#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 3.40 0.00 -1.40 2.46 -1.26 -5.09 115.29 113.40 3bvl s HIS 1004Ca 0.00 0.42 0.02 0.00 0.47 0.00 0.00 55.06 55.97 3bvl s HIS 1004Cb 0.00 -2.28 -0.04 0.00 -0.13 0.00 0.00 32.58 30.13 3bvl s HIS 1004CO 0.00 0.19 -0.01 -1.12 -2.47 0.00 0.00 174.74 171.33 3bvl s SER 1003N 0.63 5.03 0.49 9.88 0.01 -1.26 -5.10 113.70 123.38 3bvl s SER 1003Ca 0.12 -0.03 -0.23 0.00 1.31 0.00 0.00 55.95 57.11 3bvl s SER 1003Cb -0.13 -1.29 -0.07 0.00 0.21 0.00 0.00 66.02 64.75 3bvl s SER 1003CO 0.02 0.28 1.34 -1.10 0.41 0.00 0.00 173.24 174.19 3bvl s GLN 1002N -1.54 3.47 0.86 12.44 -1.52 -1.26 -4.98 119.66 127.13 3bvl s GLN 1002Ca 0.19 2.19 -0.12 0.00 -1.95 0.00 0.00 55.36 55.68 3bvl s GLN 1002Cb -0.11 -2.44 0.11 0.00 -0.22 0.00 0.00 33.01 30.35 3bvl s GLN 1002CO 0.10 -0.91 1.15 -0.25 -0.25 0.00 0.00 175.29 175.13 3bvl n ASP 1001N -0.60 0.62 -4.64 5.90 8.00 -1.26 -4.93 116.55 119.64 3bvl n ASP 1001Ca 0.08 0.51 -0.44 0.00 0.71 0.00 0.00 54.79 55.64 3bvl n ASP 1001Cb 0.45 -1.48 -0.01 0.00 -0.02 0.00 0.00 41.12 40.05 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 -3.65 1.69 0.00 -0.24 -0.02 -1.24 -4.82 135.00 126.71 3bvl n PRO 0 Ca 0.13 0.59 0.13 0.00 -2.02 0.00 0.00 63.50 62.32 3bvl n PRO 0 Cb 0.51 -2.06 0.33 0.00 -0.02 0.00 0.00 33.50 32.26 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 0.74 0.49 -4.20 -0.52 2.81 0.37 -4.88 117.12 111.93 3bvl n MET 1 Ca 0.08 -0.29 -0.25 0.00 -1.81 0.00 0.00 57.70 55.43 3bvl n MET 1 Cb 0.33 -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 -2.70 3.41 0.71 4.03 1.43 -1.26 -5.12 118.68 119.18 3bvl s LEU 2 Ca 0.19 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.77 3bvl s LEU 2 Cb 0.19 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.41 3bvl s LEU 2 CO 0.59 0.05 1.08 -0.94 0.23 0.00 0.00 176.35 177.36 3bvl s SER 3 N -3.25 5.02 0.26 2.29 1.04 -1.26 -4.82 113.70 112.98 3bvl s SER 3 Ca 0.29 1.79 -0.03 0.00 0.48 0.00 0.00 55.95 58.49 3bvl s SER 3 Cb -0.09 -2.52 0.39 0.00 0.10 0.00 0.00 66.02 63.91 3bvl s SER 3 CO 0.20 -1.69 1.88 0.11 0.98 0.00 0.00 173.24 174.73 3bvl h LYS 4 N -0.62 1.14 -0.38 4.02 1.57 -1.99 -0.04 116.57 120.28 3bvl h LYS 4 Ca -0.45 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.21 3bvl h LYS 4 Cb 1.23 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 3bvl h LYS 4 CO 0.54 0.76 0.02 -0.44 -0.57 0.00 0.00 179.45 179.76 3bvl h ASP 5 N 1.18 0.63 -0.41 0.86 3.45 -2.00 -1.71 116.42 118.43 3bvl h ASP 5 Ca 0.43 -0.29 -0.13 0.00 0.43 0.00 0.00 57.03 57.47 3bvl h ASP 5 Cb 0.15 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 3bvl h ASP 5 CO -0.17 0.76 -0.23 0.40 -1.57 0.00 0.00 179.24 178.43 3bvl h ILE 6 N 0.48 1.27 -0.15 0.35 1.08 -1.85 -1.82 117.51 116.86 3bvl h ILE 6 Ca 0.11 -1.38 0.03 0.00 -0.39 0.00 0.00 64.86 63.23 3bvl h ILE 6 Cb 0.43 1.17 -0.03 0.00 -3.07 0.00 0.00 36.82 35.31 3bvl h ILE 6 CO 0.01 0.47 -0.05 0.40 -0.69 0.00 0.00 178.15 178.29 3bvl h ILE 7 N 0.79 0.81 -0.08 -0.67 2.04 -0.94 0.06 117.51 119.52 3bvl h ILE 7 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 3bvl h ILE 7 Cb 0.79 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.68 3bvl h ILE 7 CO 0.07 0.00 0.05 0.50 0.00 0.00 0.00 178.15 178.77 3bvl h LYS 8 N -0.02 0.10 -0.78 2.37 3.64 -1.17 -0.28 116.57 120.42 3bvl h LYS 8 Ca 0.08 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3bvl h LYS 8 Cb 0.14 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 3bvl h LYS 8 CO -0.17 0.07 0.45 -0.07 -2.27 0.00 0.00 179.45 177.45 3bvl h LEU 9 N 0.11 0.97 -0.33 5.20 3.38 -1.20 -0.81 115.31 122.62 3bvl h LEU 9 Ca 0.03 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3bvl h LEU 9 Cb -0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3bvl h LEU 9 CO -0.01 0.77 -0.08 -0.07 0.09 0.00 0.00 178.44 179.14 3bvl h LEU 10 N 1.08 0.64 -0.69 1.67 3.38 -0.75 -1.42 115.31 119.22 3bvl h LEU 10 Ca 0.28 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3bvl h LEU 10 Cb 0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3bvl h LEU 10 CO -0.05 0.86 0.22 0.78 0.09 0.00 0.00 178.44 180.34 3bvl h ASN 11 N 0.41 1.00 -1.00 -0.43 2.35 -0.94 -1.50 115.58 115.48 3bvl h ASN 11 Ca 0.08 -0.21 0.06 0.00 -0.55 0.00 0.00 56.30 55.69 3bvl h ASN 11 Cb 0.58 -0.26 -0.07 0.00 0.05 0.00 0.00 38.32 38.63 3bvl h ASN 11 CO 0.03 0.94 0.65 -0.33 -1.65 0.00 0.00 177.43 177.08 3bvl h GLU 12 N 1.01 1.15 -0.58 0.81 5.08 -1.09 -2.56 114.58 118.40 3bvl h GLU 12 Ca 0.22 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 3bvl h GLU 12 Cb 0.30 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3bvl h GLU 12 CO -0.01 0.76 -0.02 0.37 -1.00 0.00 0.00 179.01 179.12 3bvl h GLN 13 N 1.19 1.02 -0.17 2.33 5.75 -0.63 -0.77 115.11 123.83 3bvl h GLN 13 Ca 0.43 -0.32 0.04 0.00 -0.15 0.00 0.00 58.65 58.64 3bvl h GLN 13 Cb 0.14 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 3bvl h GLN 13 CO -0.16 1.01 -0.08 0.28 -2.65 0.00 0.00 178.83 177.22 3bvl h VAL 14 N 0.93 0.75 -0.39 2.39 2.07 -0.91 -1.05 116.25 120.03 3bvl h VAL 14 Ca 0.16 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 3bvl h VAL 14 Cb 0.56 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3bvl h VAL 14 CO 0.03 0.00 0.01 0.78 0.02 0.00 0.00 177.57 178.42 3bvl h ASN 15 N -0.06 0.57 -0.69 0.57 2.35 -1.27 -1.77 115.58 115.28 3bvl h ASN 15 Ca 0.09 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3bvl h ASN 15 Cb 0.19 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 3bvl h ASN 15 CO -0.21 0.63 0.45 0.11 -1.65 0.00 0.00 177.43 176.77 3bvl h LYS 16 N 0.58 0.91 -0.37 0.81 1.57 -0.74 -0.33 116.57 118.99 3bvl h LYS 16 Ca 0.12 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 3bvl h LYS 16 Cb 0.35 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3bvl h LYS 16 CO 0.01 0.61 -0.22 0.93 -0.57 0.00 0.00 179.45 180.21 3bvl h GLU 17 N 0.93 0.74 -0.49 3.15 4.39 -0.81 -0.81 114.58 121.67 3bvl h GLU 17 Ca 0.25 -0.29 