#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bvm h LEU 2 N 0.00 0.00 -2.02 0.00 6.46 -1.92 -3.26 115.31 114.57 1bvm h LEU 2 Ca 0.00 0.00 0.14 0.00 -0.12 0.00 0.00 57.88 57.90 1bvm h LEU 2 Cb 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1bvm h LEU 2 CO 0.00 0.22 0.40 4.11 -0.62 0.00 0.00 178.44 182.54 1bvm h TRP 3 N -0.30 0.00 -0.20 1.25 5.08 -2.02 0.70 115.95 120.46 1bvm h TRP 3 Ca 0.00 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 59.85 1bvm h TRP 3 Cb 0.13 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.27 1bvm h TRP 3 CO -0.05 0.00 -0.40 1.96 -1.28 0.00 0.00 178.44 178.67 1bvm h GLN 4 N 0.00 0.46 -0.08 0.12 4.20 -1.99 -2.86 115.11 114.96 1bvm h GLN 4 Ca 0.23 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1bvm h GLN 4 Cb 1.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 1bvm h GLN 4 CO -0.00 0.79 0.02 0.35 -0.67 0.00 0.00 178.83 179.31 1bvm h PHE 5 N 0.38 0.13 -0.71 2.96 3.57 -0.90 -2.95 116.94 119.42 1bvm h PHE 5 Ca 0.03 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.59 1bvm h PHE 5 Cb 0.87 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.51 1bvm h PHE 5 CO 0.03 0.31 0.40 -0.91 -2.23 0.00 0.00 178.31 175.90 1bvm h ASN 6 N -0.09 0.59 -0.52 0.41 4.21 -1.51 -2.10 115.58 116.57 1bvm h ASN 6 Ca 0.02 0.03 0.10 0.00 1.21 0.00 0.00 56.30 57.67 1bvm h ASN 6 Cb 0.24 -0.08 -0.11 0.00 -1.12 0.00 0.00 38.32 37.26 1bvm h ASN 6 CO 0.00 0.37 -0.22 1.23 -1.29 0.00 0.00 177.43 177.52 1bvm h GLY 7 N 0.72 0.16 0.18 2.83 0.00 -1.34 -0.63 103.07 104.99 1bvm h GLY 7 Ca 0.32 0.28 0.06 0.00 0.00 0.00 0.00 47.33 48.00 1bvm h GLY 7 CO -0.20 -0.22 -0.21 -0.33 0.00 0.00 0.00 176.54 175.58 1bvm h MET 8 N -0.10 -0.20 -1.41 4.80 2.86 -1.29 0.11 114.93 119.71 1bvm h MET 8 Ca 0.24 0.01 0.42 0.00 -2.06 0.00 0.00 59.70 58.32 1bvm h MET 8 Cb 0.48 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.09 1bvm h MET 8 CO -0.59 -0.13 0.97 0.82 1.06 0.00 0.00 176.91 179.04 1bvm h ILE 9 N -0.20 0.22 0.05 -1.22 2.04 -0.97 0.70 117.51 118.13 1bvm h ILE 9 Ca 0.14 -0.03 -0.27 0.00 1.00 0.00 0.00 64.86 65.71 1bvm h ILE 9 Cb 0.42 0.13 0.02 0.00 -0.74 0.00 0.00 36.82 36.65 1bvm h ILE 9 CO -0.38 0.02 -1.10 0.11 0.00 0.00 0.00 178.15 176.79 1bvm h LYS 10 N 0.09 0.55 -0.30 2.37 1.57 -0.55 -1.27 116.57 119.03 1bvm h LYS 10 Ca 0.75 -0.66 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1bvm h LYS 10 Cb 2.64 0.21 -0.03 0.00 0.08 0.00 0.00 32.23 35.13 1bvm h LYS 10 CO -0.20 1.27 0.11 0.00 -0.57 0.00 0.00 179.45 180.06 1bvm h LYS 12 N 0.24 0.00 -2.23 0.00 1.79 -1.46 -3.38 116.57 111.53 1bvm h LYS 12 Ca 0.13 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 58.04 1bvm h LYS 12 Cb 0.10 0.00 -0.37 0.00 -1.58 0.00 0.00 32.23 30.38 1bvm h LYS 12 CO -0.13 0.49 -0.96 -0.89 -1.08 0.00 0.00 179.45 176.88 1bvm n ILE 13 N -3.59 -1.09 0.08 1.86 5.41 -0.48 -4.95 119.36 116.59 1bvm n ILE 13 Ca -0.00 -3.32 -0.08 0.00 1.00 0.00 0.00 62.75 60.35 1bvm n ILE 13 Cb 0.57 -1.50 0.04 0.00 -0.71 0.00 0.00 39.64 38.04 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 5.42 0.25 0.00 0.38 0.13 0.15 -3.00 132.00 135.34 1bvm h PRO 14 Ca 0.23 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1bvm h PRO 14 Cb 0.92 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1bvm h PRO 14 CO 0.36 0.90 0.00 -1.13 -0.23 0.00 0.00 178.00 177.90 1bvm n SER 15 N -3.76 0.20 -4.25 1.44 3.41 -1.26 -4.70 113.62 104.70 1bvm n SER 15 Ca -0.03 0.55 -0.19 0.00 -0.26 0.00 0.00 58.87 58.94 1bvm n SER 15 Cb 0.73 -0.60 -0.11 0.00 -0.26 0.00 0.00 64.21 63.97 1bvm n SER 15 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1bvm s SER 16 N -3.38 2.12 0.02 4.04 0.15 -1.13 -5.15 113.70 