#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 3.54 0.08 -1.40 5.65 -1.26 -5.08 115.29 116.82 3bvl s HIS 1004Ca 0.00 1.07 0.04 0.00 0.25 0.00 0.00 55.06 56.42 3bvl s HIS 1004Cb 0.00 -2.69 -0.04 0.00 -1.18 0.00 0.00 32.58 28.67 3bvl s HIS 1004CO 0.00 0.11 0.00 -1.12 -0.65 0.00 0.00 174.74 173.08 3bvl s SER 1003N 0.74 5.05 0.48 9.88 0.01 -1.26 -5.10 113.70 123.50 3bvl s SER 1003Ca 0.32 -0.16 -0.23 0.00 1.31 0.00 0.00 55.95 57.19 3bvl s SER 1003Cb -0.16 -1.22 -0.07 0.00 0.21 0.00 0.00 66.02 64.78 3bvl s SER 1003CO 0.14 0.18 1.25 -1.10 0.41 0.00 0.00 173.24 174.13 3bvl s GLN 1002N -2.25 3.60 0.85 12.44 -1.52 -1.26 -4.98 119.66 126.53 3bvl s GLN 1002Ca 0.25 2.00 -0.13 0.00 -1.95 0.00 0.00 55.36 55.54 3bvl s GLN 1002Cb -0.12 -2.43 0.09 0.00 -0.22 0.00 0.00 33.01 30.33 3bvl s GLN 1002CO 0.18 -0.74 1.06 -0.25 -0.25 0.00 0.00 175.29 175.28 3bvl n ASP 1001N -0.53 0.37 -4.59 5.90 8.00 -1.26 -4.94 116.55 119.50 3bvl n ASP 1001Ca 0.08 0.52 -0.43 0.00 0.71 0.00 0.00 54.79 55.66 3bvl n ASP 1001Cb 0.46 -1.45 -0.00 0.00 -0.02 0.00 0.00 41.12 40.11 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 -3.18 1.32 0.00 -0.24 -0.02 -1.24 -4.82 135.00 126.82 3bvl n PRO 0 Ca 0.12 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 62.19 3bvl n PRO 0 Cb 0.51 -1.91 0.23 0.00 -0.02 0.00 0.00 33.50 32.32 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 0.49 1.02 -4.30 -0.52 2.81 0.16 -4.90 117.12 111.89 3bvl n MET 1 Ca 0.09 -0.72 -0.25 0.00 -1.81 0.00 0.00 57.70 55.02 3bvl n MET 1 Cb 0.35 -1.49 -0.08 0.00 -0.71 0.00 0.00 33.22 31.30 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 -2.47 3.07 0.75 4.03 1.43 -1.26 -5.12 118.68 119.11 3bvl s LEU 2 Ca 0.23 -0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 52.60 3bvl s LEU 2 Cb 0.19 -1.67 0.05 0.00 0.03 0.00 0.00 46.19 44.78 3bvl s LEU 2 CO 0.53 0.06 1.09 -0.94 0.23 0.00 0.00 176.35 177.31 3bvl s SER 3 N -3.22 4.68 0.23 2.29 1.04 -1.26 -4.82 113.70 112.64 3bvl s SER 3 Ca 0.28 1.79 -0.06 0.00 0.48 0.00 0.00 55.95 58.44 3bvl s SER 3 Cb -0.08 -2.52 0.35 0.00 0.10 0.00 0.00 66.02 63.88 3bvl s SER 3 CO 0.17 -1.92 1.77 0.11 0.98 0.00 0.00 173.24 174.36 3bvl h LYS 4 N -1.01 0.57 -0.28 4.02 1.57 -1.99 -0.56 116.57 118.89 3bvl h LYS 4 Ca -0.44 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.27 3bvl h LYS 4 Cb 1.23 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3bvl h LYS 4 CO 0.52 0.38 0.02 -0.44 -0.57 0.00 0.00 179.45 179.36 3bvl h ASP 5 N 0.59 0.47 -0.49 0.86 3.32 -1.99 -1.26 116.42 117.92 3bvl h ASP 5 Ca 0.36 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 3bvl h ASP 5 Cb 0.40 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3bvl h ASP 5 CO -0.28 0.64 0.00 0.40 -1.72 0.00 0.00 179.24 178.28 3bvl h ILE 6 N 0.28 1.25 -0.22 0.35 1.08 -1.86 -1.69 117.51 116.70 3bvl h ILE 6 Ca 0.08 -1.07 0.00 0.00 -0.39 0.00 0.00 64.86 63.49 3bvl h ILE 6 Cb 0.39 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 34.96 3bvl h ILE 6 CO 0.01 0.38 0.14 0.40 -0.69 0.00 0.00 178.15 178.40 3bvl h ILE 7 N 0.84 1.05 -0.14 -0.67 2.04 -1.00 -1.10 117.51 118.53 3bvl h ILE 7 Ca 0.16 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.95 3bvl h ILE 7 Cb 0.49 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 3bvl h ILE 7 CO 0.02 0.05 -0.07 0.50 0.00 0.00 0.00 178.15 178.65 3bvl h LYS 8 N 0.29 -0.06 -0.74 2.37 3.64 -0.97 -1.17 116.57 119.93 3bvl h LYS 8 Ca 0.08 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 3bvl h LYS 8 Cb -0.02 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 3bvl h LYS 8 CO -0.03 -0.04 0.23 -0.07 -2.27 0.00 0.00 179.45 177.28 3bvl h LEU 9 N -0.06 1.07 -0.33 5.20 3.38 -1.18 -0.87 115.31 122.52 3bvl h LEU 9 Ca 0.08 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 3bvl h LEU 9 Cb 0.18 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3bvl h LEU 9 CO -0.18 1.00 -0.37 -0.07 0.09 0.00 0.00 178.44 178.90 3bvl h LEU 10 N 1.09 0.90 -0.68 1.67 3.38 -1.06 -1.59 115.31 119.02 3bvl h LEU 10 Ca 0.24 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 3bvl h LEU 10 Cb 0.31 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3bvl h LEU 10 CO -0.01 1.20 0.19 0.78 0.09 0.00 0.00 178.44 180.69 3bvl h ASN 11 N 0.62 1.01 -0.61 -0.43 2.35 -1.09 -0.61 115.58 116.82 3bvl h ASN 11 Ca 0.05 -0.22 0.06 0.00 -0.55 0.00 0.00 56.30 55.64 3bvl h ASN 11 Cb 0.96 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 39.02 3bvl h ASN 11 CO 0.09 0.96 0.32 -0.08 -1.65 0.00 0.00 177.43 177.07 3bvl h GLU 12 N 1.00 0.57 -0.59 0.81 4.81 -1.09 -2.36 114.58 117.74 3bvl h GLU 12 Ca 0.22 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.32 3bvl h GLU 12 Cb 0.33 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3bvl h GLU 12 CO -0.00 0.38 -0.01 0.37 -0.73 0.00 0.00 179.01 179.02 3bvl h GLN 13 N 0.59 1.04 -0.12 1.92 5.75 -0.81 0.90 115.11 124.39 3bvl h GLN 13 Ca 0.28 -0.33 0.04 0.00 -0.15 0.00 0.00 58.65 58.48 3bvl h GLN 13 Cb 0.20 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.62 3bvl h GLN 13 CO -0.19 1.03 -0.13 0.28 -2.65 0.00 0.00 178.83 177.17 3bvl h VAL 14 N 0.95 0.65 -0.31 2.39 2.07 -0.84 -0.52 116.25 120.65 3bvl h VAL 14 Ca 0.17 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.61 3bvl h VAL 14 Cb 0.56 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3bvl h VAL 14 CO 0.03 0.00 -0.12 0.78 0.02 0.00 0.00 177.57 178.28 3bvl h ASN 15 N -0.16 0.51 -0.50 0.57 2.35 -1.14 -1.92 115.58 115.30 3bvl h ASN 15 Ca 0.09 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3bvl h ASN 15 Cb 0.28 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3bvl h ASN 15 CO -0.21 0.67 0.25 0.50 -1.65 0.00 0.00 177.43 176.98 3bvl h LYS 16 N 0.49 0.71 -0.41 0.81 3.64 -0.42 -0.83 116.57 120.56 3bvl h LYS 16 Ca 0.09 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 3bvl h LYS 16 Cb 0.50 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3bvl h LYS 16 CO 0.03 0.58 -0.11 0.93 -2.27 0.00 0.00 179.45 178.62 3bvl h GLU 