0.26 -1.43 2.03 -1.88 -0.25 116.42 119.89 3bvl h ASP 37 Ca 0.22 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.51 3bvl h ASP 37 Cb 0.60 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.10 3bvl h ASP 37 CO 1.11 0.00 -0.13 1.23 -1.03 0.00 0.00 179.24 180.43 3bvl h GLY 38 N 2.79 -0.37 1.36 7.15 0.00 -1.90 -0.39 103.07 111.71 3bvl h GLY 38 Ca 0.00 0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 3bvl h GLY 38 CO 0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 176.54 176.30 3bvl h ALA 39 N 0.01 1.01 -0.22 3.60 0.00 -1.71 -1.42 119.26 120.54 3bvl h ALA 39 Ca -0.04 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.62 3bvl h ALA 39 Cb 0.45 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3bvl h ALA 39 CO 0.06 0.59 -0.13 0.78 0.00 0.00 0.00 179.25 180.55 3bvl h GLY 40 N 0.97 0.03 0.87 0.00 0.00 -1.00 -0.35 103.07 103.59 3bvl h GLY 40 Ca 0.12 0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 3bvl h GLY 40 CO 0.04 -0.15 0.05 -2.00 0.00 0.00 0.00 176.54 174.48 3bvl h LEU 41 N -0.12 0.20 -0.44 3.11 5.85 -0.88 -1.28 115.31 121.75 3bvl h LEU 41 Ca 0.12 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.74 3bvl h LEU 41 Cb 0.31 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 3bvl h LEU 41 CO -0.29 0.32 0.08 0.15 -0.34 0.00 0.00 178.44 178.36 3bvl h PHE 42 N 0.07 0.12 -0.13 1.25 3.57 -1.02 -1.01 116.94 119.78 3bvl h PHE 42 Ca 0.05 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.40 3bvl h PHE 42 Cb 0.18 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 3bvl h PHE 42 CO -0.01 -0.01 -0.64 -0.07 -2.23 0.00 0.00 178.31 175.35 3bvl h LEU 43 N 0.21 0.56 -0.07 0.59 3.38 -1.00 -1.18 115.31 117.80 3bvl h LEU 43 Ca 0.22 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3bvl h LEU 43 Cb 0.28 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3bvl h LEU 43 CO -0.29 1.06 0.04 0.15 0.09 0.00 0.00 178.44 179.49 3bvl h PHE 44 N 0.36 0.08 -0.49 1.13 3.57 -0.97 0.35 116.94 120.97 3bvl h PHE 44 Ca -0.01 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 3bvl h PHE 44 Cb 1.20 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 3bvl h PHE 44 CO 0.05 0.05 0.01 -0.44 -2.23 0.00 0.00 178.31 175.75 3bvl h ASP 45 N 0.09 0.77 -0.60 0.41 3.32 -1.07 -1.57 116.42 117.77 3bvl h ASP 45 Ca 0.03 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.81 3bvl h ASP 45 Cb -0.00 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 3bvl h ASP 45 CO -0.01 0.83 0.06 -0.74 -1.72 0.00 0.00 179.24 177.65 3bvl h HIS 46 N 0.75 1.11 -0.47 4.55 2.76 -1.07 -2.28 115.15 120.50 3bvl h HIS 46 Ca 0.15 -0.17 0.05 0.00 -2.20 0.00 0.00 60.37 58.20 3bvl h HIS 46 Cb 0.44 -0.30 -0.05 0.00 1.55 0.00 0.00 27.41 29.06 3bvl h HIS 46 CO 0.02 0.97 0.20 0.00 -1.30 0.00 0.00 177.93 177.82 3bvl h ALA 47 N 1.00 0.58 -0.65 5.26 0.00 -0.50 -1.64 119.26 123.32 3bvl h ALA 47 Ca 0.18 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3bvl h ALA 47 Cb 0.49 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3bvl h ALA 47 CO 0.02 -0.17 0.40 0.00 0.00 0.00 0.00 179.25 179.50 3bvl h ALA 48 N 1.28 1.48 -0.46 0.00 0.00 -1.11 -2.21 119.26 118.25 3bvl h ALA 48 Ca 0.21 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3bvl h ALA 48 Cb 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3bvl h ALA 48 CO -0.18 0.46 -0.13 1.49 0.00 0.00 0.00 179.25 180.88 3bvl h GLU 49 N 0.89 0.84 -0.77 0.00 4.57 -0.93 -2.00 114.58 117.19 3bvl h GLU 49 Ca 0.23 -0.30 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 3bvl h GLU 49 Cb -0.05 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.44 3bvl h GLU 49 CO -0.05 0.93 0.43 0.93 -1.18 0.00 0.00 179.01 180.07 3bvl h GLU 50 N 0.76 1.06 -0.49 1.92 4.39 -0.73 -1.68 114.58 119.81 3bvl h GLU 50 Ca 0.12 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.63 3bvl h GLU 50 Cb 0.64 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 3bvl h GLU 50 CO 0.04 0.78 -0.00 -0.92 -1.16 0.00 0.00 179.01 177.75 3bvl h TYR 51 N 1.06 0.88 -0.82 4.33 3.20 -1.15 -1.90 116.97 122.56 3bvl h TYR 51 Ca 0.27 -0.13 0.01 0.00 3.14 0.00 0.00 58.73 62.03 3bvl h TYR 51 Cb 0.01 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.00 3bvl h TYR 51 CO -0.00 0.81 0.54 0.93 -1.64 0.00 0.00 178.16 178.80 3bvl h GLU 52 N 0.76 1.06 -0.52 1.82 4.39 -0.93 -0.89 114.58 120.27 3bvl h GLU 52 Ca 0.15 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 3bvl h GLU 52 Cb 0.47 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 3bvl h GLU 52 CO 0.02 0.70 0.31 0.45 -1.16 0.00 0.00 179.01 179.33 3bvl h HIS 53 N 1.09 0.69 -0.48 4.33 3.86 -0.71 -1.30 115.15 