110.38 1bvm s SER 16 Ca 0.05 -0.78 0.07 0.00 0.70 0.00 0.00 55.95 55.99 1bvm s SER 16 Cb 0.09 -0.09 -0.03 0.00 -1.71 0.00 0.00 66.02 64.28 1bvm s SER 16 CO 0.28 -0.09 -0.18 -1.61 1.20 0.00 0.00 173.24 172.83 1bvm s GLU 17 N -2.46 2.14 0.07 5.44 8.01 -1.26 -4.80 118.70 125.84 1bvm s GLU 17 Ca 0.08 -0.93 -0.16 0.00 0.01 0.00 0.00 54.97 53.97 1bvm s GLU 17 Cb -0.06 -2.21 -0.15 0.00 -4.31 0.00 0.00 34.13 27.40 1bvm s GLU 17 CO 0.04 0.55 1.30 -1.00 0.01 0.00 0.00 175.26 176.16 1bvm h PRO 18 N 4.73 0.65 0.00 0.39 0.13 -1.91 -0.05 132.00 135.94 1bvm h PRO 18 Ca -0.47 -0.49 -0.04 0.00 -0.87 0.00 0.00 66.00 64.14 1bvm h PRO 18 Cb 1.15 0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1bvm h PRO 18 CO 0.48 1.11 -0.18 -0.07 -0.23 0.00 0.00 178.00 179.11 1bvm h LEU 19 N 0.33 0.00 -1.84 1.56 4.07 -1.96 0.54 115.31 118.01 1bvm h LEU 19 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1bvm h LEU 19 Cb 1.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.90 1bvm h LEU 19 CO 0.11 0.18 -0.04 0.18 -1.08 0.00 0.00 178.44 177.79 1bvm n LEU 20 N -4.25 2.90 0.03 1.67 4.77 -1.18 -4.37 117.00 116.57 1bvm n LEU 20 Ca -0.02 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 1bvm n LEU 20 Cb 0.25 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1bvm n LEU 20 CO 0.36 0.49 0.00 -0.67 -1.33 0.00 0.00 177.39 176.24 1bvm n ASP 21 N 1.22 0.00 -2.04 -1.43 -0.08 -0.04 -4.87 116.55 109.30 1bvm n ASP 21 Ca 0.14 0.11 -0.18 0.00 -1.51 0.00 0.00 54.79 53.34 1bvm n ASP 21 Cb 0.59 0.07 -0.01 0.00 2.34 0.00 0.00 41.12 44.10 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 -2.73 1.26 -3.12 -0.67 3.72 0.15 -4.87 117.46 111.19 1bvm n PHE 22 Ca 0.00 -1.82 -0.43 0.00 -0.05 0.00 0.00 57.45 55.14 1bvm n PHE 22 Cb 0.00 -1.10 -0.06 0.00 -0.94 0.00 0.00 39.48 37.38 1bvm n PHE 22 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1bvm s ASN 23 N 0.58 6.26 -0.35 4.37 4.22 0.12 -4.62 114.94 125.52 1bvm s ASN 23 Ca 0.40 -0.71 -0.16 0.00 -2.14 0.00 0.00 52.86 50.25 1bvm s ASN 23 Cb 0.27 -2.31 0.02 0.00 1.28 0.00 0.00 41.25 40.51 1bvm s ASN 23 CO -0.07 -0.88 0.41 -3.20 -2.04 0.00 0.00 177.10 171.32 1bvm n ASN 24 N 6.29 -7.23 -4.27 3.54 5.15 -1.22 -4.69 115.26 112.84 1bvm n ASN 24 Ca -0.05 0.56 -0.19 0.00 -0.60 0.00 0.00 54.58 54.30 1bvm n ASN 24 Cb 0.46 -4.03 -0.10 0.00 -0.53 0.00 0.00 39.78 35.59 1bvm n ASN 24 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1bvm s TYR 25 N -1.92 1.69 0.00 1.20 6.14 0.64 -2.59 117.35 122.50 1bvm s TYR 25 Ca 0.19 -1.17 0.00 0.00 0.64 0.00 0.00 57.07 56.73 1bvm s TYR 25 Cb -0.04 -1.02 0.00 0.00 0.42 0.00 0.00 41.96 41.32 1bvm s TYR 25 CO 0.70 -0.28 0.00 0.41 0.64 0.00 0.00 175.55 177.02 1bvm n GLY 26 N -0.59 0.18 0.03 8.97 0.00 -1.20 -2.40 105.19 110.17 1bvm n GLY 26 Ca -0.01 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.09 0.00 -1.66 0.00 4.01 -1.23 -2.90 117.16 113.29 1bvm n TYR 28 Ca -0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1bvm n TYR 28 Cb 0.48 -0.64 -0.01 0.00 -0.31 0.00 0.00 39.34 38.87 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 4.09 -0.65 0.00 0.00 0.00 -1.26 0.23 105.19 107.60 1bvm n GLY 30 Ca 0.54 0.59 0.00 0.00 0.00 0.00 0.00 46.02 47.15 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 0.06 0.00 0.99 7.94 -1.26 -4.92 117.00 119.81 1bvm n LEU 31 Ca 0.00 -0.39 0.00 0.00 -1.11 0.00 0.00 56.01 54.51 1bvm n LEU 31 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1bvm n LEU 31 CO 0.00 0.01 0.00 0.61 -1.11 0.00 0.00 177.39 176.90 1bvm n GLY 32 N 0.65 2.42 0.00 -3.96 0.00 -1.26 -5.15 105.19 97.89 1bvm n GLY 32 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 1.97 3.15 -0.02 0.00 -1.14 -3.48 105.19 