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 3bvl h GLU 17 Cb -0.10 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 3bvl h GLU 17 CO -0.05 0.90 0.18 0.52 -1.16 0.00 0.00 179.01 179.40 3bvl h MET 18 N 0.65 0.74 -0.72 2.33 2.86 -1.11 -1.24 114.93 118.44 3bvl h MET 18 Ca 0.09 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3bvl h MET 18 Cb 0.72 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.23 3bvl h MET 18 CO 0.06 0.68 0.37 -0.97 1.06 0.00 0.00 176.91 178.10 3bvl h ASN 19 N 0.66 0.91 -0.44 1.22 -0.73 -0.86 -2.29 115.58 114.06 3bvl h ASN 19 Ca 0.16 -0.11 0.03 0.00 1.87 0.00 0.00 56.30 58.25 3bvl h ASN 19 Cb 0.22 -0.23 -0.04 0.00 0.27 0.00 0.00 38.32 38.54 3bvl h ASN 19 CO -0.01 0.77 0.22 0.28 -0.37 0.00 0.00 177.43 178.32 3bvl h SER 20 N 0.99 0.33 -0.32 1.15 0.02 -0.84 0.10 113.55 114.99 3bvl h SER 20 Ca 0.25 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.27 3bvl h SER 20 Cb 0.07 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 3bvl h SER 20 CO -0.04 0.23 0.04 -1.28 -1.14 0.00 0.00 176.83 174.65 3bvl h SER 21 N 0.45 -0.04 -0.32 3.07 0.87 -0.99 -0.59 113.55 115.99 3bvl h SER 21 Ca 0.19 0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.82 3bvl h SER 21 Cb 0.09 0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 3bvl h SER 21 CO -0.13 0.01 0.20 0.78 -0.53 0.00 0.00 176.83 177.16 3bvl h ASN 22 N 0.14 0.33 -0.40 6.23 2.35 -0.96 -0.70 115.58 122.58 3bvl h ASN 22 Ca 0.15 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.92 3bvl h ASN 22 Cb 0.18 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 3bvl h ASN 22 CO -0.22 0.24 0.23 0.25 -1.65 0.00 0.00 177.43 176.28 3bvl h LEU 23 N 0.40 0.37 -0.78 1.61 5.85 -0.59 -1.51 115.31 120.66 3bvl h LEU 23 Ca 0.12 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 3bvl h LEU 23 Cb -0.02 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3bvl h LEU 23 CO -0.05 0.27 -0.44 1.88 -0.34 0.00 0.00 178.44 179.77 3bvl h TYR 24 N 0.47 0.45 -0.79 1.25 0.05 -0.92 -0.37 116.97 117.11 3bvl h TYR 24 Ca 0.16 -0.13 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 3bvl h TYR 24 Cb 0.01 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 37.62 3bvl h TYR 24 CO -0.07 0.76 0.40 0.52 -1.05 0.00 0.00 178.16 178.72 3bvl h MET 25 N 0.31 1.12 -0.12 4.88 2.86 -0.84 0.23 114.93 123.37 3bvl h MET 25 Ca 0.02 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 3bvl h MET 25 Cb 0.90 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.34 3bvl h MET 25 CO 0.07 0.84 -0.05 1.03 1.06 0.00 0.00 176.91 179.87 3bvl h SER 26 N 1.12 0.25 -0.89 1.22 0.87 -0.79 -1.44 113.55 113.89 3bvl h SER 26 Ca 0.28 -0.40 0.02 0.00 -1.23 0.00 0.00 61.79 60.45 3bvl h SER 26 Cb 0.07 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 61.92 3bvl h SER 26 CO -0.04 0.60 0.58 0.24 -0.53 0.00 0.00 176.83 177.68 3bvl h MET 27 N -0.09 1.13 -0.18 2.24 2.07 -0.97 -1.50 114.93 117.63 3bvl h MET 27 Ca 0.03 -0.07 0.02 0.00 -2.07 0.00 0.00 59.70 57.61 3bvl h MET 27 Cb 0.50 -0.25 -0.02 0.00 -1.87 0.00 0.00 31.60 29.95 3bvl h MET 27 CO 0.02 0.75 0.04 1.03 1.07 0.00 0.00 176.91 179.82 3bvl h SER 28 N 1.16 0.03 -0.76 1.22 0.87 -0.87 -1.75 113.55 113.45 3bvl h SER 28 Ca 0.34 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.92 3bvl h SER 28 Cb -0.07 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.88 3bvl h SER 28 CO -0.09 0.04 0.47 -1.28 -0.53 0.00 0.00 176.83 175.44 3bvl h SER 29 N 0.12 0.90 -0.26 6.23 0.87 -0.89 0.54 113.55 121.06 3bvl h SER 29 Ca 0.08 -0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.64 3bvl h SER 29 Cb 0.07 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 61.75 3bvl h SER 29 CO -0.10 0.69 -0.06 -0.25 -0.53 0.00 0.00 176.83 176.57 3bvl h TRP 30 N 1.03 -0.14 -0.34 2.24 7.01 -1.01 -0.38 115.95 124.36 3bvl h TRP 30 Ca 0.27 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.30 3bvl h TRP 30 Cb -0.06 0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.09 3bvl h TRP 30 CO -0.01 -0.11 0.22 0.00 -2.79 0.00 0.00 178.44 175.75 3bvl h TYR 32 N 0.46 1.17 -0.00 0.00 0.99 -0.53 0.70 116.97 119.76 3bvl h TYR 32 Ca 0.12 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.88 3bvl h TYR 32 Cb -0.05 -0.39 0.00 0.00 1.00 0.00 0.00 36.73 37.29 3bvl h TYR 32 CO -0.05 0.66 -0.05 0.25 -0.00 0.00 0.00 178.16 178.97 3bvl n THR 33 N -4.45 0.00 -1.69 -2.88 -2.24 -0.19 -3.38 114.28 99.45 3bvl n THR 33 Ca 0.13 -0.05 0.03 0.00 -2.27 0.00 0.00 64.05 61.90 3bvl n THR 33 Cb 0.12 -0.24 0.18 0.00 -2.10 0.00 0.00 70.33 68.29 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 -0.97 0.26 -1.27 4.78 8.25 -0.83 -4.98 115.22 120.46 3bvl n HIS 34 Ca 0.17 -1.52 -0.09 0.00 -0.26 0.00 0.00 57.72 56.01 3bvl n HIS 34 Cb 0.24 -0.25 -0.04 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 -1.00 -4.65 -3.70 0.41 7.64 -1.10 -4.93 113.62 106.28 3bvl n SER 35 Ca 0.21 0.23 -0.36 0.00 1.01 0.00 0.00 58.87 59.96 3bvl n SER 35 Cb 0.74 -2.97 -0.03 0.00 -1.01 0.00 0.00 64.21 60.94 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 -1.06 5.32 0.24 -3.43 4.77 0.18 -4.86 117.00 118.15 3bvl n LEU 36 Ca -0.09 -5.34 0.12 0.00 -0.03 0.00 0.00 56.01 50.67 3bvl n LEU 36 Cb 0.39 -0.99 0.49 0.00 -2.33 0.00 0.00 43.42 40.98 3bvl n LEU 36 CO 0.14 1.89 0.85 -2.24 -1.33 0.00 0.00 177.39 176.71 3bvl h ASP 37 N 4.75 0.00 0.48 -1.43 2.03 -1.88 -0.29 116.42 120.08 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 0.61 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 3bvl h ASP 37 CO 1.11 0.14 -0.23 1.23 -1.03 0.00 0.00 179.24 180.45 3bvl h GLY 38 N 2.34 -0.67 1.10 7.15 0.00 -1.90 0.22 103.07 111.31 3bvl h GLY 38 Ca -0.00 0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 3bvl h GLY 38 CO 0.02 -0.24 0.42 0.00 0.00 0.00 0.00 176.54 176.73 3bvl h ALA 39 N -0.32 1.19 -0.23 3.60 0.00 -1.71 -1.84 119.26 119.94 3bvl h ALA 39 Ca -0.07 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.75 3bvl h ALA 39 Cb 0.55 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3bvl