122.61 3bvl h HIS 53 Ca 0.31 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.55 3bvl h HIS 53 Cb -0.09 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.12 3bvl h HIS 53 CO -0.00 0.48 0.27 0.00 0.86 0.00 0.00 177.93 179.53 3bvl h ALA 54 N 1.15 0.62 -0.86 2.45 0.00 -0.63 -1.40 119.26 120.59 3bvl h ALA 54 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3bvl h ALA 54 Cb -0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3bvl h ALA 54 CO -0.03 -0.06 0.48 0.87 0.00 0.00 0.00 179.25 180.51 3bvl h LYS 55 N 0.53 1.20 -0.69 0.00 1.57 -0.91 -0.69 116.57 117.58 3bvl h LYS 55 Ca 0.20 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 3bvl h LYS 55 Cb 0.07 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 3bvl h LYS 55 CO -0.12 0.87 0.14 0.87 -0.57 0.00 0.00 179.45 180.64 3bvl h LYS 56 N 1.20 1.12 -0.60 3.15 1.57 -0.79 -0.91 116.57 121.31 3bvl h LYS 56 Ca 0.31 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3bvl h LYS 56 Cb 0.02 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3bvl h LYS 56 CO -0.05 1.01 0.24 -0.07 -0.57 0.00 0.00 179.45 180.00 3bvl h LEU 57 N 1.05 0.84 -0.68 2.94 3.38 -0.90 -2.48 115.31 119.47 3bvl h LEU 57 Ca 0.21 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3bvl h LEU 57 Cb 0.41 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3bvl h LEU 57 CO 0.01 0.78 0.42 0.40 0.09 0.00 0.00 178.44 180.14 3bvl h ILE 58 N 0.84 1.19 -0.58 1.22 2.04 -0.80 -1.05 117.51 120.37 3bvl h ILE 58 Ca 0.20 -0.40 0.02 0.00 1.00 0.00 0.00 64.86 65.68 3bvl h ILE 58 Cb 0.21 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 3bvl h ILE 58 CO -0.02 0.19 0.36 0.40 0.00 0.00 0.00 178.15 179.09 3bvl h ILE 59 N 0.92 1.08 -0.67 -0.67 2.04 -1.02 0.10 117.51 119.29 3bvl h ILE 59 Ca 0.24 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 3bvl h ILE 59 Cb -0.05 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 3bvl h ILE 59 CO -0.05 0.13 0.33 0.15 0.00 0.00 0.00 178.15 178.71 3bvl h PHE 60 N 0.71 0.96 -0.18 1.37 3.57 -1.07 -1.09 116.94 121.20 3bvl h PHE 60 Ca 0.23 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3bvl h PHE 60 Cb 0.01 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 3bvl h PHE 60 CO -0.05 0.71 0.10 -0.07 -2.23 0.00 0.00 178.31 176.76 3bvl h LEU 61 N 0.93 0.24 -0.69 0.59 3.38 -0.61 -2.73 115.31 116.40 3bvl h LEU 61 Ca 0.23 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.18 3bvl h LEU 61 Cb 0.10 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 3bvl h LEU 61 CO -0.03 0.27 0.36 0.78 0.09 0.00 0.00 178.44 179.92 3bvl h ASN 62 N 0.18 0.50 0.74 -0.43 2.35 -0.61 -0.95 115.58 117.37 3bvl h ASN 62 Ca 0.06 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 3bvl h ASN 62 Cb 0.09 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 3bvl h ASN 62 CO -0.01 0.30 -0.17 1.05 -1.65 0.00 0.00 177.43 176.96 3bvl h GLU 63 N 0.64 0.00 -0.54 0.81 4.11 -1.06 -1.96 114.58 116.57 3bvl h GLU 63 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.76 3bvl h GLU 63 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3bvl h GLU 63 CO -0.23 0.17 0.00 0.09 0.07 0.00 0.00 179.01 179.11 3bvl n ASN 64 N -3.42 2.91 -3.12 3.06 3.02 -0.85 -4.93 115.26 111.92 3bvl n ASN 64 Ca -0.00 -2.01 -0.23 0.00 -0.03 0.00 0.00 54.58 52.31 3bvl n ASN 64 Cb 0.35 -0.36 0.03 0.00 -0.61 0.00 0.00 39.78 39.18 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 1.08 -5.51 -4.56 6.41 4.13 -0.74 -0.78 115.26 115.29 3bvl n ASN 65 Ca 0.18 -0.32 -0.37 0.00 1.68 0.00 0.00 54.58 55.75 3bvl n ASN 65 Cb 0.46 -4.47 -0.11 0.00 -1.54 0.00 0.00 39.78 34.12 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 -3.12 4.95 0.21 2.41 1.01 -0.42 -3.63 120.40 121.82 3bvl s VAL 66 Ca 0.34 0.05 -0.32 0.00 0.00 0.00 0.00 61.98 62.04 3bvl s VAL 66 Cb -0.16 -3.33 -0.12 0.00 0.00 0.00 0.00 36.38 32.77 3bvl s VAL 66 CO 0.42 0.31 1.66 -2.65 0.00 0.00 0.00 175.10 174.83 3bvl n PRO 67 N 4.80 2.61 -2.87 2.72 -0.02 -1.26 -4.19 135.00 136.78 3bvl n PRO 67 Ca -0.15 0.94 -0.43 0.00 -2.02 0.00 0.00 63.50 61.84 3bvl n PRO 67 Cb 0.52 -2.75 -0.04 0.00 -0.02 0.00 0.00 33.50 31.20 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 0.87 4.59 -0.82 -1.45 1.01 -1.26 -4.99 120.40 118.36 3bvl s VAL 68 Ca 0.74 0.89 -0.03 0.00 0.00 0.00 0.00 61.98 63.57 3bvl s VAL 68 Cb -0.55 -4.33 0.20 0.00 0.00 0.00 0.00 36.38 31.71 3bvl s VAL 68 CO 0.37 -0.62 0.69 -1.10 0.00 0.00 0.00 175.10 174.43 3bvl s GLN 69 N 3.45 3.12 -0.06 2.72 -0.21 -1.26 -5.06 119.66 122.36 3bvl s GLN 69 Ca 0.35 -3.00 -0.30 0.00 0.02 0.00 0.00 55.36 52.43 3bvl s GLN 69 Cb -0.12 -3.95 -0.04 0.00 1.00 