105.67 1bvm n GLY 33 Ca 0.00 -0.21 0.05 0.00 0.00 0.00 0.00 46.02 45.86 1bvm n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bvm s SER 34 N 0.00 -0.70 0.00 1.61 0.01 -1.26 -5.00 113.70 108.36 1bvm s SER 34 Ca 0.00 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.54 1bvm s SER 34 Cb 0.00 1.52 0.00 0.00 0.21 0.00 0.00 66.02 67.75 1bvm s SER 34 CO 0.00 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.13 1bvm n GLY 35 N 5.35 2.41 3.53 3.44 0.00 -1.26 -4.73 105.19 113.92 1bvm n GLY 35 Ca 0.00 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.48 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 -1.09 2.34 -1.28 2.61 -1.04 -1.26 -4.95 114.28 109.61 1bvm n THR 36 Ca 0.00 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.21 1bvm n THR 36 Cb 0.00 -0.84 0.21 0.00 -1.82 0.00 0.00 70.33 67.87 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 -1.98 -0.31 -0.08 -2.82 0.04 -1.26 -4.72 135.00 123.86 1bvm s PRO 37 Ca 0.66 0.05 0.09 0.00 0.04 0.00 0.00 61.00 61.83 1bvm s PRO 37 Cb -0.53 -1.69 -0.12 0.00 0.04 0.00 0.00 34.50 32.20 1bvm s PRO 37 CO 0.55 -3.13 0.06 1.33 0.04 0.00 0.00 177.00 175.85 1bvm n VAL 38 N -4.37 0.58 -3.18 -0.36 0.24 -1.26 -5.04 118.33 104.93 1bvm n VAL 38 Ca 0.11 -0.39 -0.00 0.00 -2.04 0.00 0.00 64.34 62.02 1bvm n VAL 38 Cb 0.59 -0.62 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 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 -2.29 -0.08 -0.08 -1.34 2.03 -1.26 -5.02 116.55 108.50 1bvm n ASP 39 Ca -0.14 -1.07 -0.14 0.00 0.52 0.00 0.00 54.79 53.96 1bvm n ASP 39 Cb 0.74 0.14 -0.05 0.00 -0.72 0.00 0.00 41.12 41.23 1bvm n ASP 39 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1bvm h ASP 40 N 0.08 0.77 -0.54 1.67 3.32 -1.99 -2.70 116.42 117.03 1bvm h ASP 40 Ca -0.01 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.53 1bvm h ASP 40 Cb 0.05 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 1bvm h ASP 40 CO 0.02 1.13 0.35 0.25 -1.72 0.00 0.00 179.24 179.26 1bvm h LEU 41 N 0.44 0.63 -1.18 1.55 5.85 -1.90 -1.92 115.31 118.78 1bvm h LEU 41 Ca 0.03 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1bvm h LEU 41 Cb 0.95 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 1bvm h LEU 41 CO 0.09 0.48 0.55 -0.78 -0.34 0.00 0.00 178.44 178.44 1bvm h ASP 42 N 0.74 0.95 -0.80 1.25 3.58 -1.92 -1.17 116.42 119.05 1bvm h ASP 42 Ca 0.20 -0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.71 1bvm h ASP 42 Cb -0.06 -0.23 -0.05 0.00 1.72 0.00 0.00 39.33 40.70 1bvm h ASP 42 CO -0.04 0.68 0.52 0.03 -2.88 0.00 0.00 179.24 177.55 1bvm h ARG 43 N 1.11 0.78 -0.45 0.28 2.47 -1.01 -0.86 114.38 116.71 1bvm h ARG 43 Ca 0.31 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.98 1bvm h ARG 43 Cb -0.09 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.03 1bvm h ARG 43 CO -0.07 0.52 0.27 0.00 0.56 0.00 0.00 179.97 181.24 1bvm h GLN 46 N 0.83 0.51 0.00 0.00 4.15 -0.84 0.12 115.11 119.88 1bvm h GLN 46 Ca 0.16 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.47 1bvm h GLN 46 Cb 0.49 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1bvm h GLN 46 CO 0.02 0.34 -0.36 1.15 -1.93 0.00 0.00 178.83 178.04 1bvm h THR 47 N 0.52 1.26 0.17 2.39 2.02 -1.08 -2.11 112.91 116.09 1bvm h THR 47 Ca 0.29 -1.