#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bvm n LEU 2 N 0.00 2.65 -0.05 0.00 7.94 -1.26 -4.39 117.00 121.89 1bvm n LEU 2 Ca 0.00 -1.16 -0.11 0.00 -1.11 0.00 0.00 56.01 53.63 1bvm n LEU 2 Cb 0.00 -0.06 -0.14 0.00 0.53 0.00 0.00 43.42 43.75 1bvm n LEU 2 CO 0.00 0.51 -0.78 -2.67 -1.11 0.00 0.00 177.39 173.34 1bvm n TRP 3 N 1.03 0.69 0.09 1.96 4.27 -1.26 -4.06 117.44 120.17 1bvm n TRP 3 Ca 0.12 0.23 0.14 0.00 -3.89 0.00 0.00 57.50 54.10 1bvm n TRP 3 Cb 0.46 -1.12 0.64 0.00 -1.36 0.00 0.00 31.31 29.93 1bvm n TRP 3 CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 1bvm h GLN 4 N 0.01 0.06 -0.38 -2.67 4.20 -1.99 -1.46 115.11 112.88 1bvm h GLN 4 Ca -0.39 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.28 1bvm h GLN 4 Cb 2.08 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.83 1bvm h GLN 4 CO 0.06 0.04 0.10 0.35 -0.67 0.00 0.00 178.83 178.71 1bvm h PHE 5 N 0.06 0.64 -0.84 2.96 3.57 -1.83 -2.75 116.94 118.75 1bvm h PHE 5 Ca 0.16 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1bvm h PHE 5 Cb 0.54 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 1bvm h PHE 5 CO -0.00 0.62 0.44 -0.91 -2.23 0.00 0.00 178.31 176.23 1bvm h ASN 6 N 0.47 1.07 -0.74 0.41 2.35 -1.46 -2.45 115.58 115.23 1bvm h ASN 6 Ca 0.12 -0.11 0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1bvm h ASN 6 Cb 0.30 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.35 1bvm h ASN 6 CO 0.00 0.88 0.46 1.23 -1.65 0.00 0.00 177.43 178.34 1bvm h GLY 7 N 1.20 1.07 1.36 2.83 0.00 -1.25 -1.14 103.07 107.15 1bvm h GLY 7 Ca 0.29 -0.34 0.01 0.00 0.00 0.00 0.00 47.33 47.30 1bvm h GLY 7 CO -0.04 0.27 0.41 -0.33 0.00 0.00 0.00 176.54 176.84 1bvm h MET 8 N 0.87 0.77 0.00 4.80 2.86 -1.16 -0.37 114.93 122.70 1bvm h MET 8 Ca 0.30 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.85 1bvm h MET 8 Cb 0.06 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1bvm h MET 8 CO -0.13 0.51 -0.21 0.82 1.06 0.00 0.00 176.91 178.96 1bvm h ILE 9 N 0.80 0.48 0.12 -1.22 2.04 -1.05 -3.09 117.51 115.59 1bvm h ILE 9 Ca 0.23 -1.15 -0.28 0.00 1.00 0.00 0.00 64.86 64.66 1bvm h ILE 9 Cb -0.04 1.81 0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1bvm h ILE 9 CO -0.06 0.21 -1.22 0.11 0.00 0.00 0.00 178.15 177.19 1bvm h LYS 10 N 0.00 0.46 0.07 2.37 1.57 -0.33 -1.22 116.57 119.49 1bvm h LYS 10 Ca -0.00 -0.65 -0.00 0.00 -1.87 0.00 0.00 60.65 58.12 1bvm h LYS 10 Cb 0.80 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1bvm h LYS 10 CO 0.03 1.28 -0.04 0.00 -0.57 0.00 0.00 179.45 180.15 1bvm h LYS 12 N -0.14 0.88 -3.05 0.00 1.57 -1.64 -3.37 116.57 110.81 1bvm h LYS 12 Ca -0.01 -0.47 -0.62 0.00 -1.87 0.00 0.00 60.65 57.68 1bvm h LYS 12 Cb 0.12 0.02 -0.41 0.00 0.08 0.00 0.00 32.23 32.04 1bvm h LYS 12 CO 0.02 1.12 -0.65 0.42 -0.57 0.00 0.00 179.45 179.78 1bvm s ILE 13 N -4.34 2.37 0.16 1.86 1.01 -0.46 -4.90 121.20 116.89 1bvm s ILE 13 Ca -0.10 -3.71 0.18 0.00 0.00 0.00 0.00 60.65 57.01 1bvm s ILE 13 Cb 0.11 -2.59 0.11 0.00 0.01 0.00 0.00 42.46 40.11 1bvm s ILE 13 CO 0.87 -0.98 1.70 1.55 0.00 0.00 0.00 174.94 178.09 1bvm h PRO 14 N 5.79 0.00 0.04 2.79 0.13 -1.33 -3.30 132.00 136.12 1bvm h PRO 14 Ca 0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1bvm h PRO 14 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1bvm h PRO 14 CO 0.65 0.41 -0.02 0.66 -0.23 0.00 0.00 178.00 179.46 1bvm h SER 15 N 0.00 -0.05 -3.25 1.44 4.64 -1.91 -3.43 113.55 110.99 1bvm h SER 15 Ca -0.00 -0.44 -0.59 0.00 -0.47 0.00 0.00 61.79 60.28 1bvm h SER 15 Cb 0.95 0.01 -0.08 0.00 -0.31 0.00 0.00 62.40 62.97 1bvm h SER 15 CO 0.05 0.65 0.51 -0.44 -0.87 0.00 0.00 176.83 176.73 1bvm s SER 16 N -5.77 6.91 0.50 4.97 0.01 -1.24 -5.03 113.70 114.06 1bvm s SER 16 Ca -0.10 1.13 -0.19 0.00 1.31 0.00 0.00 55.95 