#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 0.33 -0.01 0.00 0.00 -1.26 -4.48 117.00 111.58 1bvm n LEU 2 Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 56.01 55.43 1bvm n LEU 2 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.39 1bvm n LEU 2 CO 0.00 0.08 -0.60 -2.67 0.00 0.00 0.00 177.39 174.20 1bvm n TRP 3 N -0.90 0.00 -0.03 1.96 2.14 -1.26 -4.47 117.44 114.89 1bvm n TRP 3 Ca 0.01 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.45 1bvm n TRP 3 Cb 0.06 -0.15 -0.10 0.00 -0.81 0.00 0.00 31.31 30.31 1bvm n TRP 3 CO 0.00 0.00 0.00 1.96 2.07 0.00 0.00 177.69 181.72 1bvm h GLN 4 N 0.00 -0.04 -0.09 -2.67 4.20 -2.00 -2.90 115.11 111.61 1bvm h GLN 4 Ca -0.07 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.68 1bvm h GLN 4 Cb 0.96 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.70 1bvm h GLN 4 CO 0.00 0.64 -0.25 0.35 -0.67 0.00 0.00 178.83 178.90 1bvm h PHE 5 N -0.79 -0.68 -0.79 2.96 3.57 -1.85 -1.03 116.94 118.33 1bvm h PHE 5 Ca -0.00 0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.68 1bvm h PHE 5 Cb 0.69 0.31 -0.10 0.00 2.79 0.00 0.00 35.95 39.65 1bvm h PHE 5 CO 0.17 -0.34 0.32 -0.97 -2.23 0.00 0.00 178.31 175.26 1bvm h ASN 6 N -0.34 0.29 -0.90 0.41 -1.24 -1.78 0.22 115.58 112.24 1bvm h ASN 6 Ca 0.09 0.12 0.10 0.00 0.71 0.00 0.00 56.30 57.31 1bvm h ASN 6 Cb 0.47 0.10 -0.08 0.00 0.73 0.00 0.00 38.32 39.54 1bvm h ASN 6 CO -0.29 0.09 0.55 1.23 -1.29 0.00 0.00 177.43 177.72 1bvm h GLY 7 N 0.44 1.43 0.88 1.57 0.00 -0.99 -0.96 103.07 105.45 1bvm h GLY 7 Ca 0.45 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.40 1bvm h GLY 7 CO -0.43 0.17 -0.12 -0.33 0.00 0.00 0.00 176.54 175.83 1bvm h MET 8 N 0.91 -0.28 -0.05 4.80 2.86 0.06 0.19 114.93 123.43 1bvm h MET 8 Ca 0.43 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 58.10 1bvm h MET 8 Cb 0.37 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 1bvm h MET 8 CO -0.24 -0.19 0.06 0.82 1.06 0.00 0.00 176.91 178.42 1bvm h ILE 9 N -0.29 0.47 0.01 -1.22 2.04 -0.90 -0.33 117.51 117.29 1bvm h ILE 9 Ca -0.01 0.00 -0.24 0.00 1.00 0.00 0.00 64.86 65.62 1bvm h ILE 9 Cb 0.26 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1bvm h ILE 9 CO -0.01 0.00 -1.19 0.11 0.00 0.00 0.00 178.15 177.06 1bvm h LYS 10 N 0.00 0.03 0.18 2.37 1.79 0.17 -2.63 116.57 118.48 1bvm h LYS 10 Ca 0.02 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1bvm h LYS 10 Cb 0.14 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1bvm h LYS 10 CO -0.00 0.91 -0.08 0.00 -1.08 0.00 0.00 179.45 179.20 1bvm h LYS 12 N -0.62 0.81 -2.89 0.00 1.79 -1.57 -3.36 116.57 110.74 1bvm h LYS 12 Ca -0.02 -0.26 -0.61 0.00 -2.18 0.00 0.00 60.65 57.57 1bvm h LYS 12 Cb 0.46 -0.07 -0.41 0.00 -1.58 0.00 0.00 32.23 30.63 1bvm h LYS 12 CO 0.04 0.87 -0.69 0.42 -1.08 0.00 0.00 179.45 179.01 1bvm s ILE 13 N -4.84 2.13 0.01 1.86 1.01 -0.99 -4.90 121.20 115.48 1bvm s ILE 13 Ca -0.10 -3.75 0.17 0.00 0.00 0.00 0.00 60.65 56.97 1bvm s ILE 13 Cb 0.14 -2.41 0.09 0.00 0.01 0.00 0.00 42.46 40.29 1bvm s ILE 13 CO 0.82 -1.06 1.58 1.55 0.00 0.00 0.00 174.94 177.83 1bvm h PRO 14 N 5.53 0.00 -0.20 2.79 0.13 -1.49 -3.22 132.00 135.54 1bvm h PRO 14 Ca 0.17 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.14 1bvm h PRO 14 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.93 1bvm h PRO 14 CO 0.61 0.46 -0.52 0.66 -0.23 0.00 0.00 178.00 178.98 1bvm h SER 15 N 0.00 0.62 -2.17 1.44 4.64 -1.90 -3.44 113.55 112.73 1bvm h SER 15 Ca -0.00 -0.32 -0.48 0.00 -0.47 0.00 0.00 61.79 60.52 1bvm h SER 15 Cb 1.17 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 1bvm h SER 15 CO 0.06 1.02 -0.46 -0.44 -0.87 0.00 0.00 176.83 