#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 2.27 0.28 0.00 0.00 -1.26 -4.55 117.00 113.74 1bvm n LEU 2 Ca 0.00 -0.03 0.19 0.00 0.00 0.00 0.00 56.01 56.17 1bvm n LEU 2 Cb 0.00 -0.16 0.99 0.00 0.00 0.00 0.00 43.42 44.25 1bvm n LEU 2 CO 0.00 0.51 1.07 4.11 0.00 0.00 0.00 177.39 183.07 1bvm h TRP 3 N 0.00 0.00 -0.59 1.96 5.08 -2.05 -2.32 115.95 118.02 1bvm h TRP 3 Ca -0.16 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 59.74 1bvm h TRP 3 Cb 1.27 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.41 1bvm h TRP 3 CO 0.01 0.00 0.11 1.96 -1.28 0.00 0.00 178.44 179.23 1bvm h GLN 4 N 0.00 0.98 0.39 0.12 1.08 -2.00 -2.56 115.11 113.11 1bvm h GLN 4 Ca 0.00 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 56.92 1bvm h GLN 4 Cb 0.06 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1bvm h GLN 4 CO 0.00 0.92 -0.21 0.35 -0.95 0.00 0.00 178.83 178.94 1bvm h PHE 5 N 0.88 -0.55 -0.25 2.96 3.57 -1.70 -2.07 116.94 119.78 1bvm h PHE 5 Ca 0.18 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.74 1bvm h PHE 5 Cb 0.41 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1bvm h PHE 5 CO 0.03 -0.32 0.51 -0.91 -2.23 0.00 0.00 178.31 175.39 1bvm h ASN 6 N -0.55 0.00 -0.26 0.41 4.21 -1.68 0.10 115.58 117.82 1bvm h ASN 6 Ca -0.05 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.38 1bvm h ASN 6 Cb 0.43 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.62 1bvm h ASN 6 CO 0.07 0.00 -0.14 1.23 -1.29 0.00 0.00 177.43 177.30 1bvm h GLY 7 N 0.00 0.60 0.90 2.83 0.00 -0.94 -1.75 103.07 104.70 1bvm h GLY 7 Ca 0.12 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1bvm h GLY 7 CO -0.00 0.50 0.09 -0.33 0.00 0.00 0.00 176.54 176.80 1bvm h MET 8 N 0.28 0.31 -0.24 4.80 2.86 -0.45 -2.54 114.93 119.96 1bvm h MET 8 Ca 0.06 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1bvm h MET 8 Cb 0.66 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 1bvm h MET 8 CO 0.04 0.37 0.06 0.82 1.06 0.00 0.00 176.91 179.25 1bvm h ILE 9 N 0.19 1.12 -0.04 -1.22 2.04 -1.52 -1.69 117.51 116.40 1bvm h ILE 9 Ca 0.07 -0.41 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 1bvm h ILE 9 Cb 0.17 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1bvm h ILE 9 CO -0.01 0.15 -0.31 0.11 0.00 0.00 0.00 178.15 178.09 1bvm h LYS 10 N 0.33 0.07 0.24 2.37 1.79 -0.91 -1.58 116.57 118.88 1bvm h LYS 10 Ca 0.08 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1bvm h LYS 10 Cb 0.14 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1bvm h LYS 10 CO -0.00 0.38 -0.11 0.00 -1.08 0.00 0.00 179.45 178.63 1bvm h LYS 12 N -0.58 0.24 -2.47 0.00 1.79 -1.46 -3.35 116.57 110.74 1bvm h LYS 12 Ca -0.03 -0.05 -0.59 0.00 -2.18 0.00 0.00 60.65 57.80 1bvm h LYS 12 Cb 0.42 -0.04 -0.39 0.00 -1.58 0.00 0.00 32.23 30.65 1bvm h LYS 12 CO 0.05 0.33 -0.92 0.42 -1.08 0.00 0.00 179.45 178.25 1bvm s ILE 13 N -4.83 0.50 -0.25 1.86 1.01 -0.61 -4.94 121.20 113.94 1bvm s ILE 13 Ca -0.06 -2.59 0.25 0.00 0.00 0.00 0.00 60.65 58.25 1bvm s ILE 13 Cb 0.16 -1.36 0.32 0.00 0.01 0.00 0.00 42.46 41.59 1bvm s ILE 13 CO 0.72 -1.17 1.70 1.55 0.00 0.00 0.00 174.94 177.74 1bvm h PRO 14 N 5.90 0.00 0.00 2.79 0.13 -0.98 -3.10 132.00 136.74 1bvm h PRO 14 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1bvm h PRO 14 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1bvm h PRO 14 CO 0.38 0.06 0.00 -1.13 -0.23 0.00 0.00 178.00 177.08 1bvm n SER 15 N -3.13 0.11 -4.22 1.44 3.41 -1.26 -4.79 113.62 105.19 1bvm n SER 15 Ca 0.03 0.51 -0.23 0.00 -0.26 0.00 0.00 58.87 58.92 1bvm n SER 15 Cb 0.49 -0.54 -0.13 0.00 -0.26 0.00 0.00 64.21 63.77 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 -3.22 2.16 -0.21 4.04 