0.00 0.00 33.01 29.91 3bvl s GLN 69 CO 0.21 -1.24 1.27 -0.51 -2.12 0.00 0.00 175.29 172.90 3bvl s LEU 70 N -0.86 4.27 0.00 2.90 1.43 -1.26 -5.00 118.68 120.17 3bvl s LEU 70 Ca 0.24 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 55.21 3bvl s LEU 70 Cb -0.11 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.55 3bvl s LEU 70 CO -0.09 -0.65 0.00 0.35 0.23 0.00 0.00 176.35 176.19 3bvl n THR 71 N 4.75 0.00 -1.61 5.49 -2.24 -1.26 -5.07 114.28 114.34 3bvl n THR 71 Ca 0.12 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.57 3bvl n THR 71 Cb 0.45 -1.32 0.07 0.00 -2.10 0.00 0.00 70.33 67.43 3bvl n THR 71 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3bvl s SER 72 N -1.00 4.71 -0.34 3.42 1.04 -1.26 -5.01 113.70 115.26 3bvl s SER 72 Ca 0.00 2.13 -0.10 0.00 0.48 0.00 0.00 55.95 58.46 3bvl s SER 72 Cb 0.00 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.57 3bvl s SER 72 CO 0.00 -1.90 0.17 -0.63 0.98 0.00 0.00 173.24 171.86 3bvl s ILE 73 N -2.23 4.52 0.41 -1.02 -1.09 -1.26 -5.06 121.20 115.47 3bvl s ILE 73 Ca 0.69 -0.64 -0.26 0.00 -2.23 0.00 0.00 60.65 58.21 3bvl s ILE 73 Cb -0.24 -3.40 -0.10 0.00 -1.58 0.00 0.00 42.46 37.14 3bvl s ILE 73 CO 0.43 -0.06 1.41 -1.20 -1.23 0.00 0.00 174.94 174.29 3bvl n SER 74 N 4.97 3.30 -4.75 3.58 7.64 -1.26 -4.93 113.62 122.18 3bvl n SER 74 Ca -0.13 1.16 -0.42 0.00 1.01 0.00 0.00 58.87 60.49 3bvl n SER 74 Cb 0.48 -1.58 -0.01 0.00 -1.01 0.00 0.00 64.21 62.08 3bvl n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bvl n ALA 75 N 0.04 2.38 -1.72 -0.43 0.00 -1.26 -4.92 120.51 114.60 3bvl n ALA 75 Ca 0.04 0.36 -0.32 0.00 0.00 0.00 0.00 53.44 53.52 3bvl n ALA 75 Cb 0.40 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.42 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 -1.12 3.45 0.41 0.00 0.04 -1.26 -5.02 135.00 131.50 3bvl s PRO 76 Ca 0.60 1.06 -0.25 0.00 0.04 0.00 0.00 61.00 62.45 3bvl s PRO 76 Cb -0.50 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 31.88 3bvl s PRO 76 CO 0.55 -0.69 1.17 -1.91 0.04 0.00 0.00 177.00 176.15 3bvl n GLU 77 N -2.15 1.69 0.00 4.56 2.13 -1.26 -4.93 120.64 120.68 3bvl n GLU 77 Ca 0.08 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.50 3bvl n GLU 77 Cb 0.53 -2.24 0.00 0.00 0.27 0.00 0.00 31.44 30.01 3bvl n GLU 77 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 3bvl n HIS 78 N -0.29 0.00 -3.30 4.31 1.44 -1.26 -4.70 115.22 111.42 3bvl n HIS 78 Ca 0.08 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.40 3bvl n HIS 78 Cb 0.39 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.43 3bvl n HIS 78 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 3bvl s LYS 79 N -1.49 4.13 0.08 -1.40 2.20 -1.26 -4.93 119.74 117.06 3bvl s LYS 79 Ca 0.00 0.28 0.04 0.00 -0.36 0.00 0.00 55.97 55.93 3bvl s LYS 79 Cb 0.00 -3.60 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 3bvl s LYS 79 CO 0.00 -0.20 -0.12 -0.06 -0.36 0.00 0.00 175.35 174.62 3bvl s PHE 80 N 1.81 1.06 -0.04 4.03 0.40 -1.26 -5.05 117.98 118.93 3bvl s PHE 80 Ca 0.21 -0.54 0.13 0.00 -0.60 0.00 0.00 56.93 56.13 3bvl s PHE 80 Cb -0.15 -0.59 -0.16 0.00 0.51 0.00 0.00 43.02 42.62 3bvl s PHE 80 CO 0.09 0.01 0.94 0.93 0.70 0.00 0.00 175.22 177.90 3bvl h GLU 81 N 4.06 0.00 0.00 0.44 5.08 -1.97 -3.50 114.58 118.68 3bvl h GLU 81 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 3bvl h GLU 81 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3bvl h GLU 81 CO 0.45 0.55 0.00 0.41 -1.00 0.00 0.00 179.01 179.42 3bvl n GLY 82 N 1.42 -2.03 0.20 -3.84 0.00 -1.26 -5.00 105.19 94.68 3bvl n GLY 82 Ca -0.09 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 44.68 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 0.56 -0.09 0.99 5.85 -1.99 -1.59 115.31 119.04 3bvl h LEU 83 Ca 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3bvl h LEU 83 Cb 0.00 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 3bvl h LEU 83 CO 0.00 0.46 0.06 0.74 -0.34 0.00 0.00 178.44 179.36 3bvl h THR 84 N 0.62 1.02 -0.84 1.05 2.02 -1.97 -2.03 112.91 112.78 3bvl h THR 84 Ca 0.17 -0.04 0.04 0.00 0.77 0.00 0.00 66.41 67.34 3bvl h THR 84 Cb 0.01 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 67.26 3bvl h THR 84 CO -0.03 0.02 0.53 -0.61 0.37 0.00 0.00 175.52 175.81 3bvl h GLN 85 N 0.12 1.00 -0.28 6.66 4.15 -1.90 0.13 115.11 124.98 3bvl h GLN 85 Ca 0.03 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.42 3bvl h GLN 85 Cb -0.01 -0.23 -0.03 0.00 0.21 0.00 0.00 27.48 27.42 3bvl h GLN 85 CO -0.01 0.66 0.11 0.82 -1.93 0.00 0.00 178.83 178.48 3bvl h ILE 86 N 1.03 0.94 0.00 2.39 2.04 -1.03 0.33 117.51 123.21 