#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bvm n LEU 2 N 0.00 0.00 -0.28 0.00 0.00 -1.26 -4.91 117.00 110.54 1bvm n LEU 2 Ca 0.00 0.00 0.33 0.00 0.00 0.00 0.00 56.01 56.34 1bvm n LEU 2 Cb 0.00 0.05 0.60 0.00 0.00 0.00 0.00 43.42 44.07 1bvm n LEU 2 CO 0.00 -0.05 1.30 4.11 0.00 0.00 0.00 177.39 182.76 1bvm h TRP 3 N 0.00 0.00 -0.74 1.96 5.08 -2.03 0.98 115.95 121.20 1bvm h TRP 3 Ca 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 1bvm h TRP 3 Cb 0.00 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.12 1bvm h TRP 3 CO 0.00 0.00 0.43 1.96 -1.28 0.00 0.00 178.44 179.55 1bvm h GLN 4 N 0.00 1.01 0.48 0.12 4.20 -1.98 -2.88 115.11 116.06 1bvm h GLN 4 Ca 0.55 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 59.15 1bvm h GLN 4 Cb 2.77 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 30.33 1bvm h GLN 4 CO -0.01 0.72 -0.38 0.35 -0.67 0.00 0.00 178.83 178.85 1bvm h PHE 5 N 1.02 -1.01 -1.09 2.96 3.57 0.61 -1.48 116.94 121.53 1bvm h PHE 5 Ca 0.26 -0.00 0.34 0.00 3.53 0.00 0.00 57.97 62.10 1bvm h PHE 5 Cb -0.02 0.38 -0.13 0.00 2.79 0.00 0.00 35.95 38.97 1bvm h PHE 5 CO 0.00 -0.55 0.66 -0.97 -2.23 0.00 0.00 178.31 175.23 1bvm h ASN 6 N -0.85 0.44 -0.61 0.41 -0.73 -1.61 0.71 115.58 113.36 1bvm h ASN 6 Ca -0.05 0.15 0.01 0.00 1.87 0.00 0.00 56.30 58.28 1bvm h ASN 6 Cb 0.72 0.11 -0.03 0.00 0.27 0.00 0.00 38.32 39.39 1bvm h ASN 6 CO -0.00 -0.09 0.40 1.23 -0.37 0.00 0.00 177.43 178.59 1bvm h GLY 7 N 0.29 0.85 0.93 1.57 0.00 -1.15 0.31 103.07 105.88 1bvm h GLY 7 Ca 0.72 -0.32 0.02 0.00 0.00 0.00 0.00 47.33 47.75 1bvm h GLY 7 CO -0.49 0.31 0.47 -0.33 0.00 0.00 0.00 176.54 176.49 1bvm h MET 8 N 0.82 0.90 0.00 4.80 2.86 0.77 -0.17 114.93 124.91 1bvm h MET 8 Ca 0.22 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.71 1bvm h MET 8 Cb -0.09 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.35 1bvm h MET 8 CO -0.05 0.60 -0.46 0.82 1.06 0.00 0.00 176.91 178.88 1bvm h ILE 9 N 0.93 1.04 -0.31 -1.22 2.04 -0.91 -2.90 117.51 116.17 1bvm h ILE 9 Ca 0.28 -1.76 -0.17 0.00 1.00 0.00 0.00 64.86 64.21 1bvm h ILE 9 Cb -0.04 2.03 -0.00 0.00 -0.74 0.00 0.00 36.82 38.07 1bvm h ILE 9 CO -0.09 0.45 -0.47 0.11 0.00 0.00 0.00 178.15 178.15 1bvm h LYS 10 N 0.00 0.84 -0.05 2.37 1.79 0.81 -1.21 116.57 121.11 1bvm h LYS 10 Ca -0.00 -0.49 -0.01 0.00 -2.18 0.00 0.00 60.65 57.97 1bvm h LYS 10 Cb 1.00 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1bvm h LYS 10 CO 0.06 1.12 0.00 0.00 -1.08 0.00 0.00 179.45 179.56 1bvm h LYS 12 N -0.19 0.24 -2.80 0.00 1.79 -1.53 -3.37 116.57 110.71 1bvm h LYS 12 Ca 0.02 -0.07 -0.60 0.00 -2.18 0.00 0.00 60.65 57.82 1bvm h LYS 12 Cb 0.31 -0.03 -0.40 0.00 -1.58 0.00 0.00 32.23 30.54 1bvm h LYS 12 CO 0.00 0.43 -0.79 0.42 -1.08 0.00 0.00 179.45 178.44 1bvm s ILE 13 N -4.58 1.02 -0.39 1.86 1.01 -0.46 -4.93 121.20 114.73 1bvm s ILE 13 Ca -0.05 -2.45 0.25 0.00 0.00 0.00 0.00 60.65 58.40 1bvm s ILE 13 Cb 0.15 -1.71 0.34 0.00 0.01 0.00 0.00 42.46 41.25 1bvm s ILE 13 CO 0.74 -0.97 1.69 1.55 0.00 0.00 0.00 174.94 177.95 1bvm h PRO 14 N 6.58 0.00 -0.01 2.79 0.13 -1.57 -3.09 132.00 136.83 1bvm h PRO 14 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1bvm h PRO 14 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1bvm h PRO 14 CO 0.42 0.00 -0.03 -1.13 -0.23 0.00 0.00 178.00 177.04 1bvm n SER 15 N -3.00 0.63 -3.56 1.44 3.41 -1.26 -4.86 113.62 106.43 1bvm n SER 15 Ca 0.04 -1.06 -0.16 0.00 -0.26 0.00 0.00 58.87 57.42 1bvm n SER 15 Cb 0.48 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.35 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 -2.12 -0.67 0.17 4.04 0.15 -1.17 -5.17 113.70 108.93 1bvm s SER 