#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 0.38 0.13 0.00 4.77 -1.26 -4.78 117.00 116.24 1bvm n LEU 2 Ca 0.00 -0.38 -0.01 0.00 -0.03 0.00 0.00 56.01 55.59 1bvm n LEU 2 Cb 0.00 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.25 1bvm n LEU 2 CO 0.00 0.09 0.48 4.11 -1.33 0.00 0.00 177.39 180.75 1bvm h TRP 3 N 0.00 0.00 -0.02 -1.77 5.08 -2.02 -3.22 115.95 114.00 1bvm h TRP 3 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.97 1bvm h TRP 3 Cb 0.54 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.70 1bvm h TRP 3 CO 0.00 0.63 -0.00 1.96 -1.28 0.00 0.00 178.44 179.74 1bvm h GLN 4 N 0.00 0.04 -0.96 0.12 4.20 -2.00 -2.68 115.11 113.83 1bvm h GLN 4 Ca -0.01 -0.01 0.26 0.00 0.06 0.00 0.00 58.65 58.95 1bvm h GLN 4 Cb 1.13 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.86 1bvm h GLN 4 CO 0.08 0.40 0.67 0.35 -0.67 0.00 0.00 178.83 179.66 1bvm h PHE 5 N -0.33 0.17 -0.46 2.96 3.57 -1.89 0.30 116.94 121.26 1bvm h PHE 5 Ca 0.00 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.39 1bvm h PHE 5 Cb 0.39 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 1bvm h PHE 5 CO 0.05 0.03 -0.19 -0.91 -2.23 0.00 0.00 178.31 175.06 1bvm h ASN 6 N 0.12 0.97 -0.30 0.41 4.21 -1.49 -2.46 115.58 117.02 1bvm h ASN 6 Ca 0.47 -0.39 0.09 0.00 1.21 0.00 0.00 56.30 57.68 1bvm h ASN 6 Cb 1.68 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 38.60 1bvm h ASN 6 CO -0.07 1.14 0.23 1.23 -1.29 0.00 0.00 177.43 178.67 1bvm h GLY 7 N 0.79 0.00 0.81 2.83 0.00 -0.26 -1.01 103.07 106.23 1bvm h GLY 7 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.37 1bvm h GLY 7 CO 0.06 0.00 -0.12 -0.33 0.00 0.00 0.00 176.54 176.15 1bvm h MET 8 N 0.00 0.43 0.00 4.80 2.86 -1.25 -1.95 114.93 119.82 1bvm h MET 8 Ca 0.14 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1bvm h MET 8 Cb 0.60 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.25 1bvm h MET 8 CO -0.00 0.74 -0.04 0.82 1.06 0.00 0.00 176.91 179.50 1bvm h ILE 9 N 0.12 0.31 0.02 -1.22 2.04 -1.10 -1.83 117.51 115.85 1bvm h ILE 9 Ca 0.04 -0.22 -0.25 0.00 1.00 0.00 0.00 64.86 65.43 1bvm h ILE 9 Cb 0.63 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1bvm h ILE 9 CO 0.03 0.04 -1.30 0.11 0.00 0.00 0.00 178.15 177.03 1bvm h LYS 10 N 0.00 0.04 0.14 2.37 1.79 -1.10 -2.37 116.57 117.44 1bvm h LYS 10 Ca -0.00 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1bvm h LYS 10 Cb 0.16 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1bvm h LYS 10 CO 0.00 0.86 -0.07 0.00 -1.08 0.00 0.00 179.45 179.17 1bvm h LYS 12 N -0.48 0.25 -2.62 0.00 1.57 -1.65 -3.37 116.57 110.28 1bvm h LYS 12 Ca -0.02 -0.17 -0.60 0.00 -1.87 0.00 0.00 60.65 57.99 1bvm h LYS 12 Cb 0.38 0.02 -0.40 0.00 0.08 0.00 0.00 32.23 32.31 1bvm h LYS 12 CO 0.03 0.76 -0.78 -0.89 -0.57 0.00 0.00 179.45 178.01 1bvm n ILE 13 N -3.89 0.43 0.08 1.86 5.41 -0.89 -4.91 119.36 117.45 1bvm n ILE 13 Ca -0.02 -4.29 -0.08 0.00 1.00 0.00 0.00 62.75 59.36 1bvm n ILE 13 Cb 0.60 -1.96 0.00 0.00 -0.71 0.00 0.00 39.64 37.58 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 5.22 0.21 0.00 0.38 0.13 -1.10 -3.03 132.00 133.80 1bvm h PRO 14 Ca 0.19 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1bvm h PRO 14 Cb 0.81 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1bvm h PRO 14 CO 0.58 0.94 0.00 -1.13 -0.23 0.00 0.00 178.00 178.16 1bvm n SER 15 N -3.69 0.00 -4.16 1.44 3.41 -1.26 -4.64 113.62 104.72 1bvm n SER 15 Ca -0.04 0.47 -0.23 0.00 -0.26 0.00 0.00 58.87 58.81 1bvm n SER 15 Cb 0.79 -0.48 -0.15 0.00 -0.26 0.00 0.00 64.21 64.11 1bvm n SER 15 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1bvm s SER 16 N -2.96 1.92 -0.14 4.04 