#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 3.42 0.03 -1.40 2.46 -1.26 -5.09 115.29 113.46 3bvl s HIS 1004Ca 0.00 0.64 0.02 0.00 0.47 0.00 0.00 55.06 56.19 3bvl s HIS 1004Cb 0.00 -2.46 -0.04 0.00 -0.13 0.00 0.00 32.58 29.95 3bvl s HIS 1004CO 0.00 0.10 0.03 -1.12 -2.47 0.00 0.00 174.74 171.28 3bvl s SER 1003N 0.79 5.28 0.52 9.88 0.01 -1.26 -5.10 113.70 123.82 3bvl s SER 1003Ca 0.19 -0.01 -0.22 0.00 1.31 0.00 0.00 55.95 57.22 3bvl s SER 1003Cb -0.14 -1.39 -0.06 0.00 0.21 0.00 0.00 66.02 64.64 3bvl s SER 1003CO 0.07 0.24 1.25 -1.10 0.41 0.00 0.00 173.24 174.11 3bvl s GLN 1002N -1.88 3.37 0.88 12.44 -1.52 -1.26 -4.99 119.66 126.71 3bvl s GLN 1002Ca 0.23 1.96 -0.11 0.00 -1.95 0.00 0.00 55.36 55.50 3bvl s GLN 1002Cb -0.12 -2.26 0.13 0.00 -0.22 0.00 0.00 33.01 30.54 3bvl s GLN 1002CO 0.15 -0.92 1.17 -0.51 -0.25 0.00 0.00 175.29 174.92 3bvl s ASP 1001N -1.24 3.08 0.31 5.90 1.01 -1.26 -4.93 116.67 119.54 3bvl s ASP 1001Ca 0.69 2.26 -0.28 0.00 0.71 0.00 0.00 52.55 55.93 3bvl s ASP 1001Cb -0.34 -2.58 -0.13 0.00 1.01 0.00 0.00 42.92 40.89 3bvl s ASP 1001CO 0.39 -3.00 1.20 -2.65 0.21 0.00 0.00 175.17 171.33 3bvl n PRO 0 N -3.96 1.83 0.00 8.23 -0.02 -1.24 -4.83 135.00 135.01 3bvl n PRO 0 Ca 0.12 0.64 0.13 0.00 -2.02 0.00 0.00 63.50 62.38 3bvl n PRO 0 Cb 0.52 -2.16 0.38 0.00 -0.02 0.00 0.00 33.50 32.22 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 0.80 1.14 -4.21 -0.52 2.81 0.19 -4.87 117.12 112.46 3bvl n MET 1 Ca 0.07 -0.71 -0.25 0.00 -1.81 0.00 0.00 57.70 55.00 3bvl n MET 1 Cb 0.34 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 31.29 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 -2.35 3.35 0.70 4.03 1.43 -1.26 -5.12 118.68 119.47 3bvl s LEU 2 Ca 0.28 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.83 3bvl s LEU 2 Cb 0.20 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.47 3bvl s LEU 2 CO 0.47 0.06 1.10 -0.94 0.23 0.00 0.00 176.35 177.26 3bvl s SER 3 N -3.17 4.90 0.25 2.29 1.04 -1.26 -4.83 113.70 112.93 3bvl s SER 3 Ca 0.29 1.90 -0.03 0.00 0.48 0.00 0.00 55.95 58.59 3bvl s SER 3 Cb -0.09 -2.54 0.43 0.00 0.10 0.00 0.00 66.02 63.93 3bvl s SER 3 CO 0.20 -1.77 1.80 0.11 0.98 0.00 0.00 173.24 174.56 3bvl h LYS 4 N -0.46 0.74 -0.44 4.02 1.57 -1.99 -0.64 116.57 119.38 3bvl h LYS 4 Ca -0.45 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.23 3bvl h LYS 4 Cb 1.24 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 3bvl h LYS 4 CO 0.53 0.49 0.09 -0.44 -0.57 0.00 0.00 179.45 179.55 3bvl h ASP 5 N 0.77 0.69 -0.46 0.86 3.32 -1.99 -0.98 116.42 118.62 3bvl h ASP 5 Ca 0.41 -0.25 -0.11 0.00 0.02 0.00 0.00 57.03 57.11 3bvl h ASP 5 Cb 0.42 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3bvl h ASP 5 CO -0.27 0.76 -0.13 0.40 -1.72 0.00 0.00 179.24 178.28 3bvl h ILE 6 N 0.59 1.27 -0.36 0.35 1.08 -1.85 -1.63 117.51 116.95 3bvl h ILE 6 Ca 0.14 -1.26 0.05 0.00 -0.39 0.00 0.00 64.86 63.40 3bvl h ILE 6 Cb 0.35 1.12 -0.04 0.00 -3.07 0.00 0.00 36.82 35.18 3bvl h ILE 6 CO 0.01 0.43 0.10 0.40 -0.69 0.00 0.00 178.15 178.40 3bvl h ILE 7 N 0.74 0.86 0.14 -0.67 2.04 -1.01 0.25 117.51 119.85 3bvl h ILE 7 Ca 0.11 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3bvl h ILE 7 Cb 0.68 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3bvl h ILE 7 CO 0.05 0.04 -0.12 0.50 0.00 0.00 0.00 178.15 178.62 3bvl h LYS 8 N 0.23 -0.26 -0.82 2.37 3.64 -1.01 -1.28 116.57 119.44 3bvl h LYS 8 Ca 0.17 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3bvl h LYS 8 Cb 0.17 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 3bvl h LYS 8 CO -0.20 -0.17 0.47 -0.07 -2.27 0.00 0.00 179.45 177.21 3bvl h LEU 9 N -0.27 1.00 -0.30 5.20 3.38 -1.09 -0.82 115.31 122.41 3bvl h LEU 9 Ca -0.00 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 3bvl h LEU 9 Cb 0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3bvl h LEU 9 CO -0.02 0.80 -0.19 -0.07 0.09 0.00 0.00 178.44 179.05 3bvl h LEU 10 N 1.13 0.69 -0.71 1.67 3.38 -0.84 -1.67 115.31 118.97 3bvl h LEU 10 Ca 0.29 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3bvl h LEU 10 Cb 0.00 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3bvl h LEU 10 CO -0.05 0.97 0.39 0.78 0.09 0.00 0.00 178.44 180.62 3bvl h ASN 11 N 0.41 0.88 -0.87 -0.43 -0.26 -1.11 -1.16 115.58 113.05 3bvl h ASN 11 Ca 0.06 -0.10 0.05 0.00 -0.56 0.00 0.00 56.30 55.76 3bvl h ASN 11 Cb 0.73 -0.23 -0.05 0.00 -1.06 0.00 0.00 38.32 37.71 3bvl h ASN 11 CO 0.05 0.73 0.57 -0.33 -1.06 0.00 0.00 177.43 177.39 3bvl h GLU 12 N 0.97 0.99 -0.34 0.81 5.08 -1.07 -2.36 114.58 118.66 3bvl h GLU 12 Ca 0.25 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.40 3bvl h GLU 12 Cb 0.04 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3bvl h GLU 12 CO -0.04 0.65 -0.38 0.37 -1.00 0.00 0.00 179.01 178.61 3bvl h GLN 13 N 1.02 0.81 -0.21 2.33 5.75 -0.60 0.38 115.11 124.59 3bvl h GLN 13 Ca 0.36 -0.42 0.03 0.00 -0.15 0.00 0.00 58.65 58.48 3bvl h GLN 13 Cb 0.14 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.66 3bvl h GLN 13 CO -0.12 1.05 -0.01 0.28 -2.65 0.00 0.00 178.83 177.38 3bvl h VAL 14 N 0.67 0.85 -0.57 2.39 2.07 -0.94 -1.04 116.25 119.67 3bvl h VAL 14 Ca 0.06 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 3bvl h VAL 14 Cb 0.94 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 3bvl h VAL 14 CO 0.09 0.01 0.13 0.78 0.02 0.00 0.00 177.57 178.60 3bvl h ASN 15 N 0.06 0.83 -0.61 0.57 2.35 -1.16 -1.90 115.58 115.71 3bvl h ASN 15 Ca 0.10 -0.15 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3bvl h ASN 15 Cb 0.13 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 3bvl h ASN 15 CO -0.17 0.81 0.37 0.11 -1.65 0.00 0.00 177.43 176.90 3bvl h LYS 16 N 0.85 0.71 -0.32 0.81 1.57 -0.56 -0.82 116.57 118.81 3bvl h LYS 16 Ca 0.18 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 3bvl h LYS 16 Cb 0.31 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3bvl h LYS 16 CO -0.00 0.47 -0.29 0.93 -0.57 0.00 0.00 179.45 179.99 3bvl h GLU 17 N 0.73 0.67 -0.56 3.15 4.39 -0.85 0.19 