16 Ca 0.40 0.92 0.08 0.00 0.70 0.00 0.00 55.95 58.05 1bvm s SER 16 Cb 0.21 0.80 -0.04 0.00 -1.71 0.00 0.00 66.02 65.28 1bvm s SER 16 CO 0.38 -0.49 -0.07 -1.61 1.20 0.00 0.00 173.24 172.65 1bvm s GLU 17 N -0.72 2.15 -0.04 5.44 2.02 -1.26 -4.72 118.70 121.57 1bvm s GLU 17 Ca -0.07 -1.20 -0.26 0.00 0.02 0.00 0.00 54.97 53.46 1bvm s GLU 17 Cb -0.02 -2.23 -0.21 0.00 0.10 0.00 0.00 34.13 31.78 1bvm s GLU 17 CO 0.07 0.45 1.17 -1.00 0.02 0.00 0.00 175.26 175.96 1bvm h PRO 18 N 2.94 0.04 0.00 0.39 0.13 -1.90 -2.46 132.00 131.14 1bvm h PRO 18 Ca -0.47 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1bvm h PRO 18 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1bvm h PRO 18 CO 0.55 0.63 0.00 -0.07 -0.23 0.00 0.00 178.00 178.88 1bvm h LEU 19 N -0.55 0.00 -3.14 1.56 -0.00 -1.96 0.69 115.31 111.91 1bvm h LEU 19 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 1bvm h LEU 19 Cb 0.63 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.26 1bvm h LEU 19 CO 0.01 0.00 -0.14 0.18 -0.00 0.00 0.00 178.44 178.48 1bvm n LEU 20 N -2.38 3.17 0.08 1.67 4.77 -1.13 -4.57 117.00 118.62 1bvm n LEU 20 Ca -0.02 -3.44 0.00 0.00 -0.03 0.00 0.00 56.01 52.52 1bvm n LEU 20 Cb 0.05 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1bvm n LEU 20 CO 0.11 1.01 0.00 -0.67 -1.33 0.00 0.00 177.39 176.51 1bvm n ASP 21 N -1.10 -1.46 -0.04 -1.43 -0.08 -0.25 -4.76 116.55 107.42 1bvm n ASP 21 Ca 0.22 0.43 0.04 0.00 -1.51 0.00 0.00 54.79 53.97 1bvm n ASP 21 Cb 0.80 1.59 0.25 0.00 2.34 0.00 0.00 41.12 46.10 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 -2.76 0.02 -1.88 -0.67 3.72 0.21 -4.88 117.46 111.22 1bvm n PHE 22 Ca 0.00 -0.01 -0.40 0.00 -0.05 0.00 0.00 57.45 56.99 1bvm n PHE 22 Cb 0.00 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 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 -1.27 6.02 -0.53 4.37 2.20 0.22 -3.71 114.94 122.24 1bvm s ASN 23 Ca 0.14 2.84 -0.09 0.00 -0.94 0.00 0.00 52.86 54.80 1bvm s ASN 23 Cb 0.06 -2.65 0.01 0.00 -2.00 0.00 0.00 41.25 36.68 1bvm s ASN 23 CO 0.11 -1.07 0.47 0.59 -2.94 0.00 0.00 177.10 174.25 1bvm n ASN 24 N -0.08 -3.74 -4.13 3.54 5.03 -1.26 -4.67 115.26 109.95 1bvm n ASN 24 Ca 0.05 -0.55 -0.11 0.00 0.87 0.00 0.00 54.58 54.84 1bvm n ASN 24 Cb 0.42 -1.19 -0.10 0.00 -1.02 0.00 0.00 39.78 37.89 1bvm n ASN 24 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1bvm s TYR 25 N -2.23 0.79 0.00 3.10 5.04 -1.24 -1.44 117.35 121.36 1bvm s TYR 25 Ca 0.09 -0.84 0.00 0.00 -2.44 0.00 0.00 57.07 53.88 1bvm s TYR 25 Cb -0.01 -0.47 0.00 0.00 0.35 0.00 0.00 41.96 41.83 1bvm s TYR 25 CO 0.67 -0.17 0.00 0.41 -1.34 0.00 0.00 175.55 175.12 1bvm n GLY 26 N 0.31 -0.34 0.69 8.97 0.00 -1.25 -3.13 105.19 110.44 1bvm n GLY 26 Ca -0.15 -0.67 0.08 0.00 0.00 0.00 0.00 46.02 45.29 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 0.89 0.00 -1.30 0.00 4.01 -1.26 -0.42 117.16 119.08 1bvm n TYR 28 Ca 0.11 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.54 1bvm n TYR 28 Cb 0.42 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.54 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 -1.07 0.91 0.00 0.00 0.00 -1.26 -4.19 105.19 99.58 1bvm n GLY 30 Ca 0.09 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 0.41 0.00 0.99 4.77 -1.26 -4.97 117.00 116.94 1bvm n LEU 31 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1bvm n LEU 31 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1bvm n LEU 31 CO 0.00 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 1bvm n GLY 32 N 1.67 2.02 0.51 -0.72 0.00 -1.26 -5.12 105.19 102.28 1bvm n GLY 32 Ca 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 4.93 -2.65 0.00 -0.02 