0.01 -1.14 -5.13 113.70 110.29 1bvm s SER 16 Ca 0.06 -0.37 -0.09 0.00 1.31 0.00 0.00 55.95 56.86 1bvm s SER 16 Cb 0.08 -0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.08 1bvm s SER 16 CO 0.22 0.15 0.16 -1.61 0.41 0.00 0.00 173.24 172.57 1bvm s GLU 17 N -0.71 3.79 0.50 12.44 0.41 -1.26 -4.80 118.70 129.07 1bvm s GLU 17 Ca 0.05 -0.11 0.29 0.00 -0.41 0.00 0.00 54.97 54.79 1bvm s GLU 17 Cb -0.07 -3.29 0.92 0.00 -1.78 0.00 0.00 34.13 29.91 1bvm s GLU 17 CO 0.00 0.57 1.82 -1.00 -0.49 0.00 0.00 175.26 176.16 1bvm h PRO 18 N 5.68 0.00 0.00 0.39 0.13 -1.90 -2.43 132.00 133.87 1bvm h PRO 18 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 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 0.66 0.01 0.00 1.28 -0.23 0.00 0.00 178.00 179.72 1bvm n LEU 19 N -3.11 0.30 -0.22 1.56 4.77 -1.26 -2.72 117.00 116.32 1bvm n LEU 19 Ca 0.02 0.57 0.01 0.00 -0.03 0.00 0.00 56.01 56.58 1bvm n LEU 19 Cb 0.41 -0.52 0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1bvm n LEU 19 CO 0.30 -0.36 0.32 0.00 -1.33 0.00 0.00 177.39 176.33 1bvm n LEU 20 N -1.82 0.56 0.07 2.23 -0.00 -1.12 -4.79 117.00 112.13 1bvm n LEU 20 Ca 0.03 -1.07 0.00 0.00 -0.00 0.00 0.00 56.01 54.97 1bvm n LEU 20 Cb 0.21 -0.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.57 1bvm n LEU 20 CO 0.17 0.26 0.00 0.47 -0.00 0.00 0.00 177.39 178.29 1bvm n ASP 21 N -0.26 0.15 -2.03 1.45 9.92 -0.93 -4.85 116.55 119.99 1bvm n ASP 21 Ca 0.02 0.24 -0.21 0.00 -0.53 0.00 0.00 54.79 54.31 1bvm n ASP 21 Cb 0.57 0.11 0.03 0.00 -0.64 0.00 0.00 41.12 41.20 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 -3.12 1.80 -3.99 1.24 3.72 -1.10 -4.86 117.46 111.15 1bvm n PHE 22 Ca 0.00 -2.12 -0.35 0.00 -0.05 0.00 0.00 57.45 54.93 1bvm n PHE 22 Cb 0.00 -1.08 -0.14 0.00 -0.94 0.00 0.00 39.48 37.32 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 -0.10 4.07 -0.51 4.37 3.84 -1.21 -4.72 114.94 120.67 1bvm s ASN 23 Ca 0.39 -0.44 -0.24 0.00 0.21 0.00 0.00 52.86 52.79 1bvm s ASN 23 Cb 0.30 -1.68 0.03 0.00 -0.55 0.00 0.00 41.25 39.35 1bvm s ASN 23 CO -0.03 -0.01 0.64 -3.20 -2.79 0.00 0.00 177.10 171.71 1bvm n ASN 24 N 4.69 -6.39 -4.13 -4.21 2.85 -1.26 -4.81 115.26 102.00 1bvm n ASN 24 Ca -0.19 -0.03 -0.11 0.00 -0.11 0.00 0.00 54.58 54.15 1bvm n ASN 24 Cb 0.51 -3.15 -0.10 0.00 1.24 0.00 0.00 39.78 38.28 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 -2.15 0.78 0.00 1.20 5.04 0.15 -3.08 117.35 119.29 1bvm s TYR 25 Ca 0.26 -0.84 0.00 0.00 -2.44 0.00 0.00 57.07 54.05 1bvm s TYR 25 Cb -0.04 -0.47 0.00 0.00 0.35 0.00 0.00 41.96 41.80 1bvm s TYR 25 CO 0.84 -0.17 0.00 0.41 -1.34 0.00 0.00 175.55 175.29 1bvm n GLY 26 N 0.33 0.07 0.12 8.97 0.00 -1.25 -2.46 105.19 110.97 1bvm n GLY 26 Ca -0.15 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.79 0.14 -1.61 0.00 4.01 -1.25 -3.38 117.16 112.28 1bvm n TYR 28 Ca -0.01 0.06 -0.48 0.00 -0.16 0.00 0.00 57.90 57.31 1bvm n TYR 28 Cb 0.62 -0.88 -0.05 0.00 -0.31 0.00 0.00 39.34 38.72 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 5.19 0.81 0.08 0.00 0.00 -1.26 0.29 105.19 110.30 1bvm n GLY 30 Ca 0.29 -2.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 1bvm n GLY 30 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bvm h LEU 31 N 0.00 0.00 0.00 0.99 6.46 -1.96 -3.48 115.31 117.32 1bvm h LEU 31 Ca 0.00 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1bvm h LEU 31 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1bvm h LEU 31 CO 0.00 0.91 0.00 0.61 -0.62 0.00 0.00 178.44 179.34 1bvm n GLY 32 N 1.60 -0.13 0.00 3.75 0.00 -1.26 -5.09 105.19 104.06 1bvm n GLY 32 Ca -0.12 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 4.65 