#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 3.58 0.00 0.00 4.77 -1.26 -4.35 117.00 119.75 1bvm n LEU 2 Ca 0.00 -2.35 0.00 0.00 -0.03 0.00 0.00 56.01 53.63 1bvm n LEU 2 Cb 0.00 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1bvm n LEU 2 CO 0.00 0.75 -0.44 0.79 -1.33 0.00 0.00 177.39 177.16 1bvm n TRP 3 N 0.43 0.00 -0.10 -1.77 7.02 -1.26 -4.69 117.44 117.07 1bvm n TRP 3 Ca 0.18 0.00 -0.06 0.00 -1.02 0.00 0.00 57.50 56.60 1bvm n TRP 3 Cb 0.65 0.03 0.13 0.00 -2.42 0.00 0.00 31.31 29.70 1bvm n TRP 3 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 1bvm h GLN 4 N 0.00 0.79 0.44 -0.99 4.20 -1.99 -3.04 115.11 114.52 1bvm h GLN 4 Ca 0.00 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 1bvm h GLN 4 Cb 0.87 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 1bvm h GLN 4 CO 0.00 0.85 -0.48 0.35 -0.67 0.00 0.00 178.83 178.87 1bvm h PHE 5 N 0.72 -1.34 -1.01 2.96 3.57 -1.86 -1.30 116.94 118.69 1bvm h PHE 5 Ca 0.13 0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.87 1bvm h PHE 5 Cb 0.55 0.53 -0.10 0.00 2.79 0.00 0.00 35.95 39.71 1bvm h PHE 5 CO 0.03 -0.64 0.63 -0.97 -2.23 0.00 0.00 178.31 175.13 1bvm h ASN 6 N -0.94 0.58 -0.87 0.41 -0.73 -1.83 0.33 115.58 112.54 1bvm h ASN 6 Ca -0.05 0.09 -0.01 0.00 1.87 0.00 0.00 56.30 58.20 1bvm h ASN 6 Cb 0.83 -0.01 -0.04 0.00 0.27 0.00 0.00 38.32 39.37 1bvm h ASN 6 CO -0.09 0.16 0.50 1.23 -0.37 0.00 0.00 177.43 178.85 1bvm h GLY 7 N 0.54 1.28 1.02 1.57 0.00 -1.15 -2.11 103.07 104.22 1bvm h GLY 7 Ca 0.58 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1bvm h GLY 7 CO -0.34 0.54 0.63 -0.33 0.00 0.00 0.00 176.54 177.05 1bvm h MET 8 N 1.21 1.31 0.00 4.80 2.86 0.54 -0.80 114.93 124.85 1bvm h MET 8 Ca 0.31 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 1bvm h MET 8 Cb -0.00 -0.29 -0.00 0.00 0.06 0.00 0.00 31.60 31.36 1bvm h MET 8 CO -0.05 0.89 -0.11 0.82 1.06 0.00 0.00 176.91 179.51 1bvm h ILE 9 N 1.35 0.44 0.13 -1.22 2.04 -1.11 -2.70 117.51 116.43 1bvm h ILE 9 Ca 0.36 -0.59 -0.22 0.00 1.00 0.00 0.00 64.86 65.41 1bvm h ILE 9 Cb -0.12 1.41 0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1bvm h ILE 9 CO -0.07 0.11 -0.95 0.11 0.00 0.00 0.00 178.15 177.35 1bvm h LYS 10 N 0.00 0.41 -0.62 2.37 1.57 -0.84 -2.29 116.57 117.18 1bvm h LYS 10 Ca -0.00 -0.62 -0.01 0.00 -1.87 0.00 0.00 60.65 58.15 1bvm h LYS 10 Cb 0.40 0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 1bvm h LYS 10 CO 0.01 1.27 0.34 0.00 -0.57 0.00 0.00 179.45 180.51 1bvm h LYS 12 N 0.84 0.02 -2.38 0.00 1.79 -1.58 -3.35 116.57 111.90 1bvm h LYS 12 Ca 0.22 -0.01 -0.53 0.00 -2.18 0.00 0.00 60.65 58.14 1bvm h LYS 12 Cb 0.03 0.00 -0.37 0.00 -1.58 0.00 0.00 32.23 30.31 1bvm h LYS 12 CO -0.04 0.60 -0.84 0.42 -1.08 0.00 0.00 179.45 178.52 1bvm s ILE 13 N -3.69 0.06 0.17 1.86 1.01 -0.86 -4.90 121.20 114.85 1bvm s ILE 13 Ca -0.02 -1.74 0.02 0.00 0.00 0.00 0.00 60.65 58.92 1bvm s ILE 13 Cb 0.13 -1.03 -0.13 0.00 0.01 0.00 0.00 42.46 41.44 1bvm s ILE 13 CO 0.76 -0.94 1.41 1.55 0.00 0.00 0.00 174.94 177.71 1bvm h PRO 14 N 6.71 0.22 0.00 2.79 0.13 -1.45 -3.11 132.00 137.29 1bvm h PRO 14 Ca 0.10 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1bvm h PRO 14 Cb 0.98 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1bvm h PRO 14 CO 0.26 0.93 0.00 0.66 -0.23 0.00 0.00 178.00 179.62 1bvm h SER 15 N 0.13 0.00 -1.68 1.44 4.64 -1.93 -3.44 113.55 112.71 1bvm h SER 15 Ca -0.04 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.68 1bvm h SER 15 Cb 1.44 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.42 1bvm h SER 15 CO 0.13 0.00 -0.56 -0.55 -0.87 0.00 0.00 176.83 174.98 1bvm s SER 16 N -4.50 4.14 -0.02 4.97 0.15 -1.17 -5.14 113.70 112.13 1bvm s SER 