#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abk n GLU 6 N 0.00 0.00 -1.82 1.57 0.28 -1.26 -5.10 120.64 114.31 3abk n GLU 6 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.71 3abk n GLU 6 Cb 0.00 0.00 0.09 0.00 1.43 0.00 0.00 31.44 32.96 3abk n GLU 6 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 3abk s THR 7 N -1.88 2.21 0.26 3.84 -4.23 -1.26 -4.85 115.64 109.73 3abk s THR 7 Ca 0.00 0.07 -0.03 0.00 -1.18 0.00 0.00 61.69 60.55 3abk s THR 7 Cb 0.00 -3.01 0.24 0.00 1.34 0.00 0.00 72.50 71.06 3abk s THR 7 CO 0.00 -0.09 1.83 0.44 -0.54 0.00 0.00 174.62 176.26 3abk h ASP 8 N -1.09 0.80 -0.37 3.99 3.32 -2.02 -1.97 116.42 119.07 3abk h ASP 8 Ca -0.47 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 56.53 3abk h ASP 8 Cb 1.32 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 3abk h ASP 8 CO 0.65 0.46 -0.11 -0.33 -1.72 0.00 0.00 179.24 178.18 3abk h GLU 9 N 0.90 0.82 -0.13 3.56 3.07 -1.99 -2.37 114.58 118.43 3abk h GLU 9 Ca 0.42 -0.28 -0.14 0.00 -0.50 0.00 0.00 59.36 58.87 3abk h GLU 9 Cb 0.35 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 3abk h GLU 9 CO -0.23 0.90 -0.45 0.93 -1.40 0.00 0.00 179.01 178.75 3abk h GLU 10 N 0.74 0.54 -0.06 2.33 5.08 -1.74 -1.54 114.58 119.92 3abk h GLU 10 Ca 0.12 -0.40 0.04 0.00 -1.00 0.00 0.00 59.36 58.12 3abk h GLU 10 Cb 0.61 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 3abk h GLU 10 CO 0.04 1.03 -0.40 0.35 -1.00 0.00 0.00 179.01 179.03 3abk h PHE 11 N 0.16 -1.13 -0.81 4.33 3.04 -1.43 -1.38 116.94 119.72 3abk h PHE 11 Ca -0.02 0.04 0.11 0.00 3.98 0.00 0.00 57.97 62.08 3abk h PHE 11 Cb 1.08 0.50 -0.08 0.00 2.56 0.00 0.00 35.95 40.02 3abk h PHE 11 CO 0.11 -0.47 0.44 -0.44 -2.02 0.00 0.00 178.31 175.93 3abk h ASP 12 N -0.52 0.60 -0.32 0.41 3.45 -1.33 -2.36 116.42 116.34 3abk h ASP 12 Ca 0.06 0.06 -0.07 0.00 0.43 0.00 0.00 57.03 57.51 3abk h ASP 12 Cb 0.63 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.34 3abk h ASP 12 CO -0.34 0.32 -0.09 0.00 -1.57 0.00 0.00 179.24 177.56 3abk h ALA 13 N 1.48 0.44 -0.85 3.45 0.00 -1.12 0.30 119.26 122.95 3abk h ALA 13 Ca 0.41 -0.30 0.12 0.00 0.00 0.00 0.00 54.91 55.13 3abk h ALA 13 Cb 0.44 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 3abk h ALA 13 CO -0.28 0.29 0.48 0.00 0.00 0.00 0.00 179.25 179.74 3abk h ARG 14 N 0.40 0.74 0.11 0.00 3.08 -0.97 0.23 114.38 117.97 3abk h ARG 14 Ca 0.08 -0.04 -0.27 0.00 0.07 0.00 0.00 59.98 59.81 3abk h ARG 14 Cb 0.59 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3abk h ARG 14 CO 0.03 0.49 -1.24 -1.49 -1.07 0.00 0.00 179.97 176.69 3abk h TRP 15 N 0.76 0.44 0.18 3.04 4.06 -1.10 -0.56 115.95 122.77 3abk h TRP 15 Ca 0.43 -0.32 0.01 0.00 2.06 0.00 0.00 58.89 61.07 3abk h TRP 15 Cb 0.48 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.60 3abk h TRP 15 CO -0.06 1.26 -0.24 0.28 -3.56 0.00 0.00 178.44 176.12 3abk h VAL 16 N 0.07 0.48 -0.39 1.49 2.07 -0.15 -0.09 116.25 119.72 3abk h VAL 16 Ca -0.13 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.44 3abk h VAL 16 Cb 1.96 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 32.16 3abk h VAL 16 CO 0.19 0.00 0.12 0.74 0.02 0.00 0.00 177.57 178.64 3abk h THR 17 N -0.48 0.86 -0.25 2.57 2.02 -0.99 -0.25 112.91 116.39 3abk h THR 17 Ca 0.01 -0.09 0.05 0.00 0.77 0.00 0.00 66.41 67.15 3abk h THR 17 Cb 0.47 0.57 -0.08 0.00 -1.74 0.00 0.00 68.15 67.37 3abk h THR 17 CO -0.09 0.05 -0.47 0.22 0.37 0.00 0.00 175.52 175.60 3abk h TYR 18 N 0.27 -1.36 0.00 3.16 3.20 -0.97 -2.34 116.97 118.92 3abk h TYR 18 Ca 0.18 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 