4.30 0.00 -0.02 0.00 -1.24 -4.72 105.19 108.16 1bvm n GLY 33 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1bvm n GLY 33 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bvm n SER 34 N 0.00 0.00 0.00 1.61 7.64 -1.22 -4.99 113.62 116.66 1bvm n SER 34 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1bvm n SER 34 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1bvm n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bvm n GLY 35 N 0.00 1.49 3.66 0.23 0.00 -1.26 -4.69 105.19 104.61 1bvm n GLY 35 Ca 0.00 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.37 3.96 -1.23 2.61 -1.04 -1.26 -4.80 114.28 111.15 1bvm n THR 36 Ca 0.00 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.05 61.26 1bvm n THR 36 Cb 0.00 -1.29 0.20 0.00 -1.82 0.00 0.00 70.33 67.42 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 -1.17 -2.28 0.00 -2.82 -0.04 -1.26 -4.59 135.00 122.83 1bvm n PRO 37 Ca 0.14 -1.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.03 1bvm n PRO 37 Cb 0.47 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 -4.21 0.00 -3.77 0.52 0.24 -1.26 -4.91 118.33 104.94 1bvm n VAL 38 Ca 0.13 -0.18 -0.10 0.00 -2.04 0.00 0.00 64.34 62.16 1bvm n VAL 38 Cb 0.50 0.68 -0.05 0.00 -1.47 0.00 0.00 33.84 33.50 1bvm n VAL 38 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1bvm s ASP 39 N -1.01 -0.16 0.34 -1.34 -1.08 -1.26 -5.01 116.67 107.15 1bvm s ASP 39 Ca 0.00 -0.54 0.09 0.00 -0.52 0.00 0.00 52.55 51.58 1bvm s ASP 39 Cb 0.00 0.51 0.82 0.00 -1.46 0.00 0.00 42.92 42.79 1bvm s ASP 39 CO 0.00 -0.95 1.83 0.44 0.52 0.00 0.00 175.17 177.01 1bvm h ASP 40 N 2.35 0.68 -0.51 -0.34 5.19 -1.99 -0.11 116.42 121.68 1bvm h ASP 40 Ca -0.31 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.16 1bvm h ASP 40 Cb 1.25 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.67 1bvm h ASP 40 CO 0.43 0.29 0.30 0.25 -3.12 0.00 0.00 179.24 177.40 1bvm h LEU 41 N 0.69 0.62 -1.16 1.55 5.85 -1.91 -2.03 115.31 118.92 1bvm h LEU 41 Ca 0.51 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.22 1bvm h LEU 41 Cb 0.87 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 1bvm h LEU 41 CO -0.27 0.51 0.58 -0.78 -0.34 0.00 0.00 178.44 178.14 1bvm h ASP 42 N 0.69 0.91 -0.91 1.25 1.82 -1.39 -0.75 116.42 118.03 1bvm h ASP 42 Ca 0.18 0.00 0.06 0.00 -0.39 0.00 0.00 57.03 56.88 1bvm h ASP 42 Cb 0.01 -0.19 -0.06 0.00 0.68 0.00 0.00 39.33 39.77 1bvm h ASP 42 CO -0.03 0.59 0.60 0.03 -1.61 0.00 0.00 179.24 178.82 1bvm h ARG 43 N 1.03 1.04 -0.97 0.28 2.47 -0.91 -1.18 114.38 116.13 1bvm h ARG 43 Ca 0.37 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 59.04 1bvm h ARG 43 Cb 0.15 -0.23 -0.05 0.00 -1.65 0.00 0.00 29.97 28.19 1bvm h ARG 43 CO -0.13 0.69 0.65 0.00 0.56 0.00 0.00 179.97 181.73 1bvm h GLN 46 N -0.18 0.49 -0.08 0.00 4.15 -1.09 0.55 115.11 118.95 1bvm h GLN 46 Ca 0.02 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.30 1bvm h GLN 46 Cb 0.36 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1bvm h GLN 46 CO 0.00 0.32 -0.43 1.15 -1.93 0.00 0.00 178.83 177.94 1bvm h THR 47 N 0.50 1.32 -0.07 2.39 2.02 -1.12 -2.58 112.91 115.36 1bvm h THR 47 Ca 0.57 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 66.19 1bvm h THR 47 Cb 1.26 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 69.40 1bvm h THR 47 CO -0.30 0.46 0.03 -0.74 0.37 0.00 0.00 175.52 175.34 1bvm h HIS 48 N 0.16 0.06 -0.24 3.16 -0.00 0.52 0.04 115.15 118.85 1bvm h HIS 48 Ca 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1bvm h HIS 48 Cb 0.83 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.21 1bvm h HIS 48 CO 0.01 0.04 0.15 -0.44 -0.00 0.00 0.00 177.93 177.69 