0.15 -1.17 -5.12 113.70 110.33 1bvm s SER 16 Ca 0.13 -0.54 -0.12 0.00 0.70 0.00 0.00 55.95 56.12 1bvm s SER 16 Cb 0.18 -0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 64.30 1bvm s SER 16 CO 0.54 0.08 0.23 -1.61 1.20 0.00 0.00 173.24 173.67 1bvm s GLU 17 N -1.36 4.14 0.15 5.44 8.01 -1.26 -4.87 118.70 128.95 1bvm s GLU 17 Ca 0.05 -0.10 -0.06 0.00 0.01 0.00 0.00 54.97 54.86 1bvm s GLU 17 Cb -0.09 -3.51 -0.00 0.00 -4.31 0.00 0.00 34.13 26.22 1bvm s GLU 17 CO 0.02 0.10 1.41 -1.00 0.01 0.00 0.00 175.26 175.80 1bvm h PRO 18 N 7.24 0.60 0.00 0.39 0.13 -1.91 -2.06 132.00 136.40 1bvm h PRO 18 Ca -0.38 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.30 1bvm h PRO 18 Cb 1.16 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1bvm h PRO 18 CO 0.70 1.07 0.00 1.47 -0.23 0.00 0.00 178.00 181.01 1bvm n LEU 19 N -3.91 0.00 -0.09 1.56 -0.00 -1.26 -0.61 117.00 112.69 1bvm n LEU 19 Ca -0.05 0.30 0.01 0.00 -0.00 0.00 0.00 56.01 56.27 1bvm n LEU 19 Cb 0.69 -0.30 0.01 0.00 -0.00 0.00 0.00 43.42 43.82 1bvm n LEU 19 CO 0.49 -0.11 0.22 0.18 -0.00 0.00 0.00 177.39 178.18 1bvm n LEU 20 N -1.30 0.98 0.02 1.47 4.77 -1.08 -4.61 117.00 117.26 1bvm n LEU 20 Ca 0.09 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 1bvm n LEU 20 Cb 0.15 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1bvm n LEU 20 CO 0.15 0.22 0.00 0.47 -1.33 0.00 0.00 177.39 176.90 1bvm n ASP 21 N -0.13 0.02 0.00 -1.43 8.00 -0.80 -4.82 116.55 117.39 1bvm n ASP 21 Ca 0.01 0.07 0.05 0.00 0.71 0.00 0.00 54.79 55.63 1bvm n ASP 21 Cb 0.07 0.04 0.24 0.00 -0.02 0.00 0.00 41.12 41.45 1bvm n ASP 21 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1bvm n PHE 22 N -2.66 0.00 -1.92 1.24 3.72 -0.80 -4.75 117.46 112.28 1bvm n PHE 22 Ca 0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 1bvm n PHE 22 Cb 0.00 -0.44 0.00 0.00 -0.94 0.00 0.00 39.48 38.10 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 -2.89 6.26 -0.07 4.37 4.22 0.22 -4.04 114.94 123.02 1bvm s ASN 23 Ca 0.06 2.85 -0.07 0.00 -2.14 0.00 0.00 52.86 53.57 1bvm s ASN 23 Cb 0.07 -2.65 0.01 0.00 1.28 0.00 0.00 41.25 39.96 1bvm s ASN 23 CO 0.18 -0.91 0.11 0.59 -2.04 0.00 0.00 177.10 175.04 1bvm n ASN 24 N 0.23 -5.63 -3.82 3.54 3.02 -1.24 -4.73 115.26 106.63 1bvm n ASN 24 Ca 0.03 0.26 -0.09 0.00 -0.03 0.00 0.00 54.58 54.74 1bvm n ASN 24 Cb 0.41 -1.39 -0.06 0.00 -0.61 0.00 0.00 39.78 38.13 1bvm n ASN 24 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bvm s TYR 25 N -0.96 0.12 0.00 3.10 6.14 0.66 -2.68 117.35 123.73 1bvm s TYR 25 Ca 0.06 -0.49 0.00 0.00 0.64 0.00 0.00 57.07 57.29 1bvm s TYR 25 Cb -0.01 0.08 0.00 0.00 0.42 0.00 0.00 41.96 42.45 1bvm s TYR 25 CO 0.14 -0.69 0.00 0.41 0.64 0.00 0.00 175.55 176.05 1bvm n GLY 26 N -0.19 0.21 0.09 8.97 0.00 -1.24 -2.63 105.19 110.40 1bvm n GLY 26 Ca -0.12 -0.53 -0.03 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.06 0.20 -1.53 0.00 4.01 -1.25 -2.81 117.16 112.71 1bvm n TYR 28 Ca -0.09 0.09 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 1bvm n TYR 28 Cb 0.91 -0.86 -0.15 0.00 -0.31 0.00 0.00 39.34 38.93 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 6.15 4.49 0.18 0.00 0.00 -1.26 0.24 105.19 114.98 1bvm n GLY 30 Ca 0.57 -1.32 -0.07 0.00 0.00 0.00 0.00 46.02 45.20 1bvm n GLY 30 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bvm h LEU 31 N 0.00 -0.47 0.00 0.99 6.46 -1.95 -3.43 115.31 116.91 1bvm h LEU 31 Ca 0.00 0.03 -0.32 0.00 -0.12 0.00 0.00 57.88 57.48 1bvm h LEU 31 Cb 0.00 0.15 0.17 0.00 -0.73 0.00 0.00 40.66 40.24 1bvm h LEU 31 CO 0.00 -0.25 0.00 0.61 -0.62 0.00 0.00 178.44 178.19 1bvm n GLY 32 N -1.21 -3.18 0.00 3.75 0.00 -1.26 -4.94 105.19 98.35 1bvm n GLY 