#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 0.00 -0.01 0.00 0.00 -1.26 -4.74 117.00 111.00 1bvm n LEU 2 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 56.01 56.10 1bvm n LEU 2 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.29 1bvm n LEU 2 CO 0.00 0.00 -0.57 -2.67 0.00 0.00 0.00 177.39 174.15 1bvm n TRP 3 N -1.82 0.00 -0.04 1.96 4.27 -1.26 -4.42 117.44 116.12 1bvm n TRP 3 Ca 0.00 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.49 1bvm n TRP 3 Cb 0.44 -0.32 -0.07 0.00 -1.36 0.00 0.00 31.31 30.00 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 0.00 0.24 0.05 -2.67 4.20 -2.00 -2.67 115.11 112.26 1bvm h GLN 4 Ca 0.00 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.63 1bvm h GLN 4 Cb 0.71 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.45 1bvm h GLN 4 CO 0.00 0.58 -0.23 0.35 -0.67 0.00 0.00 178.83 178.86 1bvm h PHE 5 N -0.10 -0.61 -0.68 2.96 3.57 -1.85 -0.76 116.94 119.47 1bvm h PHE 5 Ca 0.03 0.02 0.16 0.00 3.53 0.00 0.00 57.97 61.70 1bvm h PHE 5 Cb 0.50 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.47 1bvm h PHE 5 CO 0.06 -0.32 0.46 -0.91 -2.23 0.00 0.00 178.31 175.37 1bvm h ASN 6 N -0.39 0.23 -0.45 0.41 2.35 -1.77 0.75 115.58 116.71 1bvm h ASN 6 Ca 0.05 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 1bvm h ASN 6 Cb 0.45 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1bvm h ASN 6 CO -0.17 0.12 0.08 1.23 -1.65 0.00 0.00 177.43 177.03 1bvm h GLY 7 N 0.24 0.87 1.03 2.83 0.00 -0.78 -2.54 103.07 104.71 1bvm h GLY 7 Ca 0.33 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 1bvm h GLY 7 CO -0.07 0.50 0.41 -0.33 0.00 0.00 0.00 176.54 177.04 1bvm h MET 8 N 0.77 1.15 0.00 4.80 2.86 -0.44 -1.67 114.93 122.40 1bvm h MET 8 Ca 0.16 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1bvm h MET 8 Cb 0.35 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 1bvm h MET 8 CO 0.01 0.88 -0.15 0.82 1.06 0.00 0.00 176.91 179.53 1bvm h ILE 9 N 1.14 0.54 0.20 -1.22 2.04 -1.34 -2.94 117.51 115.92 1bvm h ILE 9 Ca 0.28 -0.72 -0.32 0.00 1.00 0.00 0.00 64.86 65.11 1bvm h ILE 9 Cb 0.09 1.48 0.03 0.00 -0.74 0.00 0.00 36.82 37.68 1bvm h ILE 9 CO -0.04 0.15 -1.38 0.11 0.00 0.00 0.00 178.15 176.99 1bvm h LYS 10 N 0.00 0.52 -0.67 2.37 1.57 -1.01 -1.62 116.57 117.74 1bvm h LYS 10 Ca -0.00 -0.83 -0.02 0.00 -1.87 0.00 0.00 60.65 57.93 1bvm h LYS 10 Cb 0.47 0.30 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 1bvm h LYS 10 CO 0.02 1.39 0.34 0.00 -0.57 0.00 0.00 179.45 180.63 1bvm h LYS 12 N 0.92 0.18 -3.03 0.00 1.57 -1.62 -3.38 116.57 111.21 1bvm h LYS 12 Ca 0.23 -0.20 -0.65 0.00 -1.87 0.00 0.00 60.65 58.16 1bvm h LYS 12 Cb 0.08 0.06 -0.39 0.00 0.08 0.00 0.00 32.23 32.05 1bvm h LYS 12 CO -0.03 0.95 -0.37 -0.89 -0.57 0.00 0.00 179.45 178.54 1bvm n ILE 13 N -4.48 2.34 0.26 1.86 5.41 -0.61 -4.85 119.36 119.29 1bvm n ILE 13 Ca -0.10 -5.04 0.14 0.00 1.00 0.00 0.00 62.75 58.75 1bvm n ILE 13 Cb 0.53 -2.24 0.40 0.00 -0.71 0.00 0.00 39.64 37.62 1bvm n ILE 13 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1bvm h PRO 14 N 5.41 0.00 0.00 0.38 0.13 -1.46 -2.96 132.00 133.51 1bvm h PRO 14 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1bvm h PRO 14 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1bvm h PRO 14 CO 0.80 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.23 1bvm h SER 15 N 0.00 0.00 -3.25 1.44 4.64 -1.89 -3.42 113.55 111.08 1bvm h SER 15 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 1bvm h SER 15 Cb 0.77 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.49 1bvm h SER 15 CO 0.00 0.00 -0.78 -0.55 -0.87 0.00 0.00 176.83 174.63 1bvm s SER 16 N -4.61 1.76 0.40 4.97 0.15 -1.12 -5.13 113.70 110.12 