0.00 -1.26 -4.50 105.19 101.69 1bvm n GLY 33 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.95 0.00 0.00 1.61 2.88 0.44 -4.73 113.62 110.88 1bvm n SER 34 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1bvm n SER 34 Cb 0.24 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.70 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 -0.12 1.57 3.48 0.46 0.00 -1.26 -4.75 105.19 104.57 1bvm n GLY 35 Ca 0.00 -2.16 -0.48 0.00 0.00 0.00 0.00 46.02 43.38 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 -1.26 1.69 -1.10 2.61 -1.04 -1.26 -4.78 114.28 109.14 1bvm n THR 36 Ca 0.00 -0.42 -0.28 0.00 -2.04 0.00 0.00 64.05 61.31 1bvm n THR 36 Cb 0.00 -0.39 0.23 0.00 -1.82 0.00 0.00 70.33 68.35 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 1.06 -2.81 0.00 -2.82 -0.04 -1.26 -4.61 135.00 124.51 1bvm n PRO 37 Ca 0.15 -1.65 0.00 0.00 -0.04 0.00 0.00 63.50 61.96 1bvm n PRO 37 Cb 0.25 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 1bvm n PRO 37 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1bvm n VAL 38 N -4.60 0.00 -3.40 0.52 0.24 -1.26 -4.92 118.33 104.91 1bvm n VAL 38 Ca 0.14 -0.02 -0.02 0.00 -2.04 0.00 0.00 64.34 62.40 1bvm n VAL 38 Cb 0.55 0.47 0.01 0.00 -1.47 0.00 0.00 33.84 33.40 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 -1.31 -0.67 0.07 -1.34 2.03 -1.26 -5.01 116.55 109.06 1bvm n ASP 39 Ca 0.00 -1.42 -0.03 0.00 0.52 0.00 0.00 54.79 53.86 1bvm n ASP 39 Cb 0.00 1.11 0.21 0.00 -0.72 0.00 0.00 41.12 41.72 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 0.65 0.31 -0.11 1.67 5.19 -1.99 -2.87 116.42 119.27 1bvm h ASP 40 Ca -0.10 -0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.17 1bvm h ASP 40 Cb 0.40 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.82 1bvm h ASP 40 CO 0.13 0.69 0.03 0.25 -3.12 0.00 0.00 179.24 177.22 1bvm h LEU 41 N 0.25 0.16 -1.32 1.55 5.85 -1.91 -2.42 115.31 117.47 1bvm h LEU 41 Ca 0.02 -0.20 0.12 0.00 0.84 0.00 0.00 57.88 58.66 1bvm h LEU 41 Cb 0.82 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 1bvm h LEU 41 CO 0.07 0.32 0.55 -0.78 -0.34 0.00 0.00 178.44 178.25 1bvm h ASP 42 N -0.01 0.66 -0.74 1.25 3.58 -1.90 0.99 116.42 120.24 1bvm h ASP 42 Ca 0.03 0.03 0.05 0.00 0.42 0.00 0.00 57.03 57.56 1bvm h ASP 42 Cb 0.22 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.11 1bvm h ASP 42 CO -0.00 0.37 0.49 0.03 -2.88 0.00 0.00 179.24 177.25 1bvm h ARG 43 N 0.72 0.80 -0.28 0.28 2.47 -1.21 -0.90 114.38 116.26 1bvm h ARG 43 Ca 0.40 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 59.07 1bvm h ARG 43 Cb 0.56 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 1bvm h ARG 43 CO -0.17 0.53 0.15 0.00 0.56 0.00 0.00 179.97 181.05 1bvm h GLN 46 N 0.26 0.27 0.04 0.00 4.15 -0.95 0.35 115.11 119.23 1bvm h GLN 46 Ca 0.08 -0.02 -0.22 0.00 0.77 0.00 0.00 58.65 59.27 1bvm h GLN 46 Cb 0.16 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1bvm h GLN 46 CO -0.01 0.18 -1.01 1.15 -1.93 0.00 0.00 178.83 177.21 1bvm h THR 47 N 0.28 1.56 -0.69 2.39 2.02 -0.56 -3.04 112.91 114.87 1bvm h THR 47 Ca 0.48 -2.98 0.08 0.00 0.77 0.00 0.00 66.41 64.76 1bvm h THR 47 Cb 1.42 2.71 -0.06 0.00 -1.74 0.00 0.00 68.15 70.47 1bvm h THR 47 CO -0.14 0.86 0.36 -0.74 0.37 0.00 0.00 175.52 176.23 1bvm h HIS 48 N 0.06 0.65 -0.36 3.16 -0.00 0.77 -0.22 115.15 119.21 1bvm h HIS 48 Ca -0.06 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.30 1bvm h HIS 48 Cb 1.71 -0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 28.92 1bvm h HIS 48 CO 0.03 0.26 0.05 -0.44 -0.00 0.00 0.00 177.93 177.83 1bvm h ASP 49 N 0.63 0.57 -0.20 3.26 3.32 -1.51 -2.29 116.42 120.20 1bvm h ASP 49 Ca 0.33 -0.27 