32 Ca -0.05 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -3.99 1.10 0.00 -0.02 0.00 -1.26 -4.78 105.19 96.24 1bvm n GLY 33 Ca 0.12 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1bvm n GLY 33 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bvm n SER 34 N -0.36 0.00 0.00 1.61 7.64 -1.13 -4.83 113.62 116.56 1bvm n SER 34 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1bvm n SER 34 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1bvm n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bvm n GLY 35 N 0.00 0.96 3.45 0.23 0.00 -1.26 -4.82 105.19 103.75 1bvm n GLY 35 Ca 0.00 -1.73 -0.47 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.72 1.97 -1.12 2.61 -1.04 -1.26 -4.83 114.28 108.90 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 -0.30 0.21 0.00 -1.82 0.00 0.00 70.33 68.42 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 -1.18 -0.48 0.00 -2.82 0.04 -1.26 -4.73 135.00 124.57 1bvm s PRO 37 Ca 0.62 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1bvm s PRO 37 Cb -0.85 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1bvm s PRO 37 CO 0.57 -3.28 0.00 1.33 0.04 0.00 0.00 177.00 175.67 1bvm n VAL 38 N -4.50 0.00 -4.45 -0.36 0.24 -1.26 -4.98 118.33 103.02 1bvm n VAL 38 Ca 0.09 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.16 1bvm n VAL 38 Cb 0.58 -0.84 -0.07 0.00 -1.47 0.00 0.00 33.84 32.05 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 -2.67 1.15 -0.18 -1.34 -0.08 -1.26 -5.03 116.55 107.14 1bvm n ASP 39 Ca 0.00 -2.97 -0.10 0.00 -1.51 0.00 0.00 54.79 50.21 1bvm n ASP 39 Cb 0.50 0.96 0.01 0.00 2.34 0.00 0.00 41.12 44.92 1bvm n ASP 39 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1bvm h ASP 40 N 1.49 0.86 -0.63 1.67 3.32 -1.99 -2.34 116.42 118.80 1bvm h ASP 40 Ca -0.29 -0.30 0.05 0.00 0.02 0.00 0.00 57.03 56.52 1bvm h ASP 40 Cb 1.10 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 40.37 1bvm h ASP 40 CO 0.45 0.94 0.35 0.25 -1.72 0.00 0.00 179.24 179.52 1bvm h LEU 41 N 0.75 0.53 -0.92 1.55 5.85 -1.93 -1.13 115.31 120.00 1bvm h LEU 41 Ca 0.15 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1bvm h LEU 41 Cb 0.49 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1bvm h LEU 41 CO 0.02 0.35 0.57 -0.78 -0.34 0.00 0.00 178.44 178.26 1bvm h ASP 42 N 0.66 1.09 -0.87 1.25 3.58 -1.89 -1.57 116.42 118.68 1bvm h ASP 42 Ca 0.28 -0.06 0.11 0.00 0.42 0.00 0.00 57.03 57.78 1bvm h ASP 42 Cb 0.15 -0.28 -0.06 0.00 1.72 0.00 0.00 39.33 40.86 1bvm h ASP 42 CO -0.17 0.83 0.56 0.03 -2.88 0.00 0.00 179.24 177.61 1bvm h ARG 43 N 1.26 0.75 -0.74 0.28 2.47 -0.67 -0.57 114.38 117.17 1bvm h ARG 43 Ca 0.33 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.98 1bvm h ARG 43 Cb -0.07 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.04 1bvm h ARG 43 CO -0.06 0.50 0.37 0.00 0.56 0.00 0.00 179.97 181.34 1bvm h GLN 46 N 0.61 0.84 -0.10 0.00 4.15 -1.09 0.32 115.11 119.84 1bvm h GLN 46 Ca 0.14 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.45 1bvm h GLN 46 Cb 0.39 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1bvm h GLN 46 CO 0.01 0.56 -0.18 1.15 -1.93 0.00 0.00 178.83 178.44 1bvm h THR 47 N 0.87 1.18 0.24 2.39 2.02 -1.07 0.11 112.91 118.65 1bvm h THR 47 Ca 0.47 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1bvm h THR 47 Cb 0.50 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1bvm h THR 47 CO -0.28 0.25 -0.12 -0.74 0.37 0.00 0.00 175.52 175.00 1bvm h HIS 48 N 0.15 -0.30 -0.55 3.16 -0.00 0.04 -0.40 115.15 117.24 1bvm h HIS 48 Ca 0.03 -0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.45 1bvm h HIS 48 Cb 0.41 0.10 -0.05 0.00 -0.00 0.00 0.00 27.41 27.87 1bvm h HIS 48 