h ALA 39 CO 0.11 0.63 -0.06 0.78 0.00 0.00 0.00 179.25 180.71 3bvl h GLY 40 N 1.18 0.16 0.87 0.00 0.00 -0.89 -0.43 103.07 103.97 3bvl h GLY 40 Ca 0.29 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 3bvl h GLY 40 CO -0.04 -0.09 0.06 -2.00 0.00 0.00 0.00 176.54 174.47 3bvl h LEU 41 N -0.00 0.34 -0.37 3.11 5.85 -0.81 -1.09 115.31 122.33 3bvl h LEU 41 Ca 0.11 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.66 3bvl h LEU 41 Cb 0.17 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 3bvl h LEU 41 CO -0.24 0.47 0.10 0.15 -0.34 0.00 0.00 178.44 178.58 3bvl h PHE 42 N 0.19 0.18 -0.08 1.25 3.57 -1.12 -0.99 116.94 119.94 3bvl h PHE 42 Ca 0.07 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.44 3bvl h PHE 42 Cb 0.26 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3bvl h PHE 42 CO 0.01 0.06 -0.62 -0.07 -2.23 0.00 0.00 178.31 175.45 3bvl h LEU 43 N 0.24 0.34 0.03 0.59 3.38 -0.99 -1.25 115.31 117.65 3bvl h LEU 43 Ca 0.17 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3bvl h LEU 43 Cb 0.18 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3bvl h LEU 43 CO -0.20 0.87 -0.01 0.15 0.09 0.00 0.00 178.44 179.33 3bvl h PHE 44 N 0.22 -0.04 -0.74 1.13 3.57 -0.93 -0.49 116.94 119.66 3bvl h PHE 44 Ca -0.01 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3bvl h PHE 44 Cb 1.14 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.86 3bvl h PHE 44 CO 0.03 0.07 0.34 -0.44 -2.23 0.00 0.00 178.31 176.07 3bvl h ASP 45 N -0.13 0.96 -0.48 0.41 3.32 -1.08 -2.06 116.42 117.36 3bvl h ASP 45 Ca -0.00 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.89 3bvl h ASP 45 Cb 0.12 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3bvl h ASP 45 CO 0.01 0.83 0.15 -0.74 -1.72 0.00 0.00 179.24 177.77 3bvl h HIS 46 N 1.05 0.78 -0.51 4.55 2.76 -1.13 -2.13 115.15 120.51 3bvl h HIS 46 Ca 0.25 -0.08 0.07 0.00 -2.20 0.00 0.00 60.37 58.42 3bvl h HIS 46 Cb 0.13 -0.23 -0.06 0.00 1.55 0.00 0.00 27.41 28.81 3bvl h HIS 46 CO 0.01 0.68 0.17 0.00 -1.30 0.00 0.00 177.93 177.49 3bvl h ALA 47 N 1.01 0.62 -0.90 5.26 0.00 -0.66 -1.52 119.26 123.07 3bvl h ALA 47 Ca 0.16 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3bvl h ALA 47 Cb 0.27 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3bvl h ALA 47 CO -0.01 -0.23 0.57 0.00 0.00 0.00 0.00 179.25 179.58 3bvl h ALA 48 N 1.36 1.31 -0.16 0.00 0.00 -1.22 -2.20 119.26 118.35 3bvl h ALA 48 Ca 0.25 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3bvl h ALA 48 Cb 0.29 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3bvl h ALA 48 CO -0.27 0.62 -0.22 1.49 0.00 0.00 0.00 179.25 180.86 3bvl h GLU 49 N 1.23 0.28 -0.64 0.00 4.57 -0.64 -1.93 114.58 117.44 3bvl h GLU 49 Ca 0.33 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 58.37 3bvl h GLU 49 Cb -0.10 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.44 3bvl h GLU 49 CO -0.07 0.50 0.21 0.93 -1.18 0.00 0.00 179.01 179.40 3bvl h GLU 50 N 0.26 0.99 -0.68 1.92 4.39 -0.70 -1.29 114.58 119.47 3bvl h GLU 50 Ca 0.04 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 3bvl h GLU 50 Cb 0.54 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 3bvl h GLU 50 CO 0.04 0.87 0.35 -0.92 -1.16 0.00 0.00 179.01 178.18 3bvl h TYR 51 N 0.92 0.95 -0.82 4.33 3.20 -1.14 -1.59 116.97 122.82 3bvl h TYR 51 Ca 0.21 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.07 3bvl h TYR 51 Cb 0.28 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.21 3bvl h TYR 51 CO 0.02 0.68 0.54 0.93 -1.64 0.00 0.00 178.16 178.68 3bvl h GLU 52 N 0.96 1.05 -0.61 1.82 4.39 -0.84 -0.13 114.58 121.21 3bvl h GLU 52 Ca 0.24 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.89 3bvl h GLU 52 Cb 0.07 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.45 3bvl h GLU 52 CO -0.03 0.69 0.40 0.45 -1.16 0.00 0.00 179.01 179.36 3bvl h HIS 53 N 1.08 0.76 -0.59 4.33 3.86 -0.61 -1.37 115.15 122.61 3bvl h HIS 53 Ca 0.31 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.55 3bvl h HIS 53 Cb -0.08 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.10 3bvl h HIS 53 CO -0.02 0.47 0.38 0.00 0.86 0.00 0.00 177.93 179.62 3bvl h ALA 54 N 1.23 0.76 -0.90 2.45 0.00 -0.80 -1.61 119.26 120.39 3bvl h ALA 54 Ca 0.23 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3bvl h ALA 54 Cb -0.08 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 3bvl h ALA 54 CO -0.06 0.14 0.48 0.87 0.00 0.00 0.00 179.25 180.69 3bvl h LYS 55 N 0.76 1.26 -0.36 0.00 1.57 -0.65 -0.63 116.57 118.52 3bvl h LYS 55 Ca 0.23 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 3bvl h LYS 55 Cb -0.04 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 3bvl h LYS 55 CO -0.07 0.93 -0.24 0.87 -0.57 0.00 0.00 179.45 180.37 3bvl h LYS 56 N 1.26 0.72 -0.50 3.15 1.57 -0.93 -0.89 116.57 120.95 3bvl h LYS 56 Ca 0.31 -0.30 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 3bvl h LYS 56 Cb 0.04 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3bvl h LYS 56 CO -0.05 0.90 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.63 3bvl h LEU 57 N 0.63 0.90 -0.60 2.94 3.38 -1.00 -2.59 115.31 118.96 3bvl h LEU 57 Ca 0.09 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3bvl h LEU 57 Cb 0.74 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3bvl h LEU 57 CO 0.06 1.01 0.39 0.40 0.09 0.00 0.00 178.44 180.38 3bvl h ILE 58 N 0.77 1.16 -0.52 1.22 2.04 -0.90 -1.50 117.51 119.78 3bvl h ILE 58 Ca 0.14 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.73 3bvl h ILE 58 Cb 0.56 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 3bvl h ILE 58 CO 0.03 0.16 0.26 0.40 0.00 0.00 0.00 178.15 179.00 3bvl h ILE 59 N 0.82 0.93 -0.76 -0.67 2.04 -1.04 0.80 117.51 119.63 3bvl h ILE 59 Ca 0.22 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 3bvl h ILE 59 Cb -0.07 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 3bvl h ILE 59 CO -0.05 0.09 0.39 0.15 0.00 0.00 0.00 178.15 178.74 3bvl h PHE 60 N 0.49 1.07 -0.10 1.37 3.57 -1.18 -0.65 