176.14 1bvm s SER 16 N -6.91 5.96 -0.03 4.97 0.01 -1.22 -5.11 113.70 111.38 1bvm s SER 16 Ca -0.07 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1bvm s SER 16 Cb 0.11 -1.63 -0.03 0.00 0.21 0.00 0.00 66.02 64.68 1bvm s SER 16 CO 0.84 -0.08 0.00 -1.61 0.41 0.00 0.00 173.24 172.80 1bvm s GLU 17 N -3.93 2.85 0.10 12.44 0.41 -1.26 -4.91 118.70 124.40 1bvm s GLU 17 Ca 0.34 -0.54 -0.12 0.00 -0.41 0.00 0.00 54.97 54.24 1bvm s GLU 17 Cb -0.08 -2.71 -0.17 0.00 -1.78 0.00 0.00 34.13 29.38 1bvm s GLU 17 CO 0.27 0.65 1.26 -1.00 -0.49 0.00 0.00 175.26 175.96 1bvm h PRO 18 N 4.62 0.71 0.00 0.39 0.13 -1.90 -0.82 132.00 135.13 1bvm h PRO 18 Ca -0.49 -0.67 0.00 0.00 -0.87 0.00 0.00 66.00 63.97 1bvm h PRO 18 Cb 1.18 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1bvm h PRO 18 CO 0.56 1.27 0.00 1.28 -0.23 0.00 0.00 178.00 180.88 1bvm n LEU 19 N -3.88 0.00 -0.00 1.56 4.77 -1.26 -2.00 117.00 116.18 1bvm n LEU 19 Ca -0.09 0.18 0.02 0.00 -0.03 0.00 0.00 56.01 56.09 1bvm n LEU 19 Cb 0.81 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 1bvm n LEU 19 CO 0.54 -0.02 -0.25 0.18 -1.33 0.00 0.00 177.39 176.52 1bvm n LEU 20 N -1.18 0.14 0.04 2.23 4.77 -1.15 -4.68 117.00 117.17 1bvm n LEU 20 Ca 0.16 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1bvm n LEU 20 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1bvm n LEU 20 CO 0.19 0.03 0.00 0.47 -1.33 0.00 0.00 177.39 176.75 1bvm n ASP 21 N -1.36 0.48 -1.88 -1.43 8.00 -0.32 -4.79 116.55 115.25 1bvm n ASP 21 Ca 0.00 0.11 -0.12 0.00 0.71 0.00 0.00 54.79 55.50 1bvm n ASP 21 Cb 0.10 -0.11 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 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 -3.03 0.67 -3.53 1.24 3.72 -0.85 -4.84 117.46 110.84 1bvm n PHE 22 Ca 0.00 -1.53 -0.41 0.00 -0.05 0.00 0.00 57.45 55.46 1bvm n PHE 22 Cb 0.00 -1.01 -0.11 0.00 -0.94 0.00 0.00 39.48 37.42 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 1.24 5.96 -0.78 4.37 2.47 -1.08 -4.60 114.94 122.52 1bvm s ASN 23 Ca 0.33 -0.72 -0.02 0.00 0.42 0.00 0.00 52.86 52.87 1bvm s ASN 23 Cb 0.20 -2.11 0.00 0.00 -1.45 0.00 0.00 41.25 37.89 1bvm s ASN 23 CO -0.04 -0.34 0.63 -3.20 -3.72 0.00 0.00 177.10 170.44 1bvm n ASN 24 N 5.09 -5.70 -4.37 -4.21 5.15 -1.25 -4.63 115.26 105.34 1bvm n ASN 24 Ca -0.12 -0.68 -0.19 0.00 -0.60 0.00 0.00 54.58 52.99 1bvm n ASN 24 Cb 0.48 -2.69 -0.10 0.00 -0.53 0.00 0.00 39.78 36.94 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 -2.93 1.77 0.00 1.20 6.14 0.48 -2.65 117.35 121.37 1bvm s TYR 25 Ca 0.02 -0.63 0.00 0.00 0.64 0.00 0.00 57.07 57.10 1bvm s TYR 25 Cb -0.00 -0.89 0.00 0.00 0.42 0.00 0.00 41.96 41.48 1bvm s TYR 25 CO 0.86 0.31 0.00 0.41 0.64 0.00 0.00 175.55 177.77 1bvm n GLY 26 N -0.44 0.30 0.09 8.97 0.00 -1.24 -3.02 105.19 109.84 1bvm n GLY 26 Ca -0.07 -0.76 0.02 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.74 0.00 -1.44 0.00 4.01 -1.26 -1.26 117.16 114.48 1bvm n TYR 28 Ca -0.10 0.00 -0.60 0.00 -0.16 0.00 0.00 57.90 57.04 1bvm n TYR 28 Cb 0.79 -0.53 -0.10 0.00 -0.31 0.00 0.00 39.34 39.18 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 6.24 -0.33 2.47 0.00 0.00 -1.26 -0.39 105.19 111.92 1bvm n GLY 30 Ca 0.45 -2.24 -0.26 0.00 0.00 0.00 0.00 46.02 43.96 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 1.77 0.00 0.99 7.94 -1.26 -4.83 117.00 121.60 1bvm n LEU 31 Ca 0.00 -4.97 0.00 0.00 -1.11 0.00 0.00 56.01 49.93 1bvm n LEU 31 Cb 0.00 -0.09 0.00 0.00 0.53 0.00 0.00 43.42 43.86 1bvm n LEU 31 CO 0.00 1.95 0.00 0.61 -1.11 0.00 0.00 177.39 178.84 1bvm n GLY 32 N 1.67 -1.15 3.22 -3.96 0.00 -1.26 -5.11 105.19 98.60 1bvm n GLY 32 Ca 0.25 0.30 -0.29 