114.58 122.30 3bvl h GLU 17 Ca 0.25 -0.29 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 3bvl h GLU 17 Cb 0.03 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 3bvl h GLU 17 CO -0.11 0.88 0.13 0.52 -1.16 0.00 0.00 179.01 179.28 3bvl h MET 18 N 0.57 0.89 -0.30 2.33 2.86 -1.12 -0.37 114.93 119.80 3bvl h MET 18 Ca 0.07 -0.22 -0.10 0.00 -2.06 0.00 0.00 59.70 57.39 3bvl h MET 18 Cb 0.79 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 3bvl h MET 18 CO 0.06 0.84 -0.24 -0.91 1.06 0.00 0.00 176.91 177.72 3bvl h ASN 19 N 0.79 0.58 -0.48 1.22 2.35 -0.96 -2.42 115.58 116.68 3bvl h ASN 19 Ca 0.17 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3bvl h ASN 19 Cb 0.35 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 3bvl h ASN 19 CO 0.00 0.82 0.25 -1.28 -1.65 0.00 0.00 177.43 175.56 3bvl h SER 20 N 0.51 0.61 -0.29 5.81 0.87 -0.64 -0.91 113.55 119.51 3bvl h SER 20 Ca 0.07 -0.11 0.06 0.00 -1.23 0.00 0.00 61.79 60.58 3bvl h SER 20 Cb 0.69 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.44 3bvl h SER 20 CO 0.05 0.55 -0.07 -1.28 -0.53 0.00 0.00 176.83 175.55 3bvl h SER 21 N 0.63 -0.27 -0.28 6.23 0.87 -0.88 -1.06 113.55 118.78 3bvl h SER 21 Ca 0.17 0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.84 3bvl h SER 21 Cb 0.09 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 3bvl h SER 21 CO -0.02 -0.10 0.11 0.78 -0.53 0.00 0.00 176.83 177.07 3bvl h ASN 22 N 0.00 0.14 -0.22 6.23 2.35 -1.12 -0.90 115.58 122.07 3bvl h ASN 22 Ca 0.14 0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.96 3bvl h ASN 22 Cb 0.21 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 3bvl h ASN 22 CO -0.30 0.12 -0.09 0.25 -1.65 0.00 0.00 177.43 175.75 3bvl h LEU 23 N 0.25 -0.32 -1.02 1.61 5.85 -0.85 -1.10 115.31 119.73 3bvl h LEU 23 Ca 0.12 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 3bvl h LEU 23 Cb 0.08 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3bvl h LEU 23 CO -0.11 -0.12 -0.03 1.88 -0.34 0.00 0.00 178.44 179.72 3bvl h TYR 24 N -0.06 0.71 -0.88 1.25 0.05 -1.03 0.29 116.97 117.30 3bvl h TYR 24 Ca 0.11 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 3bvl h TYR 24 Cb 0.23 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.74 3bvl h TYR 24 CO -0.26 0.69 0.49 0.52 -1.05 0.00 0.00 178.16 178.55 3bvl h MET 25 N 0.62 1.22 -0.29 4.88 2.86 -0.84 0.11 114.93 123.49 3bvl h MET 25 Ca 0.12 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 3bvl h MET 25 Cb 0.43 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3bvl h MET 25 CO 0.02 0.88 -0.07 1.03 1.06 0.00 0.00 176.91 179.83 3bvl h SER 26 N 1.22 0.57 -0.72 1.22 0.87 -0.59 -1.42 113.55 114.70 3bvl h SER 26 Ca 0.31 -0.36 -0.02 0.00 -1.23 0.00 0.00 61.79 60.49 3bvl h SER 26 Cb 0.01 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 3bvl h SER 26 CO -0.05 0.80 0.37 0.24 -0.53 0.00 0.00 176.83 177.66 3bvl h MET 27 N 0.33 1.03 -0.38 2.24 2.07 -0.82 -2.00 114.93 117.39 3bvl h MET 27 Ca 0.07 -0.14 0.03 0.00 -2.07 0.00 0.00 59.70 57.60 3bvl h MET 27 Cb 0.55 -0.19 -0.03 0.00 -1.87 0.00 0.00 31.60 30.06 3bvl h MET 27 CO 0.03 0.79 0.19 1.03 1.07 0.00 0.00 176.91 180.02 3bvl h SER 28 N 1.00 0.28 -0.67 1.22 0.87 -0.66 -2.11 113.55 113.48 3bvl h SER 28 Ca 0.25 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 3bvl h SER 28 Cb 0.08 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 3bvl h SER 28 CO -0.04 0.20 0.37 -1.28 -0.53 0.00 0.00 176.83 175.56 3bvl h SER 29 N 0.39 0.84 -0.27 6.23 0.87 -1.05 0.17 113.55 120.73 3bvl h SER 29 Ca 0.16 -0.10 0.05 0.00 -1.23 0.00 0.00 61.79 60.67 3bvl h SER 29 Cb 0.07 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 61.77 3bvl h SER 29 CO -0.11 0.70 -0.04 -0.25 -0.53 0.00 0.00 176.83 176.60 3bvl h TRP 30 N 0.92 -0.08 -0.13 2.24 7.01 -1.12 -0.83 115.95 123.97 3bvl h TRP 30 Ca 0.24 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.26 3bvl h TRP 30 Cb 0.04 0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.17 3bvl h TRP 30 CO -0.01 -0.08 0.08 0.00 -2.79 0.00 0.00 178.44 175.64 3bvl h TYR 32 N 0.16 0.94 -0.01 0.00 -1.99 -0.66 0.36 116.97 115.78 3bvl h TYR 32 Ca 0.05 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.80 3bvl h TYR 32 Cb -0.02 -0.31 0.00 0.00 2.00 0.00 0.00 36.73 38.40 3bvl h TYR 32 CO -0.07 0.50 -0.05 0.25 -0.00 0.00 0.00 178.16 178.79 3bvl n THR 33 N -4.48 0.00 -1.62 -2.88 -2.24 -0.34 -3.37 114.28 99.34 3bvl n THR 33 Ca 0.12 -0.12 0.05 0.00 -2.27 0.00 0.00 64.05 61.84 3bvl n THR 33 Cb 0.20 0.04 0.20 0.00 -2.10 0.00 0.00 70.33 68.67 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 -0.55 0.06 -1.35 4.78 8.25 -0.70 -4.98 115.22 120.74 3bvl n HIS 34 Ca 0.18 -1.50 -0.12 0.00 -0.26 0.00 0.00 57.72 56.02 3bvl n HIS 34 Cb 0.26 -0.25 -0.05 0.00 1.12 0.00 0.00 29.99 31.07 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 -1.09 -4.74 -3.73 0.41 7.64 -1.12 -4.94 113.62 106.05 3bvl n SER 35 Ca 0.19 0.30 -0.36 0.00 1.01 0.00 0.00 58.87 60.01 3bvl n SER 35 Cb 0.70 -3.29 -0.03 0.00 -1.01 0.00 0.00 64.21 60.58 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 -1.36 5.36 0.25 -3.43 4.77 0.03 -4.85 117.00 117.77 3bvl n LEU 36 Ca -0.12 -5.33 0.14 0.00 -0.03 0.00 0.00 56.01 50.67 3bvl n LEU 36 Cb 0.44 -1.01 0.45 0.00 -2.33 0.00 0.00 43.42 40.97 3bvl n LEU 36 CO 0.18 1.87 0.89 -2.24 -1.33 0.00 0.00 177.39 176.76 3bvl h ASP 37 N 4.82 0.00 0.37 -1.43 2.03 -1.87 0.14 116.42 120.48 3bvl h ASP 37 Ca 0.21 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.49 3bvl h ASP 37 Cb 0.62 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 3bvl h ASP 37 CO 1.12 0.04 -0.18 1.23 -1.03 0.00 0.00 179.24 180.43 3bvl h GLY 38 N 2.82 -0.51 1.26 7.15 0.00 -1.89 -0.28 103.07 111.61 3bvl h GLY 38 Ca -0.00 0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.48 3bvl h GLY 38 CO 0.01 -0.19 0.21 0.00 0.00 0.00 0.00 176.54 176.57 3bvl h ALA 39 N -0.18 1.19 -0.25 3.60 0.00 -1.72 -1.76 119.26 120.14 3bvl h ALA 39 Ca -0.05 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.72 3bvl