1bvm s SER 16 Ca 0.07 -0.17 -0.24 0.00 0.70 0.00 0.00 55.95 56.31 1bvm s SER 16 Cb 0.10 -0.60 -0.09 0.00 -1.71 0.00 0.00 66.02 63.73 1bvm s SER 16 CO 0.52 -0.15 1.07 -1.61 1.20 0.00 0.00 173.24 174.27 1bvm s GLU 17 N 1.74 4.12 0.18 5.44 0.41 -1.26 -4.84 118.70 124.49 1bvm s GLU 17 Ca 0.03 1.56 0.01 0.00 -0.41 0.00 0.00 54.97 56.15 1bvm s GLU 17 Cb -0.13 -2.54 0.05 0.00 -1.78 0.00 0.00 34.13 29.74 1bvm s GLU 17 CO -0.06 -0.19 1.42 -1.00 -0.49 0.00 0.00 175.26 174.94 1bvm h PRO 18 N 2.46 0.29 -0.00 0.39 0.13 -1.89 -2.42 132.00 130.96 1bvm h PRO 18 Ca -0.48 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.38 1bvm h PRO 18 Cb 1.22 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1bvm h PRO 18 CO 0.62 0.94 -0.05 1.28 -0.23 0.00 0.00 178.00 180.56 1bvm n LEU 19 N -3.76 0.08 -1.57 1.56 4.77 -1.26 -1.94 117.00 114.87 1bvm n LEU 19 Ca -0.04 0.37 -0.02 0.00 -0.03 0.00 0.00 56.01 56.29 1bvm n LEU 19 Cb 0.74 -0.41 0.09 0.00 -2.33 0.00 0.00 43.42 41.51 1bvm n LEU 19 CO 0.48 0.02 0.17 0.18 -1.33 0.00 0.00 177.39 176.90 1bvm n LEU 20 N -1.41 2.52 0.00 2.23 4.77 -1.15 -4.83 117.00 119.13 1bvm n LEU 20 Ca 0.09 -3.41 0.00 0.00 -0.03 0.00 0.00 56.01 52.66 1bvm n LEU 20 Cb 0.31 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1bvm n LEU 20 CO 0.27 1.24 0.00 -0.67 -1.33 0.00 0.00 177.39 176.90 1bvm n ASP 21 N -0.49 0.00 -2.82 -1.43 -0.08 -0.92 -4.71 116.55 106.10 1bvm n ASP 21 Ca 0.19 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 53.19 1bvm n ASP 21 Cb 0.90 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.33 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 -0.49 3.84 -3.89 -0.67 3.72 -0.82 -5.03 117.46 114.12 1bvm n PHE 22 Ca 0.00 -3.69 -0.10 0.00 -0.05 0.00 0.00 57.45 53.61 1bvm n PHE 22 Cb 0.00 -0.39 -0.09 0.00 -0.94 0.00 0.00 39.48 38.05 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 -3.42 0.08 -1.25 4.37 2.47 -1.24 -4.35 114.94 111.59 1bvm s ASN 23 Ca 0.48 -0.34 -0.21 0.00 0.42 0.00 0.00 52.86 53.21 1bvm s ASN 23 Cb 0.31 0.22 0.02 0.00 -1.45 0.00 0.00 41.25 40.35 1bvm s ASN 23 CO -0.16 -0.44 0.61 -3.20 -3.72 0.00 0.00 177.10 170.19 1bvm n ASN 24 N 1.13 -3.40 -4.07 -4.21 4.05 -1.26 -4.75 115.26 102.75 1bvm n ASN 24 Ca -0.21 -1.16 -0.07 0.00 0.45 0.00 0.00 54.58 53.59 1bvm n ASN 24 Cb 0.57 -2.45 -0.10 0.00 1.23 0.00 0.00 39.78 39.03 1bvm n ASN 24 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1bvm s TYR 25 N -3.67 0.49 0.00 1.20 6.14 -1.26 -3.00 117.35 117.25 1bvm s TYR 25 Ca 0.36 -1.02 0.00 0.00 0.64 0.00 0.00 57.07 57.05 1bvm s TYR 25 Cb -0.17 -0.36 0.00 0.00 0.42 0.00 0.00 41.96 41.85 1bvm s TYR 25 CO 0.93 -0.39 0.00 0.41 0.64 0.00 0.00 175.55 177.14 1bvm n GLY 26 N 0.14 -0.01 0.01 8.97 0.00 -1.25 -3.09 105.19 109.97 1bvm n GLY 26 Ca -0.14 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.90 0.00 -0.55 0.00 4.01 -1.26 -2.30 117.16 115.16 1bvm n TYR 28 Ca 0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.46 1bvm n TYR 28 Cb 0.45 -0.66 0.26 0.00 -0.31 0.00 0.00 39.34 39.08 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 0.80 -1.84 2.35 0.00 0.00 -1.26 -4.15 105.19 101.09 1bvm n GLY 30 Ca 0.03 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 1bvm n GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1bvm n LEU 31 N 0.00 6.77 0.00 0.99 7.94 -1.26 -4.82 117.00 126.62 1bvm n LEU 31 Ca 0.00 -4.56 0.00 0.00 -1.11 0.00 0.00 56.01 50.34 1bvm n LEU 31 Cb 0.00 -0.79 0.00 0.00 0.53 0.00 0.00 43.42 43.16 1bvm n LEU 31 CO 0.00 1.73 0.00 0.61 -1.11 0.00 0.00 177.39 178.62 1bvm n GLY 32 N -0.78 0.36 0.00 -3.96 0.00 -1.26 -5.13 105.19 94.43 1bvm n GLY 32 Ca 0.55 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.04 2.93 