1bvm h ASP 49 N 0.08 0.29 -0.48 3.26 3.32 -1.40 -1.29 116.42 120.19 1bvm h ASP 49 Ca 0.03 -0.04 0.11 0.00 0.02 0.00 0.00 57.03 57.15 1bvm h ASP 49 Cb 0.00 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1bvm h ASP 49 CO -0.02 0.24 0.33 0.78 -1.72 0.00 0.00 179.24 178.85 1bvm h ASN 50 N 0.31 0.16 -0.17 6.45 2.35 -1.07 -1.02 115.58 122.59 1bvm h ASN 50 Ca 0.09 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.67 1bvm h ASN 50 Cb 0.00 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.35 1bvm h ASN 50 CO -0.02 0.10 -0.57 0.00 -1.65 0.00 0.00 177.43 175.29 1bvm h TYR 52 N 0.37 0.00 0.09 0.00 -1.99 -0.31 -0.08 116.97 115.04 1bvm h TYR 52 Ca -0.02 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.70 1bvm h TYR 52 Cb 1.20 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.93 1bvm h TYR 52 CO 0.09 0.14 -0.04 0.87 -0.00 0.00 0.00 178.16 179.23 1bvm h LYS 53 N 0.00 -0.11 -0.61 4.88 1.79 -1.27 -3.05 116.57 118.21 1bvm h LYS 53 Ca -0.00 0.01 0.13 0.00 -2.18 0.00 0.00 60.65 58.61 1bvm h LYS 53 Cb 0.29 0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.93 1bvm h LYS 53 CO 0.02 0.42 0.42 1.96 -1.08 0.00 0.00 179.45 181.18 1bvm h GLN 54 N -0.87 0.26 -0.47 3.15 1.08 -1.16 -0.84 115.11 116.26 1bvm h GLN 54 Ca -0.01 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1bvm h GLN 54 Cb 0.58 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 1bvm h GLN 54 CO 0.02 0.17 0.21 0.00 -0.95 0.00 0.00 178.83 178.29 1bvm h ALA 55 N 1.70 0.61 -0.25 3.87 0.00 -0.99 -2.40 119.26 121.80 1bvm h ALA 55 Ca 0.29 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1bvm h ALA 55 Cb 0.78 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1bvm h ALA 55 CO -0.06 0.19 -0.26 0.87 0.00 0.00 0.00 179.25 179.98 1bvm h LYS 56 N 0.62 0.48 -0.50 0.00 1.57 -1.07 -2.70 116.57 114.97 1bvm h LYS 56 Ca 0.16 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1bvm h LYS 56 Cb 0.14 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1bvm h LYS 56 CO -0.02 0.70 0.30 0.87 -0.57 0.00 0.00 179.45 180.73 1bvm h LYS 57 N 0.42 0.67 -6.11 3.15 1.79 -0.92 -2.86 116.57 112.71 1bvm h LYS 57 Ca 0.06 -0.05 -0.71 0.00 -2.18 0.00 0.00 60.65 57.77 1bvm h LYS 57 Cb 0.68 -0.14 0.08 0.00 -1.58 0.00 0.00 32.23 31.26 1bvm h LYS 57 CO 0.05 0.48 -0.03 1.28 -1.08 0.00 0.00 179.45 180.15 1bvm n LEU 58 N -4.43 0.17 0.15 2.94 4.32 -0.95 -4.51 117.00 114.69 1bvm n LEU 58 Ca 0.04 1.15 -0.13 0.00 -0.02 0.00 0.00 56.01 57.05 1bvm n LEU 58 Cb 0.08 -1.03 -0.07 0.00 -1.62 0.00 0.00 43.42 40.78 1bvm n LEU 58 CO 0.36 -2.00 0.51 -0.78 -1.22 0.00 0.00 177.39 174.26 1bvm h ASP 59 N 2.57 -1.10 -0.92 -1.43 3.58 -1.89 0.82 116.42 118.05 1bvm h ASP 59 Ca -0.42 0.10 0.21 0.00 0.42 0.00 0.00 57.03 57.35 1bvm h ASP 59 Cb 1.40 0.39 -0.17 0.00 1.72 0.00 0.00 39.33 42.67 1bvm h ASP 59 CO 0.65 -0.46 -0.10 0.28 -2.88 0.00 0.00 179.24 176.73 1bvm h SER 60 N -0.65 -0.64 0.05 2.28 0.02 -1.94 0.11 113.55 112.78 1bvm h SER 60 Ca -0.03 0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1bvm h SER 60 Cb 0.61 0.50 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1bvm h SER 60 CO -0.13 -0.30 -0.02 0.00 -1.14 0.00 0.00 176.83 175.24 1bvm h LYS 62 N -0.61 0.00 0.01 0.00 3.64 0.24 0.46 116.57 120.31 1bvm h LYS 62 Ca -0.01 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.05 1bvm h LYS 62 Cb 0.54 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 1bvm h LYS 62 CO 0.01 0.00 -1.98 0.28 -2.27 0.00 0.00 179.45 175.49 1bvm n VAL 63 N -3.53 1.55 0.86 2.00 0.31 -0.15 -4.02 118.33 115.34 1bvm n VAL 63 Ca 0.13 -0.80 0.13 0.00 -0.01 0.00 0.00 64.34 63.80 1bvm n VAL 63 Cb 0.95 -0.93 0.54 0.00 -0.91 0.00 