3bvl h ILE 86 Ca 0.34 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 66.01 3bvl h ILE 86 Cb 0.03 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3bvl h ILE 86 CO -0.12 0.04 -0.48 -0.26 0.00 0.00 0.00 178.15 177.33 3bvl h PHE 87 N 0.24 0.00 -0.15 1.37 0.04 -0.87 0.15 116.94 117.73 3bvl h PHE 87 Ca 0.12 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 3bvl h PHE 87 Cb 0.08 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 3bvl h PHE 87 CO -0.12 0.48 0.04 1.96 -0.60 0.00 0.00 178.31 180.07 3bvl h GLN 88 N 0.00 0.23 -0.69 1.51 4.20 -0.52 -0.21 115.11 119.63 3bvl h GLN 88 Ca -0.00 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 3bvl h GLN 88 Cb 1.13 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.85 3bvl h GLN 88 CO 0.06 0.38 0.26 0.87 -0.67 0.00 0.00 178.83 179.73 3bvl h LYS 89 N 0.04 1.04 -0.45 1.46 1.57 -0.77 -2.11 116.57 117.35 3bvl h LYS 89 Ca 0.05 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 3bvl h LYS 89 Cb 0.25 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3bvl h LYS 89 CO 0.00 0.88 0.18 0.00 -0.57 0.00 0.00 179.45 179.93 3bvl h ALA 90 N 1.11 0.58 -0.45 3.86 0.00 -0.65 -0.48 119.26 123.24 3bvl h ALA 90 Ca 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3bvl h ALA 90 Cb 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3bvl h ALA 90 CO -0.02 0.19 0.23 -0.92 0.00 0.00 0.00 179.25 178.74 3bvl h TYR 91 N 0.58 0.64 -0.80 0.00 3.20 -0.93 -0.26 116.97 119.40 3bvl h TYR 91 Ca 0.15 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.03 3bvl h TYR 91 Cb 0.20 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 3bvl h TYR 91 CO 0.00 0.50 0.51 0.93 -1.64 0.00 0.00 178.16 178.46 3bvl h GLU 92 N 0.59 0.97 -0.52 1.82 5.08 -1.24 -1.31 114.58 119.97 3bvl h GLU 92 Ca 0.16 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3bvl h GLU 92 Cb 0.09 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 3bvl h GLU 92 CO -0.02 0.64 0.33 1.25 -1.00 0.00 0.00 179.01 180.20 3bvl h HIS 93 N 1.00 0.67 -0.48 4.33 2.76 -0.65 -1.60 115.15 121.17 3bvl h HIS 93 Ca 0.32 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.44 3bvl h HIS 93 Cb 0.01 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.72 3bvl h HIS 93 CO -0.03 0.45 0.08 0.93 -1.30 0.00 0.00 177.93 178.06 3bvl h GLU 94 N 0.70 0.74 -0.43 5.26 4.39 -0.61 0.20 114.58 124.84 3bvl h GLU 94 Ca 0.19 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 3bvl h GLU 94 Cb -0.04 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 3bvl h GLU 94 CO -0.04 0.70 0.25 1.96 -1.16 0.00 0.00 179.01 180.73 3bvl h GLN 95 N 0.71 0.58 -0.53 2.33 4.20 -0.92 -0.56 115.11 120.93 3bvl h GLN 95 Ca 0.15 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3bvl h GLN 95 Cb 0.33 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 3bvl h GLN 95 CO 0.00 0.44 0.35 1.25 -0.67 0.00 0.00 178.83 180.20 3bvl h HIS 96 N 0.56 0.67 -0.44 2.96 2.76 -0.69 -1.58 115.15 119.39 3bvl h HIS 96 Ca 0.15 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 3bvl h HIS 96 Cb 0.01 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.72 3bvl h HIS 96 CO -0.03 0.43 0.26 0.82 -1.30 0.00 0.00 177.93 178.10 3bvl h ILE 97 N 0.72 1.15 -0.70 6.26 1.08 -0.77 -1.68 117.51 123.57 3bvl h ILE 97 Ca 0.19 -0.37 0.08 0.00 -0.39 0.00 0.00 64.86 64.38 3bvl h ILE 97 Cb -0.07 0.59 -0.07 0.00 -3.07 0.00 0.00 36.82 34.20 3bvl h ILE 97 CO -0.04 0.16 0.36 0.28 -0.69 0.00 0.00 178.15 178.22 3bvl h SER 98 N 0.59 0.50 -0.70 1.72 0.02 -0.85 -1.74 113.55 113.08 3bvl h SER 98 Ca 0.16 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 3bvl h SER 98 Cb 0.03 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 3bvl h SER 98 CO -0.03 0.30 0.41 -0.08 -1.14 0.00 0.00 176.83 176.29 3bvl h GLU 99 N 0.63 0.96 -0.58 3.45 4.81 -0.97 -1.22 114.58 121.67 3bvl h GLU 99 Ca 0.34 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 3bvl h GLU 99 Cb 0.31 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3bvl h GLU 99 CO -0.24 0.69 0.21 0.66 -0.73 0.00 0.00 179.01 179.61 3bvl h SER 100 N 0.96 0.77 -0.07 1.04 4.64 -0.59 -0.77 113.55 119.53 3bvl h SER 100 Ca 0.25 -0.11 -0.04 0.00 -0.47 0.00 0.00 61.79 61.43 3bvl h SER 100 Cb -0.01 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 61.88 3bvl h SER 100 CO -0.04 0.71 -0.10 0.40 -0.87 0.00 0.00 176.83 176.92 3bvl h ILE 101 N 0.83 1.40 -0.75 0.95 2.04 -1.02 -2.72 117.51 118.23 3bvl h ILE 101 Ca 0.20 -1.34 0.16 0.00 1.00 0.00 0.00 64.86 64.87 3bvl h ILE 101 Cb 0.19 2.13 -0.11 0.00 -0.74 0.00 0.00 36.82 38.29 3bvl h ILE 101 CO -0.02 0.37 0.22 0.78 0.00 0.00 0.00 178.15 179.51 