#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abk n ILE 8 N 0.00 0.00 -0.46 -0.18 0.13 -1.26 -5.15 119.36 112.44 3abk n ILE 8 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 3abk n ILE 8 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 3abk n ILE 8 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 3abk n LYS 9 N -0.01 3.56 -0.44 9.51 3.00 -1.26 -4.90 118.16 127.62 3abk n LYS 9 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3abk n LYS 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3abk n LYS 9 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3abk n ASN 10 N 0.00 -1.16 -4.65 3.14 3.02 -1.26 -5.05 115.26 109.30 3abk n ASN 10 Ca 0.00 0.00 -0.58 0.00 -0.03 0.00 0.00 54.58 53.97 3abk n ASN 10 Cb 0.00 -0.21 -0.08 0.00 -0.61 0.00 0.00 39.78 38.89 3abk n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3abk n TYR 11 N -2.40 1.92 -0.02 3.10 4.19 -1.26 -4.93 117.16 117.77 3abk n TYR 11 Ca 0.00 0.56 -0.02 0.00 3.31 0.00 0.00 57.90 61.75 3abk n TYR 11 Cb 0.02 -2.44 -0.01 0.00 0.49 0.00 0.00 39.34 37.40 3abk n TYR 11 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 3abk n GLN 12 N 5.81 0.11 -3.89 2.98 6.02 -1.26 -5.11 117.38 122.05 3abk n GLN 12 Ca 0.31 0.14 -0.15 0.00 -0.01 0.00 0.00 57.00 57.29 3abk n GLN 12 Cb 0.12 -0.80 -0.05 0.00 1.02 0.00 0.00 30.24 30.53 3abk n GLN 12 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 3abk n THR 13 N -2.87 0.00 -1.75 5.09 5.66 -1.26 -5.12 114.28 114.03 3abk n THR 13 Ca -0.03 -1.90 -0.42 0.00 -3.05 0.00 0.00 64.05 58.66 3abk n THR 13 Cb 0.09 1.05 -0.03 0.00 -1.55 0.00 0.00 70.33 69.89 3abk n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3abk s ALA 14 N -2.93 3.78 0.79 1.79 0.00 -1.26 -4.99 121.76 118.94 3abk s ALA 14 Ca 0.31 1.44 -0.11 0.00 0.00 0.00 0.00 51.96 53.60 3abk s ALA 14 Cb 0.00 -3.74 0.06 0.00 0.00 0.00 0.00 23.12 19.45 3abk s ALA 14 CO 0.22 -1.14 1.09 -1.25 0.00 0.00 0.00 175.76 174.68 3abk s PRO 15 N 2.40 2.18 0.27 0.00 0.04 -1.26 -4.97 135.00 133.66 3abk s PRO 15 Ca 0.79 0.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 3abk s PRO 15 Cb -0.46 -1.92 -0.14 0.00 0.04 0.00 0.00 34.50 32.02 3abk s PRO 15 CO 0.35 -1.57 1.11 0.34 0.04 0.00 0.00 177.00 177.26 3abk n PHE 16 N -3.41 1.47 -4.22 0.56 -0.00 -1.26 -4.98 117.46 105.61 3abk n PHE 16 Ca 0.07 0.66 -0.32 0.00 -0.00 0.00 0.00 57.45 57.86 3abk n PHE 16 Cb 0.56 -2.29 -0.16 0.00 -0.00 0.00 0.00 39.48 37.58 3abk n PHE 16 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3abk s ASP 17 N -0.33 3.01 0.29 -2.13 -1.08 -1.26 -5.01 116.67 110.15 3abk s ASP 17 Ca 0.62 -0.60 0.25 0.00 -0.52 0.00 0.00 52.55 52.31 3abk s ASP 17 Cb -0.71 -1.40 0.98 0.00 -1.46 0.00 0.00 42.92 40.33 3abk s ASP 17 CO 0.57 0.00 1.76 0.77 0.52 0.00 0.00 175.17 178.80 3abk h SER 18 N 7.82 0.00 0.41 -0.34 4.64 -2.00 -0.70 113.55 123.38 3abk h SER 18 Ca -0.41 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.88 3abk h SER 18 Cb 1.