3.15 -0.02 0.00 -1.25 -4.52 105.19 105.43 1bvm n GLY 33 Ca 0.00 -2.06 0.06 0.00 0.00 0.00 0.00 46.02 44.02 1bvm n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bvm s SER 34 N 0.00 -0.19 0.00 1.61 0.15 -0.97 -4.83 113.70 109.47 1bvm s SER 34 Ca 0.00 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1bvm s SER 34 Cb 0.00 1.16 0.00 0.00 -1.71 0.00 0.00 66.02 65.47 1bvm s SER 34 CO 0.00 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.02 1bvm n GLY 35 N 5.49 1.77 3.51 9.45 0.00 -1.26 -4.90 105.19 119.25 1bvm n GLY 35 Ca -0.09 -1.54 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.56 2.08 -1.08 2.61 -1.04 -1.26 -4.74 114.28 109.29 1bvm n THR 36 Ca 0.00 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.05 61.29 1bvm n THR 36 Cb 0.00 -0.75 0.17 0.00 -1.82 0.00 0.00 70.33 67.93 1bvm n THR 36 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1bvm n PRO 37 N 0.38 -2.19 -0.01 -2.82 -0.04 -1.26 -4.62 135.00 124.45 1bvm n PRO 37 Ca 0.11 -1.32 -0.01 0.00 -0.04 0.00 0.00 63.50 62.24 1bvm n PRO 37 Cb 0.39 -1.14 -0.01 0.00 -0.04 0.00 0.00 33.50 32.70 1bvm n PRO 37 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1bvm n VAL 38 N -4.01 0.08 -4.05 0.52 0.24 -1.26 -4.93 118.33 104.91 1bvm n VAL 38 Ca 0.11 -0.04 -0.04 0.00 -2.04 0.00 0.00 64.34 62.34 1bvm n VAL 38 Cb 0.42 -0.86 -0.01 0.00 -1.47 0.00 0.00 33.84 31.92 1bvm n VAL 38 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1bvm n ASP 39 N -2.18 -0.07 0.03 -1.34 9.92 -1.26 -5.02 116.55 116.64 1bvm n ASP 39 Ca -0.02 -1.39 -0.04 0.00 -0.53 0.00 0.00 54.79 52.81 1bvm n ASP 39 Cb 0.53 0.30 0.19 0.00 -0.64 0.00 0.00 41.12 41.50 1bvm n ASP 39 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1bvm h ASP 40 N 0.36 0.44 -0.07 -2.24 3.32 -1.99 -2.69 116.42 113.55 1bvm h ASP 40 Ca -0.04 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 1bvm h ASP 40 Cb 0.22 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1bvm h ASP 40 CO 0.06 0.74 -0.08 0.25 -1.72 0.00 0.00 179.24 178.49 1bvm h LEU 41 N 0.37 0.20 -1.47 1.55 5.85 -1.93 -2.84 115.31 117.04 1bvm h LEU 41 Ca 0.05 -0.49 0.17 0.00 0.84 0.00 0.00 57.88 58.44 1bvm h LEU 41 Cb 0.74 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.66 1bvm h LEU 41 CO 0.06 0.64 0.56 -0.78 -0.34 0.00 0.00 178.44 178.58 1bvm h ASP 42 N -0.25 0.47 -0.85 1.25 3.58 -1.93 0.26 116.42 118.96 1bvm h ASP 42 Ca 0.01 0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.52 1bvm h ASP 42 Cb 0.59 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.54 1bvm h ASP 42 CO 0.02 0.23 0.55 0.03 -2.88 0.00 0.00 179.24 177.19 1bvm h ARG 43 N 0.49 1.07 -0.86 0.28 2.47 -1.25 -1.50 114.38 115.08 1bvm h ARG 43 Ca 0.43 -0.06 0.06 0.00 -1.26 0.00 0.00 59.98 59.14 1bvm h ARG 43 Cb 0.92 -0.24 -0.06 0.00 -1.65 0.00 0.00 29.97 28.94 1bvm h ARG 43 CO -0.17 0.71 0.54 0.00 0.56 0.00 0.00 179.97 181.61 1bvm h GLN 46 N 0.59 1.17 -0.31 0.00 4.15 -0.71 -1.00 115.11 119.01 1bvm h GLN 46 Ca 0.16 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.53 1bvm h GLN 46 Cb 0.13 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 1bvm h GLN 46 CO -0.02 0.77 0.21 1.15 -1.93 0.00 0.00 178.83 179.01 1bvm h THR 47 N 1.20 1.03 0.02 2.39 2.02 -0.82 -1.43 112.91 117.32 1bvm h THR 47 Ca 0.36 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.43 1bvm h THR 47 Cb -0.05 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1bvm h THR 47 CO -0.11 0.06 -0.01 -0.74 0.37 0.00 0.00 175.52 175.10 1bvm h HIS 48 N 0.34 -0.02 -0.93 3.16 -0.00 -0.83 0.91 115.15 117.77 1bvm h HIS 48 Ca 0.12 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.50 1bvm h HIS 48 Cb 0.08 0.01 -0.05 0.00 -0.00 0.00 0.00 27.41 27.45 1bvm h HIS 48 