CO 0.00 0.07 0.27 -0.44 -0.00 0.00 0.00 177.93 177.83 1bvm h ASP 49 N -0.77 0.37 0.05 3.26 5.19 -1.03 0.16 116.42 123.64 1bvm h ASP 49 Ca -0.03 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 1bvm h ASP 49 Cb 0.50 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.99 1bvm h ASP 49 CO 0.05 0.25 -0.03 0.78 -3.12 0.00 0.00 179.24 177.17 1bvm h ASN 50 N 0.51 0.00 0.08 6.45 2.35 -0.93 -1.67 115.58 122.37 1bvm h ASN 50 Ca 0.25 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.77 1bvm h ASN 50 Cb 0.18 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.56 1bvm h ASN 50 CO -0.19 0.03 -0.90 0.00 -1.65 0.00 0.00 177.43 174.73 1bvm h TYR 52 N 0.38 0.00 0.14 0.00 -1.99 -0.25 -0.56 116.97 114.70 1bvm h TYR 52 Ca -0.08 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.64 1bvm h TYR 52 Cb 1.53 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.26 1bvm h TYR 52 CO 0.08 0.06 -0.07 0.87 -0.00 0.00 0.00 178.16 179.10 1bvm h LYS 53 N 0.00 -0.18 -0.82 4.88 1.79 -1.36 -2.94 116.57 117.93 1bvm h LYS 53 Ca -0.00 0.01 0.19 0.00 -2.18 0.00 0.00 60.65 58.67 1bvm h LYS 53 Cb 0.23 0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.87 1bvm h LYS 53 CO 0.01 0.06 0.56 1.96 -1.08 0.00 0.00 179.45 180.95 1bvm h GLN 54 N -1.01 0.30 -0.49 3.15 4.20 -1.31 0.58 115.11 120.52 1bvm h GLN 54 Ca -0.02 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1bvm h GLN 54 Cb 0.32 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1bvm h GLN 54 CO 0.03 0.20 0.23 0.00 -0.67 0.00 0.00 178.83 178.62 1bvm h ALA 55 N 1.62 0.64 -0.80 3.87 0.00 -1.12 -2.41 119.26 121.06 1bvm h ALA 55 Ca 0.41 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1bvm h ALA 55 Cb 1.14 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1bvm h ALA 55 CO -0.12 0.21 0.38 0.87 0.00 0.00 0.00 179.25 180.59 1bvm h LYS 56 N 0.65 1.16 -0.37 0.00 1.57 -0.71 -2.25 116.57 116.63 1bvm h LYS 56 Ca 0.17 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1bvm h LYS 56 Cb 0.14 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1bvm h LYS 56 CO -0.02 0.90 0.22 -0.22 -0.57 0.00 0.00 179.45 179.76 1bvm h LYS 57 N 1.14 0.49 -6.46 3.15 3.11 -1.08 -3.31 116.57 113.61 1bvm h LYS 57 Ca 0.28 -0.04 -0.59 0.00 -2.81 0.00 0.00 60.65 57.49 1bvm h LYS 57 Cb 0.13 -0.11 0.05 0.00 -1.00 0.00 0.00 32.23 31.30 1bvm h LYS 57 CO -0.03 0.35 0.84 1.28 -2.81 0.00 0.00 179.45 179.07 1bvm n LEU 58 N -4.46 3.10 0.06 5.20 4.77 -0.85 -4.77 117.00 120.05 1bvm n LEU 58 Ca 0.02 1.07 -0.11 0.00 -0.03 0.00 0.00 56.01 56.96 1bvm n LEU 58 Cb 0.08 -1.41 -0.04 0.00 -2.33 0.00 0.00 43.42 39.72 1bvm n LEU 58 CO 0.36 -0.28 0.71 0.44 -1.33 0.00 0.00 177.39 177.29 1bvm h ASP 59 N 6.43 -0.67 -1.14 -1.43 5.19 -1.87 0.24 116.42 123.17 1bvm h ASP 59 Ca -0.46 0.09 0.33 0.00 -0.62 0.00 0.00 57.03 56.38 1bvm h ASP 59 Cb 1.26 0.28 -0.05 0.00 0.18 0.00 0.00 39.33 41.00 1bvm h ASP 59 CO 0.89 -0.30 0.84 0.28 -3.12 0.00 0.00 179.24 177.84 1bvm h SER 60 N -0.36 0.00 0.37 6.45 0.02 -1.93 0.69 113.55 118.80 1bvm h SER 60 Ca 0.06 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.70 1bvm h SER 60 Cb 0.44 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.93 1bvm h SER 60 CO -0.21 0.00 -1.85 0.00 -1.14 0.00 0.00 176.83 173.63 1bvm h LYS 62 N 0.01 0.00 -0.61 0.00 3.64 0.25 -3.20 116.57 116.66 1bvm h LYS 62 Ca -0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1bvm h LYS 62 Cb 2.