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.21 1bvm h THR 47 Cb 0.28 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1bvm h THR 47 CO -0.24 0.36 -0.08 -0.74 0.37 0.00 0.00 175.52 175.19 1bvm h HIS 48 N 0.00 -0.22 -0.50 3.16 -0.00 0.34 0.08 115.15 118.01 1bvm h HIS 48 Ca -0.00 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.38 1bvm h HIS 48 Cb 0.65 0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 28.09 1bvm h HIS 48 CO 0.00 0.02 0.30 -0.44 -0.00 0.00 0.00 177.93 177.81 1bvm h ASP 49 N -0.42 0.50 0.04 3.26 3.32 -1.06 -0.54 116.42 121.51 1bvm h ASP 49 Ca -0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1bvm h ASP 49 Cb 0.33 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1bvm h ASP 49 CO 0.04 0.35 -0.03 0.78 -1.72 0.00 0.00 179.24 178.66 1bvm h ASN 50 N 0.61 0.00 -0.19 6.45 2.35 -1.20 -2.06 115.58 121.54 1bvm h ASN 50 Ca 0.20 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.75 1bvm h ASN 50 Cb 0.01 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.39 1bvm h ASN 50 CO -0.09 0.03 -0.67 0.00 -1.65 0.00 0.00 177.43 175.06 1bvm h TYR 52 N 0.52 0.00 0.01 0.00 -1.99 -0.66 -0.56 116.97 114.29 1bvm h TYR 52 Ca -0.03 0.00 -0.00 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 0.09 0.14 -0.00 0.87 -0.00 0.00 0.00 178.16 179.26 1bvm h LYS 53 N 0.00 -0.01 -0.87 4.88 1.79 -1.32 -2.84 116.57 118.21 1bvm h LYS 53 Ca -0.00 0.00 0.20 0.00 -2.18 0.00 0.00 60.65 58.67 1bvm h LYS 53 Cb 0.34 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.93 1bvm h LYS 53 CO 0.02 0.71 0.58 1.96 -1.08 0.00 0.00 179.45 181.64 1bvm h GLN 54 N -0.98 0.35 -0.09 3.15 4.20 -1.06 0.45 115.11 121.12 1bvm h GLN 54 Ca -0.00 -0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.56 1bvm h GLN 54 Cb 0.73 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1bvm h GLN 54 CO 0.00 0.23 -0.52 0.00 -0.67 0.00 0.00 178.83 177.87 1bvm h ALA 55 N 1.61 0.94 -0.05 3.87 0.00 -1.13 -2.68 119.26 121.82 1bvm h ALA 55 Ca 0.44 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1bvm h ALA 55 Cb 1.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1bvm h ALA 55 CO -0.15 0.67 -0.01 0.87 0.00 0.00 0.00 179.25 180.63 1bvm h LYS 56 N 0.20 0.10 -0.37 0.00 1.57 0.13 -2.94 116.57 115.27 1bvm h LYS 56 Ca 0.01 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1bvm h LYS 56 Cb 0.99 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1bvm h LYS 56 CO 0.08 0.44 0.25 0.87 -0.57 0.00 0.00 179.45 180.52 1bvm h LYS 57 N -0.25 0.34 -6.30 3.15 1.57 -1.32 -3.30 116.57 110.46 1bvm h LYS 57 Ca 0.01 -0.02 -0.63 0.00 -1.87 0.00 0.00 60.65 58.14 1bvm h LYS 57 Cb 0.41 -0.08 0.11 0.00 0.08 0.00 0.00 32.23 32.75 1bvm h LYS 57 CO 0.01 0.22 -0.09 1.28 -0.57 0.00 0.00 179.45 180.30 1bvm n LEU 58 N -4.48 0.72 0.51 2.94 4.77 -1.02 -4.68 117.00 115.77 1bvm n LEU 58 Ca 0.04 1.16 -0.20 0.00 -0.03 0.00 0.00 56.01 56.98 1bvm n LEU 58 Cb 0.18 -1.17 -0.10 0.00 -2.33 0.00 0.00 43.42 40.01 1bvm n LEU 58 CO 0.35 -1.94 0.53 -0.78 -1.33 0.00 0.00 177.39 174.22 1bvm h ASP 59 N 1.73 -1.09 -0.95 -1.43 3.58 -1.88 0.27 116.42 116.64 1bvm h ASP 59 Ca -0.36 0.04 0.30 0.00 0.42 0.00 0.00 57.03 57.43 1bvm h ASP 59 Cb 1.38 0.28 -0.16 0.00 1.72 0.00 0.00 39.33 42.55 1bvm h ASP 59 CO 0.60 -0.77 0.29 -1.28 -2.88 0.00 0.00 179.24 175.20 1bvm h SER 60 N -1.32 0.01 0.20 2.28 0.87 -1.93 0.87 113.55 114.52 1bvm h SER 60 Ca -0.13 0.23 -0.20 0.00 -1.23 0.00 0.00 61.79 60.46 1bvm h SER 60 Cb 0.99 0.31 -0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1bvm h SER 60 CO 0.22 -0.27 -0.77 0.00 -0.53 0.00 0.00 176.83 175.48 1bvm h LYS 62 N 0.31 0.00 -0.72 0.00 1.57 0.43 -2.15 116.57 116.02 1bvm h LYS 62 Ca -0.04 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 1bvm h LYS 62 Cb 1.36 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.64 1bvm h LYS 62 CO 0.14 0.27 0.07 1.33 -0.57 0.00 0.00 179.45 180.68 1bvm n VAL 63 N -4.09 2.25 0.00 0.50 0.24 0.40 -4.35 118.33 113.28 1bvm n VAL 63 Ca -0.02 -1.15 0.00 0.00 -2.04 0.00 0.00 64.34 61.13 1bvm n VAL 63 Cb 0.33 -0.36 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 