3abk h TYR 18 Cb 0.18 0.63 -0.00 0.00 1.54 0.00 0.00 36.73 39.08 3abk h TYR 18 CO -0.16 -0.48 -0.07 0.74 -1.64 0.00 0.00 178.16 176.55 3abk h PHE 19 N -0.45 0.00 0.00 -3.82 0.05 -0.61 -3.19 116.94 108.93 3abk h PHE 19 Ca 0.09 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.88 3abk h PHE 19 Cb 0.62 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.57 3abk h PHE 19 CO -0.58 0.07 0.00 0.09 -0.18 0.00 0.00 178.31 177.71 3abk n ASN 20 N -3.22 0.82 -4.55 2.17 3.02 -0.14 -4.51 115.26 108.86 3abk n ASN 20 Ca 0.00 0.58 -0.55 0.00 -0.03 0.00 0.00 54.58 54.58 3abk n ASN 20 Cb 0.31 -0.80 -0.08 0.00 -0.61 0.00 0.00 39.78 38.61 3abk n ASN 20 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3abk n LYS 21 N -2.27 0.98 -0.30 3.52 4.81 -1.11 -4.78 118.16 119.01 3abk n LYS 21 Ca 0.06 0.32 0.12 0.00 -0.87 0.00 0.00 58.31 57.94 3abk n LYS 21 Cb 0.43 -2.16 0.29 0.00 0.02 0.00 0.00 35.03 33.61 3abk n LYS 21 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3abk h PRO 22 N 9.45 0.41 -0.55 1.64 0.11 -1.94 -1.30 132.00 139.83 3abk h PRO 22 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3abk h PRO 22 Cb 1.33 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3abk h PRO 22 CO 1.00 0.27 0.00 -0.40 -0.21 0.00 0.00 178.00 178.67 3abk n ASP 23 N -5.02 5.44 -3.81 -2.05 3.85 -1.26 -4.97 116.55 108.72 3abk n ASP 23 Ca 0.21 -2.89 -0.45 0.00 -0.71 0.00 0.00 54.79 50.95 3abk n ASP 23 Cb 0.62 -0.66 -0.04 0.00 -1.35 0.00 0.00 41.12 39.69 3abk n ASP 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3abk n ILE 24 N 0.56 0.97 -2.96 2.12 3.06 -0.49 -4.93 119.36 117.69 3abk n ILE 24 Ca 0.27 -0.24 -0.16 0.00 -2.50 0.00 0.00 62.75 60.12 3abk n ILE 24 Cb 1.13 0.00 0.06 0.00 0.54 0.00 0.00 39.64 41.37 3abk n ILE 24 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 3abk n ASP 25 N 1.53 1.57 0.23 9.51 5.68 -1.26 -4.93 116.55 128.88 3abk n ASP 25 Ca 0.16 -2.16 -0.14 0.00 -0.50 0.00 0.00 54.79 52.15 3abk n ASP 25 Cb 0.15 -0.36 -0.08 0.00 -1.14 0.00 0.00 41.12 39.70 3abk n ASP 25 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3abk h ALA 26 N 0.09 -0.58 -0.94 2.12 0.00 -1.98 -2.05 119.26 115.92 3abk h ALA 26 Ca -0.22 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.65 3abk h ALA 26 Cb 0.97 0.22 -0.15 0.00 0.00 0.00 0.00 17.79 18.84 3abk h ALA 26 CO 0.30 -0.70 -0.41 2.35 0.00 0.00 0.00 179.25 180.79 3abk h TRP 27 N -0.83 -1.19 -0.21 0.00 7.01 -2.00 0.22 115.95 118.96 3abk h TRP 27 Ca -0.06 0.10 0.05 0.00 2.11 0.00 0.00 58.89 61.09 3abk h TRP 27 Cb 0.55 0.65 -0.01 0.00 -2.10 0.00 0.00 29.16 28.26 3abk h TRP 27 CO 0.00 -0.40 0.15 0.93 -2.79 0.00 0.00 178.44 176.33 3abk h GLU 28 N -0.03 0.06 -0.01 2.65 5.08 -1.91 0.42 114.58 120.84 3abk h GLU 28 Ca 0.31 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.65 3abk h GLU 28 Cb 0.57 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3abk h GLU 28 CO -0.94 0.04 -0.05 1.25 -1.00 0.00 0.00 179.01 178.31 3abk h LEU 29 N 0.06 0.06 0.37 1.33 5.85 -0.29 -1.53 115.31 121.17 3abk h LEU 29 Ca 0.10 -0.66 -0.02 0.00 0.84 0.00 0.00 57.88 58.14 3abk h LEU 29 Cb 0.31 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3abk h LEU 29 CO -0.01 0.71 -0.19 0.03 -0.34 0.00 0.00 178.44 178.64 3abk h ARG 30 N -0.58 -0.50 -0.71 1.25 3.08 -0.65 -2.38 114.38 113.89 3abk h ARG 30 Ca -0.00 0.03 0.16 0.00 0.07 0.00 0.00 59.98 60.24 3abk h ARG 30 Cb 0.71 0.11 -0.12 0.00 0.08 0.00 0.00 29.97 30.75 3abk h ARG 30 CO 0.01 -0.33 -0.01 -0.22 -1.07 0.00 0.00 179.97 178.35 3abk h LYS 31 N -0.52 0.10 -0.52 0.04 1.63 -0.25 0.21 116.57 117.25 