116.94 121.52 3bvl h PHE 60 Ca 0.23 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 3bvl h PHE 60 Cb 0.16 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 3bvl h PHE 60 CO -0.11 0.77 0.05 -0.07 -2.23 0.00 0.00 178.31 176.72 3bvl h LEU 61 N 1.06 0.12 -0.53 0.59 3.38 -0.66 -2.62 115.31 116.64 3bvl h LEU 61 Ca 0.26 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.23 3bvl h LEU 61 Cb 0.08 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 3bvl h LEU 61 CO -0.04 0.15 0.22 0.78 0.09 0.00 0.00 178.44 179.64 3bvl h ASN 62 N 0.07 0.25 0.47 -0.43 2.35 -0.61 -0.48 115.58 117.20 3bvl h ASN 62 Ca 0.03 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 3bvl h ASN 62 Cb 0.06 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3bvl h ASN 62 CO -0.01 0.17 -0.17 1.05 -1.65 0.00 0.00 177.43 176.83 3bvl h GLU 63 N 0.41 0.00 -0.52 0.81 4.11 -0.99 -1.98 114.58 116.43 3bvl h GLU 63 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.68 3bvl h GLU 63 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3bvl h GLU 63 CO -0.23 0.17 0.00 0.09 0.07 0.00 0.00 179.01 179.10 3bvl n ASN 64 N -3.65 2.77 -3.18 3.06 3.02 -0.86 -4.93 115.26 111.50 3bvl n ASN 64 Ca -0.01 -2.08 -0.23 0.00 -0.03 0.00 0.00 54.58 52.23 3bvl n ASN 64 Cb 0.29 -0.36 0.02 0.00 -0.61 0.00 0.00 39.78 39.12 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 0.85 -5.26 -4.55 6.41 4.13 -0.74 -0.48 115.26 115.61 3bvl n ASN 65 Ca 0.16 -0.34 -0.37 0.00 1.68 0.00 0.00 54.58 55.71 3bvl n ASN 65 Cb 0.47 -4.27 -0.11 0.00 -1.54 0.00 0.00 39.78 34.32 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 -3.10 5.00 0.23 2.41 1.01 -0.24 -3.71 120.40 122.00 3bvl s VAL 66 Ca 0.35 0.06 -0.31 0.00 0.00 0.00 0.00 61.98 62.08 3bvl s VAL 66 Cb -0.17 -3.37 -0.12 0.00 0.00 0.00 0.00 36.38 32.72 3bvl s VAL 66 CO 0.44 0.28 1.68 -2.65 0.00 0.00 0.00 175.10 174.85 3bvl n PRO 67 N 4.96 2.74 -2.58 2.72 -0.02 -1.26 -4.15 135.00 137.41 3bvl n PRO 67 Ca -0.15 0.98 -0.42 0.00 -2.02 0.00 0.00 63.50 61.90 3bvl n PRO 67 Cb 0.52 -2.81 -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 0.81 4.32 -0.60 -1.45 1.01 -1.26 -5.01 120.40 118.22 3bvl s VAL 68 Ca 0.72 1.77 0.00 0.00 0.00 0.00 0.00 61.98 64.47 3bvl s VAL 68 Cb -0.51 -4.13 0.15 0.00 0.00 0.00 0.00 36.38 31.89 3bvl s VAL 68 CO 0.37 0.20 0.38 -1.10 0.00 0.00 0.00 175.10 174.95 3bvl s GLN 69 N 0.56 2.35 -0.15 2.72 -0.21 -1.26 -5.07 119.66 118.60 3bvl s GLN 69 Ca 0.53 -2.65 -0.27 0.00 0.02 0.00 0.00 55.36 52.99 3bvl s GLN 69 Cb -0.26 -3.56 -0.01 0.00 1.00 0.00 0.00 33.01 30.18 3bvl s GLN 69 CO 0.30 -1.16 0.92 -0.51 -2.12 0.00 0.00 175.29 172.73 3bvl s LEU 70 N -0.29 4.19 0.45 2.90 1.43 -1.26 -4.85 118.68 121.26 3bvl s LEU 70 Ca 0.18 1.33 0.08 0.00 -1.03 0.00 0.00 54.13 54.69 3bvl s LEU 70 Cb -0.22 -3.39 0.00 0.00 0.03 0.00 0.00 46.19 42.61 3bvl s LEU 70 CO -0.03 -0.45 0.44 0.42 0.23 0.00 0.00 176.35 176.97 3bvl s THR 71 N 2.21 2.51 0.34 5.49 -4.23 -1.26 -5.10 115.64 115.60 3bvl s THR 71 Ca 0.43 -1.29 -0.28 0.00 -1.18 0.00 0.00 61.69 59.37 3bvl s THR 71 Cb -0.17 -2.80 -0.09 0.00 1.34 0.00 0.00 72.50 70.77 3bvl s THR 71 CO 0.14 0.00 1.20 -0.44 -0.54 0.00 0.00 174.62 174.97 3bvl s SER 72 N -4.23 6.83 -0.02 3.99 0.01 -1.26 -5.05 113.70 113.97 3bvl s SER 72 Ca 0.48 2.45 0.01 0.00 1.31 0.00 0.00 55.95 60.21 3bvl s SER 72 Cb -0.04 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.57 3bvl s SER 72 CO 0.29 -0.47 -0.05 -0.63 0.41 0.00 0.00 173.24 172.79 3bvl s ILE 73 N -1.24 0.47 0.71 1.44 1.01 -1.26 -5.14 121.20 117.19 3bvl s ILE 73 Ca 0.50 -0.18 -0.16 0.00 0.00 0.00 0.00 60.65 60.81 3bvl s ILE 73 Cb -0.34 -0.45 0.03 0.00 0.01 0.00 0.00 42.46 41.71 3bvl s ILE 73 CO 0.44 0.17 1.26 -0.44 0.00 0.00 0.00 174.94 176.37 3bvl s SER 74 N 0.32 4.20 0.48 3.58 0.01 -1.26 -4.96 113.70 116.06 3bvl s SER 74 Ca -0.04 2.53 -0.24 0.00 1.31 0.00 0.00 55.95 59.51 3bvl s SER 74 Cb -0.08 -2.61 -0.08 0.00 0.21 0.00 0.00 66.02 63.47 3bvl s SER 74 CO -0.00 -2.27 1.32 0.00 0.41 0.00 0.00 173.24 172.70 3bvl n ALA 75 N -2.45 1.51 -1.46 1.44 0.00 -1.26 -4.98 120.51 113.31 3bvl n ALA 75 Ca 0.15 0.20 -0.32 0.00 0.00 0.00 0.00 53.44 53.47 3bvl n ALA 75 Cb 0.49 -2.32 0.06 0.00 0.00 0.00 0.00 19.45 17.68 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 -2.50 2.72 0.38 0.00 0.04 -1.26 -4.98 135.00 129.41 3bvl s PRO 76 Ca 0.65 1.27 -0.27 0.00 0.04 0.00 0.00 61.00 62.69 3bvl s PRO 76 Cb -0.46 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.02 3bvl s PRO 76 CO 0.55 -1.30 1.26 -1.91 0.04 0.00 0.00 177.00 175.64 3bvl n GLU 77 N -2.74 1.98 0.00 4.56 4.07 -1.26 -4.92 120.64 122.33 3bvl n GLU 77 Ca 0.10 0.70 0.00 0.00 -0.06 0.00 0.00 57.16 57.89 3bvl n GLU 77 Cb 0.52 -2.33 0.00 0.00 -0.06 0.00 0.00 31.44 29.58 3bvl n GLU 77 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68 3bvl n HIS 78 N 0.04 0.00 -3.85 4.31 1.44 -1.26 -4.68 115.22 111.21 3bvl n HIS 78 Ca 0.06 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.42 3bvl n HIS 78 Cb 0.38 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.39 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 -1.13 4.02 0.09 -1.40 1.02 -1.26 -4.87 119.74 116.22 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 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 3bvl s LYS 79 CO 0.00 0.20 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.51 3bvl s PHE 80 N 0.59 0.87 -0.03 3.18 0.40 -1.26 -5.07 117.98 116.66 3bvl s PHE 80 Ca 0.05 -0.84 0.12 0.00 -0.60 0.00 0.00 56.93 55.66 3bvl s PHE 80 Cb -0.12 -0.50 -0.23 0.00 0.51 0.00 0.00 43.02 42.68 3bvl s PHE 80 CO 0.01 -0.13 0.73 0.93 0.70 0.00 0.00 175.22 177.45 3bvl h GLU 81 N 3.22 0.00 0.00 0.44 5.08 -1.98 -3.50 114.58 117.84 3bvl h GLU 81 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3bvl h GLU 81 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3bvl h GLU 81 CO 0.61 0.54 0.00 0.41 -1.00 0.00 0.00 179.01 179.57 3bvl n GLY 82 N 1.53 -2.20 0.16 -3.84 0.00 -1.26 -4.99 105.19 94.59 3bvl