#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 -0.22 0.00 0.00 -1.26 -4.22 117.00 111.30 1bvm n LEU 2 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 56.01 56.32 1bvm n LEU 2 Cb 0.00 0.00 0.64 0.00 0.00 0.00 0.00 43.42 44.06 1bvm n LEU 2 CO 0.00 0.00 1.28 4.11 0.00 0.00 0.00 177.39 182.78 1bvm h TRP 3 N 0.00 0.00 -0.90 1.96 5.08 -2.01 0.66 115.95 120.74 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 0.53 1.96 -1.28 0.00 0.00 178.44 179.65 1bvm h GLN 4 N 0.00 1.23 0.72 0.12 4.20 -1.99 -2.76 115.11 116.63 1bvm h GLN 4 Ca 0.49 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 59.04 1bvm h GLN 4 Cb 2.43 -0.25 0.01 0.00 0.30 0.00 0.00 27.48 29.96 1bvm h GLN 4 CO -0.01 0.87 -0.35 0.35 -0.67 0.00 0.00 178.83 179.03 1bvm h PHE 5 N 1.24 -0.90 -1.11 2.96 3.57 -0.01 -1.81 116.94 120.88 1bvm h PHE 5 Ca 0.32 -0.02 0.32 0.00 3.53 0.00 0.00 57.97 62.12 1bvm h PHE 5 Cb -0.03 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 1bvm h PHE 5 CO 0.01 -0.55 0.84 -0.91 -2.23 0.00 0.00 178.31 175.46 1bvm h ASN 6 N -1.01 0.00 -0.12 0.41 4.21 -1.58 0.34 115.58 117.84 1bvm h ASN 6 Ca -0.10 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.32 1bvm h ASN 6 Cb 0.76 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.96 1bvm h ASN 6 CO 0.16 0.00 -0.26 1.23 -1.29 0.00 0.00 177.43 177.27 1bvm h GLY 7 N 0.00 0.42 0.73 2.83 0.00 -1.06 -2.70 103.07 103.29 1bvm h GLY 7 Ca 0.53 -0.51 0.09 0.00 0.00 0.00 0.00 47.33 47.43 1bvm h GLY 7 CO -0.01 0.46 0.59 -0.33 0.00 0.00 0.00 176.54 177.26 1bvm h MET 8 N -0.04 0.93 -0.36 4.80 2.86 0.36 -0.67 114.93 122.82 1bvm h MET 8 Ca 0.00 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 1bvm h MET 8 Cb 0.86 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 1bvm h MET 8 CO 0.06 0.62 -0.17 0.82 1.06 0.00 0.00 176.91 179.29 1bvm h ILE 9 N 0.96 1.26 -0.58 -1.22 2.04 -1.36 -2.47 117.51 116.14 1bvm h ILE 9 Ca 0.42 -1.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.01 1bvm h ILE 9 Cb 0.34 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1bvm h ILE 9 CO -0.18 0.40 0.17 0.11 0.00 0.00 0.00 178.15 178.66 1bvm h LYS 10 N 0.60 0.88 0.12 2.37 1.57 -0.80 0.66 116.57 121.97 1bvm h LYS 10 Ca 0.10 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1bvm h LYS 10 Cb 0.63 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1bvm h LYS 10 CO 0.04 0.77 -0.06 0.00 -0.57 0.00 0.00 179.45 179.64 1bvm h LYS 12 N -0.60 0.00 -2.22 0.00 1.79 -1.36 -3.37 116.57 110.81 1bvm h LYS 12 Ca -0.02 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.89 1bvm h LYS 12 Cb 0.47 0.00 -0.37 0.00 -1.58 0.00 0.00 32.23 30.75 1bvm h LYS 12 CO 0.03 0.33 -0.99 -0.89 -1.08 0.00 0.00 179.45 176.85 1bvm n ILE 13 N -3.57 -1.07 0.12 1.86 5.41 0.23 -4.87 119.36 117.47 1bvm n ILE 13 Ca -0.00 -3.44 -0.02 0.00 1.00 0.00 0.00 62.75 60.28 1bvm n ILE 13 Cb 0.47 -1.59 0.08 0.00 -0.71 0.00 0.00 39.64 37.88 1bvm n ILE 13 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1bvm h PRO 14 N 5.26 0.00 0.00 0.38 0.13 -0.93 -3.04 132.00 133.80 1bvm h PRO 14 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1bvm h PRO 14 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1bvm h PRO 14 CO 0.38 0.71 0.00 0.66 -0.23 0.00 0.00 178.00 179.52 1bvm h SER 15 N 0.00 0.00 -4.18 1.44 4.64 -1.92 -3.42 113.55 110.11 1bvm h SER 15 Ca -0.01 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.78 1bvm h SER 15 Cb 1.31 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 63.11 1bvm h SER 15 CO 0.09 0.00 -0.83 -0.55 -0.87 0.00 0.00 176.83 174.67 1bvm s SER 16 N -4.83 1.95 0.13 4.97 0.15 -1.15 -5.13 113.70 109.80 1bvm s SER 16 Ca 0.00 -0.30 -0.18 0.00 0.70 0.00 0.00 