3abk h LYS 31 Ca -0.05 -0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.67 3abk h LYS 31 Cb 0.41 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.00 3abk h LYS 31 CO 0.07 0.06 0.04 0.78 -3.45 0.00 0.00 179.45 176.95 3abk h GLY 32 N 0.10 0.96 1.14 5.01 0.00 -1.18 -1.93 103.07 107.17 3abk h GLY 32 Ca 0.38 -0.68 -0.21 0.00 0.00 0.00 0.00 47.33 46.82 3abk h GLY 32 CO -0.63 0.63 -0.71 -0.33 0.00 0.00 0.00 176.54 175.50 3abk h MET 33 N 0.77 0.79 -0.06 4.80 2.86 -0.70 -0.83 114.93 122.55 3abk h MET 33 Ca 0.15 -0.61 -0.12 0.00 -2.06 0.00 0.00 59.70 57.06 3abk h MET 33 Cb 0.47 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 3abk h MET 33 CO 0.02 1.23 -0.50 -0.91 1.06 0.00 0.00 176.91 177.81 3abk h ASN 34 N 0.53 0.16 -0.00 1.22 2.35 -0.65 -2.24 115.58 116.94 3abk h ASN 34 Ca -0.04 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 3abk h ASN 34 Cb 1.34 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.66 3abk h ASN 34 CO 0.15 0.63 -0.01 0.74 -1.65 0.00 0.00 177.43 177.29 3abk h THR 35 N 0.12 1.49 -0.99 2.81 2.02 -1.34 -3.33 112.91 113.68 3abk h THR 35 Ca 0.00 -1.46 0.13 0.00 0.77 0.00 0.00 66.41 65.86 3abk h THR 35 Cb 0.92 2.48 -0.09 0.00 -1.74 0.00 0.00 68.15 69.72 3abk h THR 35 CO 0.07 0.38 0.62 0.25 0.37 0.00 0.00 175.52 177.21 3abk h LEU 36 N -0.61 0.89 -0.04 2.58 5.85 -0.97 -1.12 115.31 121.88 3abk h LEU 36 Ca -0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3abk h LEU 36 Cb 0.62 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3abk h LEU 36 CO 0.00 0.45 0.00 1.33 -0.34 0.00 0.00 178.44 179.88 3abk n VAL 37 N -4.66 0.00 0.10 1.05 0.24 -0.86 -2.28 118.33 111.93 3abk n VAL 37 Ca 0.19 -0.01 -0.04 0.00 -2.04 0.00 0.00 64.34 62.44 3abk n VAL 37 Cb 0.39 -0.34 0.03 0.00 -1.47 0.00 0.00 33.84 32.45 3abk n VAL 37 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3abk h GLY 38 N 5.24 0.00 -1.26 7.63 0.00 -1.31 -3.47 103.07 109.91 3abk h GLY 38 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 3abk h GLY 38 CO 0.00 0.00 0.31 -0.19 0.00 0.00 0.00 176.54 176.66 3abk s TYR 39 N -3.18 2.55 -1.24 5.60 2.02 -0.97 -4.92 117.35 117.21 3abk s TYR 39 Ca -0.00 1.47 -0.11 0.00 -0.37 0.00 0.00 57.07 58.06 3abk s TYR 39 Cb 0.11 -3.07 0.18 0.00 -0.40 0.00 0.00 41.96 38.78 3abk s TYR 39 CO 0.79 -1.90 1.67 -3.47 -1.57 0.00 0.00 175.55 171.06 3abk n ASP 40 N -3.58 5.20 -3.55 2.29 4.64 -1.26 -4.83 116.55 115.45 3abk n ASP 40 Ca 0.08 -3.07 -0.09 0.00 -1.38 0.00 0.00 54.79 50.33 3abk n ASP 40 Cb 0.54 -1.51 -0.02 0.00 -1.04 0.00 0.00 41.12 39.09 3abk n ASP 40 CO 0.00 0.00 0.00 -1.48 -0.82 0.00 0.00 177.20 174.90 3abk s LEU 41 N 0.44 -0.43 -0.26 -2.67 0.05 -1.26 -5.13 118.68 109.42 3abk s LEU 41 Ca 0.40 -0.15 -0.13 0.00 0.05 0.00 0.00 54.13 54.31 3abk s LEU 41 Cb 0.04 2.45 -0.04 0.00 -2.05 0.00 0.00 46.19 46.59 3abk s LEU 41 CO 0.01 -0.95 0.27 -0.69 -0.55 0.00 0.00 176.35 174.43 3abk s VAL 42 N -3.60 5.26 0.42 1.48 1.01 -1.26 -4.96 120.40 118.76 3abk s VAL 42 Ca 0.05 0.36 -0.26 0.00 0.00 0.00 0.00 61.98 62.13 3abk s VAL 42 Cb -0.02 -3.60 -0.10 0.00 0.00 0.00 0.00 36.38 32.66 3abk s VAL 42 CO -0.07 0.23 1.36 -2.65 0.00 0.00 0.00 175.10 173.97 3abk n PRO 43 N 4.98 2.15 -1.55 2.72 -0.02 -1.26 -4.93 135.00 137.08 3abk n PRO 43 Ca -0.12 0.76 -0.37 0.00 -2.02 0.00 0.00 63.50 61.76 3abk n PRO 43 Cb 0.51 -2.50 0.07 0.00 -0.02 0.00 0.00 33.50 31.56 3abk n PRO 43 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3abk n GLU 44 N 0.04 0.79 -0.31 -0.52 -0.58 -1.26 -4.79 120.64 114.02 3abk n GLU 44 Ca 0.05 0.32 0.14 0.00 -0.42 0.00 0.00 57.16 57.25 3abk n