n GLY 82 Ca -0.15 -1.20 -0.07 0.00 0.00 0.00 0.00 46.02 44.59 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 0.30 -0.03 0.99 5.85 -1.99 -1.40 115.31 119.03 3bvl h LEU 83 Ca 0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3bvl h LEU 83 Cb 0.00 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3bvl h LEU 83 CO 0.00 0.22 -0.00 0.74 -0.34 0.00 0.00 178.44 179.05 3bvl h THR 84 N 0.40 0.97 -0.75 1.05 2.02 -1.97 -1.75 112.91 112.88 3bvl h THR 84 Ca 0.15 -0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.36 3bvl h THR 84 Cb 0.03 0.97 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 3bvl h THR 84 CO -0.08 0.00 0.47 -0.61 0.37 0.00 0.00 175.52 175.66 3bvl h GLN 85 N 0.01 0.87 -0.18 6.66 4.15 -1.90 0.96 115.11 125.68 3bvl h GLN 85 Ca 0.01 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.40 3bvl h GLN 85 Cb 0.02 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 3bvl h GLN 85 CO -0.03 0.57 0.03 0.82 -1.93 0.00 0.00 178.83 178.30 3bvl h ILE 86 N 0.90 0.92 0.00 2.39 2.04 -0.96 -0.54 117.51 122.25 3bvl h ILE 86 Ca 0.31 -0.04 -0.08 0.00 1.00 0.00 0.00 64.86 66.06 3bvl h ILE 86 Cb 0.06 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3bvl h ILE 86 CO -0.13 0.02 -0.37 -0.26 0.00 0.00 0.00 178.15 177.41 3bvl h PHE 87 N 0.10 0.00 -0.12 1.37 0.04 -0.85 0.12 116.94 117.60 3bvl h PHE 87 Ca 0.08 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 3bvl h PHE 87 Cb 0.07 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 3bvl h PHE 87 CO -0.14 0.37 -0.00 0.37 -0.60 0.00 0.00 178.31 178.31 3bvl h GLN 88 N 0.00 0.21 -0.83 1.51 5.75 -0.63 -1.05 115.11 120.07 3bvl h GLN 88 Ca -0.00 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.43 3bvl h GLN 88 Cb 0.98 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.47 3bvl h GLN 88 CO 0.05 0.46 0.51 0.87 -2.65 0.00 0.00 178.83 178.07 3bvl h LYS 89 N -0.07 1.11 -0.29 1.69 1.57 -0.82 -2.22 116.57 117.54 3bvl h LYS 89 Ca 0.03 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3bvl h LYS 89 Cb 0.37 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3bvl h LYS 89 CO 0.01 0.77 0.01 0.00 -0.57 0.00 0.00 179.45 179.67 3bvl h ALA 90 N 1.28 0.39 -0.50 3.86 0.00 -0.74 -1.01 119.26 122.53 3bvl h ALA 90 Ca 0.30 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3bvl h ALA 90 Cb -0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3bvl h ALA 90 CO -0.06 0.13 0.32 -0.92 0.00 0.00 0.00 179.25 178.72 3bvl h TYR 91 N 0.30 0.60 -0.92 0.00 3.20 -1.11 0.27 116.97 119.31 3bvl h TYR 91 Ca 0.08 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.01 3bvl h TYR 91 Cb 0.42 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.44 3bvl h TYR 91 CO 0.03 0.36 0.60 0.93 -1.64 0.00 0.00 178.16 178.44 3bvl h GLU 92 N 0.64 1.12 -0.51 1.82 5.08 -1.33 -0.73 114.58 120.68 3bvl h GLU 92 Ca 0.19 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3bvl h GLU 92 Cb -0.03 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 28.94 3bvl h GLU 92 CO -0.06 0.74 0.23 1.25 -1.00 0.00 0.00 179.01 180.17 3bvl h HIS 93 N 1.16 0.75 -0.65 4.33 2.76 -0.54 -2.07 115.15 120.89 3bvl h HIS 93 Ca 0.37 -0.04 -0.07 0.00 -2.20 0.00 0.00 60.37 58.43 3bvl h HIS 93 Cb 0.01 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 28.72 3bvl h HIS 93 CO -0.01 0.60 0.15 0.93 -1.30 0.00 0.00 177.93 178.30 3bvl h GLU 94 N 0.68 1.04 -0.52 5.26 4.39 -0.41 -0.94 114.58 124.07 3bvl h GLU 94 Ca 0.17 -0.24 0.04 0.00 0.34 0.00 0.00 59.36 59.67 3bvl h GLU 94 Cb 0.15 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 3bvl h GLU 94 CO -0.02 0.92 0.29 1.96 -1.16 0.00 0.00 179.01 181.00 3bvl h GLN 95 N 0.98 0.54 -0.71 2.33 4.20 -0.91 0.18 115.11 121.73 3bvl h GLN 95 Ca 0.21 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 3bvl h GLN 95 Cb 0.36 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3bvl h GLN 95 CO 0.00 0.36 0.33 1.25 -0.67 0.00 0.00 178.83 180.11 3bvl h HIS 96 N 0.56 1.03 -0.35 2.96 2.76 -0.95 -1.35 115.15 119.81 3bvl h HIS 96 Ca 0.22 -0.05 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 3bvl h HIS 96 Cb 0.09 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 3bvl h HIS 96 CO -0.09 0.76 0.12 0.82 -1.30 0.00 0.00 177.93 178.25 3bvl h ILE 97 N 0.99 1.20 -0.65 6.26 1.08 -0.74 -1.42 117.51 124.23 3bvl h ILE 97 Ca 0.24 -0.63 0.10 0.00 -0.39 0.00 0.00 64.86 64.17 3bvl h ILE 97 Cb 0.13 0.96 -0.07 0.00 -3.07 0.00 0.00 36.82 34.77 3bvl h ILE 97 CO -0.03 0.22 0.27 0.28 -0.69 0.00 0.00 178.15 178.20 3bvl h SER 98 N 0.41 0.31 -0.63 1.72 0.02 -0.75 -1.31 113.55 113.32 3bvl h SER 98 Ca 0.11 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.14 3bvl h SER 98 Cb 0.22 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 3bvl h SER 98 CO -0.01 0.18 0.42 -0.08 -1.14 0.00 0.00 176.83 176.20 3bvl h GLU 99 N 0.48 0.82 -0.73 3.45 4.81 -0.99 -1.09 114.58 121.33 3bvl h GLU 99 Ca 0.33 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.47 3bvl h GLU 99 Cb 0.38 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 3bvl h GLU 99 CO -0.30 0.55 0.30 0.66 -0.73 0.00 0.00 179.01 179.49 3bvl h SER 100 N 0.85 0.99 -0.09 1.04 4.64 -0.34 -1.67 113.55 118.97 3bvl h SER 100 Ca 0.23 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 3bvl h SER 100 Cb -0.09 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 61.74 3bvl h SER 100 CO -0.05 0.88 -0.02 0.40 -0.87 0.00 0.00 176.83 177.16 3bvl h ILE 101 N 1.06 1.29 -0.79 0.95 2.04 -0.97 -2.84 117.51 118.25 3bvl h ILE 101 Ca 0.25 -0.95 0.18 0.00 1.00 0.00 0.00 64.86 65.33 3bvl h ILE 101 Cb 0.19 1.75 -0.12 0.00 -0.74 0.00 0.00 36.82 37.90 3bvl h ILE 101 CO -0.02 0.27 0.23 0.78 0.00 0.00 0.00 178.15 179.41 3bvl h ASN 102 N -0.16 0.09 -0.56 1.72 2.35 -1.03 -1.32 115.58 116.67 3bvl h ASN 102 Ca 0.02 0.15 0.03 0.00 -0.55 0.00 0.00 56.30 55.95 3bvl h ASN 102 Cb 0.43 0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.95 3bvl h ASN 102 CO 0.01 -0.04 0.33 -1.13 -1.65 0.00 0.00 177.43 174.95 3bvl h ASN 103 N 0.30 