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.60 0.00 -0.02 0.00 -1.26 -5.03 105.19 96.29 1bvm n GLY 33 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1bvm n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bvm n SER 34 N -2.08 0.00 0.00 1.61 3.41 -0.39 -4.71 113.62 111.46 1bvm n SER 34 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1bvm n SER 34 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1bvm n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bvm n GLY 35 N 0.00 -0.01 3.33 5.00 0.00 -1.26 -4.77 105.19 107.48 1bvm n GLY 35 Ca 0.00 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.35 0.89 -1.34 2.61 -1.04 -1.26 -4.64 114.28 108.15 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 -0.16 0.11 0.00 -1.82 0.00 0.00 70.33 68.46 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 -1.19 1.83 0.00 -2.82 0.04 -1.26 -4.47 135.00 127.12 1bvm s PRO 37 Ca 0.60 0.86 0.10 0.00 0.04 0.00 0.00 61.00 62.61 1bvm s PRO 37 Cb -0.60 -1.87 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 1bvm s PRO 37 CO 0.62 -1.85 0.63 1.33 0.04 0.00 0.00 177.00 177.76 1bvm n VAL 38 N -3.62 0.00 -3.69 -0.36 0.24 -1.26 -4.95 118.33 104.68 1bvm n VAL 38 Ca 0.07 -0.38 0.01 0.00 -2.04 0.00 0.00 64.34 62.00 1bvm n VAL 38 Cb 0.55 1.11 -0.00 0.00 -1.47 0.00 0.00 33.84 34.03 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 -1.46 -0.07 0.41 -1.34 2.15 -1.26 -4.98 116.67 110.13 1bvm s ASP 39 Ca 0.08 -0.22 0.15 0.00 0.43 0.00 0.00 52.55 52.99 1bvm s ASP 39 Cb 0.08 0.23 1.01 0.00 -0.30 0.00 0.00 42.92 43.95 1bvm s ASP 39 CO 0.28 -0.44 1.91 -2.24 -0.17 0.00 0.00 175.17 174.51 1bvm h ASP 40 N 2.00 0.44 0.11 -0.34 3.04 -1.97 -1.44 116.42 118.27 1bvm h ASP 40 Ca -0.29 0.03 -0.01 0.00 -3.24 0.00 0.00 57.03 53.53 1bvm h ASP 40 Cb 1.21 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 39.44 1bvm h ASP 40 CO 0.29 0.22 -0.05 0.25 -2.04 0.00 0.00 179.24 177.91 1bvm h LEU 41 N 0.46 -0.13 -1.19 0.15 5.85 -1.92 -2.57 115.31 115.96 1bvm h LEU 41 Ca 0.39 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 59.04 1bvm h LEU 41 Cb 0.85 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.85 1bvm h LEU 41 CO -0.14 0.09 0.58 -0.78 -0.34 0.00 0.00 178.44 177.85 1bvm h ASP 42 N -0.34 0.81 -0.75 1.25 3.58 -1.68 0.95 116.42 120.24 1bvm h ASP 42 Ca -0.02 0.02 0.11 0.00 0.42 0.00 0.00 57.03 57.56 1bvm h ASP 42 Cb 0.28 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.13 1bvm h ASP 42 CO 0.03 0.48 0.50 0.03 -2.88 0.00 0.00 179.24 177.39 1bvm h ARG 43 N 0.90 0.61 -0.30 0.28 2.47 -0.93 -1.07 114.38 116.34 1bvm h ARG 43 Ca 0.41 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 59.08 1bvm h ARG 43 Cb 0.39 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.56 1bvm h ARG 43 CO -0.17 0.40 0.13 0.00 0.56 0.00 0.00 179.97 180.88 1bvm h GLN 46 N 0.52 0.87 -0.19 0.00 4.15 -1.11 0.14 115.11 119.50 1bvm h GLN 46 Ca 0.14 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.44 1bvm h GLN 46 Cb 0.09 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 1bvm h GLN 46 CO -0.02 0.58 -0.21 1.15 -1.93 0.00 0.00 178.83 178.40 1bvm h THR 47 N 0.90 1.23 -0.53 2.39 2.02 -0.69 -2.03 112.91 116.20 1bvm h THR 47 Ca 0.46 -1.08 0.02 0.00 0.77 0.00 0.00 66.41 66.58 1bvm h THR 47 Cb 0.51 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 1bvm h THR 47 CO -0.22 0.34 0.33 -0.74 0.37 0.00 0.00 175.52 175.59 1bvm h HIS 48 N 0.30 0.62 -0.16 3.16 -0.00 -0.06 0.29 115.15 119.30 1bvm h HIS 48 Ca 0.05 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.41 1bvm h HIS 48 Cb 0.55 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.75 1bvm h HIS 48 CO 0.01 0.36 0.00 -0.44 -0.00 0.00 0.00 