#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abk n ALA 3 N 0.00 1.41 -1.77 2.41 0.00 -1.26 -4.94 120.51 116.35 3abk n ALA 3 Ca 0.00 0.27 -0.41 0.00 0.00 0.00 0.00 53.44 53.30 3abk n ALA 3 Cb 0.00 -2.58 -0.00 0.00 0.00 0.00 0.00 19.45 16.87 3abk n ALA 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3abk n LEU 4 N 6.58 4.77 -4.84 0.00 4.77 -1.26 -5.00 117.00 122.02 3abk n LEU 4 Ca 0.20 1.21 -0.32 0.00 -0.03 0.00 0.00 56.01 57.08 3abk n LEU 4 Cb 0.35 -1.62 -0.01 0.00 -2.33 0.00 0.00 43.42 39.80 3abk n LEU 4 CO 0.69 0.19 0.70 0.00 -1.33 0.00 0.00 177.39 177.64 3abk s ALA 5 N -0.91 3.01 -0.12 -1.18 0.00 -1.26 -5.00 121.76 116.31 3abk s ALA 5 Ca 0.55 0.13 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 3abk s ALA 5 Cb -0.47 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 3abk s ALA 5 CO 0.61 -0.49 1.76 0.21 0.00 0.00 0.00 175.76 177.86 3abk s LYS 6 N -4.41 3.90 0.69 0.00 2.20 -1.26 -5.01 119.74 115.85 3abk s LYS 6 Ca 0.58 2.05 -0.11 0.00 -0.36 0.00 0.00 55.97 58.14 3abk s LYS 6 Cb -0.11 -4.08 0.00 0.00 -1.51 0.00 0.00 37.83 32.13 3abk s LYS 6 CO 0.39 -1.18 1.07 -1.25 -0.36 0.00 0.00 175.35 174.01 3abk s PRO 7 N 4.63 3.02 0.03 4.03 0.04 -1.26 -5.00 135.00 140.49 3abk s PRO 7 Ca 0.79 0.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 3abk s PRO 7 Cb -0.32 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.12 3abk s PRO 7 CO 0.32 -0.97 1.93 -1.14 0.04 0.00 0.00 177.00 177.18 3abk s GLN 8 N -5.20 4.15 0.00 4.56 2.00 -1.26 -4.87 119.66 119.03 3abk s GLN 8 Ca 0.57 2.57 0.02 0.00 -2.00 0.00 0.00 55.36 56.53 3abk s GLN 8 Cb -0.12 -4.13 -0.02 0.00 0.80 0.00 0.00 33.01 29.54 3abk s GLN 8 CO 0.54 -0.94 0.18 -1.33 -0.50 0.00 0.00 175.29 173.24 3abk n MET 9 N 7.45 5.01 -4.33 1.67 2.81 -1.26 -4.97 117.12 123.50 3abk n MET 9 Ca 0.20 -0.12 -0.33 0.00 -1.81 0.00 0.00 57.70 55.64 3abk n MET 9 Cb 0.41 -0.69 -0.09 0.00 -0.71 0.00 0.00 33.22 32.14 3abk n MET 9 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3abk s ARG 10 N -1.04 2.84 -1.38 0.03 0.52 -1.26 -4.69 118.95 113.97 3abk s ARG 10 Ca 0.01 -0.55 -0.00 0.00 -0.52 0.00 0.00 55.73 54.67 3abk s ARG 10 Cb 0.02 -2.70 0.00 0.00 0.52 0.00 0.00 34.95 32.79 3abk s ARG 10 CO 0.08 0.65 0.01 0.41 0.02 0.00 0.00 175.30 176.47 3abk n GLY 11 N 1.63 -0.30 0.35 -3.53 0.00 -1.26 -4.91 105.19 97.18 3abk n GLY 11 Ca -0.16 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 45.64 3abk n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3abk h LEU 12 N -0.02 1.00 -0.10 0.99 3.38 -1.93 0.61 115.31 119.24 3abk h LEU 12 Ca -0.39 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.44 3abk h LEU 12 Cb 1.28 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3abk h LEU 12 CO 0.45 0.79 -0.20 0.25 0.09 0.00 0.00 178.44 179.83 3abk h LEU 13 N 1.14 0.35 -0.71 