#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 1.14 -0.03 0.00 4.77 -1.26 -4.70 117.00 116.92 1bvm n LEU 2 Ca 0.00 -1.14 0.04 0.00 -0.03 0.00 0.00 56.01 54.88 1bvm n LEU 2 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1bvm n LEU 2 CO 0.00 0.29 -0.80 0.79 -1.33 0.00 0.00 177.39 176.34 1bvm n TRP 3 N -0.28 0.00 -0.05 -1.77 7.02 -1.26 -4.36 117.44 116.73 1bvm n TRP 3 Ca 0.00 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.33 1bvm n TRP 3 Cb 0.34 -0.51 -0.13 0.00 -2.42 0.00 0.00 31.31 28.59 1bvm n TRP 3 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 1bvm h GLN 4 N 0.00 0.04 -0.68 -0.99 4.20 -1.95 -2.97 115.11 112.76 1bvm h GLN 4 Ca -0.12 -0.07 0.15 0.00 0.06 0.00 0.00 58.65 58.67 1bvm h GLN 4 Cb 1.13 0.03 -0.11 0.00 0.30 0.00 0.00 27.48 28.82 1bvm h GLN 4 CO 0.01 1.03 0.02 0.35 -0.67 0.00 0.00 178.83 179.58 1bvm h PHE 5 N -0.91 -0.00 -0.09 2.96 3.57 -1.84 -0.35 116.94 120.27 1bvm h PHE 5 Ca -0.03 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1bvm h PHE 5 Cb 1.10 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.95 1bvm h PHE 5 CO 0.26 -0.18 0.03 -0.91 -2.23 0.00 0.00 178.31 175.28 1bvm h ASN 6 N 0.13 0.13 -0.96 0.41 4.21 -1.76 -2.49 115.58 115.25 1bvm h ASN 6 Ca 0.37 -0.18 0.19 0.00 1.21 0.00 0.00 56.30 57.89 1bvm h ASN 6 Cb 0.62 -0.03 -0.09 0.00 -1.12 0.00 0.00 38.32 37.70 1bvm h ASN 6 CO -0.58 0.27 0.61 1.23 -1.29 0.00 0.00 177.43 177.68 1bvm h GLY 7 N -0.02 1.37 0.98 2.83 0.00 -0.99 0.30 103.07 107.54 1bvm h GLY 7 Ca 0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 1bvm h GLY 7 CO -0.00 -0.02 0.07 -0.33 0.00 0.00 0.00 176.54 176.27 1bvm h MET 8 N 0.63 0.80 -0.06 4.80 2.86 -0.70 -2.09 114.93 121.17 1bvm h MET 8 Ca 0.52 -0.22 0.02 0.00 -2.06 0.00 0.00 59.70 57.97 1bvm h MET 8 Cb 0.99 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.55 1bvm h MET 8 CO -0.28 0.80 0.11 0.82 1.06 0.00 0.00 176.91 179.43 1bvm h ILE 9 N 0.67 0.27 0.19 -1.22 2.04 -0.56 -1.26 117.51 117.64 1bvm h ILE 9 Ca 0.15 0.00 -0.32 0.00 1.00 0.00 0.00 64.86 65.68 1bvm h ILE 9 Cb 0.40 0.90 0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1bvm h ILE 9 CO 0.01 0.00 -1.52 0.11 0.00 0.00 0.00 178.15 176.75 1bvm h LYS 10 N 0.00 0.40 -0.46 2.37 1.57 -1.08 -1.64 116.57 117.72 1bvm h LYS 10 Ca 0.03 -0.68 0.02 0.00 -1.87 0.00 0.00 60.65 58.15 1bvm h LYS 10 Cb 0.25 0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 1bvm h LYS 10 CO -0.00 1.30 0.27 0.00 -0.57 0.00 0.00 179.45 180.45 1bvm h LYS 12 N 0.54 -0.04 -3.29 0.00 1.79 -1.60 -3.39 116.57 110.59 1bvm h LYS 12 Ca 0.18 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.97 1bvm h LYS 12 Cb 0.02 0.01 -0.36 0.00 -1.58 0.00 0.00 32.23 30.31 1bvm h LYS 12 CO -0.09 0.66 -0.19 0.42 -1.08 0.00 0.00 179.45 179.18 1bvm s ILE 13 N -3.05 4.09 -0.16 1.86 1.01 -0.62 -4.85 121.20 119.47 1bvm s ILE 13 Ca -0.16 -3.89 0.23 0.00 0.00 0.00 0.00 60.65 56.82 1bvm s ILE 13 Cb -0.01 -3.56 0.26 0.00 0.01 0.00 0.00 42.46 39.16 1bvm s ILE 13 CO 0.62 -1.06 1.68 1.55 0.00 0.00 0.00 174.94 177.72 1bvm h PRO 14 N 5.96 0.00 -0.10 2.79 0.13 -1.45 -3.07 132.00 136.25 1bvm h PRO 14 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1bvm h PRO 14 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1bvm h PRO 14 CO 0.83 0.17 0.00 -1.13 -0.23 0.00 0.00 178.00 177.63 1bvm n SER 15 N -3.19 0.87 -3.77 1.44 3.41 -1.26 -4.77 113.62 106.35 1bvm n SER 15 Ca 0.02 -1.66 -0.15 0.00 -0.26 0.00 0.00 58.87 56.83 1bvm n SER 15 Cb 0.52 -0.07 -0.16 0.00 -0.26 0.00 0.00 64.21 64.25 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 -1.45 0.02 0.16 4.04 0.15 -1.16 -5.13 113.70 110.33 1bvm s SER 16 Ca 