16 Ca 0.05 -1.19 0.04 0.00 0.70 0.00 0.00 55.95 55.55 1bvm s SER 16 Cb 0.10 -0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 63.95 1bvm s SER 16 CO 0.45 -0.45 -0.14 -1.61 1.20 0.00 0.00 173.24 172.69 1bvm s GLU 17 N -3.79 1.25 0.17 5.44 2.02 -1.26 -4.90 118.70 117.64 1bvm s GLU 17 Ca 0.37 -0.50 -0.02 0.00 0.02 0.00 0.00 54.97 54.84 1bvm s GLU 17 Cb 0.06 -1.18 0.05 0.00 0.10 0.00 0.00 34.13 33.16 1bvm s GLU 17 CO 0.20 0.27 1.43 -1.00 0.02 0.00 0.00 175.26 176.18 1bvm h PRO 18 N 5.95 0.44 -0.04 0.39 0.13 -1.91 -2.03 132.00 134.94 1bvm h PRO 18 Ca -0.34 -0.35 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1bvm h PRO 18 Cb 1.16 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1bvm h PRO 18 CO 0.49 0.99 0.00 1.28 -0.23 0.00 0.00 178.00 180.52 1bvm n LEU 19 N -3.85 0.39 -0.05 1.56 4.77 -1.26 -2.30 117.00 116.25 1bvm n LEU 19 Ca -0.04 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1bvm n LEU 19 Cb 0.70 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.77 1bvm n LEU 19 CO 0.48 0.08 0.33 0.18 -1.33 0.00 0.00 177.39 177.13 1bvm n LEU 20 N -0.51 0.60 0.00 2.23 4.77 -1.12 -4.93 117.00 118.04 1bvm n LEU 20 Ca 0.14 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 1bvm n LEU 20 Cb 0.12 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1bvm n LEU 20 CO 0.10 0.18 0.00 -0.67 -1.33 0.00 0.00 177.39 175.67 1bvm n ASP 21 N -0.18 0.00 -3.45 -1.43 -0.08 -0.78 -4.89 116.55 105.74 1bvm n ASP 21 Ca 0.01 0.00 -0.40 0.00 -1.51 0.00 0.00 54.79 52.89 1bvm n ASP 21 Cb 0.46 0.38 0.01 0.00 2.34 0.00 0.00 41.12 44.30 1bvm n ASP 21 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1bvm n PHE 22 N -2.42 2.63 -4.03 -0.67 3.72 -0.97 -4.92 117.46 110.79 1bvm n PHE 22 Ca 0.00 -2.62 -0.14 0.00 -0.05 0.00 0.00 57.45 54.64 1bvm n PHE 22 Cb 0.00 -1.48 -0.14 0.00 -0.94 0.00 0.00 39.48 36.91 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 -0.48 0.35 -0.67 4.37 2.47 -1.23 -4.75 114.94 115.00 1bvm s ASN 23 Ca 0.48 -0.05 -0.15 0.00 0.42 0.00 0.00 52.86 53.55 1bvm s ASN 23 Cb 0.22 -0.04 0.02 0.00 -1.45 0.00 0.00 41.25 40.00 1bvm s ASN 23 CO -0.14 0.04 0.63 -3.20 -3.72 0.00 0.00 177.10 170.71 1bvm n ASN 24 N 3.01 -5.42 -3.85 -4.21 2.85 -1.26 -4.76 115.26 101.62 1bvm n ASN 24 Ca -0.12 -0.55 -0.11 0.00 -0.11 0.00 0.00 54.58 53.69 1bvm n ASN 24 Cb 0.59 -2.07 -0.09 0.00 1.24 0.00 0.00 39.78 39.45 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 -2.42 0.04 0.00 1.20 6.14 -1.13 -1.42 117.35 119.76 1bvm s TYR 25 Ca 0.15 -0.20 0.00 0.00 0.64 0.00 0.00 57.07 57.66 1bvm s TYR 25 Cb -0.02 -0.04 0.00 0.00 0.42 0.00 0.00 41.96 42.33 1bvm s TYR 25 CO 0.87 -0.37 0.00 0.41 0.64 0.00 0.00 175.55 177.10 1bvm n GLY 26 N 0.99 0.09 0.00 8.97 0.00 -1.19 -3.23 105.19 110.82 1bvm n GLY 26 Ca -0.20 -0.80 0.09 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.66 0.00 -1.55 0.00 4.01 -1.26 -3.24 117.16 113.46 1bvm n TYR 28 Ca 0.01 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.41 1bvm n TYR 28 Cb 0.34 -0.80 -0.04 0.00 -0.31 0.00 0.00 39.34 38.53 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 6.11 -0.29 0.07 0.00 0.00 -1.26 -2.85 105.19 106.97 1bvm n GLY 30 Ca 0.39 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 -8.96 0.99 3.38 -1.95 -3.49 115.31 105.28 1bvm h LEU 31 Ca 0.00 -0.69 -0.41 0.00 0.09 0.00 0.00 57.88 56.87 1bvm h LEU 31 Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 1bvm h LEU 31 CO 0.00 1.01 -0.56 -0.83 0.09 0.00 0.00 178.44 178.15 1bvm s GLY 32 N -4.24 2.04 -0.11 0.83 0.00 -1.26 -5.14 107.32 99.44 1bvm s GLY 32 Ca -0.18 -1.76 -0.29 0.00 0.00 0.00 0.00 44.72 42.49 1bvm s GLY 32 CO 0.54 -1.58 0.70 -0.32 0.00 0.00 0.00 173.10 172.43 1bvm s GLY 33 N -3.37 -0.56 -0.30 0.20 0.00 -1.20 -4.45 107.32 97.64 1bvm s GLY 33 Ca 0.36 1.53 -0.05 0.00 0.00 0.00 0.00 44.72 46.56 1bvm s GLY 33 CO 0.17 1.19 0.71 -1.35 0.00 0.00 0.00 173.10 173.83 1bvm s SER 34 N -0.74 -1.14 0.00 1.64 1.04 -1.25 -4.94 113.70 108.32 1bvm s SER 34 Ca -0.08 0.84 0.00 0.00 0.48 0.00 0.00 55.95 57.20 1bvm s SER 34 Cb -0.01 2.01 0.00 0.00 0.10 0.00 0.00 66.02 68.11 1bvm s SER 34 CO 0.07 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1bvm n GLY 35 N 5.42 2.59 3.64 7.32 0.00 -1.26 -4.46 105.19 118.44 1bvm n GLY 35 Ca -0.04 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.57 3.08 -1.22 2.61 -1.04 -1.26 -4.97 114.28 109.90 1bvm n THR 36 Ca 0.00 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.05 61.22 1bvm n THR 36 Cb 0.00 -1.28 0.21 0.00 -1.82 0.00 0.00 70.33 67.44 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 -2.42 -0.39 -0.04 -2.82 0.04 -1.26 -4.81 135.00 123.29 1bvm s PRO 37 Ca 0.68 0.10 0.08 0.00 0.04 0.00 0.00 61.00 61.90 1bvm s PRO 37 Cb -0.48 -1.68 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 1bvm s PRO 37 CO 0.53 -3.19 0.11 1.33 0.04 0.00 0.00 177.00 175.81 1bvm n VAL 38 N -4.42 0.27 -3.87 -0.36 0.24 -1.26 -5.00 118.33 103.93 1bvm n VAL 38 Ca 0.10 -0.26 -0.05 0.00 -2.04 0.00 0.00 64.34 62.09 1bvm n VAL 38 Cb 0.59 -0.24 0.02 0.00 -1.47 0.00 0.00 33.84 32.74 1bvm n VAL 38 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1bvm s ASP 39 N -3.47 0.01 0.47 -1.34 2.15 -1.26 -5.00 116.67 108.23 1bvm s ASP 39 Ca -0.03 -0.80 0.13 0.00 0.43 0.00 0.00 52.55 52.28 1bvm s ASP 39 Cb 0.04 0.59 1.09 0.00 -0.30 0.00 0.00 42.92 44.34 1bvm s ASP 39 CO 0.34 -1.17 2.08 0.44 -0.17 0.00 0.00 175.17 176.69 1bvm h ASP 40 N 2.00 0.23 -0.11 -0.34 5.19 -1.99 -2.28 116.42 119.12 1bvm h ASP 40 Ca -0.29 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.10 1bvm h ASP 40 Cb 1.23 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.68 1bvm h ASP 40 CO 0.37 0.16 0.01 0.25 -3.12 0.00 0.00 179.24 176.92 1bvm h LEU 41 N 0.27 0.19 -0.96 1.55 5.85 -1.93 -2.65 115.31 117.63 1bvm h LEU 41 Ca 0.12 -0.28 0.10 0.00 0.84 0.00 0.00 57.88 58.66 1bvm h LEU 41 Cb 0.13 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 1bvm h LEU 41 CO -0.02 0.42 0.59 -0.78 -0.34 0.00 0.00 178.44 178.31 1bvm h ASP 42 N -0.05 0.89 -0.82 1.25 3.58 -1.80 0.19 116.42 119.66 1bvm h ASP 42 Ca 0.03 0.04 0.13 0.00 0.42 0.00 0.00 57.03 57.65 1bvm h ASP 42 Cb 0.31 -0.14 -0.06 0.00 1.72 0.00 0.00 39.33 41.16 1bvm h ASP 42 CO 0.00 0.51 0.53 0.03 -2.88 0.00 0.00 179.24 177.43 1bvm h ARG 43 N 0.99 0.61 -0.31 0.28 2.47 -1.12 0.17 114.38 117.47 1bvm h ARG 43 Ca 0.46 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 59.13 1bvm h ARG 43 Cb 0.38 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 1bvm h ARG 43 CO -0.24 0.41 0.17 0.00 0.56 0.00 0.00 179.97 180.87 1bvm h GLN 46 N -0.32 0.44 -0.03 0.00 4.15 -0.90 0.43 115.11 118.88 1bvm h GLN 46 Ca -0.00 -0.03 -0.17 0.00 0.77 0.00 0.00 58.65 59.22 1bvm h GLN 46 Cb 0.31 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1bvm h GLN 46 CO 0.00 0.29 -0.76 1.15 -1.93 0.00 0.00 178.83 177.59 1bvm h THR 47 N 0.46 1.45 0.15 2.39 2.02 -0.60 -2.38 112.91 116.39 1bvm h THR 47 Ca 0.50 -2.35 -0.01 0.00 0.77 0.00 0.00 66.41 65.32 1bvm h THR 47 Cb 1.17 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 69.85 1bvm h THR 47 CO -0.21 0.69 -0.07 -0.74 0.37 0.00 0.00 175.52 175.55 1bvm h HIS 48 N 0.13 -0.19 -1.00 3.16 -0.00 0.16 -1.70 115.15 115.72 1bvm h HIS 48 Ca -0.03 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.37 1bvm h HIS 48 Cb 1.33 0.06 -0.06 0.00 -0.00 0.00 0.00 27.41 28.75 1bvm h HIS 48 CO 0.02 0.15 0.65 -0.44 -0.00 0.00 0.00 177.93 178.32 