0.53 -0.30 5.81 -1.24 -1.24 -0.90 115.58 118.54 3bvl h ASN 103 Ca 0.46 0.01 -0.10 0.00 0.71 0.00 0.00 56.30 57.38 3bvl h ASN 103 Cb 0.82 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.76 3bvl h ASN 103 CO -0.53 0.37 -0.22 0.40 -1.29 0.00 0.00 177.43 176.16 3bvl h ILE 104 N 0.65 1.30 -0.79 2.57 2.04 -1.06 -1.92 117.51 120.30 3bvl h ILE 104 Ca 0.23 -1.36 0.03 0.00 1.00 0.00 0.00 64.86 64.75 3bvl h ILE 104 Cb 0.04 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 3bvl h ILE 104 CO -0.11 0.44 0.51 0.58 0.00 0.00 0.00 178.15 179.57 3bvl h VAL 105 N 0.42 1.14 -0.86 1.67 2.07 -1.17 0.55 116.25 120.06 3bvl h VAL 105 Ca 0.06 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 3bvl h VAL 105 Cb 0.77 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 3bvl h VAL 105 CO 0.06 0.18 0.42 -0.78 0.02 0.00 0.00 177.57 177.47 3bvl h ASP 106 N 1.00 1.12 -0.43 0.57 3.58 -1.00 -1.89 116.42 119.36 3bvl h ASP 106 Ca 0.31 -0.13 -0.11 0.00 0.42 0.00 0.00 57.03 57.52 3bvl h ASP 106 Cb -0.01 -0.29 -0.02 0.00 1.72 0.00 0.00 39.33 40.73 3bvl h ASP 106 CO -0.10 0.93 -0.15 0.45 -2.88 0.00 0.00 179.24 177.49 3bvl h HIS 107 N 1.22 1.03 -0.33 0.28 3.86 -0.52 -1.61 115.15 119.08 3bvl h HIS 107 Ca 0.30 -0.22 0.04 0.00 -1.16 0.00 0.00 60.37 59.32 3bvl h HIS 107 Cb 0.11 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.29 3bvl h HIS 107 CO 0.01 1.00 0.11 0.00 0.86 0.00 0.00 177.93 179.91 3bvl h ALA 108 N 1.01 0.37 -0.19 2.45 0.00 -0.52 -1.34 119.26 121.04 3bvl h ALA 108 Ca 0.12 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3bvl h ALA 108 Cb 0.70 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3bvl h ALA 108 CO 0.05 -0.28 0.09 0.82 0.00 0.00 0.00 179.25 179.93 3bvl h ILE 109 N 0.25 1.00 -1.00 0.00 2.04 -1.19 0.24 117.51 118.85 3bvl h ILE 109 Ca 0.15 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.96 3bvl h ILE 109 Cb 0.12 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 3bvl h ILE 109 CO -0.15 0.04 0.66 0.11 0.00 0.00 0.00 178.15 178.81 3bvl h LYS 110 N 0.20 1.27 -0.64 2.37 1.57 -1.05 -2.30 116.57 118.00 3bvl h LYS 110 Ca 0.07 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3bvl h LYS 110 Cb 0.01 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.03 3bvl h LYS 110 CO -0.05 0.84 0.00 -1.13 -0.57 0.00 0.00 179.45 178.54 3bvl n SER 111 N -4.42 3.83 -2.78 0.86 3.41 -0.53 -4.93 113.62 109.07 3bvl n SER 111 Ca 0.13 -2.21 -0.21 0.00 -0.26 0.00 0.00 58.87 56.32 3bvl n SER 111 Cb 0.05 -0.49 0.01 0.00 -0.26 0.00 0.00 64.21 63.52 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 1.14 -3.37 -3.11 4.33 5.02 -0.75 -4.92 118.16 116.49 3bvl n LYS 112 Ca 0.22 0.86 -0.45 0.00 -2.02 0.00 0.00 58.31 56.92 3bvl n LYS 112 Cb 0.67 -5.62 -0.01 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 -2.41 6.98 0.07 4.39 -1.08 0.76 -4.81 116.67 120.57 3bvl s ASP 113 Ca 0.18 -2.88 0.25 0.00 -0.52 0.00 0.00 52.55 49.57 3bvl s ASP 113 Cb -0.08 -2.32 0.42 0.00 -1.46 0.00 0.00 42.92 39.48 3bvl s ASP 113 CO 0.22 -0.67 1.36 1.41 0.52 0.00 0.00 175.17 178.01 3bvl n HIS 114 N 4.79 0.32 -0.06 -5.34 8.25 -1.26 -1.82 115.22 120.09 3bvl n HIS 114 Ca 0.26 0.09 -0.10 0.00 -0.26 0.00 0.00 57.72 57.71 3bvl n HIS 114 Cb 0.44 -0.49 -0.04 0.00 1.12 0.00 0.00 29.99 31.02 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 2.71 0.28 -0.30 -1.41 0.00 -1.97 -0.43 119.26 118.14 3bvl h ALA 115 Ca 0.00 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 3bvl h ALA 115 Cb 0.65 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3bvl h ALA 115 CO 0.00 -0.16 -0.45 1.15 0.00 0.00 0.00 179.25 179.79 3bvl h THR 116 N 0.23 1.28 -0.05 0.00 2.02 -1.95 -1.03 112.91 113.42 3bvl h THR 116 Ca 0.08 -1.63 0.03 0.00 0.77 0.00 0.00 66.41 65.65 3bvl h THR 116 Cb 0.11 1.59 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 3bvl h THR 116 CO -0.01 0.53 -0.15 0.15 0.37 0.00 0.00 175.52 176.41 3bvl h PHE 117 N 0.61 -0.39 -0.70 3.16 3.57 -1.35 -1.82 116.94 120.02 3bvl h PHE 117 Ca 0.03 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.57 3bvl h PHE 117 Cb 1.05 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.93 3bvl h PHE 117 CO 0.07 -0.22 0.45 -0.97 -2.23 0.00 0.00 178.31 175.41 3bvl h ASN 118 N -0.23 0.75 -0.90 0.41 -0.73 -1.01 -3.01 115.58 110.86 3bvl h ASN 118 Ca 0.07 -0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.21 3bvl h ASN 118 Cb 0.32 -0.17 -0.04 0.00 0.27 0.00 0.00 38.32 38.69 3bvl h ASN 118 CO -0.18 0.53 0.49 0.15 -0.37 0.00 0.00 177.43 178.05 3bvl h PHE 119 N 0.89 1.24 0.00 0.67 3.04 -0.88 -3.05 116.94 118.85 3bvl h PHE 119 Ca 0.27 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.19 3bvl h PHE 119 Cb -0.03 -0.39 0.00 0.00 2.56 0.00 0.00 35.95 38.09 3bvl h PHE 119 CO -0.04 0.85 0.00 1.28 -2.02 0.00 0.00 178.31 178.39 3bvl n LEU 120 N -4.34 0.00 -0.06 0.59 4.77 -0.71 -4.03 117.00 113.22 3bvl n LEU 120 Ca 0.10 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.92 3bvl n LEU 120 Cb 0.10 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3bvl n LEU 120 CO 0.39 0.00 0.39 1.56 -1.33 0.00 0.00 177.39 178.40 3bvl h GLN 121 N 0.00 0.84 -0.82 3.23 1.08 -1.60 -0.29 115.11 117.56 3bvl h GLN 121 Ca 0.00 -0.57 0.12 0.00 -1.45 0.00 0.00 58.65 56.75 3bvl h GLN 121 Cb 0.00 0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.46 3bvl h GLN 121 CO 0.00 1.20 0.53 0.11 -0.95 0.00 0.00 178.83 179.72 3bvl h TRP 122 N 0.62 0.73 -0.02 2.96 5.08 -1.83 -1.65 115.95 121.85 3bvl h TRP 122 Ca -0.01 0.02 -0.21 0.00 1.08 0.00 0.00 58.89 59.78 3bvl h TRP 122 Cb 1.23 -0.23 0.02 0.00 -3.00 0.00 0.00 29.16 27.17 3bvl h TRP 122 CO 0.08 0.30 -0.79 -0.92 -1.28 0.00 0.00 178.44 175.82 3bvl h TYR 123 N 0.64 0.83 -0.08 0.12 3.20 -1.61 0.63 116.97 120.71 3bvl h TYR 123 Ca 0.39 -0.44 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3bvl h TYR 123 Cb 0.63 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.79 3bvl h TYR 123 CO -0.00 1.27 0.05 0.28 -1.64 0.00 0.00 178.16 178.11 3bvl h VAL 