177.93 177.86 1bvm h ASP 49 N 0.66 0.28 -0.38 3.26 5.19 -1.19 -1.87 116.42 122.36 1bvm h ASP 49 Ca 0.21 -0.31 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1bvm h ASP 49 Cb -0.00 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 39.42 1bvm h ASP 49 CO -0.08 0.52 0.25 0.78 -3.12 0.00 0.00 179.24 177.58 1bvm h ASN 50 N 0.04 0.43 -0.28 6.45 2.35 -0.95 -2.14 115.58 121.48 1bvm h ASN 50 Ca 0.05 -0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 1bvm h ASN 50 Cb 0.37 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 1bvm h ASN 50 CO 0.01 0.31 -0.29 0.00 -1.65 0.00 0.00 177.43 175.81 1bvm h TYR 52 N 0.44 0.00 0.08 0.00 -1.99 -0.70 0.30 116.97 115.10 1bvm h TYR 52 Ca 0.04 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.77 1bvm h TYR 52 Cb 0.87 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.60 1bvm h TYR 52 CO 0.07 0.00 -0.04 0.87 -0.00 0.00 0.00 178.16 179.07 1bvm h LYS 53 N 0.00 -0.10 -0.64 4.88 1.57 -1.20 -2.95 116.57 118.13 1bvm h LYS 53 Ca 0.03 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.92 1bvm h LYS 53 Cb 0.12 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1bvm h LYS 53 CO -0.00 0.45 0.43 1.96 -0.57 0.00 0.00 179.45 181.72 1bvm h GLN 54 N -0.83 0.42 -0.83 3.15 4.20 -0.75 -0.32 115.11 120.16 1bvm h GLN 54 Ca -0.01 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1bvm h GLN 54 Cb 0.60 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.25 1bvm h GLN 54 CO 0.02 0.28 0.41 0.00 -0.67 0.00 0.00 178.83 178.86 1bvm h ALA 55 N 1.68 1.07 -0.31 3.87 0.00 -0.38 -2.31 119.26 122.88 1bvm h ALA 55 Ca 0.30 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1bvm h ALA 55 Cb 0.58 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1bvm h ALA 55 CO -0.09 0.63 -0.26 0.87 0.00 0.00 0.00 179.25 180.40 1bvm h LYS 56 N 1.18 0.63 -0.35 0.00 1.57 -0.90 -2.77 116.57 115.92 1bvm h LYS 56 Ca 0.29 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1bvm h LYS 56 Cb 0.11 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1bvm h LYS 56 CO -0.04 0.83 0.17 0.87 -0.57 0.00 0.00 179.45 180.71 1bvm h LYS 57 N 0.54 0.48 -6.14 3.15 1.79 -0.88 -3.17 116.57 112.34 1bvm h LYS 57 Ca 0.07 -0.05 -0.75 0.00 -2.18 0.00 0.00 60.65 57.75 1bvm h LYS 57 Cb 0.74 -0.10 0.04 0.00 -1.58 0.00 0.00 32.23 31.33 1bvm h LYS 57 CO 0.06 0.38 0.52 1.28 -1.08 0.00 0.00 179.45 180.60 1bvm n LEU 58 N -4.42 1.42 -0.16 2.94 4.32 -1.01 -4.51 117.00 115.57 1bvm n LEU 58 Ca 0.02 1.13 -0.13 0.00 -0.02 0.00 0.00 56.01 57.01 1bvm n LEU 58 Cb 0.11 -1.08 -0.09 0.00 -1.62 0.00 0.00 43.42 40.75 1bvm n LEU 58 CO 0.36 -1.05 0.51 0.44 -1.22 0.00 0.00 177.39 176.44 1bvm h ASP 59 N 4.97 -1.79 -1.49 -1.43 5.19 -1.89 0.87 116.42 120.85 1bvm h ASP 59 Ca -0.48 0.25 0.43 0.00 -0.62 0.00 0.00 57.03 56.61 1bvm h ASP 59 Cb 1.36 0.75 -0.06 0.00 0.18 0.00 0.00 39.33 41.55 1bvm h ASP 59 CO 0.82 -0.38 1.07 0.28 -3.12 0.00 0.00 179.24 177.91 1bvm h SER 60 N -0.35 0.01 0.47 6.45 0.02 -1.94 0.73 113.55 118.95 1bvm h SER 60 Ca 0.10 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.77 1bvm h SER 60 Cb 0.58 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.08 1bvm h SER 60 CO -0.63 -0.00 -1.73 0.00 -1.14 0.00 0.00 176.83 173.33 1bvm h LYS 62 N 0.00 0.00 0.00 0.00 3.64 0.56 0.26 116.57 121.03 1bvm h LYS 62 Ca -0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1bvm h LYS 62 Cb 1.97 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.79 1bvm h LYS 62 CO 0.07 0.04 -1.55 0.28 -2.27 0.00 0.00 179.45 176.02 1bvm n VAL 63 N -3.30 0.21 -0.07 2.00 0.31 -0.82 -4.42 118.33 112.25 1bvm n VAL 63 Ca -0.02 -0.47 -0.22 0.00 -0.01 0.00 0.00 64.34 63.63 1bvm n VAL 63 Cb 