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.87 1bvm h LYS 62 CO 0.07 0.53 0.00 0.28 -2.27 0.00 0.00 179.45 178.06 1bvm n VAL 63 N -3.21 0.97 0.00 2.00 0.31 0.21 -4.15 118.33 114.46 1bvm n VAL 63 Ca 0.01 -0.59 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 1bvm n VAL 63 Cb 0.76 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.57 1bvm n VAL 63 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1bvm n LEU 64 N 0.41 0.00 -0.63 7.52 7.99 -1.21 -4.97 117.00 126.11 1bvm n LEU 64 Ca 0.13 0.00 -0.01 0.00 -0.01 0.00 0.00 56.01 56.12 1bvm n LEU 64 Cb 0.54 -0.25 -0.01 0.00 -0.11 0.00 0.00 43.42 43.58 1bvm n LEU 64 CO 0.13 -0.33 0.26 0.52 -1.51 0.00 0.00 177.39 176.45 1bvm n VAL 65 N -2.12 0.00 -4.06 4.08 0.31 -1.26 -5.02 118.33 110.26 1bvm n VAL 65 Ca 0.00 -0.05 -0.36 0.00 -0.01 0.00 0.00 64.34 63.91 1bvm n VAL 65 Cb 0.00 0.23 -0.02 0.00 -0.91 0.00 0.00 33.84 33.14 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 0.03 -2.03 -3.07 4.52 2.03 -1.25 -4.89 116.55 111.89 1bvm n ASP 66 Ca -0.04 -1.13 0.02 0.00 0.52 0.00 0.00 54.79 54.16 1bvm n ASP 66 Cb 0.61 -1.36 -0.00 0.00 -0.72 0.00 0.00 41.12 39.64 1bvm n ASP 66 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1bvm s ASN 67 N -3.89 -1.15 -0.45 1.67 2.47 -1.26 -5.03 114.94 107.30 1bvm s ASN 67 Ca 0.28 -0.49 -0.05 0.00 0.42 0.00 0.00 52.86 53.02 1bvm s ASN 67 Cb -0.16 1.49 -0.14 0.00 -1.45 0.00 0.00 41.25 41.00 1bvm s ASN 67 CO 0.85 -0.14 2.55 -0.81 -3.72 0.00 0.00 177.10 175.84 1bvm n PRO 68 N 4.32 1.86 -2.69 0.43 -0.04 -1.26 -3.87 135.00 133.76 1bvm n PRO 68 Ca 0.09 -1.09 -0.05 0.00 -0.04 0.00 0.00 63.50 62.41 1bvm n PRO 68 Cb 0.59 -2.13 0.12 0.00 -0.04 0.00 0.00 33.50 32.03 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 3.20 -2.06 0.00 0.54 4.01 -1.26 -4.94 117.16 116.64 1bvm n TYR 69 Ca 0.40 -1.89 0.00 0.00 -0.16 0.00 0.00 57.90 56.25 1bvm n TYR 69 Cb 0.45 1.46 0.00 0.00 -0.31 0.00 0.00 39.34 40.93 1bvm n TYR 69 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1bvm n THR 70 N -0.94 0.00 -3.28 -0.72 5.66 -1.25 -5.00 114.28 108.74 1bvm n THR 70 Ca -0.08 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.65 1bvm n THR 70 Cb 0.86 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.61 1bvm n THR 70 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1bvm s ASN 71 N 0.00 6.40 0.16 1.09 3.84 -1.26 -4.99 114.94 120.17 1bvm s ASN 71 Ca 0.00 0.68 -0.28 0.00 0.21 0.00 0.00 52.86 53.47 1bvm s ASN 71 Cb 0.00 -2.13 -0.01 0.00 -0.55 0.00 0.00 41.25 38.56 1bvm s ASN 71 CO 0.00 -0.25 1.56 -1.13 -2.79 0.00 0.00 177.10 174.49 1bvm h ASN 72 N 1.35 -1.65 -3.78 -4.21 -0.73 -2.01 -3.46 115.58 101.09 1bvm h ASN 72 Ca -0.48 0.25 0.14 0.00 1.87 0.00 0.00 56.30 58.09 1bvm h ASN 72 Cb 1.20 0.73 -0.08 0.00 0.27 0.00 0.00 38.32 40.43 1bvm h ASN 72 CO 0.65 -0.35 -1.00 0.00 -0.37 0.00 0.00 177.43 176.36 1bvm n TYR 73 N -5.39 -3.67 0.00 0.67 4.19 -1.26 -4.94 117.16 106.76 1bvm n TYR 73 Ca 0.00 2.01 0.00 0.00 3.31 0.00 0.00 57.90 63.22 1bvm n TYR 73 Cb 0.34 -3.23 0.00 0.00 0.49 0.00 0.00 39.34 36.94 1bvm n TYR 73 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64 1bvm n SER 74 N -3.24 0.00 -0.99 2.98 3.41 -1.26 -5.12 113.62 109.40 1bvm n SER 74 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 1bvm n SER 74 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1bvm n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bvm n TYR 75 N -0.26 -0.44 -3.97 7.33 4.11 -1.26 -3.13 117.16 119.54 1bvm n TYR 75 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.78 1bvm n TYR 75 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.33 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 -0.98 0.49 0.21 9.48 0.15 0.76 -4.85 113.70 118.97 1bvm s SER 76 Ca 0.00 -1.31 0.02 0.00 0.70 0.00 0.00 55.95 55.36 1bvm s SER 76 Cb 0.00 0.74 -0.05 0.00 -1.71 0.00 0.00 66.02 65.00 1bvm s SER 76 CO 0.00 -1.46 0.04 0.00 1.20 0.00 0.00 173.24 173.02 1bvm n SER 78 N -0.35 