CO -0.00 0.10 0.62 -0.44 -0.00 0.00 0.00 177.93 178.21 1bvm h ASP 49 N -0.15 1.06 -0.57 3.26 3.32 -1.26 -1.37 116.42 120.71 1bvm h ASP 49 Ca -0.00 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1bvm h ASP 49 Cb 0.14 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1bvm h ASP 49 CO 0.00 0.77 0.26 0.78 -1.72 0.00 0.00 179.24 179.33 1bvm h ASN 50 N 1.25 0.75 -0.57 6.45 2.35 -0.87 -2.18 115.58 122.76 1bvm h ASN 50 Ca 0.34 -0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.89 1bvm h ASN 50 Cb -0.13 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.02 1bvm h ASN 50 CO -0.08 0.68 0.14 0.00 -1.65 0.00 0.00 177.43 176.52 1bvm h TYR 52 N 0.92 0.33 0.23 0.00 0.05 -0.89 0.22 116.97 117.83 1bvm h TYR 52 Ca 0.19 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 1bvm h TYR 52 Cb 0.35 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1bvm h TYR 52 CO 0.02 0.41 -0.11 0.87 -1.05 0.00 0.00 178.16 178.30 1bvm h LYS 53 N 0.31 -0.30 -0.76 4.88 1.57 -0.78 -2.42 116.57 119.07 1bvm h LYS 53 Ca 0.07 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 59.00 1bvm h LYS 53 Cb 0.34 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 1bvm h LYS 53 CO 0.02 0.08 0.51 1.96 -0.57 0.00 0.00 179.45 181.44 1bvm h GLN 54 N -0.82 0.49 0.00 3.15 4.20 -1.07 0.33 115.11 121.38 1bvm h GLN 54 Ca -0.03 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 1bvm h GLN 54 Cb 0.51 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1bvm h GLN 54 CO 0.05 0.32 -0.24 0.00 -0.67 0.00 0.00 178.83 178.29 1bvm h ALA 55 N 1.64 1.27 -0.01 3.87 0.00 -0.41 -2.80 119.26 122.82 1bvm h ALA 55 Ca 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1bvm h ALA 55 Cb 0.74 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1bvm h ALA 55 CO -0.13 0.30 -0.04 0.87 0.00 0.00 0.00 179.25 180.25 1bvm h LYS 56 N 0.00 0.04 -0.25 0.00 1.57 0.16 -3.10 116.57 114.98 1bvm h LYS 56 Ca -0.00 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1bvm h LYS 56 Cb 0.55 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1bvm h LYS 56 CO 0.03 0.67 0.20 -0.22 -0.57 0.00 0.00 179.45 179.55 1bvm h LYS 57 N -0.57 0.00 -6.03 3.15 3.11 -1.37 -3.31 116.57 111.55 1bvm h LYS 57 Ca -0.00 0.00 -0.80 0.00 -2.81 0.00 0.00 60.65 57.04 1bvm h LYS 57 Cb 0.67 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.90 1bvm h LYS 57 CO 0.01 0.00 0.98 1.28 -2.81 0.00 0.00 179.45 178.91 1bvm n LEU 58 N -4.30 1.41 -0.23 5.20 7.99 -1.07 -4.68 117.00 121.32 1bvm n LEU 58 Ca 0.03 0.95 -0.08 0.00 -0.01 0.00 0.00 56.01 56.90 1bvm n LEU 58 Cb 0.35 -0.97 -0.03 0.00 -0.11 0.00 0.00 43.42 42.65 1bvm n LEU 58 CO 0.34 -0.72 0.57 -2.24 -1.51 0.00 0.00 177.39 173.82 1bvm h ASP 59 N 7.28 -1.50 0.03 -1.43 3.04 -1.90 0.76 116.42 122.71 1bvm h ASP 59 Ca -0.33 0.25 0.03 0.00 -3.24 0.00 0.00 57.03 53.74 1bvm h ASP 59 Cb 1.37 0.69 -0.05 0.00 -1.04 0.00 0.00 39.33 40.30 1bvm h ASP 59 CO 1.01 -0.32 -0.44 0.28 -2.04 0.00 0.00 179.24 177.73 1bvm h SER 60 N -0.19 -1.32 -0.07 4.15 0.02 -1.94 0.14 113.55 114.34 1bvm h SER 60 Ca 0.20 0.16 0.02 0.00 -0.84 0.00 0.00 61.79 61.32 1bvm h SER 60 Cb 0.56 0.51 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 1bvm h SER 60 CO -0.73 -0.48 0.06 0.00 -1.14 0.00 0.00 176.83 174.54 1bvm h LYS 62 N 0.00 0.00 -0.64 0.00 3.11 0.29 -3.07 116.57 116.25 1bvm h LYS 62 Ca 0.03 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.62 1bvm h LYS 62 Cb 0.15 0.00 -0.15 0.00 -1.00 0.00 0.00 32.23 31.23 1bvm h LYS 62 CO -0.00 0.29 0.24 1.33 -2.81 0.00 0.00 179.45 178.50 1bvm n VAL 63 N -3.26 2.83 0.00 2.00 0.24 0.24 -4.70 118.33 115.67 1bvm n VAL 63 Ca 0.02 -2.01 0.00 0.00 -2.04 0.00 0.00 64.34 60.31 1bvm n VAL 63 Cb 0.56 