#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bvm n LEU 2 N 0.00 -3.00 0.19 0.00 4.77 -1.26 -4.79 117.00 112.91 1bvm n LEU 2 Ca 0.00 0.76 0.18 0.00 -0.03 0.00 0.00 56.01 56.92 1bvm n LEU 2 Cb 0.00 2.92 0.80 0.00 -2.33 0.00 0.00 43.42 44.80 1bvm n LEU 2 CO 0.00 0.20 1.16 4.11 -1.33 0.00 0.00 177.39 181.53 1bvm h TRP 3 N 0.00 0.00 -0.47 -1.77 5.08 -2.01 -0.66 115.95 116.11 1bvm h TRP 3 Ca 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.94 1bvm h TRP 3 Cb 0.00 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.14 1bvm h TRP 3 CO 0.00 0.00 0.17 1.96 -1.28 0.00 0.00 178.44 179.29 1bvm h GLN 4 N 0.00 0.72 -0.99 0.12 4.20 -1.96 -2.66 115.11 114.54 1bvm h GLN 4 Ca 0.11 -0.15 0.08 0.00 0.06 0.00 0.00 58.65 58.75 1bvm h GLN 4 Cb 0.80 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.40 1bvm h GLN 4 CO -0.00 0.67 0.64 0.35 -0.67 0.00 0.00 178.83 179.82 1bvm h PHE 5 N 0.63 1.17 0.21 2.96 3.57 -1.49 -2.57 116.94 121.42 1bvm h PHE 5 Ca 0.15 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.70 1bvm h PHE 5 Cb 0.24 -0.38 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 1bvm h PHE 5 CO 0.01 0.58 -0.39 -0.97 -2.23 0.00 0.00 178.31 175.31 1bvm h ASN 6 N 1.13 -1.11 -1.13 0.41 -0.73 -1.51 -0.76 115.58 111.88 1bvm h ASN 6 Ca 0.44 0.11 0.33 0.00 1.87 0.00 0.00 56.30 59.05 1bvm h ASN 6 Cb 0.23 0.40 -0.11 0.00 0.27 0.00 0.00 38.32 39.11 1bvm h ASN 6 CO -0.19 -0.49 0.72 1.23 -0.37 0.00 0.00 177.43 178.33 1bvm h GLY 7 N -0.68 1.30 0.95 1.57 0.00 -1.39 0.15 103.07 104.98 1bvm h GLY 7 Ca 0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1bvm h GLY 7 CO -0.17 -0.25 0.06 -0.33 0.00 0.00 0.00 176.54 175.85 1bvm h MET 8 N 0.29 0.14 0.00 4.80 2.86 -1.01 -0.83 114.93 121.17 1bvm h MET 8 Ca 0.68 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.30 1bvm h MET 8 Cb 1.87 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.50 1bvm h MET 8 CO -0.36 0.15 0.00 0.82 1.06 0.00 0.00 176.91 178.58 1bvm h ILE 9 N 0.09 0.00 0.14 -1.22 2.04 -0.47 -2.67 117.51 115.42 1bvm h ILE 9 Ca 0.04 -0.18 -0.34 0.00 1.00 0.00 0.00 64.86 65.37 1bvm h ILE 9 Cb 0.05 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 1bvm h ILE 9 CO -0.01 0.00 -1.77 0.11 0.00 0.00 0.00 178.15 176.49 1bvm h LYS 10 N 0.00 0.30 -0.02 2.37 1.57 -0.67 -2.63 116.57 117.49 1bvm h LYS 10 Ca 0.00 -0.51 -0.00 0.00 -1.87 0.00 0.00 60.65 58.27 1bvm h LYS 10 Cb 0.23 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1bvm h LYS 10 CO 0.00 1.18 0.01 0.00 -0.57 0.00 0.00 179.45 180.07 1bvm h LYS 12 N -0.14 0.76 -2.92 0.00 1.57 -1.69 -3.38 116.57 110.77 1bvm h LYS 12 Ca 0.01 -0.48 -0.61 0.00 -1.87 0.00 0.00 60.65 57.69 1bvm h LYS 12 Cb 0.18 0.06 -0.41 0.00 0.08 0.00 0.00 32.23 32.14 1bvm h LYS 12 CO -0.00 1.11 -0.69 0.42 -0.57 0.00 0.00 179.45 179.72 1bvm s ILE 13 N -4.07 2.10 0.16 1.86 1.01 -0.99 -4.90 121.20 116.36 1bvm s ILE 13 Ca -0.09 -3.63 0.13 0.00 0.00 0.00 0.00 60.65 57.05 1bvm s ILE 13 Cb 0.10 -2.40 -0.00 0.00 0.01 0.00 0.00 42.46 40.17 1bvm s ILE 13 CO 0.87 -1.03 1.56 1.55 0.00 0.00 0.00 174.94 177.89 1bvm h PRO 14 N 5.68 0.00 -0.14 2.79 0.13 -1.49 -3.15 132.00 135.82 1bvm h PRO 14 Ca 0.14 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.17 1bvm h PRO 14 Cb 0.82 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 1bvm h PRO 14 CO 0.61 0.61 -0.34 0.66 -0.23 0.00 0.00 178.00 179.31 1bvm h SER 15 N 0.00 0.29 -3.83 1.44 4.64 -1.91 -3.42 113.55 110.76 1bvm h SER 15 Ca -0.01 -0.11 -0.68 0.00 -0.47 0.00 0.00 61.79 60.52 1bvm h SER 15 Cb 1.21 -0.08 -0.22 0.00 -0.31 0.00 0.00 62.40 62.99 1bvm h SER 15 CO 0.08 0.62 -0.74 -0.44 -0.87 0.00 0.00 176.83 175.48 1bvm s SER 16 N -6.87 4.25 0.23 