#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 -2.45 -0.18 0.13 -1.26 -4.90 119.36 110.70 3abk n ILE 8 Ca 0.00 0.00 -0.25 0.00 -1.10 0.00 0.00 62.75 61.40 3abk n ILE 8 Cb 0.00 -0.36 0.14 0.00 -0.84 0.00 0.00 39.64 38.59 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 -1.62 -0.43 0.00 9.51 3.00 -1.26 -5.01 118.16 122.36 3abk n LYS 9 Ca 0.00 -2.61 0.00 0.00 -0.00 0.00 0.00 58.31 55.70 3abk n LYS 9 Cb 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 35.03 34.17 3abk n LYS 9 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3abk n ASN 10 N -3.15 0.00 -4.69 3.14 5.15 -1.26 -5.15 115.26 109.30 3abk n ASN 10 Ca 0.17 0.00 -0.44 0.00 -0.60 0.00 0.00 54.58 53.70 3abk n ASN 10 Cb 0.60 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.82 3abk n ASN 10 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3abk n TYR 11 N 0.00 2.38 0.00 1.20 4.19 -1.26 -4.98 117.16 118.69 3abk n TYR 11 Ca 0.00 0.29 0.00 0.00 3.31 0.00 0.00 57.90 61.50 3abk n TYR 11 Cb 0.00 -2.54 0.00 0.00 0.49 0.00 0.00 39.34 37.29 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 2.85 0.00 -4.30 2.98 6.02 -1.26 -5.11 117.38 118.56 3abk n GLN 12 Ca 0.14 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.94 3abk n GLN 12 Cb 0.32 -0.37 -0.09 0.00 1.02 0.00 0.00 30.24 31.12 3abk n GLN 12 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3abk s THR 13 N -0.93 0.11 0.04 5.09 -1.32 -1.26 -5.11 115.64 112.26 3abk s THR 13 Ca 0.00 -2.00 -0.30 0.00 -1.21 0.00 0.00 61.69 58.18 3abk s THR 13 Cb 0.00 -2.48 -0.08 0.00 -1.51 0.00 0.00 72.50 68.42 3abk s THR 13 CO 0.00 0.00 1.77 0.00 -2.21 0.00 0.00 174.62 174.18 3abk s ALA 14 N -3.56 3.66 0.84 11.08 0.00 -1.26 -5.00 121.76 127.51 3abk s ALA 14 Ca 0.38 1.22 -0.12 0.00 0.00 0.00 0.00 51.96 53.45 3abk s ALA 14 Cb 0.04 -3.76 0.10 0.00 0.00 0.00 0.00 23.12 19.49 3abk s ALA 14 CO 0.22 -1.31 1.10 -1.25 0.00 0.00 0.00 175.76 174.52 3abk s PRO 15 N 3.44 1.71 0.22 0.00 0.04 -1.26 -4.97 135.00 134.18 3abk s PRO 15 Ca 0.79 0.63 -0.31 0.00 0.04 0.00 0.00 61.00 62.14 3abk s PRO 15 Cb -0.40 -1.88 -0.15 0.00 0.04 0.00 0.00 34.50 32.12 3abk s PRO 15 CO 0.35 -1.88 1.19 0.34 0.04 0.00 0.00 177.00 177.03 3abk n PHE 16 N -3.61 1.51 -3.99 0.56 -0.00 -1.26 -4.98 117.46 105.70 3abk n PHE 16 Ca 0.07 0.63 -0.31 0.00 -0.00 0.00 0.00 57.45 57.83 3abk n PHE 16 Cb 0.56 -2.32 -0.15 0.00 -0.00 0.00 0.00 39.48 37.57 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 -0.07 4.07 0.64 -2.13 -1.08 -1.26 -5.03 116.67 111.81 3abk s ASP 17 Ca 0.68 -1.26 0.34 0.00 -0.52 0.00 0.00 52.55 51.79 3abk s ASP 17 Cb -0.76 -1.32 1.85 0.00 -1.46 0.00 0.00 42.92 41.23 3abk s ASP 17 CO 0.54 -0.22 2.04 0.77 0.52 0.00 0.00 175.17 178.81 3abk h SER 18 N 7.89 0.00 0.67 -0.34 4.64 -2.00 0.18 113.55 124.59 3abk h SER 18 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3abk h SER 18 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3abk h SER 18 CO 0.43 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.42 3abk h ARG 19 N 0.00 0.00 -2.18 4.77 3.08 -2.02 -3.35 114.38 114.68 3abk h ARG 19 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3abk h ARG 19 Cb 0.41 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 30.07 3abk h ARG 19 CO 0.00 0.00 -1.03 1.19 -1.07 0.00 0.00 179.97 179.06 3abk n PHE 20 N -3.08 -0.72 1.32 3.04 3.01 0.63 -4.96 117.46 116.70 3abk n PHE 20 Ca -0.01 -3.40 0.13 0.00 1.01 0.00 0.00 57.45 55.19 3abk n PHE 20 Cb 0.22 0.00 0.38 0.00 -0.01 0.00 0.00 39.48 40.08 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 2.19 1.76 -2.48 -1.08 -0.04 -1.25 -4.60 135.00 129.51 3abk n PRO 21 Ca 0.26 -1.19 -0.13 0.00 -0.04 0.00 0.00 63.50 62.40 3abk n PRO 21 Cb 0.50 -1.48 0.03 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.42 1.58 -0.01 3.54 3.02 -1.26 -5.02 115.26 117.53 3abk n ASN 22 Ca 0.17 -2.02 -0.03 0.00 -0.03 0.00 0.00 54.58 52.67 3abk n ASN 22 Cb 0.43 -0.17 0.22 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 