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 1bvm n VAL 63 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1bvm n LEU 64 N -0.68 0.00 -0.54 1.34 4.77 -1.10 -5.02 117.00 115.77 1bvm n LEU 64 Ca 0.41 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.39 1bvm n LEU 64 Cb 1.31 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 42.40 1bvm n LEU 64 CO 0.38 -0.08 0.25 0.52 -1.33 0.00 0.00 177.39 177.14 1bvm n VAL 65 N -1.23 0.00 0.00 4.08 0.31 -1.25 -5.14 118.33 115.10 1bvm n VAL 65 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1bvm n VAL 65 Cb 0.00 0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 1bvm n VAL 65 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1bvm n ASP 66 N 0.00 0.00 -3.13 4.52 5.75 -1.16 -4.85 116.55 117.68 1bvm n ASP 66 Ca -0.02 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.75 1bvm n ASP 66 Cb 0.54 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1bvm n ASP 66 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1bvm n ASN 67 N -3.56 -6.77 0.00 -1.12 2.85 -1.26 -4.78 115.26 100.62 1bvm n ASN 67 Ca 0.00 0.54 0.11 0.00 -0.11 0.00 0.00 54.58 55.13 1bvm n ASN 67 Cb 0.00 -2.19 0.59 0.00 1.24 0.00 0.00 39.78 39.42 1bvm n ASN 67 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1bvm n PRO 68 N 1.14 0.37 -1.27 1.20 -0.04 -1.26 -3.78 135.00 131.36 1bvm n PRO 68 Ca -0.00 0.06 -0.23 0.00 -0.04 0.00 0.00 63.50 63.29 1bvm n PRO 68 Cb 0.43 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.35 1bvm n PRO 68 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1bvm n TYR 69 N -1.25 1.45 0.00 0.54 9.36 -1.26 -3.84 117.16 122.16 1bvm n TYR 69 Ca 0.12 -1.91 0.00 0.00 3.32 0.00 0.00 57.90 59.42 1bvm n TYR 69 Cb 0.17 -1.26 0.00 0.00 -0.63 0.00 0.00 39.34 37.62 1bvm n TYR 69 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 1bvm n THR 70 N 0.84 0.00 0.15 2.97 5.66 -1.25 -4.77 114.28 117.88 1bvm n THR 70 Ca 0.42 0.00 0.11 0.00 -3.05 0.00 0.00 64.05 61.54 1bvm n THR 70 Cb 0.59 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.29 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 0.43 -2.87 1.09 2.85 -1.25 -4.96 115.26 110.54 1bvm n ASN 71 Ca 0.00 0.06 -0.02 0.00 -0.11 0.00 0.00 54.58 54.51 1bvm n ASN 71 Cb 0.00 1.22 -0.02 0.00 1.24 0.00 0.00 39.78 42.22 1bvm n ASN 71 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1bvm n ASN 72 N -2.34 -4.99 -4.79 1.20 2.85 -1.26 -4.98 115.26 100.94 1bvm n ASN 72 Ca -0.01 1.09 -0.26 0.00 -0.11 0.00 0.00 54.58 55.28 1bvm n ASN 72 Cb 0.54 -3.49 -0.05 0.00 1.24 0.00 0.00 39.78 38.01 1bvm n ASN 72 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1bvm s TYR 73 N -0.67 2.21 -0.17 1.20 -0.85 -1.26 -5.01 117.35 112.79 1bvm s TYR 73 Ca -0.10 -0.72 -0.01 0.00 -0.52 0.00 0.00 57.07 55.72 1bvm s TYR 73 Cb 0.01 -1.89 -0.00 0.00 0.38 0.00 0.00 41.96 40.45 1bvm s TYR 73 CO 0.41 0.01 -0.13 -1.12 -1.52 0.00 0.00 175.55 173.20 1bvm s SER 74 N -4.01 3.81 0.28 -0.18 0.01 -1.26 -5.03 113.70 107.33 1bvm s SER 74 Ca 0.33 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 57.16 1bvm s SER 74 Cb 0.02 -1.61 -0.01 0.00 0.21 0.00 0.00 66.02 64.63 1bvm s SER 74 CO 0.19 0.06 0.08 0.00 0.41 0.00 0.00 173.24 173.97 1bvm n TYR 75 N 4.25 0.22 -3.30 2.43 0.18 -1.26 -3.35 117.16 116.33 1bvm n TYR 75 Ca -0.19 -1.71 0.00 0.00 1.88 0.00 0.00 57.90 57.88 1bvm n TYR 75 Cb 0.51 -0.05 0.00 0.00 -0.38 0.00 0.00 39.34 39.43 1bvm n TYR 75 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21 1bvm n SER 76 N -1.61 0.00 -2.18 9.48 7.64 0.72 -4.89 113.62 122.77 1bvm n SER 76 Ca -0.06 -0.63 -0.07 0.00 1.01 0.00 0.00 58.87 59.13 1bvm n SER 76 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 1bvm