0.26 0.10 -0.30 0.00 0.70 0.00 0.00 55.95 56.71 1bvm s SER 16 Cb 0.13 -0.00 -0.07 0.00 -1.71 0.00 0.00 66.02 64.37 1bvm s SER 16 CO 0.21 -0.13 1.14 -1.61 1.20 0.00 0.00 173.24 174.05 1bvm s GLU 17 N 1.05 4.53 0.00 5.44 0.41 -1.26 -4.86 118.70 124.01 1bvm s GLU 17 Ca -0.09 1.77 0.25 0.00 -0.41 0.00 0.00 54.97 56.49 1bvm s GLU 17 Cb -0.12 -3.28 1.25 0.00 -1.78 0.00 0.00 34.13 30.20 1bvm s GLU 17 CO -0.04 -0.03 1.84 -0.35 -0.49 0.00 0.00 175.26 176.19 1bvm n PRO 18 N 2.70 0.33 -0.13 0.39 -0.04 -1.26 -2.80 135.00 134.20 1bvm n PRO 18 Ca 0.04 0.05 0.05 0.00 -0.04 0.00 0.00 63.50 63.60 1bvm n PRO 18 Cb 0.46 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.54 1bvm n PRO 18 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bvm n LEU 19 N -1.30 2.66 0.00 1.53 4.77 -1.26 -4.13 117.00 119.27 1bvm n LEU 19 Ca 0.11 -1.85 0.00 0.00 -0.03 0.00 0.00 56.01 54.24 1bvm n LEU 19 Cb 0.21 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1bvm n LEU 19 CO 0.19 0.65 -0.36 0.18 -1.33 0.00 0.00 177.39 176.73 1bvm n LEU 20 N 0.41 0.08 -0.08 2.23 4.77 -1.17 -4.80 117.00 118.43 1bvm n LEU 20 Ca 0.09 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.95 1bvm n LEU 20 Cb 0.38 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.39 1bvm n LEU 20 CO 0.07 0.01 -1.06 0.47 -1.33 0.00 0.00 177.39 175.55 1bvm n ASP 21 N -1.60 2.55 -2.81 -1.43 9.92 -1.12 -4.62 116.55 117.45 1bvm n ASP 21 Ca 0.00 -0.06 -0.34 0.00 -0.53 0.00 0.00 54.79 53.86 1bvm n ASP 21 Cb 0.36 -0.29 -0.01 0.00 -0.64 0.00 0.00 41.12 40.54 1bvm n ASP 21 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1bvm n PHE 22 N -3.07 2.33 -5.01 1.24 3.72 -1.26 -4.92 117.46 110.49 1bvm n PHE 22 Ca -0.30 -2.19 -0.29 0.00 -0.05 0.00 0.00 57.45 54.61 1bvm n PHE 22 Cb 0.81 -1.31 -0.17 0.00 -0.94 0.00 0.00 39.48 37.87 1bvm n PHE 22 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1bvm s ASN 23 N -0.38 2.61 -0.91 4.37 -0.87 -1.26 -4.69 114.94 113.82 1bvm s ASN 23 Ca 0.54 -0.46 -0.08 0.00 -1.57 0.00 0.00 52.86 51.30 1bvm s ASN 23 Cb 0.39 -1.06 0.01 0.00 -0.02 0.00 0.00 41.25 40.57 1bvm s ASN 23 CO -0.30 0.14 0.65 -3.20 -2.57 0.00 0.00 177.10 171.82 1bvm n ASN 24 N 3.45 -5.18 -4.25 -1.22 5.15 -1.26 -4.61 115.26 107.35 1bvm n ASN 24 Ca -0.20 -0.91 -0.19 0.00 -0.60 0.00 0.00 54.58 52.69 1bvm n ASN 24 Cb 0.53 -2.31 -0.11 0.00 -0.53 0.00 0.00 39.78 37.35 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 -3.12 1.46 0.00 1.20 6.14 -0.96 -1.51 117.35 120.55 1bvm s TYR 25 Ca 0.12 -0.53 0.00 0.00 0.64 0.00 0.00 57.07 57.30 1bvm s TYR 25 Cb -0.06 -0.76 0.00 0.00 0.42 0.00 0.00 41.96 41.56 1bvm s TYR 25 CO 0.89 0.16 0.00 0.41 0.64 0.00 0.00 175.55 177.65 1bvm n GLY 26 N 0.58 0.10 0.09 8.97 0.00 -1.25 -2.97 105.19 110.70 1bvm n GLY 26 Ca -0.16 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.47 0.02 -1.67 0.00 4.01 -1.26 0.88 117.16 116.67 1bvm n TYR 28 Ca 0.00 0.01 -0.57 0.00 -0.16 0.00 0.00 57.90 57.18 1bvm n TYR 28 Cb 0.52 -0.66 -0.07 0.00 -0.31 0.00 0.00 39.34 38.82 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 3.57 1.02 4.40 0.00 0.00 -1.26 -2.28 105.19 110.64 1bvm n GLY 30 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.19 0.19 0.99 4.77 -0.98 -4.59 117.00 116.19 1bvm n LEU 31 Ca 0.00 -1.16 0.00 0.00 -0.03 0.00 0.00 56.01 54.82 1bvm n LEU 31 Cb 0.00 -1.79 0.00 0.00 -2.33 0.00 0.00 43.42 39.30 1bvm n LEU 31 CO 0.00 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1bvm n GLY 32 N -1.32 -1.08 0.79 -0.72 0.00 -1.26 -5.12 105.19 96.47 1bvm n GLY 32 Ca 0.06 0.18 -0.05 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.02 -2.44 0.00 -0.02 0.00 -1.23 -5.03 105.19 96.44 