58.11 1bvm s SER 16 Cb -0.01 -2.46 -0.08 0.00 0.21 0.00 0.00 66.02 63.68 1bvm s SER 16 CO 0.36 -0.51 1.01 -1.61 0.41 0.00 0.00 173.24 172.90 1bvm s GLU 17 N 2.72 3.82 0.32 12.44 2.02 -1.26 -4.80 118.70 133.96 1bvm s GLU 17 Ca 0.37 1.19 0.17 0.00 0.02 0.00 0.00 54.97 56.72 1bvm s GLU 17 Cb -0.16 -2.11 0.39 0.00 0.10 0.00 0.00 34.13 32.35 1bvm s GLU 17 CO 0.08 -0.40 1.59 -1.00 0.02 0.00 0.00 175.26 175.56 1bvm h PRO 18 N 1.26 0.00 -0.00 0.39 0.13 -1.88 -2.88 132.00 129.01 1bvm h PRO 18 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1bvm h PRO 18 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1bvm h PRO 18 CO 0.60 0.47 -0.40 1.28 -0.23 0.00 0.00 178.00 179.71 1bvm n LEU 19 N -3.40 0.84 -0.07 1.56 4.77 -1.26 -2.49 117.00 116.95 1bvm n LEU 19 Ca 0.01 -0.18 -0.15 0.00 -0.03 0.00 0.00 56.01 55.65 1bvm n LEU 19 Cb 0.63 -0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 1bvm n LEU 19 CO 0.39 0.17 -1.05 0.18 -1.33 0.00 0.00 177.39 175.75 1bvm n LEU 20 N -1.02 1.85 -2.68 2.23 4.77 -1.16 -4.72 117.00 116.27 1bvm n LEU 20 Ca 0.09 0.06 -0.08 0.00 -0.03 0.00 0.00 56.01 56.05 1bvm n LEU 20 Cb 0.35 -0.45 0.06 0.00 -2.33 0.00 0.00 43.42 41.05 1bvm n LEU 20 CO 0.31 0.73 0.12 -0.90 -1.33 0.00 0.00 177.39 176.31 1bvm n ASP 21 N -3.15 0.20 -1.55 -1.43 5.75 -1.10 -4.91 116.55 110.36 1bvm n ASP 21 Ca -0.35 -2.61 -0.04 0.00 -0.01 0.00 0.00 54.79 51.78 1bvm n ASP 21 Cb 1.05 0.05 0.01 0.00 -1.03 0.00 0.00 41.12 41.20 1bvm n ASP 21 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1bvm n PHE 22 N -0.28 -0.70 -4.36 2.11 3.72 -1.04 -4.94 117.46 111.97 1bvm n PHE 22 Ca 0.04 -0.86 -0.19 0.00 -0.05 0.00 0.00 57.45 56.40 1bvm n PHE 22 Cb 0.83 0.85 -0.14 0.00 -0.94 0.00 0.00 39.48 40.08 1bvm n PHE 22 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1bvm s ASN 23 N -0.93 1.32 -0.93 4.37 3.84 -1.24 -4.82 114.94 116.55 1bvm s ASN 23 Ca 0.03 -0.31 -0.09 0.00 0.21 0.00 0.00 52.86 52.69 1bvm s ASN 23 Cb 0.15 -0.11 0.01 0.00 -0.55 0.00 0.00 41.25 40.75 1bvm s ASN 23 CO -0.04 0.06 0.66 -3.20 -2.79 0.00 0.00 177.10 171.79 1bvm n ASN 24 N 2.37 -5.27 -4.24 -4.21 2.85 -1.08 -4.73 115.26 100.95 1bvm n ASN 24 Ca -0.16 -0.90 -0.15 0.00 -0.11 0.00 0.00 54.58 53.27 1bvm n ASN 24 Cb 0.56 -2.50 -0.10 0.00 1.24 0.00 0.00 39.78 38.97 1bvm n ASN 24 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1bvm s TYR 25 N -3.16 1.28 0.00 1.20 6.14 0.54 -2.11 117.35 121.25 1bvm s TYR 25 Ca 0.16 -0.70 0.00 0.00 0.64 0.00 0.00 57.07 57.17 1bvm s TYR 25 Cb -0.07 -0.66 0.00 0.00 0.42 0.00 0.00 41.96 41.65 1bvm s TYR 25 CO 0.88 0.10 0.00 0.41 0.64 0.00 0.00 175.55 177.58 1bvm n GLY 26 N -0.00 0.06 0.47 8.97 0.00 -1.25 -2.11 105.19 111.32 1bvm n GLY 26 Ca -0.12 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.55 1bvm n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bvm n TYR 28 N -0.06 0.00 -2.60 0.00 4.01 -1.25 -2.18 117.16 115.07 1bvm n TYR 28 Ca 0.10 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.41 1bvm n TYR 28 Cb 0.45 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 1bvm n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bvm n GLY 30 N 4.55 -1.60 0.15 0.00 0.00 -1.26 0.20 105.19 107.23 1bvm n GLY 30 Ca 0.44 -1.13 0.12 0.00 0.00 0.00 0.00 46.02 45.44 1bvm n GLY 30 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bvm h LEU 31 N 0.00 0.00 0.00 0.99 -0.00 -1.96 -3.46 115.31 110.87 1bvm h LEU 31 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1bvm h LEU 31 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1bvm h LEU 31 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.05 1bvm n GLY 32 N 1.15 1.36 1.68 0.83 0.00 -1.26 -5.09 105.19 103.86 1bvm n GLY 32 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1bvm n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bvm