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3abk h SER 18 CO 0.60 0.00 -0.12 0.03 -0.87 0.00 0.00 176.83 176.47 3abk h ARG 19 N 0.00 0.00 -2.29 4.77 3.08 -2.02 -3.35 114.38 114.56 3abk h ARG 19 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3abk h ARG 19 Cb 0.47 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.13 3abk h ARG 19 CO 0.00 0.12 -0.90 1.19 -1.07 0.00 0.00 179.97 179.31 3abk n PHE 20 N -3.60 0.76 1.04 3.04 3.01 -0.27 -4.95 117.46 116.50 3abk n PHE 20 Ca -0.02 -3.71 0.12 0.00 1.01 0.00 0.00 57.45 54.85 3abk n PHE 20 Cb 0.25 -0.26 0.33 0.00 -0.01 0.00 0.00 39.48 39.80 3abk n PHE 20 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3abk n PRO 21 N 1.78 1.96 -1.26 -1.08 -0.04 -1.25 -4.63 135.00 130.48 3abk n PRO 21 Ca 0.25 -1.43 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 3abk n PRO 21 Cb 0.47 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 3abk n PRO 21 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3abk n ASN 22 N 0.68 0.73 0.03 3.54 3.02 -1.26 -5.03 115.26 116.97 3abk n ASN 22 Ca 0.17 -0.93 -0.09 0.00 -0.03 0.00 0.00 54.58 53.70 3abk n ASN 22 Cb 0.43 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.65 3abk n ASN 22 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3abk h GLN 23 N 0.00 0.47 -5.94 3.52 4.20 -2.06 -3.41 115.11 111.89 3abk h GLN 23 Ca 0.00 -0.32 -0.59 0.00 0.06 0.00 0.00 58.65 57.79 3abk h GLN 23 Cb 0.00 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 27.74 3abk h GLN 23 CO 0.00 0.94 0.54 1.21 -0.67 0.00 0.00 178.83 180.85 3abk s ASN 24 N -6.94 6.74 -0.08 1.46 3.84 -1.26 -4.88 114.94 113.82 3abk s ASN 24 Ca -0.06 0.77 0.15 0.00 0.21 0.00 0.00 52.86 53.93 3abk s ASN 24 Cb 0.11 -2.45 0.50 0.00 -0.55 0.00 0.00 41.25 38.86 3abk s ASN 24 CO 0.84 -0.71 1.42 0.00 -2.79 0.00 0.00 177.10 175.86 3abk n GLN 25 N 6.43 3.13 -0.16 0.43 1.13 -1.26 -4.67 117.38 122.41 3abk n GLN 25 Ca 0.06 -2.53 -0.03 0.00 -1.94 0.00 0.00 57.00 52.56 3abk n GLN 25 Cb 0.48 -1.62 0.19 0.00 0.11 0.00 0.00 30.24 29.40 3abk n GLN 25 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3abk h THR 26 N 2.62 1.22 0.01 5.09 2.02 -1.97 -2.55 112.91 119.35 3abk h THR 26 Ca 0.00 -0.74 -0.19 0.00 0.77 0.00 0.00 66.41 66.25 3abk h THR 26 Cb 1.15 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 3abk h THR 26 CO 0.13 0.29 -0.88 -0.09 0.37 0.00 0.00 175.52 175.34 3abk h ARG 27 N 0.87 0.12 -0.39 6.66 9.65 -1.99 -0.93 114.38 128.36 3abk h ARG 27 Ca 0.20 -0.13 0.03 0.00 -1.10 0.00 0.00 59.98 58.98 3abk h ARG 27 Cb 0.22 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.81 3abk h ARG 27 CO -0.01 0.92 0.19 -0.97 2.80 0.00 0.00 179.97 182.90 3abk h ASN 28 N 0.06 0.28 -0.34 -3.80 -0.73 -1.80 0.10 115.58 109.36 3abk h ASN 28 Ca -0.03 0.02 -0.03 0.00 1.87 0.00 0.00 56.30 58.13 3abk h ASN 28 Cb 1.52 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 40.06 3abk