1bvm n GLY 33 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.13 0.00 0.00 1.61 3.41 0.25 -4.65 113.62 112.11 1bvm n SER 34 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1bvm n SER 34 Cb 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 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 -1.62 3.51 5.00 0.00 -1.26 -4.95 105.19 105.86 1bvm n GLY 35 Ca 0.00 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 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 0.25 2.09 -2.31 2.61 -1.04 -1.26 -4.75 114.28 109.87 1bvm n THR 36 Ca 0.00 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.14 1bvm n THR 36 Cb 0.00 -0.75 -0.02 0.00 -1.82 0.00 0.00 70.33 67.75 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 -1.79 3.94 -0.11 -2.82 0.04 -1.26 -4.61 135.00 128.39 1bvm s PRO 37 Ca 0.64 1.77 0.16 0.00 0.04 0.00 0.00 61.00 63.61 1bvm s PRO 37 Cb -0.57 -2.54 -0.23 0.00 0.04 0.00 0.00 34.50 31.19 1bvm s PRO 37 CO 0.57 -0.40 0.19 1.33 0.04 0.00 0.00 177.00 178.73 1bvm n VAL 38 N -0.19 0.71 -3.96 -0.36 0.24 -1.26 -5.03 118.33 108.49 1bvm n VAL 38 Ca 0.06 -0.60 -0.10 0.00 -2.04 0.00 0.00 64.34 61.66 1bvm n VAL 38 Cb 0.48 -0.31 -0.03 0.00 -1.47 0.00 0.00 33.84 32.51 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 -2.43 -0.82 0.01 -1.34 2.03 -1.26 -5.04 116.55 107.70 1bvm n ASP 39 Ca -0.18 -2.31 -0.13 0.00 0.52 0.00 0.00 54.79 52.69 1bvm n ASP 39 Cb 0.83 1.58 -0.10 0.00 -0.72 0.00 0.00 41.12 42.71 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 1.33 -0.05 -0.97 1.67 3.32 -1.96 -2.86 116.42 116.89 1bvm h ASP 40 Ca -0.18 -0.47 0.25 0.00 0.02 0.00 0.00 57.03 56.65 1bvm h ASP 40 Cb 0.80 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.29 1bvm h ASP 40 CO 0.24 0.46 0.65 0.25 -1.72 0.00 0.00 179.24 179.12 1bvm h LEU 41 N -0.58 0.32 -0.37 1.55 5.85 -1.94 0.22 115.31 120.35 1bvm h LEU 41 Ca -0.01 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1bvm h LEU 41 Cb 0.52 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1bvm h LEU 41 CO 0.01 0.10 -0.04 -0.78 -0.34 0.00 0.00 178.44 177.39 1bvm h ASP 42 N 0.30 0.68 -0.99 1.25 3.58 -1.92 -2.60 116.42 116.72 1bvm h ASP 42 Ca 0.51 -0.33 0.20 0.00 0.42 0.00 0.00 57.03 57.83 1bvm h ASP 42 Cb 1.46 -0.18 -0.10 0.00 1.72 0.00 0.00 39.33 42.23 1bvm h ASP 42 CO -0.17 0.85 0.62 0.03 -2.88 0.00 0.00 179.24 177.68 1bvm h ARG 43 N 0.49 0.63 -0.59 0.28 3.08 -0.34 0.22 114.38 118.16 1bvm h ARG 43 Ca 0.10 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1bvm h ARG 43 Cb 0.53 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 1bvm h ARG 43 CO 0.03 0.42 0.31 0.00 -1.07 0.00 0.00 179.97 179.66 1bvm h GLN 46 N 0.23 0.61 -0.11 0.00 4.15 -0.96 0.33 115.11 119.35 1bvm h GLN 46 Ca 0.08 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.39 1bvm h GLN 46 Cb 0.29 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 1bvm h GLN 46 CO 0.00 0.40 -0.25 1.15 -1.93 0.00 0.00 178.83 178.20 1bvm h THR 47 N 0.62 1.23 0.09 2.39 2.02 -0.95 -1.40 112.91 116.91 1bvm h THR 47 Ca 0.49 -1.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 1bvm h THR 47 Cb 0.90 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1bvm h THR 47 CO -0.24 0.33 -0.04 -0.74 0.37 0.00 0.00 175.52 175.20 1bvm h HIS 48 N 0.18 -0.11 -0.43 3.16 -0.00 -0.06 0.10 115.15 118.00 1bvm h HIS 48 Ca 0.03 -0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.41 1bvm h HIS 48 Cb 0.55 0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.97 1bvm h HIS 48 CO 0.01 0.18 0.26 -0.44 -0.00 0.00 0.00 177.93 177.94 1bvm h ASP 49 N -0.40 0.42 -0.60 3.26 5.19 -1.31 -0.78 116.42 122.20 1bvm h ASP 49 Ca -0.01 