0.06 0.00 0.02 0.00 0.00 57.03 57.17 1bvm h ASP 49 Cb 0.30 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1bvm h ASP 49 CO -0.24 0.69 0.18 0.78 -1.72 0.00 0.00 179.24 178.94 1bvm h ASN 50 N 0.43 0.00 -0.05 6.45 2.35 -1.10 -1.36 115.58 122.30 1bvm h ASN 50 Ca 0.11 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.62 1bvm h ASN 50 Cb 0.37 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.76 1bvm h ASN 50 CO 0.01 0.00 -0.90 0.00 -1.65 0.00 0.00 177.43 174.89 1bvm h TYR 52 N 0.38 0.00 0.15 0.00 -1.99 -0.99 -1.91 116.97 112.61 1bvm h TYR 52 Ca -0.10 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.62 1bvm h TYR 52 Cb 1.55 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.28 1bvm h TYR 52 CO 0.10 0.08 -0.07 0.87 -0.00 0.00 0.00 178.16 179.15 1bvm h LYS 53 N 0.00 -0.19 -1.08 4.88 1.79 -1.40 -2.98 116.57 117.59 1bvm h LYS 53 Ca -0.00 0.01 0.29 0.00 -2.18 0.00 0.00 60.65 58.78 1bvm h LYS 53 Cb 0.18 0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 30.80 1bvm h LYS 53 CO 0.01 0.25 0.73 1.96 -1.08 0.00 0.00 179.45 181.31 1bvm h GLN 54 N -0.89 0.24 -0.72 3.15 4.20 -1.19 0.54 115.11 120.44 1bvm h GLN 54 Ca -0.02 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1bvm h GLN 54 Cb 0.52 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 1bvm h GLN 54 CO 0.03 0.16 0.25 0.00 -0.67 0.00 0.00 178.83 178.60 1bvm h ALA 55 N 1.56 0.94 -0.60 3.87 0.00 -1.26 -2.62 119.26 121.16 1bvm h ALA 55 Ca 0.58 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 1bvm h ALA 55 Cb 1.77 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1bvm h ALA 55 CO -0.20 0.60 0.22 0.87 0.00 0.00 0.00 179.25 180.74 1bvm h LYS 56 N 1.05 0.90 -0.14 0.00 1.57 0.23 -2.56 116.57 117.62 1bvm h LYS 56 Ca 0.23 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1bvm h LYS 56 Cb 0.27 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1bvm h LYS 56 CO -0.01 0.79 -0.02 0.87 -0.57 0.00 0.00 179.45 180.51 1bvm h LYS 57 N 0.83 0.20 -6.51 3.15 1.57 -1.22 -3.30 116.57 111.29 1bvm h LYS 57 Ca 0.20 -0.03 -0.60 0.00 -1.87 0.00 0.00 60.65 58.35 1bvm h LYS 57 Cb 0.23 -0.04 0.10 0.00 0.08 0.00 0.00 32.23 32.61 1bvm h LYS 57 CO -0.01 0.24 0.32 1.28 -0.57 0.00 0.00 179.45 180.70 1bvm n LEU 58 N -4.40 2.29 0.18 2.94 4.77 -0.96 -4.74 117.00 117.08 1bvm n LEU 58 Ca -0.01 1.17 -0.12 0.00 -0.03 0.00 0.00 56.01 57.02 1bvm n LEU 58 Cb 0.17 -1.33 -0.07 0.00 -2.33 0.00 0.00 43.42 39.86 1bvm n LEU 58 CO 0.36 -1.05 0.52 -0.78 -1.33 0.00 0.00 177.39 175.11 1bvm h ASP 59 N 2.83 -0.94 -0.92 -1.43 3.58 -1.87 0.18 116.42 117.85 1bvm h ASP 59 Ca -0.42 0.08 0.18 0.00 0.42 0.00 0.00 57.03 57.29 1bvm h ASP 59 Cb 1.32 0.32 -0.17 0.00 1.72 0.00 0.00 39.33 42.51 1bvm h ASP 59 CO 0.66 -0.43 -0.23 0.28 -2.88 0.00 0.00 179.24 176.63 1bvm h SER 60 N -0.65 -0.87 -0.20 2.28 0.02 -1.93 1.10 113.55 113.31 1bvm h SER 60 Ca -0.04 0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 1bvm h SER 60 Cb 0.57 0.57 -0.02 0.00 0.14 0.00 0.00 62.40 63.67 1bvm h SER 60 CO -0.06 -0.30 -0.04 0.00 -1.14 0.00 0.00 176.83 175.29 1bvm h LYS 62 N 0.48 0.32 -2.05 0.00 3.64 0.44 -3.02 116.57 116.37 1bvm h LYS 62 Ca 0.10 -0.02 -0.62 0.00 -1.27 0.00 0.00 60.65 58.84 1bvm h LYS 62 Cb 0.37 -0.07 -0.40 0.00 -0.41 0.00 0.00 32.23 31.72 1bvm h LYS 62 CO 0.02 0.21 -0.45 1.55 -2.27 0.00 0.00 179.45 178.51 1bvm n VAL 63 N -4.49 3.17 0.00 2.00 3.14 -0.87 -4.75 118.33 116.52 1bvm n VAL 63 Ca 0.02 -5.38 0.00 0.00 -2.96 0.00 0.00 64.34 56.02 1bvm n VAL 63 Cb 0.14 -1.37 0.00 0.00 -1.06 0.00 0.00 33.84 31.55 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 -0.31 0.00 -0.64 6.55 4.77 -1.14 -4.99 117.00 121.24 1bvm n LEU 