124 N 0.17 1.02 -0.50 1.81 2.07 -0.92 -1.32 116.25 118.57 3bvl h VAL 124 Ca -0.09 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3bvl h VAL 124 Cb 1.47 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 3bvl h VAL 124 CO 0.16 0.02 0.27 0.00 0.02 0.00 0.00 177.57 178.04 3bvl h ALA 125 N 1.03 0.64 -0.33 1.67 0.00 -1.20 -1.43 119.26 119.64 3bvl h ALA 125 Ca 0.03 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.67 3bvl h ALA 125 Cb -0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3bvl h ALA 125 CO -0.01 0.17 -0.48 0.93 0.00 0.00 0.00 179.25 179.86 3bvl h GLU 126 N 0.67 0.91 -0.52 0.00 5.08 -0.83 -2.46 114.58 117.43 3bvl h GLU 126 Ca 0.18 -0.54 -0.07 0.00 -1.00 0.00 0.00 59.36 57.93 3bvl h GLU 126 Cb 0.06 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3bvl h GLU 126 CO -0.03 1.18 0.04 0.37 -1.00 0.00 0.00 179.01 179.57 3bvl h GLN 127 N 0.72 0.89 -0.60 2.33 5.75 -1.18 -1.98 115.11 121.04 3bvl h GLN 127 Ca 0.03 -0.27 0.07 0.00 -0.15 0.00 0.00 58.65 58.34 3bvl h GLN 127 Cb 1.09 -0.09 -0.06 0.00 1.07 0.00 0.00 27.48 29.49 3bvl h GLN 127 CO 0.11 0.90 0.28 1.25 -2.65 0.00 0.00 178.83 178.73 3bvl h HIS 128 N 0.76 0.51 -0.87 3.99 2.76 -1.21 0.65 115.15 121.74 3bvl h HIS 128 Ca 0.15 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.40 3bvl h HIS 128 Cb 0.47 -0.14 -0.06 0.00 1.55 0.00 0.00 27.41 29.23 3bvl h HIS 128 CO 0.04 0.21 0.55 1.49 -1.30 0.00 0.00 177.93 178.91 3bvl h GLU 129 N 0.52 0.98 -0.24 5.26 4.22 -1.17 -1.18 114.58 122.98 3bvl h GLU 129 Ca 0.28 -0.06 -0.10 0.00 0.08 0.00 0.00 59.36 59.57 3bvl h GLU 129 Cb 0.25 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3bvl h GLU 129 CO -0.22 0.65 -0.22 0.93 -2.18 0.00 0.00 179.01 177.97 3bvl h GLU 130 N 1.01 0.58 -0.76 1.92 5.08 -0.59 -1.10 114.58 120.72 3bvl h GLU 130 Ca 0.37 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3bvl h GLU 130 Cb 0.14 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 3bvl h GLU 130 CO -0.16 0.89 0.49 1.49 -1.00 0.00 0.00 179.01 180.72 3bvl h GLU 131 N 0.28 1.01 -0.77 2.33 4.81 -0.71 -0.96 114.58 120.57 3bvl h GLU 131 Ca 0.04 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 3bvl h GLU 131 Cb 0.77 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 3bvl h GLU 131 CO 0.06 0.68 0.28 0.28 -0.73 0.00 0.00 179.01 179.58 3bvl h VAL 132 N 1.04 1.26 -0.17 0.32 2.07 -1.13 -1.75 116.25 117.88 3bvl h VAL 132 Ca 0.28 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3bvl h VAL 132 Cb -0.10 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3bvl h VAL 132 CO -0.06 0.35 0.09 0.25 0.02 0.00 0.00 177.57 178.21 3bvl h LEU 133 N 1.14 0.22 -1.04 2.57 5.85 -0.70 -0.13 115.31 123.21 3bvl h LEU 133 Ca 0.25 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 3bvl h LEU 133 Cb 0.26 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3bvl h LEU 133 CO -0.02 0.27 -0.06 -0.26 -0.34 0.00 0.00 178.44 178.03 3bvl h PHE 134 N 0.16 0.66 -0.35 1.25 -1.00 -1.10 -0.34 116.94 116.21 3bvl h PHE 134 Ca 0.06 -0.09 0.00 0.00 2.81 0.00 0.00 57.97 60.75 3bvl h PHE 134 Cb 0.10 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 3bvl h PHE 134 CO -0.03 0.67 0.23 -0.22 -1.61 0.00 0.00 178.31 177.35 3bvl h LYS 135 N 0.58 0.47 -0.58 1.51 3.11 -1.07 -1.16 116.57 119.42 3bvl h LYS 135 Ca 0.11 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 57.88 3bvl h LYS 135 Cb 0.45 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.55 3bvl h LYS 135 CO 0.02 0.31 0.21 -0.44 -2.81 0.00 0.00 179.45 176.75 3bvl h ASP 136 N 0.48 0.82 -0.12 4.20 3.32 -0.51 -0.10 116.42 124.50 3bvl h ASP 136 Ca 0.13 -0.19 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 3bvl h ASP 136 Cb -0.05 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 3bvl h ASP 136 CO -0.03 0.79 0.00 0.40 -1.72 0.00 0.00 179.24 178.68 3bvl h ILE 137 N 0.81 1.25 -0.46 0.35 2.04 -1.00 -1.33 117.51 119.16 3bvl h ILE 137 Ca 0.19 -0.80 0.04 0.00 1.00 0.00 0.00 64.86 65.29 3bvl h ILE 137 Cb 0.24 1.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 3bvl h ILE 137 CO -0.01 0.23 0.23 0.25 0.00 0.00 0.00 178.15 178.85 3bvl h LEU 138 N -0.04 0.33 -0.66 1.44 5.85 -1.16 0.30 115.31 121.37 3bvl h LEU 138 Ca 0.04 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.89 3bvl h LEU 138 Cb 0.35 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 3bvl h LEU 138 CO 0.01 0.23 0.25 0.44 -0.34 0.00 0.00 178.44 179.03 3bvl h ASP 139 N 0.45 0.25 -0.29 1.25 3.45 -0.89 -1.53 116.42 119.11 3bvl h ASP 139 Ca 0.20 0.09 -0.11 0.00 0.43 0.00 0.00 57.03 57.63 3bvl h ASP 139 Cb 0.11 0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 38.94 3bvl h ASP 139 CO -0.14 0.14 -0.26 0.50 -1.57 0.00 0.00 179.24 177.90 3bvl h LYS 140 N 0.43 0.69 -0.77 3.56 1.63 -0.52 -1.36 116.57 120.23 3bvl h LYS 140 Ca 0.34 -0.35 0.04 0.00 -0.85 0.00 0.00 60.65 59.83 3bvl h LYS 140 Cb 0.44 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.03 3bvl h LYS 140 CO -0.33 0.96 0.47 0.82 -3.45 0.00 0.00 179.45 177.92 3bvl h ILE 141 N 0.43 1.07 -0.22 2.00 2.04 -0.73 -0.70 117.51 121.39 3bvl h ILE 141 Ca 0.05 -0.31 -0.13 0.00 1.00 0.00 0.00 64.86 65.47 3bvl h ILE 141 Cb 0.82 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3bvl h ILE 141 CO 0.07 0.16 -0.40 -0.33 0.00 0.00 0.00 178.15 177.65 3bvl h GLU 142 N 0.90 0.52 -0.44 2.37 4.39 -1.17 -1.21 114.58 119.94 3bvl h GLU 142 Ca 0.32 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.71 3bvl h GLU 142 Cb 0.09 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 3bvl h GLU 142 CO -0.14 0.83 0.09 1.25 -1.16 0.00 0.00 179.01 179.88 3bvl h LEU 143 N 0.43 0.68 0.07 1.33 5.85 -0.79 -3.26 115.31 119.62 3bvl h LEU 143 Ca 0.04 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 3bvl h LEU 143 Cb 0.88 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3bvl h LEU 143 CO 0.08 0.75 -0.03 0.40 -0.34 0.00 0.00 178.44 179.30 3bvl h ILE 144 N 0.58 1.17 0.00 4.05 2.04 -1.06 -3.50 117.51 120.79 3bvl h ILE 144 Ca 0.14 