4.97 0.01 -1.19 -5.11 113.70 110.00 1bvm s SER 16 Ca -0.05 -0.15 -0.08 0.00 1.31 0.00 0.00 55.95 56.98 1bvm s SER 16 Cb 0.14 -1.05 -0.06 0.00 0.21 0.00 0.00 66.02 65.26 1bvm s SER 16 CO 0.77 0.33 0.53 -1.61 0.41 0.00 0.00 173.24 173.67 1bvm s GLU 17 N -0.63 3.73 0.38 12.44 2.02 -1.26 -4.81 118.70 130.57 1bvm s GLU 17 Ca 0.09 0.16 0.28 0.00 0.02 0.00 0.00 54.97 55.51 1bvm s GLU 17 Cb -0.11 -2.67 1.01 0.00 0.10 0.00 0.00 34.13 32.45 1bvm s GLU 17 CO 0.01 0.31 1.81 -1.00 0.02 0.00 0.00 175.26 176.41 1bvm h PRO 18 N 2.36 0.00 0.00 0.39 0.13 -1.90 -2.70 132.00 130.28 1bvm h PRO 18 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1bvm h PRO 18 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1bvm h PRO 18 CO 0.69 0.00 -0.69 1.28 -0.23 0.00 0.00 178.00 179.05 1bvm n LEU 19 N -2.67 0.61 -1.82 1.56 4.32 -1.26 -3.41 117.00 114.34 1bvm n LEU 19 Ca 0.02 -0.03 -0.13 0.00 -0.02 0.00 0.00 56.01 55.86 1bvm n LEU 19 Cb 0.33 -0.18 0.06 0.00 -1.62 0.00 0.00 43.42 42.01 1bvm n LEU 19 CO 0.26 0.10 0.18 0.18 -1.22 0.00 0.00 177.39 176.89 1bvm n LEU 20 N -1.69 3.77 0.07 2.23 4.77 -1.03 -4.81 117.00 120.32 1bvm n LEU 20 Ca 0.04 -4.18 0.00 0.00 -0.03 0.00 0.00 56.01 51.84 1bvm n LEU 20 Cb 0.37 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1bvm n LEU 20 CO 0.37 1.72 0.00 0.47 -1.33 0.00 0.00 177.39 178.63 1bvm n ASP 21 N -0.72 -1.30 -3.52 -1.43 8.00 -1.16 -4.73 116.55 111.70 1bvm n ASP 21 Ca 0.31 0.34 -0.40 0.00 0.71 0.00 0.00 54.79 55.75 1bvm n ASP 21 Cb 0.90 1.47 0.02 0.00 -0.02 0.00 0.00 41.12 43.48 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 -2.76 2.87 -4.18 1.24 3.72 -1.22 -4.89 117.46 112.24 1bvm n PHE 22 Ca 0.00 -2.62 -0.25 0.00 -0.05 0.00 0.00 57.45 54.53 1bvm n PHE 22 Cb 0.00 -1.15 -0.17 0.00 -0.94 0.00 0.00 39.48 37.22 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 -1.45 1.81 -1.33 4.37 3.84 -1.26 -4.79 114.94 116.13 1bvm s ASN 23 Ca 0.41 -0.26 -0.10 0.00 0.21 0.00 0.00 52.86 53.12 1bvm s ASN 23 Cb 0.22 -0.75 0.00 0.00 -0.55 0.00 0.00 41.25 40.18 1bvm s ASN 23 CO -0.16 -0.06 0.51 -3.20 -2.79 0.00 0.00 177.10 171.39 1bvm n ASN 24 N 4.41 -1.96 -4.43 -4.21 5.15 -1.08 -4.85 115.26 108.30 1bvm n ASN 24 Ca -0.18 -1.07 -0.23 0.00 -0.60 0.00 0.00 54.58 52.50 1bvm n ASN 24 Cb 0.51 -2.82 -0.10 0.00 -0.53 0.00 0.00 39.78 36.83 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 -3.82 2.16 0.00 1.20 6.14 0.20 -3.43 117.35 119.79 1bvm s TYR 25 Ca 0.19 -0.39 0.00 0.00 0.64 0.00 0.00 57.07 57.51 1bvm s TYR 25 Cb -0.08 -0.97 0.00 0.00 0.42 0.00 0.00 41.96 41.33 1bvm s TYR 25 CO 0.90 0.60 0.00 0.41 0.64 0.00 0.00 175.55 178.10 1bvm n GLY 26 N -0.40 0.06 0.04 8.97 0.00 -1.25 -2.67 105.19 109.94 1bvm n GLY 26 Ca -0.07 -0.52 0.11 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.07 0.00 -1.56 0.00 4.01 -1.26 -0.29 117.16 116.00 1bvm n TYR 28 Ca 0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 1bvm n TYR 28 Cb 0.47 -0.74 -0.10 0.00 -0.31 0.00 0.00 39.34 38.66 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 6.41 -0.68 0.00 0.00 0.00 -1.26 0.59 105.19 110.24 1bvm n GLY 30 Ca 0.43 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 46.29 1bvm n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bvm n LEU 31 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.86 117.00 116.64 1bvm n LEU 31 Ca 0.00 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1bvm n LEU 31 Cb 0.00 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1bvm n LEU 31 CO 0.00 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.46 1bvm n GLY 32 N 0.10 0.76 0.00 -0.72 0.00 -1.25 -5.13 105.19 98.95 1bvm n GLY 32 Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.05 