17 N 0.66 0.72 -0.28 1.90 4.39 -0.82 -0.06 114.58 121.09 3bvl h GLU 17 Ca 0.17 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 3bvl h GLU 17 Cb 0.10 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3bvl h GLU 17 CO -0.02 0.80 -0.04 0.52 -1.16 0.00 0.00 179.01 179.11 3bvl h MET 18 N 0.65 0.53 -0.40 2.33 2.86 -1.13 0.10 114.93 119.88 3bvl h MET 18 Ca 0.11 -0.19 0.05 0.00 -2.06 0.00 0.00 59.70 57.61 3bvl h MET 18 Cb 0.56 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.14 3bvl h MET 18 CO 0.03 0.71 0.14 -0.91 1.06 0.00 0.00 176.91 177.95 3bvl h ASN 19 N 0.30 0.15 -0.41 1.22 2.35 -1.01 -2.36 115.58 115.82 3bvl h ASN 19 Ca 0.08 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.89 3bvl h ASN 19 Cb 0.50 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.87 3bvl h ASN 19 CO 0.02 0.12 0.23 -1.28 -1.65 0.00 0.00 177.43 174.87 3bvl h SER 20 N 0.30 0.35 -0.38 5.81 0.87 -0.83 -1.29 113.55 118.39 3bvl h SER 20 Ca 0.18 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.82 3bvl h SER 20 Cb 0.16 -0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 62.00 3bvl h SER 20 CO -0.19 0.25 0.03 -1.28 -0.53 0.00 0.00 176.83 175.12 3bvl h SER 21 N 0.46 -0.09 0.16 6.23 0.87 -0.58 -0.98 113.55 119.61 3bvl h SER 21 Ca 0.17 0.08 -0.10 0.00 -1.23 0.00 0.00 61.79 60.71 3bvl h SER 21 Cb 0.03 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 3bvl h SER 21 CO -0.09 -0.01 -0.35 0.78 -0.53 0.00 0.00 176.83 176.63 3bvl h ASN 22 N 0.14 0.28 -0.51 6.23 4.21 -1.11 -1.24 115.58 123.59 3bvl h ASN 22 Ca 0.19 -0.11 0.01 0.00 1.21 0.00 0.00 56.30 57.60 3bvl h ASN 22 Cb 0.25 -0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 37.34 3bvl h ASN 22 CO -0.28 0.62 0.33 0.25 -1.29 0.00 0.00 177.43 177.05 3bvl h LEU 23 N 0.24 0.56 -0.88 1.61 5.85 -0.62 -1.22 115.31 120.84 3bvl h LEU 23 Ca 0.03 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 3bvl h LEU 23 Cb 0.73 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3bvl h LEU 23 CO 0.06 0.40 -0.39 1.88 -0.34 0.00 0.00 178.44 180.05 3bvl h TYR 24 N 0.66 0.40 -0.88 1.25 0.05 -0.76 -0.38 116.97 117.32 3bvl h TYR 24 Ca 0.19 -0.11 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 3bvl h TYR 24 Cb -0.05 -0.09 -0.04 0.00 1.01 0.00 0.00 36.73 37.56 3bvl h TYR 24 CO -0.05 0.69 0.47 0.52 -1.05 0.00 0.00 178.16 178.74 3bvl h MET 25 N 0.29 1.23 -0.17 4.88 2.86 -0.99 0.17 114.93 123.20 3bvl h MET 25 Ca 0.03 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 3bvl h MET 25 Cb 0.81 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 3bvl h MET 25 CO 0.06 0.91 0.03 1.03 1.06 0.00 0.00 176.91 180.01 3bvl h SER 26 N 1.23 0.27 -0.55 1.22 0.87 -0.64 -0.90 113.55 115.04 3bvl h SER 26 Ca 0.31 -0.26 0.02 0.00 -1.23 0.00 0.00 61.79 60.63 3bvl h SER 26 Cb 0.05 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 3bvl h SER 26 CO -0.05 0.46 0.35 0.24 -0.53 0.00 0.00 176.83 177.30 3bvl h MET 27 N 0.07 0.67 -0.35 2.24 2.07 -0.92 -1.96 114.93 116.75 3bvl h MET 27 Ca 0.05 -0.04 0.05 0.00 -2.07 0.00 0.00 59.70 57.69 3bvl h MET 27 Cb 0.30 -0.15 -0.05 0.00 -1.87 0.00 0.00 31.60 29.84 3bvl h MET 27 CO 0.00 0.44 0.08 1.03 1.07 0.00 0.00 176.91 179.54 3bvl h SER 28 N 0.69 0.04 -0.81 1.22 0.87 -0.55 -1.97 113.55 113.04 3bvl h SER 28 Ca 0.22 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 3bvl h SER 28 Cb -0.02 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 61.97 3bvl h SER 28 CO -0.08 0.06 0.51 -1.28 -0.53 0.00 0.00 176.83 175.51 3bvl h SER 29 N 0.21 0.96 -0.35 6.23 0.87 -0.89 -0.81 113.55 119.76 3bvl h SER 29 Ca 0.17 -0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.72 3bvl h SER 29 Cb 0.18 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.86 3bvl h SER 29 CO -0.21 0.72 0.10 -0.25 -0.53 0.00 0.00 176.83 176.67 3bvl h TRP 30 N 1.11 0.18 -0.22 2.24 7.01 -1.03 -1.07 115.95 124.18 3bvl h TRP 30 Ca 0.29 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.31 3bvl h TRP 30 Cb -0.08 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 3bvl h TRP 30 CO -0.01 0.07 0.13 0.00 -2.79 0.00 0.00 178.44 175.84 3bvl h TYR 32 N 0.27 0.62 -0.01 0.00 0.99 -0.81 0.11 116.97 118.15 3bvl h TYR 32 Ca 0.08 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.82 3bvl h TYR 32 Cb 0.01 -0.21 0.00 0.00 1.00 0.00 0.00 36.73 37.53 3bvl h TYR 32 CO -0.05 0.38 -0.08 0.25 -0.00 0.00 0.00 178.16 178.65 3bvl n THR 33 N -4.46 0.00 -1.53 -2.88 -2.24 -0.44 -3.63 114.28 99.11 3bvl n THR 33 Ca 0.05 -0.16 0.05 0.00 -2.27 0.00 0.00 64.05 61.73 3bvl n THR 33 Cb 0.09 0.25 0.20 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.37 0.13 -1.39 4.78 8.25 -0.67 -4.97 115.22 120.99 3bvl n HIS 34 Ca 0.17 -1.46 -0.13 0.00 -0.26 0.00 0.00 57.72 56.04 3bvl n HIS 34 Cb 0.31 -0.27 -0.06 0.00 1.12 0.00 0.00 29.99 31.09 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 -1.15 -4.75 -3.64 0.41 7.64 -1.13 -4.94 113.62 106.06 3bvl n SER 35 Ca 0.20 0.33 -0.35 0.00 1.01 0.00 0.00 58.87 60.06 3bvl n SER 35 Cb 0.73 -3.42 -0.03 0.00 -1.01 0.00 0.00 64.21 60.48 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 -1.51 5.33 0.26 -3.43 4.77 0.31 -4.86 117.00 117.87 3bvl n LEU 36 Ca -0.13 -5.37 0.15 0.00 -0.03 0.00 0.00 56.01 50.63 3bvl n LEU 36 Cb 0.46 -0.96 0.54 0.00 -2.33 0.00 0.00 43.42 41.13 3bvl n LEU 36 CO 0.20 1.93 0.93 -2.24 -1.33 0.00 0.00 177.39 176.88 3bvl h ASP 37 N 4.59 0.00 0.37 -1.43 2.03 -1.87 0.04 116.42 120.15 3bvl h ASP 37 Ca 0.23 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.51 3bvl h ASP 37 Cb 0.59 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.09 3bvl h ASP 37 CO 1.08 0.04 -0.18 1.23 -1.03 0.00 0.00 179.24 180.38 3bvl h GLY 38 N 2.46 -0.52 1.24 7.15 0.00 -1.89 -0.19 103.07 111.31 3bvl h GLY 38 Ca -0.00 0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 3bvl h GLY 38 CO 0.00 -0.19 0.13 0.00 0.00 0.00 0.00 176.54 176.48 3bvl h ALA 39 N -0.14 1.09 -0.28 3.60 0.00 -1.71 -1.67 119.26 120.15 3bvl h ALA 39 Ca -0.05 