GLU 44 Cb 0.40 -2.25 0.32 0.00 -0.57 0.00 0.00 31.44 29.34 3abk n GLU 44 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3abk h PRO 45 N 0.22 0.36 -0.16 3.49 0.11 -1.92 -1.46 132.00 132.64 3abk h PRO 45 Ca -0.49 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.65 3abk h PRO 45 Cb 1.35 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3abk h PRO 45 CO 0.50 0.24 0.13 1.57 -0.21 0.00 0.00 178.00 180.23 3abk h LYS 46 N 0.37 0.00 0.05 1.05 2.10 -1.96 0.54 116.57 118.72 3abk h LYS 46 Ca 0.57 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 59.12 3abk h LYS 46 Cb 1.12 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.46 3abk h LYS 46 CO -0.55 0.00 -0.42 0.82 -2.00 0.00 0.00 179.45 177.29 3abk h ILE 47 N 0.00 1.60 -0.39 0.07 2.04 -1.61 -2.84 117.51 116.38 3abk h ILE 47 Ca 0.08 -2.30 0.04 0.00 1.00 0.00 0.00 64.86 63.68 3abk h ILE 47 Cb 0.34 3.10 -0.04 0.00 -0.74 0.00 0.00 36.82 39.47 3abk h ILE 47 CO -0.00 0.63 0.14 0.40 0.00 0.00 0.00 178.15 179.33 3abk h ILE 48 N -0.56 0.90 -0.57 -0.67 1.08 -0.84 0.15 117.51 117.00 3abk h ILE 48 Ca -0.07 -0.11 0.11 0.00 -0.39 0.00 0.00 64.86 64.41 3abk h ILE 48 Cb 1.27 0.56 -0.11 0.00 -3.07 0.00 0.00 36.82 35.47 3abk h ILE 48 CO 0.08 0.06 -0.24 -0.78 -0.69 0.00 0.00 178.15 176.58 3abk h ASP 49 N 0.31 -0.83 -0.19 1.72 -0.00 -0.03 0.33 116.42 117.72 3abk h ASP 49 Ca 0.18 0.20 -0.14 0.00 -0.00 0.00 0.00 57.03 57.26 3abk h ASP 49 Cb 0.14 0.46 -0.01 0.00 -0.00 0.00 0.00 39.33 39.93 3abk h ASP 49 CO -0.17 -0.26 -0.39 0.00 -0.00 0.00 0.00 179.24 178.42 3abk h ALA 50 N 1.29 0.74 -0.13 -0.78 0.00 -1.09 -0.42 119.26 118.86 3abk h ALA 50 Ca 0.26 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3abk h ALA 50 Cb 0.50 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3abk h ALA 50 CO -0.63 0.66 0.07 0.00 0.00 0.00 0.00 179.25 179.34 3abk h ALA 51 N 0.96 0.15 -0.35 0.00 0.00 -0.20 -1.91 119.26 117.91 3abk h ALA 51 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3abk h ALA 51 Cb 0.93 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3abk h ALA 51 CO 0.09 -0.38 0.14 -0.07 0.00 0.00 0.00 179.25 179.03 3abk h LEU 52 N 0.14 0.18 -2.00 0.00 3.38 0.12 -1.60 115.31 115.53 3abk h LEU 52 Ca 0.05 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3abk h LEU 52 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3abk h LEU 52 CO -0.03 0.14 -0.10 0.03 0.09 0.00 0.00 178.44 178.57 3abk h ARG 53 N 0.31 0.00 -0.09 1.13 3.08 -1.00 -1.40 114.38 116.40 3abk h ARG 53 Ca 0.15 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.05 3abk h ARG 53 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3abk h ARG 53 CO -0.14 0.10 -0.60 0.00 -1.07 0.00 0.00 179.97 178.26 3abk h ALA 54 N 1.90 0.79 -0.18 0.04 0.00 -0.91 -0.45 119.26 120.45 3abk h ALA 54 Ca -0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 3abk h ALA 54 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3abk h ALA 54 CO 0.01 0.72 -0.29 0.00 0.00 0.00 0.00 179.25 179.69 3abk h ARG 56 N 0.31 -0.66 -0.37 0.00 9.65 -1.26 0.51 114.38 122.55 3abk h ARG 56 Ca 0.04 0.05 0.11 0.00 -1.10 0.00 0.00 59.98 59.08 3abk h ARG 56 Cb 0.68 0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.39 3abk h ARG 56 CO 0.05 -0.37 0.40 0.00 2.80 0.00 0.00 179.97 182.85 3abk h ARG 57 N -1.07 0.00 -0.65 0.20 3.08 -0.97 1.68 114.38 116.66 3abk h ARG 57 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3abk h ARG 57 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3abk h ARG 57 CO 0.12 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.30 3abk n LEU 58 N -3.75 4.56 -4.07 