0.19 -0.04 -0.12 0.00 -0.91 0.00 0.00 33.84 32.95 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 -2.32 2.41 -1.53 7.52 7.99 -0.71 -4.93 117.00 125.43 1bvm n LEU 64 Ca -0.02 0.22 -0.12 0.00 -0.01 0.00 0.00 56.01 56.08 1bvm n LEU 64 Cb 0.54 -1.00 -0.04 0.00 -0.11 0.00 0.00 43.42 42.81 1bvm n LEU 64 CO 0.43 0.68 -0.12 0.52 -1.51 0.00 0.00 177.39 177.40 1bvm n VAL 65 N -3.79 -0.09 -0.57 4.08 0.31 0.84 -4.88 118.33 114.22 1bvm n VAL 65 Ca -0.38 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.65 1bvm n VAL 65 Cb 0.92 -1.20 0.22 0.00 -0.91 0.00 0.00 33.84 32.87 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 -0.57 -2.14 -4.73 4.52 5.68 -1.26 -4.91 116.55 113.14 1bvm n ASP 66 Ca -0.12 -0.17 -0.41 0.00 -0.50 0.00 0.00 54.79 53.59 1bvm n ASP 66 Cb 0.42 -1.10 -0.04 0.00 -1.14 0.00 0.00 41.12 39.26 1bvm n ASP 66 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1bvm s ASN 67 N -2.10 7.30 0.43 -1.12 0.02 -1.26 -4.93 114.94 113.27 1bvm s ASN 67 Ca 0.62 1.56 0.24 0.00 -1.02 0.00 0.00 52.86 54.26 1bvm s ASN 67 Cb -0.19 -2.52 0.68 0.00 0.02 0.00 0.00 41.25 39.24 1bvm s ASN 67 CO 0.66 -0.11 1.72 1.55 0.02 0.00 0.00 177.10 180.94 1bvm h PRO 68 N 6.18 0.00 -0.94 -0.60 0.13 -2.00 -2.94 132.00 131.82 1bvm h PRO 68 Ca -0.42 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.49 1bvm h PRO 68 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 1bvm h PRO 68 CO 0.73 0.16 0.27 0.66 -0.23 0.00 0.00 178.00 179.59 1bvm n TYR 69 N -3.20 1.57 0.00 1.56 4.02 -1.26 -2.90 117.16 116.94 1bvm n TYR 69 Ca 0.02 -1.03 0.00 0.00 -0.01 0.00 0.00 57.90 56.88 1bvm n TYR 69 Cb 0.49 -0.56 0.00 0.00 -0.02 0.00 0.00 39.34 39.25 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 -0.22 0.00 -2.23 -0.72 5.66 -1.18 -4.56 114.28 111.04 1bvm n THR 70 Ca 0.29 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.88 1bvm n THR 70 Cb 1.06 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.84 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 7.65 0.00 1.09 5.15 -1.12 -4.76 115.26 123.27 1bvm n ASN 71 Ca 0.00 -3.31 0.00 0.00 -0.60 0.00 0.00 54.58 50.67 1bvm n ASN 71 Cb 0.00 -1.31 0.00 0.00 -0.53 0.00 0.00 39.78 37.94 1bvm n ASN 71 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1bvm n ASN 72 N 1.30 0.00 -1.07 1.20 4.13 -1.26 -4.86 115.26 114.71 1bvm n ASN 72 Ca 0.56 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.82 1bvm n ASN 72 Cb 0.26 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.50 1bvm n ASN 72 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1bvm n TYR 73 N 0.00 -2.80 -3.10 3.10 4.19 -1.26 -5.04 117.16 112.25 1bvm n TYR 73 Ca 0.00 1.46 0.00 0.00 3.31 0.00 0.00 57.90 62.68 1bvm n TYR 73 Cb 0.00 -2.73 -0.01 0.00 0.49 0.00 0.00 39.34 37.09 1bvm n TYR 73 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1bvm s SER 74 N -1.88 -1.40 0.38 2.98 0.15 -1.26 -5.13 113.70 107.53 1bvm s SER 74 Ca 0.00 -0.85 0.04 0.00 0.70 0.00 0.00 55.95 55.83 1bvm s SER 74 Cb 0.00 1.80 -0.03 0.00 -1.71 0.00 0.00 66.02 66.08 1bvm s SER 74 CO 0.00 -0.14 0.13 -0.72 1.20 0.00 0.00 173.24 173.71 1bvm s TYR 75 N 1.71 1.77 0.30 3.44 -0.85 -1.26 -2.10 117.35 120.37 1bvm s TYR 75 Ca 0.18 -1.27 0.07 0.00 -0.52 0.00 0.00 57.07 55.53 1bvm s TYR 75 Cb -0.03 -1.10 -0.02 0.00 0.38 0.00 0.00 41.96 41.19 1bvm s TYR 75 CO -0.07 -0.32 0.24 0.45 -1.52 0.00 0.00 175.55 174.33 1bvm n SER 76 N -1.16 -0.46 -4.44 -0.18 2.88 0.76 -4.91 113.62 106.11 1bvm n SER 76 Ca -0.04 -2.96 -0.21 0.00 -1.33 0.00 0.00 58.87 54.33 1bvm n SER 76 Cb 0.65 1.45 -0.10 0.00 -0.75 0.00 0.00 64.21 65.45 1bvm n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bvm n SER 78 N -0.62 0.00 -4.27 