1bvm h ASP 49 N -0.54 1.10 -0.62 3.26 3.32 -1.26 -1.32 116.42 120.37 1bvm h ASP 49 Ca -0.02 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1bvm h ASP 49 Cb 0.42 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1bvm h ASP 49 CO 0.03 0.76 0.37 0.78 -1.72 0.00 0.00 179.24 179.47 1bvm h ASN 50 N 1.28 0.75 -0.53 6.45 2.35 -1.28 -2.16 115.58 122.44 1bvm h ASN 50 Ca 0.39 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 56.00 1bvm h ASN 50 Cb -0.03 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1bvm h ASN 50 CO -0.11 0.58 -0.05 0.00 -1.65 0.00 0.00 177.43 176.20 1bvm h TYR 52 N 0.90 0.00 0.13 0.00 -1.99 -1.00 -0.43 116.97 114.58 1bvm h TYR 52 Ca 0.15 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.88 1bvm h TYR 52 Cb 0.59 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.32 1bvm h TYR 52 CO 0.04 0.05 -0.06 0.87 -0.00 0.00 0.00 178.16 179.05 1bvm h LYS 53 N 0.00 -0.17 -0.59 4.88 1.79 -1.22 -3.05 116.57 118.22 1bvm h LYS 53 Ca -0.00 0.01 0.12 0.00 -2.18 0.00 0.00 60.65 58.60 1bvm h LYS 53 Cb 0.09 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.74 1bvm h LYS 53 CO 0.01 0.30 0.40 1.96 -1.08 0.00 0.00 179.45 181.04 1bvm h GLN 54 N -0.83 0.29 -0.55 3.15 1.08 -1.10 -1.26 115.11 115.89 1bvm h GLN 54 Ca -0.02 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 1bvm h GLN 54 Cb 0.55 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 1bvm h GLN 54 CO 0.03 0.19 0.21 0.00 -0.95 0.00 0.00 178.83 178.32 1bvm h ALA 55 N 1.71 0.72 -0.62 3.87 0.00 -1.05 -2.72 119.26 121.17 1bvm h ALA 55 Ca 0.28 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1bvm h ALA 55 Cb 0.68 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1bvm h ALA 55 CO -0.06 0.34 0.11 0.87 0.00 0.00 0.00 179.25 180.51 1bvm h LYS 56 N 0.76 1.00 -0.43 0.00 1.57 -1.13 -2.49 116.57 115.85 1bvm h LYS 56 Ca 0.18 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1bvm h LYS 56 Cb 0.21 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1bvm h LYS 56 CO -0.01 0.92 0.29 -0.22 -0.57 0.00 0.00 179.45 179.85 1bvm h LYS 57 N 0.95 0.46 -6.01 3.15 3.11 -1.19 -3.28 116.57 113.75 1bvm h LYS 57 Ca 0.19 -0.03 -0.81 0.00 -2.81 0.00 0.00 60.65 57.20 1bvm h LYS 57 Cb 0.39 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.51 1bvm h LYS 57 CO 0.01 0.30 1.03 -0.11 -2.81 0.00 0.00 179.45 177.87 1bvm n LEU 58 N -4.48 1.19 -0.19 5.20 7.94 -0.94 -4.63 117.00 121.09 1bvm n LEU 58 Ca 0.05 0.91 -0.06 0.00 -1.11 0.00 0.00 56.01 55.80 1bvm n LEU 58 Cb 0.15 -0.94 0.00 0.00 0.53 0.00 0.00 43.42 43.16 1bvm n LEU 58 CO 0.35 -0.76 0.63 0.44 -1.11 0.00 0.00 177.39 176.93 1bvm h ASP 59 N 7.42 -1.18 -0.85 1.96 5.19 -1.89 0.66 116.42 127.74 1bvm h ASP 59 Ca -0.29 0.22 0.17 0.00 -0.62 0.00 0.00 57.03 56.52 1bvm h ASP 59 Cb 1.38 0.58 -0.06 0.00 0.18 0.00 0.00 39.33 41.41 1bvm h ASP 59 CO 1.03 -0.31 0.56 0.28 -3.12 0.00 0.00 179.24 177.68 1bvm h SER 60 N -0.18 0.45 0.73 6.45 0.02 -1.94 -0.49 113.55 118.59 1bvm h SER 60 Ca 0.22 0.04 -0.26 0.00 -0.84 0.00 0.00 61.79 60.95 1bvm h SER 60 Cb 0.55 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1bvm h SER 60 CO -0.67 0.21 -1.20 0.00 -1.14 0.00 0.00 176.83 174.03 1bvm h LYS 62 N 0.05 1.06 0.00 0.00 3.64 0.17 0.14 116.57 121.64 1bvm h LYS 62 Ca -0.11 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.19 1bvm h LYS 62 Cb 1.92 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 33.49 1bvm h LYS 62 CO 0.18 0.70 -0.07 -0.24 -2.27 0.00 0.00 179.45 177.75 1bvm h VAL 63 N 1.09 0.13 -0.00 2.00 3.04 -1.56 -3.06 116.25 117.89 1bvm h VAL 63 Ca 0.45 -1.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 1bvm h VAL 63 Cb 0.29 1.