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.66 3bvl h ALA 39 Cb 0.49 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3bvl h ALA 39 CO 0.08 0.60 0.06 0.78 0.00 0.00 0.00 179.25 180.77 3bvl h GLY 40 N 1.02 0.32 0.83 0.00 0.00 -0.92 0.25 103.07 104.58 3bvl h GLY 40 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 3bvl h GLY 40 CO 0.00 -0.01 0.04 -2.00 0.00 0.00 0.00 176.54 174.57 3bvl h LEU 41 N 0.16 0.21 -0.45 3.11 5.85 -0.88 -1.20 115.31 122.11 3bvl h LEU 41 Ca 0.13 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.68 3bvl h LEU 41 Cb 0.13 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 3bvl h LEU 41 CO -0.17 0.38 0.16 0.15 -0.34 0.00 0.00 178.44 178.62 3bvl h PHE 42 N 0.03 0.29 -0.11 1.25 3.57 -1.06 -1.20 116.94 119.70 3bvl h PHE 42 Ca 0.04 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.40 3bvl h PHE 42 Cb 0.25 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 3bvl h PHE 42 CO 0.01 0.10 -0.64 -0.07 -2.23 0.00 0.00 178.31 175.48 3bvl h LEU 43 N 0.34 0.49 0.02 0.59 3.38 -0.90 -1.47 115.31 117.76 3bvl h LEU 43 Ca 0.21 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3bvl h LEU 43 Cb 0.21 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3bvl h LEU 43 CO -0.22 1.00 -0.01 0.15 0.09 0.00 0.00 178.44 179.46 3bvl h PHE 44 N 0.31 -0.03 -0.72 1.13 3.57 -0.98 0.04 116.94 120.25 3bvl h PHE 44 Ca -0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3bvl h PHE 44 Cb 1.19 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 3bvl h PHE 44 CO 0.04 -0.02 0.39 -0.44 -2.23 0.00 0.00 178.31 176.05 3bvl h ASP 45 N -0.03 0.90 -0.42 0.41 3.32 -1.12 -1.46 116.42 118.02 3bvl h ASP 45 Ca -0.00 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 56.90 3bvl h ASP 45 Cb 0.03 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3bvl h ASP 45 CO -0.00 0.73 -0.02 -0.74 -1.72 0.00 0.00 179.24 177.49 3bvl h HIS 46 N 1.01 0.82 -0.50 4.55 2.76 -1.14 -1.96 115.15 120.70 3bvl h HIS 46 Ca 0.26 -0.15 0.08 0.00 -2.20 0.00 0.00 60.37 58.36 3bvl h HIS 46 Cb 0.04 -0.21 -0.07 0.00 1.55 0.00 0.00 27.41 28.72 3bvl h HIS 46 CO 0.01 0.83 0.12 0.00 -1.30 0.00 0.00 177.93 177.59 3bvl h ALA 47 N 0.89 0.58 -0.74 5.26 0.00 -0.60 -1.60 119.26 123.04 3bvl h ALA 47 Ca 0.12 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3bvl h ALA 47 Cb 0.51 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3bvl h ALA 47 CO 0.03 -0.28 0.41 0.00 0.00 0.00 0.00 179.25 179.40 3bvl h ALA 48 N 1.37 1.34 -0.29 0.00 0.00 -1.11 -2.56 119.26 118.01 3bvl h ALA 48 Ca 0.25 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3bvl h ALA 48 Cb 0.32 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3bvl h ALA 48 CO -0.30 0.55 -0.27 1.49 0.00 0.00 0.00 179.25 180.71 3bvl h GLU 49 N 1.03 0.57 -0.73 0.00 4.57 -0.60 -2.31 114.58 117.11 3bvl h GLU 49 Ca 0.26 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 3bvl h GLU 49 Cb 0.01 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 3bvl h GLU 49 CO -0.04 0.79 0.38 0.93 -1.18 0.00 0.00 179.01 179.89 3bvl h GLU 50 N 0.50 1.02 -0.75 1.92 4.39 -0.93 -1.42 114.58 119.32 3bvl h GLU 50 Ca 0.07 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 3bvl h GLU 50 Cb 0.72 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 3bvl h GLU 50 CO 0.06 0.78 0.30 -0.92 -1.16 0.00 0.00 179.01 178.07 3bvl h TYR 51 N 1.01 1.12 -0.94 4.33 3.20 -1.27 -1.63 116.97 122.79 3bvl h TYR 51 Ca 0.25 -0.08 0.04 0.00 3.14 0.00 0.00 58.73 62.09 3bvl h TYR 51 Cb 0.06 -0.34 -0.06 0.00 1.54 0.00 0.00 36.73 37.93 3bvl h TYR 51 CO 0.00 0.85 0.60 0.93 -1.64 0.00 0.00 178.16 178.90 3bvl h GLU 52 N 1.08 1.12 -0.34 1.82 4.39 -0.89 -0.29 114.58 121.47 3bvl h GLU 52 Ca 0.25 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.88 3bvl h GLU 52 Cb 0.19 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 3bvl h GLU 52 CO -0.02 0.74 0.21 0.45 -1.16 0.00 0.00 179.01 179.23 3bvl h HIS 53 N 1.15 0.45 -0.73 4.33 3.86 -0.74 -1.06 115.15 122.41 3bvl h HIS 53 Ca 0.38 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.65 3bvl h HIS 53 Cb 0.05 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 28.32 3bvl h HIS 53 CO -0.01 0.31 0.43 0.00 0.86 0.00 0.00 177.93 179.52 3bvl h ALA 54 N 1.10 0.98 -0.72 2.45 0.00 -0.64 -1.43 119.26 120.99 3bvl h ALA 54 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3bvl h ALA 54 Cb -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3bvl h ALA 54 CO -0.02 0.15 0.37 0.87 0.00 0.00 0.00 179.25 180.61 3bvl h LYS 55 N 0.80 1.03 -0.41 0.00 1.57 -0.77 -1.10 116.57 117.68 3bvl h LYS 55 Ca 0.32 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.89 3bvl h LYS 55 Cb 0.15 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3bvl h LYS 55 CO -0.17 0.79 -0.03 0.87 -0.57 0.00 0.00 179.45 180.34 3bvl h LYS 56 N 1.00 0.69 -0.52 3.15 1.57 -0.60 -0.24 116.57 121.62 3bvl h LYS 56 Ca 0.25 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.72 3bvl h LYS 56 Cb 0.08 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3bvl h LYS 56 CO -0.04 0.73 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.35 3bvl h LEU 57 N 0.64 1.04 -0.47 2.94 3.38 -1.02 -2.53 115.31 119.30 3bvl h LEU 57 Ca 0.12 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3bvl h LEU 57 Cb 0.45 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3bvl h LEU 57 CO 0.02 1.17 0.28 0.40 0.09 0.00 0.00 178.44 180.40 3bvl h ILE 58 N 0.90 1.15 -0.58 1.22 2.04 -0.65 -1.04 117.51 120.54 3bvl h ILE 58 Ca 0.13 -0.35 0.07 0.00 1.00 0.00 0.00 64.86 65.71 3bvl h ILE 58 Cb 0.73 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.29 3bvl h ILE 58 CO 0.06 0.15 0.26 0.40 0.00 0.00 0.00 178.15 179.02 3bvl h ILE 59 N 0.62 0.87 -0.79 -0.67 2.04 -0.98 0.12 117.51 118.73 3bvl h ILE 59 Ca 0.17 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 3bvl h ILE 59 Cb 0.00 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 3bvl h ILE 59 CO -0.03 0.09 0.32 0.15 0.00 0.00 0.00 178.15 178.68 3bvl h PHE 60 N 0.49 1.20 -0.13 1.37 3.57 -1.00 -0.85 116.94 121.57 3bvl h PHE 60 Ca 0.27 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3bvl h PHE 60 Cb 0.26 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 3bvl h PHE 60 CO -0.13 0.90 0.05 -0.07 -2.23 0.00 0.00 178.31 176.84 3bvl h LEU 61 N 1.14 0.18 -0.44 0.59 3.38 -0.45 -2.66 115.31 117.06 3bvl h LEU 61 Ca 0.26 -0.17 0.08 0.00 0.09 0.00 0.00 57.88 58.15 3bvl h LEU 61 Cb 0.21 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 3bvl h LEU 61 CO -0.02 0.30 -0.00 0.78 0.09 0.00 0.00 178.44 179.59 3bvl h ASN 62 N 0.05 -0.19 0.34 -0.43 2.35 -0.52 -0.78 115.58 116.40 3bvl h ASN 62 Ca 0.04 0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 3bvl h ASN 62 Cb 0.18 0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 3bvl h ASN 62 CO -0.00 -0.06 -0.14 1.05 -1.65 0.00 0.00 177.43 176.62 3bvl h GLU 63 N 0.11 0.00 -0.47 0.81 4.11 -1.07 -1.46 114.58 116.60 3bvl h GLU 63 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 3bvl h GLU 63 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3bvl h GLU 63 CO -0.37 0.14 0.00 0.09 0.07 0.00 0.00 179.01 178.94 3bvl n ASN 64 N -3.78 2.48 -3.02 3.06 3.02 -0.81 -4.93 115.26 111.29 3bvl n ASN 64 Ca -0.02 -2.05 -0.22 0.00 -0.03 0.00 0.00 54.58 52.26 3bvl n ASN 64 Cb 0.25 -0.32 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 0.75 -5.39 -4.52 6.41 4.13 -0.55 -0.66 115.26 115.42 3bvl n ASN 65 Ca 0.15 -0.26 -0.38 0.00 1.68 0.00 0.00 54.58 55.77 3bvl n ASN 65 Cb 0.41 -4.39 -0.12 0.00 -1.54 0.00 0.00 39.78 34.14 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 -3.07 4.89 0.22 2.41 1.01 -0.36 -3.65 120.40 121.83 3bvl s VAL 66 Ca 0.28 -0.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.94 3bvl s VAL 66 Cb -0.13 -3.33 -0.11 0.00 0.00 0.00 0.00 36.38 32.81 3bvl s VAL 66 CO 0.35 0.26 1.59 -2.84 0.00 0.00 0.00 175.10 174.46 3bvl s PRO 67 N 1.69 4.18 0.00 2.72 0.02 -1.26 -4.12 135.00 138.24 3bvl s PRO 67 Ca 0.07 2.46 -0.30 0.00 0.02 0.00 0.00 61.00 63.24 3bvl s PRO 67 Cb -0.16 -3.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 3bvl s PRO 67 CO 0.08 -0.61 1.01 0.08 -0.33 0.00 0.00 177.00 177.23 3bvl s VAL 68 N 0.71 4.75 -0.46 3.83 1.01 -1.26 -5.02 120.40 123.96 3bvl s VAL 68 Ca 0.68 1.98 -0.08 0.00 0.00 0.00 0.00 61.98 64.55 3bvl s VAL 68 Cb -0.46 -4.27 0.12 0.00 0.00 0.00 0.00 36.38 31.77 3bvl s VAL 68 CO 0.37 0.15 0.32 -1.58 0.00 0.00 0.00 175.10 174.35 3bvl s GLN 69 N 1.06 2.41 -0.24 2.72 0.74 -1.26 -5.06 119.66 120.02 3bvl s GLN 69 Ca 0.53 -1.76 -0.20 0.00 0.05 0.00 0.00 55.36 53.99 3bvl s GLN 69 Cb -0.22 -3.86 -0.02 0.00 1.10 0.00 0.00 33.01 30.01 3bvl s GLN 69 CO 0.28 -1.16 0.60 -0.51 -0.55 0.00 0.00 175.29 173.94 3bvl s LEU 70 N 1.33 4.08 0.69 3.68 1.43 -1.26 -4.89 118.68 123.74 3bvl s LEU 70 Ca 0.06 0.69 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 3bvl s LEU 70 Cb -0.25 -2.81 0.11 0.00 0.03 0.00 0.00 46.19 43.27 3bvl s LEU 70 CO -0.01 -0.31 0.95 0.42 0.23 0.00 0.00 176.35 177.62 3bvl s THR 71 N 2.26 2.20 0.30 5.49 -4.23 -1.26 -5.06 115.64 115.33 3bvl s THR 71 Ca 0.25 -0.64 -0.29 0.00 -1.18 0.00 0.00 61.69 59.83 3bvl s THR 71 Cb -0.16 -2.55 -0.10 0.00 1.34 0.00 0.00 72.50 71.03 3bvl s THR 71 CO 0.09 0.00 1.26 -0.44 -0.54 0.00 0.00 174.62 174.99 3bvl s SER 72 N -4.69 6.90 -0.10 3.99 0.01 -1.26 -5.00 113.70 113.54 3bvl s SER 72 Ca 0.65 2.55 -0.19 0.00 1.31 0.00 0.00 55.95 60.26 3bvl s SER 72 Cb -0.06 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.49 3bvl s SER 72 CO 0.43 -0.45 0.52 -0.63 0.41 0.00 0.00 173.24 173.52 3bvl s ILE 73 N -0.90 5.15 0.46 1.44 -1.09 -1.26 -5.04 121.20 119.96 3bvl s ILE 73 Ca 0.49 1.05 -0.25 0.00 -2.23 0.00 0.00 60.65 59.72 3bvl s ILE 73 Cb -0.38 -3.86 -0.08 0.00 -1.58 0.00 0.00 42.46 36.57 3bvl s ILE 73 CO 0.48 0.32 1.43 -0.44 -1.23 0.00 0.00 174.94 175.50 3bvl s SER 74 N 0.59 5.79 0.06 3.58 0.01 -1.26 -4.95 113.70 117.52 3bvl s SER 74 Ca 0.28 2.93 -0.31 0.00 1.31 0.00 0.00 55.95 60.16 3bvl s SER 74 Cb -0.16 -2.65 -0.08 0.00 0.21 0.00 0.00 66.02 63.34 3bvl s SER 74 CO 0.12 -1.24 1.69 0.00 0.41 0.00 0.00 173.24 174.22 3bvl s ALA 75 N -1.21 3.68 0.67 1.44 0.00 -1.26 -4.95 121.76 120.14 3bvl s ALA 75 Ca 0.62 1.22 -0.11 0.00 0.00 0.00 0.00 51.96 53.69 3bvl s ALA 75 Cb -0.44 -3.71 -0.01 0.00 0.00 0.00 0.00 23.12 18.96 3bvl s ALA 75 CO 0.56 -1.16 1.05 -1.25 0.00 0.00 0.00 175.76 174.96 3bvl s PRO 76 N 2.86 3.12 0.22 0.00 0.04 -1.26 -5.00 135.00 134.98 3bvl s PRO 76 Ca 0.75 0.90 -0.32 0.00 0.04 0.00 0.00 61.00 62.38 3bvl s PRO 76 Cb -0.40 -2.01 -0.14 0.00 0.04 0.00 0.00 34.50 31.99 3bvl s PRO 76 CO 0.33 -0.96 1.33 -1.91 0.04 0.00 0.00 177.00 175.84 3bvl n GLU 77 N -3.02 1.79 -0.06 4.56 4.07 -1.26 -4.93 120.64 121.80 3bvl n GLU 77 Ca 0.07 0.64 -0.03 0.00 -0.06 0.00 0.00 57.16 57.78 3bvl n GLU 77 Cb 0.54 -2.25 -0.13 0.00 -0.06 0.00 0.00 31.44 29.54 3bvl n GLU 77 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 3bvl n HIS 78 N 1.77 0.00 -3.90 4.31 8.25 -1.26 -4.70 115.22 119.69 3bvl n HIS 78 Ca 0.12 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.23 3bvl n HIS 78 Cb 0.30 -0.65 -0.09 0.00 1.12 0.00 0.00 29.99 30.67 3bvl n HIS 78 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3bvl s LYS 79 N -2.63 3.95 0.11 -0.41 1.02 -1.26 -4.89 119.74 115.63 3bvl s LYS 79 Ca -0.07 -0.27 0.03 0.00 0.02 0.00 0.00 55.97 55.67 3bvl s LYS 79 Cb 0.07 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 34.06 3bvl s LYS 79 CO 0.66 0.36 -0.08 -0.06 -0.92 0.00 0.00 175.35 175.32 3bvl s PHE 80 N 0.14 0.98 -0.06 3.18 0.40 -1.26 -5.07 117.98 116.29 3bvl s PHE 80 Ca 0.07 -0.84 0.08 0.00 -0.60 0.00 0.00 56.93 55.64 3bvl s PHE 80 Cb -0.12 -0.54 -0.24 0.00 0.51 0.00 0.00 43.02 42.63 3bvl s PHE 80 CO -0.00 -0.08 0.60 0.39 0.70 0.00 0.00 175.22 176.83 3bvl n GLU 81 N 0.03 0.66 -3.48 0.44 1.02 -1.26 -5.06 120.64 112.99 3bvl n GLU 81 Ca -0.12 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 3bvl n GLU 81 Cb 0.60 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 