n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bvm n SER 78 N -1.50 0.00 -4.16 0.00 2.88 0.14 -4.71 113.62 106.27 1bvm n SER 78 Ca -0.03 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.11 1bvm n SER 78 Cb 0.38 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.81 1bvm n SER 78 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1bvm n ASN 79 N 0.00 -1.87 -2.97 -3.46 3.02 -1.26 -0.69 115.26 108.03 1bvm n ASN 79 Ca 0.00 -1.27 -0.16 0.00 -0.03 0.00 0.00 54.58 53.12 1bvm n ASN 79 Cb 0.00 -1.75 0.07 0.00 -0.61 0.00 0.00 39.78 37.49 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 -2.51 -3.31 -3.41 6.41 5.03 -1.26 -5.01 115.26 111.21 1bvm n ASN 80 Ca -0.21 -0.48 -0.14 0.00 0.87 0.00 0.00 54.58 54.63 1bvm n ASN 80 Cb 0.63 -4.20 -0.10 0.00 -1.02 0.00 0.00 39.78 35.09 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 -5.45 0.29 0.35 3.52 2.02 0.13 -4.75 118.70 114.82 1bvm s GLU 81 Ca 0.17 0.30 -0.28 0.00 0.02 0.00 0.00 54.97 55.18 1bvm s GLU 81 Cb -0.08 -0.76 -0.11 0.00 0.10 0.00 0.00 34.13 33.28 1bvm s GLU 81 CO 0.59 -0.72 1.41 0.42 0.02 0.00 0.00 175.26 176.98 1bvm s ILE 82 N 2.44 2.34 0.04 -1.63 1.01 -1.26 -0.68 121.20 123.46 1bvm s ILE 82 Ca 0.10 0.34 0.09 0.00 0.00 0.00 0.00 60.65 61.18 1bvm s ILE 82 Cb -0.15 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 1bvm s ILE 82 CO -0.18 0.08 -0.24 -0.89 0.00 0.00 0.00 174.94 173.71 1bvm s THR 83 N -1.07 2.30 -0.10 2.92 2.01 0.54 -4.81 115.64 117.44 1bvm s THR 83 Ca 0.52 -1.33 0.04 0.00 0.31 0.00 0.00 61.69 61.22 1bvm s THR 83 Cb -0.44 -1.91 0.00 0.00 0.01 0.00 0.00 72.50 70.16 1bvm s THR 83 CO 0.58 0.37 -0.23 0.00 -0.69 0.00 0.00 174.62 174.65 1bvm n SER 85 N 3.54 2.04 -0.48 0.00 3.41 -1.21 -4.75 113.62 116.17 1bvm n SER 85 Ca -0.19 -0.11 0.41 0.00 -0.26 0.00 0.00 58.87 58.72 1bvm n SER 85 Cb 0.53 -1.40 0.75 0.00 -0.26 0.00 0.00 64.21 63.83 1bvm n SER 85 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1bvm h SER 86 N 16.21 0.07 -0.24 4.04 4.64 -1.96 1.09 113.55 137.41 1bvm h SER 86 Ca -0.23 0.03 0.07 0.00 -0.47 0.00 0.00 61.79 61.18 1bvm h SER 86 Cb 1.28 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 1bvm h SER 86 CO 1.15 -0.02 0.38 -0.33 -0.87 0.00 0.00 176.83 177.14 1bvm h GLU 87 N 0.04 0.00 -6.28 4.77 5.08 -2.00 -3.41 114.58 112.78 1bvm h GLU 87 Ca 0.75 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 58.44 1bvm h GLU 87 Cb 2.82 0.00 0.04 0.00 0.50 0.00 0.00 28.75 32.10 1bvm h GLU 87 CO -0.10 0.00 0.80 0.09 -1.00 0.00 0.00 179.01 178.80 1bvm n ASN 88 N -3.40 2.56 -3.86 1.42 3.02 0.38 -4.93 115.26 110.45 1bvm n ASN 88 Ca 0.03 1.07 -0.30 0.00 -0.03 0.00 0.00 54.58 55.35 1bvm n ASN 88 Cb 0.51 -1.27 0.26 0.00 -0.61 0.00 0.00 39.78 38.67 1bvm n ASN 88 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1bvm s ASN 89 N 2.26 0.12 0.55 6.41 4.22 -1.26 -4.24 114.94 123.00 1bvm s ASN 89 Ca 0.89 0.96 0.33 0.00 -2.14 0.00 0.00 52.86 52.90 1bvm s ASN 89 Cb -0.87 -1.41 1.49 0.00 1.28 0.00 0.00 41.25 41.74 1bvm s ASN 89 CO 0.51 -4.66 1.83 0.00 -2.04 0.00 0.00 177.10 172.75 1bvm h ALA 90 N -2.94 2.88 0.00 3.54 0.00 -1.95 0.74 119.26 121.53 1bvm h ALA 90 Ca -0.49 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1bvm h ALA 90 Cb 1.33 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1bvm h ALA 90 CO 0.37 -1.24 -0.01 0.00 0.00 0.00 0.00 179.25 178.37 1bvm h GLU 92 N -1.00 0.27 -0.20 0.00 4.39 -1.71 -0.86 114.58 115.47 1bvm h GLU 92 Ca -0.00 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.50 1bvm h GLU 92 Cb 0.32 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1bvm h GLU 92 CO -0.00 0.18 -0.61 0.00 -1.16 0.00 0.00 179.01 177.42 1bvm h ALA 93 N 1.76 0.56 -0.53 3.43 0.00 -0.98 -1.84 119.26 