n GLY 33 N 5.00 -4.52 2.69 -0.02 0.00 -1.25 -4.68 105.19 102.42 1bvm n GLY 33 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 46.02 45.28 1bvm n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bvm s SER 34 N -4.31 -0.17 0.00 1.61 1.04 -0.93 -4.73 113.70 106.21 1bvm s SER 34 Ca 0.00 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1bvm s SER 34 Cb 0.00 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1bvm s SER 34 CO 0.00 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1bvm n GLY 35 N 3.09 -1.45 3.47 7.32 0.00 -1.26 -5.05 105.19 111.31 1bvm n GLY 35 Ca 0.08 -1.19 -0.54 0.00 0.00 0.00 0.00 46.02 44.37 1bvm n GLY 35 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bvm n THR 36 N 7.54 0.84 -1.38 2.61 -1.04 -1.26 -4.82 114.28 116.77 1bvm n THR 36 Ca 0.00 -0.21 -0.29 0.00 -2.04 0.00 0.00 64.05 61.50 1bvm n THR 36 Cb 0.00 -0.11 0.19 0.00 -1.82 0.00 0.00 70.33 68.59 1bvm n THR 36 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1bvm s PRO 37 N -0.41 -0.04 0.00 -2.82 0.04 -1.26 -4.66 135.00 125.85 1bvm s PRO 37 Ca 0.79 0.02 0.02 0.00 0.04 0.00 0.00 61.00 61.87 1bvm s PRO 37 Cb -1.09 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1bvm s PRO 37 CO 0.56 -2.94 0.41 1.33 0.04 0.00 0.00 177.00 176.40 1bvm n VAL 38 N -4.23 0.00 -3.94 -0.36 0.24 -1.26 -4.96 118.33 103.82 1bvm n VAL 38 Ca 0.11 -0.48 0.01 0.00 -2.04 0.00 0.00 64.34 61.94 1bvm n VAL 38 Cb 0.59 1.03 0.01 0.00 -1.47 0.00 0.00 33.84 34.00 1bvm n VAL 38 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bvm n ASP 39 N -0.27 -1.02 0.00 -1.34 2.03 -1.26 -4.99 116.55 109.71 1bvm n ASP 39 Ca 0.01 -1.29 -0.12 0.00 0.52 0.00 0.00 54.79 53.91 1bvm n ASP 39 Cb 0.05 1.59 -0.07 0.00 -0.72 0.00 0.00 41.12 41.97 1bvm n ASP 39 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1bvm h ASP 40 N 1.55 0.06 -0.97 1.67 1.82 -1.98 -2.73 116.42 115.83 1bvm h ASP 40 Ca -0.17 -0.21 0.16 0.00 -0.39 0.00 0.00 57.03 56.42 1bvm h ASP 40 Cb 0.92 -0.02 -0.10 0.00 0.68 0.00 0.00 39.33 40.82 1bvm h ASP 40 CO 0.25 0.25 0.58 0.25 -1.61 0.00 0.00 179.24 178.96 1bvm h LEU 41 N -0.13 0.78 -1.47 2.28 5.85 -1.92 0.27 115.31 120.96 1bvm h LEU 41 Ca 0.01 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1bvm h LEU 41 Cb 0.21 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1bvm h LEU 41 CO -0.00 0.34 0.40 -0.78 -0.34 0.00 0.00 178.44 178.06 1bvm h ASP 42 N 0.81 0.59 -0.74 1.25 1.82 -1.86 -0.54 116.42 117.74 1bvm h ASP 42 Ca 0.53 -0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 57.11 1bvm h ASP 42 Cb 0.71 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.55 1bvm h ASP 42 CO -0.34 0.40 0.27 0.03 -1.61 0.00 0.00 179.24 177.99 1bvm h ARG 43 N 0.68 1.13 -0.87 0.28 3.08 -0.28 -0.79 114.38 117.61 1bvm h ARG 43 Ca 0.25 -0.22 0.16 0.00 0.07 0.00 0.00 59.98 60.24 1bvm h ARG 43 Cb 0.14 -0.17 -0.10 0.00 0.08 0.00 0.00 29.97 29.91 1bvm h ARG 43 CO -0.07 0.94 0.44 0.00 -1.07 0.00 0.00 179.97 180.21 1bvm h GLN 46 N -0.30 0.56 -0.02 0.00 4.15 -0.09 0.66 115.11 120.07 1bvm h GLN 46 Ca -0.02 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.23 1bvm h GLN 46 Cb 0.94 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.49 1bvm h GLN 46 CO 0.05 0.37 -0.62 1.15 -1.93 0.00 0.00 178.83 177.86 1bvm h THR 47 N 0.58 1.43 -0.15 2.39 2.02 -0.95 -2.69 112.91 115.54 1bvm h THR 47 Ca 0.57 -2.09 0.01 0.00 0.77 0.00 0.00 66.41 65.67 1bvm h THR 47 Cb 1.15 2.11 -0.01 0.00 -1.74 0.00 0.00 68.15 69.66 1bvm h THR 47 CO -0.34 0.60 0.08 -0.74 0.37 0.00 0.00 175.52 175.50 1bvm h HIS 48 N 0.05 0.15 -0.06 3.16 -0.00 0.72 0.17 115.15 119.33 1bvm h HIS 48 Ca -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1bvm h HIS 48 Cb 1.10 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 