0.00 -0.02 0.00 0.61 -5.01 105.19 100.82 1bvm n GLY 33 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1bvm n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bvm n SER 34 N 0.00 0.00 0.00 1.61 2.88 -1.23 -4.93 113.62 111.95 1bvm n SER 34 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1bvm n SER 34 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1bvm n SER 34 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bvm n GLY 35 N -0.04 2.45 3.50 0.46 0.00 -1.26 -4.84 105.19 105.45 1bvm n GLY 35 Ca 0.00 -2.01 -0.45 0.00 0.00 0.00 0.00 46.02 43.56 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 -1.42 1.93 -0.75 2.61 -1.04 -1.26 -4.95 114.28 109.40 1bvm n THR 36 Ca 0.00 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.47 1bvm n THR 36 Cb 0.00 -0.58 0.03 0.00 -1.82 0.00 0.00 70.33 67.97 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 0.78 -0.97 -0.00 -2.82 -0.04 -1.26 -4.81 135.00 125.88 1bvm n PRO 37 Ca 0.13 -0.27 -0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1bvm n PRO 37 Cb 0.32 -0.23 -0.00 0.00 -0.04 0.00 0.00 33.50 33.54 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 -2.67 0.03 -2.86 0.52 0.24 -1.26 -4.96 118.33 107.37 1bvm n VAL 38 Ca 0.02 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1bvm n VAL 38 Cb 0.09 -0.94 0.00 0.00 -1.47 0.00 0.00 33.84 31.51 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 -2.06 0.00 -0.10 -1.34 2.03 -1.26 -5.02 116.55 108.79 1bvm n ASP 39 Ca -0.01 -0.70 -0.13 0.00 0.52 0.00 0.00 54.79 54.48 1bvm n ASP 39 Cb 0.51 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.88 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 0.00 0.77 0.22 1.67 5.19 -1.99 -2.20 116.42 120.08 1bvm h ASP 40 Ca 0.00 -0.45 -0.01 0.00 -0.62 0.00 0.00 57.03 55.95 1bvm h ASP 40 Cb 0.00 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.30 1bvm h ASP 40 CO 0.00 1.06 -0.11 0.25 -3.12 0.00 0.00 179.24 177.32 1bvm h LEU 41 N 0.49 -0.25 -1.09 1.55 5.85 -1.93 -2.26 115.31 117.66 1bvm h LEU 41 Ca 0.06 -0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.84 1bvm h LEU 41 Cb 0.81 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.84 1bvm h LEU 41 CO 0.07 -0.12 0.62 -0.78 -0.34 0.00 0.00 178.44 177.88 1bvm h ASP 42 N -0.37 0.89 -0.86 1.25 3.58 -1.94 0.13 116.42 119.11 1bvm h ASP 42 Ca -0.03 0.03 0.10 0.00 0.42 0.00 0.00 57.03 57.55 1bvm h ASP 42 Cb 0.28 -0.15 -0.06 0.00 1.72 0.00 0.00 39.33 41.12 1bvm h ASP 42 CO 0.05 0.51 0.56 0.03 -2.88 0.00 0.00 179.24 177.50 1bvm h ARG 43 N 0.98 0.80 -0.64 0.28 2.47 -0.87 -0.48 114.38 116.92 1bvm h ARG 43 Ca 0.46 -0.05 0.03 0.00 -1.26 0.00 0.00 59.98 59.16 1bvm h ARG 43 Cb 0.42 -0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 28.53 1bvm h ARG 43 CO -0.22 0.53 0.40 0.00 0.56 0.00 0.00 179.97 181.24 1bvm h GLN 46 N 0.23 0.69 -0.19 0.00 4.15 -0.80 0.20 115.11 119.40 1bvm h GLN 46 Ca 0.08 -0.04 -0.08 0.00 0.77 0.00 0.00 58.65 59.38 1bvm h GLN 46 Cb 0.10 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1bvm h GLN 46 CO -0.01 0.46 -0.21 1.15 -1.93 0.00 0.00 178.83 178.28 1bvm h THR 47 N 0.71 1.24 0.19 2.39 2.02 -0.54 -1.83 112.91 117.09 1bvm h THR 47 Ca 0.45 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1bvm h THR 47 Cb 0.55 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1bvm h THR 47 CO -0.32 0.34 -0.09 -0.74 0.37 0.00 0.00 175.52 175.08 1bvm h HIS 48 N 0.31 -0.24 -0.98 3.16 -0.00 0.80 -1.97 115.15 116.23 1bvm h HIS 48 Ca 0.05 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.51 1bvm h HIS 48 Cb 0.55 0.08 -0.07 0.00 -0.00 0.00 0.00 27.41 27.97 1bvm h HIS 48 CO 0.01 0.08 0.63 -0.44 -0.00 0.00 0.00 177.93 178.21 1bvm