1.67 5.85 -1.98 -1.78 115.31 119.84 3abk h LEU 13 Ca 0.29 -0.56 0.07 0.00 0.84 0.00 0.00 57.88 58.52 3abk h LEU 13 Cb 0.00 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 3abk h LEU 13 CO -0.05 0.85 0.39 0.00 -0.34 0.00 0.00 178.44 179.28 3abk h ALA 14 N 0.51 0.96 -0.00 1.25 0.00 -1.94 -0.49 119.26 119.55 3abk h ALA 14 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3abk h ALA 14 Cb 0.79 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3abk h ALA 14 CO 0.04 0.04 0.00 -0.09 0.00 0.00 0.00 179.25 179.25 3abk h ARG 15 N 0.69 0.01 -0.66 0.00 2.43 -0.78 -1.59 114.38 114.47 3abk h ARG 15 Ca 0.33 -0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.60 3abk h ARG 15 Cb 0.26 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.73 3abk h ARG 15 CO -0.21 0.23 0.26 -0.09 -1.51 0.00 0.00 179.97 178.65 3abk h ARG 16 N -0.22 0.43 0.04 0.20 2.43 -1.10 -1.25 114.38 114.91 3abk h ARG 16 Ca 0.00 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3abk h ARG 16 Cb 0.23 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 3abk h ARG 16 CO 0.00 0.28 -0.14 1.25 -1.51 0.00 0.00 179.97 179.85 3abk h LEU 17 N 0.44 -0.40 -0.02 3.80 5.85 -0.79 -1.87 115.31 122.32 3abk h LEU 17 Ca 0.34 0.05 0.03 0.00 0.84 0.00 0.00 57.88 59.15 3abk h LEU 17 Cb 0.45 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 3abk h LEU 17 CO -0.33 -0.20 -0.25 -0.09 -0.34 0.00 0.00 178.44 177.23 3abk h ARG 18 N -0.26 -0.36 -0.74 1.25 2.43 -1.05 -0.57 114.38 115.08 3abk h ARG 18 Ca 0.04 0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.38 3abk h ARG 18 Cb 0.30 0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 29.83 3abk h ARG 18 CO -0.11 -0.24 0.25 0.35 -1.51 0.00 0.00 179.97 178.70 3abk h PHE 19 N -0.38 0.41 0.00 2.20 3.04 -1.09 -1.27 116.94 119.85 3abk h PHE 19 Ca 0.07 0.04 -0.17 0.00 3.98 0.00 0.00 57.97 61.88 3abk h PHE 19 Cb 0.47 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.88 3abk h PHE 19 CO -0.29 0.00 -0.92 0.45 -2.02 0.00 0.00 178.31 175.53 3abk h HIS 20 N 0.37 0.00 -0.19 0.41 3.86 -0.54 -1.60 115.15 117.46 3abk h HIS 20 Ca 0.41 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.45 3abk h HIS 20 Cb 0.65 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.12 3abk h HIS 20 CO -0.20 0.76 -0.53 0.82 0.86 0.00 0.00 177.93 179.63 3abk h ILE 21 N 0.00 1.31 -0.09 2.45 1.08 -0.70 0.23 117.51 121.79 3abk h ILE 21 Ca -0.05 -1.77 0.01 0.00 -0.39 0.00 0.00 64.86 62.66 3abk h ILE 21 Cb 1.62 1.91 -0.01 0.00 -3.07 0.00 0.00 36.82 37.27 3abk h ILE 21 CO 0.09 0.55 0.02 0.58 -0.69 0.00 0.00 178.15 178.71 3abk h VAL 22 N 0.39 0.97 -0.71 1.67 2.07 -1.23 -1.14 116.25 118.27 3abk h VAL 22 Ca -0.01 -0.02 0.16 0.00 0.82 0.00 0.00 66.70 67.64 3abk h VAL 22 Cb 1.15 0.90 -0.11 0.00 -1.52 0.00 0.00 31.29 31.71 3abk h VAL 22 CO 0.11 0.01 