55.95 56.17 1bvm s SER 16 Cb 0.09 -0.31 -0.07 0.00 -1.71 0.00 0.00 66.02 64.03 1bvm s SER 16 CO 0.41 0.18 0.61 -1.61 1.20 0.00 0.00 173.24 174.03 1bvm s GLU 17 N -0.26 4.16 0.00 5.44 0.41 -1.26 -4.75 118.70 122.43 1bvm s GLU 17 Ca 0.04 0.71 0.19 0.00 -0.41 0.00 0.00 54.97 55.49 1bvm s GLU 17 Cb -0.08 -3.06 1.12 0.00 -1.78 0.00 0.00 34.13 30.33 1bvm s GLU 17 CO 0.00 0.53 1.56 -0.35 -0.49 0.00 0.00 175.26 176.51 1bvm n PRO 18 N 1.19 0.74 -0.00 0.39 -0.04 -1.26 -2.18 135.00 133.83 1bvm n PRO 18 Ca -0.07 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.45 1bvm n PRO 18 Cb 0.51 -1.40 -0.08 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.90 0.42 0.00 1.53 4.77 -1.26 -4.15 117.00 117.41 1bvm n LEU 19 Ca 0.14 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1bvm n LEU 19 Cb 0.06 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1bvm n LEU 19 CO 0.11 0.10 0.25 0.18 -1.33 0.00 0.00 177.39 176.69 1bvm n LEU 20 N -1.49 0.97 0.08 2.23 4.77 -1.10 -4.74 117.00 117.73 1bvm n LEU 20 Ca 0.01 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 1bvm n LEU 20 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1bvm n LEU 20 CO 0.26 0.24 -0.01 0.47 -1.33 0.00 0.00 177.39 177.02 1bvm n ASP 21 N -0.04 0.64 -2.64 -1.43 8.00 -0.93 -4.83 116.55 115.32 1bvm n ASP 21 Ca 0.00 0.25 -0.30 0.00 0.71 0.00 0.00 54.79 55.46 1bvm n ASP 21 Cb 0.05 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.03 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 -3.47 1.82 -4.86 1.24 3.72 -1.26 -4.87 117.46 109.79 1bvm n PHE 22 Ca 0.00 -2.06 -0.30 0.00 -0.05 0.00 0.00 57.45 55.03 1bvm n PHE 22 Cb 0.01 -1.40 -0.17 0.00 -0.94 0.00 0.00 39.48 36.98 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 0.20 2.80 -1.02 4.37 3.84 -1.26 -4.59 114.94 119.29 1bvm s ASN 23 Ca 0.58 -0.51 -0.17 0.00 0.21 0.00 0.00 52.86 52.97 1bvm s ASN 23 Cb 0.37 -1.28 0.02 0.00 -0.55 0.00 0.00 41.25 39.80 1bvm s ASN 23 CO -0.23 0.10 0.67 -3.20 -2.79 0.00 0.00 177.10 171.65 1bvm n ASN 24 N 3.82 -4.87 -4.30 -4.21 2.85 -1.22 -4.75 115.26 102.58 1bvm n ASN 24 Ca -0.20 -1.04 -0.18 0.00 -0.11 0.00 0.00 54.58 53.05 1bvm n ASN 24 Cb 0.52 -2.20 -0.11 0.00 1.24 0.00 0.00 39.78 39.24 1bvm n ASN 24 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1bvm s TYR 25 N -3.27 1.56 0.00 1.20 6.14 0.59 -3.12 117.35 120.45 1bvm s TYR 25 Ca 0.27 -0.58 0.00 0.00 0.64 0.00 0.00 57.07 57.40 1bvm s TYR 25 Cb -0.13 -0.77 0.00 0.00 0.42 0.00 0.00 41.96 41.48 1bvm s TYR 25 CO 0.91 0.24 0.00 0.41 0.64 0.00 0.00 175.55 177.75 1bvm n GLY 26 N 0.03 0.20 0.08 8.97 0.00 -1.24 -2.53 105.19 110.71 1bvm n GLY 26 Ca -0.11 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.25 1bvm n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bvm n TYR 28 N -3.19 0.09 -1.39 0.00 4.01 -1.25 -1.13 117.16 114.30 1bvm n TYR 28 Ca -0.06 0.04 -0.59 0.00 -0.16 0.00 0.00 57.90 57.13 1bvm n TYR 28 Cb 0.92 -0.48 -0.10 0.00 -0.31 0.00 0.00 39.34 39.37 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 6.60 4.05 2.62 0.00 0.00 -1.26 0.22 105.19 117.42 1bvm n GLY 30 Ca 0.47 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 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 7.55 0.00 0.99 7.94 -1.26 -4.49 117.00 127.73 1bvm n LEU 31 Ca 0.00 -4.91 0.00 0.00 -1.11 0.00 0.00 56.01 49.99 1bvm n LEU 31 Cb 0.00 -1.36 0.00 0.00 0.53 0.00 0.00 43.42 42.59 1bvm n LEU 31 CO 0.00 1.88 0.00 0.61 -1.11 0.00 0.00 177.39 178.77 1bvm n GLY 32 N 1.73 -1.42 3.79 -3.96 0.00 -1.26 -5.10 105.19 98.97 1bvm n GLY 32 Ca 0.53 0.61 -0.03 0.00 0.00 0.00 0.00 46.02 47.13 1bvm n GLY 32 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1bvm s GLY 33 N 0.00 -0.12 