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.53 1bvm h VAL 63 CO -0.20 0.07 -0.46 0.18 -1.01 0.00 0.00 177.57 176.15 1bvm n LEU 64 N -3.13 0.63 -1.83 3.16 4.77 0.04 -4.90 117.00 115.73 1bvm n LEU 64 Ca 0.03 -0.07 -0.07 0.00 -0.03 0.00 0.00 56.01 55.87 1bvm n LEU 64 Cb 0.51 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 1bvm n LEU 64 CO 0.34 0.14 -0.08 0.52 -1.33 0.00 0.00 177.39 176.98 1bvm n VAL 65 N -1.32 -0.18 -1.54 4.08 0.31 0.28 -4.70 118.33 115.27 1bvm n VAL 65 Ca 0.07 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.20 1bvm n VAL 65 Cb 0.34 -0.88 -0.11 0.00 -0.91 0.00 0.00 33.84 32.28 1bvm n VAL 65 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1bvm n ASP 66 N -0.75 1.05 -4.77 4.52 -0.08 -1.24 -4.87 116.55 110.40 1bvm n ASP 66 Ca -0.08 -1.05 -0.41 0.00 -1.51 0.00 0.00 54.79 51.74 1bvm n ASP 66 Cb 0.40 -1.36 -0.01 0.00 2.34 0.00 0.00 41.12 42.50 1bvm n ASP 66 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 1bvm s ASN 67 N 8.52 6.50 0.00 1.67 -0.87 -1.26 -4.87 114.94 124.62 1bvm s ASN 67 Ca 1.05 2.83 0.21 0.00 -1.57 0.00 0.00 52.86 55.38 1bvm s ASN 67 Cb -0.36 -2.65 0.98 0.00 -0.02 0.00 0.00 41.25 39.20 1bvm s ASN 67 CO 0.24 -0.74 1.69 -0.81 -2.57 0.00 0.00 177.10 174.91 1bvm n PRO 68 N 0.51 0.12 -2.57 -0.60 -0.04 -1.26 -3.03 135.00 128.14 1bvm n PRO 68 Ca 0.01 0.11 -0.34 0.00 -0.04 0.00 0.00 63.50 63.24 1bvm n PRO 68 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 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 -1.42 3.31 0.00 0.54 4.02 -1.26 -3.53 117.16 118.82 1bvm n TYR 69 Ca 0.07 -3.04 0.00 0.00 -0.01 0.00 0.00 57.90 54.92 1bvm n TYR 69 Cb 0.22 -0.79 0.00 0.00 -0.02 0.00 0.00 39.34 38.75 1bvm n TYR 69 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 1bvm n THR 70 N -0.28 0.00 -1.62 -0.72 5.66 -1.24 -4.77 114.28 111.31 1bvm n THR 70 Ca 0.42 0.00 -0.49 0.00 -3.05 0.00 0.00 64.05 60.93 1bvm n THR 70 Cb 0.36 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.09 1bvm n THR 70 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1bvm n ASN 71 N 0.00 2.98 -4.08 1.09 4.05 -1.17 -4.54 115.26 113.59 1bvm n ASN 71 Ca 0.00 0.75 -0.35 0.00 0.45 0.00 0.00 54.58 55.43 1bvm n ASN 71 Cb 0.00 -1.34 -0.08 0.00 1.23 0.00 0.00 39.78 39.59 1bvm n ASN 71 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1bvm s ASN 72 N 5.34 5.63 0.76 1.20 0.01 -1.26 -2.96 114.94 123.66 1bvm s ASN 72 Ca 0.99 -3.47 -0.11 0.00 -0.71 0.00 0.00 52.86 49.56 1bvm s ASN 72 Cb -0.74 -1.86 0.05 0.00 0.41 0.00 0.00 41.25 39.11 1bvm s ASN 72 CO 0.51 -0.23 1.08 -0.72 -1.51 0.00 0.00 177.10 176.23 1bvm s TYR 73 N -0.96 2.70 -0.36 2.20 -0.85 -1.26 -5.00 117.35 113.82 1bvm s TYR 73 Ca 0.24 1.48 -0.16 0.00 -0.52 0.00 0.00 57.07 58.11 1bvm s TYR 73 Cb -0.11 -3.02 -0.00 0.00 0.38 0.00 0.00 41.96 39.21 1bvm s TYR 73 CO -0.10 -1.70 0.40 0.45 -1.52 0.00 0.00 175.55 173.08 1bvm s SER 74 N -3.51 6.20 0.00 -0.18 0.15 -1.26 -5.05 113.70 110.05 1bvm s SER 74 Ca 0.61 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1bvm s SER 74 Cb -0.16 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 1bvm s SER 74 CO 0.56 -0.41 0.00 0.00 1.20 0.00 0.00 173.24 174.58 1bvm n TYR 75 N 5.47 0.00 -3.62 3.44 4.11 -1.26 -1.63 117.16 123.67 1bvm n TYR 75 Ca -0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.73 1bvm n TYR 75 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.81 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 -0.80 -0.40 0.32 9.48 0.15 0.28 -4.86 113.70 117.88 1bvm s SER 76 Ca 0.00 -0.26 0.08 0.00 0.70 0.00 0.00 55.95 56.46 1bvm s SER 76 Cb 0.00 0.62 -0.06 0.00 -1.71 0.00 0.00 66.02 64.86 1bvm s SER 76 CO 0.00 -1.07 -0.06 0.00 1.20 0.00 0.00 173.24 173.31 1bvm n SER 78 N -0.72 0.00 -4.23 0.00 3.41 -0.46 -4.87 