0.12 1.23 0.02 0.00 0.00 177.57 179.06 3abk h GLY 23 N 0.06 0.92 0.92 2.17 0.00 -1.18 -1.69 103.07 104.27 3abk h GLY 23 Ca 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 3abk h GLY 23 CO -0.04 -0.22 0.12 0.00 0.00 0.00 0.00 176.54 176.40 3abk h ALA 24 N 1.62 0.41 -0.56 3.60 0.00 -0.03 -1.90 119.26 122.40 3abk h ALA 24 Ca 0.40 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.25 3abk h ALA 24 Cb 0.68 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 3abk h ALA 24 CO -0.54 0.02 0.23 0.35 0.00 0.00 0.00 179.25 179.31 3abk h PHE 25 N 0.36 0.40 -0.14 0.00 3.57 -0.94 0.02 116.94 120.21 3abk h PHE 25 Ca 0.11 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.68 3abk h PHE 25 Cb 0.20 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.78 3abk h PHE 25 CO -0.00 0.13 -0.33 0.52 -2.23 0.00 0.00 178.31 176.40 3abk h MET 26 N 0.42 -0.38 -0.83 1.11 2.86 -1.07 -1.10 114.93 115.94 3abk h MET 26 Ca 0.27 0.03 0.09 0.00 -2.06 0.00 0.00 59.70 58.03 3abk h MET 26 Cb 0.29 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.98 3abk h MET 26 CO -0.26 -0.26 0.54 0.28 1.06 0.00 0.00 176.91 178.27 3abk h VAL 27 N -0.40 0.96 0.55 -2.22 2.07 -0.96 -2.41 116.25 113.84 3abk h VAL 27 Ca 0.10 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 3abk h VAL 27 Cb 0.55 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3abk h VAL 27 CO -0.36 0.14 -0.42 0.28 0.02 0.00 0.00 177.57 177.24 3abk h SER 28 N 0.79 -1.10 -0.77 0.57 0.02 0.23 0.18 113.55 113.47 3abk h SER 28 Ca 0.38 0.07 0.11 0.00 -0.84 0.00 0.00 61.79 61.51 3abk h SER 28 Cb 0.41 0.34 -0.12 0.00 0.14 0.00 0.00 62.40 63.18 3abk h SER 28 CO -0.15 -0.60 -0.33 0.18 -1.14 0.00 0.00 176.83 174.79 3abk n LEU 29 N -5.00 -0.56 -0.10 5.07 4.32 -0.75 -0.23 117.00 119.75 3abk n LEU 29 Ca -0.11 1.35 -0.09 0.00 -0.02 0.00 0.00 56.01 57.15 3abk n LEU 29 Cb 0.40 -0.28 -0.01 0.00 -1.62 0.00 0.00 43.42 41.91 3abk n LEU 29 CO 0.26 -1.19 1.01 1.23 -1.22 0.00 0.00 177.39 177.47 3abk h GLY 30 N 0.00 0.48 0.93 -0.72 0.00 -0.97 -0.11 103.07 102.68 3abk h GLY 30 Ca 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 3abk h GLY 30 CO -0.76 0.18 0.04 -2.75 0.00 0.00 0.00 176.54 173.25 3abk h PHE 31 N 0.46 0.10 -0.91 5.60 3.04 -0.35 0.18 116.94 125.06 3abk h PHE 31 Ca 0.12 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.19 3abk h PHE 31 Cb -0.05 -0.03 -0.08 0.00 2.56 0.00 0.00 35.95 38.35 3abk h PHE 31 CO -0.05 0.14 0.54 0.00 -2.02 0.00 0.00 178.31 176.91 3abk h ALA 32 N 0.95 1.35 -0.14 2.41 0.00 -0.40 0.14 119.26 123.56 3abk h ALA 32 Ca 0.02 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3abk h ALA 32 Cb 0.