3.04 4.77 -0.28 -4.96 117.00 116.31 3abk n LEU 58 Ca 0.06 -2.36 -0.29 0.00 -0.03 0.00 0.00 56.01 53.39 3abk n LEU 58 Cb 0.56 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 3abk n LEU 58 CO 0.28 0.84 -0.21 0.59 -1.33 0.00 0.00 177.39 177.56 3abk n ASN 59 N 1.18 -0.89 -3.85 -1.43 3.02 0.57 -4.94 115.26 108.92 3abk n ASN 59 Ca 0.25 -1.04 -0.29 0.00 -0.03 0.00 0.00 54.58 53.47 3abk n ASN 59 Cb 0.83 -2.80 -0.13 0.00 -0.61 0.00 0.00 39.78 37.07 3abk n ASN 59 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3abk s ASP 60 N -4.11 4.12 0.11 6.41 3.68 0.16 -4.97 116.67 122.09 3abk s ASP 60 Ca 0.19 -3.10 -0.11 0.00 2.13 0.00 0.00 52.55 51.65 3abk s ASP 60 Cb -0.10 -1.43 -0.13 0.00 -1.45 0.00 0.00 42.92 39.81 3abk s ASP 60 CO 0.91 -0.21 1.33 0.15 0.13 0.00 0.00 175.17 177.48 3abk h PHE 61 N 6.28 1.03 -0.71 -5.34 3.57 -1.92 -3.12 116.94 116.73 3abk h PHE 61 Ca 0.00 -0.45 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 3abk h PHE 61 Cb 0.87 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 3abk h PHE 61 CO 0.53 1.28 0.43 0.00 -2.23 0.00 0.00 178.31 178.32 3abk h ALA 62 N 0.60 0.90 -0.11 2.41 0.00 -1.97 -2.22 119.26 118.88 3abk h ALA 62 Ca -0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3abk h ALA 62 Cb 1.38 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3abk h ALA 62 CO 0.16 0.37 -0.19 0.77 0.00 0.00 0.00 179.25 180.36 3abk h SER 63 N 0.97 0.16 -0.67 0.00 0.02 -1.97 0.20 113.55 112.25 3abk h SER 63 Ca 0.25 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 61.09 3abk h SER 63 Cb -0.04 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 3abk h SER 63 CO -0.05 0.37 0.14 0.00 -1.14 0.00 0.00 176.83 176.16 3abk h ALA 64 N 1.65 0.96 -0.15 3.77 0.00 -1.36 0.88 119.26 125.01 3abk h ALA 64 Ca 0.03 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 3abk h ALA 64 Cb 0.44 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.97 3abk h ALA 64 CO 0.03 0.66 -0.60 0.28 0.00 0.00 0.00 179.25 179.62 3abk h VAL 65 N 1.04 1.32 -0.62 0.00 2.07 -0.54 -3.02 116.25 116.50 3abk h VAL 65 Ca 0.21 -1.85 0.10 0.00 0.82 0.00 0.00 66.70 65.98 3abk h VAL 65 Cb 0.39 2.04 -0.07 0.00 -1.52 0.00 0.00 31.29 32.13 3abk h VAL 65 CO 0.01 0.57 0.24 -0.09 0.02 0.00 0.00 177.57 178.32 3abk h ARG 66 N 0.34 0.41 -0.37 1.57 9.65 -0.17 -2.32 114.38 123.50 3abk h ARG 66 Ca -0.03 -0.02 0.08 0.00 -1.10 0.00 0.00 59.98 58.90 3abk h ARG 66 Cb 1.23 -0.09 -0.08 0.00 -1.39 0.00 0.00 29.97 29.64 3abk h ARG 66 CO 0.13 0.27 -0.23 0.82 2.80 0.00 0.00 179.97 183.76 3abk h ILE 67 N 0.42 0.38 -0.84 1.20 2.04 -0.82 0.15 117.51 120.04 3abk h ILE 67 Ca 0.32 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.26 3abk h ILE 67 Cb 0.40 0.38 -0.07 0.00 -0.74 0.00 0.00 36.82 36.78 3abk h ILE 67 CO -0.31 0.00 0.49 -0.07 0.00 0.00 0.00 178.15 178.26 3abk h LEU 68 N -0.18 0.73 -0.58 1.44 3.38 -1.30 -0.84 115.31 117.96 3abk h LEU 68 Ca 0.18 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3abk h LEU 68 Cb 0.46 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3abk h LEU 68 CO -0.47 0.43 0.26 -0.33 0.09 0.00 0.00 178.44 178.43 3abk h GLU 69 N 0.85 0.85 -0.17 1.13 5.08 -0.85 -2.61 114.58 118.85 3abk h GLU 69 Ca 0.39 -0.13 -0.17 0.00 -1.00 0.00 0.00 59.36 58.45 3abk h GLU 69 Cb 0.30 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3abk h GLU 69 CO -0.22 0.70 -0.59 -0.24 -1.00 0.00 0.00 179.01 177.66 3abk h VAL 70 N 0.79 1.32 -0.57 3.13 3.04 -0.17 -0.49 116.25 123.30 3abk h VAL 70 Ca 0.20 -1.85 0.10 0.00 -1.01 0.00 0.00 66.70 64.14 3abk h VAL 70 Cb 0.15 1.82 -0.08 0.00 -2.01 0.00 0.00 