0.00 -0.02 0.00 -1.26 -5.04 107.32 100.88 1bvm s GLY 33 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.74 1bvm s GLY 33 CO 0.00 1.04 0.00 -1.14 0.00 0.00 0.00 173.10 173.00 1bvm n SER 34 N -0.77 0.00 0.00 1.64 3.41 -0.28 -4.82 113.62 112.79 1bvm n SER 34 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1bvm n SER 34 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 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 -0.44 1.94 3.54 5.00 0.00 -1.26 -4.93 105.19 109.03 1bvm n GLY 35 Ca 0.00 -2.12 -0.44 0.00 0.00 0.00 0.00 46.02 43.46 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 2.01 -1.03 2.61 -1.04 -1.20 -4.79 114.28 109.57 1bvm n THR 36 Ca 0.00 -0.50 -0.21 0.00 -2.04 0.00 0.00 64.05 61.30 1bvm n THR 36 Cb 0.00 -0.79 0.17 0.00 -1.82 0.00 0.00 70.33 67.89 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 0.65 -2.18 0.00 -2.82 -0.04 -1.26 -4.70 135.00 124.65 1bvm n PRO 37 Ca 0.11 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.31 1bvm n PRO 37 Cb 0.34 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 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 -3.97 0.00 -4.63 0.52 0.24 -1.26 -4.94 118.33 104.29 1bvm n VAL 38 Ca 0.11 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.13 1bvm n VAL 38 Cb 0.41 -0.15 -0.10 0.00 -1.47 0.00 0.00 33.84 32.53 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 -3.36 3.67 0.19 -1.34 2.15 -1.26 -5.03 116.67 111.68 1bvm s ASP 39 Ca 0.00 -1.46 -0.11 0.00 0.43 0.00 0.00 52.55 51.41 1bvm s ASP 39 Cb 0.00 -0.07 0.10 0.00 -0.30 0.00 0.00 42.92 42.66 1bvm s ASP 39 CO 0.00 -0.60 1.76 -0.78 -0.17 0.00 0.00 175.17 175.38 1bvm h ASP 40 N 1.71 0.89 -0.34 -0.34 3.58 -2.00 -2.18 116.42 117.74 1bvm h ASP 40 Ca -0.43 -0.15 -0.04 0.00 0.42 0.00 0.00 57.03 56.83 1bvm h ASP 40 Cb 1.26 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 1bvm h ASP 40 CO 0.76 0.79 0.07 0.25 -2.88 0.00 0.00 179.24 178.24 1bvm h LEU 41 N 0.93 0.53 -1.08 2.28 5.85 -1.93 -2.52 115.31 119.36 1bvm h LEU 41 Ca 0.23 -0.24 0.11 0.00 0.84 0.00 0.00 57.88 58.81 1bvm h LEU 41 Cb 0.16 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 1bvm h LEU 41 CO -0.02 0.63 0.62 -0.78 -0.34 0.00 0.00 178.44 178.54 1bvm h ASP 42 N 0.40 0.89 -0.97 1.25 3.58 -1.88 0.59 116.42 120.28 1bvm h ASP 42 Ca 0.11 0.03 0.06 0.00 0.42 0.00 0.00 57.03 57.65 1bvm h ASP 42 Cb 0.32 -0.15 -0.06 0.00 1.72 0.00 0.00 39.33 41.16 1bvm h ASP 42 CO 0.00 0.51 0.63 0.03 -2.88 0.00 0.00 179.24 177.53 1bvm h ARG 43 N 0.98 1.11 -0.95 0.28 3.08 -0.97 -1.01 114.38 116.90 1bvm h ARG 43 Ca 0.46 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.50 1bvm h ARG 43 Cb 0.42 -0.25 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 1bvm h ARG 43 CO -0.22 0.73 0.62 0.00 -1.07 0.00 0.00 179.97 180.04 1bvm h GLN 46 N 0.36 0.77 -0.18 0.00 4.15 -0.95 0.16 115.11 119.42 1bvm h GLN 46 Ca 0.10 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.40 1bvm h GLN 46 Cb 0.37 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1bvm h GLN 46 CO 0.01 0.51 -0.19 1.15 -1.93 0.00 0.00 178.83 178.38 1bvm h THR 47 N 0.79 1.22 0.08 2.39 2.02 -1.02 -1.34 112.91 117.06 1bvm h THR 47 Ca 0.44 -1.02 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 1bvm h THR 47 Cb 0.58 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1bvm h THR 47 CO -0.21 0.32 -0.04 -0.74 0.37 0.00 0.00 175.52 175.22 1bvm h HIS 48 N 0.29 -0.10 -0.67 3.16 -0.00 -0.35 -1.79 115.15 115.69 1bvm h HIS 48 Ca 0.05 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.43 1bvm h HIS 48 Cb 0.51 0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.92 1bvm h HIS 48 CO 0.01 0.14 0.44 -0.44 -0.00 0.00 0.00 177.93 