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3abk h ALA 32 CO -0.00 0.12 -0.01 1.15 0.00 0.00 0.00 179.25 180.51 3abk h THR 33 N 0.85 1.26 -0.74 0.00 2.02 -0.74 -0.46 112.91 115.10 3abk h THR 33 Ca 0.46 -0.87 0.08 0.00 0.77 0.00 0.00 66.41 66.84 3abk h THR 33 Cb 0.48 1.56 -0.06 0.00 -1.74 0.00 0.00 68.15 68.38 3abk h THR 33 CO -0.28 0.25 0.41 0.15 0.37 0.00 0.00 175.52 176.43 3abk h PHE 34 N -0.02 0.75 -0.12 3.16 3.57 0.07 -3.09 116.94 121.27 3abk h PHE 34 Ca 0.04 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.36 3abk h PHE 34 Cb 0.39 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 38.91 3abk h PHE 34 CO 0.04 0.33 -0.72 -0.92 -2.23 0.00 0.00 178.31 174.80 3abk h TYR 35 N 0.73 0.96 0.00 0.41 3.20 -0.62 0.17 116.97 121.82 3abk h TYR 35 Ca 0.35 -0.44 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3abk h TYR 35 Cb 0.27 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.40 3abk h TYR 35 CO -0.07 1.26 0.00 1.63 -1.64 0.00 0.00 178.16 179.33 3abk n LYS 36 N -4.02 0.76 0.04 1.82 5.02 -0.20 -0.87 118.16 120.71 3abk n LYS 36 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3abk n LYS 36 Cb 0.72 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.43 3abk n LYS 36 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3abk n PHE 37 N -0.00 -0.43 0.15 2.13 -0.00 -0.95 -3.88 117.46 114.48 3abk n PHE 37 Ca 0.00 0.08 0.03 0.00 -0.00 0.00 0.00 57.45 57.56 3abk n PHE 37 Cb 0.15 0.20 0.09 0.00 -0.00 0.00 0.00 39.48 39.92 3abk n PHE 37 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3abk h ALA 38 N 0.00 0.73 0.00 3.13 0.00 -0.58 -2.77 119.26 119.78 3abk h ALA 38 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3abk h ALA 38 Cb 0.35 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3abk h ALA 38 CO 0.00 0.59 -0.33 0.28 0.00 0.00 0.00 179.25 179.79 3abk n VAL 39 N -3.27 0.92 0.13 0.00 0.31 -0.05 -4.65 118.33 111.72 3abk n VAL 39 Ca 0.02 0.28 -0.08 0.00 -0.01 0.00 0.00 64.34 64.55 3abk n VAL 39 Cb 0.69 -1.59 -0.04 0.00 -0.91 0.00 0.00 33.84 31.98 3abk n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3abk h ALA 40 N -0.04 -0.41 -0.57 3.52 0.00 -1.59 -1.41 119.26 118.76 3abk h ALA 40 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3abk h ALA 40 Cb 0.32 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3abk h ALA 40 CO -0.01 -0.40 0.33 0.93 0.00 0.00 0.00 179.25 180.11 3abk h GLU 41 N -1.07 0.78 -0.87 0.00 4.39 -1.74 -1.82 114.58 114.25 3abk h GLU 41 Ca -0.04 -0.08 0.13 0.00 0.34 0.00 0.00 59.36 59.71 3abk h GLU 41 Cb 0.39 -0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 28.81 3abk h GLU 41 CO 0.07 0.58 0.56 -0.22 -1.16 0.00 0.00 179.01 178.84 3abk h LYS 42 N 0.76 0.68 -0.08 2.33 3.64 -1.50 -1.20 116.57 121.21 3abk h LYS 42 Ca 0.20 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.38 3abk h LYS 42 Cb 0.01 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.69 3abk h LYS 42 CO -0.04 0.45 -0.56 -0.09 -2.27 0.00 0.00 179.45 