64 Ca 0.36 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.33 1bvm n LEU 64 Cb 0.45 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.53 1bvm n LEU 64 CO 0.36 -0.29 0.26 0.52 -1.33 0.00 0.00 177.39 176.91 1bvm n VAL 65 N -1.88 0.00 -3.91 4.08 0.31 -1.26 -5.01 118.33 110.66 1bvm n VAL 65 Ca 0.00 -0.05 -0.24 0.00 -0.01 0.00 0.00 64.34 64.04 1bvm n VAL 65 Cb 0.00 0.22 -0.07 0.00 -0.91 0.00 0.00 33.84 33.07 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 0.02 0.60 -3.15 4.52 8.00 -1.26 -4.84 116.55 120.44 1bvm n ASP 66 Ca -0.05 -0.99 0.05 0.00 0.71 0.00 0.00 54.79 54.51 1bvm n ASP 66 Cb 0.60 -1.23 -0.00 0.00 -0.02 0.00 0.00 41.12 40.46 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 -4.07 -0.47 0.00 -2.24 3.84 -1.26 -5.00 114.94 105.73 1bvm s ASN 67 Ca 0.01 0.11 0.00 0.00 0.21 0.00 0.00 52.86 53.19 1bvm s ASN 67 Cb -0.01 1.32 0.00 0.00 -0.55 0.00 0.00 41.25 42.01 1bvm s ASN 67 CO 0.77 -0.09 0.90 -0.81 -2.79 0.00 0.00 177.10 175.09 1bvm n PRO 68 N 5.21 0.90 -0.05 0.43 -0.04 -1.26 -3.96 135.00 136.23 1bvm n PRO 68 Ca 0.05 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.47 1bvm n PRO 68 Cb 0.57 -1.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.01 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 -0.50 0.34 0.30 0.54 4.01 -1.26 -4.27 117.16 116.32 1bvm n TYR 69 Ca 0.00 0.15 0.15 0.00 -0.16 0.00 0.00 57.90 58.04 1bvm n TYR 69 Cb 0.00 -0.47 0.80 0.00 -0.31 0.00 0.00 39.34 39.36 1bvm n TYR 69 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bvm h THR 70 N -0.65 0.00 -1.65 -0.72 1.03 -1.91 -3.23 112.91 105.78 1bvm h THR 70 Ca 0.00 0.00 -0.46 0.00 -0.01 0.00 0.00 66.41 65.94 1bvm h THR 70 Cb 0.47 0.65 -0.05 0.00 -1.07 0.00 0.00 68.15 68.16 1bvm h THR 70 CO 0.00 0.00 1.17 0.21 -0.01 0.00 0.00 175.52 176.89 1bvm s ASN 71 N -4.37 5.41 -0.14 0.00 2.47 -1.25 -4.79 114.94 112.28 1bvm s ASN 71 Ca -0.03 -0.13 -0.15 0.00 0.42 0.00 0.00 52.86 52.97 1bvm s ASN 71 Cb 0.08 -2.54 -0.05 0.00 -1.45 0.00 0.00 41.25 37.30 1bvm s ASN 71 CO 0.27 -2.36 0.36 0.20 -3.72 0.00 0.00 177.10 171.85 1bvm s ASN 72 N 7.38 6.55 0.19 -4.21 -0.87 -1.26 -4.96 114.94 117.75 1bvm s ASN 72 Ca 0.63 0.64 0.07 0.00 -1.57 0.00 0.00 52.86 52.63 1bvm s ASN 72 Cb -0.10 -2.22 -0.04 0.00 -0.02 0.00 0.00 41.25 38.87 1bvm s ASN 72 CO 0.13 0.08 0.07 -0.72 -2.57 0.00 0.00 177.10 174.08 1bvm s TYR 73 N 0.42 2.96 -0.03 2.20 -0.85 -1.26 -5.11 117.35 115.67 1bvm s TYR 73 Ca 0.20 -0.10 -0.10 0.00 -0.52 0.00 0.00 57.07 56.55 1bvm s TYR 73 Cb -0.14 -1.41 -0.05 0.00 0.38 0.00 0.00 41.96 40.74 1bvm s TYR 73 CO 0.07 0.53 0.29 -1.12 -1.52 0.00 0.00 175.55 173.80 1bvm s SER 74 N -3.18 6.60 0.02 -0.18 0.01 -1.26 -5.04 113.70 110.67 1bvm s SER 74 Ca 0.30 0.71 -0.00 0.00 1.31 0.00 0.00 55.95 58.26 1bvm s SER 74 Cb -0.09 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 63.99 1bvm s SER 74 CO 0.21 0.32 0.03 0.00 0.41 0.00 0.00 173.24 174.22 1bvm n TYR 75 N 1.65 -0.59 -3.70 2.43 4.11 -1.26 -1.31 117.16 118.49 1bvm n TYR 75 Ca -0.15 -0.13 -0.07 0.00 -0.00 0.00 0.00 57.90 57.55 1bvm n TYR 75 Cb 0.53 0.04 -0.02 0.00 -0.00 0.00 0.00 39.34 39.89 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 -1.13 -0.29 0.34 9.48 0.01 0.75 -4.89 113.70 117.98 1bvm s SER 76 Ca 0.02 -0.35 0.09 0.00 1.31 0.00 0.00 55.95 57.01 1bvm s SER 76 Cb -0.00 0.57 -0.07 0.00 0.21 0.00 0.00 66.02 66.73 1bvm s SER 76 CO 0.01 -1.02 -0.08 0.00 0.41 0.00 0.00 173.24 172.56 1bvm n SER 78 N -0.79 0.00 -4.26 0.00 3.41 -0.83 -4.87 113.62 106.28 1bvm n SER 78 Ca -0.05 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.22 1bvm n SER 78 Cb 0.64 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.52 