178.08 1bvm h ASP 49 N -0.34 0.77 -0.69 3.26 3.32 -1.28 -1.22 116.42 120.24 1bvm h ASP 49 Ca -0.01 -0.02 0.11 0.00 0.02 0.00 0.00 57.03 57.13 1bvm h ASP 49 Cb 0.29 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1bvm h ASP 49 CO 0.02 0.55 0.46 0.78 -1.72 0.00 0.00 179.24 179.33 1bvm h ASN 50 N 0.90 0.44 -0.17 6.45 -0.26 -1.05 -1.28 115.58 120.62 1bvm h ASN 50 Ca 0.24 0.01 -0.11 0.00 -0.56 0.00 0.00 56.30 55.89 1bvm h ASN 50 Cb -0.11 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.08 1bvm h ASN 50 CO -0.05 0.25 -0.31 0.00 -1.06 0.00 0.00 177.43 176.26 1bvm h TYR 52 N 0.14 0.00 0.05 0.00 -1.99 -0.61 0.09 116.97 114.65 1bvm h TYR 52 Ca 0.01 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.74 1bvm h TYR 52 Cb 0.90 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.63 1bvm h TYR 52 CO 0.10 0.00 -0.03 0.87 -0.00 0.00 0.00 178.16 179.10 1bvm h LYS 53 N 0.00 -0.07 -0.76 4.88 1.57 -1.18 -2.95 116.57 118.05 1bvm h LYS 53 Ca 0.01 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.93 1bvm h LYS 53 Cb 0.07 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 1bvm h LYS 53 CO -0.00 0.53 0.50 1.96 -0.57 0.00 0.00 179.45 181.87 1bvm h GLN 54 N -0.90 0.51 -0.44 3.15 1.08 -0.90 -1.01 115.11 116.60 1bvm h GLN 54 Ca -0.01 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 1bvm h GLN 54 Cb 0.63 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 1bvm h GLN 54 CO 0.01 0.34 0.07 0.00 -0.95 0.00 0.00 178.83 178.30 1bvm h ALA 55 N 1.64 0.59 -0.59 3.87 0.00 -1.02 -2.39 119.26 121.36 1bvm h ALA 55 Ca 0.37 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1bvm h ALA 55 Cb 0.71 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1bvm h ALA 55 CO -0.13 0.31 -0.00 0.87 0.00 0.00 0.00 179.25 180.30 1bvm h LYS 56 N 0.60 1.04 -0.03 0.00 1.57 -1.04 -2.68 116.57 116.03 1bvm h LYS 56 Ca 0.14 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 1bvm h LYS 56 Cb 0.38 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 1bvm h LYS 56 CO 0.01 1.02 -0.09 0.87 -0.57 0.00 0.00 179.45 180.69 1bvm h LYS 57 N 0.93 0.04 -6.58 3.15 6.56 -1.18 -3.34 116.57 116.15 1bvm h LYS 57 Ca 0.17 -0.01 -0.59 0.00 -1.06 0.00 0.00 60.65 59.16 1bvm h LYS 57 Cb 0.56 -0.01 0.10 0.00 -0.57 0.00 0.00 32.23 32.31 1bvm h LYS 57 CO 0.03 0.14 0.39 1.28 -2.06 0.00 0.00 179.45 179.23 1bvm n LEU 58 N -4.40 2.69 0.34 2.94 4.77 -0.92 -4.80 117.00 117.62 1bvm n LEU 58 Ca -0.02 1.18 -0.18 0.00 -0.03 0.00 0.00 56.01 56.96 1bvm n LEU 58 Cb 0.18 -1.38 -0.09 0.00 -2.33 0.00 0.00 43.42 39.80 1bvm n LEU 58 CO 0.36 -0.86 0.59 -0.78 -1.33 0.00 0.00 177.39 175.37 1bvm h ASP 59 N 2.83 -1.06 -0.83 -1.43 3.58 -1.88 -0.20 116.42 117.43 1bvm h ASP 59 Ca -0.43 0.07 0.13 0.00 0.42 0.00 0.00 57.03 57.21 1bvm h ASP 59 Cb 1.31 0.32 -0.14 0.00 1.72 0.00 0.00 39.33 42.54 1bvm h ASP 59 CO 0.66 -0.62 -0.39 0.28 -2.88 0.00 0.00 179.24 176.29 1bvm h SER 60 N -0.97 -1.41 -0.96 2.28 0.02 -1.93 0.69 113.55 111.27 1bvm h SER 60 Ca -0.07 0.28 0.03 0.00 -0.84 0.00 0.00 61.79 61.19 1bvm h SER 60 Cb 0.80 0.71 -0.05 0.00 0.14 0.00 0.00 62.40 64.00 1bvm h SER 60 CO 0.04 -0.30 0.63 0.00 -1.14 0.00 0.00 176.83 176.07 1bvm h LYS 62 N 1.23 0.02 -2.10 0.00 1.63 0.23 -3.03 116.57 114.55 1bvm h LYS 62 Ca 0.37 -0.00 -0.58 0.00 -0.85 0.00 0.00 60.65 59.60 1bvm h LYS 62 Cb -0.03 -0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 31.19 1bvm h LYS 62 CO -0.11 0.01 -0.91 0.28 -3.45 0.00 0.00 179.45 175.28 1bvm n VAL 63 N -5.51 0.43 0.17 2.00 0.31 -0.94 -4.78 118.33 110.02 1bvm n VAL 63 Ca 0.18 -4.44 0.00 0.00 -0.01 0.00 0.00 64.34 60.07 1bvm n VAL 63 Cb 0.59 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.52 