h ALA 39 Cb 0.50 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3bvl h ALA 39 CO 0.08 0.57 -0.09 0.78 0.00 0.00 0.00 179.25 180.60 3bvl h GLY 40 N 1.02 0.15 0.81 0.00 0.00 -0.89 -0.84 103.07 103.32 3bvl h GLY 40 Ca 0.21 0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.64 3bvl h GLY 40 CO -0.01 -0.12 0.02 -2.00 0.00 0.00 0.00 176.54 174.44 3bvl h LEU 41 N -0.04 0.17 -0.38 3.11 5.85 -0.84 -1.22 115.31 121.97 3bvl h LEU 41 Ca 0.13 -0.24 0.07 0.00 0.84 0.00 0.00 57.88 58.67 3bvl h LEU 41 Cb 0.23 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 3bvl h LEU 41 CO -0.28 0.37 0.01 0.15 -0.34 0.00 0.00 178.44 178.35 3bvl h PHE 42 N -0.03 -0.00 -0.25 1.25 3.57 -1.17 -0.75 116.94 119.56 3bvl h PHE 42 Ca 0.03 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.40 3bvl h PHE 42 Cb 0.27 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 3bvl h PHE 42 CO 0.01 -0.06 -0.50 -0.07 -2.23 0.00 0.00 178.31 175.46 3bvl h LEU 43 N 0.11 0.75 -0.27 0.59 3.38 -1.11 -0.61 115.31 118.16 3bvl h LEU 43 Ca 0.18 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.79 3bvl h LEU 43 Cb 0.25 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3bvl h LEU 43 CO -0.30 1.12 0.13 0.15 0.09 0.00 0.00 178.44 179.63 3bvl h PHE 44 N 0.54 0.24 -0.27 1.13 3.57 -0.99 0.13 116.94 121.29 3bvl h PHE 44 Ca 0.02 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 3bvl h PHE 44 Cb 1.06 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 3bvl h PHE 44 CO 0.05 0.13 -0.23 -0.44 -2.23 0.00 0.00 178.31 175.60 3bvl h ASP 45 N 0.28 0.50 -0.45 0.41 3.32 -0.97 -2.11 116.42 117.40 3bvl h ASP 45 Ca 0.11 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 3bvl h ASP 45 Cb 0.03 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3bvl h ASP 45 CO -0.08 0.73 -0.10 -0.74 -1.72 0.00 0.00 179.24 177.34 3bvl h HIS 46 N 0.45 0.97 -0.51 4.55 2.76 -0.89 -2.39 115.15 120.09 3bvl h HIS 46 Ca 0.07 -0.21 0.06 0.00 -2.20 0.00 0.00 60.37 58.09 3bvl h HIS 46 Cb 0.65 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 29.31 3bvl h HIS 46 CO 0.02 0.96 0.21 0.00 -1.30 0.00 0.00 177.93 177.83 3bvl h ALA 47 N 0.88 0.65 -0.90 5.26 0.00 -0.65 -1.58 119.26 122.91 3bvl h ALA 47 Ca 0.12 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3bvl h ALA 47 Cb 0.64 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 3bvl h ALA 47 CO 0.04 -0.17 0.60 0.00 0.00 0.00 0.00 179.25 179.72 3bvl h ALA 48 N 1.32 1.40 -0.14 0.00 0.00 -1.29 -1.91 119.26 118.64 3bvl h ALA 48 Ca 0.24 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3bvl h ALA 48 Cb 0.23 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3bvl h ALA 48 CO -0.22 0.52 -0.19 0.93 0.00 0.00 0.00 179.25 180.29 3bvl h GLU 49 N 1.16 0.24 -0.49 0.00 4.39 -0.79 -1.97 114.58 117.12 3bvl h GLU 49 Ca 0.35 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.90 3bvl h GLU 49 Cb -0.03 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.57 3bvl h GLU 49 CO -0.10 0.43 -0.02 0.93 -1.16 0.00 0.00 179.01 179.09 3bvl h GLU 50 N 0.22 0.89 -0.84 2.33 4.39 -0.54 -1.78 114.58 119.25 3bvl h GLU 50 Ca 0.04 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 3bvl h GLU 50 Cb 0.48 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 3bvl h GLU 50 CO 0.03 0.93 0.50 -0.92 -1.16 0.00 0.00 179.01 178.39 3bvl h TYR 51 N 0.75 1.11 -0.93 4.33 3.20 -1.21 -1.24 116.97 122.97 3bvl h TYR 51 Ca 0.14 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.03 3bvl h TYR 51 Cb 0.54 -0.36 -0.05 0.00 1.54 0.00 0.00 36.73 38.40 3bvl h TYR 51 CO 0.04 0.74 0.61 0.93 -1.64 0.00 0.00 178.16 178.84 3bvl h GLU 52 N 1.16 1.15 -0.31 1.82 4.39 -1.04 -0.10 114.58 121.65 3bvl h GLU 52 Ca 0.30 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3bvl h GLU 52 Cb -0.03 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.34 3bvl h GLU 52 CO -0.05 0.76 0.20 0.45 -1.16 0.00 0.00 179.01 179.21 3bvl h HIS 53 N 1.19 0.40 -0.71 4.33 3.86 -0.66 -1.74 115.15 121.82 3bvl h HIS 53 Ca 0.37 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.65 3bvl h HIS 53 Cb -0.02 -0.13 -0.06 0.00 1.06 0.00 0.00 27.41 28.26 3bvl h HIS 53 CO -0.01 0.28 0.39 0.00 0.86 0.00 0.00 177.93 179.45 3bvl h ALA 54 N 1.09 0.96 -0.62 2.45 0.00 -0.64 -1.50 119.26 121.01 3bvl h ALA 54 Ca 0.11 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3bvl h ALA 54 Cb -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3bvl h ALA 54 CO -0.02 0.06 0.28 0.87 0.00 0.00 0.00 179.25 180.43 3bvl h LYS 55 N 0.71 0.90 -0.60 0.00 1.57 -0.73 -0.74 116.57 117.68 3bvl h LYS 55 Ca 0.33 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 3bvl h LYS 55 Cb 0.24 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3bvl h LYS 55 CO -0.20 0.74 0.12 0.87 -0.57 0.00 0.00 179.45 180.41 3bvl h LYS 56 N 0.86 0.96 -0.40 3.15 1.57 -0.89 -0.29 116.57 121.52 3bvl h LYS 56 Ca 0.21 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3bvl h LYS 56 Cb 0.15 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3bvl h LYS 56 CO -0.02 0.87 0.10 -0.07 -0.57 0.00 0.00 179.45 179.75 3bvl h LEU 57 N 0.91 0.61 -0.60 2.94 3.38 -1.05 -2.55 115.31 118.95 3bvl h LEU 57 Ca 0.19 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.98 3bvl h LEU 57 Cb 0.36 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3bvl h LEU 57 CO 0.00 0.68 0.32 0.40 0.09 0.00 0.00 178.44 179.94 3bvl h ILE 58 N 0.50 0.96 -0.57 1.22 2.04 -0.80 -1.22 117.51 119.64 3bvl h ILE 58 Ca 0.13 -0.21 0.06 0.00 1.00 0.00 0.00 64.86 65.84 3bvl h ILE 58 Cb 0.31 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 3bvl h ILE 58 CO 0.00 0.11 0.27 0.40 0.00 0.00 0.00 178.15 178.93 3bvl h ILE 59 N 0.61 0.90 -0.61 -0.67 2.04 -0.93 0.16 117.51 119.00 3bvl h ILE 59 Ca 0.27 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.91 3bvl h ILE 59 Cb 0.16 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 3bvl h ILE 59 CO -0.17 0.09 0.22 0.15 0.00 0.00 0.00 178.15 178.44 3bvl h PHE 60 N 0.51 0.95 -0.15 1.37 3.57 -1.04 -0.51 116.94 121.64 3bvl h PHE 60 Ca 0.27 