113.62 106.75 1bvm n SER 78 Ca -0.05 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.22 1bvm n SER 78 Cb 0.64 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.52 1bvm n SER 78 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1bvm n ASN 79 N 0.00 -0.23 -4.28 4.04 3.02 -1.26 0.17 115.26 116.72 1bvm n ASN 79 Ca 0.00 -1.26 -0.38 0.00 -0.03 0.00 0.00 54.58 52.91 1bvm n ASN 79 Cb 0.00 -1.55 -0.03 0.00 -0.61 0.00 0.00 39.78 37.58 1bvm n ASN 79 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1bvm n ASN 80 N -2.64 -3.13 -4.02 6.41 5.03 -1.26 -4.91 115.26 110.74 1bvm n ASN 80 Ca -0.27 -1.05 -0.12 0.00 0.87 0.00 0.00 54.58 54.01 1bvm n ASN 80 Cb 0.65 -2.57 -0.12 0.00 -1.02 0.00 0.00 39.78 36.72 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 -6.98 0.45 -0.01 3.52 2.02 0.45 -4.47 118.70 113.68 1bvm s GLU 81 Ca 0.77 -0.62 -0.15 0.00 0.02 0.00 0.00 54.97 54.99 1bvm s GLU 81 Cb -0.42 -0.21 -0.06 0.00 0.10 0.00 0.00 34.13 33.54 1bvm s GLU 81 CO 0.94 0.04 0.41 0.42 0.02 0.00 0.00 175.26 177.09 1bvm s ILE 82 N -1.18 5.03 0.13 -1.63 1.01 -1.26 -1.35 121.20 121.95 1bvm s ILE 82 Ca -0.09 0.85 0.11 0.00 0.00 0.00 0.00 60.65 61.51 1bvm s ILE 82 Cb -0.09 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1bvm s ILE 82 CO 0.00 0.56 -0.26 -0.89 0.00 0.00 0.00 174.94 174.35 1bvm s THR 83 N -0.96 2.21 -0.01 2.92 2.01 0.63 -4.94 115.64 117.50 1bvm s THR 83 Ca 0.24 -1.75 0.01 0.00 0.31 0.00 0.00 61.69 60.50 1bvm s THR 83 Cb -0.17 -1.96 0.00 0.00 0.01 0.00 0.00 72.50 70.38 1bvm s THR 83 CO 0.13 0.07 -0.04 0.00 -0.69 0.00 0.00 174.62 174.09 1bvm n SER 85 N 3.19 -1.60 0.11 0.00 7.64 -0.65 -4.92 113.62 117.40 1bvm n SER 85 Ca -0.16 0.01 0.07 0.00 1.01 0.00 0.00 58.87 59.80 1bvm n SER 85 Cb 0.57 -1.21 0.01 0.00 -1.01 0.00 0.00 64.21 62.57 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 -2.26 0.00 -0.05 6.43 4.64 -2.01 -3.29 113.55 117.00 1bvm h SER 86 Ca -0.54 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.79 1bvm h SER 86 Cb 1.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1bvm h SER 86 CO 0.43 0.23 0.10 -0.33 -0.87 0.00 0.00 176.83 176.39 1bvm h GLU 87 N 0.00 0.00 -5.18 4.77 5.08 -1.97 -3.41 114.58 113.88 1bvm h GLU 87 Ca -0.05 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.82 1bvm h GLU 87 Cb 1.21 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.40 1bvm h GLU 87 CO 0.02 0.00 1.72 0.09 -1.00 0.00 0.00 179.01 179.84 1bvm n ASN 88 N -3.48 0.83 -2.22 1.42 4.13 -1.24 -4.89 115.26 109.81 1bvm n ASN 88 Ca -0.02 0.01 -0.02 0.00 1.68 0.00 0.00 54.58 56.24 1bvm n ASN 88 Cb 0.19 -1.09 0.01 0.00 -1.54 0.00 0.00 39.78 37.34 1bvm n ASN 88 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1bvm n ASN 89 N 11.86 -0.28 -0.36 6.41 6.94 -1.26 -3.84 115.26 134.73 1bvm n ASN 89 Ca 0.58 -0.89 0.27 0.00 -0.02 0.00 0.00 54.58 54.52 1bvm n ASN 89 Cb 0.16 -0.05 0.55 0.00 -2.36 0.00 0.00 39.78 38.08 1bvm n ASN 89 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1bvm h ALA 90 N -2.00 2.35 0.00 -2.53 0.00 -1.97 0.96 119.26 116.07 1bvm h ALA 90 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1bvm h ALA 90 Cb 0.06 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1bvm h ALA 90 CO 0.02 -0.84 -0.16 0.00 0.00 0.00 0.00 179.25 178.27 1bvm h GLU 92 N -0.92 0.08 0.05 0.00 4.39 -1.78 -0.61 114.58 115.79 1bvm h GLU 92 Ca 0.00 -0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.51 1bvm h GLU 92 Cb 0.16 -0.02 0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1bvm h GLU 92 CO 0.00 0.05 -0.75 0.00 -1.16 0.00 0.00 179.01 177.16 1bvm h ALA 93 N 1.79 0.02 -0.24 3.43 0.00 0.86 -2.16 119.26 122.96 1bvm h ALA 93 Ca 0.20 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1bvm