28.47 1bvm h HIS 48 CO 0.01 0.09 0.03 -0.44 -0.00 0.00 0.00 177.93 177.62 1bvm h ASP 49 N 0.17 0.08 -0.52 3.26 3.32 -1.37 -0.94 116.42 120.41 1bvm h ASP 49 Ca 0.06 -0.09 0.10 0.00 0.02 0.00 0.00 57.03 57.11 1bvm h ASP 49 Cb 0.00 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1bvm h ASP 49 CO -0.03 0.15 0.35 0.78 -1.72 0.00 0.00 179.24 178.78 1bvm h ASN 50 N 0.00 0.26 0.51 6.45 2.35 -1.15 0.87 115.58 124.88 1bvm h ASN 50 Ca 0.02 0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.61 1bvm h ASN 50 Cb 0.09 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1bvm h ASN 50 CO -0.00 0.16 -0.73 0.00 -1.65 0.00 0.00 177.43 175.20 1bvm h TYR 52 N 0.12 0.00 0.15 0.00 -1.99 0.48 -0.97 116.97 114.76 1bvm h TYR 52 Ca -0.02 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 1bvm h TYR 52 Cb 1.29 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.02 1bvm h TYR 52 CO 0.02 0.27 -0.07 0.87 -0.00 0.00 0.00 178.16 179.24 1bvm h LYS 53 N 0.00 -0.20 -0.83 4.88 1.79 -1.18 -2.93 116.57 118.09 1bvm h LYS 53 Ca -0.00 0.01 0.21 0.00 -2.18 0.00 0.00 60.65 58.69 1bvm h LYS 53 Cb 0.67 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.32 1bvm h LYS 53 CO 0.03 0.04 0.57 1.96 -1.08 0.00 0.00 179.45 180.98 1bvm h GLN 54 N -1.01 0.22 -0.65 3.15 4.20 -1.44 0.11 115.11 119.69 1bvm h GLN 54 Ca -0.02 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1bvm h GLN 54 Cb 0.34 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1bvm h GLN 54 CO 0.03 0.15 0.19 0.00 -0.67 0.00 0.00 178.83 178.54 1bvm h ALA 55 N 1.61 0.85 -0.33 3.87 0.00 -1.17 -2.52 119.26 121.57 1bvm h ALA 55 Ca 0.42 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1bvm h ALA 55 Cb 1.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1bvm h ALA 55 CO -0.10 0.53 -0.28 0.87 0.00 0.00 0.00 179.25 180.28 1bvm h LYS 56 N 0.94 0.67 -0.63 0.00 1.79 -0.61 -2.83 116.57 115.90 1bvm h LYS 56 Ca 0.21 -0.29 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1bvm h LYS 56 Cb 0.31 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.90 1bvm h LYS 56 CO -0.01 0.87 0.37 -0.22 -1.08 0.00 0.00 179.45 179.39 1bvm h LYS 57 N 0.58 0.85 -6.07 3.15 3.64 -1.07 -3.03 116.57 114.61 1bvm h LYS 57 Ca 0.07 -0.07 -0.79 0.00 -1.27 0.00 0.00 60.65 58.59 1bvm h LYS 57 Cb 0.77 -0.18 0.03 0.00 -0.41 0.00 0.00 32.23 32.44 1bvm h LYS 57 CO 0.06 0.60 0.54 1.28 -2.27 0.00 0.00 179.45 179.66 1bvm n LEU 58 N -4.40 1.22 -0.11 5.20 4.77 -0.98 -4.58 117.00 118.12 1bvm n LEU 58 Ca 0.06 1.15 -0.08 0.00 -0.03 0.00 0.00 56.01 57.11 1bvm n LEU 58 Cb 0.07 -1.00 -0.06 0.00 -2.33 0.00 0.00 43.42 40.11 1bvm n LEU 58 CO 0.37 -1.06 0.50 0.44 -1.33 0.00 0.00 177.39 176.30 1bvm h ASP 59 N 4.91 -1.08 -0.80 -1.43 3.32 -1.89 0.63 116.42 120.06 1bvm h ASP 59 Ca -0.47 0.15 0.19 0.00 0.02 0.00 0.00 57.03 56.92 1bvm h ASP 59 Cb 1.37 0.45 -0.14 0.00 0.22 0.00 0.00 39.33 41.23 1bvm h ASP 59 CO 0.86 -0.21 0.01 -1.28 -1.72 0.00 0.00 179.24 176.89 1bvm h SER 60 N -0.18 -0.38 -0.44 6.45 0.87 -1.94 0.12 113.55 118.05 1bvm h SER 60 Ca 0.05 0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 60.76 1bvm h SER 60 Cb 0.32 0.37 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 1bvm h SER 60 CO -0.37 -0.21 0.05 0.00 -0.53 0.00 0.00 176.83 175.77 1bvm n LYS 62 N -4.45 0.06 -0.69 0.00 4.81 0.20 -2.02 118.16 116.07 1bvm n LYS 62 Ca 0.00 0.29 0.03 0.00 -0.87 0.00 0.00 58.31 57.76 1bvm n LYS 62 Cb 0.26 -1.50 0.20 0.00 0.02 0.00 0.00 35.03 34.01 1bvm n LYS 62 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1bvm n VAL 63 N -1.40 2.26 0.00 3.15 3.14 -0.51 -4.77 118.33 120.21 1bvm n VAL 63 Ca 0.03 -3.25 0.00 0.00 -2.96 0.00 0.00 64.34 58.16 1bvm n VAL 63 Cb 0.08 -0.29 0.00 0.00 -1.06 0.00 0.00 33.84 32.57 1bvm n VAL 63 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1bvm