31.29 31.17 3abk h VAL 70 CO -0.02 0.57 0.16 0.58 -1.01 0.00 0.00 177.57 177.85 3abk h VAL 71 N 0.43 0.71 -0.69 1.51 2.07 -1.03 0.62 116.25 119.86 3abk h VAL 71 Ca 0.00 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 3abk h VAL 71 Cb 1.14 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3abk h VAL 71 CO 0.11 0.06 0.28 0.50 0.02 0.00 0.00 177.57 178.53 3abk h LYS 72 N 0.30 1.01 -0.18 1.57 3.64 -1.05 -2.97 116.57 118.89 3abk h LYS 72 Ca 0.29 -0.17 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 3abk h LYS 72 Cb 0.40 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3abk h LYS 72 CO -0.35 0.82 -0.34 0.22 -2.27 0.00 0.00 179.45 177.53 3abk h ASP 73 N 0.99 0.61 -0.03 4.20 3.58 0.57 -2.68 116.42 123.66 3abk h ASP 73 Ca 0.23 -0.55 0.01 0.00 0.42 0.00 0.00 57.03 57.15 3abk h ASP 73 Cb 0.19 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.06 3abk h ASP 73 CO -0.02 1.04 0.14 0.11 -2.88 0.00 0.00 179.24 177.63 3abk h LYS 74 N 0.20 0.00 -0.00 0.28 1.79 0.32 -0.63 116.57 118.54 3abk h LYS 74 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 3abk h LYS 74 Cb 0.94 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 3abk h LYS 74 CO 0.08 0.00 -0.13 0.00 -1.08 0.00 0.00 179.45 178.32 3abk n ALA 75 N -2.08 2.65 -0.54 3.86 0.00 -1.01 -4.77 120.51 118.62 3abk n ALA 75 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3abk n ALA 75 Cb 0.21 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3abk n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3abk n GLY 76 N 1.48 3.22 0.51 0.00 0.00 -0.25 -0.84 105.19 109.31 3abk n GLY 76 Ca 0.07 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.25 3abk n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3abk n PRO 77 N 14.00 1.66 -2.67 1.61 -0.04 -1.26 -4.62 135.00 143.67 3abk n PRO 77 Ca 0.00 -1.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.03 3abk n PRO 77 Cb 0.00 -1.36 -0.01 0.00 -0.04 0.00 0.00 33.50 32.08 3abk n PRO 77 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3abk s HIS 78 N -1.78 2.86 0.48 0.54 3.76 -0.02 -4.84 115.29 116.30 3abk s HIS 78 Ca 0.30 -1.45 0.21 0.00 -0.15 0.00 0.00 55.06 53.97 3abk s HIS 78 Cb 0.16 -4.61 1.23 0.00 1.11 0.00 0.00 32.58 30.46 3abk s HIS 78 CO 0.24 -1.75 1.96 0.87 -0.85 0.00 0.00 174.74 175.22 3abk h LYS 79 N 8.32 0.20 -0.00 1.40 1.79 -1.85 -2.69 116.57 123.74 3abk h LYS 79 Ca 0.32 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 3abk h LYS 79 Cb 0.93 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 3abk h LYS 79 CO 1.38 0.13 -0.22 -0.85 -1.08 0.00 0.00 179.45 178.80 3abk n GLU 80 N -4.42 0.44 0.04 3.15 0.00 -1.26 -4.06 120.64 114.52 3abk n GLU 80 Ca 0.12 -0.19 -0.13 0.00 0.00 0.00 0.00 57.16 56.96 3abk n GLU 80 Cb 0.57 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.43 3abk n GLU 80 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 3abk h ILE 81 N 0.47 1.11 -0.32 3.84 2.04 -1.88 -2.98 117.51 119.79 3abk h ILE 81 Ca 0.00 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 3abk h ILE 81 Cb 0.45 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3abk h ILE 81 CO 0.00 0.11 0.11 0.22 0.00 0.00 0.00 178.15 178.59 3abk h TYR 82 N -0.23 0.51 -0.99 1.37 -0.00 -1.78 0.97 116.97 116.81 3abk h TYR 82 Ca -0.00 -0.05 0.10 0.00 -0.00 0.00 0.00 58.73 58.78 3abk h TYR 82 Cb 0.21 -0.15 -0.08 0.00 -0.00 0.00 0.00 36.73 36.72 3abk h TYR 82 CO -0.01 0.50 0.63 -1.35 -0.00 0.00 0.00 178.16 177.93 3abk h PRO 83 N 0.36 1.01 -0.24 1.82 0.11 -1.76 -0.15 132.00 133.14 3abk h PRO 83 Ca 0.10 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 