h ASP 49 N -0.56 0.96 0.08 3.26 3.32 -1.14 0.17 116.42 122.51 1bvm h ASP 49 Ca -0.03 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1bvm h ASP 49 Cb 0.42 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1bvm h ASP 49 CO 0.04 0.56 -0.07 0.78 -1.72 0.00 0.00 179.24 178.84 1bvm h ASN 50 N 1.06 0.00 0.16 6.45 2.35 -1.10 -1.86 115.58 122.64 1bvm h ASN 50 Ca 0.45 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 56.02 1bvm h ASN 50 Cb 0.33 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 1bvm h ASN 50 CO -0.21 0.07 -0.69 0.00 -1.65 0.00 0.00 177.43 174.95 1bvm h TYR 52 N 0.34 0.00 0.07 0.00 0.05 -0.95 -1.44 116.97 115.04 1bvm h TYR 52 Ca -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 1bvm h TYR 52 Cb 1.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.01 1bvm h TYR 52 CO 0.05 0.24 -0.03 0.87 -1.05 0.00 0.00 178.16 178.23 1bvm h LYS 53 N 0.00 -0.09 -0.93 4.88 1.79 -1.33 -2.51 116.57 118.38 1bvm h LYS 53 Ca -0.00 0.01 0.17 0.00 -2.18 0.00 0.00 60.65 58.64 1bvm h LYS 53 Cb 0.55 0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 31.14 1bvm h LYS 53 CO 0.03 0.49 0.59 1.96 -1.08 0.00 0.00 179.45 181.44 1bvm h GLN 54 N -0.80 0.64 -0.12 3.15 1.08 -1.31 0.33 115.11 118.07 1bvm h GLN 54 Ca -0.01 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.06 1bvm h GLN 54 Cb 0.62 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 1bvm h GLN 54 CO 0.02 0.43 -0.31 0.00 -0.95 0.00 0.00 178.83 178.01 1bvm h ALA 55 N 1.61 1.24 0.03 3.87 0.00 -1.22 -1.89 119.26 122.89 1bvm h ALA 55 Ca 0.49 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1bvm h ALA 55 Cb 0.85 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1bvm h ALA 55 CO -0.24 0.51 -0.01 0.87 0.00 0.00 0.00 179.25 180.38 1bvm h LYS 56 N 0.21 -0.04 -0.12 0.00 1.57 0.08 -3.02 116.57 115.26 1bvm h LYS 56 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1bvm h LYS 56 Cb 0.67 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1bvm h LYS 56 CO 0.05 0.39 0.03 0.87 -0.57 0.00 0.00 179.45 180.22 1bvm h LYS 57 N -0.48 0.16 -6.12 3.15 1.79 -1.26 -3.26 116.57 110.55 1bvm h LYS 57 Ca -0.00 -0.01 -0.76 0.00 -2.18 0.00 0.00 60.65 57.69 1bvm h LYS 57 Cb 0.45 -0.03 0.02 0.00 -1.58 0.00 0.00 32.23 31.08 1bvm h LYS 57 CO 0.01 0.15 0.81 1.28 -1.08 0.00 0.00 179.45 180.62 1bvm n LEU 58 N -4.47 2.05 -0.01 2.94 4.77 -0.72 -4.61 117.00 116.94 1bvm n LEU 58 Ca -0.01 1.10 -0.11 0.00 -0.03 0.00 0.00 56.01 56.96 1bvm n LEU 58 Cb 0.12 -1.09 -0.05 0.00 -2.33 0.00 0.00 43.42 40.07 1bvm n LEU 58 CO 0.35 -0.58 0.61 -0.78 -1.33 0.00 0.00 177.39 175.66 1bvm h ASP 59 N 6.51 -1.17 -1.08 -1.43 3.58 -1.88 1.33 116.42 122.29 1bvm h ASP 59 Ca -0.46 0.17 0.33 0.00 0.42 0.00 0.00 57.03 57.48 1bvm h ASP 59 Cb 1.33 0.49 -0.13 0.00 1.72 0.00 0.00 39.33 42.74 1bvm h ASP 59 CO 0.95 -0.39 0.65 0.77 -2.88 0.00 0.00 179.24 178.34 1bvm h SER 60 N -0.43 0.46 0.47 2.28 4.64 -1.94 0.31 113.55 119.35 1bvm h SER 60 Ca 0.10 0.15 -0.30 0.00 -0.47 0.00 0.00 61.79 61.27 1bvm h SER 60 Cb 0.59 0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 1bvm h SER 60 CO -0.40 -0.08 -1.57 0.00 -0.87 0.00 0.00 176.83 173.91 1bvm n LYS 62 N -3.36 0.85 -0.02 0.00 0.00 0.43 -2.78 118.16 113.28 1bvm n LYS 62 Ca -0.17 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.17 1bvm n LYS 62 Cb 1.04 -1.36 0.04 0.00 0.00 0.00 0.00 35.03 34.75 1bvm n LYS 62 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1bvm n VAL 63 N -0.86 1.26 0.00 3.15 3.14 0.58 -4.76 118.33 120.84 1bvm n VAL 63 Ca 0.15 -1.38 0.00 0.00 -2.96 0.00 0.00 64.34 60.15 1bvm n VAL 63 Cb 0.07 0.27 0.00 0.00 -1.06 0.00 0.00 33.84 33.12 1bvm n VAL 63 