1bvm n SER 78 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1bvm n ASN 79 N 0.00 -0.15 -4.35 4.04 3.02 -1.26 0.14 115.26 116.70 1bvm n ASN 79 Ca 0.00 -1.28 -0.39 0.00 -0.03 0.00 0.00 54.58 52.88 1bvm n ASN 79 Cb 0.00 -1.66 -0.05 0.00 -0.61 0.00 0.00 39.78 37.46 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 -2.74 -2.77 -4.16 6.41 5.03 -1.26 -4.90 115.26 110.86 1bvm n ASN 80 Ca -0.28 -1.10 -0.12 0.00 0.87 0.00 0.00 54.58 53.94 1bvm n ASN 80 Cb 0.67 -2.31 -0.10 0.00 -1.02 0.00 0.00 39.78 37.02 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 -7.06 0.82 -0.15 3.52 2.02 0.38 -4.71 118.70 113.52 1bvm s GLU 81 Ca 0.79 -1.22 -0.07 0.00 0.02 0.00 0.00 54.97 54.49 1bvm s GLU 81 Cb -0.44 -0.35 -0.04 0.00 0.10 0.00 0.00 34.13 33.40 1bvm s GLU 81 CO 0.97 0.03 0.09 0.42 0.02 0.00 0.00 175.26 176.79 1bvm s ILE 82 N -2.95 5.09 -0.16 -1.63 1.01 -1.26 -1.97 121.20 119.33 1bvm s ILE 82 Ca 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.77 1bvm s ILE 82 Cb 0.01 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 1bvm s ILE 82 CO -0.02 0.54 -0.09 -0.89 0.00 0.00 0.00 174.94 174.48 1bvm s THR 83 N -0.33 3.34 -0.06 2.92 2.01 0.59 -4.92 115.64 119.18 1bvm s THR 83 Ca 0.10 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.60 1bvm s THR 83 Cb -0.12 -2.45 -0.00 0.00 0.01 0.00 0.00 72.50 69.94 1bvm s THR 83 CO 0.01 0.49 -0.19 0.00 -0.69 0.00 0.00 174.62 174.25 1bvm n SER 85 N 3.35 2.31 0.30 0.00 3.41 -0.42 -4.77 113.62 117.79 1bvm n SER 85 Ca -0.19 0.80 0.16 0.00 -0.26 0.00 0.00 58.87 59.38 1bvm n SER 85 Cb 0.53 -1.19 0.95 0.00 -0.26 0.00 0.00 64.21 64.23 1bvm n SER 85 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1bvm h SER 86 N 9.44 0.00 -0.14 4.04 4.64 -1.97 -1.13 113.55 128.42 1bvm h SER 86 Ca -0.37 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.99 1bvm h SER 86 Cb 1.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.41 1bvm h SER 86 CO 0.99 0.01 0.21 -0.33 -0.87 0.00 0.00 176.83 176.83 1bvm h GLU 87 N 0.00 0.00 -6.11 4.77 5.08 -1.99 -3.42 114.58 112.91 1bvm h GLU 87 Ca -0.00 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.61 1bvm h GLU 87 Cb 0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1bvm h GLU 87 CO 0.00 0.00 0.95 0.09 -1.00 0.00 0.00 179.01 179.05 1bvm n ASN 88 N -3.57 2.21 -3.04 1.42 3.02 -0.43 -4.91 115.26 109.96 1bvm n ASN 88 Ca 0.01 1.02 -0.13 0.00 -0.03 0.00 0.00 54.58 55.45 1bvm n ASN 88 Cb 0.31 -1.12 0.12 0.00 -0.61 0.00 0.00 39.78 38.49 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 5.71 -2.38 -0.13 6.41 0.23 -1.26 -3.89 115.26 119.95 1bvm n ASN 89 Ca 0.29 -0.53 -0.07 0.00 -0.53 0.00 0.00 54.58 53.74 1bvm n ASN 89 Cb 0.11 -0.43 -0.01 0.00 -2.08 0.00 0.00 39.78 37.37 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 -2.56 -0.18 -0.12 -2.53 0.00 -1.97 0.46 119.26 112.36 1bvm h ALA 90 Ca -0.17 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1bvm h ALA 90 Cb 0.55 0.73 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1bvm h ALA 90 CO 0.11 -0.73 0.03 0.00 0.00 0.00 0.00 179.25 178.65 1bvm h GLU 92 N -0.02 0.81 -0.05 0.00 5.08 -1.69 -0.70 114.58 118.02 1bvm h GLU 92 Ca 0.04 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 1bvm h GLU 92 Cb 0.27 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1bvm h GLU 92 CO 0.00 0.54 -0.81 0.00 -1.00 0.00 0.00 179.01 177.74 1bvm h ALA 93 N 1.61 0.50 -0.36 3.43 0.00 0.08 -2.98 119.26 121.54 1bvm h ALA 93 Ca 0.23 -0.65 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 1bvm h ALA 93 Cb -0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1bvm h ALA 93 CO -0.05 0.78 -0.28 0.35 0.00 0.00 0.00 179.25 180.05 