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 1.27 -1.17 -0.70 7.52 4.77 -1.09 -4.97 117.00 122.63 1bvm n LEU 64 Ca 0.25 0.59 0.01 0.00 -0.03 0.00 0.00 56.01 56.82 1bvm n LEU 64 Cb 0.48 1.27 0.00 0.00 -2.33 0.00 0.00 43.42 42.84 1bvm n LEU 64 CO 0.26 -0.52 0.21 0.52 -1.33 0.00 0.00 177.39 176.54 1bvm n VAL 65 N -3.45 0.00 -4.92 4.08 0.31 -1.26 -5.10 118.33 107.99 1bvm n VAL 65 Ca 0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1bvm n VAL 65 Cb 0.00 0.58 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 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 0.10 -4.27 -4.00 4.52 -0.08 -1.26 -4.36 116.55 107.19 1bvm n ASP 66 Ca 0.01 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.92 1bvm n ASP 66 Cb 0.78 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.28 1bvm n ASP 66 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1bvm n ASN 67 N -2.72 -5.54 0.23 1.67 3.02 -1.26 -4.80 115.26 105.86 1bvm n ASN 67 Ca 0.00 0.15 0.15 0.00 -0.03 0.00 0.00 54.58 54.85 1bvm n ASN 67 Cb 0.00 -0.72 0.48 0.00 -0.61 0.00 0.00 39.78 38.94 1bvm n ASN 67 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1bvm h PRO 68 N -1.00 0.00 0.31 3.52 0.13 -1.88 -3.25 132.00 129.82 1bvm h PRO 68 Ca -0.43 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 1bvm h PRO 68 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1bvm h PRO 68 CO 0.23 0.00 -0.15 1.88 -0.23 0.00 0.00 178.00 179.73 1bvm h TYR 69 N 0.00 -0.38 -0.00 1.56 -1.99 -1.93 -2.87 116.97 111.35 1bvm h TYR 69 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1bvm h TYR 69 Cb 0.67 0.13 -0.00 0.00 2.00 0.00 0.00 36.73 39.53 1bvm h TYR 69 CO 0.00 -0.24 0.33 0.00 -0.00 0.00 0.00 178.16 178.25 1bvm h THR 70 N -0.55 0.00 -1.89 -2.88 1.03 -1.87 -3.36 112.91 103.39 1bvm h THR 70 Ca -0.04 0.00 -0.52 0.00 -0.01 0.00 0.00 66.41 65.84 1bvm h THR 70 Cb 0.32 0.67 -0.07 0.00 -1.07 0.00 0.00 68.15 68.00 1bvm h THR 70 CO 0.07 0.00 1.18 0.21 -0.01 0.00 0.00 175.52 176.97 1bvm s ASN 71 N -4.45 5.93 -0.79 0.00 3.84 -1.08 -4.94 114.94 113.44 1bvm s ASN 71 Ca -0.03 -0.48 -0.21 0.00 0.21 0.00 0.00 52.86 52.35 1bvm s ASN 71 Cb 0.09 -2.55 0.09 0.00 -0.55 0.00 0.00 41.25 38.32 1bvm s ASN 71 CO 0.28 -1.98 1.07 0.21 -2.79 0.00 0.00 177.10 173.88 1bvm s ASN 72 N 5.37 6.37 0.93 -4.21 2.47 -1.26 -4.93 114.94 119.68 1bvm s ASN 72 Ca 0.48 -1.43 -0.01 0.00 0.42 0.00 0.00 52.86 52.32 1bvm s ASN 72 Cb -0.07 -2.43 0.01 0.00 -1.45 0.00 0.00 41.25 37.31 1bvm s ASN 72 CO 0.10 -1.31 0.08 0.00 -3.72 0.00 0.00 177.10 172.25 1bvm n TYR 73 N 7.38 -3.92 -4.34 0.43 0.18 -1.26 -4.99 117.16 110.64 1bvm n TYR 73 Ca 0.10 -0.08 -0.18 0.00 1.88 0.00 0.00 57.90 59.63 1bvm n TYR 73 Cb 0.47 -0.06 -0.10 0.00 -0.38 0.00 0.00 39.34 39.27 1bvm n TYR 73 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 1bvm s SER 74 N -1.29 2.29 0.00 9.48 0.01 -1.26 -5.00 113.70 117.93 1bvm s SER 74 Ca 0.05 -1.10 0.00 0.00 1.31 0.00 0.00 55.95 56.21 1bvm s SER 74 Cb -0.00 -0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1bvm s SER 74 CO 0.03 -0.31 0.00 0.00 0.41 0.00 0.00 173.24 173.37 1bvm n TYR 75 N -0.39 -0.51 -3.83 2.43 4.11 -1.26 -3.73 117.16 113.98 1bvm n TYR 75 Ca -0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 57.90 57.75 1bvm n TYR 75 Cb 0.62 0.00 0.02 0.00 -0.00 0.00 0.00 39.34 39.98 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 -0.41 0.01 0.24 9.48 0.01 0.75 -4.88 113.70 118.90 1bvm s SER 76 Ca 0.00 -1.04 0.03 0.00 1.31 0.00 0.00 55.95 56.25 1bvm s SER 76 Cb 0.00 0.76 -0.05 0.00 0.21 0.00 0.00 66.02 66.94 1bvm s SER 76 CO 0.00 -1.51 0.03 0.00 0.41 0.00 0.00 173.24 172.17 1bvm n SER 78 N -0.44 0.00 -4.10 0.00 7.64 -0.32 -4.80 113.62 111.60 