0.00 -4.29 0.00 2.88 -0.59 -4.84 113.62 106.42 1bvm n SER 78 Ca -0.04 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.18 1bvm n SER 78 Cb 0.65 0.00 -0.09 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 0.45 -4.00 -3.46 5.03 -1.26 0.97 115.26 112.99 1bvm n ASN 79 Ca 0.00 -1.28 -0.29 0.00 0.87 0.00 0.00 54.58 53.88 1bvm n ASN 79 Cb 0.00 -1.64 -0.00 0.00 -1.02 0.00 0.00 39.78 37.12 1bvm n ASN 79 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1bvm n ASN 80 N -2.82 -2.45 -4.02 6.41 5.03 -1.26 -4.95 115.26 111.19 1bvm n ASN 80 Ca -0.31 -0.93 -0.08 0.00 0.87 0.00 0.00 54.58 54.13 1bvm n ASN 80 Cb 0.69 -3.29 -0.10 0.00 -1.02 0.00 0.00 39.78 36.06 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 -6.62 0.56 -0.09 3.52 2.02 0.27 -4.61 118.70 113.75 1bvm s GLU 81 Ca 0.40 -0.99 -0.10 0.00 0.02 0.00 0.00 54.97 54.29 1bvm s GLU 81 Cb -0.21 0.20 -0.05 0.00 0.10 0.00 0.00 34.13 34.18 1bvm s GLU 81 CO 0.88 -0.11 0.24 0.42 0.02 0.00 0.00 175.26 176.71 1bvm s ILE 82 N -3.17 5.32 -0.56 -1.63 1.01 -1.26 -1.55 121.20 119.36 1bvm s ILE 82 Ca -0.00 0.45 0.04 0.00 0.00 0.00 0.00 60.65 61.14 1bvm s ILE 82 Cb 0.02 -3.53 0.14 0.00 0.01 0.00 0.00 42.46 39.11 1bvm s ILE 82 CO -0.07 0.57 0.33 -0.89 0.00 0.00 0.00 174.94 174.88 1bvm s THR 83 N -0.81 2.41 0.18 2.92 2.01 0.58 -4.92 115.64 118.00 1bvm s THR 83 Ca 0.18 -3.46 -0.29 0.00 0.31 0.00 0.00 61.69 58.42 1bvm s THR 83 Cb -0.14 -2.65 -0.08 0.00 0.01 0.00 0.00 72.50 69.65 1bvm s THR 83 CO 0.07 -0.89 0.91 0.00 -0.69 0.00 0.00 174.62 174.02 1bvm s SER 85 N -0.79 6.81 0.64 0.00 1.04 -1.18 -4.87 113.70 115.35 1bvm s SER 85 Ca 0.42 2.32 0.42 0.00 0.48 0.00 0.00 55.95 59.59 1bvm s SER 85 Cb -0.25 -2.58 2.21 0.00 0.10 0.00 0.00 66.02 65.50 1bvm s SER 85 CO 0.30 -0.68 2.29 0.77 0.98 0.00 0.00 173.24 176.91 1bvm h SER 86 N 7.01 0.00 -0.29 7.02 4.64 -1.94 -2.05 113.55 127.94 1bvm h SER 86 Ca -0.42 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.99 1bvm h SER 86 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1bvm h SER 86 CO 0.87 0.00 0.31 -0.33 -0.87 0.00 0.00 176.83 176.81 1bvm h GLU 87 N 0.00 0.00 -6.14 4.77 4.39 -1.98 -3.42 114.58 112.20 1bvm h GLU 87 Ca -0.00 0.00 -0.75 0.00 0.34 0.00 0.00 59.36 58.95 1bvm h GLU 87 Cb 0.11 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1bvm h GLU 87 CO 0.00 0.00 0.81 0.09 -1.16 0.00 0.00 179.01 178.75 1bvm n ASN 88 N -3.81 2.12 -3.42 1.42 3.02 -0.77 -4.91 115.26 108.90 1bvm n ASN 88 Ca 0.04 1.09 -0.29 0.00 -0.03 0.00 0.00 54.58 55.39 1bvm n ASN 88 Cb 0.46 -1.12 0.26 0.00 -0.61 0.00 0.00 39.78 38.77 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 4.79 -2.78 -0.38 6.41 6.94 -1.26 -3.94 115.26 125.04 1bvm n ASN 89 Ca 0.26 -1.05 0.31 0.00 -0.02 0.00 0.00 54.58 54.07 1bvm n ASN 89 Cb 0.12 -0.98 0.60 0.00 -2.36 0.00 0.00 39.78 37.16 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 -3.03 2.58 0.00 -2.53 0.00 -1.96 0.34 119.26 114.66 1bvm h ALA 90 Ca -0.40 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1bvm h ALA 90 Cb 1.25 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1bvm h ALA 90 CO 0.25 -1.07 -0.10 0.00 0.00 0.00 0.00 179.25 178.33 1bvm h GLU 92 N -1.00 0.37 -0.10 0.00 5.08 -1.61 0.33 114.58 117.65 1bvm h GLU 92 Ca -0.02 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 1bvm h GLU 92 Cb 0.60 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.77 1bvm h GLU 92 CO -0.01 0.25 -0.44 0.00 -1.00 0.00 0.00 179.01 177.80 1bvm h ALA 93 N 1.70 0.19 -0.40 3.43 0.00 -0.46 -1.97 119.26 121.75 1bvm h ALA 93 Ca 0.28 -0.48 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1bvm h ALA 93 Cb 0.60 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1bvm