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 3bvl h PHE 60 Cb 0.22 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3bvl h PHE 60 CO -0.12 0.77 0.09 -0.07 -2.23 0.00 0.00 178.31 176.75 3bvl h LEU 61 N 0.86 0.17 -0.55 0.59 3.38 -0.70 -2.69 115.31 116.37 3bvl h LEU 61 Ca 0.20 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.21 3bvl h LEU 61 Cb 0.24 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 3bvl h LEU 61 CO -0.01 0.16 0.22 0.78 0.09 0.00 0.00 178.44 179.68 3bvl h ASN 62 N 0.17 0.25 0.50 -0.43 2.35 -0.43 -1.08 115.58 116.92 3bvl h ASN 62 Ca 0.05 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 3bvl h ASN 62 Cb 0.01 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3bvl h ASN 62 CO -0.01 0.17 -0.20 1.05 -1.65 0.00 0.00 177.43 176.79 3bvl h GLU 63 N 0.42 0.00 -0.51 0.81 4.11 -0.96 -2.12 114.58 116.34 3bvl h GLU 63 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.70 3bvl h GLU 63 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3bvl h GLU 63 CO -0.25 0.20 0.00 0.09 0.07 0.00 0.00 179.01 179.12 3bvl n ASN 64 N -3.67 2.72 -2.90 3.06 3.02 -0.89 -4.93 115.26 111.67 3bvl n ASN 64 Ca -0.01 -2.03 -0.22 0.00 -0.03 0.00 0.00 54.58 52.29 3bvl n ASN 64 Cb 0.32 -0.35 0.02 0.00 -0.61 0.00 0.00 39.78 39.16 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 0.91 -5.69 -4.56 6.41 4.13 -0.80 -0.63 115.26 115.04 3bvl n ASN 65 Ca 0.17 -0.22 -0.37 0.00 1.68 0.00 0.00 54.58 55.84 3bvl n ASN 65 Cb 0.44 -4.65 -0.11 0.00 -1.54 0.00 0.00 39.78 33.92 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 -3.09 5.03 0.24 2.41 1.01 -0.46 -3.69 120.40 121.85 3bvl s VAL 66 Ca 0.24 0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.98 3bvl s VAL 66 Cb -0.11 -3.38 -0.12 0.00 0.00 0.00 0.00 36.38 32.77 3bvl s VAL 66 CO 0.29 0.29 1.68 -2.65 0.00 0.00 0.00 175.10 174.71 3bvl n PRO 67 N 4.92 2.77 -2.68 2.72 -0.02 -1.26 -4.18 135.00 137.26 3bvl n PRO 67 Ca -0.15 0.99 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 3bvl n PRO 67 Cb 0.52 -2.82 -0.03 0.00 -0.02 0.00 0.00 33.50 31.15 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 0.75 4.75 -0.57 -1.45 1.01 -1.26 -5.02 120.40 118.61 3bvl s VAL 68 Ca 0.71 2.00 0.02 0.00 0.00 0.00 0.00 61.98 64.71 3bvl s VAL 68 Cb -0.50 -4.28 0.14 0.00 0.00 0.00 0.00 36.38 31.74 3bvl s VAL 68 CO 0.38 0.17 0.33 -1.10 0.00 0.00 0.00 175.10 174.88 3bvl s GLN 69 N 0.92 2.19 -0.14 2.72 -1.52 -1.26 -5.07 119.66 117.49 3bvl s GLN 69 Ca 0.52 -2.67 -0.28 0.00 -1.95 0.00 0.00 55.36 50.98 3bvl s GLN 69 Cb -0.22 -3.44 -0.01 0.00 -0.22 0.00 0.00 33.01 29.12 3bvl s GLN 69 CO 0.28 -1.14 0.93 -0.51 -0.25 0.00 0.00 175.29 174.60 3bvl s LEU 70 N -0.35 4.21 0.47 2.90 1.43 -1.26 -4.89 118.68 121.20 3bvl s LEU 70 Ca 0.18 1.38 0.03 0.00 -1.03 0.00 0.00 54.13 54.68 3bvl s LEU 70 Cb -0.23 -3.42 0.01 0.00 0.03 0.00 0.00 46.19 42.59 3bvl s LEU 70 CO -0.02 -0.43 0.68 0.42 0.23 0.00 0.00 176.35 177.22 3bvl s THR 71 N 2.09 3.28 0.48 5.49 -4.23 -1.26 -5.05 115.64 116.45 3bvl s THR 71 Ca 0.44 -0.71 -0.23 0.00 -1.18 0.00 0.00 61.69 60.01 3bvl s THR 71 Cb -0.17 -3.19 -0.08 0.00 1.34 0.00 0.00 72.50 70.39 3bvl s THR 71 CO 0.15 -0.12 1.12 -1.54 -0.54 0.00 0.00 174.62 173.69 3bvl n SER 72 N -2.10 1.69 -4.68 3.99 3.41 -1.26 -4.97 113.62 109.70 3bvl n SER 72 Ca 0.05 0.99 -0.37 0.00 -0.26 0.00 0.00 58.87 59.28 3bvl n SER 72 Cb 0.59 -1.43 -0.08 0.00 -0.26 0.00 0.00 64.21 63.03 3bvl n SER 72 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3bvl s ILE 73 N -1.32 5.26 -0.15 -1.33 -1.09 -1.26 -5.08 121.20 116.23 3bvl s ILE 73 Ca 0.67 0.54 -0.08 0.00 -2.23 0.00 0.00 60.65 59.55 3bvl s ILE 73 Cb -0.49 -3.65 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 3bvl s ILE 73 CO 0.54 0.30 0.13 -0.55 -1.23 0.00 0.00 174.94 174.13 3bvl s SER 74 N 0.94 6.28 0.11 3.58 0.15 -1.26 -5.05 113.70 118.44 3bvl s SER 74 Ca 0.16 0.35 -0.36 0.00 0.70 0.00 0.00 55.95 56.80 3bvl s SER 74 Cb -0.14 -2.07 -0.16 0.00 -1.71 0.00 0.00 66.02 61.94 3bvl s SER 74 CO 0.06 0.31 1.39 0.00 1.20 0.00 0.00 173.24 176.20 3bvl n ALA 75 N 2.67 -0.39 -1.37 5.45 0.00 -1.26 -4.94 120.51 120.66 3bvl n ALA 75 Ca -0.18 0.50 -0.32 0.00 0.00 0.00 0.00 53.44 53.44 3bvl n ALA 75 Cb 0.54 -2.14 0.07 0.00 0.00 0.00 0.00 19.45 17.92 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 0.54 2.50 0.25 0.00 0.04 -1.26 -4.98 135.00 132.09 3bvl s PRO 76 Ca 0.83 1.27 -0.31 0.00 0.04 0.00 0.00 61.00 62.83 3bvl s PRO 76 Cb -0.88 -1.92 -0.14 0.00 0.04 0.00 0.00 34.50 31.60 3bvl s PRO 76 CO 0.45 -1.47 1.33 -1.91 0.04 0.00 0.00 177.00 175.44 3bvl n GLU 77 N -3.03 1.87 0.00 4.56 2.13 -1.26 -4.91 120.64 120.01 3bvl n GLU 77 Ca 0.10 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.58 3bvl n GLU 77 Cb 0.53 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.97 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 1.53 0.00 -3.54 4.31 1.44 -1.26 -4.69 115.22 113.01 3bvl n HIS 78 Ca 0.11 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.45 3bvl n HIS 78 Cb 0.31 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.34 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 -1.33 4.14 0.08 -1.40 -0.14 -1.26 -4.88 119.74 114.94 3bvl s LYS 79 Ca 0.00 -0.05 0.02 0.00 -1.36 0.00 0.00 55.97 54.58 3bvl s LYS 79 Cb 0.00 -3.52 -0.04 0.00 -1.68 0.00 0.00 37.83 32.59 3bvl s LYS 79 CO 0.00 0.05 -0.06 -0.06 -0.76 0.00 0.00 175.35 174.52 3bvl s PHE 80 N 1.07 0.82 -0.05 3.18 0.40 -1.26 -5.07 117.98 117.07 3bvl s PHE 80 Ca 0.13 -0.86 0.13 0.00 -0.60 0.00 0.00 56.93 55.73 3bvl s PHE 80 Cb -0.14 -0.49 -0.23 0.00 0.51 0.00 0.00 43.02 42.68 3bvl s PHE 80 CO 0.05 -0.16 0.66 0.39 0.70 0.00 0.00 175.22 176.87 3bvl n GLU 81 N 0.22 0.63 -3.54 0.44 1.02 -1.26 -5.06 120.64 113.10 3bvl n GLU 81 Ca -0.14 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.29 3bvl n GLU 81 Cb 0.60 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 3bvl n GLU 81 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bvl n GLY 82 N 1.55 -2.03 0.12 0.62 0.00 -1.26 -5.00 105.19 