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 0.32 0.00 -0.67 1.34 4.77 -0.81 -4.99 117.00 116.96 1bvm n LEU 64 Ca 0.25 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.22 1bvm n LEU 64 Cb 1.05 -0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 42.07 1bvm n LEU 64 CO 0.29 -0.26 0.25 0.52 -1.33 0.00 0.00 177.39 176.85 1bvm n VAL 65 N -1.84 0.00 -4.09 4.08 0.31 -1.22 -5.01 118.33 110.55 1bvm n VAL 65 Ca 0.00 -0.10 -0.31 0.00 -0.01 0.00 0.00 64.34 63.92 1bvm n VAL 65 Cb 0.00 0.32 -0.06 0.00 -0.91 0.00 0.00 33.84 33.19 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 0.05 -0.31 0.00 4.52 2.03 -1.19 -4.85 116.55 116.80 1bvm n ASP 66 Ca -0.04 -1.14 0.00 0.00 0.52 0.00 0.00 54.79 54.13 1bvm n ASP 66 Cb 0.65 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 1bvm n ASP 66 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1bvm n ASN 67 N -2.32 0.00 0.21 1.67 2.85 -1.26 -5.01 115.26 111.40 1bvm n ASN 67 Ca -0.24 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.32 1bvm n ASN 67 Cb 0.59 0.00 0.39 0.00 1.24 0.00 0.00 39.78 42.00 1bvm n ASN 67 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1bvm h PRO 68 N 0.00 0.00 0.57 1.20 0.13 -1.89 -3.28 132.00 128.74 1bvm h PRO 68 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1bvm h PRO 68 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1bvm h PRO 68 CO 0.00 0.25 -0.34 1.88 -0.23 0.00 0.00 178.00 179.56 1bvm h TYR 69 N 0.00 -0.89 -0.20 1.56 0.05 -1.95 -1.64 116.97 113.90 1bvm h TYR 69 Ca -0.00 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.83 1bvm h TYR 69 Cb 0.84 0.31 -0.01 0.00 1.01 0.00 0.00 36.73 38.89 1bvm h TYR 69 CO 0.00 -0.51 0.38 1.79 -1.05 0.00 0.00 178.16 178.77 1bvm h THR 70 N -0.85 0.20 -3.39 -2.88 1.35 -1.96 -3.40 112.91 101.98 1bvm h THR 70 Ca -0.08 0.00 -0.53 0.00 -0.55 0.00 0.00 66.41 65.25 1bvm h THR 70 Cb 0.67 0.67 -0.01 0.00 -1.73 0.00 0.00 68.15 67.74 1bvm h THR 70 CO 0.09 0.00 0.41 0.21 -0.25 0.00 0.00 175.52 175.98 1bvm s ASN 71 N -4.90 7.32 -0.45 5.36 3.04 -0.62 -5.01 114.94 119.68 1bvm s ASN 71 Ca -0.04 1.78 0.01 0.00 0.04 0.00 0.00 52.86 54.64 1bvm s ASN 71 Cb 0.12 -2.58 0.12 0.00 -1.54 0.00 0.00 41.25 37.38 1bvm s ASN 71 CO 0.42 -0.28 0.21 0.20 -3.04 0.00 0.00 177.10 174.61 1bvm s ASN 72 N 0.82 4.92 0.64 -4.21 0.01 -1.26 -4.34 114.94 111.52 1bvm s ASN 72 Ca 0.53 -2.41 -0.13 0.00 -0.71 0.00 0.00 52.86 50.13 1bvm s ASN 72 Cb -0.24 -1.74 -0.02 0.00 0.41 0.00 0.00 41.25 39.67 1bvm s ASN 72 CO 0.29 -0.40 1.06 -0.72 -1.51 0.00 0.00 177.10 175.81 1bvm s TYR 73 N 0.57 3.05 0.27 2.20 -0.85 -1.26 -4.88 117.35 116.45 1bvm s TYR 73 Ca 0.12 1.47 0.06 0.00 -0.52 0.00 0.00 57.07 58.20 1bvm s TYR 73 Cb -0.22 -2.94 -0.03 0.00 0.38 0.00 0.00 41.96 39.15 1bvm s TYR 73 CO -0.04 -1.15 0.35 0.45 -1.52 0.00 0.00 175.55 173.63 1bvm s SER 74 N -3.25 6.00 0.11 -0.18 0.15 -1.26 -4.70 113.70 110.56 1bvm s SER 74 Ca 0.61 -0.10 -0.11 0.00 0.70 0.00 0.00 55.95 57.05 1bvm s SER 74 Cb -0.15 -1.54 0.04 0.00 -1.71 0.00 0.00 66.02 62.66 1bvm s SER 74 CO 0.45 -0.18 0.54 0.00 1.20 0.00 0.00 173.24 175.25 1bvm n TYR 75 N -1.42 -1.06 -3.95 3.44 4.11 -1.26 -3.03 117.16 113.99 1bvm n TYR 75 Ca -0.06 -0.71 -0.09 0.00 -0.00 0.00 0.00 57.90 57.04 1bvm n TYR 75 Cb 0.58 0.35 -0.03 0.00 -0.00 0.00 0.00 39.34 40.23 1bvm n TYR 75 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 1bvm s SER 76 N -2.28 -0.01 0.26 9.48 0.01 0.63 -4.88 113.70 116.91 1bvm s SER 76 Ca 0.12 -0.94 0.04 0.00 1.31 0.00 0.00 55.95 56.48 1bvm s SER 76 Cb -0.02 0.66 -0.06 0.00 0.21 0.00 0.00 66.02 66.82 1bvm s SER 76 CO 0.03 -1.27 -0.01 0.00 0.41 0.00 0.00 173.24 172.40 1bvm n SER 78 N -0.51 0.00 -4.25 0.00 2.88 -0.78 -4.88 113.62 106.09 1bvm n SER 78 Ca -0.05 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.19 1bvm n SER 78 Cb 0.64 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.57 -4.36 -3.46 3.02 -1.26 0.15 115.26 109.93 1bvm n ASN 79 Ca 0.00 -1.22 -0.39 0.00 -0.03 0.00 0.00 54.58 52.94 1bvm n ASN 79 Cb 0.00 -1.90 -0.05 0.00 -0.61 0.00 0.00 39.78 37.22 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 -2.89 -2.68 -4.18 6.41 5.03 -1.26 -4.90 115.26 110.79 1bvm n ASN 80 Ca -0.31 -1.11 -0.13 0.00 0.87 0.00 0.00 54.58 53.91 1bvm n ASN 80 Cb 0.69 -2.28 -0.10 0.00 -1.02 0.00 0.00 39.78 37.07 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 -7.07 0.85 -0.14 3.52 2.02 0.40 -4.56 118.70 113.73 1bvm s GLU 81 Ca 0.78 -1.25 -0.07 0.00 0.02 0.00 0.00 54.97 54.45 1bvm s GLU 81 Cb -0.44 -0.38 -0.04 0.00 0.10 0.00 0.00 34.13 33.37 1bvm s GLU 81 CO 0.97 0.03 0.11 0.42 0.02 0.00 0.00 175.26 176.81 1bvm s ILE 82 N -3.02 5.21 -0.18 -1.63 1.01 -1.26 -1.86 121.20 119.47 1bvm s ILE 82 Ca 0.09 0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.82 1bvm s ILE 82 Cb 0.01 -3.30 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 1bvm s ILE 82 CO -0.02 0.55 -0.07 -0.89 0.00 0.00 0.00 174.94 174.51 1bvm s THR 83 N -0.47 3.32 -0.19 2.92 2.01 0.58 -4.93 115.64 118.89 1bvm s THR 83 Ca 0.11 -0.54 -0.04 0.00 0.31 0.00 0.00 61.69 61.54 1bvm s THR 83 Cb -0.12 -2.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 1bvm s THR 83 CO 0.02 0.47 -0.04 0.00 -0.69 0.00 0.00 174.62 174.38 1bvm n SER 85 N 4.19 0.87 0.15 0.00 7.64 -1.17 -4.83 113.62 120.48 1bvm n SER 85 Ca -0.18 1.14 0.01 0.00 1.01 0.00 0.00 58.87 60.85 1bvm n SER 85 Cb 0.52 -1.10 0.22 0.00 -1.01 0.00 0.00 64.21 62.83 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 3.52 0.00 -0.09 6.43 4.64 -1.97 -2.84 113.55 123.24 1bvm h SER 86 Ca -0.46 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.89 1bvm h SER 86 Cb 1.37 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1bvm h SER 86 CO 0.70 0.54 0.21 -0.33 -0.87 0.00 0.00 176.83 177.09 1bvm h GLU 87 N 0.00 0.00 -5.84 4.77 5.08 -2.00 -3.41 114.58 113.17 1bvm h GLU 87 Ca -0.01 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.70 1bvm h GLU 87 Cb 1.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1bvm h GLU 87 CO 0.07 0.00 1.46 0.09 -1.00 0.00 0.00 179.01 179.63 1bvm n ASN 88 N -3.31 1.64 -3.12 1.42 3.02 -1.08 -4.90 115.26 108.94 1bvm n ASN 88 Ca -0.00 0.36 -0.16 0.00 -0.03 0.00 0.00 54.58 54.75 1bvm n ASN 88 Cb 0.30 -1.17 0.16 0.00 -0.61 0.00 0.00 39.78 38.45 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 9.95 -3.17 -0.33 6.41 0.23 -1.26 -3.55 115.26 123.54 1bvm n ASN 89 Ca 0.47 -0.47 0.26 0.00 -0.53 0.00 0.00 54.58 54.31 1bvm n ASN 89 Cb 0.18 -0.53 0.55 0.00 -2.08 0.00 0.00 39.78 37.90 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 -2.88 2.40 0.03 -2.53 0.00 -1.97 0.36 119.26 114.67 1bvm h ALA 90 Ca -0.21 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1bvm h ALA 90 Cb 0.71 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1bvm h ALA 90 CO 0.13 -0.81 -0.02 0.00 0.00 0.00 0.00 179.25 178.55 1bvm h GLU 92 N -0.98 0.26 -0.07 0.00 5.08 -1.64 -1.09 114.58 116.13 1bvm h GLU 92 Ca -0.00 -0.02 -0.25 0.00 -1.00 0.00 0.00 59.36 58.09 1bvm h GLU 92 Cb 0.49 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 29.70 1bvm h GLU 92 CO 0.01 0.17 -0.92 0.00 -1.00 0.00 0.00 179.01 177.27 1bvm h ALA 93 N 1.75 0.23 -0.64 3.43 0.00 -0.35 -2.54 119.26 121.14 1bvm h ALA 93 Ca 0.22 -0.65 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 1bvm h ALA 93 Cb 0.53 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1bvm h ALA 93 CO -0.05 0.69 