3bvl h ASN 102 N -0.27 0.09 -0.21 1.72 2.35 -1.04 -0.83 115.58 117.39 3bvl h ASN 102 Ca 0.01 0.14 0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3bvl h ASN 102 Cb 0.65 0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.16 3bvl h ASN 102 CO 0.02 -0.01 0.02 -1.13 -1.65 0.00 0.00 177.43 174.69 3bvl h ASN 103 N 0.31 -0.03 -0.26 5.81 -0.00 -1.10 -0.69 115.58 119.62 3bvl h ASN 103 Ca 0.43 0.04 -0.02 0.00 -0.00 0.00 0.00 56.30 56.75 3bvl h ASN 103 Cb 0.73 0.06 -0.01 0.00 -0.00 0.00 0.00 38.32 39.10 3bvl h ASN 103 CO -0.49 0.01 0.09 0.40 -0.00 0.00 0.00 177.43 177.44 3bvl h ILE 104 N 0.10 1.19 -0.98 2.57 2.04 -1.09 -2.22 117.51 119.12 3bvl h ILE 104 Ca 0.10 -0.59 0.03 0.00 1.00 0.00 0.00 64.86 65.39 3bvl h ILE 104 Cb 0.11 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 3bvl h ILE 104 CO -0.14 0.20 0.65 0.58 0.00 0.00 0.00 178.15 179.43 3bvl h VAL 105 N 0.26 1.19 -0.57 1.67 2.07 -1.04 0.76 116.25 120.59 3bvl h VAL 105 Ca 0.09 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 3bvl h VAL 105 Cb 0.22 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.78 3bvl h VAL 105 CO -0.00 0.23 0.15 -0.78 0.02 0.00 0.00 177.57 177.18 3bvl h ASP 106 N 1.27 0.87 -0.49 0.57 3.58 -1.05 -1.72 116.42 119.45 3bvl h ASP 106 Ca 0.38 -0.23 -0.05 0.00 0.42 0.00 0.00 57.03 57.56 3bvl h ASP 106 Cb -0.04 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.76 3bvl h ASP 106 CO -0.11 0.87 0.15 0.45 -2.88 0.00 0.00 179.24 177.72 3bvl h HIS 107 N 0.82 0.83 -0.56 0.28 3.86 -0.65 -1.13 115.15 118.61 3bvl h HIS 107 Ca 0.18 -0.07 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 3bvl h HIS 107 Cb 0.33 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 3bvl h HIS 107 CO 0.02 0.69 0.21 0.00 0.86 0.00 0.00 177.93 179.71 3bvl h ALA 108 N 1.37 0.73 -0.14 2.45 0.00 -0.57 -2.19 119.26 120.91 3bvl h ALA 108 Ca 0.18 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3bvl h ALA 108 Cb 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3bvl h ALA 108 CO -0.01 0.36 0.09 0.82 0.00 0.00 0.00 179.25 180.51 3bvl h ILE 109 N 0.77 1.07 -0.29 0.00 2.04 -1.02 0.15 117.51 120.23 3bvl h ILE 109 Ca 0.19 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 3bvl h ILE 109 Cb 0.22 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3bvl h ILE 109 CO -0.01 0.07 0.05 0.11 0.00 0.00 0.00 178.15 178.36 3bvl h LYS 110 N 0.16 0.42 -0.61 2.37 1.57 -1.07 -2.32 116.57 117.09 3bvl h LYS 110 Ca 0.05 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3bvl h LYS 110 Cb 0.03 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3bvl h LYS 110 CO -0.01 0.42 0.00 -1.13 -0.57 0.00 0.00 179.45 178.16 3bvl n SER 111 N -4.35 3.85 -2.57 0.86 3.41 -0.84 -4.95 113.62 109.03 3bvl n SER 111 Ca 0.01 -2.10 -0.21 0.00 -0.26 0.00 0.00 58.87 56.31 3bvl n SER 111 Cb 0.18 -0.44 0.01 0.00 -0.26 0.00 0.00 64.21 63.70 3bvl n SER 111 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3bvl n LYS 112 N 1.23 -3.14 -3.09 4.33 5.02 -0.87 -4.93 118.16 116.70 3bvl n LYS 112 Ca 0.22 0.92 -0.44 0.00 -2.02 0.00 0.00 58.31 56.98 3bvl n LYS 112 Cb 0.63 -5.60 -0.00 0.00 -0.02 0.00 0.00 35.03 30.03 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 -2.41 7.09 0.12 4.39 -1.08 0.49 -4.82 116.67 120.45 3bvl s ASP 113 Ca 0.15 -3.07 0.24 0.00 -0.52 0.00 0.00 52.55 49.35 3bvl s ASP 113 Cb -0.06 -2.33 0.40 0.00 -1.46 0.00 0.00 42.92 39.46 3bvl s ASP 113 CO 0.18 -0.63 1.36 1.41 0.52 0.00 0.00 175.17 178.02 3bvl n HIS 114 N 4.74 0.55 -0.04 -5.34 8.25 -1.26 -1.44 115.22 120.67 3bvl n HIS 114 Ca 0.30 0.16 -0.10 0.00 -0.26 0.00 0.00 57.72 57.82 3bvl n HIS 114 Cb 0.43 -0.66 -0.04 0.00 1.12 0.00 0.00 29.99 30.84 3bvl n HIS 114 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bvl h ALA 115 N 2.54 0.24 -0.38 -1.41 0.00 -1.96 0.55 119.26 118.84 3bvl h ALA 115 Ca 0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3bvl h ALA 115 Cb 0.73 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3bvl h ALA 115 CO 0.00 -0.25 -0.26 1.15 0.00 0.00 0.00 179.25 179.90 3bvl h THR 116 N 0.22 1.28 0.03 0.00 2.02 -1.93 -0.95 112.91 113.58 3bvl h THR 116 Ca 0.07 -1.41 0.03 0.00 0.77 0.00 0.00 66.41 65.86 3bvl h THR 116 Cb 0.04 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 3bvl h THR 116 CO -0.01 0.47 -0.25 0.15 0.37 0.00 0.00 175.52 176.25 3bvl h PHE 117 N 0.65 -0.66 -0.73 3.16 3.57 -1.19 -1.99 116.94 119.76 3bvl h PHE 117 Ca 0.08 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.61 3bvl h PHE 117 Cb 0.83 0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.82 3bvl h PHE 117 CO 0.06 -0.34 0.48 -0.97 -2.23 0.00 