1bvm n SER 78 Ca -0.03 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.51 1bvm n SER 78 Cb 0.65 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.81 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 -1.26 -4.22 6.43 4.13 -1.26 0.58 115.26 119.66 1bvm n ASN 79 Ca 0.00 -1.19 -0.36 0.00 1.68 0.00 0.00 54.58 54.72 1bvm n ASN 79 Cb 0.00 -2.19 -0.03 0.00 -1.54 0.00 0.00 39.78 36.02 1bvm n ASN 79 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1bvm n ASN 80 N -2.72 -2.92 -4.06 6.41 5.03 -1.26 -4.92 115.26 110.82 1bvm n ASN 80 Ca -0.25 -1.03 -0.07 0.00 0.87 0.00 0.00 54.58 54.10 1bvm n ASN 80 Cb 0.65 -2.71 -0.10 0.00 -1.02 0.00 0.00 39.78 36.60 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 0.56 -0.10 3.52 2.02 0.20 -4.33 118.70 113.63 1bvm s GLU 81 Ca 0.67 -1.08 -0.07 0.00 0.02 0.00 0.00 54.97 54.51 1bvm s GLU 81 Cb -0.37 0.19 -0.04 0.00 0.10 0.00 0.00 34.13 34.02 1bvm s GLU 81 CO 0.93 -0.10 0.15 0.42 0.02 0.00 0.00 175.26 176.68 1bvm s ILE 82 N -3.40 5.49 -0.08 -1.63 1.01 -1.26 -1.17 121.20 120.16 1bvm s ILE 82 Ca 0.02 0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.87 1bvm s ILE 82 Cb 0.04 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.06 1bvm s ILE 82 CO -0.08 0.58 -0.13 -0.89 0.00 0.00 0.00 174.94 174.42 1bvm s THR 83 N -1.07 3.11 -0.04 2.92 2.01 0.52 -4.90 115.64 118.18 1bvm s THR 83 Ca 0.17 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.53 1bvm s THR 83 Cb -0.12 -2.25 -0.01 0.00 0.01 0.00 0.00 72.50 70.13 1bvm s THR 83 CO 0.06 0.57 -0.18 0.00 -0.69 0.00 0.00 174.62 174.38 1bvm s SER 85 N -0.07 6.55 0.41 0.00 1.04 -1.24 -4.83 113.70 115.56 1bvm s SER 85 Ca -0.02 2.52 0.28 0.00 0.48 0.00 0.00 55.95 59.21 1bvm s SER 85 Cb -0.11 -2.55 1.50 0.00 0.10 0.00 0.00 66.02 64.97 1bvm s SER 85 CO 0.02 -0.97 1.85 0.77 0.98 0.00 0.00 173.24 175.90 1bvm h SER 86 N 9.38 0.00 -0.31 7.02 4.64 -1.98 -1.94 113.55 130.37 1bvm h SER 86 Ca -0.44 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 60.97 1bvm h SER 86 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1bvm h SER 86 CO 0.94 0.00 0.27 -0.33 -0.87 0.00 0.00 176.83 176.84 1bvm h GLU 87 N 0.00 0.00 -6.26 4.77 5.08 -2.00 -3.42 114.58 112.74 1bvm h GLU 87 Ca 0.00 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.69 1bvm h GLU 87 Cb 0.01 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.34 1bvm h GLU 87 CO 0.00 0.00 0.23 0.09 -1.00 0.00 0.00 179.01 178.33 1bvm n ASN 88 N -4.06 1.10 -2.20 1.42 3.02 -0.73 -4.93 115.26 108.87 1bvm n ASN 88 Ca 0.05 1.14 -0.02 0.00 -0.03 0.00 0.00 54.58 55.72 1bvm n ASN 88 Cb 0.43 -1.16 0.01 0.00 -0.61 0.00 0.00 39.78 38.45 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 2.05 0.12 -0.31 6.41 0.23 -1.26 -4.15 115.26 118.35 1bvm n ASN 89 Ca 0.16 -1.10 0.15 0.00 -0.53 0.00 0.00 54.58 53.27 1bvm n ASN 89 Cb 0.22 -0.04 0.32 0.00 -2.08 0.00 0.00 39.78 38.20 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 -0.14 1.37 0.00 -2.53 0.00 -1.97 2.29 119.26 118.28 1bvm h ALA 90 Ca -0.02 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1bvm h ALA 90 Cb 0.09 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1bvm h ALA 90 CO 0.03 -0.52 -0.07 0.00 0.00 0.00 0.00 179.25 178.68 1bvm h GLU 92 N -1.00 1.01 -0.46 0.00 4.57 -1.74 -1.52 114.58 115.44 1bvm h GLU 92 Ca -0.02 -0.10 -0.14 0.00 -1.18 0.00 0.00 59.36 57.93 1bvm h GLU 92 Cb 0.62 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1bvm h GLU 92 CO -0.01 0.72 -0.26 0.00 -1.18 0.00 0.00 179.01 178.29 1bvm h ALA 93 N 1.45 0.68 -0.66 2.92 0.00 0.37 -2.69 119.26 121.32 1bvm h ALA 93 Ca 0.26 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1bvm h ALA 93 Cb -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1bvm h ALA 93 CO -0.05 0.68 0.12 0.35 0.00 0.00 0.00 179.25 180.35 1bvm h PHE 94 N 0.83 1.14 -0.64 0.00 3.04 -0.99 -2.52 116.94 117.81 1bvm h PHE 94 Ca 0.10 -0.15 -0.02 0.00 3.98 0.00 0.00 57.97 61.87 1bvm h PHE 94 Cb 0.84 -0.32 -0.03 0.00 2.56 0.00 0.00 35.95 39.00 1bvm h PHE 94 CO 0.05 0.96 0.32 0.82 -2.02 0.00 0.00 178.31 178.44 1bvm h ILE 95 N 1.00 1.22 -0.81 1.41 2.04 -1.20 -2.35 117.51 118.82 1bvm h ILE 95 Ca 0.20 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 1bvm h ILE 95 Cb 0.42 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1bvm h ILE 95 CO 0.01 0.25 0.48 0.00 0.00 0.00 0.00 178.15 178.89 1bvm h ASN 97 N 1.12 0.20 -0.06 0.00 2.35 -1.00 0.21 115.58 118.41 1bvm h ASN 97 Ca 0.29 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 1bvm h ASN 97 Cb -0.04 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 1bvm h ASN 97 CO -0.05 0.22 -0.02 0.00 -1.65 0.00 0.00 177.43 175.92 1bvm h ASP 99 N -0.23 0.42 0.51 0.00 5.19 -1.23 -1.70 116.42 119.38 1bvm h ASP 99 Ca 0.01 -0.23 -0.03 0.00 -0.62 0.00 0.00 57.03 56.17 1bvm h ASP 99 Cb 0.43 -0.12 0.01 0.00 0.18 0.00 0.00 39.33 39.82 1bvm h ASP 99 CO 0.01 0.90 -0.25 -0.09 -3.12 0.00 0.00 179.24 176.69 1bvm h ARG 100 N 0.28 -0.66 -0.17 3.56 9.65 -0.54 -1.13 114.38 125.37 1bvm h ARG 100 Ca 0.00 0.05 0.05 0.00 -1.10 0.00 0.00 59.98 58.97 1bvm h ARG 100 Cb 1.08 0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.81 1bvm h ARG 100 CO 0.10 -0.44 0.13 -0.91 2.80 0.00 0.00 179.97 181.64 1bvm h ASN 101 N -1.12 0.00 0.13 -3.80 4.21 -1.10 0.11 115.58 114.01 1bvm h ASN 101 Ca -0.07 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.43 1bvm h ASN 101 Cb 0.53 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 1bvm h ASN 101 CO 0.12 0.00 -0.06 0.00 -1.29 0.00 0.00 177.43 176.19 1bvm h ALA 102 N 1.90 -0.18 -0.50 -0.83 0.00 -1.26 -2.10 119.26 116.28 1bvm h ALA 102 Ca 0.08 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1bvm h ALA 102 Cb 0.34 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1bvm h ALA 102 CO -0.00 -0.33 0.05 0.00 0.00 0.00 0.00 179.25 178.97 1bvm h ALA 103 N -0.02 1.14 -0.29 0.00 0.00 -0.74 -2.37 119.26 116.98 1bvm h ALA 103 Ca -0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 1bvm h ALA 103 Cb 0.53 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1bvm h ALA 103 CO 0.03 0.56 0.02 0.82 0.00 0.00 0.00 179.25 180.68 1bvm h ILE 104 N 0.77 1.16 -0.18 0.00 2.04 -0.82 -2.72 117.51 117.76 1bvm h ILE 104 Ca 0.16 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1bvm h ILE 104 Cb 0.40 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1bvm h ILE 104 CO 0.01 0.22 0.04 0.00 0.00 0.00 0.00 178.15 178.41 1bvm h PHE 106 N 0.09 1.04 0.00 0.00 0.04 -1.35 0.61 116.94 117.37 1bvm h PHE 106 Ca 0.06 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1bvm h PHE 106 Cb 0.29 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.12 1bvm h PHE 106 CO 0.01 0.34 -0.03 -1.13 -0.60 0.00 0.00 178.31 176.91 1bvm n SER 107 N -4.65 0.05 -0.02 2.17 3.41 -0.98 -3.42 113.62 110.18 1bvm n SER 107 Ca 0.20 0.46 0.07 0.00 -0.26 0.00 0.00 58.87 59.34 1bvm n SER 107 Cb 0.46 -0.47 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 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 -1.53 0.67 -4.13 4.33 4.76 0.17 -4.98 118.16 117.45 1bvm n LYS 108 Ca 0.07 -0.15 -0.23 0.00 -2.87 0.00 0.00 58.31 55.14 1bvm n LYS 108 Cb 0.34 -1.45 -0.06 0.00 -1.84 0.00 0.00 35.03 32.02 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 -3.17 3.54 0.09 -0.18 -7.23 0.14 -5.06 120.40 108.53 1bvm s VAL 109 Ca -0.07 -1.66 -0.02 0.00 -1.81 0.00 0.00 61.98 58.42 1bvm s