1bvm h PHE 94 N 0.26 0.97 -0.97 0.00 3.57 -0.46 -2.10 116.94 118.23 1bvm h PHE 94 Ca -0.05 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.18 1bvm h PHE 94 Cb 1.41 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 39.89 1bvm h PHE 94 CO 0.05 1.05 0.62 0.82 -2.23 0.00 0.00 178.31 178.62 1bvm h ILE 95 N 0.62 1.26 -0.30 1.41 1.08 -1.18 -2.04 117.51 118.36 1bvm h ILE 95 Ca 0.07 -0.50 -0.07 0.00 -0.39 0.00 0.00 64.86 63.96 1bvm h ILE 95 Cb 0.86 -0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 1bvm h ILE 95 CO 0.07 0.25 -0.11 0.00 -0.69 0.00 0.00 178.15 177.68 1bvm h ASN 97 N 0.35 0.04 0.03 0.00 2.35 -0.94 0.10 115.58 117.51 1bvm h ASN 97 Ca 0.07 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1bvm h ASN 97 Cb 0.61 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1bvm h ASN 97 CO 0.04 0.03 -0.01 0.00 -1.65 0.00 0.00 177.43 175.83 1bvm h ASP 99 N -0.43 0.96 -0.42 0.00 5.19 -1.18 -2.37 116.42 118.16 1bvm h ASP 99 Ca -0.00 -0.35 -0.05 0.00 -0.62 0.00 0.00 57.03 56.01 1bvm h ASP 99 Cb 0.41 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.64 1bvm h ASP 99 CO 0.01 1.08 0.07 -0.09 -3.12 0.00 0.00 179.24 177.19 1bvm h ARG 100 N 0.82 0.70 0.00 3.56 2.43 -0.83 -2.24 114.38 118.82 1bvm h ARG 100 Ca 0.13 -0.19 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 1bvm h ARG 100 Cb 0.64 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1bvm h ARG 100 CO 0.04 0.73 -0.10 -0.91 -1.51 0.00 0.00 179.97 178.23 1bvm h ASN 101 N 0.56 0.00 -0.03 -3.80 2.35 -0.88 -2.40 115.58 111.37 1bvm h ASN 101 Ca 0.13 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.72 1bvm h ASN 101 Cb 0.37 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.75 1bvm h ASN 101 CO 0.01 0.10 -0.59 0.00 -1.65 0.00 0.00 177.43 175.30 1bvm h ALA 102 N 1.90 0.11 -0.10 -0.83 0.00 -0.87 -2.95 119.26 116.51 1bvm h ALA 102 Ca -0.00 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 1bvm h ALA 102 Cb 0.27 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1bvm h ALA 102 CO 0.01 0.37 -0.25 0.00 0.00 0.00 0.00 179.25 179.38 1bvm h ALA 103 N 0.37 1.40 -0.19 0.00 0.00 -1.09 -2.64 119.26 117.10 1bvm h ALA 103 Ca -0.07 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 1bvm h ALA 103 Cb 1.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1bvm h ALA 103 CO 0.12 0.42 -0.47 0.82 0.00 0.00 0.00 179.25 180.14 1bvm h ILE 104 N 0.16 1.32 -0.26 0.00 2.04 -1.46 -2.97 117.51 116.33 1bvm h ILE 104 Ca 0.03 -1.68 -0.05 0.00 1.00 0.00 0.00 64.86 64.16 1bvm h ILE 104 Cb 0.53 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1bvm h ILE 104 CO 0.04 0.52 -0.04 0.00 0.00 0.00 0.00 178.15 178.67 1bvm h PHE 106 N 0.25 1.15 0.00 0.00 0.04 -1.46 0.22 116.94 117.14 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 0.49 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1bvm h PHE 106 CO 0.05 0.49 0.00 -1.13 -0.60 0.00 0.00 178.31 177.12 1bvm n SER 107 N -4.60 0.44 -0.00 2.17 3.41 -1.11 -3.29 113.62 110.64 1bvm n SER 107 Ca 0.18 0.54 0.09 0.00 -0.26 0.00 0.00 58.87 59.43 1bvm n SER 107 Cb 0.31 -0.66 -0.12 0.00 -0.26 0.00 0.00 64.21 63.47 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 -1.91 0.57 -4.39 4.33 4.76 0.36 -4.96 118.16 116.92 1bvm n LYS 108 Ca 0.06 -0.05 -0.25 0.00 -2.87 0.00 0.00 58.31 55.20 1bvm n LYS 108 Cb 0.38 -1.43 -0.10 0.00 -1.84 0.00 0.00 35.03 32.04 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 -2.98 2.76 1.01 -0.18 -7.23 0.50 -5.06 120.40 109.22 1bvm s VAL 109 Ca 0.04 -2.08 -0.14 0.00 -1.81 0.00 0.00 61.98 57.99 1bvm s VAL 109 Cb 0.14 -2.41 0.19 0.00 0.56 0.00 0.00 36.38 34.87 1bvm s VAL 109 CO 0.81 -0.27 1.12 -2.16 -0.31 0.00 