0.00 2.88 -0.54 -4.83 113.62 106.25 1bvm n SER 78 Ca -0.05 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.18 1bvm n SER 78 Cb 0.64 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 64.01 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 0.60 -4.09 -3.46 3.02 -1.26 0.12 115.26 110.20 1bvm n ASN 79 Ca 0.00 -1.26 -0.31 0.00 -0.03 0.00 0.00 54.58 52.98 1bvm n ASN 79 Cb 0.00 -1.56 -0.02 0.00 -0.61 0.00 0.00 39.78 37.60 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 -2.77 -2.26 -3.94 6.41 5.03 -1.26 -4.93 115.26 111.54 1bvm n ASN 80 Ca -0.31 -0.99 -0.09 0.00 0.87 0.00 0.00 54.58 54.07 1bvm n ASN 80 Cb 0.68 -2.99 -0.09 0.00 -1.02 0.00 0.00 39.78 36.36 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 -6.75 0.66 0.02 3.52 2.02 0.33 -4.54 118.70 113.95 1bvm s GLU 81 Ca 0.44 -0.89 -0.14 0.00 0.02 0.00 0.00 54.97 54.40 1bvm s GLU 81 Cb -0.23 0.26 -0.06 0.00 0.10 0.00 0.00 34.13 34.19 1bvm s GLU 81 CO 0.90 -0.17 0.41 0.42 0.02 0.00 0.00 175.26 176.84 1bvm s ILE 82 N -3.16 5.03 -0.50 -1.63 1.01 -1.26 -1.47 121.20 119.22 1bvm s ILE 82 Ca -0.00 0.80 0.03 0.00 0.00 0.00 0.00 60.65 61.47 1bvm s ILE 82 Cb 0.02 -3.71 0.13 0.00 0.01 0.00 0.00 42.46 38.91 1bvm s ILE 82 CO -0.07 0.53 0.24 -0.89 0.00 0.00 0.00 174.94 174.76 1bvm s THR 83 N -1.13 2.74 0.12 2.92 2.01 0.54 -4.92 115.64 117.91 1bvm s THR 83 Ca 0.25 -3.02 -0.20 0.00 0.31 0.00 0.00 61.69 59.03 1bvm s THR 83 Cb -0.16 -2.90 -0.07 0.00 0.01 0.00 0.00 72.50 69.38 1bvm s THR 83 CO 0.14 -0.77 0.62 0.00 -0.69 0.00 0.00 174.62 173.92 1bvm s SER 85 N -1.26 6.30 0.16 0.00 1.04 -0.89 -4.89 113.70 114.17 1bvm s SER 85 Ca 0.33 2.59 0.23 0.00 0.48 0.00 0.00 55.95 59.58 1bvm s SER 85 Cb -0.19 -2.63 0.90 0.00 0.10 0.00 0.00 66.02 64.20 1bvm s SER 85 CO 0.21 -0.85 1.71 -1.54 0.98 0.00 0.00 173.24 173.75 1bvm n SER 86 N 0.05 0.50 0.29 7.02 3.41 -1.26 -2.85 113.62 120.78 1bvm n SER 86 Ca 0.04 0.59 0.16 0.00 -0.26 0.00 0.00 58.87 59.40 1bvm n SER 86 Cb 0.44 -0.71 0.86 0.00 -0.26 0.00 0.00 64.21 64.54 1bvm n SER 86 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1bvm h GLU 87 N 0.00 0.00 -6.13 4.33 4.39 -1.96 -3.43 114.58 111.78 1bvm h GLU 87 Ca 0.00 0.00 -0.70 0.00 0.34 0.00 0.00 59.36 59.00 1bvm h GLU 87 Cb 0.47 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1bvm h GLU 87 CO 0.00 0.06 1.08 0.09 -1.16 0.00 0.00 179.01 179.08 1bvm n ASN 88 N -3.52 2.48 -3.00 1.42 4.13 -1.13 -4.93 115.26 110.69 1bvm n ASN 88 Ca -0.02 0.88 -0.15 0.00 1.68 0.00 0.00 54.58 56.98 1bvm n ASN 88 Cb 0.18 -1.20 0.12 0.00 -1.54 0.00 0.00 39.78 37.33 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 6.77 -1.10 -0.37 6.41 0.23 -1.26 -3.93 115.26 122.01 1bvm n ASN 89 Ca 0.30 -0.94 0.28 0.00 -0.53 0.00 0.00 54.58 53.69 1bvm n ASN 89 Cb 0.18 -0.50 0.54 0.00 -2.08 0.00 0.00 39.78 37.92 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 -2.24 2.27 0.00 -2.53 0.00 -1.97 0.46 119.26 115.26 1bvm h ALA 90 Ca -0.21 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1bvm h ALA 90 Cb 0.61 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1bvm h ALA 90 CO 0.14 -0.85 -0.15 0.00 0.00 0.00 0.00 179.25 178.39 1bvm h GLU 92 N -1.00 0.21 -0.01 0.00 4.39 -1.61 0.60 114.58 117.15 1bvm h GLU 92 Ca -0.04 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 1bvm h GLU 92 Cb 0.82 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1bvm h GLU 92 CO -0.02 0.14 -0.24 0.00 -1.16 0.00 0.00 179.01 177.72 1bvm h ALA 93 N 1.85 0.05 -0.63 3.43 0.00 -0.22 -2.47 119.26 121.27 1bvm h ALA 93 Ca 0.12 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 1bvm h ALA 93 Cb 0.20 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1bvm