0.00 33.84 33.49 1bvm n VAL 63 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1bvm n LEU 64 N -2.99 0.19 -1.73 7.52 4.77 0.14 -4.86 117.00 120.04 1bvm n LEU 64 Ca -0.24 0.52 -0.09 0.00 -0.03 0.00 0.00 56.01 56.17 1bvm n LEU 64 Cb 1.08 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 41.69 1bvm n LEU 64 CO 0.43 -0.08 -0.09 0.52 -1.33 0.00 0.00 177.39 176.84 1bvm n VAL 65 N -1.69 -0.16 -0.72 4.08 0.31 0.26 -4.85 118.33 115.56 1bvm n VAL 65 Ca 0.06 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.07 1bvm n VAL 65 Cb 0.34 -0.98 0.15 0.00 -0.91 0.00 0.00 33.84 32.44 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 -0.67 -1.46 -4.75 4.52 -0.08 -1.26 -4.97 116.55 107.88 1bvm n ASP 66 Ca -0.09 0.26 -0.36 0.00 -1.51 0.00 0.00 54.79 53.09 1bvm n ASP 66 Cb 0.40 -1.25 -0.08 0.00 2.34 0.00 0.00 41.12 42.53 1bvm n ASP 66 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 1bvm s ASN 67 N -2.19 5.91 0.00 1.67 0.01 -1.26 -4.97 114.94 114.12 1bvm s ASN 67 Ca 0.60 0.26 0.11 0.00 -0.71 0.00 0.00 52.86 53.13 1bvm s ASN 67 Cb -0.21 -1.92 0.65 0.00 0.41 0.00 0.00 41.25 40.19 1bvm s ASN 67 CO 0.65 0.31 1.34 -0.81 -1.51 0.00 0.00 177.10 177.07 1bvm n PRO 68 N 2.64 0.90 0.05 -0.60 -0.04 -1.26 -3.19 135.00 133.49 1bvm n PRO 68 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1bvm n PRO 68 Cb 0.54 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.69 -0.36 0.25 0.54 4.02 -1.26 -4.70 117.16 114.95 1bvm n TYR 69 Ca 0.08 0.06 0.13 0.00 -0.01 0.00 0.00 57.90 58.17 1bvm n TYR 69 Cb 0.04 0.10 0.70 0.00 -0.02 0.00 0.00 39.34 40.15 1bvm n TYR 69 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 1bvm h THR 70 N 0.00 0.00 -0.87 -0.72 1.35 -1.91 -3.41 112.91 107.35 1bvm h THR 70 Ca 0.00 0.00 -0.39 0.00 -0.55 0.00 0.00 66.41 65.47 1bvm h THR 70 Cb 0.00 0.57 -0.03 0.00 -1.73 0.00 0.00 68.15 66.96 1bvm h THR 70 CO 0.00 0.00 1.44 -3.20 -0.25 0.00 0.00 175.52 173.51 1bvm n ASN 71 N -2.52 1.42 -3.41 5.36 4.05 -1.19 -4.80 115.26 114.17 1bvm n ASN 71 Ca -0.02 -0.50 -0.39 0.00 0.45 0.00 0.00 54.58 54.12 1bvm n ASN 71 Cb 0.23 -1.35 0.01 0.00 1.23 0.00 0.00 39.78 39.90 1bvm n ASN 71 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1bvm n ASN 72 N 14.22 7.56 -3.65 1.20 2.85 -1.26 -5.01 115.26 131.17 1bvm n ASN 72 Ca 0.48 -3.46 -0.27 0.00 -0.11 0.00 0.00 54.58 51.23 1bvm n ASN 72 Cb 0.37 -1.24 0.24 0.00 1.24 0.00 0.00 39.78 40.39 1bvm n ASN 72 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1bvm n TYR 73 N 0.64 -2.77 -4.46 1.20 0.18 -1.26 -5.03 117.16 105.66 1bvm n TYR 73 Ca 0.54 -0.40 -0.23 0.00 1.88 0.00 0.00 57.90 59.68 1bvm n TYR 73 Cb 0.28 -1.43 -0.10 0.00 -0.38 0.00 0.00 39.34 37.70 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 -2.55 3.44 0.28 9.48 0.01 -1.26 -5.09 113.70 118.02 1bvm s SER 74 Ca 0.58 -1.05 -0.19 0.00 1.31 0.00 0.00 55.95 56.60 1bvm s SER 74 Cb -0.13 -0.28 0.06 0.00 0.21 0.00 0.00 66.02 65.88 1bvm s SER 74 CO 0.53 -0.03 0.88 -0.72 0.41 0.00 0.00 173.24 174.31 1bvm s TYR 75 N -2.60 0.04 0.24 2.43 1.13 -1.26 -2.63 117.35 114.70 1bvm s TYR 75 Ca 0.29 -0.56 -0.06 0.00 -1.41 0.00 0.00 57.07 55.32 1bvm s TYR 75 Cb -0.03 0.76 -0.02 0.00 -1.10 0.00 0.00 41.96 41.57 1bvm s TYR 75 CO 0.14 -1.25 0.32 0.45 -2.51 0.00 0.00 175.55 172.71 1bvm s SER 76 N -3.15 0.15 0.28 -0.18 0.15 0.74 -4.89 113.70 106.80 1bvm s SER 76 Ca 0.17 -1.20 0.05 0.00 0.70 0.00 0.00 55.95 55.67 1bvm s SER 76 Cb -0.04 0.50 -0.06 0.00 -1.71 0.00 0.00 66.02 64.72 1bvm s SER 76 CO 0.08 -1.02 -0.02 0.00 1.20 0.00 0.00 173.24 173.47 1bvm n SER 78 N -0.58 0.00 -4.14 0.00 3.41 -0.80 -4.88 113.62 106.63 1bvm n SER 78 Ca -0.05 