176.94 3abk h ARG 43 N 0.70 0.52 -0.30 1.90 2.43 -0.47 0.23 114.38 119.40 3abk h ARG 43 Ca 0.43 -0.45 0.02 0.00 -0.81 0.00 0.00 59.98 59.16 3abk h ARG 43 Cb 0.65 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 3abk h ARG 43 CO -0.19 1.09 0.14 0.87 -1.51 0.00 0.00 179.97 180.37 3abk h LYS 44 N 0.11 0.29 -0.57 0.20 1.57 -1.17 -1.62 116.57 115.36 3abk h LYS 44 Ca -0.05 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 3abk h LYS 44 Cb 1.22 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 3abk h LYS 44 CO 0.11 0.19 0.02 -0.22 -0.57 0.00 0.00 179.45 178.99 3abk h LYS 45 N 0.30 1.00 -0.09 3.15 3.64 -1.21 0.73 116.57 124.08 3abk h LYS 45 Ca 0.13 -0.31 0.04 0.00 -1.27 0.00 0.00 60.65 59.24 3abk h LYS 45 Cb 0.05 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.72 3abk h LYS 45 CO -0.10 0.98 -0.26 0.00 -2.27 0.00 0.00 179.45 177.80 3abk h ALA 46 N 0.98 -0.29 -0.22 5.00 0.00 -0.06 -0.28 119.26 124.38 3abk h ALA 46 Ca 0.17 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3abk h ALA 46 Cb 0.51 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3abk h ALA 46 CO 0.02 -0.74 0.05 1.88 0.00 0.00 0.00 179.25 180.46 3abk h TYR 47 N -0.36 0.37 -0.99 0.00 -1.99 -1.24 -1.88 116.97 110.88 3abk h TYR 47 Ca 0.09 -0.05 0.09 0.00 2.00 0.00 0.00 58.73 60.86 3abk h TYR 47 Cb 0.48 -0.10 -0.07 0.00 2.00 0.00 0.00 36.73 39.04 3abk h TYR 47 CO -0.34 0.47 0.63 0.00 -0.00 0.00 0.00 178.16 178.92 3abk h ALA 48 N 0.86 1.42 0.02 3.88 0.00 -0.78 -1.76 119.26 122.91 3abk h ALA 48 Ca 0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3abk h ALA 48 Cb 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3abk h ALA 48 CO 0.00 0.34 -0.01 -0.44 0.00 0.00 0.00 179.25 179.14 3abk h ASP 49 N 1.08 -0.02 -0.39 0.00 3.45 -0.92 -1.61 116.42 118.01 3abk h ASP 49 Ca 0.45 -0.52 0.08 0.00 0.43 0.00 0.00 57.03 57.47 3abk h ASP 49 Cb 0.30 0.01 -0.09 0.00 -0.56 0.00 0.00 39.33 38.98 3abk h ASP 49 CO -0.21 0.52 -0.27 0.15 -1.57 0.00 0.00 179.24 177.86 3abk h PHE 50 N -0.58 -0.71 0.00 4.55 3.57 -1.19 -1.37 116.94 121.20 3abk h PHE 50 Ca -0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3abk h PHE 50 Cb 0.54 0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.66 3abk h PHE 50 CO 0.11 -0.34 0.00 0.66 -2.23 0.00 0.00 178.31 176.51 3abk n TYR 51 N -5.40 0.38 -0.11 0.41 4.02 -0.67 -3.99 117.16 111.80 3abk n TYR 51 Ca 0.02 0.11 -0.05 0.00 -0.01 0.00 0.00 57.90 57.96 3abk n TYR 51 Cb 0.32 -0.68 0.02 0.00 -0.02 0.00 0.00 39.34 38.98 3abk n TYR 51 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 3abk h ARG 52 N 0.00 0.19 -1.01 -0.72 2.43 -0.20 -2.90 114.38 112.16 3abk h ARG 52 Ca 0.00 -0.01 -0.58 0.00 -0.81 0.00 0.00 59.98 58.58 3abk h ARG 52 Cb 0.59 -0.04 -0.41 0.00 -0.42 0.00 0.00 29.97 29.68 3abk h ARG 52 CO 0.00 0.12 -0.58 0.09 -1.51 