n LEU 64 N -1.10 0.00 -0.56 6.55 4.77 -0.85 -5.00 117.00 120.81 1bvm n LEU 64 Ca 0.22 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1bvm n LEU 64 Cb 0.74 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.77 1bvm n LEU 64 CO 0.01 -0.16 0.25 0.52 -1.33 0.00 0.00 177.39 176.68 1bvm n VAL 65 N -1.58 0.00 -0.65 4.08 0.31 -1.26 -5.15 118.33 114.09 1bvm n VAL 65 Ca 0.00 -0.02 0.06 0.00 -0.01 0.00 0.00 64.34 64.36 1bvm n VAL 65 Cb 0.00 0.17 -0.01 0.00 -0.91 0.00 0.00 33.84 33.09 1bvm n VAL 65 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1bvm n ASP 66 N 0.01 -2.75 -2.67 4.52 9.92 -1.26 -4.91 116.55 119.40 1bvm n ASP 66 Ca -0.02 0.45 -0.02 0.00 -0.53 0.00 0.00 54.79 54.67 1bvm n ASP 66 Cb 0.57 -1.55 -0.02 0.00 -0.64 0.00 0.00 41.12 39.49 1bvm n ASP 66 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1bvm n ASN 67 N -4.33 -4.38 -3.36 -2.24 5.15 -1.26 -4.60 115.26 100.25 1bvm n ASN 67 Ca 0.00 1.20 -0.31 0.00 -0.60 0.00 0.00 54.58 54.88 1bvm n ASN 67 Cb 0.19 -3.15 -0.03 0.00 -0.53 0.00 0.00 39.78 36.27 1bvm n ASN 67 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1bvm n PRO 68 N 2.12 2.06 0.13 1.20 -0.04 -1.26 -3.87 135.00 135.34 1bvm n PRO 68 Ca -0.13 -1.70 0.00 0.00 -0.04 0.00 0.00 63.50 61.63 1bvm n PRO 68 Cb 0.21 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 1bvm n PRO 68 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1bvm n TYR 69 N 5.29 -2.38 0.24 0.54 4.02 -1.26 -4.82 117.16 118.79 1bvm n TYR 69 Ca 0.49 0.43 0.14 0.00 -0.01 0.00 0.00 57.90 58.95 1bvm n TYR 69 Cb 0.24 0.63 0.75 0.00 -0.02 0.00 0.00 39.34 40.94 1bvm n TYR 69 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 1bvm h THR 70 N 0.00 0.00 -4.09 -0.72 1.35 -1.87 -3.34 112.91 104.23 1bvm h THR 70 Ca 0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 66.41 65.32 1bvm h THR 70 Cb 0.00 0.61 0.13 0.00 -1.73 0.00 0.00 68.15 67.16 1bvm h THR 70 CO 0.00 0.00 0.51 0.21 -0.25 0.00 0.00 175.52 175.99 1bvm s ASN 71 N -4.27 4.99 -0.21 5.36 2.47 -1.26 -4.85 114.94 117.17 1bvm s ASN 71 Ca -0.03 2.52 -0.04 0.00 0.42 0.00 0.00 52.86 55.73 1bvm s ASN 71 Cb 0.08 -2.61 0.08 0.00 -1.45 0.00 0.00 41.25 37.35 1bvm s ASN 71 CO 0.25 -1.74 0.15 0.21 -3.72 0.00 0.00 177.10 172.25 1bvm s ASN 72 N -1.43 2.31 0.06 -4.21 2.47 -1.26 -4.55 114.94 108.33 1bvm s ASN 72 Ca 0.79 -0.68 0.01 0.00 0.42 0.00 0.00 52.86 53.40 1bvm s ASN 72 Cb -0.34 -0.05 -0.04 0.00 -1.45 0.00 0.00 41.25 39.37 1bvm s ASN 72 CO 0.37 -0.37 0.14 -0.72 -3.72 0.00 0.00 177.10 172.80 1bvm s TYR 73 N 2.20 3.35 0.17 0.43 -0.85 -1.26 -5.09 117.35 116.29 1bvm s TYR 73 Ca 0.05 0.17 -0.04 0.00 -0.52 0.00 0.00 57.07 56.73 1bvm s TYR 73 Cb -0.16 -1.69 -0.05 0.00 0.38 0.00 0.00 41.96 40.44 1bvm s TYR 73 CO -0.18 0.56 0.40 -1.12 -1.52 0.00 0.00 175.55 173.68 1bvm s SER 74 N -2.40 6.46 0.00 -0.18 0.01 -1.26 -5.08 113.70 111.25 1bvm s SER 74 Ca 0.31 0.55 0.00 0.00 1.31 0.00 0.00 55.95 58.12 1bvm s SER 74 Cb -0.13 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.03 1bvm s SER 74 CO 0.24 0.00 0.00 0.00 0.41 0.00 0.00 173.24 173.89 1bvm n TYR 75 N -0.22 -0.56 -3.84 2.43 4.11 -1.26 -2.99 117.16 114.84 1bvm n TYR 75 Ca -0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.80 1bvm n TYR 75 Cb 0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.85 1bvm n TYR 75 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1bvm s SER 76 N -0.93 -0.20 0.30 9.48 0.15 0.74 -4.89 113.70 118.35 1bvm s SER 76 Ca 0.00 -0.66 0.06 0.00 0.70 0.00 0.00 55.95 56.05 1bvm s SER 76 Cb 0.00 0.71 -0.06 0.00 -1.71 0.00 0.00 66.02 64.96 1bvm s SER 76 CO 0.00 -1.33 -0.03 0.00 1.20 0.00 0.00 173.24 173.08 1bvm n SER 78 N -0.63 0.00 -4.00 0.00 7.64 -0.79 -4.86 113.62 110.97 1bvm n SER 78 Ca -0.05 