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 1.65 -1.93 0.16 0.62 0.00 -1.26 -4.99 105.19 99.44 3bvl n GLY 82 Ca -0.20 -1.15 -0.05 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.06 -0.15 0.99 6.46 -1.99 -1.23 115.31 119.33 3bvl h LEU 83 Ca 0.00 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 3bvl h LEU 83 Cb 0.00 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 3bvl h LEU 83 CO 0.00 0.01 0.07 0.74 -0.62 0.00 0.00 178.44 178.64 3bvl h THR 84 N 0.16 1.12 -0.82 1.05 2.02 -1.97 -2.16 112.91 112.31 3bvl h THR 84 Ca 0.19 -0.33 0.04 0.00 0.77 0.00 0.00 66.41 67.08 3bvl h THR 84 Cb 0.24 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.67 3bvl h THR 84 CO -0.27 0.11 0.51 -0.61 0.37 0.00 0.00 175.52 175.63 3bvl h GLN 85 N 0.12 0.94 -0.25 6.66 -0.00 -1.89 0.41 115.11 121.10 3bvl h GLN 85 Ca 0.05 -0.06 0.01 0.00 -0.00 0.00 0.00 58.65 58.66 3bvl h GLN 85 Cb 0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 27.48 27.35 3bvl h GLN 85 CO -0.01 0.62 0.12 0.82 0.00 0.00 0.00 178.83 180.39 3bvl h ILE 86 N 0.97 1.00 0.00 2.39 2.04 -1.00 -0.42 117.51 122.49 3bvl h ILE 86 Ca 0.34 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 66.02 3bvl h ILE 86 Cb 0.08 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3bvl h ILE 86 CO -0.14 0.05 -0.40 -0.26 0.00 0.00 0.00 178.15 177.40 3bvl h PHE 87 N 0.26 0.00 -0.17 1.37 0.04 -0.84 0.13 116.94 117.74 3bvl h PHE 87 Ca 0.10 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.83 3bvl h PHE 87 Cb 0.02 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 3bvl h PHE 87 CO -0.09 0.40 -0.04 1.96 -0.60 0.00 0.00 178.31 179.94 3bvl h GLN 88 N 0.00 0.32 -0.52 1.51 4.20 -0.72 -0.43 115.11 119.47 3bvl h GLN 88 Ca -0.00 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 3bvl h GLN 88 Cb 1.07 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 3bvl h GLN 88 CO 0.05 0.59 0.29 0.87 -0.67 0.00 0.00 178.83 179.97 3bvl h LYS 89 N 0.03 0.73 -0.48 1.46 1.79 -0.85 -2.19 116.57 117.06 3bvl h LYS 89 Ca 0.04 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 3bvl h LYS 89 Cb 0.48 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 3bvl h LYS 89 CO 0.02 0.56 0.25 0.00 -1.08 0.00 0.00 179.45 179.20 3bvl h ALA 90 N 1.13 0.62 -0.47 3.86 0.00 -0.70 -0.22 119.26 123.47 3bvl h ALA 90 Ca 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3bvl h ALA 90 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3bvl h ALA 90 CO -0.03 0.17 0.25 -0.92 0.00 0.00 0.00 179.25 178.72 3bvl h TYR 91 N 0.64 0.66 -0.86 0.00 3.20 -0.96 0.02 116.97 119.68 3bvl h TYR 91 Ca 0.17 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.03 3bvl h TYR 91 Cb 0.09 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 3bvl h TYR 91 CO -0.01 0.50 0.57 0.93 -1.64 0.00 0.00 178.16 178.51 3bvl h GLU 92 N 0.63 1.13 -0.60 1.82 5.08 -1.22 -1.14 114.58 120.28 3bvl h GLU 92 Ca 0.17 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3bvl h GLU 92 Cb 0.07 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 3bvl h GLU 92 CO -0.03 0.75 0.38 1.25 -1.00 0.00 0.00 179.01 180.36 3bvl h HIS 93 N 1.16 0.77 -0.40 4.33 2.76 -0.53 -2.03 115.15 121.21 3bvl h HIS 93 Ca 0.32 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.40 3bvl h HIS 93 Cb -0.13 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 28.56 3bvl h HIS 93 CO -0.01 0.50 -0.13 0.93 -1.30 0.00 0.00 177.93 177.92 3bvl h GLU 94 N 0.81 0.72 -0.66 5.26 4.39 -0.59 -0.58 114.58 123.93 3bvl h GLU 94 Ca 0.22 -0.24 0.03 0.00 0.34 0.00 0.00 59.36 59.71 3bvl h GLU 94 Cb -0.06 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.49 3bvl h GLU 94 CO -0.04 0.82 0.40 1.96 -1.16 0.00 0.00 179.01 180.99 3bvl h GLN 95 N 0.65 0.75 -0.35 2.33 4.20 -0.93 -0.24 115.11 121.53 3bvl h GLN 95 Ca 0.11 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3bvl h GLN 95 Cb 0.60 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 3bvl h GLN 95 CO 0.04 0.50 0.14 0.45 -0.67 0.00 0.00 178.83 179.29 3bvl h HIS 96 N 0.78 0.54 -0.54 2.96 3.86 -0.75 -1.74 115.15 120.26 3bvl h HIS 96 Ca 0.27 -0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.46 3bvl h HIS 96 Cb 0.05 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.32 3bvl h HIS 96 CO -0.05 0.49 0.32 0.82 0.86 0.00 0.00 177.93 180.37 3bvl h ILE 97 N 0.42 1.06 -0.69 2.45 1.08 -0.83 -1.28 117.51 119.73 3bvl h ILE 97 Ca 0.12 -0.22 0.06 0.00 -0.39 0.00 0.00 64.86 64.43 3bvl h ILE 97 Cb 0.18 0.36 -0.06 0.00 -3.07 0.00 0.00 36.82 34.24 3bvl h ILE 97 CO -0.01 0.12 0.38 0.28 -0.69 0.00 0.00 178.15 178.23 3bvl h SER 98 N 0.64 0.56 -0.52 1.72 0.02 -0.85 -1.86 113.55 113.27 3bvl h SER 98 Ca 0.22 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3bvl h SER 98 Cb 0.02 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 3bvl h SER 98 CO -0.10 0.36 0.34 -0.08 -1.14 0.00 0.00 176.83 176.21 3bvl h GLU 99 N 0.70 0.68 -0.78 3.45 4.81 -0.77 -1.52 114.58 121.15 3bvl h GLU 99 Ca 0.31 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3bvl h GLU 99 Cb 0.21 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 3bvl h GLU 99 CO -0.19 0.46 0.50 0.66 -0.73 0.00 0.00 179.01 179.71 3bvl h SER 100 N 0.70 0.91 -0.10 1.04 4.64 -0.64 -1.61 113.55 118.49 3bvl h SER 100 Ca 0.19 -0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.41 3bvl h SER 100 Cb -0.07 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 61.79 3bvl h SER 100 CO -0.04 0.68 -0.18 0.40 -0.87 0.00 0.00 176.83 176.82 3bvl h ILE 101 N 1.07 1.39 -0.81 0.95 2.04 -1.10 -2.87 117.51 118.17 3bvl h ILE 101 Ca 0.28 -1.44 0.15 0.00 1.00 0.00 0.00 64.86 64.85 3bvl h ILE 101 Cb -0.09 2.09 -0.10 0.00 -0.74 0.00 0.00 36.82 37.98 3bvl h ILE 101 CO -0.06 0.41 0.37 0.78 0.00 0.00 0.00 178.15 179.66 3bvl h ASN 102 N -0.14 0.39 -0.32 1.72 2.35 -1.06 -1.07 115.58 117.44 3bvl h ASN 102 Ca 0.01 0.11 0.04 0.00 -0.55 0.00 0.00 56.30 55.90 3bvl h ASN 102 Cb 0.75 0.06 -0.04 0.00 0.05 0.00 0.00 38.32 39.14 3bvl h ASN 102 CO 0.04 0.14 0.09 -1.13 -1.65 0.00 0.00 177.43 174.92 3bvl h ASN 103 N 0.51 0.08 -0.26 5.81 -0.73 -1.27 0.01 115.58 119.73 3bvl h ASN 103 Ca 0.46 0.04 -0.04 0.00 1.87 0.00 0.00 56.30 58.62 3bvl h ASN 103 Cb 0.70 0.04 -0.01 0.00 0.27 0.00 0.00 38.32 39.32 3bvl h ASN 103 CO -0.40 0.08 -0.01 0.40 -0.37 0.00 0.00 177.43 177.13 3bvl h ILE 104 N 0.22 1.26 -0.92 2.57 2.04 -1.16 -1.78 117.51 119.74 3bvl h ILE 104 Ca 0.15 -0.94 0.02 0.00 1.00 0.00 0.00 64.86 65.09 3bvl h ILE 104 Cb 0.14 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 3bvl h ILE 104 CO -0.17 0.30 0.61 0.58 0.00 0.00 0.00 178.15 179.47 3bvl h VAL 105 N 0.25 1.20 -0.22 1.67 2.07 -1.11 -0.37 116.25 119.74 3bvl h VAL 105 Ca 0.07 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3bvl h VAL 105 Cb 0.44 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3bvl h VAL 105 CO 0.02 0.22 0.13 -0.78 0.02 0.00 0.00 177.57 177.17 3bvl h ASP 106 N 1.20 0.27 -0.48 0.57 3.58 -0.87 -2.44 116.42 118.25 3bvl h ASP 106 Ca 0.35 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.70 3bvl h ASP 106 Cb -0.07 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 3bvl h ASP 106 CO -0.09 0.26 0.22 0.45 -2.88 0.00 0.00 179.24 177.20 3bvl h HIS 107 N 0.26 0.75 -0.13 0.28 3.86 -0.44 -1.43 115.15 118.29 3bvl h HIS 107 Ca 0.08 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3bvl h HIS 107 Cb 0.05 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 3bvl h HIS 107 CO -0.04 0.58 0.08 0.00 0.86 0.00 0.00 177.93 179.41 3bvl h ALA 108 N 1.49 0.17 -0.01 2.45 0.00 -0.89 -1.69 119.26 120.78 3bvl h ALA 108 Ca 0.18 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3bvl h ALA 108 Cb 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3bvl h ALA 108 CO -0.02 -0.33 -0.07 0.82 0.00 0.00 0.00 179.25 179.65 3bvl h ILE 109 N 0.16 0.82 -0.08 0.00 2.04 -1.09 0.15 117.51 119.51 3bvl h ILE 109 Ca 0.05 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.91 3bvl h ILE 109 Cb 0.00 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3bvl h ILE 109 CO -0.01 0.00 0.05 0.11 0.00 0.00 0.00 178.15 178.30 3bvl h LYS 110 N -0.11 0.08 -0.57 2.37 1.57 -1.11 -1.67 116.57 117.13 3bvl h LYS 110 Ca 0.03 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3bvl h LYS 110 Cb 0.15 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3bvl h LYS 110 CO -0.08 0.05 0.00 -1.13 -0.57 0.00 0.00 179.45 177.72 3bvl n SER 111 N -4.52 3.73 -2.45 0.86 3.41 -0.65 -4.96 113.62 109.04 3bvl n SER 111 Ca -0.02 -2.11 -0.21 0.00 -0.26 0.00 0.00 58.87 56.28 3bvl n SER 111 Cb 0.11 -0.42 -0.01 0.00 -0.26 0.00 0.00 64.21 63.63 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 1.10 -1.93 -3.06 4.33 5.02 -0.63 -4.93 118.16 118.07 3bvl n LYS 112 Ca 0.20 0.99 -0.45 0.00 -2.02 0.00 0.00 58.31 57.03 3bvl n LYS 112 Cb 0.61 -5.66 -0.01 0.00 -0.02 0.00 0.00 35.03 29.94 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 -2.09 6.87 0.13 4.39 -1.08 0.46 -4.83 116.67 120.53 3bvl s ASP 113 Ca 0.02 -2.63 0.24 0.00 -0.52 0.00 0.00 52.55 49.66 3bvl s ASP 113 Cb -0.01 -2.34 0.26 0.00 -1.46 0.00 0.00 42.92 39.37 3bvl s ASP 113 CO 0.03 -0.79 1.25 0.45 0.52 0.00 0.00 175.17 176.63 3bvl h HIS 114 N 7.89 0.00 -0.52 -5.34 3.86 -1.92 -2.14 115.15 116.98 3bvl h HIS 114 Ca 0.20 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.42 3bvl h HIS 114 Cb 0.96 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.41 3bvl h HIS 114 CO 1.07 0.00 0.33 0.00 0.86 0.00 0.00 177.93 180.20 3bvl h ALA 115 N 2.41 0.66 -0.17 2.45 0.00 -1.97 0.23 119.26 122.87 3bvl h ALA 115 Ca 0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 3bvl h ALA 115 Cb 0.79 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.40 3bvl h ALA 115 CO 0.00 0.07 -0.74 1.15 0.00 0.00 0.00 179.25 179.74 3bvl h THR 116 N 0.68 1.28 0.07 0.00 2.02 -1.94 -0.91 112.91 114.12 3bvl h THR 116 Ca 0.19 -1.94 0.02 0.00 0.77 0.00 0.00 66.41 65.45 3bvl h THR 116 Cb -0.05 1.93 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 3bvl h THR 116 CO -0.06 0.62 -0.22 0.15 0.37 0.00 0.00 175.52 176.38 3bvl h PHE 117 N 0.54 -0.59 -0.51 3.16 3.57 -1.28 -1.99 116.94 119.84 3bvl h PHE 117 Ca -0.04 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.48 3bvl h PHE 117 Cb 1.36 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 40.33 3bvl h PHE 117 CO 0.08 -0.32 0.34 -0.97 -2.23 0.00 0.00 178.31 175.21 3bvl h ASN 118 N -0.39 0.58 -0.80 0.41 -0.73 -0.92 -2.92 115.58 110.82 3bvl h ASN 118 Ca 0.04 -0.01 0.07 0.00 1.87 0.00 0.00 56.30 58.26 3bvl h ASN 118 Cb 0.44 -0.15 -0.06 0.00 0.27 0.00 0.00 38.32 38.82 3bvl h ASN 118 CO -0.15 0.42 0.47 0.15 -0.37 0.00 0.00 177.43 177.95 3bvl h PHE 119 N 0.69 0.87 0.00 0.67 3.04 -0.95 -2.80 116.94 118.46 3bvl h PHE 119 Ca 0.19 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.16 3bvl h PHE 119 Cb -0.08 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.16 3bvl h PHE 119 CO -0.04 0.42 0.00 1.28 -2.02 0.00 0.00 178.31 177.95 3bvl n LEU 120 N -4.69 0.00 -0.11 0.59 4.77 -0.77 -3.91 117.00 112.88 3bvl n LEU 120 Ca 0.11 0.15 -0.09 0.00 -0.03 0.00 0.00 56.01 56.16 3bvl n LEU 120 Cb 0.20 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.19 3bvl n LEU 120 CO 0.30 -0.04 0.68 1.56 -1.33 0.00 0.00 177.39 178.55 3bvl h GLN 121 N 0.00 0.84 -0.80 3.23 1.08 -1.55 0.37 115.11 118.28 3bvl h GLN 121 Ca 0.00 -0.35 0.08 0.00 -1.45 0.00 0.00 58.65 56.92 3bvl h GLN 121 Cb 0.11 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.46 3bvl h GLN 121 CO 0.00 0.99 0.52 0.11 -0.95 0.00 0.00 178.83 179.50 3bvl h TRP 122 N 0.73 0.85 -0.03 2.96 5.08 -1.81 -1.62 115.95 122.10 3bvl h TRP 122 Ca 0.10 0.02 -0.24 0.00 1.08 0.00 0.00 58.89 59.85 3bvl h TRP 122 Cb 0.77 -0.28 0.02 0.00 -3.00 0.00 0.00 29.16 26.67 3bvl h TRP 122 CO 0.04 0.43 -0.91 -0.92 -1.28 0.00 0.00 178.44 175.80 3bvl h TYR 123 N 0.82 0.99 -0.06 0.12 3.20 -1.53 -0.48 116.97 120.03 3bvl h TYR 123 Ca 0.35 -0.51 0.01 0.00 3.14 0.00 0.00 58.73 61.72 3bvl h TYR 123 Cb 0.31 