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1bvm n LEU 64 N -0.79 0.00 -0.68 6.55 4.77 -1.12 -4.98 117.00 120.76 1bvm n LEU 64 Ca 0.05 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.02 1bvm n LEU 64 Cb 0.38 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1bvm n LEU 64 CO 0.00 -0.36 0.26 0.52 -1.33 0.00 0.00 177.39 176.48 1bvm n VAL 65 N -2.17 0.00 -4.09 4.08 0.31 -1.26 -5.03 118.33 110.18 1bvm n VAL 65 Ca 0.00 -0.07 -0.47 0.00 -0.01 0.00 0.00 64.34 63.79 1bvm n VAL 65 Cb 0.00 0.26 0.02 0.00 -0.91 0.00 0.00 33.84 33.21 1bvm n VAL 65 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1bvm n ASP 66 N 0.03 -4.03 -2.79 4.52 8.00 -1.24 -4.90 116.55 116.14 1bvm n ASP 66 Ca -0.06 -1.30 0.02 0.00 0.71 0.00 0.00 54.79 54.16 1bvm n ASP 66 Cb 0.62 -1.55 0.01 0.00 -0.02 0.00 0.00 41.12 40.17 1bvm n ASP 66 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1bvm s ASN 67 N -3.55 -0.32 0.35 -2.24 3.84 -1.26 -5.01 114.94 106.76 1bvm s ASN 67 Ca 0.49 -0.14 0.27 0.00 0.21 0.00 0.00 52.86 53.68 1bvm s ASN 67 Cb -0.27 0.46 0.94 0.00 -0.55 0.00 0.00 41.25 41.83 1bvm s ASN 67 CO 0.96 -0.04 1.78 1.55 -2.79 0.00 0.00 177.10 178.57 1bvm h PRO 68 N 5.54 0.00 0.64 0.43 0.13 -1.93 -3.30 132.00 133.51 1bvm h PRO 68 Ca -0.04 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.06 1bvm h PRO 68 Cb 1.23 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.37 1bvm h PRO 68 CO -0.08 0.00 -0.31 1.88 -0.23 0.00 0.00 178.00 179.27 1bvm h TYR 69 N 0.00 -0.80 -0.22 1.56 0.05 -1.95 -2.68 116.97 112.94 1bvm h TYR 69 Ca 0.00 -0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.82 1bvm h TYR 69 Cb 0.59 0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.58 1bvm h TYR 69 CO 0.00 -0.45 0.36 0.00 -1.05 0.00 0.00 178.16 177.02 1bvm h THR 70 N -1.11 0.23 -0.33 -2.88 1.03 -1.87 -3.36 112.91 104.62 1bvm h THR 70 Ca -0.09 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.30 1bvm h THR 70 Cb 0.70 0.68 -0.00 0.00 -1.07 0.00 0.00 68.15 68.46 1bvm h THR 70 CO 0.14 0.00 0.03 0.21 -0.01 0.00 0.00 175.52 175.90 1bvm s ASN 71 N -5.01 3.85 -1.17 0.00 2.47 -1.01 -4.72 114.94 109.35 1bvm s ASN 71 Ca -0.04 -0.07 -0.22 0.00 0.42 0.00 0.00 52.86 52.95 1bvm s ASN 71 Cb 0.13 -2.56 -0.05 0.00 -1.45 0.00 0.00 41.25 37.32 1bvm s ASN 71 CO 0.44 -3.97 1.88 0.20 -3.72 0.00 0.00 177.10 171.94 1bvm s ASN 72 N 10.58 5.41 0.78 -4.21 0.01 -1.26 -4.48 114.94 121.77 1bvm s ASN 72 Ca 0.91 -1.69 -0.11 0.00 -0.71 0.00 0.00 52.86 51.27 1bvm s ASN 72 Cb -0.12 -2.58 0.06 0.00 0.41 0.00 0.00 41.25 39.02 1bvm s ASN 72 CO 0.09 -2.65 1.09 -0.72 -1.51 0.00 0.00 177.10 173.40 1bvm s TYR 73 N 9.51 2.56 0.33 2.20 -0.85 -1.26 -4.91 117.35 124.93 1bvm s TYR 73 Ca 0.65 1.54 0.08 0.00 -0.52 0.00 0.00 57.07 58.83 1bvm s TYR 73 Cb -0.01 -3.05 -0.04 0.00 0.38 0.00 0.00 41.96 39.24 1bvm s TYR 73 CO 0.10 -1.83 0.13 -1.12 -1.52 0.00 0.00 175.55 171.31 1bvm s SER 74 N -3.39 4.72 -0.06 -0.18 0.01 -1.26 -4.90 113.70 108.65 1bvm s SER 74 Ca 0.61 -0.73 -0.32 0.00 1.31 0.00 0.00 55.95 56.83 1bvm s SER 74 Cb -0.17 -0.78 0.13 0.00 0.21 0.00 0.00 66.02 65.41 1bvm s SER 74 CO 0.56 -0.26 1.37 -0.72 0.41 0.00 0.00 173.24 174.60 1bvm s TYR 75 N -2.40 -0.02 0.30 2.43 -0.85 -1.26 -1.77 117.35 113.79 1bvm s TYR 75 Ca 0.37 -0.03 0.06 0.00 -0.52 0.00 0.00 57.07 56.94 1bvm s TYR 75 Cb -0.03 0.52 -0.02 0.00 0.38 0.00 0.00 41.96 42.81 1bvm s TYR 75 CO 0.23 -0.14 0.22 0.45 -1.52 0.00 0.00 175.55 174.78 1bvm n SER 76 N -0.54 -0.21 -4.33 -0.18 2.88 0.71 -4.85 113.62 107.11 1bvm n SER 76 Ca -0.08 -2.88 -0.17 0.00 -1.33 0.00 0.00 58.87 54.40 1bvm n SER 76 Cb 0.63 1.32 -0.10 0.00 -0.75 0.00 0.00 64.21 65.30 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 -0.40 0.00 -3.90 0.00 7.64 -0.70 -4.86 113.62 111.39 1bvm n SER 78 Ca -0.06 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.55 1bvm n SER 78 Cb 0.63 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.83 1bvm n SER 78 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1bvm n ASN 79 N 0.00 -1.32 -3.88 6.43 3.02 -1.26 0.04 115.26 118.29 1bvm n ASN 79 Ca 0.00 -1.01 -0.30 0.00 -0.03 0.00 0.00 54.58 53.24 1bvm n ASN 79 Cb 0.00 -3.10 -0.05 0.00 -0.61 0.00 0.00 39.78 36.03 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 -2.91 -2.02 -4.17 6.41 5.03 -1.26 -4.88 115.26 111.46 1bvm n ASN 80 Ca -0.27 -0.70 -0.14 0.00 0.87 0.00 0.00 54.58 54.35 1bvm n ASN 80 Cb 0.67 -1.76 -0.11 0.00 -1.02 0.00 0.00 39.78 37.56 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 -6.53 0.82 -0.01 3.52 2.02 0.11 -4.35 118.70 114.27 1bvm s GLU 81 Ca 0.58 -1.16 -0.09 0.00 0.02 0.00 0.00 54.97 54.32 1bvm s GLU 81 Cb -0.33 -0.45 -0.05 0.00 0.10 0.00 0.00 34.13 33.40 1bvm s GLU 81 CO 0.71 0.06 0.29 0.42 0.02 0.00 0.00 175.26 176.76 1bvm s ILE 82 N -2.57 5.26 -0.62 -1.63 1.01 -1.26 -1.73 121.20 119.66 1bvm s ILE 82 Ca 0.05 0.38 0.02 0.00 0.00 0.00 0.00 60.65 61.10 1bvm s ILE 82 Cb -0.02 -3.57 0.16 0.00 0.01 0.00 0.00 42.46 39.03 1bvm s ILE 82 CO -0.01 0.47 0.41 -0.89 0.00 0.00 0.00 174.94 174.91 1bvm s THR 83 N -1.20 3.15 -0.02 2.92 2.01 0.55 -4.91 115.64 118.13 1bvm s THR 83 Ca 0.24 -3.45 -0.30 0.00 0.31 0.00 0.00 61.69 58.49 1bvm s THR 83 Cb -0.14 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 1bvm s THR 83 CO 0.13 -0.89 1.29 0.00 -0.69 0.00 0.00 174.62 174.46 1bvm n SER 85 N 5.19 2.10 0.24 0.00 2.88 -0.73 -4.84 113.62 118.46 1bvm n SER 85 Ca 0.12 1.16 0.15 0.00 -1.33 0.00 0.00 58.87 58.97 1bvm n SER 85 Cb 0.45 -1.35 0.56 0.00 -0.75 0.00 0.00 64.21 63.11 1bvm n SER 85 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1bvm h SER 86 N 3.30 0.00 -0.39 -3.46 4.64 -1.92 -2.96 113.55 112.77 1bvm h SER 86 Ca -0.44 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 61.00 1bvm h SER 86 Cb 1.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.38 1bvm h SER 86 CO 0.69 0.00 0.35 -0.33 -0.87 0.00 0.00 176.83 176.68 1bvm h GLU 87 N 0.00 0.00 -6.29 4.77 5.08 -1.97 -3.41 114.58 112.77 1bvm h GLU 87 Ca 0.00 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.76 1bvm h GLU 87 Cb 0.59 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.86 1bvm h GLU 87 CO 0.00 0.00 1.13 0.09 -1.00 0.00 0.00 179.01 179.23 1bvm n ASN 88 N -3.96 3.58 -2.94 1.42 3.02 -1.12 -4.94 115.26 110.32 1bvm n ASN 88 Ca 0.06 0.95 -0.14 0.00 -0.03 0.00 0.00 54.58 55.43 1bvm n ASN 88 Cb 0.53 -1.40 0.11 0.00 -0.61 0.00 0.00 39.78 38.41 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 6.88 -0.87 -0.34 6.41 6.94 -1.26 -3.75 115.26 129.26 1bvm n ASN 89 Ca 0.22 -0.98 0.24 0.00 -0.02 0.00 0.00 54.58 54.05 1bvm n ASN 89 Cb 0.32 -0.47 0.51 0.00 -2.36 0.00 0.00 39.78 37.78 1bvm n ASN 89 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1bvm h ALA 90 N -2.16 2.24 0.00 -2.53 0.00 -1.96 1.20 119.26 116.04 1bvm h ALA 90 Ca -0.19 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1bvm h ALA 90 Cb 0.57 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1bvm h ALA 90 CO 0.13 -0.69 -0.00 0.00 0.00 0.00 0.00 179.25 178.69 1bvm h GLU 92 N -1.00 0.94 -0.06 0.00 5.08 -1.69 -1.89 114.58 115.96 1bvm h GLU 92 Ca -0.00 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 1bvm h GLU 92 Cb 0.53 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1bvm h GLU 92 CO -0.00 0.72 -0.39 0.00 -1.00 0.00 0.00 179.01 178.34 1bvm h ALA 93 N 1.42 1.24 -0.38 3.43 0.00 0.14 -2.67 119.26 122.43 1bvm h ALA 93 Ca 0.23 