h ALA 93 CO -0.08 0.33 -0.13 0.35 0.00 0.00 0.00 179.25 179.72 1bvm h PHE 94 N 0.06 0.90 -0.75 0.00 3.04 -0.86 -2.31 116.94 117.01 1bvm h PHE 94 Ca -0.03 -0.20 -0.03 0.00 3.98 0.00 0.00 57.97 61.69 1bvm h PHE 94 Cb 1.08 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 39.34 1bvm h PHE 94 CO 0.11 0.94 0.35 0.82 -2.02 0.00 0.00 178.31 178.51 1bvm h ILE 95 N 0.60 1.24 0.00 1.41 1.08 -0.42 -1.25 117.51 120.17 1bvm h ILE 95 Ca 0.10 -0.70 -0.04 0.00 -0.39 0.00 0.00 64.86 63.83 1bvm h ILE 95 Cb 0.67 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 1bvm h ILE 95 CO 0.05 0.29 -0.20 0.00 -0.69 0.00 0.00 178.15 177.60 1bvm h ASN 97 N 0.00 0.94 -0.29 0.00 4.21 -0.67 0.67 115.58 120.43 1bvm h ASN 97 Ca -0.00 -0.65 -0.02 0.00 1.21 0.00 0.00 56.30 56.84 1bvm h ASN 97 Cb 0.57 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 1bvm h ASN 97 CO 0.03 1.44 0.10 0.00 -1.29 0.00 0.00 177.43 177.70 1bvm h ASP 99 N 0.31 0.62 0.13 0.00 5.19 -1.53 -2.53 116.42 118.62 1bvm h ASP 99 Ca 0.09 -0.36 -0.01 0.00 -0.62 0.00 0.00 57.03 56.14 1bvm h ASP 99 Cb 0.23 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.56 1bvm h ASP 99 CO -0.00 1.09 -0.06 -0.09 -3.12 0.00 0.00 179.24 177.06 1bvm h ARG 100 N 0.41 -0.16 -0.46 3.56 2.43 -0.66 -2.03 114.38 117.46 1bvm h ARG 100 Ca -0.01 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.31 1bvm h ARG 100 Cb 1.18 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 1bvm h ARG 100 CO 0.12 0.31 0.36 -0.91 -1.51 0.00 0.00 179.97 178.33 1bvm h ASN 101 N -0.78 0.00 0.00 -3.80 4.21 0.34 0.36 115.58 115.90 1bvm h ASN 101 Ca -0.02 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.35 1bvm h ASN 101 Cb 0.55 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.76 1bvm h ASN 101 CO 0.03 0.00 -0.54 0.00 -1.29 0.00 0.00 177.43 175.63 1bvm h ALA 102 N 1.72 0.06 -0.46 -0.83 0.00 -1.38 -2.56 119.26 115.81 1bvm h ALA 102 Ca 0.22 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1bvm h ALA 102 Cb 0.93 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1bvm h ALA 102 CO -0.00 0.30 0.11 0.00 0.00 0.00 0.00 179.25 179.66 1bvm h ALA 103 N 0.30 0.61 -0.13 0.00 0.00 -0.44 -2.51 119.26 117.09 1bvm h ALA 103 Ca -0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1bvm h ALA 103 Cb 1.27 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1bvm h ALA 103 CO 0.11 0.30 -0.11 0.82 0.00 0.00 0.00 179.25 180.37 1bvm h ILE 104 N 0.62 1.16 -0.43 0.00 2.04 -1.07 -2.63 117.51 117.21 1bvm h ILE 104 Ca 0.14 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 1bvm h ILE 104 Cb 0.34 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1bvm h ILE 104 CO 0.00 0.21 0.06 0.00 0.00 0.00 0.00 178.15 178.43 1bvm h PHE 106 N 0.57 0.80 0.00 0.00 -1.00 -1.17 0.34 116.94 116.48 1bvm h PHE 106 Ca 0.13 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.94 1bvm h PHE 106 Cb 0.39 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 39.71 1bvm h PHE 106 CO 0.03 0.31 0.00 -1.13 -1.61 0.00 0.00 178.31 175.91 1bvm n SER 107 N -4.78 0.34 -1.00 2.17 3.41 -1.05 -2.56 113.62 110.15 1bvm n SER 107 Ca 0.13 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.41 1bvm n SER 107 Cb 0.29 -0.64 0.24 0.00 -0.26 0.00 0.00 64.21 63.84 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 -1.84 2.32 -4.06 4.33 5.02 0.11 -4.94 118.16 119.10 1bvm n LYS 108 Ca 0.05 -1.98 -0.09 0.00 -2.02 0.00 0.00 58.31 54.27 1bvm n LYS 108 Cb 0.29 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.65 0.11 1.21 -0.18 -7.23 -0.78 -5.05 120.40 106.83 1bvm s VAL 109 Ca 0.36 -1.69 -0.20 0.00 -1.81 0.00 0.00 61.98 58.64 1bvm s VAL 109 Cb 0.21 -1.86 0.29 0.00 0.56 0.00 0.00 36.38 35.58 