0.00 178.31 175.31 3bvl h ASN 118 N -0.40 0.82 -0.83 0.41 -0.73 -0.84 -2.94 115.58 111.07 3bvl h ASN 118 Ca 0.05 -0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.20 3bvl h ASN 118 Cb 0.47 -0.20 -0.04 0.00 0.27 0.00 0.00 38.32 38.82 3bvl h ASN 118 CO -0.20 0.59 0.52 0.15 -0.37 0.00 0.00 177.43 178.12 3bvl h PHE 119 N 0.97 1.08 0.00 0.67 3.04 -0.97 -2.97 116.94 118.76 3bvl h PHE 119 Ca 0.27 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.23 3bvl h PHE 119 Cb -0.09 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 38.06 3bvl h PHE 119 CO -0.03 0.71 0.00 1.28 -2.02 0.00 0.00 178.31 178.25 3bvl n LEU 120 N -4.46 0.00 -0.08 0.59 4.77 -0.76 -3.98 117.00 113.07 3bvl n LEU 120 Ca 0.08 0.09 -0.09 0.00 -0.03 0.00 0.00 56.01 56.06 3bvl n LEU 120 Cb 0.04 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.10 3bvl n LEU 120 CO 0.37 -0.03 0.63 1.56 -1.33 0.00 0.00 177.39 178.59 3bvl h GLN 121 N 0.00 0.77 -0.30 3.23 1.08 -1.56 -0.35 115.11 117.98 3bvl h GLN 121 Ca 0.00 -0.36 -0.00 0.00 -1.45 0.00 0.00 58.65 56.84 3bvl h GLN 121 Cb 0.06 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 3bvl h GLN 121 CO 0.00 0.98 0.18 0.11 -0.95 0.00 0.00 178.83 179.16 3bvl h TRP 122 N 0.65 0.39 -0.00 2.96 5.08 -1.82 -1.94 115.95 121.26 3bvl h TRP 122 Ca 0.07 0.01 -0.15 0.00 1.08 0.00 0.00 58.89 59.90 3bvl h TRP 122 Cb 0.85 -0.13 0.01 0.00 -3.00 0.00 0.00 29.16 26.89 3bvl h TRP 122 CO 0.04 0.26 -0.57 -0.92 -1.28 0.00 0.00 178.44 175.98 3bvl h TYR 123 N 0.41 0.58 -0.11 0.12 3.20 -1.60 0.22 116.97 119.79 3bvl h TYR 123 Ca 0.11 -0.31 0.03 0.00 3.14 0.00 0.00 58.73 61.70 3bvl h TYR 123 Cb -0.02 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.15 3bvl h TYR 123 CO 0.00 1.13 -0.10 0.28 -1.64 0.00 0.00 178.16 177.83 3bvl h VAL 124 N -0.13 0.72 -0.47 1.81 2.07 -0.99 -0.14 116.25 119.12 3bvl h VAL 124 Ca -0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3bvl h VAL 124 Cb 1.28 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 3bvl h VAL 124 CO 0.11 0.00 0.25 0.00 0.02 0.00 0.00 177.57 177.95 3bvl h ALA 125 N 0.97 0.60 -0.35 1.67 0.00 -1.32 -1.32 119.26 119.52 3bvl h ALA 125 Ca 0.08 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3bvl h ALA 125 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3bvl h ALA 125 CO -0.18 0.14 -0.27 0.93 0.00 0.00 0.00 179.25 179.86 3bvl h GLU 126 N 0.61 0.80 -0.68 0.00 5.08 -0.84 -2.53 114.58 117.04 3bvl h GLU 126 Ca 0.16 -0.39 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 3bvl h GLU 126 Cb 0.07 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3bvl h GLU 126 CO -0.02 1.03 0.16 0.37 -1.00 0.00 0.00 179.01 179.54 3bvl h GLN 127 N 0.59 1.09 -0.60 2.33 5.75 -0.94 -1.43 115.11 121.90 3bvl h GLN 127 Ca 0.07 -0.26 0.05 0.00 -0.15 0.00 0.00 58.65 58.35 3bvl h GLN 127 Cb 0.84 -0.14 -0.05 0.00 1.07 0.00 0.00 27.48 29.20 3bvl h GLN 127 CO 0.07 0.97 0.32 1.25 -2.65 0.00 0.00 178.83 178.79 3bvl h HIS 128 N 1.02 0.60 -0.74 3.99 2.76 -1.17 0.17 115.15 121.77 3bvl h HIS 128 Ca 0.21 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.42 3bvl h HIS 128 Cb 0.37 -0.18 -0.04 0.00 1.55 0.00 0.00 27.41 29.11 3bvl h HIS 128 CO 0.03 0.29 0.48 1.49 -1.30 0.00 0.00 177.93 178.92 3bvl h GLU 129 N 0.61 0.93 -0.30 5.26 4.22 -1.06 -0.95 114.58 123.30 3bvl h GLU 129 Ca 0.27 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.62 3bvl h GLU 129 Cb 0.16 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3bvl h GLU 129 CO -0.17 0.62 0.06 0.93 -2.18 0.00 0.00 179.01 178.27 3bvl h GLU 130 N 0.96 0.48 -0.54 1.92 5.08 -0.43 -0.65 114.58 121.40 3bvl h GLU 130 Ca 0.28 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3bvl h GLU 130 Cb -0.05 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 3bvl h GLU 130 CO -0.08 0.56 0.36 1.49 -1.00 0.00 0.00 179.01 180.34 3bvl h GLU 131 N 0.31 0.71 -0.62 2.33 4.81 -0.42 -1.14 114.58 120.56 3bvl h GLU 131 Ca 0.09 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3bvl h GLU 131 Cb 0.31 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3bvl h GLU 131 CO 0.00 0.47 0.41 0.28 -0.73 0.00 0.00 179.01 179.44 3bvl h VAL 132 N 0.73 1.16 -0.49 0.32 2.07 -1.10 -1.64 116.25 117.30 3bvl h VAL 132 Ca 0.20 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3bvl h VAL 132 Cb -0.07 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 3bvl h VAL 132 CO -0.05 0.15 0.31 0.25 0.02 0.00 0.00 177.57 178.25 3bvl h LEU 133 N 0.84 0.58 -0.82 2.57 5.85 -0.53 -0.12 115.31 123.68 3bvl h LEU 133 Ca 0.23 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 3bvl h LEU 133 Cb -0.10 