99.20 3bvl n GLY 82 Ca -0.17 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.60 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 0.18 -0.28 0.99 6.46 -1.99 -1.60 115.31 119.07 3bvl h LEU 83 Ca 0.00 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.77 3bvl h LEU 83 Cb 0.00 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.89 3bvl h LEU 83 CO 0.00 0.14 0.16 0.74 -0.62 0.00 0.00 178.44 178.86 3bvl h THR 84 N 0.26 1.11 -0.88 1.05 2.02 -1.97 -2.16 112.91 112.35 3bvl h THR 84 Ca 0.10 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3bvl h THR 84 Cb 0.03 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 3bvl h THR 84 CO -0.07 0.11 0.56 -0.61 0.37 0.00 0.00 175.52 175.87 3bvl h GLN 85 N 0.35 1.18 -0.23 6.66 4.15 -1.91 0.09 115.11 125.39 3bvl h GLN 85 Ca 0.10 -0.09 0.02 0.00 0.77 0.00 0.00 58.65 59.45 3bvl h GLN 85 Cb 0.04 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.45 3bvl h GLN 85 CO -0.02 0.81 0.10 0.82 -1.93 0.00 0.00 178.83 178.61 3bvl h ILE 86 N 1.20 0.97 0.00 2.39 2.04 -0.96 -0.87 117.51 122.29 3bvl h ILE 86 Ca 0.32 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 66.04 3bvl h ILE 86 Cb -0.09 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3bvl h ILE 86 CO -0.06 0.04 -0.30 -0.26 0.00 0.00 0.00 178.15 177.56 3bvl h PHE 87 N 0.22 0.00 -0.15 1.37 0.04 -1.07 0.89 116.94 118.24 3bvl h PHE 87 Ca 0.10 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.84 3bvl h PHE 87 Cb 0.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 3bvl h PHE 87 CO -0.11 0.30 0.01 0.37 -0.60 0.00 0.00 178.31 178.29 3bvl h GLN 88 N 0.00 0.26 -0.63 1.51 5.75 -0.83 -0.91 115.11 120.26 3bvl h GLN 88 Ca -0.00 -0.08 -0.06 0.00 -0.15 0.00 0.00 58.65 58.36 3bvl h GLN 88 Cb 1.09 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.58 3bvl h GLN 88 CO 0.04 0.46 0.15 0.87 -2.65 0.00 0.00 178.83 177.70 3bvl h LYS 89 N 0.02 1.01 -0.30 1.69 1.57 -0.94 -2.13 116.57 117.49 3bvl h LYS 89 Ca 0.05 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 3bvl h LYS 89 Cb 0.34 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3bvl h LYS 89 CO 0.01 0.92 0.13 0.00 -0.57 0.00 0.00 179.45 179.94 3bvl h ALA 90 N 1.05 0.39 -0.66 3.86 0.00 -0.81 -0.57 119.26 122.53 3bvl h ALA 90 Ca 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3bvl h ALA 90 Cb 0.37 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3bvl h ALA 90 CO 0.00 -0.03 0.37 -0.92 0.00 0.00 0.00 179.25 178.68 3bvl h TYR 91 N 0.35 0.89 -0.88 0.00 3.20 -1.08 0.48 116.97 119.92 3bvl h TYR 91 Ca 0.10 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.97 3bvl h TYR 91 Cb 0.15 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.09 3bvl h TYR 91 CO -0.01 0.62 0.58 0.93 -1.64 0.00 0.00 178.16 178.64 3bvl h GLU 92 N 0.89 1.16 -0.70 1.82 5.08 -1.27 -1.02 114.58 120.55 3bvl h GLU 92 Ca 0.23 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3bvl h GLU 92 Cb 0.02 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 28.97 3bvl h GLU 92 CO -0.04 0.77 0.40 1.25 -1.00 0.00 0.00 179.01 180.39 3bvl h HIS 93 N 1.19 0.94 -0.48 4.33 2.76 -0.43 -1.83 115.15 121.63 3bvl h HIS 93 Ca 0.32 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.38 3bvl h HIS 93 Cb -0.13 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.51 3bvl h HIS 93 CO -0.01 0.65 -0.10 0.93 -1.30 0.00 0.00 177.93 178.10 3bvl h GLU 94 N 0.96 0.88 -0.53 5.26 4.39 -0.44 -0.87 114.58 124.23 3bvl h GLU 94 Ca 0.25 -0.30 0.05 0.00 0.34 0.00 0.00 59.36 59.69 3bvl h GLU 94 Cb 0.00 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.54 3bvl h GLU 94 CO -0.04 0.94 0.27 1.96 -1.16 0.00 0.00 179.01 180.97 3bvl h GLN 95 N 0.79 0.50 -0.41 2.33 4.20 -0.99 -0.30 115.11 121.23 3bvl h GLN 95 Ca 0.13 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.82 3bvl h GLN 95 Cb 0.62 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 3bvl h GLN 95 CO 0.04 0.33 0.27 1.25 -0.67 0.00 0.00 178.83 180.05 3bvl h HIS 96 N 0.52 0.50 -0.49 2.96 2.76 -0.97 -1.67 115.15 118.75 3bvl h HIS 96 Ca 0.23 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 3bvl h HIS 96 Cb 0.14 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 3bvl h HIS 96 CO -0.10 0.31 0.25 0.82 -1.30 0.00 0.00 177.93 177.91 3bvl h ILE 97 N 0.54 1.18 -0.58 6.26 1.08 -0.75 -1.28 117.51 123.97 3bvl h ILE 97 Ca 0.15 -0.49 0.06 0.00 -0.39 0.00 0.00 64.86 64.19 3bvl h ILE 97 Cb -0.05 0.60 -0.05 0.00 -3.07 0.00 0.00 36.82 34.25 3bvl h ILE 97 CO -0.04 0.20 0.29 0.28 -0.69 0.00 0.00 178.15 178.19 3bvl h SER 98 N 0.65 0.40 -0.62 1.72 0.02 -0.91 -1.45 113.55 113.36 3bvl h SER 98 Ca 0.17 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.20 3bvl h SER 98 Cb 0.09 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3bvl h SER 98 CO -0.02 0.27 0.37 -0.08 -1.14 0.00 0.00 176.83 176.22 3bvl h GLU 99 N 0.54 0.69 -0.64 3.45 4.81 -0.97 -0.66 114.58 121.81 3bvl h GLU 99 Ca 0.26 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.41 3bvl h GLU 99 Cb 0.20 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 3bvl h GLU 99 CO -0.19 0.46 0.22 0.66 -0.73 0.00 0.00 179.01 179.42 3bvl h SER 100 N 0.71 0.88 -0.14 1.04 4.64 -0.59 -0.65 113.55 119.44 3bvl h SER 100 Ca 0.26 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 3bvl h SER 100 Cb 0.08 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 61.93 3bvl h SER 100 CO -0.13 0.81 -0.10 0.40 -0.87 0.00 0.00 176.83 176.94 3bvl h ILE 101 N 0.93 1.33 -0.86 0.95 2.04 -0.95 -2.63 117.51 118.33 3bvl h ILE 101 Ca 0.21 -1.21 0.16 0.00 1.00 0.00 0.00 64.86 65.02 3bvl h ILE 101 Cb 0.24 1.82 -0.10 0.00 -0.74 0.00 0.00 36.82 38.04 3bvl h ILE 101 CO -0.01 0.35 0.44 0.78 0.00 0.00 0.00 178.15 179.71 3bvl h ASN 102 N -0.04 0.52 -0.67 1.72 2.35 -0.84 -1.22 115.58 117.38 3bvl h ASN 102 Ca 0.03 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3bvl h ASN 102 Cb 0.60 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.96 3bvl h ASN 102 CO 0.03 0.20 0.44 -1.13 -1.65 0.00 0.00 177.43 175.31 3bvl h ASN 103 N 0.60 