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.39 1bvm h ASP 49 Cb 0.34 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 39.73 1bvm h ASP 49 CO 0.02 0.30 0.37 0.78 -3.12 0.00 0.00 179.24 177.59 1bvm h ASN 50 N 0.52 0.73 -0.36 6.45 2.35 -1.14 -2.10 115.58 122.04 1bvm h ASN 50 Ca 0.17 -0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.75 1bvm h ASN 50 Cb -0.00 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1bvm h ASN 50 CO -0.07 0.57 -0.26 0.00 -1.65 0.00 0.00 177.43 176.01 1bvm h TYR 52 N 0.74 0.00 0.05 0.00 -1.99 -0.52 -1.03 116.97 114.23 1bvm h TYR 52 Ca 0.09 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.82 1bvm h TYR 52 Cb 0.81 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.54 1bvm h TYR 52 CO 0.05 0.17 -0.03 0.87 -0.00 0.00 0.00 178.16 179.22 1bvm h LYS 53 N 0.00 -0.07 -0.84 4.88 1.79 -1.09 -3.06 116.57 118.18 1bvm h LYS 53 Ca -0.00 0.00 0.19 0.00 -2.18 0.00 0.00 60.65 58.67 1bvm h LYS 53 Cb 0.30 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.91 1bvm h LYS 53 CO 0.02 0.54 0.57 1.96 -1.08 0.00 0.00 179.45 181.46 1bvm h GLN 54 N -0.85 0.31 -0.44 3.15 1.08 -1.09 0.35 115.11 117.63 1bvm h GLN 54 Ca -0.01 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 1bvm h GLN 54 Cb 0.65 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 1bvm h GLN 54 CO 0.01 0.21 0.12 0.00 -0.95 0.00 0.00 178.83 178.21 1bvm h ALA 55 N 1.62 0.58 -0.86 3.87 0.00 -1.17 -2.73 119.26 120.57 1bvm h ALA 55 Ca 0.42 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1bvm h ALA 55 Cb 1.16 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1bvm h ALA 55 CO -0.13 0.25 0.53 0.87 0.00 0.00 0.00 179.25 180.77 1bvm h LYS 56 N 0.57 1.16 -0.37 0.00 1.79 -0.83 -2.06 116.57 116.83 1bvm h LYS 56 Ca 0.14 -0.10 -0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1bvm h LYS 56 Cb 0.30 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 1bvm h LYS 56 CO -0.00 0.80 0.22 0.87 -1.08 0.00 0.00 179.45 180.26 1bvm h LYS 57 N 1.17 0.49 -6.24 3.15 1.57 -1.22 -3.33 116.57 112.17 1bvm h LYS 57 Ca 0.31 -0.04 -0.60 0.00 -1.87 0.00 0.00 60.65 58.45 1bvm h LYS 57 Cb -0.06 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.15 1bvm h LYS 57 CO -0.06 0.35 1.18 1.28 -0.57 0.00 0.00 179.45 181.63 1bvm n LEU 58 N -4.46 3.47 -0.23 2.94 4.32 -0.77 -4.80 117.00 117.46 1bvm n LEU 58 Ca 0.02 0.85 -0.03 0.00 -0.02 0.00 0.00 56.01 56.84 1bvm n LEU 58 Cb 0.08 -1.40 0.04 0.00 -1.62 0.00 0.00 43.42 40.51 1bvm n LEU 58 CO 0.35 -0.11 0.66 -0.78 -1.22 0.00 0.00 177.39 176.29 1bvm h ASP 59 N 10.20 -1.02 -1.30 -1.43 3.58 -1.87 0.75 116.42 125.33 1bvm h ASP 59 Ca -0.47 0.23 0.41 0.00 0.42 0.00 0.00 57.03 57.63 1bvm h ASP 59 Cb 1.27 0.55 -0.12 0.00 1.72 0.00 0.00 39.33 42.75 1bvm h ASP 59 CO 0.95 -0.28 0.85 0.28 -2.88 0.00 0.00 179.24 178.16 1bvm h SER 60 N -0.10 0.25 0.07 2.28 0.02 -1.92 0.38 113.55 114.53 1bvm h SER 60 Ca 0.28 0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 61.24 1bvm h SER 60 Cb 0.55 0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.20 1bvm h SER 60 CO -0.73 -0.13 -0.48 0.00 -1.14 0.00 0.00 176.83 174.35 1bvm h LYS 62 N -0.57 0.00 -0.44 0.00 3.64 0.65 -1.03 116.57 118.82 1bvm h LYS 62 Ca -0.08 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 1bvm h LYS 62 Cb 1.35 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.14 1bvm h LYS 62 CO 0.09 0.00 0.03 1.33 -2.27 0.00 0.00 179.45 178.63 1bvm n VAL 63 N -2.65 2.56 -0.00 2.00 0.24 0.55 -4.48 118.33 116.54 1bvm n VAL 63 Ca -0.02 -1.74 -0.01 0.00 -2.04 0.00 0.00 64.34 60.54 1bvm n VAL 63 Cb 0.09 -0.28 -0.00 0.00 -1.47 0.00 0.00 33.84 32.17 1bvm n VAL 63 