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1bvm h ALA 93 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1bvm h ALA 93 CO -0.03 0.54 -0.16 0.35 0.00 0.00 0.00 179.25 179.94 1bvm h PHE 94 N 0.11 0.89 -0.53 0.00 3.57 -1.04 -2.71 116.94 117.23 1bvm h PHE 94 Ca 0.01 -0.22 -0.09 0.00 3.53 0.00 0.00 57.97 61.21 1bvm h PHE 94 Cb 0.74 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1bvm h PHE 94 CO 0.01 0.95 -0.02 0.82 -2.23 0.00 0.00 178.31 177.84 1bvm h ILE 95 N 0.58 1.26 -0.35 1.41 1.08 -1.33 -2.45 117.51 117.69 1bvm h ILE 95 Ca 0.09 -1.10 -0.03 0.00 -0.39 0.00 0.00 64.86 63.42 1bvm h ILE 95 Cb 0.71 0.87 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 1bvm h ILE 95 CO 0.05 0.39 0.08 0.00 -0.69 0.00 0.00 178.15 177.99 1bvm h ASN 97 N 0.51 0.00 -0.06 0.00 2.35 -1.14 -2.22 115.58 115.01 1bvm h ASN 97 Ca 0.12 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1bvm h ASN 97 Cb 0.20 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 1bvm h ASN 97 CO -0.00 0.63 -0.00 0.00 -1.65 0.00 0.00 177.43 176.41 1bvm h ASP 99 N -0.19 0.98 -0.11 0.00 5.19 -1.52 -2.72 116.42 118.05 1bvm h ASP 99 Ca 0.02 -0.35 -0.02 0.00 -0.62 0.00 0.00 57.03 56.05 1bvm h ASP 99 Cb 0.36 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.60 1bvm h ASP 99 CO 0.00 1.10 -0.03 -0.09 -3.12 0.00 0.00 179.24 177.11 1bvm h ARG 100 N 0.84 0.21 -0.36 3.56 2.43 -1.34 -2.26 114.38 117.46 1bvm h ARG 100 Ca 0.13 -0.08 0.10 0.00 -0.81 0.00 0.00 59.98 59.33 1bvm h ARG 100 Cb 0.66 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1bvm h ARG 100 CO 0.05 0.52 0.33 -0.91 -1.51 0.00 0.00 179.97 178.44 1bvm h ASN 101 N -0.12 0.00 0.08 -3.80 4.21 -0.38 0.45 115.58 116.02 1bvm h ASN 101 Ca 0.03 0.00 -0.23 0.00 1.21 0.00 0.00 56.30 57.31 1bvm h ASN 101 Cb 0.44 0.00 0.02 0.00 -1.12 0.00 0.00 38.32 37.67 1bvm h ASN 101 CO 0.01 0.00 -0.95 0.00 -1.29 0.00 0.00 177.43 175.20 1bvm h ALA 102 N 1.69 0.01 -0.13 -0.83 0.00 -1.15 -2.90 119.26 115.95 1bvm h ALA 102 Ca 0.17 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 1bvm h ALA 102 Cb 0.82 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1bvm h ALA 102 CO -0.00 0.52 -0.37 0.00 0.00 0.00 0.00 179.25 179.40 1bvm h ALA 103 N 0.26 1.14 -0.17 0.00 0.00 -0.51 -2.79 119.26 117.19 1bvm h ALA 103 Ca -0.14 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 1bvm h ALA 103 Cb 1.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 1bvm h ALA 103 CO 0.18 0.56 -0.45 0.82 0.00 0.00 0.00 179.25 180.37 1bvm h ILE 104 N 0.23 1.32 -0.24 0.00 2.04 -1.04 -3.03 117.51 116.80 1bvm h ILE 104 Ca 0.03 -1.63 -0.03 0.00 1.00 0.00 0.00 64.86 64.22 1bvm h ILE 104 Cb 0.76 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1bvm h ILE 104 CO 0.06 0.50 0.02 0.00 0.00 0.00 0.00 178.15 178.73 1bvm h PHE 106 N 0.19 0.71 0.00 0.00 0.04 -1.46 0.80 116.94 117.23 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 0.36 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.32 1bvm h PHE 106 CO 0.03 0.16 0.00 -1.13 -0.60 0.00 0.00 178.31 176.77 1bvm n SER 107 N -4.90 0.00 -0.00 2.17 3.41 -1.05 -3.07 113.62 110.18 1bvm n SER 107 Ca 0.16 -0.13 0.11 0.00 -0.26 0.00 0.00 58.87 58.75 1bvm n SER 107 Cb 0.42 -0.29 -0.14 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.29 0.34 -4.31 4.33 4.76 0.26 -4.96 118.16 117.29 1bvm n LYS 108 Ca 0.14 -0.10 -0.17 0.00 -2.87 0.00 0.00 58.31 55.31 1bvm n LYS 108 Cb 0.24 -1.51 -0.10 0.00 -1.84 0.00 0.00 35.03 31.82 1bvm n LYS 108 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1bvm s VAL 109 N -3.27 1.52 0.75 -0.18 -7.23 0.06 -5.06 120.40 107.00 1bvm s VAL 109 Ca -0.00 -2.13 -0.11 0.00 -1.81 0.00 0.00 61.98 57.93 1bvm s VAL 