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.20 1bvm n SER 78 Cb 0.64 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.55 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 -1.30 -4.30 4.04 4.13 -1.26 0.14 115.26 116.70 1bvm n ASN 79 Ca 0.00 -1.21 -0.38 0.00 1.68 0.00 0.00 54.58 54.67 1bvm n ASN 79 Cb 0.00 -1.48 -0.04 0.00 -1.54 0.00 0.00 39.78 36.72 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 -2.32 -2.82 -4.12 6.41 5.03 -1.26 -4.91 115.26 111.26 1bvm n ASN 80 Ca -0.21 -1.06 -0.14 0.00 0.87 0.00 0.00 54.58 54.03 1bvm n ASN 80 Cb 0.59 -2.34 -0.11 0.00 -1.02 0.00 0.00 39.78 36.90 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 -7.00 0.70 -0.17 3.52 2.02 0.36 -4.59 118.70 113.54 1bvm s GLU 81 Ca 0.77 -0.96 -0.08 0.00 0.02 0.00 0.00 54.97 54.72 1bvm s GLU 81 Cb -0.43 -0.45 -0.04 0.00 0.10 0.00 0.00 34.13 33.30 1bvm s GLU 81 CO 0.94 0.08 0.10 0.42 0.02 0.00 0.00 175.26 176.82 1bvm s ILE 82 N -1.86 5.13 -0.01 -1.63 1.01 -1.26 -1.91 121.20 120.67 1bvm s ILE 82 Ca -0.02 0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.75 1bvm s ILE 82 Cb -0.07 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 1bvm s ILE 82 CO 0.00 0.50 -0.13 -0.89 0.00 0.00 0.00 174.94 174.42 1bvm s THR 83 N -0.02 3.15 -0.01 2.92 2.01 0.51 -4.92 115.64 119.28 1bvm s THR 83 Ca 0.08 -0.86 0.05 0.00 0.31 0.00 0.00 61.69 61.27 1bvm s THR 83 Cb -0.12 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.08 1bvm s THR 83 CO 0.00 0.47 -0.16 0.00 -0.69 0.00 0.00 174.62 174.24 1bvm n SER 85 N 2.65 3.65 0.31 0.00 7.64 -1.08 -4.79 113.62 122.00 1bvm n SER 85 Ca -0.15 0.97 0.17 0.00 1.01 0.00 0.00 58.87 60.87 1bvm n SER 85 Cb 0.54 -1.43 0.89 0.00 -1.01 0.00 0.00 64.21 63.20 1bvm n SER 85 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1bvm h SER 86 N 9.24 0.00 -0.02 6.43 4.64 -1.98 0.13 113.55 131.98 1bvm h SER 86 Ca -0.48 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1bvm h SER 86 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1bvm h SER 86 CO 0.94 0.00 0.04 -0.33 -0.87 0.00 0.00 176.83 176.61 1bvm h GLU 87 N 0.00 0.00 -5.51 4.77 5.08 -1.99 -3.41 114.58 113.52 1bvm h GLU 87 Ca 0.02 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.82 1bvm h GLU 87 Cb 0.57 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1bvm h GLU 87 CO -0.00 0.00 1.60 0.09 -1.00 0.00 0.00 179.01 179.70 1bvm n ASN 88 N -3.54 1.35 -3.18 1.42 4.13 0.45 -4.90 115.26 110.99 1bvm n ASN 88 Ca -0.02 0.10 -0.22 0.00 1.68 0.00 0.00 54.58 56.12 1bvm n ASN 88 Cb 0.12 -1.18 0.20 0.00 -1.54 0.00 0.00 39.78 37.38 1bvm n ASN 88 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1bvm n ASN 89 N 11.50 -3.13 -0.31 6.41 0.23 -1.26 -3.36 115.26 125.34 1bvm n ASN 89 Ca 0.51 -0.72 0.16 0.00 -0.53 0.00 0.00 54.58 54.00 1bvm n ASN 89 Cb 0.21 -0.72 0.35 0.00 -2.08 0.00 0.00 39.78 37.54 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 -3.03 1.52 0.08 -2.53 0.00 -1.97 0.83 119.26 114.15 1bvm h ALA 90 Ca -0.29 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1bvm h ALA 90 Cb 0.95 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1bvm h ALA 90 CO 0.18 -0.47 -0.04 0.00 0.00 0.00 0.00 179.25 178.92 1bvm h GLU 92 N -0.75 1.11 -0.38 0.00 5.08 -1.56 0.06 114.58 118.14 1bvm h GLU 92 Ca -0.01 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.10 1bvm h GLU 92 Cb 0.59 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1bvm h GLU 92 CO 0.02 0.80 -0.31 0.00 -1.00 0.00 0.00 179.01 178.52 1bvm h ALA 93 N 1.38 0.75 -0.22 3.43 0.00 0.65 -1.42 119.26 123.82 1bvm h ALA 93 Ca 0.29 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1bvm h ALA 93 Cb 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1bvm