121.67 1bvm h ALA 93 Ca 0.21 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1bvm h ALA 93 Cb 0.46 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1bvm h ALA 93 CO -0.04 0.70 -0.03 0.35 0.00 0.00 0.00 179.25 180.23 1bvm h PHE 94 N 0.50 0.99 -0.22 0.00 3.04 -0.84 -2.41 116.94 118.00 1bvm h PHE 94 Ca -0.00 -0.16 -0.15 0.00 3.98 0.00 0.00 57.97 61.64 1bvm h PHE 94 Cb 1.19 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.44 1bvm h PHE 94 CO 0.06 0.91 -0.43 0.82 -2.02 0.00 0.00 178.31 177.65 1bvm h ILE 95 N 0.84 1.31 -0.06 1.41 1.08 -1.33 -2.62 117.51 118.15 1bvm h ILE 95 Ca 0.15 -1.65 0.02 0.00 -0.39 0.00 0.00 64.86 62.99 1bvm h ILE 95 Cb 0.53 1.81 -0.00 0.00 -3.07 0.00 0.00 36.82 36.09 1bvm h ILE 95 CO 0.03 0.52 0.07 0.00 -0.69 0.00 0.00 178.15 178.08 1bvm h ASN 97 N 0.00 0.64 -0.31 0.00 2.35 -1.15 -2.26 115.58 114.86 1bvm h ASN 97 Ca 0.03 -0.68 -0.03 0.00 -0.55 0.00 0.00 56.30 55.07 1bvm h ASN 97 Cb 0.17 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1bvm h ASN 97 CO -0.00 1.53 0.07 0.00 -1.65 0.00 0.00 177.43 177.38 1bvm h ASP 99 N 0.34 0.88 -0.13 0.00 5.19 -1.51 -2.59 116.42 118.58 1bvm h ASP 99 Ca 0.10 -0.46 -0.09 0.00 -0.62 0.00 0.00 57.03 55.96 1bvm h ASP 99 Cb 0.30 -0.25 0.00 0.00 0.18 0.00 0.00 39.33 39.56 1bvm h ASP 99 CO 0.00 1.15 -0.27 -0.09 -3.12 0.00 0.00 179.24 176.92 1bvm h ARG 100 N 0.61 0.42 -0.57 3.56 2.43 -1.30 -1.86 114.38 117.67 1bvm h ARG 100 Ca 0.06 -0.27 0.09 0.00 -0.81 0.00 0.00 59.98 59.05 1bvm h ARG 100 Cb 0.90 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.45 1bvm h ARG 100 CO 0.08 0.87 0.38 -0.91 -1.51 0.00 0.00 179.97 178.88 1bvm h ASN 101 N 0.02 0.37 -0.04 -3.80 4.21 0.33 0.29 115.58 116.95 1bvm h ASN 101 Ca 0.00 0.01 -0.16 0.00 1.21 0.00 0.00 56.30 57.36 1bvm h ASN 101 Cb 0.86 -0.07 0.01 0.00 -1.12 0.00 0.00 38.32 38.00 1bvm h ASN 101 CO 0.06 0.23 -0.60 0.00 -1.29 0.00 0.00 177.43 175.82 1bvm h ALA 102 N 1.71 0.13 -0.70 -0.83 0.00 -1.35 -2.20 119.26 116.01 1bvm h ALA 102 Ca 0.26 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1bvm h ALA 102 Cb 0.48 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1bvm h ALA 102 CO -0.07 0.39 0.16 0.00 0.00 0.00 0.00 179.25 179.74 1bvm h ALA 103 N 0.39 0.97 -0.48 0.00 0.00 -0.42 -1.98 119.26 117.73 1bvm h ALA 103 Ca -0.06 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1bvm h ALA 103 Cb 1.28 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1bvm h ALA 103 CO 0.12 0.66 -0.10 0.82 0.00 0.00 0.00 179.25 180.76 1bvm h ILE 104 N 1.06 1.26 -0.47 0.00 2.04 -0.50 -2.73 117.51 118.17 1bvm h ILE 104 Ca 0.22 -1.19 -0.04 0.00 1.00 0.00 0.00 64.86 64.85 1bvm h ILE 104 Cb 0.38 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1bvm h ILE 104 CO 0.00 0.41 0.12 0.00 0.00 0.00 0.00 178.15 178.69 1bvm h PHE 106 N 0.63 0.96 -0.00 0.00 0.04 -1.18 0.26 116.94 117.65 1bvm h PHE 106 Ca 0.15 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1bvm h PHE 106 Cb 0.32 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1bvm h PHE 106 CO 0.02 0.42 -0.02 -1.13 -0.60 0.00 0.00 178.31 177.00 1bvm n SER 107 N -4.67 0.05 -1.01 2.17 3.41 -1.00 -2.97 113.62 109.60 1bvm n SER 107 Ca 0.14 -0.03 0.12 0.00 -0.26 0.00 0.00 58.87 58.84 1bvm n SER 107 Cb 0.25 -0.31 0.16 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.31 2.37 -3.85 4.33 5.02 0.84 -4.94 118.16 120.61 1bvm n LYS 108 Ca 0.12 -2.01 -0.11 0.00 -2.02 0.00 0.00 58.31 54.29 1bvm n LYS 108 Cb 0.27 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.81 0.10 0.77 -0.18 -7.23 -0.82 -5.04 120.40 106.19 1bvm s VAL 109 Ca 0.32 -0.81 -0.11 0.00 -1.81 0.00 0.00 61.98 59.57 1bvm s VAL 109 Cb 0.21 -0.73 0.05 0.00 0.56 0.00 0.00 36.38 