VAL 109 Cb 0.11 -3.05 0.02 0.00 0.56 0.00 0.00 36.38 34.02 1bvm s VAL 109 CO 0.78 -0.28 0.09 -0.81 -0.31 0.00 0.00 175.10 174.57 1bvm n PRO 110 N -1.10 -0.85 -3.46 4.82 -0.04 -1.26 -4.82 135.00 128.29 1bvm n PRO 110 Ca -0.05 -0.14 -0.12 0.00 -0.04 0.00 0.00 63.50 63.14 1bvm n PRO 110 Cb 0.60 -0.12 -0.10 0.00 -0.04 0.00 0.00 33.50 33.83 1bvm n PRO 110 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1bvm s TYR 111 N -1.18 -0.61 -0.26 0.54 5.04 -1.26 -4.41 117.35 115.22 1bvm s TYR 111 Ca 0.06 0.74 -0.12 0.00 -2.44 0.00 0.00 57.07 55.31 1bvm s TYR 111 Cb -0.00 -0.07 -0.05 0.00 0.35 0.00 0.00 41.96 42.19 1bvm s TYR 111 CO 0.04 -0.61 0.21 -0.80 -1.34 0.00 0.00 175.55 173.05 1bvm s ASN 112 N 2.47 6.11 0.00 4.32 0.01 -1.26 -4.94 114.94 121.64 1bvm s ASN 112 Ca 0.08 0.10 0.28 0.00 -0.71 0.00 0.00 52.86 52.61 1bvm s ASN 112 Cb -0.15 -2.13 1.27 0.00 0.41 0.00 0.00 41.25 40.65 1bvm s ASN 112 CO -0.13 -0.02 1.92 2.29 -1.51 0.00 0.00 177.10 179.65 1bvm n LYS 113 N 4.75 0.14 0.11 -0.60 2.85 -1.26 -3.36 118.16 120.80 1bvm n LYS 113 Ca -0.13 0.02 -0.03 0.00 -1.05 0.00 0.00 58.31 57.12 1bvm n LYS 113 Cb 0.52 -1.50 0.16 0.00 -0.65 0.00 0.00 35.03 33.56 1bvm n LYS 113 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1bvm h GLU 114 N 0.00 0.12 -0.13 -1.58 5.08 -2.04 -2.69 114.58 113.34 1bvm h GLU 114 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1bvm h GLU 114 Cb 0.40 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1bvm h GLU 114 CO 0.00 0.67 0.00 0.72 -1.00 0.00 0.00 179.01 179.40 1bvm n HIS 115 N -3.86 0.16 -2.10 4.33 8.25 -1.21 -4.87 115.22 115.91 1bvm n HIS 115 Ca -0.02 -0.08 -0.38 0.00 -0.26 0.00 0.00 57.72 56.98 1bvm n HIS 115 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 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 -1.84 3.74 -1.42 -0.41 2.20 -1.02 -3.27 119.74 117.73 1bvm s LYS 116 Ca 0.27 1.99 -0.13 0.00 -0.36 0.00 0.00 55.97 57.75 1bvm s LYS 116 Cb 0.14 -2.52 0.02 0.00 -1.51 0.00 0.00 37.83 33.96 1bvm s LYS 116 CO 0.21 -0.63 0.28 0.09 -0.36 0.00 0.00 175.35 174.94 1bvm n ASN 117 N -0.33 -1.01 -4.67 1.43 3.02 -1.18 -4.91 115.26 107.61 1bvm n ASN 117 Ca 0.06 -1.27 -0.29 0.00 -0.03 0.00 0.00 54.58 53.06 1bvm n ASN 117 Cb 0.46 -1.74 0.12 0.00 -0.61 0.00 0.00 39.78 38.01 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 -7.38 2.60 -0.25 3.41 2.96 -1.20 -5.01 118.68 113.81 1bvm s LEU 118 Ca 0.18 0.58 -0.23 0.00 -0.22 0.00 0.00 54.13 54.44 1bvm s LEU 118 Cb -0.10 -2.95 -0.01 0.00 0.50 0.00 0.00 46.19 43.63 1bvm s LEU 118 CO 0.98 -2.12 0.75 -0.62 -1.32 0.00 0.00 176.35 174.02 1bvm s ASP 119 N -4.67 6.73 0.66 3.68 -1.08 -1.26 -4.90 116.67 115.82 1bvm s ASP 119 Ca 0.65 0.89 0.23 0.00 -0.52 0.00 0.00 52.55 53.81 1bvm s ASP 119 Cb -0.09 -2.40 1.24 0.00 -1.46 0.00 0.00 42.92 40.21 1bvm s ASP 119 CO 0.50 -0.47 1.70 0.11 0.52 0.00 0.00 175.17 177.53 1bvm h LYS 120 N 7.78 0.00 0.00 4.34 1.57 -1.95 0.32 116.57 128.63 1bvm h LYS 120 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1bvm h LYS 120 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1bvm h LYS 120 CO 0.84 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 181.35 1bvm n LYS 121 N -2.89 0.14 0.00 3.15 4.76 -1.26 0.60 118.16 122.66 1bvm n LYS 121 Ca 0.00 0.58 0.10 0.00 -2.87 0.00 0.00 58.31 56.13 1bvm n LYS 121 Cb 0.58 -1.91 -0.05 0.00 -1.84 0.00 0.00 35.03 31.80 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 -2.21 1.26 -0.72 4.39 3.02 0.11 -5.23 115.26 115.89 1bvm n ASN 122 Ca -0.01 -1.10 0.13 0.00 -0.03 0.00 0.00 54.58 53.58 1bvm n ASN 122 Cb 0.07 0.79 0.32 0.00 -0.61 0.00 0.00 39.78 40.35 1bvm n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64