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3bvl h LEU 133 CO -0.05 0.44 -0.32 -0.26 -0.34 0.00 0.00 178.44 177.92 3bvl h PHE 134 N 0.66 0.59 -0.35 1.25 -1.00 -1.07 -0.81 116.94 116.21 3bvl h PHE 134 Ca 0.18 -0.15 0.03 0.00 2.81 0.00 0.00 57.97 60.84 3bvl h PHE 134 Cb -0.04 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 39.35 3bvl h PHE 134 CO -0.03 0.78 0.17 -0.22 -1.61 0.00 0.00 178.31 177.39 3bvl h LYS 135 N 0.44 0.34 -0.60 1.51 3.11 -0.91 -1.26 116.57 119.21 3bvl h LYS 135 Ca 0.05 -0.02 -0.07 0.00 -2.81 0.00 0.00 60.65 57.80 3bvl h LYS 135 Cb 0.77 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.90 3bvl h LYS 135 CO 0.06 0.22 0.10 -0.44 -2.81 0.00 0.00 179.45 176.59 3bvl h ASP 136 N 0.35 0.95 -0.21 4.20 3.32 -0.58 -0.45 116.42 123.99 3bvl h ASP 136 Ca 0.15 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 3bvl h ASP 136 Cb 0.07 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3bvl h ASP 136 CO -0.11 0.97 -0.03 0.40 -1.72 0.00 0.00 179.24 178.75 3bvl h ILE 137 N 0.90 1.27 -0.36 0.35 2.04 -1.09 -1.46 117.51 119.15 3bvl h ILE 137 Ca 0.18 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 65.10 3bvl h ILE 137 Cb 0.42 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 3bvl h ILE 137 CO 0.01 0.29 0.22 0.25 0.00 0.00 0.00 178.15 178.92 3bvl h LEU 138 N 0.12 0.35 -0.67 1.44 5.85 -1.16 0.73 115.31 121.98 3bvl h LEU 138 Ca 0.06 0.00 0.13 0.00 0.84 0.00 0.00 57.88 58.91 3bvl h LEU 138 Cb 0.45 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 41.31 3bvl h LEU 138 CO 0.02 0.26 0.14 0.44 -0.34 0.00 0.00 178.44 178.96 3bvl h ASP 139 N 0.44 -0.01 -0.30 1.25 3.45 -1.00 -1.13 116.42 119.12 3bvl h ASP 139 Ca 0.14 0.13 -0.18 0.00 0.43 0.00 0.00 57.03 57.55 3bvl h ASP 139 Cb -0.01 0.18 -0.00 0.00 -0.56 0.00 0.00 39.33 38.94 3bvl h ASP 139 CO -0.06 -0.02 -0.51 0.50 -1.57 0.00 0.00 179.24 177.58 3bvl h LYS 140 N 0.26 0.87 -0.41 3.56 1.63 -0.41 -0.97 116.57 121.09 3bvl h LYS 140 Ca 0.36 -0.54 0.03 0.00 -0.85 0.00 0.00 60.65 59.65 3bvl h LYS 140 Cb 0.58 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.23 3bvl h LYS 140 CO -0.46 1.18 0.22 0.82 -3.45 0.00 0.00 179.45 177.76 3bvl h ILE 141 N 0.65 1.00 -0.15 2.00 2.04 -0.60 -1.24 117.51 121.22 3bvl h ILE 141 Ca 0.02 -0.15 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 3bvl h ILE 141 Cb 1.12 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3bvl h ILE 141 CO 0.12 0.08 -0.35 -0.33 0.00 0.00 0.00 178.15 177.67 3bvl h GLU 142 N 0.45 0.31 -0.37 2.37 5.08 -1.07 -1.55 114.58 119.79 3bvl h GLU 142 Ca 0.17 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3bvl h GLU 142 Cb 0.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3bvl h GLU 142 CO -0.11 0.62 -0.05 1.25 -1.00 0.00 0.00 179.01 179.73 3bvl h LEU 143 N 0.26 0.68 -0.18 1.33 5.85 -0.88 -3.25 115.31 119.13 3bvl h LEU 143 Ca 0.03 -0.34 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 3bvl h LEU 143 Cb 0.75 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3bvl h LEU 143 CO 0.06 0.86 -0.01 0.40 -0.34 0.00 0.00 178.44 179.40 3bvl h ILE 144 N 0.49 1.27 0.00 4.05 2.04 -1.09 -3.50 117.51 120.77 3bvl h ILE 144 Ca 0.10 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.05 3bvl h ILE 144 Cb 0.54 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 3bvl h ILE 144 CO 0.03 0.27 0.00 0.61 0.00 0.00 0.00 178.15 179.06 3bvl n GLY 145 N -0.24 -2.63 0.35 5.37 0.00 -0.60 -4.75 105.19 102.69 3bvl n GLY 145 Ca -0.05 -1.66 0.04 0.00 0.00 0.00 0.00 46.02 44.35 3bvl n GLY 145 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bvl n ASN 146 N -0.43 1.73 -4.79 1.61 3.02 -1.26 -4.00 115.26 111.15 3bvl n ASN 146 Ca 0.00 -1.37 -0.31 0.00 -0.03 0.00 0.00 54.58 52.87 3bvl n ASN 146 Cb 0.00 -0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.24 3bvl n ASN 146 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3bvl s GLU 147 N -0.72 2.59 -0.19 3.52 2.02 -1.26 -4.58 118.70 120.08 3bvl s GLU 147 Ca 0.10 1.11 -0.40 0.00 0.02 0.00 0.00 54.97 55.80 3bvl s GLU 147 Cb 0.07 -1.94 -0.19 0.00 0.10 0.00 0.00 34.13 32.18 3bvl s GLU 147 CO 0.11 -1.38 1.19 -1.71 0.02 0.00 0.00 175.26 173.49 3bvl n ASN 148 N -3.24 0.46 0.00 -0.19 5.15 -1.26 -0.84 115.26 115.33 3bvl n ASN 148 Ca 0.09 1.09 0.00 0.00 -0.60 0.00 0.00 54.58 55.15 3bvl n ASN 148 Cb 0.53 -0.84 0.00 0.00 -0.53 0.00 0.00 39.78 38.94 3bvl n ASN 148 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3bvl n HIS 149 N 2.35 0.00 0.00 1.20 8.25 -1.26 -4.94 115.22 120.82 3bvl n HIS 149 Ca 0.23 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.59 3bvl n HIS 149 Cb 0.02 -0.14 -0.05 0.00 