0.00 175.10 174.29 1bvm s PRO 110 N -3.19 0.37 -0.05 4.82 0.04 -1.26 -4.83 135.00 130.89 1bvm s PRO 110 Ca 0.27 0.29 -0.01 0.00 0.04 0.00 0.00 61.00 61.58 1bvm s PRO 110 Cb -0.07 -1.75 0.03 0.00 0.04 0.00 0.00 34.50 32.75 1bvm s PRO 110 CO 0.15 -2.72 0.02 -0.47 0.04 0.00 0.00 177.00 174.02 1bvm s TYR 111 N -3.12 0.39 -0.37 0.56 5.04 -1.26 -4.15 117.35 114.44 1bvm s TYR 111 Ca 0.66 0.02 -0.16 0.00 -2.44 0.00 0.00 57.07 55.15 1bvm s TYR 111 Cb -0.15 -0.64 0.00 0.00 0.35 0.00 0.00 41.96 41.52 1bvm s TYR 111 CO 0.56 -0.25 0.39 -0.80 -1.34 0.00 0.00 175.55 174.10 1bvm s ASN 112 N 1.95 6.18 0.49 4.32 0.01 -1.26 -4.93 114.94 121.71 1bvm s ASN 112 Ca 0.03 -0.41 0.24 0.00 -0.71 0.00 0.00 52.86 52.02 1bvm s ASN 112 Cb -0.12 -2.21 1.29 0.00 0.41 0.00 0.00 41.25 40.62 1bvm s ASN 112 CO -0.04 -0.43 2.02 0.11 -1.51 0.00 0.00 177.10 177.25 1bvm h LYS 113 N 8.56 0.00 -0.42 -0.60 1.57 -1.99 -2.72 116.57 120.96 1bvm h LYS 113 Ca -0.28 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.36 1bvm h LYS 113 Cb 1.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1bvm h LYS 113 CO 0.73 0.16 -0.25 1.49 -0.57 0.00 0.00 179.45 181.01 1bvm h GLU 114 N 0.00 0.92 0.00 3.15 4.22 -2.03 -2.55 114.58 118.29 1bvm h GLU 114 Ca -0.00 -0.42 0.00 0.00 0.08 0.00 0.00 59.36 59.01 1bvm h GLU 114 Cb 0.40 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1bvm h GLU 114 CO 0.02 1.08 0.00 0.72 -2.18 0.00 0.00 179.01 178.65 1bvm n HIS 115 N -4.15 0.00 -1.73 0.92 8.25 -1.03 -4.79 115.22 112.70 1bvm n HIS 115 Ca -0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.06 1bvm n HIS 115 Cb 0.47 -0.26 0.03 0.00 1.12 0.00 0.00 29.99 31.36 1bvm n HIS 115 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1bvm n LYS 116 N -1.26 1.79 -3.52 -0.41 4.81 -0.96 -3.34 118.16 115.28 1bvm n LYS 116 Ca 0.06 0.65 -0.19 0.00 -0.87 0.00 0.00 58.31 57.96 1bvm n LYS 116 Cb 0.09 -2.52 0.02 0.00 0.02 0.00 0.00 35.03 32.65 1bvm n LYS 116 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1bvm n ASN 117 N -0.57 -5.98 -4.89 3.14 3.02 -0.52 -4.94 115.26 104.51 1bvm n ASN 117 Ca 0.09 -0.70 -0.29 0.00 -0.03 0.00 0.00 54.58 53.65 1bvm n ASN 117 Cb 0.43 -3.46 0.09 0.00 -0.61 0.00 0.00 39.78 36.23 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 -5.20 2.47 -0.25 3.41 2.96 -1.21 -5.03 118.68 115.83 1bvm s LEU 118 Ca 0.18 0.80 -0.15 0.00 -0.22 0.00 0.00 54.13 54.74 1bvm s LEU 118 Cb -0.06 -3.28 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 1bvm s LEU 118 CO 0.84 -1.95 0.36 -0.62 -1.32 0.00 0.00 176.35 173.65 1bvm s ASP 119 N -4.54 6.29 0.60 3.68 -1.08 -1.26 -4.93 116.67 115.43 1bvm s ASP 119 Ca 0.62 0.34 0.28 0.00 -0.52 0.00 0.00 52.55 53.27 1bvm s ASP 119 Cb -0.11 -2.20 1.54 0.00 -1.46 0.00 0.00 42.92 40.69 1bvm s ASP 119 CO 0.49 -0.12 1.85 0.11 0.52 0.00 0.00 175.17 178.02 1bvm h LYS 120 N 7.86 0.00 0.00 4.34 1.57 -1.95 0.21 116.57 128.60 1bvm h LYS 120 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1bvm h LYS 120 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1bvm h LYS 120 CO 0.67 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.18 1bvm n LYS 121 N -2.75 0.06 0.00 3.15 4.76 -1.26 -0.62 118.16 121.51 1bvm n LYS 121 Ca -0.02 0.37 0.11 0.00 -2.87 0.00 0.00 58.31 55.90 1bvm n LYS 121 Cb 0.33 -1.64 0.02 0.00 -1.84 0.00 0.00 35.03 31.90 1bvm n LYS 121 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1bvm n ASN 122 N -1.76 0.77 -0.71 4.39 3.02 0.74 -5.20 115.26 116.51 1bvm n ASN 122 Ca 0.02 -0.65 0.09 0.00 -0.03 0.00 0.00 54.58 54.01 1bvm n ASN 122 Cb 0.15 0.73 0.07 0.00 -0.61 0.00 0.00 39.78 40.12 1bvm n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64