0.78 -0.37 5.81 -1.24 -1.02 -0.77 115.58 119.38 3bvl h ASN 103 Ca 0.48 -0.03 -0.08 0.00 0.71 0.00 0.00 56.30 57.38 3bvl h ASN 103 Cb 0.70 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.54 3bvl h ASN 103 CO -0.38 0.58 -0.08 0.40 -1.29 0.00 0.00 177.43 176.66 3bvl h ILE 104 N 0.92 1.27 -0.64 2.57 2.04 -0.93 -1.86 117.51 120.88 3bvl h ILE 104 Ca 0.25 -1.14 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 3bvl h ILE 104 Cb -0.09 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 3bvl h ILE 104 CO -0.05 0.38 0.26 0.58 0.00 0.00 0.00 178.15 179.31 3bvl h VAL 105 N 0.50 1.23 -0.74 1.67 2.07 -1.13 0.59 116.25 120.44 3bvl h VAL 105 Ca 0.09 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.91 3bvl h VAL 105 Cb 0.58 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3bvl h VAL 105 CO 0.03 0.29 0.48 -0.78 0.02 0.00 0.00 177.57 177.61 3bvl h ASP 106 N 0.90 0.80 -0.35 0.57 3.58 -1.07 -1.50 116.42 119.35 3bvl h ASP 106 Ca 0.21 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.55 3bvl h ASP 106 Cb 0.20 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 3bvl h ASP 106 CO -0.02 0.56 -0.16 0.45 -2.88 0.00 0.00 179.24 177.20 3bvl h HIS 107 N 0.95 0.91 -0.49 0.28 3.86 -0.66 -1.37 115.15 118.63 3bvl h HIS 107 Ca 0.29 -0.19 0.02 0.00 -1.16 0.00 0.00 60.37 59.33 3bvl h HIS 107 Cb -0.03 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.18 3bvl h HIS 107 CO -0.03 0.91 0.30 0.00 0.86 0.00 0.00 177.93 179.97 3bvl h ALA 108 N 1.10 0.62 -0.15 2.45 0.00 -0.51 -1.75 119.26 121.02 3bvl h ALA 108 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3bvl h ALA 108 Cb 0.66 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3bvl h ALA 108 CO 0.05 0.01 0.10 0.82 0.00 0.00 0.00 179.25 180.22 3bvl h ILE 109 N 0.60 1.05 -0.53 0.00 2.04 -1.01 0.17 117.51 119.83 3bvl h ILE 109 Ca 0.19 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.95 3bvl h ILE 109 Cb -0.01 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3bvl h ILE 109 CO -0.07 0.05 0.35 0.11 0.00 0.00 0.00 178.15 178.59 3bvl h LYS 110 N 0.19 0.67 -0.68 2.37 1.57 -0.99 -1.92 116.57 117.79 3bvl h LYS 110 Ca 0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3bvl h LYS 110 Cb -0.00 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.15 3bvl h LYS 110 CO -0.01 0.45 0.00 -1.13 -0.57 0.00 0.00 179.45 178.18 3bvl n SER 111 N -4.46 3.90 -2.23 0.86 3.41 -0.68 -4.95 113.62 109.47 3bvl n SER 111 Ca 0.05 -2.00 -0.20 0.00 -0.26 0.00 0.00 58.87 56.46 3bvl n SER 111 Cb 0.07 -0.45 -0.01 0.00 -0.26 0.00 0.00 64.21 63.56 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 1.65 -1.58 -3.01 4.33 5.02 -0.71 -4.92 118.16 118.95 3bvl n LYS 112 Ca 0.24 0.98 -0.44 0.00 -2.02 0.00 0.00 58.31 57.06 3bvl n LYS 112 Cb 0.63 -5.57 -0.00 0.00 -0.02 0.00 0.00 35.03 30.06 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 -2.14 7.03 0.18 4.39 -1.08 0.52 -4.81 116.67 120.76 3bvl s ASP 113 Ca 0.00 -2.93 0.25 0.00 -0.52 0.00 0.00 52.55 49.35 3bvl s ASP 113 Cb 0.00 -2.37 0.60 0.00 -1.46 0.00 0.00 42.92 39.69 3bvl s ASP 113 CO 0.00 -0.72 1.58 0.45 0.52 0.00 0.00 175.17 177.00 3bvl h HIS 114 N 7.36 0.00 -0.38 -5.34 3.86 -1.92 -1.89 115.15 116.84 3bvl h HIS 114 Ca 0.27 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.45 3bvl h HIS 114 Cb 0.90 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.36 3bvl h HIS 114 CO 1.06 0.00 0.14 0.00 0.86 0.00 0.00 177.93 179.99 3bvl h ALA 115 N 2.49 0.49 -0.22 2.45 0.00 -1.97 -0.19 119.26 122.32 3bvl h ALA 115 Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 3bvl h ALA 115 Cb 0.75 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3bvl h ALA 115 CO 0.00 0.11 -0.25 1.15 0.00 0.00 0.00 179.25 180.25 3bvl h THR 116 N 0.46 1.32 -0.30 0.00 2.02 -1.94 -1.13 112.91 113.35 3bvl h THR 116 Ca 0.12 -1.43 0.07 0.00 0.77 0.00 0.00 66.41 65.94 3bvl h THR 116 Cb 0.21 1.75 -0.07 0.00 -1.74 0.00 0.00 68.15 68.29 3bvl h THR 116 CO -0.01 0.44 -0.19 0.15 0.37 0.00 0.00 175.52 176.28 3bvl h PHE 117 N 0.24 -0.48 -0.46 3.16 3.57 -1.30 -1.17 116.94 120.51 3bvl h PHE 117 Ca 0.03 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3bvl h PHE 117 Cb 0.81 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.79 3bvl h PHE 117 CO 0.08 -0.27 0.25 -0.97 -2.23 0.00 0.00 178.31 175.17 3bvl h ASN 118 N -0.16 0.58 -0.82 0.41 -0.73 -0.96 -2.90 115.58 110.99 3bvl h ASN 118 Ca 0.16 -0.09 0.03 0.00 1.87 0.00 0.00 56.30 58.26 3bvl h ASN 118 Cb 0.40 -0.15 -0.05 0.00 0.27 0.00 0.00 38.32 38.80 3bvl h ASN 118 CO -0.39 0.50 0.53 0.15 -0.37 0.00 0.00 177.43 177.85 3bvl h PHE 119 N 0.60 1.00 0.00 0.67 3.04 -0.83 -2.91 116.94 118.52 3bvl h PHE 119 Ca 0.16 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.14 3bvl h PHE 119 Cb 0.06 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 38.23 3bvl h PHE 119 CO -0.02 0.59 0.00 1.28 -2.02 0.00 0.00 178.31 178.14 3bvl n LEU 120 N -4.56 0.00 -0.22 0.59 4.77 -0.47 -3.90 117.00 113.21 3bvl n LEU 120 Ca 0.10 0.35 -0.05 0.00 -0.03 0.00 0.00 56.01 56.38 3bvl n LEU 120 Cb 0.07 -0.35 0.11 0.00 -2.33 0.00 0.00 43.42 40.92 3bvl n LEU 120 CO 0.34 -0.17 0.99 1.56 -1.33 0.00 0.00 177.39 178.78 3bvl h GLN 121 N 0.00 1.03 -0.49 3.23 1.08 -1.53 -0.21 115.11 118.22 3bvl h GLN 121 Ca 0.00 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 3bvl h GLN 121 Cb 0.18 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 3bvl h GLN 121 CO 0.00 0.89 0.32 0.11 -0.95 0.00 0.00 178.83 179.21 3bvl h TRP 122 N 0.99 0.61 -0.05 2.96 5.08 -1.82 -1.76 115.95 121.97 3bvl h TRP 122 Ca 0.22 0.01 -0.21 0.00 1.08 0.00 0.00 58.89 60.00 3bvl h TRP 122 Cb 0.30 -0.21 0.01 0.00 -3.00 0.00 0.00 29.16 26.27 3bvl h TRP 122 CO 0.02 0.39 -0.78 -0.92 -1.28 0.00 0.00 178.44 175.87 3bvl h TYR 123 N 0.66 0.87 -0.08 0.12 3.20 -1.45 0.07 116.97 120.37 3bvl h TYR 123 Ca 0.18 -0.44 0.01 0.00 3.14 0.00 0.00 58.73 61.62 3bvl h TYR 123 Cb -0.08 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 3bvl h TYR 123 CO 0.00 1.26 -0.01 0.28 -1.64 0.00 0.00 178.16 