0.00 0.00 179.97 178.10 3abk n ASN 53 N -5.10 5.22 -4.70 -3.80 3.02 -1.26 -5.05 115.26 103.59 3abk n ASN 53 Ca 0.02 -3.75 -0.40 0.00 -0.03 0.00 0.00 54.58 50.42 3abk n ASN 53 Cb 0.17 -0.45 -0.04 0.00 -0.61 0.00 0.00 39.78 38.84 3abk n ASN 53 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3abk s TYR 54 N -3.62 3.55 -0.37 3.10 5.04 -1.10 -4.99 117.35 118.95 3abk s TYR 54 Ca 0.52 1.28 0.01 0.00 -2.44 0.00 0.00 57.07 56.44 3abk s TYR 54 Cb 0.42 -2.88 0.10 0.00 0.35 0.00 0.00 41.96 39.96 3abk s TYR 54 CO -0.04 0.01 0.12 0.34 -1.34 0.00 0.00 175.55 174.64 3abk s ASP 55 N 0.90 5.01 0.23 4.32 -1.08 -1.26 -4.98 116.67 119.81 3abk s ASP 55 Ca 0.39 -2.07 -0.02 0.00 -0.52 0.00 0.00 52.55 50.33 3abk s ASP 55 Cb -0.18 -1.73 0.25 0.00 -1.46 0.00 0.00 42.92 39.80 3abk s ASP 55 CO 0.18 -0.46 1.64 0.77 0.52 0.00 0.00 175.17 177.82 3abk h SER 56 N 7.83 0.65 -0.21 -0.34 4.64 -1.98 0.37 113.55 124.52 3abk h SER 56 Ca -0.09 -0.25 -0.02 0.00 -0.47 0.00 0.00 61.79 60.96 3abk h SER 56 Cb 1.03 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 3abk h SER 56 CO 0.61 0.91 0.04 0.24 -0.87 0.00 0.00 176.83 177.76 3abk h MET 57 N 0.55 0.34 -0.41 4.77 2.86 -1.98 0.16 114.93 121.21 3abk h MET 57 Ca 0.07 -0.09 0.06 0.00 -2.06 0.00 0.00 59.70 57.68 3abk h MET 57 Cb 0.78 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.34 3abk h MET 57 CO 0.06 0.48 0.10 -0.22 1.06 0.00 0.00 176.91 178.39 3abk h LYS 58 N 0.15 0.23 -0.72 1.72 3.64 -1.94 0.80 116.57 120.44 3abk h LYS 58 Ca 0.06 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.53 3abk h LYS 58 Cb 0.30 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.99 3abk h LYS 58 CO 0.00 0.15 0.36 0.22 -2.27 0.00 0.00 179.45 177.91 3abk h ASP 59 N 0.24 0.45 -0.36 4.20 -0.00 -0.61 -2.05 116.42 118.29 3abk h ASP 59 Ca 0.20 0.07 -0.11 0.00 -0.00 0.00 0.00 57.03 57.18 3abk h ASP 59 Cb 0.22 -0.01 -0.01 0.00 -0.00 0.00 0.00 39.33 39.53 3abk h ASP 59 CO -0.24 0.25 -0.20 0.15 -0.00 0.00 0.00 179.24 179.20 3abk h PHE 60 N 0.59 0.89 0.20 0.28 3.04 -0.27 -2.46 116.94 119.21 3abk h PHE 60 Ca 0.36 -0.23 0.00 0.00 3.98 0.00 0.00 57.97 62.09 3abk h PHE 60 Cb 0.40 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.69 3abk h PHE 60 CO -0.11 0.97 -0.19 1.49 -2.02 0.00 0.00 178.31 178.45 3abk h GLU 61 N 0.56 -0.40 -0.48 1.11 4.57 -0.30 0.64 114.58 120.27 3abk h GLU 61 Ca 0.08 0.03 0.10 0.00 -1.18 0.00 0.00 59.36 58.38 3abk h GLU 61 Cb 0.75 0.09 -0.10 0.00 -0.16 0.00 0.00 28.75 29.33 3abk h GLU 61 CO 0.06 -0.27 -0.19 0.93 -1.18 0.00 0.00 179.01 178.36 3abk h GLU 62 N -0.41 -0.09 -0.26 1.92 5.08 -1.36 0.39 114.58 119.85 3abk h GLU 62 Ca -0.00 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3abk h GLU 62 Cb 0.39 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 3abk h GLU 62 CO -0.04 -0.06 0.11 