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.57 1bvm n SER 78 Cb 0.64 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.81 1bvm n SER 78 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1bvm n ASN 79 N 0.00 -0.25 -4.26 6.43 4.13 -1.26 0.07 115.26 120.12 1bvm n ASN 79 Ca 0.00 -1.05 -0.36 0.00 1.68 0.00 0.00 54.58 54.84 1bvm n ASN 79 Cb 0.00 -2.83 -0.04 0.00 -1.54 0.00 0.00 39.78 35.38 1bvm n ASN 79 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1bvm n ASN 80 N -2.96 -2.77 -4.11 6.41 5.03 -1.26 -4.92 115.26 110.68 1bvm n ASN 80 Ca -0.31 -1.05 -0.11 0.00 0.87 0.00 0.00 54.58 53.97 1bvm n ASN 80 Cb 0.69 -2.58 -0.11 0.00 -1.02 0.00 0.00 39.78 36.76 1bvm n ASN 80 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1bvm s GLU 81 N -6.97 0.68 -0.12 3.52 2.02 0.11 -4.43 118.70 113.51 1bvm s GLU 81 Ca 0.68 -1.07 -0.11 0.00 0.02 0.00 0.00 54.97 54.49 1bvm s GLU 81 Cb -0.38 -0.21 -0.05 0.00 0.10 0.00 0.00 34.13 33.60 1bvm s GLU 81 CO 0.94 0.00 0.24 0.42 0.02 0.00 0.00 175.26 176.89 1bvm s ILE 82 N -2.65 5.33 -0.07 -1.63 1.01 -1.26 -1.89 121.20 120.03 1bvm s ILE 82 Ca 0.02 0.44 0.03 0.00 0.00 0.00 0.00 60.65 61.14 1bvm s ILE 82 Cb -0.01 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 1bvm s ILE 82 CO -0.03 0.51 -0.17 -0.89 0.00 0.00 0.00 174.94 174.36 1bvm s THR 83 N -0.36 2.78 -0.05 2.92 2.01 0.55 -4.92 115.64 118.57 1bvm s THR 83 Ca 0.16 -0.80 0.04 0.00 0.31 0.00 0.00 61.69 61.40 1bvm s THR 83 Cb -0.13 -2.09 0.00 0.00 0.01 0.00 0.00 72.50 70.29 1bvm s THR 83 CO 0.05 0.57 -0.15 0.00 -0.69 0.00 0.00 174.62 174.39 1bvm n SER 85 N 3.34 -2.93 0.02 0.00 7.64 -1.16 -4.90 113.62 115.64 1bvm n SER 85 Ca -0.19 0.53 -0.14 0.00 1.01 0.00 0.00 58.87 60.08 1bvm n SER 85 Cb 0.53 -1.01 -0.14 0.00 -1.01 0.00 0.00 64.21 62.58 1bvm n SER 85 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1bvm h SER 86 N -0.39 0.23 -0.16 6.43 4.64 -1.99 -3.29 113.55 119.02 1bvm h SER 86 Ca -0.44 -0.39 0.05 0.00 -0.47 0.00 0.00 61.79 60.54 1bvm h SER 86 Cb 1.37 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 1bvm h SER 86 CO 0.38 1.34 0.36 -0.33 -0.87 0.00 0.00 176.83 177.71 1bvm h GLU 87 N 0.04 0.00 -5.62 4.77 5.08 -2.01 -3.41 114.58 113.43 1bvm h GLU 87 Ca -0.27 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.46 1bvm h GLU 87 Cb 2.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.20 1bvm h GLU 87 CO 0.12 0.00 1.52 0.09 -1.00 0.00 0.00 179.01 179.74 1bvm n ASN 88 N -3.25 1.02 -3.21 1.42 3.02 -1.24 -4.88 115.26 108.14 1bvm n ASN 88 Ca 0.02 0.35 -0.29 0.00 -0.03 0.00 0.00 54.58 54.63 1bvm n ASN 88 Cb 0.46 -1.04 0.28 0.00 -0.61 0.00 0.00 39.78 38.86 1bvm n ASN 88 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1bvm n ASN 89 N 9.76 -4.08 -0.41 6.41 0.23 -1.26 -3.73 115.26 122.18 1bvm n ASN 89 Ca 0.54 -0.82 0.38 0.00 -0.53 0.00 0.00 54.58 54.15 1bvm n ASN 89 Cb 0.09 -0.94 0.74 0.00 -2.08 0.00 0.00 39.78 37.59 1bvm n ASN 89 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bvm h ALA 90 N -3.56 3.18 0.00 -2.53 0.00 -1.97 0.23 119.26 114.61 1bvm h ALA 90 Ca -0.37 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1bvm h ALA 90 Cb 1.25 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1bvm h ALA 90 CO 0.22 -1.59 -0.06 0.00 0.00 0.00 0.00 179.25 177.82 1bvm h GLU 92 N -1.00 0.00 0.01 0.00 4.39 -1.61 0.19 114.58 116.56 1bvm h GLU 92 Ca -0.01 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.52 1bvm h GLU 92 Cb 0.