178.05 3bvl h VAL 124 N 0.24 0.94 -0.12 1.81 2.07 -0.97 0.01 116.25 120.22 3bvl h VAL 124 Ca -0.08 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3bvl h VAL 124 Cb 1.44 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 3bvl h VAL 124 CO 0.16 0.00 0.08 0.00 0.02 0.00 0.00 177.57 177.83 3bvl h ALA 125 N 1.07 0.16 -0.45 1.67 0.00 -1.21 -1.29 119.26 119.20 3bvl h ALA 125 Ca 0.04 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3bvl h ALA 125 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3bvl h ALA 125 CO -0.07 -0.35 -0.13 0.93 0.00 0.00 0.00 179.25 179.63 3bvl h GLU 126 N 0.16 0.88 -0.63 0.00 5.08 -0.93 -2.29 114.58 116.86 3bvl h GLU 126 Ca 0.04 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 58.00 3bvl h GLU 126 Cb -0.01 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3bvl h GLU 126 CO -0.01 0.99 0.17 0.37 -1.00 0.00 0.00 179.01 179.54 3bvl h GLN 127 N 0.72 0.99 -0.44 2.33 5.75 -0.91 -1.71 115.11 121.84 3bvl h GLN 127 Ca 0.11 -0.23 0.06 0.00 -0.15 0.00 0.00 58.65 58.45 3bvl h GLN 127 Cb 0.68 -0.14 -0.05 0.00 1.07 0.00 0.00 27.48 29.04 3bvl h GLN 127 CO 0.05 0.88 0.13 1.25 -2.65 0.00 0.00 178.83 178.49 3bvl h HIS 128 N 0.91 0.22 -0.87 3.99 2.76 -1.11 0.68 115.15 121.73 3bvl h HIS 128 Ca 0.20 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.44 3bvl h HIS 128 Cb 0.32 -0.03 -0.06 0.00 1.55 0.00 0.00 27.41 29.19 3bvl h HIS 128 CO 0.02 0.06 0.55 1.49 -1.30 0.00 0.00 177.93 178.75 3bvl h GLU 129 N 0.28 1.01 -0.34 5.26 4.22 -1.05 -1.00 114.58 122.95 3bvl h GLU 129 Ca 0.21 -0.06 -0.05 0.00 0.08 0.00 0.00 59.36 59.54 3bvl h GLU 129 Cb 0.24 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3bvl h GLU 129 CO -0.24 0.67 0.02 0.93 -2.18 0.00 0.00 179.01 178.20 3bvl h GLU 130 N 1.04 0.60 -0.50 1.92 5.08 -0.65 -0.89 114.58 121.18 3bvl h GLU 130 Ca 0.36 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3bvl h GLU 130 Cb 0.09 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3bvl h GLU 130 CO -0.14 0.71 0.26 1.49 -1.00 0.00 0.00 179.01 180.32 3bvl h GLU 131 N 0.41 0.70 -0.65 2.33 4.81 -0.50 -0.87 114.58 120.81 3bvl h GLU 131 Ca 0.10 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3bvl h GLU 131 Cb 0.43 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3bvl h GLU 131 CO 0.01 0.57 0.38 0.28 -0.73 0.00 0.00 179.01 179.53 3bvl h VAL 132 N 0.66 1.19 -0.30 0.32 2.07 -1.14 -1.24 116.25 117.80 3bvl h VAL 132 Ca 0.17 -0.45 0.03 0.00 0.82 0.00 0.00 66.70 67.28 3bvl h VAL 132 Cb 0.08 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 3bvl h VAL 132 CO -0.03 0.20 0.10 0.25 0.02 0.00 0.00 177.57 178.12 3bvl h LEU 133 N 0.89 0.11 -0.91 2.57 5.85 -0.70 0.71 115.31 123.83 3bvl h LEU 133 Ca 0.23 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.90 3bvl h LEU 133 Cb -0.01 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3bvl h LEU 133 CO -0.04 0.10 -0.10 -0.26 -0.34 0.00 0.00 178.44 177.79 3bvl h PHE 134 N 0.23 0.75 -0.27 1.25 -1.00 -0.93 -0.54 116.94 116.43 3bvl h PHE 134 Ca 0.14 -0.13 0.01 0.00 2.81 0.00 0.00 57.97 60.80 3bvl h PHE 134 Cb 0.11 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.45 3bvl h PHE 134 CO -0.14 0.76 0.15 -0.22 -1.61 0.00 0.00 178.31 177.25 3bvl h LYS 135 N 0.63 0.30 -0.69 1.51 3.11 -0.82 -1.37 116.57 119.24 3bvl h LYS 135 Ca 0.11 -0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.87 3bvl h LYS 135 Cb 0.54 -0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.68 3bvl h LYS 135 CO 0.03 0.20 0.20 -0.44 -2.81 0.00 0.00 179.45 176.63 3bvl h ASP 136 N 0.31 1.00 -0.18 4.20 3.32 -0.33 -0.45 116.42 124.29 3bvl h ASP 136 Ca 0.11 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 3bvl h ASP 136 Cb 0.01 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 3bvl h ASP 136 CO -0.06 0.95 -0.14 0.40 -1.72 0.00 0.00 179.24 178.67 3bvl h ILE 137 N 1.03 1.33 -0.45 0.35 2.04 -0.96 -1.66 117.51 119.18 3bvl h ILE 137 Ca 0.22 -1.26 0.03 0.00 1.00 0.00 0.00 64.86 64.85 3bvl h ILE 137 Cb 0.32 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 3bvl h ILE 137 CO -0.00 0.38 0.24 0.25 0.00 0.00 0.00 178.15 179.02 3bvl h LEU 138 N 0.09 0.37 -0.62 1.44 5.85 -1.17 0.26 115.31 121.52 3bvl h LEU 138 Ca 0.03 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.89 3bvl h LEU 138 Cb 0.66 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.54 3bvl h LEU 138 CO 0.04 0.26 0.15 0.44 -0.34 0.00 0.00 178.44 178.99 3bvl h ASP 139 N 0.49 0.04 -0.29 1.25 3.45 -0.99 -1.22 116.42 119.14 3bvl h ASP 139 Ca 0.19 0.11 -0.10 0.00 0.43 0.00 0.00 57.03 57.66 3bvl h ASP 139 Cb 0.06 0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.97 3bvl h ASP 139 CO -0.11 0.02 -0.21 0.50 -1.57 0.00 0.00 179.24 177.87 3bvl h LYS 140 N 0.29 0.65 -0.67 3.56 1.63 -0.60 -0.79 116.57 120.65 3bvl h LYS 140 Ca 0.33 -0.32 0.03 0.00 -0.85 0.00 0.00 60.65 59.85 3bvl h LYS 140 Cb 0.49 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.07 3bvl h LYS 140 CO -0.40 0.92 0.41 0.82 -3.45 0.00 0.00 179.45 177.74 3bvl h ILE 141 N 0.40 1.07 -0.18 2.00 2.04 -0.72 -0.80 117.51 121.32 3bvl h ILE 141 Ca 0.06 -0.27 -0.13 0.00 1.00 0.00 0.00 64.86 65.52 3bvl h ILE 141 Cb 0.76 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3bvl h ILE 141 CO 0.06 0.14 -0.44 -0.33 0.00 0.00 0.00 178.15 177.58 3bvl h GLU 142 N 0.79 0.43 -0.41 2.37 5.08 -1.11 -2.36 114.58 119.36 3bvl h GLU 142 Ca 0.27 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3bvl h GLU 142 Cb 0.05 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3bvl h GLU 142 CO -0.12 0.79 0.02 1.25 -1.00 0.00 0.00 179.01 179.94 3bvl h LEU 143 N 0.35 0.70 -0.28 1.33 5.85 -0.72 -3.25 115.31 119.30 3bvl h LEU 143 Ca 0.03 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 3bvl h LEU 143 Cb 0.91 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3bvl h LEU 143 CO 0.08 0.82 0.02 0.40 -0.34 0.00 0.00 178.44 179.42 3bvl h ILE 144 N 0.56 1.25 0.00 4.05 2.04 -1.09 -3.49 117.51 120.82 3bvl h ILE 144 Ca 0.12 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3bvl