h ALA 93 CO -0.05 0.66 -0.26 0.35 0.00 0.00 0.00 179.25 179.94 1bvm h PHE 94 N 0.70 0.69 -0.54 0.00 3.04 -0.80 -2.24 116.94 117.79 1bvm h PHE 94 Ca 0.08 -0.22 -0.05 0.00 3.98 0.00 0.00 57.97 61.76 1bvm h PHE 94 Cb 0.85 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 39.20 1bvm h PHE 94 CO 0.05 0.93 0.12 0.82 -2.02 0.00 0.00 178.31 178.21 1bvm h ILE 95 N 0.26 1.23 -0.55 1.41 2.04 -0.96 -2.58 117.51 118.36 1bvm h ILE 95 Ca 0.03 -0.82 -0.11 0.00 1.00 0.00 0.00 64.86 64.96 1bvm h ILE 95 Cb 0.83 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1bvm h ILE 95 CO 0.06 0.31 -0.09 0.00 0.00 0.00 0.00 178.15 178.43 1bvm h ASN 97 N 0.91 0.83 -0.13 0.00 2.35 -1.02 0.13 115.58 118.65 1bvm h ASN 97 Ca 0.14 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 1bvm h ASN 97 Cb 0.66 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1bvm h ASN 97 CO 0.05 0.60 0.04 0.00 -1.65 0.00 0.00 177.43 176.46 1bvm h ASP 99 N 0.02 1.05 0.15 0.00 3.32 -1.08 0.17 116.42 120.06 1bvm h ASP 99 Ca 0.04 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1bvm h ASP 99 Cb 0.24 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1bvm h ASP 99 CO -0.00 0.91 -0.07 -0.09 -1.72 0.00 0.00 179.24 178.27 1bvm h ARG 100 N 1.12 -0.20 -0.40 3.56 2.43 -0.48 -2.06 114.38 118.35 1bvm h ARG 100 Ca 0.26 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.56 1bvm h ARG 100 Cb 0.18 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1bvm h ARG 100 CO -0.03 0.23 0.30 -0.91 -1.51 0.00 0.00 179.97 178.05 1bvm h ASN 101 N -0.88 0.00 0.14 -3.80 4.21 0.17 0.24 115.58 115.65 1bvm h ASN 101 Ca -0.02 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.48 1bvm h ASN 101 Cb 0.52 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.72 1bvm h ASN 101 CO 0.03 0.00 -0.07 0.00 -1.29 0.00 0.00 177.43 176.11 1bvm h ALA 102 N 1.78 -0.18 -0.73 -0.83 0.00 -0.61 -2.53 119.26 116.16 1bvm h ALA 102 Ca 0.19 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1bvm h ALA 102 Cb 0.78 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1bvm h ALA 102 CO -0.00 -0.30 0.25 0.00 0.00 0.00 0.00 179.25 179.19 1bvm h ALA 103 N -0.12 1.06 -0.53 0.00 0.00 -0.68 -2.27 119.26 116.72 1bvm h ALA 103 Ca -0.02 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.69 1bvm h ALA 103 Cb 0.54 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1bvm h ALA 103 CO 0.03 0.65 0.35 0.82 0.00 0.00 0.00 179.25 181.10 1bvm h ILE 104 N 1.08 1.11 -0.58 0.00 2.04 -0.61 -2.05 117.51 118.50 1bvm h ILE 104 Ca 0.24 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 1bvm h ILE 104 Cb 0.27 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1bvm h ILE 104 CO -0.01 0.12 0.10 0.00 0.00 0.00 0.00 178.15 178.36 1bvm h PHE 106 N 0.85 0.98 0.00 0.00 0.04 -1.22 0.30 116.94 117.90 1bvm h PHE 106 Ca 0.18 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.98 1bvm h PHE 106 Cb 0.41 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1bvm h PHE 106 CO 0.03 0.38 0.00 0.66 -0.60 0.00 0.00 178.31 178.78 1bvm h SER 107 N 0.87 0.00 -0.44 2.17 4.64 -1.36 -3.07 113.55 116.37 1bvm h SER 107 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1bvm h SER 107 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1bvm h SER 107 CO -0.26 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 175.99 1bvm n LYS 108 N -2.50 2.42 -4.03 4.77 4.76 0.83 -4.94 118.16 119.48 1bvm n LYS 108 Ca 0.05 -2.16 -0.07 0.00 -2.87 0.00 0.00 58.31 53.25 1bvm n LYS 108 Cb 0.45 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 32.05 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 -1.43 0.20 0.95 -0.18 -7.23 0.09 -5.02 120.40 