h ASN 28 CO 0.13 0.21 0.11 0.00 -0.37 0.00 0.00 177.43 177.50 3abk h TRP 30 N 0.39 0.21 0.27 0.00 2.91 -0.73 -1.68 115.95 117.32 3abk h TRP 30 Ca 0.11 -0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.11 3abk h TRP 30 Cb 0.24 -0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 28.81 3abk h TRP 30 CO 0.01 0.35 -0.25 0.37 -1.03 0.00 0.00 178.44 177.88 3abk h GLN 31 N 0.01 -0.53 -0.51 2.65 5.75 -0.86 -0.29 115.11 121.32 3abk h GLN 31 Ca 0.04 0.04 0.05 0.00 -0.15 0.00 0.00 58.65 58.62 3abk h GLN 31 Cb 0.24 0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 3abk h GLN 31 CO -0.00 -0.35 0.34 -0.91 -2.65 0.00 0.00 178.83 175.26 3abk h ASN 32 N -0.55 0.44 -0.79 -0.69 2.35 -1.43 0.19 115.58 115.11 3abk h ASN 32 Ca -0.01 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 3abk h ASN 32 Cb 0.50 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 3abk h ASN 32 CO -0.04 0.30 0.35 0.22 -1.65 0.00 0.00 177.43 176.61 3abk h TYR 33 N 0.51 1.17 -0.02 1.19 3.20 -0.91 -0.73 116.97 121.38 3abk h TYR 33 Ca 0.22 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 3abk h TYR 33 Cb 0.21 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.13 3abk h TYR 33 CO -0.00 0.87 -0.04 -0.07 -1.64 0.00 0.00 178.16 177.28 3abk h LEU 34 N 1.13 0.07 -0.70 2.82 3.38 -0.01 -2.21 115.31 119.79 3abk h LEU 34 Ca 0.27 -0.54 0.08 0.00 0.09 0.00 0.00 57.88 57.77 3abk h LEU 34 Cb 0.16 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 3abk h LEU 34 CO -0.03 0.60 0.38 0.44 0.09 0.00 0.00 178.44 179.92 3abk h ASP 35 N -0.46 0.53 0.04 -0.43 3.45 -0.59 -0.75 116.42 118.21 3abk h ASP 35 Ca 0.00 0.04 0.01 0.00 0.43 0.00 0.00 57.03 57.51 3abk h ASP 35 Cb 0.59 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 39.29 3abk h ASP 35 CO 0.01 0.33 -0.06 0.15 -1.57 0.00 0.00 179.24 178.09 3abk h PHE 36 N 0.67 -0.16 0.00 4.55 3.57 -1.07 -1.06 116.94 123.45 3abk h PHE 36 Ca 0.33 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.77 3abk h PHE 36 Cb 0.27 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 3abk h PHE 36 CO -0.09 -0.10 -0.28 0.45 -2.23 0.00 0.00 178.31 176.07 3abk h HIS 37 N -0.13 0.00 0.20 0.41 3.86 -0.88 0.35 115.15 118.96 3abk h HIS 37 Ca 0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3abk h HIS 37 Cb 0.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.61 3abk h HIS 37 CO -0.11 0.28 -0.10 0.00 0.86 0.00 0.00 177.93 178.86 3abk h ARG 38 N 0.00 -0.26 -0.45 2.45 3.08 -1.08 -1.00 114.38 117.12 3abk h ARG 38 Ca -0.00 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.15 3abk h ARG 38 Cb 0.84 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.87 3abk h ARG 38 CO 0.04 0.13 -0.07 0.00 -1.07 0.00 0.00 179.97 179.00 3abk h GLU 40 N 0.04 0.00 0.09 0.00 4.81 -0.92 -0.02 114.58 118.59 3abk h GLU 40 Ca 0.22 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3abk h GLU 40 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3abk