h ILE 144 Cb 0.45 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3bvl h ILE 144 CO 0.02 0.28 0.00 0.61 0.00 0.00 0.00 178.15 179.06 3bvl n GLY 145 N -0.38 0.58 0.00 5.37 0.00 -0.90 -4.75 105.19 105.11 3bvl n GLY 145 Ca -0.03 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3bvl n GLY 145 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3bvl n ASN 146 N 0.00 0.00 -4.76 1.61 5.15 -1.26 -4.72 115.26 111.28 3bvl n ASN 146 Ca 0.00 -0.01 -0.32 0.00 -0.60 0.00 0.00 54.58 53.65 3bvl n ASN 146 Cb 0.00 0.00 0.08 0.00 -0.53 0.00 0.00 39.78 39.33 3bvl n ASN 146 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3bvl s GLU 147 N 0.00 2.29 0.00 1.20 2.02 -1.26 -4.45 118.70 118.50 3bvl s GLU 147 Ca 0.00 1.33 0.00 0.00 0.02 0.00 0.00 54.97 56.32 3bvl s GLU 147 Cb 0.00 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.34 3bvl s GLU 147 CO 0.00 -1.64 0.00 0.09 0.02 0.00 0.00 175.26 173.73 3bvl n ASN 148 N -3.17 0.00 0.00 -0.19 3.02 -1.26 -0.31 115.26 113.35 3bvl n ASN 148 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 3bvl n ASN 148 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 3bvl n ASN 148 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3bvl n HIS 149 N 0.00 0.00 0.03 3.10 8.25 -1.26 -4.94 115.22 120.40 3bvl n HIS 149 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 3bvl n HIS 149 Cb 0.00 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.06 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 -0.10 0.59 -1.41 0.00 -0.88 -0.63 103.07 100.64 3bvl h GLY 150 Ca 0.00 0.14 0.07 0.00 0.00 0.00 0.00 47.33 47.54 3bvl h GLY 150 CO 0.00 -0.12 0.30 1.41 0.00 0.00 0.00 176.54 178.12 3bvl h LEU 151 N -0.18 0.40 -0.14 3.11 3.38 -1.81 -0.61 115.31 119.46 3bvl h LEU 151 Ca 0.06 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3bvl h LEU 151 Cb 0.26 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3bvl h LEU 151 CO -0.15 0.26 0.05 0.22 0.09 0.00 0.00 178.44 178.90 3bvl h TYR 152 N 0.55 0.09 -0.57 1.13 3.20 -1.88 -0.29 116.97 119.18 3bvl h TYR 152 Ca 0.28 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 3bvl h TYR 152 Cb 0.24 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 3bvl h TYR 152 CO -0.11 0.04 0.33 -0.07 -1.64 0.00 0.00 178.16 176.71 3bvl h LEU 153 N 0.12 0.71 -0.43 2.82 3.38 -0.75 -0.34 115.31 120.82 3bvl h LEU 153 Ca 0.06 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3bvl h LEU 153 Cb 0.04 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3bvl h LEU 153 CO -0.06 0.59 0.21 0.00 0.09 0.00 0.00 178.44 179.26 3bvl h ALA 154 N 1.15 0.55 -0.64 1.53 0.00 -1.01 -0.99 119.26 119.85 3bvl h ALA 154 Ca 0.20 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3bvl h ALA 154 Cb 0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3bvl h ALA 154 CO -0.03 0.10 0.14 0.22 0.00 0.00 0.00 179.25 179.68 3bvl h ASP 155 N 0.55 0.97 -0.20 0.00 3.58 -0.69 -1.19 116.42 119.44 3bvl h ASP 155 Ca 0.15 -0.20 -0.10 0.00 0.42 0.00 0.00 57.03 57.29 3bvl h ASP 155 Cb 0.10 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 3bvl h ASP 155 CO -0.02 0.95 -0.21 1.56 -2.88 0.00 0.00 179.24 178.64 3bvl h GLN 156 N 0.97 0.64 -0.18 0.28 1.08 -0.90 0.53 115.11 117.54 3bvl h GLN 156 Ca 0.20 -0.24 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3bvl h GLN 156 Cb 0.37 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 3bvl h GLN 156 CO 0.00 0.81 0.11 -0.92 -0.95 0.00 0.00 178.83 177.88 3bvl h TYR 157 N 0.57 0.23 -0.56 2.96 3.20 -0.76 -1.48 116.97 121.13 3bvl h TYR 157 Ca 0.09 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.89 3bvl h TYR 157 Cb 0.67 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 3bvl h TYR 157 CO 0.03 0.18 0.07 0.28 -1.64 0.00 0.00 178.16 177.08 3bvl h VAL 158 N 0.21 1.24 -0.50 1.81 2.07 -0.99 -2.37 116.25 117.72 3bvl h VAL 158 Ca 0.06 -0.96 0.06 0.00 0.82 0.00 0.00 66.70 66.68 3bvl h VAL 158 Cb 0.02 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 3bvl h VAL 158 CO -0.01 0.35 0.22 0.50 0.02 0.00 0.00 177.57 178.65 3bvl h LYS 159 N 0.85 0.41 -0.64 1.57 3.64 -0.72 -0.37 116.57 121.32 3bvl h LYS 159 Ca 0.17 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.58 3bvl h LYS 159 Cb 0.40 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 3bvl h LYS 159 CO 0.01 0.27 0.36 0.78 -2.27 0.00 0.00 179.45 178.60 3bvl h GLY 160 N 0.42 0.93 0.91 5.01 0.00 -0.83 -1.60 103.07 107.91 3bvl h GLY 160 Ca 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3bvl h GLY 160 CO -0.20 0.17 0.09 -2.22 0.00 0.00 0.00 176.54 174.38 3bvl h ILE 161 N 0.68 1.14 -0.59 2.60 2.04 -1.02 -1.49 117.51 120.88 3bvl h ILE 161 Ca 0.28 -0.42 0.09 0.00 1.00 0.00 0.00 64.86 65.80 3bvl h ILE 161 Cb 0.14 1.05 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 3bvl h ILE 161 CO -0.16 0.14 0.22 0.00 0.00 0.00 0.00 178.15 178.35 3bvl h ALA 162 N 0.95 0.76 -0.28 1.87 0.00 -0.73 -1.92 119.26 119.90 3bvl h ALA 162 Ca 0.07 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3bvl h ALA 162 Cb 0.14 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3bvl h ALA 162 CO -0.01 -0.19 -0.44 0.87 0.00 0.00 0.00 179.25 179.49 3bvl h LYS 163 N 0.41 0.71 0.00 0.00 1.57 -1.20 -3.07 116.57 114.99 3bvl h LYS 163 Ca 0.30 -0.39 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 3bvl h LYS 163 Cb 0.35 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3bvl h LYS 163 CO -0.29 1.01 -0.28 0.66 -0.57 0.00 0.00 179.45 179.98 3bvl h SER 164 N 0.58 0.00 0.33 0.86 4.64 -0.71 -2.70 113.55 116.54 3bvl h SER 164 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3bvl h SER 164 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3bvl h SER 164 CO 0.09 0.28 -0.10 0.54 -0.87 0.00 0.00 176.83 176.77 3bvl n ARG 165 N -3.91 0.74 0.00 4.77 1.74 -0.77 -5.10 116.66 114.13 3bvl n ARG 165 Ca -0.02 -0.26 0.15 0.00 -0.77 0.00 0.00 57.85 56.95 3bvl n ARG 165 Cb 0.35 -1.49 0.70 0.00 -1.02 0.00 0.00 32.46 31.00 3bvl n ARG 165 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74