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.12 3bvl h ILE 144 Cb 0.35 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 3bvl h ILE 144 CO 0.01 0.22 0.00 0.61 0.00 0.00 0.00 178.15 178.98 3bvl n GLY 145 N -0.04 -0.72 0.00 5.37 0.00 -0.47 -4.73 105.19 104.61 3bvl n GLY 145 Ca -0.08 -1.73 0.10 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.75 0.84 -4.69 1.61 6.94 -1.26 -4.01 115.26 113.94 3bvl n ASN 146 Ca 0.00 -0.84 -0.34 0.00 -0.02 0.00 0.00 54.58 53.37 3bvl n ASN 146 Cb 0.00 1.16 0.11 0.00 -2.36 0.00 0.00 39.78 38.69 3bvl n ASN 146 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 3bvl n GLU 147 N -1.62 0.41 0.00 -3.83 2.13 -1.26 -4.34 120.64 112.13 3bvl n GLU 147 Ca 0.03 0.21 0.00 0.00 0.66 0.00 0.00 57.16 58.06 3bvl n GLU 147 Cb 0.37 -2.43 0.00 0.00 0.27 0.00 0.00 31.44 29.64 3bvl n GLU 147 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3bvl n ASN 148 N -2.80 0.00 0.00 4.31 6.94 -1.26 0.32 115.26 122.77 3bvl n ASN 148 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.70 3bvl n ASN 148 Cb 0.50 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.92 3bvl n ASN 148 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3bvl n HIS 149 N 0.00 0.00 -0.22 -2.53 8.25 -1.26 -4.91 115.22 114.55 3bvl n HIS 149 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 3bvl n HIS 149 Cb 0.00 -0.43 0.08 0.00 1.12 0.00 0.00 29.99 30.75 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 0.93 0.99 -1.41 0.00 -0.33 0.27 103.07 103.53 3bvl h GLY 150 Ca 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.06 3bvl h GLY 150 CO 0.00 0.21 0.27 1.41 0.00 0.00 0.00 176.54 178.43 3bvl h LEU 151 N 0.73 0.46 -0.19 3.11 3.38 -1.77 -0.08 115.31 120.95 3bvl h LEU 151 Ca 0.27 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.24 3bvl h LEU 151 Cb 0.09 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3bvl h LEU 151 CO -0.14 0.33 0.10 0.22 0.09 0.00 0.00 178.44 179.05 3bvl h TYR 152 N 0.54 0.19 -0.51 1.13 3.20 -1.85 -0.47 116.97 119.20 3bvl h TYR 152 Ca 0.15 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.05 3bvl h TYR 152 Cb -0.05 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 3bvl h TYR 152 CO -0.05 0.11 0.31 -0.07 -1.64 0.00 0.00 178.16 176.82 3bvl h LEU 153 N 0.21 0.51 -0.47 2.82 3.38 -0.75 -0.91 115.31 120.09 3bvl h LEU 153 Ca 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3bvl h LEU 153 Cb 0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3bvl h LEU 153 CO -0.04 0.36 0.15 0.00 0.09 0.00 0.00 178.44 179.00 3bvl h ALA 154 N 1.22 0.62 -0.76 1.53 0.00 -0.85 -1.60 119.26 119.41 3bvl h ALA 154 Ca 0.20 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3bvl h ALA 154 Cb 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3bvl h ALA 154 CO -0.08 0.27 0.27 0.22 0.00 0.00 0.00 179.25 179.92 3bvl h ASP 155 N 0.63 1.09 -0.16 0.00 3.58 -0.80 -1.37 116.42 119.38 3bvl h ASP 155 Ca 0.15 -0.19 -0.10 0.00 0.42 0.00 0.00 57.03 57.32 3bvl h ASP 155 Cb 0.26 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 3bvl h ASP 155 CO -0.01 0.99 -0.21 1.56 -2.88 0.00 0.00 179.24 178.69 3bvl h GLN 156 N 1.13 0.59 -0.14 0.28 1.08 -1.05 0.99 115.11 117.99 3bvl h GLN 156 Ca 0.25 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3bvl h GLN 156 Cb 0.27 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 3bvl h GLN 156 CO -0.01 0.76 0.07 -0.92 -0.95 0.00 0.00 178.83 177.78 3bvl h TYR 157 N 0.52 0.19 -0.63 2.96 3.20 -0.89 -1.77 116.97 120.56 3bvl h TYR 157 Ca 0.08 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 3bvl h TYR 157 Cb 0.65 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 3bvl h TYR 157 CO 0.03 0.23 0.15 0.28 -1.64 0.00 0.00 178.16 177.20 3bvl h VAL 158 N 0.10 1.25 -0.49 1.81 2.07 -1.05 -2.65 116.25 117.29 3bvl h VAL 158 Ca 0.05 -0.92 0.07 0.00 0.82 0.00 0.00 66.70 66.72 3bvl h VAL 158 Cb 0.10 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 3bvl h VAL 158 CO -0.01 0.35 0.16 0.50 0.02 0.00 0.00 177.57 178.59 3bvl h LYS 159 N 0.95 0.32 -0.84 1.57 3.64 -0.64 0.08 116.57 121.64 3bvl h LYS 159 Ca 0.20 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 3bvl h LYS 159 Cb 0.35 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 3bvl h LYS 159 CO 0.00 0.21 0.53 0.78 -2.27 0.00 0.00 179.45 178.71 3bvl h GLY 160 N 0.32 1.24 0.89 5.01 0.00 -1.01 -1.16 103.07 108.36 3bvl h GLY 160 Ca 0.23 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 3bvl h GLY 160 CO -0.25 0.32 0.08 -2.22 0.00 0.00 0.00 176.54 174.47 3bvl h ILE 161 N 1.02 1.20 -0.77 2.60 2.04 -1.10 -1.74 117.51 120.75 3bvl h ILE 161 Ca 0.35 -0.63 0.08 0.00 1.00 0.00 0.00 64.86 65.66 3bvl h ILE 161 Cb 0.06 1.13 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 3bvl h ILE 161 CO -0.14 0.21 0.43 0.00 0.00 0.00 0.00 178.15 178.65 3bvl h ALA 162 N 0.91 1.07 -0.28 1.87 0.00 -0.47 -1.51 119.26 120.85 3bvl h ALA 162 Ca 0.08 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 3bvl h ALA 162 Cb 0.24 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3bvl h ALA 162 CO -0.00 0.08 -0.54 0.87 0.00 0.00 0.00 179.25 179.65 3bvl h LYS 163 N 0.75 0.83 0.00 0.00 1.57 -1.17 -3.21 116.57 115.34 3bvl h LYS 163 Ca 0.36 -0.52 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 3bvl h LYS 163 Cb 0.30 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 3bvl h LYS 163 CO -0.23 1.15 -0.14 0.66 -0.57 0.00 0.00 179.45 180.32 3bvl h SER 164 N 0.64 0.00 -0.23 0.86 4.64 -0.86 -2.54 113.55 116.06 3bvl h SER 164 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3bvl h SER 164 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3bvl h SER 164 CO 0.12 0.14 0.00 0.54 -0.87 0.00 0.00 176.83 176.76 3bvl n ARG 165 N -3.27 2.40 -0.41 4.77 1.74 -0.61 -5.09 116.66 116.19 3bvl n ARG 165 Ca 0.01 -1.18 0.00 0.00 -0.77 0.00 0.00 57.85 55.90 3bvl n ARG 165 Cb 0.41 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 3bvl n ARG 165 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47