h GLU 40 CO -0.42 0.05 -0.04 -0.22 -0.73 0.00 0.00 179.01 177.64 3abk h LYS 41 N 0.00 -0.12 -0.62 1.92 3.64 0.46 -2.79 116.57 119.07 3abk h LYS 41 Ca -0.00 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 3abk h LYS 41 Cb 0.48 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.24 3abk h LYS 41 CO 0.01 0.38 0.19 0.00 -2.27 0.00 0.00 179.45 177.76 3abk h ALA 42 N 0.11 0.78 -3.00 5.00 0.00 -0.68 -1.74 119.26 119.73 3abk h ALA 42 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3abk h ALA 42 Cb 0.55 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3abk h ALA 42 CO 0.02 -0.24 0.00 -1.33 0.00 0.00 0.00 179.25 177.70 3abk n MET 43 N -5.05 0.00 0.00 0.00 2.81 -0.06 -1.29 117.12 113.53 3abk n MET 43 Ca 0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 3abk n MET 43 Cb 0.31 -0.32 0.00 0.00 -0.71 0.00 0.00 33.22 32.50 3abk n MET 43 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3abk n THR 44 N -0.07 0.00 0.00 2.03 -1.04 -1.05 0.42 114.28 114.57 3abk n THR 44 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3abk n THR 44 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3abk n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3abk n ALA 45 N -2.76 -0.19 0.00 2.41 0.00 -0.65 -3.02 120.51 116.30 3abk n ALA 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3abk n ALA 45 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.56 3abk n ALA 45 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3abk n LYS 46 N -1.51 0.00 -1.61 0.00 4.76 0.17 -4.59 118.16 115.38 3abk n LYS 46 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 3abk n LYS 46 Cb 0.00 -0.94 -0.04 0.00 -1.84 0.00 0.00 35.03 32.21 3abk n LYS 46 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3abk n GLY 47 N -0.05 0.75 0.00 0.72 0.00 -1.11 -4.96 105.19 100.54 3abk n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3abk n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3abk n GLY 48 N -0.36 -0.36 2.94 -0.02 0.00 -1.20 -4.97 105.19 101.21 3abk n GLY 48 Ca -0.12 -1.49 -0.28 0.00 0.00 0.00 0.00 46.02 44.13 3abk n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3abk s ASP 49 N -1.14 2.29 0.61 1.61 3.68 -1.26 -4.49 116.67 117.97 3abk s ASP 49 Ca 0.00 -0.34 0.28 0.00 2.13 0.00 0.00 52.55 54.61 3abk s ASP 49 Cb 0.00 -0.92 1.40 0.00 -1.45 0.00 0.00 42.92 41.95 3abk s ASP 49 CO 0.00 -0.10 1.81 0.58 0.13 0.00 0.00 175.17 177.59 3abk h VAL 50 N 6.14 0.24 -0.07 1.11 2.07 -1.94 -2.56 116.25 121.25 3abk h VAL 50 Ca -0.32 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.22 3abk h VAL 50 Cb 1.13 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3abk h VAL 50 CO 0.44 0.00 0.07 0.77 0.02 0.00 0.00 177.57 178.87 3abk h SER 51 N 0.00 0.00 1.07 0.57 4.64 -2.00 -0.00 113.55 117.83 3abk h SER 51 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3abk h SER 51 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3abk h SER 51 CO -0.00 0.00 0.00 -0.37 -0.87 0.00 0.00 176.83 175.59 3abk h VAL 52 N 0.00 0.00 -0.00 0.95 -1.51 -1.90 -3.00 116.25 110.79 3abk h VAL 52 Ca 0.03 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 3abk h VAL 52 Cb 0.17 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 3abk h VAL 52 CO -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 177.57 176.34 3abk h GLU 54 N 0.00 0.77 -0.72 0.00 4.57 -1.64 -2.76 114.58 114.81 3abk h GLU 54 Ca 0.00 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.19 3abk h GLU 54 Cb 0.34 -0.17 -0.06 0.00 -0.16 0.00 0.00 28.75 28.69 3abk h GLU 54 CO 0.00 0.51 0.41 2.35 -1.18 0.00 0.00 179.01 181.11 3abk h TRP 55 N 0.80 0.76 -0.28 0.92 2.91 -1.86 -0.38 115.95 118.82 3abk h TRP 55 Ca 0.49 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 60.44 3abk h TRP 55 Cb 0.62 -0.24 -0.01 0.00 -0.51 0.00 0.00 29.16 29.02 3abk h TRP 55 CO -0.04 0.37 -0.24 1.88 -1.03 0.00 0.00 178.44 179.38 3abk h TYR 56 N 0.76 0.61 -0.60 2.65 0.99 -1.82 -0.15 116.97 119.41 3abk h TYR 56 Ca 0.32 -0.13 -0.06 0.00 2.00 0.00 0.00 58.73 60.86 3abk h TYR 56 Cb 0.19 -0.15 -0.02 0.00 1.00 0.00 0.00 36.73 37.74 3abk h TYR 56 CO -0.07 0.74 0.15 -0.09 -0.00 0.00 0.00 178.16 178.89 3abk h ARG 57 N 0.48 0.97 0.46 4.88 2.43 -1.19 -1.28 114.38 121.13 3abk h ARG 57 Ca 0.07 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 58.99 3abk h ARG 57 Cb 0.68 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3abk h ARG 57 CO 0.05 0.88 -0.22 0.00 -1.51 0.00 0.00 179.97 179.17 3abk h ARG 58 N 0.88 -0.60 -0.63 0.20 2.47 -0.60 -1.46 114.38 114.63 3abk h ARG 58 Ca 0.19 0.04 0.12 0.00 -1.26 0.00 0.00 59.98 59.07 3abk h ARG 58 Cb 0.35 0.14 -0.12 0.00 -1.65 0.00 0.00 29.97 28.69 3abk h ARG 58 CO 0.00 -0.30 -0.24 0.28 0.56 0.00 0.00 179.97 180.27 3abk h VAL 59 N -0.94 0.25 -0.11 2.04 2.07 -1.11 -1.76 116.25 116.69 3abk h VAL 59 Ca -0.06 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.30 3abk h VAL 59 Cb 0.58 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 3abk h VAL 59 CO 0.10 0.00 -0.61 0.10 0.02 0.00 0.00 177.57 177.19 3abk h TYR 60 N -0.08 0.46 -0.65 1.57 -0.00 -1.23 -2.45 116.97 114.60 3abk h TYR 60 Ca 0.28 -0.18 -0.05 0.00 0.00 0.00 0.00 58.73 58.78 3abk h TYR 60 Cb 0.52 -0.08 -0.03 0.00 0.00 0.00 0.00 36.73 37.14 3abk h TYR 60 CO -0.58 0.87 0.21 0.87 -0.00 0.00 0.00 178.16 179.53 3abk h LYS 61 N 0.27 1.00 -0.97 0.10 1.79 -1.18 0.15 116.57 117.73 3abk h LYS 61 Ca -0.01 -0.21 0.03 0.00 -2.18 0.00 0.00 60.65 58.28 3abk h LYS 61 Cb 1.13 -0.15 -0.05 0.00 -1.58 0.00 0.00 32.23 31.58 3abk h LYS 61 CO 0.10 0.87 0.63 0.77 -1.08 0.00 0.00 179.45 180.75 3abk h SER 62 N 0.93 1.06 0.12 0.86 0.02 -1.14 -3.36 113.55 112.04 3abk h SER 62 Ca 0.21 -0.01 -0.36 0.00 -0.84 0.00 0.00 61.79 60.78 3abk h SER 62 Cb 0.29 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 3abk h SER 62 CO -0.01 0.74 -2.18 0.18 -1.14 0.00 0.00 176.83 174.42 3abk n