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3bvl h TYR 123 CO -0.00 1.34 0.01 0.28 -1.64 0.00 0.00 178.16 178.16 3bvl h VAL 124 N 0.35 0.98 -0.31 1.81 2.07 -0.82 -1.05 116.25 119.27 3bvl h VAL 124 Ca -0.10 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3bvl h VAL 124 Cb 1.57 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 3bvl h VAL 124 CO 0.18 0.01 0.16 0.00 0.02 0.00 0.00 177.57 177.94 3bvl h ALA 125 N 1.04 0.40 -0.44 1.67 0.00 -1.20 -1.93 119.26 118.79 3bvl h ALA 125 Ca 0.03 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3bvl h ALA 125 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3bvl h ALA 125 CO -0.03 -0.05 -0.25 0.93 0.00 0.00 0.00 179.25 179.85 3bvl h GLU 126 N 0.37 0.94 -0.54 0.00 5.08 -1.05 -2.19 114.58 117.18 3bvl h GLU 126 Ca 0.11 -0.41 -0.11 0.00 -1.00 0.00 0.00 59.36 57.94 3bvl h GLU 126 Cb 0.10 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3bvl h GLU 126 CO -0.01 1.07 -0.11 0.37 -1.00 0.00 0.00 179.01 179.33 3bvl h GLN 127 N 0.80 1.03 -0.37 2.33 5.75 -1.14 -1.57 115.11 121.94 3bvl h GLN 127 Ca 0.10 -0.38 0.02 0.00 -0.15 0.00 0.00 58.65 58.24 3bvl h GLN 127 Cb 0.82 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.28 3bvl h GLN 127 CO 0.07 1.07 0.21 1.25 -2.65 0.00 0.00 178.83 178.78 3bvl h HIS 128 N 0.91 0.39 -0.72 3.99 2.76 -1.23 0.89 115.15 122.14 3bvl h HIS 128 Ca 0.14 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.39 3bvl h HIS 128 Cb 0.68 -0.12 -0.06 0.00 1.55 0.00 0.00 27.41 29.45 3bvl h HIS 128 CO 0.05 0.23 0.40 1.49 -1.30 0.00 0.00 177.93 178.80 3bvl h GLU 129 N 0.43 0.71 -0.47 5.26 4.22 -1.21 -1.14 114.58 122.37 3bvl h GLU 129 Ca 0.15 -0.04 -0.08 0.00 0.08 0.00 0.00 59.36 59.47 3bvl h GLU 129 Cb 0.02 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3bvl h GLU 129 CO -0.08 0.47 -0.00 0.93 -2.18 0.00 0.00 179.01 178.15 3bvl h GLU 130 N 0.73 0.84 -0.53 1.92 5.08 -0.73 -0.86 114.58 121.03 3bvl h GLU 130 Ca 0.33 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3bvl h GLU 130 Cb 0.23 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3bvl h GLU 130 CO -0.20 0.89 0.25 1.49 -1.00 0.00 0.00 179.01 180.44 3bvl h GLU 131 N 0.69 0.77 -0.75 2.33 4.81 -0.53 -1.11 114.58 120.80 3bvl h GLU 131 Ca 0.13 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3bvl h GLU 131 Cb 0.51 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 3bvl h GLU 131 CO 0.02 0.64 0.38 0.28 -0.73 0.00 0.00 179.01 179.60 3bvl h VAL 132 N 0.71 1.24 -0.42 0.32 2.07 -1.16 -1.50 116.25 117.51 3bvl h VAL 132 Ca 0.18 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.07 3bvl h VAL 132 Cb 0.13 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3bvl h VAL 132 CO -0.02 0.28 0.26 0.25 0.02 0.00 0.00 177.57 178.35 3bvl h LEU 133 N 1.05 0.43 -0.80 2.57 5.85 -0.77 0.40 115.31 124.05 3bvl h LEU 133 Ca 0.26 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.86 3bvl h LEU 133 Cb 0.09 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3bvl h LEU 133 CO -0.04 0.31 -0.34 -0.26 -0.34 0.00 0.00 178.44 177.78 3bvl h PHE 134 N 0.53 0.59 -0.21 1.25 -1.00 -1.05 -0.75 116.94 116.31 3bvl h PHE 134 Ca 0.16 -0.15 0.01 0.00 2.81 0.00 0.00 57.97 60.80 3bvl h PHE 134 Cb -0.02 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.39 3bvl h PHE 134 CO -0.06 0.79 0.11 -0.22 -1.61 0.00 0.00 178.31 177.32 3bvl h LYS 135 N 0.43 0.23 -0.67 1.51 3.11 -0.97 -1.36 116.57 118.86 3bvl h LYS 135 Ca 0.05 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.84 3bvl h LYS 135 Cb 0.80 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.95 3bvl h LYS 135 CO 0.06 0.15 0.27 -0.44 -2.81 0.00 0.00 179.45 176.68 3bvl h ASP 136 N 0.24 0.92 -0.33 4.20 3.32 -0.58 -0.63 116.42 123.56 3bvl h ASP 136 Ca 0.08 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 3bvl h ASP 136 Cb 0.00 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3bvl h ASP 136 CO -0.05 0.84 0.00 0.40 -1.72 0.00 0.00 179.24 178.72 3bvl h ILE 137 N 0.94 1.26 -0.15 0.35 2.04 -1.06 -1.60 117.51 119.28 3bvl h ILE 137 Ca 0.22 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 3bvl h ILE 137 Cb 0.21 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3bvl h ILE 137 CO -0.02 0.31 0.09 0.25 0.00 0.00 0.00 178.15 178.78 3bvl h LEU 138 N 0.38 0.19 -0.66 1.44 5.85 -1.13 0.34 115.31 121.72 3bvl h LEU 138 Ca 0.09 -0.05 0.14 0.00 0.84 0.00 0.00 57.88 58.90 3bvl h LEU 138 Cb 0.44 -0.05 -0.12 0.00 0.37 0.00 0.00 40.66 41.31 3bvl h LEU 138 CO 0.02 0.18 -0.04 0.44 -0.34 0.00 0.00 178.44 178.70 3bvl h ASP 139 N 0.17 -0.38 -0.23 1.25 3.45 -1.05 -0.53 116.42 119.11 3bvl h ASP 139 Ca 0.06 0.17 -0.06 0.00 0.43 0.00 0.00 57.03 57.62 3bvl h ASP 139 Cb 0.03 0.32 -0.01 0.00 -0.56 0.00 0.00 39.33 39.11 3bvl h ASP 139 CO -0.01 -0.16 -0.11 0.50 -1.57 0.00 0.00 179.24 177.90 3bvl h LYS 140 N 0.08 0.48 -0.70 3.56 1.63 -0.80 -0.52 116.57 120.30 3bvl h LYS 140 Ca 0.34 -0.21 0.09 0.00 -0.85 0.00 0.00 60.65 60.02 3bvl h LYS 140 Cb 0.56 -0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 32.11 3bvl h LYS 140 CO -0.60 0.75 0.35 0.82 -3.45 0.00 0.00 179.45 177.33 3bvl h ILE 141 N 0.20 0.86 0.00 2.00 2.04 -0.58 -0.31 117.51 121.71 3bvl h ILE 141 Ca 0.05 -0.21 -0.12 0.00 1.00 0.00 0.00 64.86 65.58 3bvl h ILE 141 Cb 0.60 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3bvl h ILE 141 CO 0.03 0.11 -0.58 -0.33 0.00 0.00 0.00 178.15 177.38 3bvl h GLU 142 N 0.61 0.00 -0.21 2.37 5.08 -0.94 -1.41 114.58 120.09 3bvl h GLU 142 Ca 0.34 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.62 3bvl h GLU 142 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 3bvl h GLU 142 CO -0.26 0.58 -0.19 1.25 -1.00 0.00 0.00 179.01 179.40 3bvl h LEU 143 N 0.00 0.52 -0.02 1.33 5.85 -0.38 -3.29 115.31 119.32 3bvl h LEU 143 Ca -0.01 -0.47 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 3bvl h LEU 143 Cb 1.11 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 3bvl h LEU 143 CO 0.08 0.88 0.00 0.40 -0.34 0.00 0.00 178.44 179.46 3bvl h ILE 144 