h ALA 93 CO -0.02 0.08 0.16 0.35 0.00 0.00 0.00 179.25 179.82 1bvm h PHE 94 N -0.45 1.05 -0.76 0.00 3.04 -1.10 -2.05 116.94 116.66 1bvm h PHE 94 Ca -0.03 -0.12 -0.04 0.00 3.98 0.00 0.00 57.97 61.76 1bvm h PHE 94 Cb 0.97 -0.30 -0.03 0.00 2.56 0.00 0.00 35.95 39.15 1bvm h PHE 94 CO 0.17 0.87 0.32 0.82 -2.02 0.00 0.00 178.31 178.48 1bvm h ILE 95 N 0.92 1.25 0.00 1.41 2.04 -0.96 -1.51 117.51 120.65 1bvm h ILE 95 Ca 0.20 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 1bvm h ILE 95 Cb 0.35 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1bvm h ILE 95 CO 0.00 0.31 -0.16 0.00 0.00 0.00 0.00 178.15 178.30 1bvm h ASN 97 N 0.00 0.26 -0.15 0.00 2.35 -0.57 -2.23 115.58 115.24 1bvm h ASN 97 Ca -0.00 -0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 55.50 1bvm h ASN 97 Cb 0.58 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 1bvm h ASN 97 CO 0.02 1.01 -0.05 0.00 -1.65 0.00 0.00 177.43 176.76 1bvm h ASP 99 N -0.01 0.98 0.55 0.00 5.19 -1.60 -2.32 116.42 119.23 1bvm h ASP 99 Ca 0.04 -0.39 -0.03 0.00 -0.62 0.00 0.00 57.03 56.03 1bvm h ASP 99 Cb 0.49 -0.27 0.01 0.00 0.18 0.00 0.00 39.33 39.74 1bvm h ASP 99 CO 0.02 1.18 -0.27 -0.09 -3.12 0.00 0.00 179.24 176.96 1bvm h ARG 100 N 0.81 -0.72 -0.23 3.56 2.43 -1.38 -1.88 114.38 116.98 1bvm h ARG 100 Ca 0.09 0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.38 1bvm h ARG 100 Cb 0.84 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1bvm h ARG 100 CO 0.07 -0.42 0.37 -0.91 -1.51 0.00 0.00 179.97 177.57 1bvm h ASN 101 N -1.07 0.00 0.06 -3.80 2.35 -1.18 -0.17 115.58 111.76 1bvm h ASN 101 Ca -0.08 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1bvm h ASN 101 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1bvm h ASN 101 CO 0.13 0.00 -0.03 0.00 -1.65 0.00 0.00 177.43 175.88 1bvm h ALA 102 N 1.48 -0.08 0.00 -0.83 0.00 -1.05 -2.65 119.26 116.13 1bvm h ALA 102 Ca 0.11 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1bvm h ALA 102 Cb 0.84 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1bvm h ALA 102 CO -0.00 -0.19 -0.26 0.00 0.00 0.00 0.00 179.25 178.80 1bvm h ALA 103 N 0.01 1.53 -0.21 0.00 0.00 -0.39 -2.54 119.26 117.66 1bvm h ALA 103 Ca -0.01 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 1bvm h ALA 103 Cb 0.63 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1bvm h ALA 103 CO 0.01 0.33 -0.45 0.82 0.00 0.00 0.00 179.25 179.96 1bvm h ILE 104 N 0.00 1.31 -0.25 0.00 2.04 -1.12 -2.89 117.51 116.60 1bvm h ILE 104 Ca -0.00 -1.64 -0.05 0.00 1.00 0.00 0.00 64.86 64.17 1bvm h ILE 104 Cb 0.47 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1bvm h ILE 104 CO 0.03 0.51 -0.03 0.00 0.00 0.00 0.00 178.15 178.67 1bvm h PHE 106 N 0.23 1.06 0.00 0.00 0.04 -1.48 0.95 116.94 117.74 1bvm h PHE 106 Ca 0.07 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1bvm h PHE 106 Cb 0.47 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1bvm h PHE 106 CO 0.04 0.48 -0.09 -1.13 -0.60 0.00 0.00 178.31 177.02 1bvm n SER 107 N -4.62 0.14 -0.55 2.17 3.41 -1.10 -3.20 113.62 109.88 1bvm n SER 107 Ca 0.15 0.39 0.11 0.00 -0.26 0.00 0.00 58.87 59.26 1bvm n SER 107 Cb 0.25 -0.40 0.05 0.00 -0.26 0.00 0.00 64.21 63.86 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 -1.56 1.36 -4.21 4.33 4.76 0.20 -4.95 118.16 118.10 1bvm n LYS 108 Ca 0.07 -1.11 -0.12 0.00 -2.87 0.00 0.00 58.31 54.28 1bvm n LYS 108 Cb 0.35 -1.48 -0.10 0.00 -1.84 0.00 0.00 35.03 31.96 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 -2.40 0.89 0.83 -0.18 -7.23 -0.44 -5.04 120.40 106.83 1bvm s VAL 109 Ca 0.21 -1.99 -0.12 0.00 -1.81 0.00 0.00 61.98 58.27 1bvm s VAL 109 Cb 0.19 -1.77 0.09 0.00 0.56 0.00 