LEU 63 N -4.46 2.06 -4.68 5.07 4.77 -0.94 -4.97 117.00 113.86 3abk n LEU 63 Ca 0.13 0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.78 3abk n LEU 63 Cb 0.08 -0.59 -0.04 0.00 -2.33 0.00 0.00 43.42 40.54 3abk n LEU 63 CO 0.35 0.76 0.58 0.00 -1.33 0.00 0.00 177.39 177.75 3abk n PRO 65 N 4.85 0.85 -0.12 0.00 -0.02 -1.26 -4.84 135.00 134.47 3abk n PRO 65 Ca 0.04 0.31 0.01 0.00 -2.02 0.00 0.00 63.50 61.83 3abk n PRO 65 Cb 0.49 -1.65 0.29 0.00 -0.02 0.00 0.00 33.50 32.62 3abk n PRO 65 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3abk h ILE 66 N 1.24 1.17 0.00 4.25 2.04 -1.95 -2.15 117.51 122.11 3abk h ILE 66 Ca -0.40 -0.43 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 3abk h ILE 66 Cb 1.38 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3abk h ILE 66 CO 0.55 0.19 -0.24 0.77 0.00 0.00 0.00 178.15 179.42 3abk h SER 67 N 0.80 0.00 0.00 1.72 4.64 -1.99 -0.55 113.55 118.17 3abk h SER 67 Ca 0.21 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3abk h SER 67 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3abk h SER 67 CO -0.03 0.24 -0.00 -0.50 -0.87 0.00 0.00 176.83 175.66 3abk h TRP 68 N 0.00 -0.00 -0.50 4.77 4.06 -1.76 -0.97 115.95 121.54 3abk h TRP 68 Ca -0.00 -0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.04 3abk h TRP 68 Cb 0.83 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.92 3abk h TRP 68 CO 0.00 0.77 0.09 0.28 -3.56 0.00 0.00 178.44 176.02 3abk h VAL 69 N -0.79 0.70 -0.57 1.49 2.07 -1.46 0.28 116.25 117.97 3abk h VAL 69 Ca -0.00 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 3abk h VAL 69 Cb 0.78 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3abk h VAL 69 CO 0.00 0.04 0.01 -1.28 0.02 0.00 0.00 177.57 176.36 3abk h SER 70 N 0.22 0.98 -0.60 0.57 0.87 -1.13 0.21 113.55 114.69 3abk h SER 70 Ca 0.25 -0.30 -0.06 0.00 -1.23 0.00 0.00 61.79 60.45 3abk h SER 70 Cb 0.35 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 3abk h SER 70 CO -0.34 1.04 0.14 0.74 -0.53 0.00 0.00 176.83 177.88 3abk h THR 71 N 0.89 1.25 -0.49 2.23 2.02 -0.83 -0.96 112.91 117.03 3abk h THR 71 Ca 0.16 -0.92 -0.13 0.00 0.77 0.00 0.00 66.41 66.29 3abk h THR 71 Cb 0.53 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 3abk h THR 71 CO 0.03 0.34 -0.20 -0.50 0.37 0.00 0.00 175.52 175.56 3abk h TRP 72 N 0.87 1.14 -0.40 3.16 6.55 -0.29 -1.00 115.95 125.98 3abk h TRP 72 Ca 0.19 -0.27 0.01 0.00 0.95 0.00 0.00 58.89 59.77 3abk h TRP 72 Cb 0.36 -0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 28.37 3abk h TRP 72 CO 0.03 1.10 0.25 -0.44 -1.05 0.00 0.00 178.44 178.32 3abk h ASP 73 N 0.85 0.41 -0.83 -3.49 3.45 -0.88 0.14 116.42 116.07 3abk h ASP 73 Ca 0.11 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.58 3abk h ASP 73 Cb 0.78 -0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 39.42 3abk h ASP 73 CO 0.06 0.29 0.53 0.44 -1.57 0.00 0.00 179.24 179.00 3abk h ASP 74 N 0.50 0.97 -0.09 