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1bvm n LEU 64 N -0.12 0.17 -0.75 1.34 4.77 -0.39 -4.97 117.00 117.06 1bvm n LEU 64 Ca 0.27 0.03 -0.02 0.00 -0.03 0.00 0.00 56.01 56.25 1bvm n LEU 64 Cb 1.08 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.81 1bvm n LEU 64 CO 0.25 -0.50 0.28 0.52 -1.33 0.00 0.00 177.39 176.61 1bvm n VAL 65 N -2.67 0.00 -4.20 4.08 0.31 -1.25 -5.01 118.33 109.60 1bvm n VAL 65 Ca -0.01 -0.06 -0.34 0.00 -0.01 0.00 0.00 64.34 63.92 1bvm n VAL 65 Cb 0.03 0.29 -0.06 0.00 -0.91 0.00 0.00 33.84 33.19 1bvm n VAL 65 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1bvm n ASP 66 N 0.03 -0.54 -3.15 4.52 2.03 -1.26 -4.89 116.55 113.30 1bvm n ASP 66 Ca -0.10 -1.24 0.05 0.00 0.52 0.00 0.00 54.79 54.03 1bvm n ASP 66 Cb 0.63 -1.87 -0.01 0.00 -0.72 0.00 0.00 41.12 39.15 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 -4.17 -0.40 0.00 1.67 2.47 -1.26 -5.00 114.94 108.25 1bvm s ASN 67 Ca 0.12 0.15 0.24 0.00 0.42 0.00 0.00 52.86 53.80 1bvm s ASN 67 Cb -0.07 1.30 1.28 0.00 -1.45 0.00 0.00 41.25 42.31 1bvm s ASN 67 CO 0.97 -0.07 1.80 -0.81 -3.72 0.00 0.00 177.10 175.27 1bvm n PRO 68 N 5.32 0.46 -0.08 0.43 -0.04 -1.26 -3.63 135.00 136.20 1bvm n PRO 68 Ca -0.00 0.04 -0.11 0.00 -0.04 0.00 0.00 63.50 63.39 1bvm n PRO 68 Cb 0.56 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 1bvm n PRO 68 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1bvm h TYR 69 N 0.00 0.00 -0.22 0.54 -1.99 -1.97 -3.33 116.97 110.00 1bvm h TYR 69 Ca 0.00 0.00 0.07 0.00 2.00 0.00 0.00 58.73 60.80 1bvm h TYR 69 Cb 0.16 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.88 1bvm h TYR 69 CO 0.00 0.70 0.41 1.79 -0.00 0.00 0.00 178.16 181.06 1bvm h THR 70 N -1.00 0.20 -2.60 -2.88 1.35 -1.98 2.07 112.91 108.07 1bvm h THR 70 Ca -0.11 0.00 -0.59 0.00 -0.55 0.00 0.00 66.41 65.16 1bvm h THR 70 Cb 0.77 0.64 0.18 0.00 -1.73 0.00 0.00 68.15 68.01 1bvm h THR 70 CO -0.07 0.00 -0.70 -3.20 -0.25 0.00 0.00 175.52 171.30 1bvm n ASN 71 N -3.32 -2.12 -3.08 5.36 2.85 -1.25 -4.58 115.26 109.12 1bvm n ASN 71 Ca 0.03 0.69 -0.17 0.00 -0.11 0.00 0.00 54.58 55.02 1bvm n ASN 71 Cb 0.53 -1.05 -0.04 0.00 1.24 0.00 0.00 39.78 40.46 1bvm n ASN 71 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1bvm n ASN 72 N 1.24 -1.56 -4.82 1.20 3.02 -1.26 -3.15 115.26 109.93 1bvm n ASN 72 Ca 0.10 -2.72 -0.31 0.00 -0.03 0.00 0.00 54.58 51.62 1bvm n ASN 72 Cb 0.48 0.43 0.06 0.00 -0.61 0.00 0.00 39.78 40.13 1bvm n ASN 72 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1bvm s TYR 73 N 0.15 3.07 0.32 3.10 -0.85 -1.26 -5.07 117.35 116.80 1bvm s TYR 73 Ca 0.32 1.33 0.09 0.00 -0.52 0.00 0.00 57.07 58.29 1bvm s TYR 73 Cb 0.08 -2.95 -0.06 0.00 0.38 0.00 0.00 41.96 39.41 1bvm s TYR 73 CO -0.15 -1.35 -0.10 0.45 -1.52 0.00 0.00 175.55 172.88 1bvm s SER 74 N -3.86 3.49 0.09 -0.18 0.15 -1.26 -5.00 113.70 107.12 1bvm s SER 74 Ca 0.59 -1.17 -0.25 0.00 0.70 0.00 0.00 55.95 55.81 1bvm s SER 74 Cb -0.14 -0.30 0.09 0.00 -1.71 0.00 0.00 66.02 63.96 1bvm s SER 74 CO 0.55 -0.20 1.16 -0.72 1.20 0.00 0.00 173.24 175.22 1bvm s TYR 75 N -2.69 0.05 0.20 3.44 1.13 -1.26 -2.72 117.35 115.50 1bvm s TYR 75 Ca 0.31 -0.31 0.01 0.00 -1.41 0.00 0.00 57.07 55.67 1bvm s TYR 75 Cb 0.02 0.63 -0.05 0.00 -1.10 0.00 0.00 41.96 41.47 1bvm s TYR 75 CO 0.15 -0.61 0.06 -1.12 -2.51 0.00 0.00 175.55 171.52 1bvm s SER 76 N -3.58 0.86 0.33 -0.18 0.01 0.76 -4.91 113.70 106.99 1bvm s SER 76 Ca 0.25 -1.28 0.09 0.00 1.31 0.00 0.00 55.95 56.32 1bvm s SER 76 Cb -0.01 0.21 -0.06 0.00 0.21 0.00 0.00 66.02 66.36 1bvm s SER 76 CO 0.02 -0.70 -0.09 0.00 0.41 0.00 0.00 173.24 172.89 1bvm n SER 78 N -0.76 0.00 -4.22 0.00 3.41 -0.69 -4.89 113.62 106.47 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 0.63 0.00 -0.06 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 -0.30 -4.24 4.04 3.02 -1.26 0.14 115.26 116.66 1bvm n ASN 79 Ca 0.00 -1.25 -0.37 0.00 -0.03 0.00 0.00 54.58 52.93 1bvm n ASN 79 Cb 0.00 -1.80 -0.05 0.00 -0.61 0.00 0.00 39.78 37.32 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 -2.75 -2.59 -4.14 6.41 5.03 -1.26 -4.90 115.26 111.06 1bvm n ASN 80 Ca -0.28 -1.01 -0.13 0.00 0.87 0.00 0.00 54.58 54.03 1bvm n ASN 80 Cb 0.67 -2.18 -0.11 0.00 -1.02 0.00 0.00 39.78 37.14 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 -6.93 0.74 -0.13 3.52 2.02 0.38 -4.58 118.70 113.72 1bvm s GLU 81 Ca 0.74 -1.08 -0.07 0.00 0.02 0.00 0.00 54.97 54.58 1bvm s GLU 81 Cb -0.42 -0.36 -0.04 0.00 0.10 0.00 0.00 34.13 33.41 1bvm s GLU 81 CO 0.90 0.04 0.12 0.42 0.02 0.00 0.00 175.26 176.76 1bvm s ILE 82 N -2.45 5.31 -0.44 -1.63 1.01 -1.26 -1.70 121.20 120.03 1bvm s ILE 82 Ca 0.02 0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.82 1bvm s ILE 82 Cb -0.03 -3.32 0.12 0.00 0.01 0.00 0.00 42.46 39.24 1bvm s ILE 82 CO -0.01 0.58 0.20 -0.89 0.00 0.00 0.00 174.94 174.82 1bvm s THR 83 N -0.74 2.89 0.01 2.92 2.01 0.62 -4.92 115.64 118.43 1bvm s THR 83 Ca 0.13 -2.53 -0.19 0.00 0.31 0.00 0.00 61.69 59.41 1bvm s THR 83 Cb -0.12 -3.01 -0.06 0.00 0.01 0.00 0.00 72.50 69.32 1bvm s THR 83 CO 0.03 -0.71 0.54 0.00 -0.69 0.00 0.00 174.62 173.79 1bvm s SER 85 N -0.58 6.51 0.29 0.00 1.04 -1.10 -4.83 113.70 115.02 1bvm s SER 85 Ca 0.28 2.62 0.19 0.00 0.48 0.00 0.00 55.95 59.53 1bvm s SER 85 Cb -0.18 -2.56 1.04 0.00 0.10 0.00 0.00 66.02 64.42 1bvm s SER 85 CO 0.16 -0.96 1.59 -1.54 0.98 0.00 0.00 173.24 173.48 1bvm n SER 86 N 5.88 0.50 0.10 7.02 3.41 -1.26 -1.82 113.62 127.46 1bvm n SER 86 Ca 0.17 0.73 0.18 0.00 -0.26 0.00 0.00 58.87 59.69 1bvm n SER 86 Cb 0.40 -0.80 0.74 0.00 -0.26 0.00 0.00 64.21 64.28 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 -6.38 4.33 5.08 -1.98 -3.42 114.58 112.21 1bvm h GLU 87 Ca 0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 1bvm h GLU 87 Cb 0.01 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.32 1bvm h GLU 87 CO 0.00 0.00 0.54 0.09 -1.00 0.00 0.00 179.01 178.64 1bvm n ASN 88 N -4.11 2.12 -2.52 1.42 3.02 -0.75 -4.96 115.26 109.47 1bvm n ASN 88 Ca 0.06 1.11 -0.07 0.00 -0.03 0.00 0.00 54.58 55.65 1bvm n ASN 88 Cb 0.47 -1.28 0.04 0.00 -0.61 0.00 0.00 39.78 38.40 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 2.68 0.12 -0.27 6.41 0.23 -1.26 -4.24 115.26 118.92 1bvm n ASN 89 Ca 0.17 -1.17 0.30 0.00 -0.53 0.00 0.00 54.58 53.35 1bvm n ASN 89 Cb 0.24 -0.23 0.68 0.00 -2.08 0.00 0.00 39.78 38.39 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 -1.52 2.81 0.00 -2.53 0.00 -1.97 0.71 119.26 116.75 1bvm h ALA 90 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1bvm h ALA 90 Cb 0.30 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1bvm h ALA 90 CO 0.08 -1.13 -0.36 0.00 0.00 0.00 0.00 179.25 177.84 1bvm h GLU 92 N -0.97 0.05 -0.03 0.00 5.08 -1.82 -0.27 114.58 116.62 1bvm h GLU 92 Ca 0.00 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1bvm h GLU 92 Cb 0.36 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1bvm h GLU 92 CO 0.00 0.03 -0.22 0.00 -1.00 0.00 0.00 179.01 177.82 1bvm h ALA 93 N 1.81 0.06 -0.37 3.43 0.00 0.28 -2.61 119.26 121.86 1bvm h ALA 93 Ca 0.18 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1bvm h ALA 93 Cb 0.66 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1bvm h ALA 93 CO -0.01 0.06 0.19 0.35 0.00 0.00 0.00 179.25 179.84 1bvm h PHE 94 N -0.41 0.50 0.00 0.00 3.57 -1.07 -2.37 