36.47 1bvm s VAL 109 CO 0.31 -0.45 1.08 -2.16 -0.31 0.00 0.00 175.10 173.57 1bvm s PRO 110 N -2.08 2.29 -0.52 4.82 0.04 -1.26 -4.84 135.00 133.45 1bvm s PRO 110 Ca -0.09 0.82 -0.05 0.00 0.04 0.00 0.00 61.00 61.72 1bvm s PRO 110 Cb -0.04 -1.93 0.13 0.00 0.04 0.00 0.00 34.50 32.71 1bvm s PRO 110 CO -0.01 -1.52 0.34 -0.47 0.04 0.00 0.00 177.00 175.37 1bvm s TYR 111 N -3.07 3.50 -0.95 0.56 5.04 -1.26 -4.57 117.35 116.59 1bvm s TYR 111 Ca 0.60 -2.40 -0.25 0.00 -2.44 0.00 0.00 57.07 52.58 1bvm s TYR 111 Cb -0.15 -3.30 -0.12 0.00 0.35 0.00 0.00 41.96 38.74 1bvm s TYR 111 CO 0.55 -0.93 2.13 -0.80 -1.34 0.00 0.00 175.55 175.15 1bvm s ASN 112 N 1.61 4.37 0.60 4.32 0.01 -1.26 -4.73 114.94 119.86 1bvm s ASN 112 Ca 0.11 -0.68 0.29 0.00 -0.71 0.00 0.00 52.86 51.87 1bvm s ASN 112 Cb -0.22 -2.57 1.48 0.00 0.41 0.00 0.00 41.25 40.35 1bvm s ASN 112 CO -0.03 -3.59 1.89 0.07 -1.51 0.00 0.00 177.10 173.93 1bvm h LYS 113 N 11.52 0.00 0.00 -0.60 2.10 -1.95 0.57 116.57 128.20 1bvm h LYS 113 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1bvm h LYS 113 Cb 0.99 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1bvm h LYS 113 CO 1.11 0.00 0.00 1.49 -2.00 0.00 0.00 179.45 180.05 1bvm h GLU 114 N 0.00 0.00 -0.43 0.07 4.81 -2.04 -1.88 114.58 115.11 1bvm h GLU 114 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1bvm h GLU 114 Cb 1.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1bvm h GLU 114 CO -0.00 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 179.00 1bvm n HIS 115 N -2.66 0.57 -1.84 0.92 8.25 0.20 -4.94 115.22 115.72 1bvm n HIS 115 Ca 0.01 -0.28 -0.33 0.00 -0.26 0.00 0.00 57.72 56.85 1bvm n HIS 115 Cb 0.23 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.38 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 -1.43 2.93 -1.03 -0.41 2.20 -0.71 -3.91 119.74 117.38 1bvm s LYS 116 Ca 0.35 1.36 -0.17 0.00 -0.36 0.00 0.00 55.97 57.15 1bvm s LYS 116 Cb 0.19 -1.97 0.01 0.00 -1.51 0.00 0.00 37.83 34.54 1bvm s LYS 116 CO 0.25 -1.14 0.71 0.09 -0.36 0.00 0.00 175.35 174.90 1bvm n ASN 117 N -2.29 -5.18 -4.71 1.43 5.03 -1.16 -4.94 115.26 103.44 1bvm n ASN 117 Ca 0.10 -0.97 -0.28 0.00 0.87 0.00 0.00 54.58 54.30 1bvm n ASN 117 Cb 0.52 -2.69 0.11 0.00 -1.02 0.00 0.00 39.78 36.70 1bvm n ASN 117 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1bvm s LEU 118 N -6.05 2.67 -0.28 3.41 2.96 -1.25 -5.03 118.68 115.11 1bvm s LEU 118 Ca 0.30 0.50 -0.15 0.00 -0.22 0.00 0.00 54.13 54.56 1bvm s LEU 118 Cb -0.13 -2.91 -0.03 0.00 0.50 0.00 0.00 46.19 43.61 1bvm s LEU 118 CO 0.89 -2.02 0.39 -0.62 -1.32 0.00 0.00 176.35 173.66 1bvm s ASP 119 N -4.65 6.26 0.65 3.68 -1.08 -1.26 -4.92 116.67 115.35 1bvm s ASP 119 Ca 0.65 0.24 0.26 0.00 -0.52 0.00 0.00 52.55 53.18 1bvm s ASP 119 Cb -0.09 -2.22 1.39 0.00 -1.46 0.00 0.00 42.92 40.55 1bvm s ASP 119 CO 0.49 -0.22 1.79 0.11 0.52 0.00 0.00 175.17 177.86 1bvm h LYS 120 N 8.20 0.00 0.00 4.34 1.57 -1.98 0.31 116.57 129.01 1bvm h LYS 120 Ca -0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 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 0.66 0.00 0.00 0.87 -0.57 0.00 0.00 179.45 180.41 1bvm h LYS 121 N 0.00 0.00 -0.00 3.15 1.79 -2.01 0.39 116.57 119.89 1bvm h LYS 121 Ca 0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1bvm h LYS 121 Cb 0.96 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.61 1bvm h LYS 121 CO -0.00 0.00 -0.63 0.09 -1.08 0.00 0.00 179.45 177.83 1bvm n ASN 122 N -2.34 0.94 -0.72 0.86 3.02 0.11 -5.23 115.26 111.90 1bvm n ASN 122 Ca -0.01 -0.76 0.13 0.00 -0.03 0.00 0.00 54.58 53.92 1bvm n ASN 122 Cb 0.09 0.52 0.31 0.00 -0.61 0.00 0.00 39.78 40.09 1bvm n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64