0.07 0.35 0.00 0.00 0.00 179.25 180.31 1bvm h PHE 94 N 0.45 1.16 -0.30 0.00 3.04 -0.70 -2.46 116.94 118.14 1bvm h PHE 94 Ca -0.09 -0.18 -0.04 0.00 3.98 0.00 0.00 57.97 61.64 1bvm h PHE 94 Cb 1.56 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 39.74 1bvm h PHE 94 CO 0.09 0.99 0.02 0.82 -2.02 0.00 0.00 178.31 178.22 1bvm h ILE 95 N 0.99 1.25 -0.20 1.41 2.04 -1.28 -2.50 117.51 119.22 1bvm h ILE 95 Ca 0.19 -0.88 0.04 0.00 1.00 0.00 0.00 64.86 65.22 1bvm h ILE 95 Cb 0.48 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1bvm h ILE 95 CO 0.02 0.28 0.14 0.00 0.00 0.00 0.00 178.15 178.60 1bvm h ASN 97 N 0.09 0.37 -0.05 0.00 2.35 -1.02 -1.16 115.58 116.16 1bvm h ASN 97 Ca 0.09 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1bvm h ASN 97 Cb 0.26 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 1bvm h ASN 97 CO -0.01 0.87 -0.02 0.00 -1.65 0.00 0.00 177.43 176.62 1bvm h ASP 99 N -0.27 0.95 -0.04 0.00 5.19 -1.46 -2.54 116.42 118.25 1bvm h ASP 99 Ca 0.01 -0.28 -0.03 0.00 -0.62 0.00 0.00 57.03 56.11 1bvm h ASP 99 Cb 0.44 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.70 1bvm h ASP 99 CO 0.01 1.04 -0.10 -0.09 -3.12 0.00 0.00 179.24 176.97 1bvm h ARG 100 N 0.88 0.13 -0.35 3.56 2.43 -1.17 -2.42 114.38 117.44 1bvm h ARG 100 Ca 0.15 -0.09 0.10 0.00 -0.81 0.00 0.00 59.98 59.33 1bvm h ARG 100 Cb 0.58 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1bvm h ARG 100 CO 0.04 0.70 0.29 -0.91 -1.51 0.00 0.00 179.97 178.58 1bvm h ASN 101 N -0.41 0.00 0.01 -3.80 4.21 -0.32 0.86 115.58 116.14 1bvm h ASN 101 Ca -0.00 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.51 1bvm h ASN 101 Cb 0.70 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.90 1bvm h ASN 101 CO 0.02 0.00 -0.01 0.00 -1.29 0.00 0.00 177.43 176.16 1bvm h ALA 102 N 1.74 -0.02 -0.85 -0.83 0.00 -1.35 -2.40 119.26 115.55 1bvm h ALA 102 Ca 0.16 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1bvm h ALA 102 Cb 0.75 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1bvm h ALA 102 CO -0.00 -0.08 0.54 0.00 0.00 0.00 0.00 179.25 179.71 1bvm h ALA 103 N 0.04 1.08 -0.43 0.00 0.00 -0.86 -1.63 119.26 117.46 1bvm h ALA 103 Ca -0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1bvm h ALA 103 Cb 0.79 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1bvm h ALA 103 CO 0.00 0.52 0.04 0.82 0.00 0.00 0.00 179.25 180.63 1bvm h ILE 104 N 1.16 1.22 -0.31 0.00 2.04 -0.94 -2.74 117.51 117.94 1bvm h ILE 104 Ca 0.31 -0.85 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 1bvm h ILE 104 Cb -0.09 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1bvm h ILE 104 CO -0.06 0.30 0.03 0.00 0.00 0.00 0.00 178.15 178.42 1bvm h PHE 106 N 0.35 0.64 0.00 0.00 -1.00 -1.04 1.54 116.94 117.44 1bvm h PHE 106 Ca 0.09 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.89 1bvm h PHE 106 Cb 0.38 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 39.74 1bvm h PHE 106 CO 0.03 0.19 -0.52 -1.13 -1.61 0.00 0.00 178.31 175.27 1bvm n SER 107 N -4.54 0.66 0.01 2.17 3.41 -0.94 -3.73 113.62 110.66 1bvm n SER 107 Ca 0.19 0.15 0.10 0.00 -0.26 0.00 0.00 58.87 59.05 1bvm n SER 107 Cb 0.62 0.03 -0.14 0.00 -0.26 0.00 0.00 64.21 64.46 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 -2.04 0.65 -4.27 4.33 5.02 0.18 -4.94 118.16 117.09 1bvm n LYS 108 Ca 0.04 -0.14 -0.28 0.00 -2.02 0.00 0.00 58.31 55.91 1bvm n LYS 108 Cb 0.42 -1.57 -0.10 0.00 -0.02 0.00 0.00 35.03 33.76 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 -3.46 3.18 0.92 -0.18 -7.23 0.47 -5.04 120.40 109.06 1bvm s VAL 109 Ca -0.07 -1.50 -0.12 0.00 -1.81 0.00 0.00 61.98 58.48 1bvm s VAL 109 Cb 0.13 -2.53 0.14 0.00 0.56 0.00 0.00 36.38 34.69 