116.94 117.15 1bvm h PHE 94 Ca -0.02 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1bvm h PHE 94 Cb 0.92 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.49 1bvm h PHE 94 CO 0.16 0.36 -0.00 0.82 -2.23 0.00 0.00 178.31 177.42 1bvm h ILE 95 N 0.52 1.28 -0.35 1.41 1.08 -1.08 -2.65 117.51 117.71 1bvm h ILE 95 Ca 0.13 -0.84 0.10 0.00 -0.39 0.00 0.00 64.86 63.87 1bvm h ILE 95 Cb 0.04 1.85 -0.01 0.00 -3.07 0.00 0.00 36.82 35.63 1bvm h ILE 95 CO -0.02 0.22 0.28 0.00 -0.69 0.00 0.00 178.15 177.93 1bvm h ASN 97 N 0.00 0.47 -0.08 0.00 2.35 -1.09 -0.05 115.58 117.18 1bvm h ASN 97 Ca 0.17 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1bvm h ASN 97 Cb 0.72 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.95 1bvm h ASN 97 CO -0.00 0.83 -0.01 0.00 -1.65 0.00 0.00 177.43 176.60 1bvm h ASP 99 N -0.16 1.01 -0.23 0.00 3.32 -1.47 -1.77 116.42 117.13 1bvm h ASP 99 Ca 0.02 -0.38 -0.11 0.00 0.02 0.00 0.00 57.03 56.58 1bvm h ASP 99 Cb 0.38 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 1bvm h ASP 99 CO 0.01 1.17 -0.30 -0.09 -1.72 0.00 0.00 179.24 178.31 1bvm h ARG 100 N 0.85 0.61 -0.30 3.56 2.43 -0.95 -2.35 114.38 118.23 1bvm h ARG 100 Ca 0.11 -0.35 -0.04 0.00 -0.81 0.00 0.00 59.98 58.89 1bvm h ARG 100 Cb 0.78 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 1bvm h ARG 100 CO 0.07 0.95 -0.00 -0.91 -1.51 0.00 0.00 179.97 178.57 1bvm h ASN 101 N 0.30 0.42 0.08 -3.80 4.21 0.08 -0.62 115.58 116.25 1bvm h ASN 101 Ca 0.03 -0.07 -0.00 0.00 1.21 0.00 0.00 56.30 57.46 1bvm h ASN 101 Cb 0.88 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.97 1bvm h ASN 101 CO 0.07 0.49 -0.04 0.00 -1.29 0.00 0.00 177.43 176.66 1bvm h ALA 102 N 1.57 -0.11 -0.23 -0.83 0.00 -1.23 -2.21 119.26 116.22 1bvm h ALA 102 Ca 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1bvm h ALA 102 Cb 0.29 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1bvm h ALA 102 CO 0.01 -0.31 0.08 0.00 0.00 0.00 0.00 179.25 179.03 1bvm h ALA 103 N 0.22 1.71 -0.24 0.00 0.00 -1.29 -1.81 119.26 117.84 1bvm h ALA 103 Ca -0.01 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1bvm h ALA 103 Cb 0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1bvm h ALA 103 CO 0.02 0.23 -0.35 0.82 0.00 0.00 0.00 179.25 179.97 1bvm h ILE 104 N 0.32 1.29 -0.28 0.00 2.04 -1.05 -2.92 117.51 116.91 1bvm h ILE 104 Ca 0.08 -1.48 -0.08 0.00 1.00 0.00 0.00 64.86 64.39 1bvm h ILE 104 Cb 0.09 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1bvm h ILE 104 CO -0.01 0.47 -0.12 0.00 0.00 0.00 0.00 178.15 178.49 1bvm h PHE 106 N 0.32 1.01 0.00 0.00 0.04 -1.36 0.35 116.94 117.31 1bvm h PHE 106 Ca 0.06 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1bvm h PHE 106 Cb 0.63 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1bvm h PHE 106 CO 0.06 0.36 0.00 0.66 -0.60 0.00 0.00 178.31 178.79 1bvm h SER 107 N 0.86 0.00 0.09 2.17 4.64 -1.33 -3.12 113.55 116.87 1bvm h SER 107 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1bvm h SER 107 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1bvm h SER 107 CO -0.29 0.00 -0.91 0.29 -0.87 0.00 0.00 176.83 175.04 1bvm n LYS 108 N -2.57 0.01 -4.48 4.77 5.02 0.56 -4.95 118.16 116.52 1bvm n LYS 108 Ca 0.04 -0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.09 1bvm n LYS 108 Cb 0.43 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.84 1bvm n LYS 108 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1bvm s VAL 109 N -3.00 2.25 0.96 -0.18 -7.23 0.93 -5.06 120.40 109.07 1bvm s VAL 109 Ca 0.08 -2.30 -0.13 0.00 -1.81 0.00 0.00 61.98 57.82 1bvm s VAL 109 Cb 0.16 -2.40 0.17 0.00 0.56 0.00 0.00 36.38 34.87 1bvm s VAL 109 CO 