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1bvm h GLU 92 CO -0.00 0.00 -0.93 0.00 -1.16 0.00 0.00 179.01 176.92 1bvm h ALA 93 N 1.76 0.19 -0.89 3.43 0.00 -0.66 -2.98 119.26 120.10 1bvm h ALA 93 Ca 0.09 -1.01 -0.02 0.00 0.00 0.00 0.00 54.91 53.97 1bvm h ALA 93 Cb 0.51 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1bvm h ALA 93 CO -0.00 0.52 0.48 0.35 0.00 0.00 0.00 179.25 180.61 1bvm h PHE 94 N -0.96 1.23 -0.29 0.00 3.57 -0.67 -0.31 116.94 119.52 1bvm h PHE 94 Ca -0.25 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.17 1bvm h PHE 94 Cb 1.25 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1bvm h PHE 94 CO 0.15 0.86 -0.00 0.82 -2.23 0.00 0.00 178.31 177.90 1bvm h ILE 95 N 1.25 1.26 -0.02 1.41 2.04 -0.80 -2.42 117.51 120.23 1bvm h ILE 95 Ca 0.31 -0.93 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 1bvm h ILE 95 Cb 0.04 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1bvm h ILE 95 CO -0.05 0.30 -0.16 0.00 0.00 0.00 0.00 178.15 178.24 1bvm h ASN 97 N 0.03 0.17 -0.26 0.00 2.35 -0.68 -0.81 115.58 116.38 1bvm h ASN 97 Ca 0.00 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.60 1bvm h ASN 97 Cb 0.30 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1bvm h ASN 97 CO 0.02 0.61 -0.14 0.00 -1.65 0.00 0.00 177.43 176.28 1bvm h ASP 99 N 0.27 0.89 -0.10 0.00 3.32 -1.43 -2.64 116.42 116.73 1bvm h ASP 99 Ca 0.06 -0.51 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 1bvm h ASP 99 Cb 0.65 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 1bvm h ASP 99 CO 0.04 1.30 0.04 -0.09 -1.72 0.00 0.00 179.24 178.81 1bvm h ARG 100 N 0.58 0.15 -0.40 3.56 2.43 -1.13 -0.66 114.38 118.91 1bvm h ARG 100 Ca -0.01 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1bvm h ARG 100 Cb 1.23 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 1bvm h ARG 100 CO 0.13 0.28 0.27 -0.91 -1.51 0.00 0.00 179.97 178.23 1bvm h ASN 101 N -0.01 0.40 0.01 -3.80 4.21 -1.25 0.20 115.58 115.34 1bvm h ASN 101 Ca 0.03 -0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.54 1bvm h ASN 101 Cb 0.19 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.29 1bvm h ASN 101 CO -0.00 0.28 -0.00 0.00 -1.29 0.00 0.00 177.43 176.42 1bvm h ALA 102 N 1.76 -0.01 -0.42 -0.83 0.00 -1.07 -1.99 119.26 116.71 1bvm h ALA 102 Ca 0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1bvm h ALA 102 Cb 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1bvm h ALA 102 CO -0.04 -0.22 0.13 0.00 0.00 0.00 0.00 179.25 179.12 1bvm h ALA 103 N 0.42 0.55 -0.28 0.00 0.00 -0.76 -2.30 119.26 116.89 1bvm h ALA 103 Ca -0.00 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1bvm h ALA 103 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1bvm h ALA 103 CO 0.00 0.20 0.19 0.82 0.00 0.00 0.00 179.25 180.46 1bvm h ILE 104 N 0.54 1.06 -0.17 0.00 2.04 -0.67 -2.30 117.51 118.00 1bvm h ILE 104 Ca 0.14 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 1bvm h ILE 104 Cb 0.26 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1bvm h ILE 104 CO -0.00 0.07 0.01 0.00 0.00 0.00 0.00 178.15 178.22 1bvm h PHE 106 N 0.06 0.96 0.00 0.00 0.04 -1.07 1.45 116.94 118.39 1bvm h PHE 106 Ca 0.05 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1bvm h PHE 106 Cb 0.35 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1bvm h PHE 106 CO 0.03 0.09 0.00 -1.13 -0.60 0.00 0.00 178.31 176.69 1bvm n SER 107 N -4.89 0.78 -0.91 2.17 3.41 -1.03 -2.79 113.62 110.37 1bvm n SER 107 Ca 0.25 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.59 1bvm n SER 107 Cb 0.68 -0.81 0.09 0.00 -0.26 0.00 0.00 64.21 63.92 1bvm n SER 107 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bvm n LYS 108 N -2.27 2.19 -4.11 4.33 5.02 0.47 -4.96 118.16 118.83 1bvm n LYS 108 Ca 0.04 -1.84 -0.08 0.00 -2.02 0.00 0.00 58.31 54.41 1bvm n LYS 108 Cb 0.36 -1.45 -0.10 0.00 -0.02 0.00 0.00 35.03 33.83 1bvm n LYS 108 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1bvm s VAL 109 N -1.97 0.35 1.05 -0.18 -7.23 0.30 -5.05 120.40 107.67 1bvm s VAL 109 Ca 0.27 -1.82 -0.17 0.00 -1.81 0.00 0.00 61.98 58.44 1bvm s VAL 109 Cb 0.19 -1.54 