1bvm s VAL 109 CO 0.89 0.00 1.13 -2.16 -0.31 0.00 0.00 175.10 174.65 1bvm s PRO 110 N -2.50 1.08 -0.06 4.82 0.04 -1.26 -4.73 135.00 132.39 1bvm s PRO 110 Ca 0.22 0.32 0.03 0.00 0.04 0.00 0.00 61.00 61.62 1bvm s PRO 110 Cb -0.10 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1bvm s PRO 110 CO 0.14 -2.24 -0.16 -0.47 0.04 0.00 0.00 177.00 174.30 1bvm s TYR 111 N -3.24 1.75 -0.40 0.56 5.04 -1.26 -4.02 117.35 115.77 1bvm s TYR 111 Ca 0.64 -0.61 -0.05 0.00 -2.44 0.00 0.00 57.07 54.61 1bvm s TYR 111 Cb -0.15 -1.21 0.09 0.00 0.35 0.00 0.00 41.96 41.04 1bvm s TYR 111 CO 0.54 -0.26 0.20 -0.80 -1.34 0.00 0.00 175.55 173.89 1bvm s ASN 112 N 0.37 5.35 0.54 4.32 0.01 -1.26 -4.94 114.94 119.33 1bvm s ASN 112 Ca -0.11 -1.75 0.27 0.00 -0.71 0.00 0.00 52.86 50.56 1bvm s ASN 112 Cb -0.15 -1.87 1.44 0.00 0.41 0.00 0.00 41.25 41.08 1bvm s ASN 112 CO 0.04 -0.51 1.97 0.50 -1.51 0.00 0.00 177.10 177.59 1bvm h LYS 113 N 8.18 0.00 -0.40 -0.60 3.64 -1.98 0.14 116.57 125.56 1bvm h LYS 113 Ca -0.18 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 1bvm h LYS 113 Cb 1.06 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1bvm h LYS 113 CO 0.71 0.00 0.17 1.49 -2.27 0.00 0.00 179.45 179.55 1bvm h GLU 114 N 0.00 0.55 -0.03 1.90 4.81 -2.04 0.19 114.58 119.97 1bvm h GLU 114 Ca 0.26 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1bvm h GLU 114 Cb 1.11 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1bvm h GLU 114 CO -0.00 0.45 0.00 0.72 -0.73 0.00 0.00 179.01 179.45 1bvm n HIS 115 N -4.39 0.03 -2.02 0.92 8.25 0.49 -4.83 115.22 113.66 1bvm n HIS 115 Ca 0.03 -0.02 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 1bvm n HIS 115 Cb 0.13 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.22 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 -1.97 4.27 -1.28 -0.41 2.20 0.05 -3.11 119.74 119.49 1bvm s LYS 116 Ca 0.36 2.28 -0.10 0.00 -0.36 0.00 0.00 55.97 58.15 1bvm s LYS 116 Cb 0.17 -3.13 -0.00 0.00 -1.51 0.00 0.00 37.83 33.37 1bvm s LYS 116 CO 0.29 -0.43 0.59 0.09 -0.36 0.00 0.00 175.35 175.52 1bvm n ASN 117 N 2.66 -2.54 -4.66 1.43 5.03 -1.07 -4.94 115.26 111.17 1bvm n ASN 117 Ca 0.08 -1.02 -0.28 0.00 0.87 0.00 0.00 54.58 54.23 1bvm n ASN 117 Cb 0.40 -3.13 0.12 0.00 -1.02 0.00 0.00 39.78 36.14 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 -6.79 2.68 -0.12 3.41 2.96 -1.18 -5.04 118.68 114.60 1bvm s LEU 118 Ca 0.22 0.46 -0.14 0.00 -0.22 0.00 0.00 54.13 54.44 1bvm s LEU 118 Cb -0.08 -2.84 -0.05 0.00 0.50 0.00 0.00 46.19 43.72 1bvm s LEU 118 CO 0.88 -2.08 0.34 -0.62 -1.32 0.00 0.00 176.35 173.55 1bvm s ASP 119 N -4.67 6.55 0.08 3.68 -1.08 -1.26 -4.94 116.67 115.03 1bvm s ASP 119 Ca 0.65 0.65 0.08 0.00 -0.52 0.00 0.00 52.55 53.42 1bvm s ASP 119 Cb -0.08 -2.20 0.40 0.00 -1.46 0.00 0.00 42.92 39.57 1bvm s ASP 119 CO 0.49 0.15 1.26 0.29 0.52 0.00 0.00 175.17 177.88 1bvm n LYS 120 N 3.09 0.04 0.08 4.34 5.02 -1.26 -2.06 118.16 127.40 1bvm n LYS 120 Ca -0.12 0.48 0.06 0.00 -2.02 0.00 0.00 58.31 56.71 1bvm n LYS 120 Cb 0.52 -1.61 0.32 0.00 -0.02 0.00 0.00 35.03 34.24 1bvm n LYS 120 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1bvm n LYS 121 N -1.69 0.08 0.00 1.97 5.02 -1.26 0.49 118.16 122.77 1bvm n LYS 121 Ca 0.01 0.51 0.11 0.00 -2.02 0.00 0.00 58.31 56.92 1bvm n LYS 121 Cb 0.05 -1.72 0.05 0.00 -0.02 0.00 0.00 35.03 33.39 1bvm n LYS 121 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1bvm n ASN 122 N -1.87 0.72 -0.90 4.39 3.02 -0.88 -5.22 115.26 114.52 1bvm n ASN 122 Ca 0.00 -0.55 0.11 0.00 -0.03 0.00 0.00 54.58 54.11 1bvm n ASN 122 Cb 0.06 0.68 0.09 0.00 -0.61 0.00 0.00 39.78 40.01 1bvm n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64