h ALA 93 Cb 0.68 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1bvm h ALA 93 CO -0.02 0.40 -0.06 0.35 0.00 0.00 0.00 179.25 179.93 1bvm h PHE 94 N -0.12 0.38 0.02 0.00 3.04 -0.77 -2.24 116.94 117.25 1bvm h PHE 94 Ca -0.11 -0.04 -0.24 0.00 3.98 0.00 0.00 57.97 61.56 1bvm h PHE 94 Cb 1.48 -0.11 0.01 0.00 2.56 0.00 0.00 35.95 39.89 1bvm h PHE 94 CO 0.16 0.43 -1.01 0.82 -2.02 0.00 0.00 178.31 176.68 1bvm h ILE 95 N 0.35 1.38 0.00 1.41 1.08 -1.18 -2.83 117.51 117.71 1bvm h ILE 95 Ca 0.08 -2.47 0.00 0.00 -0.39 0.00 0.00 64.86 62.08 1bvm h ILE 95 Cb 0.33 2.48 0.00 0.00 -3.07 0.00 0.00 36.82 36.56 1bvm h ILE 95 CO 0.01 0.74 0.00 0.00 -0.69 0.00 0.00 178.15 178.22 1bvm h ASN 97 N 0.00 0.44 -0.45 0.00 2.35 -1.29 -2.93 115.58 113.70 1bvm h ASN 97 Ca 0.00 -0.66 -0.03 0.00 -0.55 0.00 0.00 56.30 55.06 1bvm h ASN 97 Cb 0.34 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1bvm h ASN 97 CO 0.00 1.56 0.15 0.00 -1.65 0.00 0.00 177.43 177.49 1bvm h ASP 99 N 0.59 0.79 -0.36 0.00 3.32 -1.64 -2.53 116.42 116.59 1bvm h ASP 99 Ca 0.15 -0.45 -0.09 0.00 0.02 0.00 0.00 57.03 56.65 1bvm h ASP 99 Cb 0.25 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1bvm h ASP 99 CO -0.01 1.08 -0.12 -0.09 -1.72 0.00 0.00 179.24 178.38 1bvm h ARG 100 N 0.51 0.72 -0.19 3.56 2.43 -1.37 -2.09 114.38 117.95 1bvm h ARG 100 Ca 0.06 -0.29 -0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1bvm h ARG 100 Cb 0.84 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 1bvm h ARG 100 CO 0.07 0.89 0.10 -0.91 -1.51 0.00 0.00 179.97 178.61 1bvm h ASN 101 N 0.51 0.23 -0.01 -3.80 2.35 -0.38 -0.12 115.58 114.36 1bvm h ASN 101 Ca 0.09 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 1bvm h ASN 101 Cb 0.64 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.96 1bvm h ASN 101 CO 0.04 0.19 -0.32 0.00 -1.65 0.00 0.00 177.43 175.69 1bvm h ALA 102 N 1.85 0.05 -0.35 -0.83 0.00 -1.20 -2.87 119.26 115.90 1bvm h ALA 102 Ca 0.07 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1bvm h ALA 102 Cb 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1bvm h ALA 102 CO -0.01 0.14 -0.05 0.00 0.00 0.00 0.00 179.25 179.33 1bvm h ALA 103 N 0.29 1.26 -0.24 0.00 0.00 -1.08 -2.51 119.26 116.99 1bvm h ALA 103 Ca -0.04 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1bvm h ALA 103 Cb 1.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1bvm h ALA 103 CO 0.06 0.49 -0.24 0.82 0.00 0.00 0.00 179.25 180.38 1bvm h ILE 104 N 0.54 1.26 -0.24 0.00 2.04 -1.08 -2.98 117.51 117.06 1bvm h ILE 104 Ca 0.11 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 1bvm h ILE 104 Cb 0.42 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1bvm h ILE 104 CO 0.02 0.39 0.09 0.00 0.00 0.00 0.00 178.15 178.64 1bvm h PHE 106 N 0.23 1.09 0.00 0.00 0.04 -1.38 1.07 116.94 118.00 1bvm h PHE 106 Ca 0.08 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.88 1bvm h PHE 106 Cb 0.20 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.02 1bvm h PHE 106 CO -0.00 0.29 -0.23 -1.13 -0.60 0.00 0.00 178.31 176.63 1bvm n SER 107 N -4.73 0.25 -0.01 2.17 3.41 -0.91 -3.68 113.62 110.12 1bvm n SER 107 Ca 0.22 0.17 0.08 0.00 -0.26 0.00 0.00 58.87 59.09 1bvm n SER 107 Cb 0.52 -0.17 -0.13 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.53 0.69 -4.40 4.33 4.76 0.15 -4.99 118.16 117.17 1bvm n LYS 108 Ca 0.06 -0.13 -0.24 0.00 -2.87 0.00 0.00 58.31 55.13 1bvm n LYS 108 Cb 0.34 -1.38 -0.09 0.00 -1.84 0.00 0.00 35.03 32.06 1bvm n LYS 108 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1bvm s VAL 109 N -3.07 2.82 0.92 -0.18 -7.23 0.32 -5.04 120.40 108.94 1bvm s VAL 109 Ca -0.04 -2.20 -0.12 0.00 -1.81 0.00 0.00 61.98 57.81 1bvm s VAL 109 Cb 0.11 -2.48 0.14 0.00 0.56 0.00 0.00 36.38 34.71 1bvm s VAL 109 CO 0.70 -0.37 1.11 -2.16 -0.31 0.00 0.00 175.10 174.08 1bvm s PRO 110 N -3.49 1.07 0.08 4.82 0.04 -1.26 -4.76 135.00 131.49 1bvm s PRO 110 Ca 0.30 0.47 0.09 0.00 0.04 0.00 0.00 61.00 61.90 1bvm s PRO 110 Cb -0.06 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1bvm s PRO 110 CO 0.16 -2.29 -0.25 -0.47 0.04 0.00 0.00 177.00 174.20 1bvm s TYR 111 N -3.12 2.15 -0.10 0.56 5.04 -1.26 -4.31 117.35 116.30 1bvm s TYR 111 Ca 0.64 -0.40 0.01 0.00 -2.44 0.00 0.00 57.07 54.88 1bvm s TYR 111 Cb -0.16 -1.24 0.02 0.00 0.35 0.00 0.00 41.96 40.93 1bvm s TYR 111 CO 0.55 0.19 -0.12 -0.80 -1.34 0.00 0.00 175.55 174.03 1bvm s ASN 112 N -1.53 2.19 0.21 4.32 0.01 -1.26 -5.00 114.94 113.88 1bvm s ASN 112 Ca 0.11 -0.35 0.21 0.00 -0.71 0.00 0.00 52.86 52.12 1bvm s ASN 112 Cb -0.10 -0.94 0.02 0.00 0.41 0.00 0.00 41.25 40.65 1bvm s ASN 112 CO 0.03 -0.03 1.10 0.07 -1.51 0.00 0.00 177.10 176.76 1bvm h LYS 113 N 7.62 0.00 0.00 -0.60 2.10 -1.99 -3.32 116.57 120.38 1bvm h LYS 113 Ca -0.31 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.27 1bvm h LYS 113 Cb 1.16 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.48 1bvm h LYS 113 CO 0.46 0.07 -0.32 1.49 -2.00 0.00 0.00 179.45 179.16 1bvm h GLU 114 N 0.00 0.00 -0.27 0.07 4.81 -2.03 -2.21 114.58 114.95 1bvm h GLU 114 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1bvm h GLU 114 Cb 1.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1bvm h GLU 114 CO 0.01 0.32 0.00 0.72 -0.73 0.00 0.00 179.01 179.33 1bvm n HIS 115 N -3.64 0.35 -1.76 0.92 8.25 -1.25 -4.92 115.22 113.16 1bvm n HIS 115 Ca -0.01 -0.17 -0.41 0.00 -0.26 0.00 0.00 57.72 56.87 1bvm n HIS 115 Cb 0.43 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.54 1bvm n HIS 115 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1bvm n LYS 116 N 0.51 2.70 -3.38 -0.41 4.81 -0.83 -3.17 118.16 118.38 1bvm n LYS 116 Ca 0.15 0.95 -0.14 0.00 -0.87 0.00 0.00 58.31 58.40 1bvm n LYS 116 Cb 0.34 -2.70 0.00 0.00 0.02 0.00 0.00 35.03 32.69 1bvm n LYS 116 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1bvm n ASN 117 N 1.10 -6.43 -4.51 3.14 3.02 -0.51 -4.87 115.26 106.21 1bvm n ASN 117 Ca 0.04 -0.39 -0.29 0.00 -0.03 0.00 0.00 54.58 53.92 1bvm n ASN 117 Cb 0.38 -3.53 0.19 0.00 -0.61 0.00 0.00 39.78 36.20 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 -4.13 1.43 -0.22 3.41 2.96 -1.22 -4.96 118.68 115.94 1bvm s LEU 118 Ca 0.06 1.01 -0.15 0.00 -0.22 0.00 0.00 54.13 54.83 1bvm s LEU 118 Cb -0.01 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.54 1bvm s LEU 118 CO 0.82 -3.31 0.37 -0.62 -1.32 0.00 0.00 176.35 172.29 1bvm s ASP 119 N -3.63 6.36 0.47 3.68 -1.08 -1.26 -4.93 116.67 116.28 1bvm s ASP 119 Ca 0.67 0.41 0.27 0.00 -0.52 0.00 0.00 52.55 53.38 1bvm s ASP 119 Cb -0.16 -2.21 1.49 0.00 -1.46 0.00 0.00 42.92 40.57 1bvm s ASP 119 CO 0.57 -0.09 1.82 0.11 0.52 0.00 0.00 175.17 178.10 1bvm h LYS 120 N 7.58 0.00 0.00 4.34 1.57 -1.98 0.46 116.57 128.54 1bvm h LYS 120 Ca -0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 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 0.69 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.20 1bvm n LYS 121 N -2.54 0.14 0.00 3.15 4.76 -1.26 -0.37 118.16 122.04 1bvm n LYS 121 Ca -0.02 0.47 0.11 0.00 -2.87 0.00 0.00 58.31 56.00 1bvm n LYS 121 Cb 0.16 -1.83 0.02 0.00 -1.84 0.00 0.00 35.03 31.55 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 -2.10 0.83 -0.35 4.39 3.02 0.15 -5.21 115.26 115.99 1bvm n ASN 122 Ca 0.01 -0.73 0.04 0.00 -0.03 0.00 0.00 54.58 53.87 1bvm n ASN 122 Cb 0.15 0.71 0.04 0.00 -0.61 0.00 0.00 39.78 40.07 1bvm n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64