109 Cb 0.15 -1.95 0.04 0.00 0.56 0.00 0.00 36.38 35.18 1bvm s VAL 109 CO 0.89 -0.64 1.08 -2.16 -0.31 0.00 0.00 175.10 173.96 1bvm s PRO 110 N -3.63 2.48 -0.36 4.82 0.04 -1.26 -4.80 135.00 132.28 1bvm s PRO 110 Ca 0.20 0.99 -0.07 0.00 0.04 0.00 0.00 61.00 62.17 1bvm s PRO 110 Cb 0.00 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.66 1bvm s PRO 110 CO 0.04 -1.44 0.14 -0.47 0.04 0.00 0.00 177.00 175.32 1bvm s TYR 111 N -3.00 3.30 -0.30 0.56 5.04 -1.26 -4.55 117.35 117.14 1bvm s TYR 111 Ca 0.60 -1.53 -0.15 0.00 -2.44 0.00 0.00 57.07 53.55 1bvm s TYR 111 Cb -0.15 -2.49 -0.03 0.00 0.35 0.00 0.00 41.96 39.64 1bvm s TYR 111 CO 0.55 -0.77 0.37 -0.80 -1.34 0.00 0.00 175.55 173.56 1bvm s ASN 112 N 1.59 6.22 0.00 4.32 0.01 -1.26 -4.92 114.94 120.89 1bvm s ASN 112 Ca 0.00 0.06 0.29 0.00 -0.71 0.00 0.00 52.86 52.51 1bvm s ASN 112 Cb -0.20 -2.21 1.36 0.00 0.41 0.00 0.00 41.25 40.61 1bvm s ASN 112 CO 0.02 -0.26 1.97 2.29 -1.51 0.00 0.00 177.10 179.61 1bvm n LYS 113 N 5.38 0.32 -0.02 -0.60 -0.00 -1.26 -3.52 118.16 118.46 1bvm n LYS 113 Ca -0.09 -0.03 -0.14 0.00 -0.00 0.00 0.00 58.31 58.05 1bvm n LYS 113 Cb 0.50 -1.50 -0.03 0.00 -0.00 0.00 0.00 35.03 34.00 1bvm n LYS 113 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1bvm h GLU 114 N 0.07 0.73 -0.03 -1.58 5.08 -2.04 -2.80 114.58 114.02 1bvm h GLU 114 Ca 0.00 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1bvm h GLU 114 Cb 0.36 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1bvm h GLU 114 CO 0.00 1.16 0.00 0.72 -1.00 0.00 0.00 179.01 179.89 1bvm n HIS 115 N -3.94 0.03 -1.25 4.33 8.25 -1.23 -4.87 115.22 116.55 1bvm n HIS 115 Ca -0.05 -0.02 -0.31 0.00 -0.26 0.00 0.00 57.72 57.08 1bvm n HIS 115 Cb 0.69 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.90 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 1.95 -1.18 -0.41 2.36 -1.06 -3.81 119.74 115.62 1bvm s LYS 116 Ca 0.22 1.06 -0.31 0.00 -2.55 0.00 0.00 55.97 54.39 1bvm s LYS 116 Cb 0.11 -1.87 0.03 0.00 -1.05 0.00 0.00 37.83 35.05 1bvm s LYS 116 CO 0.17 -1.82 0.71 0.09 1.55 0.00 0.00 175.35 176.05 1bvm n ASN 117 N -3.63 -4.45 -4.90 1.43 3.02 -1.22 -4.90 115.26 100.61 1bvm n ASN 117 Ca 0.08 -1.23 -0.29 0.00 -0.03 0.00 0.00 54.58 53.12 1bvm n ASN 117 Cb 0.54 -2.05 0.08 0.00 -0.61 0.00 0.00 39.78 37.74 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 -7.15 2.60 -0.27 3.41 2.96 -1.25 -5.03 118.68 113.95 1bvm s LEU 118 Ca 0.47 0.79 -0.14 0.00 -0.22 0.00 0.00 54.13 55.03 1bvm s LEU 118 Cb -0.24 -3.34 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 1bvm s LEU 118 CO 0.95 -1.78 0.34 -0.62 -1.32 0.00 0.00 176.35 173.92 1bvm s ASP 119 N -4.54 6.23 0.50 3.68 -1.08 -1.26 -4.93 116.67 115.27 1bvm s ASP 119 Ca 0.61 0.25 0.28 0.00 -0.52 0.00 0.00 52.55 53.17 1bvm s ASP 119 Cb -0.11 -2.19 1.50 0.00 -1.46 0.00 0.00 42.92 40.65 1bvm s ASP 119 CO 0.49 -0.15 1.82 0.11 0.52 0.00 0.00 175.17 177.96 1bvm h LYS 120 N 8.13 0.00 0.00 4.34 1.57 -1.96 0.99 116.57 129.64 1bvm h LYS 120 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 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 0.63 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.14 1bvm n LYS 121 N -2.58 0.01 0.01 3.15 5.02 -1.26 -0.94 118.16 121.56 1bvm n LYS 121 Ca -0.02 0.28 0.11 0.00 -2.02 0.00 0.00 58.31 56.66 1bvm n LYS 121 Cb 0.20 -1.52 0.05 0.00 -0.02 0.00 0.00 35.03 33.75 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 -1.53 0.71 -0.81 4.39 3.02 0.34 -5.25 115.26 116.12 1bvm n ASN 122 Ca 0.03 -0.52 0.13 0.00 -0.03 0.00 0.00 54.58 54.19 1bvm n ASN 122 Cb 0.16 0.69 0.23 0.00 -0.61 0.00 0.00 39.78 40.25 1bvm n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64