1.12 0.00 0.00 29.99 30.94 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 0.07 0.70 -1.41 0.00 -1.22 -0.33 103.07 100.88 3bvl h GLY 150 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.42 3bvl h GLY 150 CO 0.00 -0.04 0.24 1.41 0.00 0.00 0.00 176.54 178.14 3bvl h LEU 151 N -0.01 0.32 -0.24 3.11 3.38 -1.81 -0.54 115.31 119.53 3bvl h LEU 151 Ca 0.05 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3bvl h LEU 151 Cb 0.09 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3bvl h LEU 151 CO -0.11 0.23 0.12 0.22 0.09 0.00 0.00 178.44 178.99 3bvl h TYR 152 N 0.46 0.23 -0.59 1.13 3.20 -1.87 -0.30 116.97 119.23 3bvl h TYR 152 Ca 0.22 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.12 3bvl h TYR 152 Cb 0.15 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 3bvl h TYR 152 CO -0.11 0.13 0.37 -0.07 -1.64 0.00 0.00 178.16 176.84 3bvl h LEU 153 N 0.26 0.62 -0.48 2.82 3.38 -0.77 -0.93 115.31 120.20 3bvl h LEU 153 Ca 0.09 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3bvl h LEU 153 Cb 0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3bvl h LEU 153 CO -0.06 0.44 0.15 0.00 0.09 0.00 0.00 178.44 179.05 3bvl h ALA 154 N 1.24 0.63 -0.73 1.53 0.00 -0.92 -1.27 119.26 119.75 3bvl h ALA 154 Ca 0.23 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3bvl h ALA 154 Cb -0.02 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3bvl h ALA 154 CO -0.08 0.29 0.24 0.22 0.00 0.00 0.00 179.25 179.92 3bvl h ASP 155 N 0.65 1.04 -0.27 0.00 3.58 -0.77 -1.34 116.42 119.31 3bvl h ASP 155 Ca 0.16 -0.19 -0.10 0.00 0.42 0.00 0.00 57.03 57.32 3bvl h ASP 155 Cb 0.28 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 3bvl h ASP 155 CO -0.00 0.96 -0.16 1.56 -2.88 0.00 0.00 179.24 178.72 3bvl h GLN 156 N 1.08 0.70 0.14 0.28 1.08 -1.00 0.85 115.11 118.24 3bvl h GLN 156 Ca 0.24 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3bvl h GLN 156 Cb 0.29 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 3bvl h GLN 156 CO -0.01 0.82 -0.07 -0.92 -0.95 0.00 0.00 178.83 177.71 3bvl h TYR 157 N 0.63 -0.17 -0.60 2.96 3.20 -0.92 -1.41 116.97 120.66 3bvl h TYR 157 Ca 0.10 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 3bvl h TYR 157 Cb 0.62 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 3bvl h TYR 157 CO 0.03 -0.06 0.30 0.28 -1.64 0.00 0.00 178.16 177.07 3bvl h VAL 158 N -0.24 1.19 -0.63 1.81 2.07 -1.07 -2.09 116.25 117.29 3bvl h VAL 158 Ca -0.02 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 67.02 3bvl h VAL 158 Cb 0.19 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 3bvl h VAL 158 CO 0.03 0.22 0.38 0.50 0.02 0.00 0.00 177.57 178.72 3bvl h LYS 159 N 0.83 0.72 -0.75 1.57 3.64 -0.56 -1.10 116.57 120.93 3bvl h LYS 159 Ca 0.21 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 3bvl h LYS 159 Cb 0.06 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.67 3bvl h LYS 159 CO -0.03 0.48 0.47 0.78 -2.27 0.00 0.00 179.45 178.87 3bvl h GLY 160 N 0.74 1.09 0.95 5.01 0.00 -0.59 -1.51 103.07 108.76 3bvl h GLY 160 Ca 0.26 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 3bvl h GLY 160 CO -0.11 0.29 0.08 -2.22 0.00 0.00 0.00 176.54 174.57 3bvl h ILE 161 N 0.91 1.08 -0.53 2.60 1.08 -1.06 -1.48 117.51 120.11 3bvl h ILE 161 Ca 0.31 -0.23 0.08 0.00 -0.39 0.00 0.00 64.86 64.63 3bvl h ILE 161 Cb 0.05 0.99 -0.06 0.00 -3.07 0.00 0.00 36.82 34.73 3bvl h ILE 161 CO -0.12 0.08 0.18 0.00 -0.69 0.00 0.00 178.15 177.59 3bvl h ALA 162 N 0.98 0.65 -0.57 1.87 0.00 -0.86 -1.76 119.26 119.57 3bvl h ALA 162 Ca 0.05 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3bvl h ALA 162 Cb 0.06 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3bvl h ALA 162 CO -0.01 -0.22 -0.01 0.87 0.00 0.00 0.00 179.25 179.88 3bvl h LYS 163 N 0.35 0.99 0.00 0.00 1.57 -1.18 -3.14 116.57 115.17 3bvl h LYS 163 Ca 0.26 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 3bvl h LYS 163 Cb 0.30 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3bvl h LYS 163 CO -0.27 0.98 -0.40 0.66 -0.57 0.00 0.00 179.45 179.85 3bvl h SER 164 N 0.91 0.00 0.38 0.86 4.64 -0.69 -3.08 113.55 116.56 3bvl h SER 164 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3bvl h SER 164 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 3bvl h SER 164 CO 0.03 0.40 -0.16 0.54 -0.87 0.00 0.00 176.83 176.77 3bvl n ARG 165 N -3.60 0.64 0.00 4.77 1.74 -0.71 -5.10 116.66 114.40 3bvl n ARG 165 Ca -0.00 -0.26 0.15 0.00 -0.77 0.00 0.00 57.85 56.96 3bvl n ARG 165 Cb 0.51 -1.49 0.89 0.00 -1.02 0.00 0.00 32.46 31.34 3bvl n ARG 165 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74