0.52 -1.00 0.00 0.00 179.01 178.55 3abk h MET 63 N -0.09 0.24 0.03 2.33 2.86 -1.02 -0.64 114.93 118.64 3abk h MET 63 Ca 0.23 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.87 3abk h MET 63 Cb 0.44 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3abk h MET 63 CO -0.54 0.16 -0.12 -0.09 1.06 0.00 0.00 176.91 177.38 3abk h ARG 64 N 0.25 -0.21 -0.79 1.72 2.43 0.13 -2.53 114.38 115.37 3abk h ARG 64 Ca 0.11 0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.45 3abk h ARG 64 Cb 0.05 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 29.55 3abk h ARG 64 CO -0.09 -0.14 0.33 0.87 -1.51 0.00 0.00 179.97 179.42 3abk h LYS 65 N -0.22 0.44 0.00 0.20 6.56 -0.20 -1.34 116.57 122.01 3abk h LYS 65 Ca 0.04 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 3abk h LYS 65 Cb 0.26 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 31.82 3abk h LYS 65 CO -0.10 0.29 0.00 0.00 -2.06 0.00 0.00 179.45 177.58 3abk n ALA 66 N -2.51 1.94 -0.66 3.86 0.00 -0.25 -4.87 120.51 118.02 3abk n ALA 66 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3abk n ALA 66 Cb 0.46 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3abk n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3abk n GLY 67 N 0.15 0.62 0.16 0.00 0.00 -0.50 -5.00 105.19 100.61 3abk n GLY 67 Ca 0.08 -0.49 0.05 0.00 0.00 0.00 0.00 46.02 45.66 3abk n GLY 67 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3abk h ILE 68 N 0.00 0.77 -3.41 -0.61 3.07 -1.69 -3.46 117.51 112.18 3abk h ILE 68 Ca 0.00 -1.89 -0.54 0.00 1.55 0.00 0.00 64.86 63.98 3abk h ILE 68 Cb 0.00 2.23 -0.04 0.00 -0.27 0.00 0.00 36.82 38.74 3abk h ILE 68 CO 0.00 0.41 0.02 -0.36 -1.05 0.00 0.00 178.15 177.17 3abk s PHE 69 N -3.17 3.69 -0.08 0.16 2.99 -1.26 -5.01 117.98 115.30 3abk s PHE 69 Ca 0.03 1.28 -0.27 0.00 0.00 0.00 0.00 56.93 57.97 3abk s PHE 69 Cb 0.08 -2.53 -0.22 0.00 0.00 0.00 0.00 43.02 40.35 3abk s PHE 69 CO 0.72 0.44 0.99 0.37 -0.00 0.00 0.00 175.22 177.74 3abk h GLN 70 N 3.79 -0.01 0.00 0.44 4.15 -2.02 -3.35 115.11 118.11 3abk h GLN 70 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.94 3abk h GLN 70 Cb 1.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.89 3abk h GLN 70 CO 0.65 0.70 0.00 -1.13 -1.93 0.00 0.00 178.83 177.12 3abk n SER 71 N -4.74 0.00 -2.98 -0.69 3.41 -1.26 -4.42 113.62 102.94 3abk n SER 71 Ca -0.09 0.07 -0.13 0.00 -0.26 0.00 0.00 58.87 58.46 3abk n SER 71 Cb 0.36 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 3abk n SER 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3abk n ALA 72 N -1.35 -0.05 0.17 7.33 0.00 -1.25 -5.27 120.51 120.08 3abk n ALA 72 Ca 0.11 -1.91 0.01 0.00 0.00 0.00 0.00 53.44 51.66 3abk n ALA 72 Cb 0.24 -1.19 0.08 0.00 0.00 0.00 0.00 19.45 18.58 3abk n ALA 72 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13