107.78 1bvm s VAL 109 Ca 0.39 -1.65 -0.12 0.00 -1.81 0.00 0.00 61.98 58.79 1bvm s VAL 109 Cb 0.22 -1.48 0.16 0.00 0.56 0.00 0.00 36.38 35.85 1bvm s VAL 109 CO 0.31 -0.91 1.12 -2.16 -0.31 0.00 0.00 175.10 173.14 1bvm s PRO 110 N -3.91 0.82 -0.34 4.82 0.04 -1.26 -4.83 135.00 130.34 1bvm s PRO 110 Ca 0.07 0.39 -0.00 0.00 0.04 0.00 0.00 61.00 61.49 1bvm s PRO 110 Cb 0.07 -1.79 0.14 0.00 0.04 0.00 0.00 34.50 32.95 1bvm s PRO 110 CO -0.10 -2.44 0.22 -0.47 0.04 0.00 0.00 177.00 174.25 1bvm s TYR 111 N -3.14 0.52 -0.54 0.56 5.04 -1.26 -3.85 117.35 114.68 1bvm s TYR 111 Ca 0.64 -1.39 -0.28 0.00 -2.44 0.00 0.00 57.07 53.61 1bvm s TYR 111 Cb -0.16 -0.84 0.01 0.00 0.35 0.00 0.00 41.96 41.32 1bvm s TYR 111 CO 0.55 -0.85 1.40 -0.80 -1.34 0.00 0.00 175.55 174.52 1bvm s ASN 112 N 1.30 6.18 0.59 4.32 0.01 -1.26 -4.85 114.94 121.23 1bvm s ASN 112 Ca 0.16 0.36 0.39 0.00 -0.71 0.00 0.00 52.86 53.06 1bvm s ASN 112 Cb -0.21 -2.55 1.99 0.00 0.41 0.00 0.00 41.25 40.89 1bvm s ASN 112 CO -0.06 -1.65 2.18 0.07 -1.51 0.00 0.00 177.10 176.12 1bvm h LYS 113 N 10.92 0.00 0.00 -0.60 2.10 -1.99 -1.88 116.57 125.12 1bvm h LYS 113 Ca -0.27 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.37 1bvm h LYS 113 Cb 1.09 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.42 1bvm h LYS 113 CO 1.16 0.00 -0.08 1.49 -2.00 0.00 0.00 179.45 180.03 1bvm h GLU 114 N 0.00 0.00 -0.15 0.07 4.81 -2.04 -1.38 114.58 115.89 1bvm h GLU 114 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bvm h GLU 114 Cb 0.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1bvm h GLU 114 CO 0.00 0.08 0.00 0.72 -0.73 0.00 0.00 179.01 179.08 1bvm n HIS 115 N -3.37 0.19 -1.92 0.92 8.25 -0.71 -4.91 115.22 113.67 1bvm n HIS 115 Ca -0.01 -0.09 -0.40 0.00 -0.26 0.00 0.00 57.72 56.96 1bvm n HIS 115 Cb 0.24 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.36 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 -1.81 3.82 -1.12 -0.41 2.20 -0.52 -3.21 119.74 118.69 1bvm s LYS 116 Ca 0.32 2.30 -0.14 0.00 -0.36 0.00 0.00 55.97 58.09 1bvm s LYS 116 Cb 0.17 -2.71 -0.03 0.00 -1.51 0.00 0.00 37.83 33.75 1bvm s LYS 116 CO 0.26 -0.66 0.84 0.09 -0.36 0.00 0.00 175.35 175.51 1bvm n ASN 117 N -0.04 -5.51 -4.71 1.43 3.02 -1.18 -4.94 115.26 103.33 1bvm n ASN 117 Ca 0.04 -0.89 -0.29 0.00 -0.03 0.00 0.00 54.58 53.42 1bvm n ASN 117 Cb 0.43 -4.12 0.17 0.00 -0.61 0.00 0.00 39.78 35.64 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 -6.08 1.69 -0.26 3.41 2.96 -1.20 -5.00 118.68 114.19 1bvm s LEU 118 Ca 0.43 1.09 -0.14 0.00 -0.22 0.00 0.00 54.13 55.30 1bvm s LEU 118 Cb -0.12 -3.31 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 1bvm s LEU 118 CO 0.81 -2.98 0.33 -0.62 -1.32 0.00 0.00 176.35 172.58 1bvm s ASP 119 N -3.65 6.22 0.36 3.68 -1.08 -1.26 -4.93 116.67 116.01 1bvm s ASP 119 Ca 0.65 0.24 0.21 0.00 -0.52 0.00 0.00 52.55 53.13 1bvm s ASP 119 Cb -0.17 -2.19 1.15 0.00 -1.46 0.00 0.00 42.92 40.24 1bvm s ASP 119 CO 0.56 -0.14 1.61 0.11 0.52 0.00 0.00 175.17 177.84 1bvm h LYS 120 N 8.12 0.00 0.00 4.34 1.57 -1.95 -0.90 116.57 127.75 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 -2.28 0.13 0.00 3.15 4.01 -1.26 0.88 118.16 122.79 1bvm n LYS 121 Ca -0.01 0.61 0.11 0.00 -0.51 0.00 0.00 58.31 58.50 1bvm n LYS 121 Cb 0.14 -1.91 0.04 0.00 -0.51 0.00 0.00 35.03 32.79 1bvm n LYS 121 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1bvm n ASN 122 N -2.19 0.76 -0.70 4.39 3.02 -0.34 -5.22 115.26 114.98 1bvm n ASN 122 Ca -0.01 -0.63 0.09 0.00 -0.03 0.00 0.00 54.58 53.99 1bvm n ASN 122 Cb 0.05 0.68 0.07 0.00 -0.61 0.00 0.00 39.78 39.97 1bvm n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64