6.45 3.32 -0.72 -2.47 116.42 124.38 3abk h ASP 74 Ca 0.16 -0.04 -0.18 0.00 0.02 0.00 0.00 57.03 56.99 3abk h ASP 74 Cb -0.01 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 3abk h ASP 74 CO -0.06 0.72 -0.58 0.03 -1.72 0.00 0.00 179.24 177.62 3abk h ARG 75 N 1.13 0.69 -0.00 3.56 3.08 -0.79 -0.10 114.38 121.95 3abk h ARG 75 Ca 0.30 -0.46 0.02 0.00 0.07 0.00 0.00 59.98 59.91 3abk h ARG 75 Cb -0.10 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3abk h ARG 75 CO -0.06 1.08 -0.12 0.00 -1.07 0.00 0.00 179.97 179.79 3abk h ARG 76 N 0.52 -0.20 -0.45 0.04 3.08 -0.53 0.10 114.38 116.94 3abk h ARG 76 Ca 0.00 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.13 3abk h ARG 76 Cb 1.16 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 3abk h ARG 76 CO 0.12 -0.13 0.31 0.00 -1.07 0.00 0.00 179.97 179.19 3abk h ALA 77 N 0.76 1.97 0.00 0.04 0.00 -1.29 0.12 119.26 120.87 3abk h ALA 77 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3abk h ALA 77 Cb 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3abk h ALA 77 CO -0.13 -0.06 -0.32 1.49 0.00 0.00 0.00 179.25 180.23 3abk h GLU 78 N 0.35 0.00 -0.02 0.00 4.81 -0.35 -3.47 114.58 115.90 3abk h GLU 78 Ca 0.20 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3abk h GLU 78 Cb 0.34 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 3abk h GLU 78 CO -0.05 0.00 -0.01 0.41 -0.73 0.00 0.00 179.01 178.64 3abk n GLY 79 N 1.31 0.45 0.43 1.92 0.00 0.43 -4.94 105.19 104.79 3abk n GLY 79 Ca 0.04 -0.67 0.09 0.00 0.00 0.00 0.00 46.02 45.48 3abk n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3abk n THR 80 N -2.98 2.06 -2.40 2.61 -2.24 -0.24 -5.00 114.28 106.10 3abk n THR 80 Ca -0.00 -2.09 -0.42 0.00 -2.27 0.00 0.00 64.05 59.26 3abk n THR 80 Cb 0.02 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 67.98 3abk n THR 80 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3abk s PHE 81 N -2.85 3.08 -0.80 4.78 5.36 -1.08 -4.90 117.98 121.57 3abk s PHE 81 Ca 0.36 1.10 0.26 0.00 -0.96 0.00 0.00 56.93 57.70 3abk s PHE 81 Cb 0.31 -3.48 0.94 0.00 -0.34 0.00 0.00 43.02 40.44 3abk s PHE 81 CO 0.06 -1.61 1.81 -0.35 -1.46 0.00 0.00 175.22 173.66 3abk n PRO 82 N 5.38 0.17 -2.67 10.12 -0.04 -1.26 -4.85 135.00 141.85 3abk n PRO 82 Ca 0.12 0.17 -0.25 0.00 -0.04 0.00 0.00 63.50 63.49 3abk n PRO 82 Cb 0.45 -1.71 0.02 0.00 -0.04 0.00 0.00 33.50 32.22 3abk n PRO 82 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3abk s GLY 83 N -3.39 1.57 -0.17 0.55 0.00 -1.26 -5.04 107.32 99.57 3abk s GLY 83 Ca 0.11 -0.79 -0.17 0.00 0.00 0.00 0.00 44.72 43.86 3abk s GLY 83 CO 0.55 -0.58 0.46 1.25 0.00 0.00 0.00 173.10 174.79 3abk s LYS 84 N -4.78 4.24 0.00 2.90 2.20 -1.26 -5.17 119.74 117.87 3abk s LYS 84 Ca 0.50 0.36 0.00 0.00 -0.36 0.00 0.00 55.97 56.47 3abk s LYS 84 Cb -0.10 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 3abk s LYS 84 CO 0.42 0.00 0.26 -0.89 -0.36 0.00 0.00 175.35 174.79