N 0.17 1.23 0.00 4.05 2.04 -1.02 -3.50 117.51 120.48 3bvl h ILE 144 Ca 0.04 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.20 3bvl h ILE 144 Cb 0.73 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 3bvl h ILE 144 CO 0.05 0.18 0.00 0.61 0.00 0.00 0.00 178.15 178.99 3bvl n GLY 145 N -0.32 -2.18 0.49 5.37 0.00 -0.54 -4.70 105.19 103.32 3bvl n GLY 145 Ca -0.08 -1.49 0.05 0.00 0.00 0.00 0.00 46.02 44.50 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 0.32 2.44 -4.73 1.61 3.02 -1.26 -4.07 115.26 112.59 3bvl n ASN 146 Ca 0.00 -1.78 -0.31 0.00 -0.03 0.00 0.00 54.58 52.46 3bvl n ASN 146 Cb 0.00 -0.13 0.12 0.00 -0.61 0.00 0.00 39.78 39.16 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 -0.93 1.76 0.00 3.52 8.01 -1.26 -4.55 118.70 125.25 3bvl s GLU 147 Ca 0.17 1.30 0.00 0.00 0.01 0.00 0.00 54.97 56.45 3bvl s GLU 147 Cb 0.10 -1.83 0.00 0.00 -4.31 0.00 0.00 34.13 28.08 3bvl s GLU 147 CO 0.13 -2.03 0.00 0.27 0.01 0.00 0.00 175.26 173.64 3bvl n ASN 148 N -3.80 0.00 0.00 -0.19 6.94 -1.26 0.52 115.26 117.47 3bvl n ASN 148 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.66 3bvl n ASN 148 Cb 0.53 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.95 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 -0.09 -2.53 8.25 -1.26 -4.89 115.22 114.70 3bvl n HIS 149 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 3bvl n HIS 149 Cb 0.00 -0.85 0.01 0.00 1.12 0.00 0.00 29.99 30.27 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 0.37 0.92 -1.41 0.00 -0.15 -0.11 103.07 102.70 3bvl h GLY 150 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.33 3bvl h GLY 150 CO 0.00 -0.03 0.30 1.41 0.00 0.00 0.00 176.54 178.22 3bvl h LEU 151 N 0.17 0.49 -0.23 3.11 3.38 -1.79 -0.71 115.31 119.73 3bvl h LEU 151 Ca 0.16 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.14 3bvl h LEU 151 Cb 0.18 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3bvl h LEU 151 CO -0.21 0.35 0.10 0.22 0.09 0.00 0.00 178.44 178.99 3bvl h TYR 152 N 0.60 0.19 -0.59 1.13 3.20 -1.85 -0.49 116.97 119.15 3bvl h TYR 152 Ca 0.19 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.08 3bvl h TYR 152 Cb -0.01 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 3bvl h TYR 152 CO -0.06 0.10 0.38 -0.07 -1.64 0.00 0.00 178.16 176.87 3bvl h LEU 153 N 0.22 0.64 -0.43 2.82 3.38 -0.71 -0.82 115.31 120.41 3bvl h LEU 153 Ca 0.10 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3bvl h LEU 153 Cb 0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3bvl h LEU 153 CO -0.08 0.45 0.14 0.00 0.09 0.00 0.00 178.44 179.05 3bvl h ALA 154 N 1.23 0.57 -0.69 1.53 0.00 -0.96 -1.25 119.26 119.70 3bvl h ALA 154 Ca 0.22 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3bvl h ALA 154 Cb -0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3bvl h ALA 154 CO -0.07 0.21 0.19 0.22 0.00 0.00 0.00 179.25 179.80 3bvl h ASP 155 N 0.56 1.02 -0.29 0.00 3.58 -0.78 -1.03 116.42 119.47 3bvl h ASP 155 Ca 0.14 -0.20 -0.10 0.00 0.42 0.00 0.00 57.03 57.29 3bvl h ASP 155 Cb 0.26 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 3bvl h ASP 155 CO -0.01 0.97 -0.15 1.56 -2.88 0.00 0.00 179.24 178.73 3bvl h GLN 156 N 1.03 0.74 -0.18 0.28 1.08 -0.99 0.07 115.11 117.14 3bvl h GLN 156 Ca 0.22 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3bvl h GLN 156 Cb 0.33 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 3bvl h GLN 156 CO -0.00 0.85 0.11 -0.92 -0.95 0.00 0.00 178.83 177.92 3bvl h TYR 157 N 0.66 0.24 -0.58 2.96 3.20 -0.80 -1.57 116.97 121.08 3bvl h TYR 157 Ca 0.11 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 3bvl h TYR 157 Cb 0.62 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 3bvl h TYR 157 CO 0.03 0.18 0.10 0.28 -1.64 0.00 0.00 178.16 177.11 3bvl h VAL 158 N 0.23 1.24 -0.62 1.81 2.07 -0.96 -2.55 116.25 117.48 3bvl h VAL 158 Ca 0.07 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.68 3bvl h VAL 158 Cb 0.00 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 3bvl h VAL 158 CO -0.01 0.35 0.38 0.50 0.02 0.00 0.00 177.57 178.80 3bvl h LYS 159 N 0.88 0.72 -0.67 1.57 3.64 -0.76 -0.56 116.57 121.40 3bvl h LYS 159 Ca 0.18 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.58 3bvl h LYS 159 Cb 0.38 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 31.97 3bvl h LYS 159 CO 0.01 0.48 0.37 0.78 -2.27 0.00 0.00 179.45 178.81 3bvl h GLY 160 N 0.75 0.99 0.92 5.01 0.00 -0.91 -1.15 103.07 108.67 3bvl h GLY 160 Ca 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 3bvl h GLY 160 CO -0.11 0.14 0.10 -2.22 0.00 0.00 0.00 176.54 174.45 3bvl h ILE 161 N 0.67 1.13 -0.62 2.60 2.04 -1.04 -1.77 117.51 120.52 3bvl h ILE 161 Ca 0.31 -0.38 0.05 0.00 1.00 0.00 0.00 64.86 65.84 3bvl h ILE 161 Cb 0.22 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 3bvl h ILE 161 CO -0.20 0.13 0.34 0.00 0.00 0.00 0.00 178.15 178.42 3bvl h ALA 162 N 0.97 0.82 -0.23 1.87 0.00 -0.72 -2.31 119.26 119.66 3bvl h ALA 162 Ca 0.07 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 3bvl h ALA 162 Cb 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3bvl h ALA 162 CO -0.01 0.01 -0.42 0.87 0.00 0.00 0.00 179.25 179.70 3bvl h LYS 163 N 0.63 0.56 0.00 0.00 1.57 -1.14 -3.06 116.57 115.14 3bvl h LYS 163 Ca 0.28 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3bvl h LYS 163 Cb 0.17 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3bvl h LYS 163 CO -0.17 0.88 0.00 0.66 -0.57 0.00 0.00 179.45 180.25 3bvl h SER 164 N 0.46 0.00 0.56 0.86 4.64 -0.94 -3.13 113.55 115.99 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 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3bvl h SER 164 CO 0.08 0.00 -0.70 0.54 -0.87 0.00 0.00 176.83 175.88 3bvl n ARG 165 N -2.93 0.16 0.00 4.77 1.74 -0.90 -5.09 116.66 114.40 3bvl n ARG 165 Ca 0.02 0.02 0.08 0.00 -0.77 0.00 0.00 57.85 57.21 3bvl n ARG 165 Cb 0.35 -1.58 0.50 0.00 -1.02 0.00 0.00 32.46 30.71 3bvl n ARG 165 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74