0.23 0.00 0.56 0.00 0.00 36.38 35.83 1bvm s VAL 109 CO 0.31 -0.95 1.24 -2.16 -0.31 0.00 0.00 175.10 173.23 1bvm s PRO 110 N -3.84 -0.04 -0.17 4.82 0.04 -1.26 -4.79 135.00 129.76 1bvm s PRO 110 Ca 0.08 -0.27 -0.04 0.00 0.04 0.00 0.00 61.00 60.81 1bvm s PRO 110 Cb 0.07 -1.75 0.06 0.00 0.04 0.00 0.00 34.50 32.91 1bvm s PRO 110 CO -0.08 -2.89 0.06 -0.47 0.04 0.00 0.00 177.00 173.65 1bvm s TYR 111 N -3.55 0.57 -1.07 0.56 6.14 -1.26 -4.41 117.35 114.33 1bvm s TYR 111 Ca 0.73 -0.50 -0.21 0.00 0.64 0.00 0.00 57.07 57.72 1bvm s TYR 111 Cb -0.06 -0.83 0.07 0.00 0.42 0.00 0.00 41.96 41.56 1bvm s TYR 111 CO 0.54 -0.52 1.47 -0.80 0.64 0.00 0.00 175.55 176.88 1bvm s ASN 112 N 2.01 6.60 0.52 4.32 0.01 -1.26 -4.82 114.94 122.32 1bvm s ASN 112 Ca 0.01 -1.76 0.36 0.00 -0.71 0.00 0.00 52.86 50.77 1bvm s ASN 112 Cb -0.16 -2.55 1.52 0.00 0.41 0.00 0.00 41.25 40.48 1bvm s ASN 112 CO -0.08 -1.37 1.75 0.11 -1.51 0.00 0.00 177.10 176.00 1bvm h LYS 113 N 9.18 0.05 -0.59 -0.60 1.57 -1.97 0.46 116.57 124.67 1bvm h LYS 113 Ca 0.25 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.93 1bvm h LYS 113 Cb 0.98 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 1bvm h LYS 113 CO 1.39 0.04 0.02 1.49 -0.57 0.00 0.00 179.45 181.82 1bvm h GLU 114 N 0.06 1.03 0.00 3.15 4.22 -2.04 -2.10 114.58 118.90 1bvm h GLU 114 Ca 0.66 -0.32 0.00 0.00 0.08 0.00 0.00 59.36 59.78 1bvm h GLU 114 Cb 2.47 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.62 1bvm h GLU 114 CO -0.08 1.01 0.00 0.72 -2.18 0.00 0.00 179.01 178.48 1bvm n HIS 115 N -4.23 0.00 -1.79 0.92 8.25 0.16 -4.78 115.22 113.75 1bvm n HIS 115 Ca 0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 1bvm n HIS 115 Cb 0.33 -0.20 -0.00 0.00 1.12 0.00 0.00 29.99 31.24 1bvm n HIS 115 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1bvm s LYS 116 N -2.41 4.10 -1.20 -0.41 2.20 -0.79 -2.97 119.74 118.26 1bvm s LYS 116 Ca 0.15 2.59 -0.12 0.00 -0.36 0.00 0.00 55.97 58.23 1bvm s LYS 116 Cb 0.09 -2.97 -0.01 0.00 -1.51 0.00 0.00 37.83 33.43 1bvm s LYS 116 CO 0.19 -0.55 0.73 0.09 -0.36 0.00 0.00 175.35 175.45 1bvm n ASN 117 N 0.52 -3.84 -4.80 1.43 3.02 -0.90 -4.96 115.26 105.73 1bvm n ASN 117 Ca 0.01 -0.94 -0.28 0.00 -0.03 0.00 0.00 54.58 53.34 1bvm n ASN 117 Cb 0.39 -3.67 0.10 0.00 -0.61 0.00 0.00 39.78 35.98 1bvm n ASN 117 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1bvm s LEU 118 N -6.47 2.65 -0.18 3.41 2.96 -1.16 -5.04 118.68 114.85 1bvm s LEU 118 Ca 0.30 0.57 -0.15 0.00 -0.22 0.00 0.00 54.13 54.64 1bvm s LEU 118 Cb -0.10 -3.05 -0.04 0.00 0.50 0.00 0.00 46.19 43.50 1bvm s LEU 118 CO 0.84 -1.91 0.34 -0.62 -1.32 0.00 0.00 176.35 173.67 1bvm s ASP 119 N -4.60 6.43 0.65 3.68 -1.08 -1.26 -4.93 116.67 115.56 1bvm s ASP 119 Ca 0.63 0.51 0.24 0.00 -0.52 0.00 0.00 52.55 53.41 1bvm s ASP 119 Cb -0.10 -2.20 1.28 0.00 -1.46 0.00 0.00 42.92 40.44 1bvm s ASP 119 CO 0.48 0.03 1.72 0.11 0.52 0.00 0.00 175.17 178.03 1bvm h LYS 120 N 6.98 0.00 0.00 4.34 1.57 -1.96 0.37 116.57 127.87 1bvm h LYS 120 Ca -0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.39 1bvm h LYS 120 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1bvm h LYS 120 CO 0.74 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.25 1bvm n LYS 121 N -2.99 0.09 0.00 3.15 4.76 -1.26 0.42 118.16 122.33 1bvm n LYS 121 Ca 0.02 0.53 0.11 0.00 -2.87 0.00 0.00 58.31 56.09 1bvm n LYS 121 Cb 0.60 -1.76 0.07 0.00 -1.84 0.00 0.00 35.03 32.10 1bvm n LYS 121 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1bvm n ASN 122 N -1.95 0.71 -0.77 4.39 3.02 0.13 -5.22 115.26 115.57 1bvm n ASN 122 Ca -0.00 -0.54 0.13 0.00 -0.03 0.00 0.00 54.58 54.14 1bvm n ASN 122 Cb 0.07 0.63 0.27 0.00 -0.61 0.00 0.00 39.78 40.14 1bvm n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64