1bvm s VAL 109 CO 0.31 -0.50 1.13 -2.16 -0.31 0.00 0.00 175.10 173.57 1bvm s PRO 110 N -3.99 -1.26 -0.31 4.82 0.04 -1.26 -4.87 135.00 128.16 1bvm s PRO 110 Ca 0.18 -0.16 0.01 0.00 0.04 0.00 0.00 61.00 61.07 1bvm s PRO 110 Cb 0.06 -1.60 0.10 0.00 0.04 0.00 0.00 34.50 33.10 1bvm s PRO 110 CO -0.01 -3.72 0.08 -0.47 0.04 0.00 0.00 177.00 172.92 1bvm s TYR 111 N -3.09 2.30 -0.75 0.56 5.04 -1.26 -4.51 117.35 115.65 1bvm s TYR 111 Ca 0.72 -2.08 -0.27 0.00 -2.44 0.00 0.00 57.07 53.00 1bvm s TYR 111 Cb -0.08 -2.04 0.03 0.00 0.35 0.00 0.00 41.96 40.21 1bvm s TYR 111 CO 0.56 -0.89 1.30 -0.80 -1.34 0.00 0.00 175.55 174.37 1bvm s ASN 112 N 1.41 6.15 0.48 4.32 0.01 -1.26 -4.83 114.94 121.22 1bvm s ASN 112 Ca 0.10 -0.46 0.30 0.00 -0.71 0.00 0.00 52.86 52.08 1bvm s ASN 112 Cb -0.18 -2.56 1.06 0.00 0.41 0.00 0.00 41.25 39.99 1bvm s ASN 112 CO -0.20 -1.84 1.86 0.07 -1.51 0.00 0.00 177.10 175.48 1bvm h LYS 113 N 10.13 0.00 -0.43 -0.60 2.10 -1.99 -3.07 116.57 122.71 1bvm h LYS 113 Ca -0.27 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.29 1bvm h LYS 113 Cb 1.05 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.36 1bvm h LYS 113 CO 1.28 0.00 -0.13 0.93 -2.00 0.00 0.00 179.45 179.54 1bvm h GLU 114 N 0.00 0.78 0.00 0.07 5.08 -2.04 -2.05 114.58 116.43 1bvm h GLU 114 Ca 0.00 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1bvm h GLU 114 Cb 0.62 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1bvm h GLU 114 CO 0.00 0.87 0.00 0.72 -1.00 0.00 0.00 179.01 179.60 1bvm n HIS 115 N -4.16 0.00 -1.96 4.33 8.25 -1.16 -4.86 115.22 115.67 1bvm n HIS 115 Ca 0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.08 1bvm n HIS 115 Cb 0.38 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.49 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 -2.00 3.89 -1.27 -0.41 2.20 -0.77 -3.10 119.74 118.29 1bvm s LYS 116 Ca 0.31 2.26 -0.13 0.00 -0.36 0.00 0.00 55.97 58.05 1bvm s LYS 116 Cb 0.14 -2.74 0.00 0.00 -1.51 0.00 0.00 37.83 33.72 1bvm s LYS 116 CO 0.24 -0.59 0.61 0.09 -0.36 0.00 0.00 175.35 175.34 1bvm n ASN 117 N 0.05 -2.94 -4.68 1.43 3.02 -1.09 -4.94 115.26 106.11 1bvm n ASN 117 Ca 0.04 -1.04 -0.29 0.00 -0.03 0.00 0.00 54.58 53.26 1bvm n ASN 117 Cb 0.43 -3.06 0.11 0.00 -0.61 0.00 0.00 39.78 36.65 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 -6.79 2.63 -0.16 3.41 2.96 -1.18 -5.03 118.68 114.51 1bvm s LEU 118 Ca 0.27 0.54 -0.17 0.00 -0.22 0.00 0.00 54.13 54.55 1bvm s LEU 118 Cb -0.10 -2.92 -0.04 0.00 0.50 0.00 0.00 46.19 43.62 1bvm s LEU 118 CO 0.88 -2.10 0.42 -0.62 -1.32 0.00 0.00 176.35 173.62 1bvm s ASP 119 N -4.67 6.54 0.63 3.68 -1.08 -1.26 -4.92 116.67 115.59 1bvm s ASP 119 Ca 0.65 0.64 0.24 0.00 -0.52 0.00 0.00 52.55 53.56 1bvm s ASP 119 Cb -0.09 -2.25 1.19 0.00 -1.46 0.00 0.00 42.92 40.32 1bvm s ASP 119 CO 0.49 -0.02 1.65 0.11 0.52 0.00 0.00 175.17 177.93 1bvm h LYS 120 N 7.00 0.00 0.00 4.34 1.57 -1.96 1.02 116.57 128.54 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 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 1bvm h LYS 120 CO 0.74 0.00 0.00 0.87 -0.57 0.00 0.00 179.45 180.49 1bvm h LYS 121 N 0.00 0.00 -0.00 3.15 6.56 -1.98 0.16 116.57 124.46 1bvm h LYS 121 Ca 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.75 1bvm h LYS 121 Cb 1.46 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.12 1bvm h LYS 121 CO -0.00 0.00 -0.82 0.09 -2.06 0.00 0.00 179.45 176.66 1bvm n ASN 122 N -2.32 1.13 -0.80 0.86 3.02 0.35 -5.22 115.26 112.29 1bvm n ASN 122 Ca 0.01 -1.00 0.10 0.00 -0.03 0.00 0.00 54.58 53.66 1bvm n ASN 122 Cb 0.16 0.79 0.08 0.00 -0.61 0.00 0.00 39.78 40.20 1bvm n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64