3abk h PRO 83 Cb 0.23 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 3abk h PRO 83 CO -0.00 0.67 -0.14 -0.92 -0.21 0.00 0.00 178.00 177.39 3abk h TYR 84 N 1.04 0.61 -0.54 0.65 3.20 -1.25 0.21 116.97 120.88 3abk h TYR 84 Ca 0.47 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 3abk h TYR 84 Cb 0.39 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 3abk h TYR 84 CO -0.01 0.80 0.32 0.28 -1.64 0.00 0.00 178.16 177.91 3abk h VAL 85 N 0.24 1.17 -0.10 1.81 2.07 -0.01 -1.04 116.25 120.40 3abk h VAL 85 Ca 0.05 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3abk h VAL 85 Cb 0.65 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3abk h VAL 85 CO 0.04 0.18 0.05 0.40 0.02 0.00 0.00 177.57 178.26 3abk h ILE 86 N 0.73 1.10 -0.56 4.57 1.08 -0.95 0.41 117.51 123.89 3abk h ILE 86 Ca 0.19 -0.28 0.09 0.00 -0.39 0.00 0.00 64.86 64.47 3abk h ILE 86 Cb 0.00 1.11 -0.11 0.00 -3.07 0.00 0.00 36.82 34.76 3abk h ILE 86 CO -0.03 0.09 -0.43 -0.61 -0.69 0.00 0.00 178.15 176.47 3abk h GLN 87 N 0.05 -0.22 0.00 2.37 4.15 -0.36 0.70 115.11 121.80 3abk h GLN 87 Ca 0.03 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 3abk h GLN 87 Cb 0.09 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.83 3abk h GLN 87 CO -0.00 -0.15 -0.05 0.93 -1.93 0.00 0.00 178.83 177.63 3abk h GLU 88 N -0.23 0.00 0.00 1.69 4.39 -0.51 -2.77 114.58 117.15 3abk h GLU 88 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 3abk h GLU 88 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 3abk h GLU 88 CO -0.68 0.05 -1.28 1.28 -1.16 0.00 0.00 179.01 177.22 3abk n LEU 89 N -3.25 0.59 -0.23 1.33 4.77 0.07 -4.65 117.00 115.64 3abk n LEU 89 Ca -0.01 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3abk n LEU 89 Cb 0.24 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.32 3abk n LEU 89 CO 0.27 -0.12 0.37 -1.14 -1.33 0.00 0.00 177.39 175.44 3abk n ARG 90 N -2.51 -0.12 -0.26 3.23 3.00 0.08 0.04 116.66 120.12 3abk n ARG 90 Ca -0.01 0.95 0.00 0.00 -0.00 0.00 0.00 57.85 58.79 3abk n ARG 90 Cb 0.55 -1.41 0.13 0.00 0.00 0.00 0.00 32.46 31.73 3abk n ARG 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 3abk h PRO 91 N 0.00 0.72 -0.31 -0.14 0.11 -1.83 0.27 132.00 130.82 3abk h PRO 91 Ca 0.23 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.18 3abk h PRO 91 Cb 0.38 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 3abk h PRO 91 CO -0.61 0.47 -0.28 1.15 -0.21 0.00 0.00 178.00 178.53 3abk h THR 92 N 0.74 1.30 0.54 -1.15 2.02 -0.71 1.08 112.91 116.73 3abk h THR 92 Ca 0.34 -1.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.07 3abk h THR 92 Cb 0.26 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 3abk h THR 92 CO -0.21 0.46 -0.49 -0.07 0.37 0.00 0.00 175.52 175.59 3abk h LEU 93 N 0.49 -1.31 -0.27 2.58 3.38 -0.61 0.49 115.31 120.06 3abk h LEU 93 Ca 0.05 0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.19 3abk h LEU 93 Cb 0.84 0.42 -0.07 0.00 0.09 0.00 0.00 40.66 41.94 3abk h LEU 93 CO 0.07 -0.67 -0.22 0.78 0.09 0.00 0.00 178.44 178.49 3abk h ASN 94 N -1.02 -0.73 -0.61 -0.43 -0.26 -0.53 0.21 115.58 112.21 3abk h ASN 94 Ca -0.07 0.14 0.11 0.00 -0.56 0.00 0.00 56.30 55.92 3abk h ASN 94 Cb 0.87 0.35 -0.08 0.00 -1.06 0.00 0.00 38.32 38.40 3abk h ASN 94 CO -0.03 -0.26 0.15 -0.08 -1.06 0.00 0.00 177.43 176.15 3abk h GLU 95 N -0.22 0.28 -0.03 0.81 4.81 0.16 -2.42 114.58 117.98 3abk h GLU 95 Ca 0.15 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3abk h GLU 95 Cb 0.44 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.76 3abk h GLU 95 CO -0.39 0.19 -0.03 1.28 -0.73 0.00 0.00 179.01 179.32 3abk n LEU 96 N -5.10 2.87 -2.27 1.64 4.77 0.13 -4.97 117.00 114.07 3abk n LEU 96 Ca 0.09 -0.96 -0.15 0.00 -0.03 0.00 0.00 56.01 54.96 3abk n LEU 96 Cb 0.32 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.45 3abk n LEU 96 CO 0.18 0.48 0.06 0.61 -1.33 0.00 0.00 177.39 177.39 3abk n GLY 97 N 1.35 -0.10 3.66 -0.72 0.00 0.62 -5.00 105.19 105.00 3abk n GLY 97 Ca 0.14 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 3abk n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3abk s ILE 98 N -3.06 4.90 -0.07 -0.61 1.01 -0.57 -5.02 121.20 117.78 3abk s ILE 98 Ca 0.27 1.49 -0.15 0.00 0.00 0.00 0.00 60.65 62.26 3abk s ILE 98 Cb -0.12 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.22 3abk s ILE 98 CO 0.34 0.02 0.40 -0.44 0.00 0.00 0.00 174.94 175.25 3abk s SER 99 N 1.24 6.68 0.62 3.58 0.01 -1.26 -4.63 113.70 119.93 3abk s SER 99 Ca 0.35 0.81 -0.16 0.00 1.31 0.00 0.00 55.95 58.25 3abk s SER 99 Cb -0.16 -2.24 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 3abk s SER 99 CO 0.10 0.18 1.10 0.42 0.41 0.00 0.00 173.24 175.45 3abk s THR 100 N -0.23 3.40 0.57 1.44 -4.23 -1.26 -4.81 115.64 110.52 3abk s THR 100 Ca 0.23 0.69 0.27 0.00 -1.18 0.00 0.00 61.69 61.69 3abk s THR 100 Cb -0.15 -3.21 0.36 0.00 1.34 0.00 0.00 72.50 70.84 3abk s THR 100 CO 0.10 -0.36 2.06 -0.65 -0.54 0.00 0.00 174.62 175.22 3abk h PRO 101 N 0.36 0.00 0.13 3.99 0.11 -1.96 -1.10 132.00 133.52 3abk h PRO 101 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3abk h PRO 101 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3abk h PRO 101 CO 0.56 0.00 -0.06 0.93 -0.21 0.00 0.00 178.00 179.21 3abk h GLU 102 N 0.00 -0.17 -0.80 1.05 3.07 -1.92 0.69 114.58 116.50 3abk h GLU 102 Ca 0.13 0.01 0.23 0.00 -0.50 0.00 0.00 59.36 59.23 3abk h GLU 102 Cb 0.64 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.56 3abk h GLU 102 CO -0.00 0.17 0.57 0.93 -1.40 0.00 0.00 179.01 179.28 3abk h GLU 103 N -0.54 0.03 -0.27 2.33 5.08 -1.61 0.35 114.58 119.95 3abk h GLU 103 Ca -0.02 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3abk h GLU 103 Cb 0.42 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3abk h GLU 103 CO 0.03 0.02 0.00 1.28 -1.00 0.00 0.00 179.01 179.34 3abk n LEU 104 N -4.32 2.28 -0.34 1.33 4.77 -0.55 -4.94 117.00 115.23 3abk n LEU 104 Ca 0.16 -0.99 -0.04 0.00 -0.03 0.00 0.00 56.01 55.11 3abk n LEU 104 Cb 0.85 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.74 3abk n LEU 104 CO 0.38 0.49 -0.04 0.61 -1.33 0.00 0.00 177.39 177.50 3abk n GLY 105 N 1.25 0.62 0.04 -0.72 0.00 0.12 -4.90 105.19 101.60 3abk n GLY 105 Ca 0.17 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.15 3abk n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3abk n LEU 106 N -0.50 0.25 -0.16 0.99 4.77 0.23 -2.95 117.00 119.62 3abk n LEU 106 Ca -0.04 0.21 0.10 0.00 -0.03 0.00 0.00 56.01 56.24 3abk n LEU 106 Cb 0.32 -0.31 0.52 0.00 -2.33 0.00 0.00 43.42 41.63 3abk n LEU 106 CO 0.07 0.05 0.85 -0.90 -1.33 0.00 0.00 177.39 176.12 3abk n ASP 107 N -1.27 0.49 -4.59 -1.43 3.85 -1.22 -4.84 116.55 107.54 3abk n ASP 107 Ca 0.11 -1.48 -0.39 0.00 -0.71 0.00 0.00 54.79 52.32 3abk n ASP 107 Cb 0.30 -0.03 -0.10 0.00 -1.35 0.00 0.00 41.12 39.94 3abk n ASP 107 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 3abk s LYS 108 N -1.94 3.91 0.00 0.11 -2.85 -1.15 -5.10 119.74 112.72 3abk s LYS 108 Ca 0.30 -0.19 0.00 0.00 -1.00 0.00 0.00 55.97 55.08 3abk s LYS 108 Cb 0.15 -3.68 0.00 0.00 -2.06 0.00 0.00 37.83 32.24 3abk s LYS 108 CO 0.24 -0.27 0.05 0.28 0.10 0.00 0.00 175.35 175.75