0.84 -0.34 1.15 -2.16 -0.31 0.00 0.00 175.10 174.27 1bvm s PRO 110 N -3.58 0.73 -0.00 4.82 0.04 -1.26 -4.82 135.00 130.94 1bvm s PRO 110 Ca 0.30 0.21 0.08 0.00 0.04 0.00 0.00 61.00 61.62 1bvm s PRO 110 Cb -0.01 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 1bvm s PRO 110 CO 0.14 -2.46 -0.25 -0.47 0.04 0.00 0.00 177.00 174.01 1bvm s TYR 111 N -3.27 2.19 -0.15 0.56 5.04 -1.26 -4.49 117.35 115.96 1bvm s TYR 111 Ca 0.66 -0.41 0.02 0.00 -2.44 0.00 0.00 57.07 54.90 1bvm s TYR 111 Cb -0.14 -1.38 0.01 0.00 0.35 0.00 0.00 41.96 40.81 1bvm s TYR 111 CO 0.54 0.01 -0.21 -0.80 -1.34 0.00 0.00 175.55 173.74 1bvm s ASN 112 N -0.76 3.13 0.21 4.32 0.01 -1.26 -4.98 114.94 115.61 1bvm s ASN 112 Ca 0.10 -0.61 0.23 0.00 -0.71 0.00 0.00 52.86 51.86 1bvm s ASN 112 Cb -0.09 -1.46 0.13 0.00 0.41 0.00 0.00 41.25 40.24 1bvm s ASN 112 CO -0.00 0.06 1.18 0.07 -1.51 0.00 0.00 177.10 176.90 1bvm h LYS 113 N 7.46 0.00 0.05 -0.60 2.10 -1.98 -3.34 116.57 120.26 1bvm h LYS 113 Ca -0.36 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.09 1bvm h LYS 113 Cb 1.18 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.53 1bvm h LYS 113 CO 0.57 0.00 -0.85 0.93 -2.00 0.00 0.00 179.45 178.10 1bvm h GLU 114 N 0.00 0.48 0.00 0.07 3.07 -2.03 -3.11 114.58 113.07 1bvm h GLU 114 Ca 0.00 -0.59 0.00 0.00 -0.50 0.00 0.00 59.36 58.27 1bvm h GLU 114 Cb 0.94 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1bvm h GLU 114 CO 0.00 1.23 0.00 0.72 -1.40 0.00 0.00 179.01 179.56 1bvm n HIS 115 N -4.05 0.00 -2.04 4.33 8.25 -1.26 -4.79 115.22 115.67 1bvm n HIS 115 Ca -0.12 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 56.99 1bvm n HIS 115 Cb 0.80 -0.12 0.03 0.00 1.12 0.00 0.00 29.99 31.82 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 -2.24 3.06 -1.39 -0.41 2.20 -1.18 -3.35 119.74 116.43 1bvm s LYS 116 Ca 0.23 1.64 -0.11 0.00 -0.36 0.00 0.00 55.97 57.37 1bvm s LYS 116 Cb 0.12 -1.96 0.01 0.00 -1.51 0.00 0.00 37.83 34.49 1bvm s LYS 116 CO 0.23 -1.10 0.36 0.09 -0.36 0.00 0.00 175.35 174.57 1bvm n ASN 117 N -1.69 -1.30 -4.65 1.43 3.02 -0.57 -4.91 115.26 106.60 1bvm n ASN 117 Ca 0.12 -1.20 -0.29 0.00 -0.03 0.00 0.00 54.58 53.18 1bvm n ASN 117 Cb 0.51 -2.13 0.13 0.00 -0.61 0.00 0.00 39.78 37.67 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 -7.22 2.29 -0.19 3.41 2.96 -1.21 -5.00 118.68 113.71 1bvm s LEU 118 Ca 0.18 0.72 -0.23 0.00 -0.22 0.00 0.00 54.13 54.59 1bvm s LEU 118 Cb -0.09 -3.03 -0.02 0.00 0.50 0.00 0.00 46.19 43.55 1bvm s LEU 118 CO 0.95 -2.40 0.71 -0.62 -1.32 0.00 0.00 176.35 173.68 1bvm s ASP 119 N -4.43 6.78 0.59 3.68 -1.08 -1.26 -4.90 116.67 116.05 1bvm s ASP 119 Ca 0.65 0.96 0.31 0.00 -0.52 0.00 0.00 52.55 53.95 1bvm s ASP 119 Cb -0.11 -2.39 1.19 0.00 -1.46 0.00 0.00 42.92 40.15 1bvm s ASP 119 CO 0.52 -0.34 1.50 0.11 0.52 0.00 0.00 175.17 177.47 1bvm h LYS 120 N 7.47 0.00 0.00 4.34 1.79 -1.96 1.69 116.57 129.91 1bvm h LYS 120 Ca -0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1bvm h LYS 120 Cb 1.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.78 1bvm h LYS 120 CO 0.80 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 180.80 1bvm n LYS 121 N -3.48 0.15 0.00 3.15 5.02 -1.26 0.24 118.16 121.98 1bvm n LYS 121 Ca 0.23 0.56 0.11 0.00 -2.02 0.00 0.00 58.31 57.19 1bvm n LYS 121 Cb 1.39 -1.92 0.02 0.00 -0.02 0.00 0.00 35.03 34.50 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 -2.23 0.85 -0.75 4.39 3.02 0.58 -5.21 115.26 115.90 1bvm n ASN 122 Ca -0.00 -0.74 0.13 0.00 -0.03 0.00 0.00 54.58 53.93 1bvm n ASN 122 Cb 0.10 0.70 0.28 0.00 -0.61 0.00 0.00 39.78 40.26 1bvm n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64