0.00 36.38 35.44 1bvm s VAL 109 CO 0.52 -0.81 1.10 -2.16 -0.31 0.00 0.00 175.10 173.45 1bvm s PRO 110 N -3.80 1.82 -0.12 4.82 0.04 -1.26 -4.84 135.00 131.66 1bvm s PRO 110 Ca 0.14 0.64 0.02 0.00 0.04 0.00 0.00 61.00 61.84 1bvm s PRO 110 Cb 0.04 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.70 1bvm s PRO 110 CO -0.02 -1.80 -0.18 -0.47 0.04 0.00 0.00 177.00 174.56 1bvm s TYR 111 N -3.13 2.24 -0.92 0.56 5.04 -1.26 -4.62 117.35 115.27 1bvm s TYR 111 Ca 0.62 -1.06 -0.16 0.00 -2.44 0.00 0.00 57.07 54.02 1bvm s TYR 111 Cb -0.15 -1.57 0.17 0.00 0.35 0.00 0.00 41.96 40.76 1bvm s TYR 111 CO 0.55 -0.50 1.02 -0.80 -1.34 0.00 0.00 175.55 174.47 1bvm s ASN 112 N 0.83 6.73 0.64 4.32 0.01 -1.26 -4.85 114.94 121.36 1bvm s ASN 112 Ca -0.09 -2.38 0.28 0.00 -0.71 0.00 0.00 52.86 49.96 1bvm s ASN 112 Cb -0.16 -2.33 1.47 0.00 0.41 0.00 0.00 41.25 40.65 1bvm s ASN 112 CO -0.00 -0.84 1.85 0.07 -1.51 0.00 0.00 177.10 176.66 1bvm h LYS 113 N 8.29 0.00 -0.37 -0.60 2.10 -1.97 0.28 116.57 124.30 1bvm h LYS 113 Ca 0.15 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.67 1bvm h LYS 113 Cb 1.02 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.33 1bvm h LYS 113 CO 0.98 0.00 -0.28 1.49 -2.00 0.00 0.00 179.45 179.65 1bvm h GLU 114 N 0.00 0.78 -0.00 0.07 4.81 -2.03 -2.27 114.58 115.94 1bvm h GLU 114 Ca 0.08 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1bvm h GLU 114 Cb 0.95 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.31 1bvm h GLU 114 CO -0.00 0.96 0.00 0.72 -0.73 0.00 0.00 179.01 179.96 1bvm n HIS 115 N -4.09 0.00 -2.10 0.92 8.25 0.99 -4.84 115.22 114.35 1bvm n HIS 115 Ca -0.01 -0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 1bvm n HIS 115 Cb 0.47 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 3.83 -1.40 -0.41 2.20 -0.86 -3.13 119.74 117.96 1bvm s LYS 116 Ca 0.30 2.03 -0.09 0.00 -0.36 0.00 0.00 55.97 57.85 1bvm s LYS 116 Cb 0.14 -2.60 0.01 0.00 -1.51 0.00 0.00 37.83 33.87 1bvm s LYS 116 CO 0.23 -0.57 0.33 0.09 -0.36 0.00 0.00 175.35 175.07 1bvm n ASN 117 N -0.17 -1.00 -4.35 1.43 3.02 -1.08 -4.90 115.26 108.21 1bvm n ASN 117 Ca 0.05 -1.18 -0.29 0.00 -0.03 0.00 0.00 54.58 53.13 1bvm n ASN 117 Cb 0.45 -2.21 0.19 0.00 -0.61 0.00 0.00 39.78 37.60 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 -7.19 1.51 -0.29 3.41 2.96 -1.18 -4.96 118.68 112.94 1bvm s LEU 118 Ca 0.14 0.82 -0.28 0.00 -0.22 0.00 0.00 54.13 54.60 1bvm s LEU 118 Cb -0.07 -2.87 0.01 0.00 0.50 0.00 0.00 46.19 43.76 1bvm s LEU 118 CO 0.95 -3.28 0.99 -0.62 -1.32 0.00 0.00 176.35 173.07 1bvm s ASP 119 N -3.93 6.92 0.62 3.68 2.15 -1.26 -4.88 116.67 119.98 1bvm s ASP 119 Ca 0.68 1.06 0.23 0.00 0.43 0.00 0.00 52.55 54.95 1bvm s ASP 119 Cb -0.13 -2.51 1.03 0.00 -0.30 0.00 0.00 42.92 41.02 1bvm s ASP 119 CO 0.55 -0.75 1.52 0.11 -0.17 0.00 0.00 175.17 176.44 1bvm h LYS 120 N 7.90 0.00 0.00 4.34 6.56 -1.97 0.99 116.57 134.39 1bvm h LYS 120 Ca -0.21 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.38 1bvm h LYS 120 Cb 1.07 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 1bvm h LYS 120 CO 0.98 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 180.00 1bvm n LYS 121 N -3.18 0.14 0.00 3.15 5.02 -1.26 -0.13 118.16 121.90 1bvm n LYS 121 Ca 0.10 0.51 0.11 0.00 -2.02 0.00 0.00 58.31 57.01 1bvm n LYS 121 Cb 0.99 -1.86 -0.02 0.00 -0.02 0.00 0.00 35.03 34.12 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 -2.15 0.85 -0.76 4.39 3.02 0.34 -5.20 115.26 115.76 1bvm n ASN 122 Ca 0.00 -0.78 0.13 0.00 -0.03 0.00 0.00 54.58 53.90 1bvm n ASN 122 Cb 0.12 0.80 0.28 0.00 -0.61 0.00 0.00 39.78 40.37 1bvm n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64