0.54 -6.26 3.52 4.20 -2.06 -3.40 115.11 111.66 3abk h GLN 23 Ca -0.18 -0.17 -0.59 0.00 0.06 0.00 0.00 58.65 57.77 3abk h GLN 23 Cb 0.76 -0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.40 3abk h GLN 23 CO 0.27 0.68 0.67 1.21 -0.67 0.00 0.00 178.83 180.99 3abk s ASN 24 N -6.77 6.59 -0.05 1.46 3.84 -1.26 -4.84 114.94 113.91 3abk s ASN 24 Ca -0.07 0.35 0.20 0.00 0.21 0.00 0.00 52.86 53.55 3abk s ASN 24 Cb 0.14 -2.48 0.67 0.00 -0.55 0.00 0.00 41.25 39.04 3abk s ASN 24 CO 0.79 -1.04 1.57 0.00 -2.79 0.00 0.00 177.10 175.64 3abk n GLN 25 N 7.19 3.20 -0.10 0.43 1.13 -1.26 -4.59 117.38 123.37 3abk n GLN 25 Ca 0.08 -2.76 -0.01 0.00 -1.94 0.00 0.00 57.00 52.37 3abk n GLN 25 Cb 0.48 -1.71 0.24 0.00 0.11 0.00 0.00 30.24 29.36 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 4.13 1.21 0.02 5.09 2.02 -1.97 -2.29 112.91 121.12 3abk h THR 26 Ca 0.00 -0.71 -0.21 0.00 0.77 0.00 0.00 66.41 66.26 3abk h THR 26 Cb 1.20 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 3abk h THR 26 CO 0.11 0.27 -0.96 -0.09 0.37 0.00 0.00 175.52 175.21 3abk h ARG 27 N 0.74 0.07 -0.25 6.66 9.65 -1.99 -2.42 114.38 126.84 3abk h ARG 27 Ca 0.17 -0.09 0.05 0.00 -1.10 0.00 0.00 59.98 59.01 3abk h ARG 27 Cb 0.23 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.80 3abk h ARG 27 CO -0.01 0.97 -0.07 -0.97 2.80 0.00 0.00 179.97 182.69 3abk h ASN 28 N 0.03 -0.25 -0.03 -3.80 -0.73 -1.74 0.18 115.58 109.23 3abk h ASN 28 Ca -0.03 0.08 0.03 0.00 1.87 0.00 0.00 56.30 58.25 3abk h ASN 28 Cb 1.67 0.16 -0.04 0.00 0.27 0.00 0.00 38.32 40.38 3abk h ASN 28 CO 0.13 -0.09 -0.18 0.00 -0.37 0.00 0.00 177.43 176.92 3abk h TRP 30 N -0.28 0.58 0.04 0.00 2.91 -1.22 -1.31 115.95 116.67 3abk h TRP 30 Ca 0.06 -0.05 -0.00 0.00 1.13 0.00 0.00 58.89 60.03 3abk h TRP 30 Cb 0.37 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 28.85 3abk h TRP 30 CO -0.24 0.53 -0.02 0.37 -1.03 0.00 0.00 178.44 178.05 3abk h GLN 31 N 0.46 -0.05 -0.77 2.65 5.75 -0.61 -1.43 115.11 121.11 3abk h GLN 31 Ca 0.13 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 3abk h GLN 31 Cb 0.20 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 3abk h GLN 31 CO -0.01 0.00 0.46 -0.91 -2.65 0.00 0.00 178.83 175.72 3abk h ASN 32 N -0.08 0.93 -0.03 -0.69 2.35 -1.24 0.12 115.58 116.93 3abk h ASN 32 Ca -0.00 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3abk h ASN 32 Cb 0.07 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 3abk h ASN 32 CO 0.01 0.72 0.02 0.22 -1.65 0.00 0.00 177.43 176.74 3abk h TYR 33 N 1.06 0.05 -0.15 1.19 3.20 -1.00 -1.62 116.97 119.69 3abk h TYR 33 Ca 0.28 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 3abk h TYR 33 Cb -0.03 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3abk h TYR 33 CO 0.00 0.10 0.05 -0.07 -1.64 0.00 0.00 178.16 176.61 3abk h LEU 34 N -0.02 0.22 -0.43 2.82 3.38 -0.98 -1.63 115.31 118.67 3abk h LEU 34 Ca 0.01 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 57.88 3abk h LEU 34 Cb 0.07 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.68 3abk h LEU 34 CO -0.00 0.34 -0.07 0.44 0.09 0.00 0.00 178.44 179.24 3abk h ASP 35 N 0.08 -0.32 0.30 -0.43 3.45 -0.74 0.46 116.42 119.22 3abk h ASP 35 Ca 0.05 0.12 -0.00 0.00 0.43 0.00 0.00 57.03 57.63 3abk h ASP 35 Cb 0.20 0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.19 3abk h ASP 35 CO -0.00 -0.11 -0.25 0.15 -1.57 0.00 0.00 179.24 177.45 3abk h PHE 36 N 0.04 -0.67 -0.04 4.55 3.57 -1.21 0.14 116.94 123.32 3abk h PHE 36 Ca 0.21 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.63 3abk h PHE 36 Cb 0.32 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 3abk h PHE 36 CO -0.34 -0.38 -0.35 0.45 -2.23 0.00 0.00 178.31 175.46 3abk h HIS 37 N -0.57 0.08 0.66 0.41 3.86 -0.95 0.73 115.15 119.36 3abk h HIS 37 Ca -0.02 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 3abk h HIS 37 Cb 0.51 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 28.97 3abk h HIS 37 CO -0.14 0.41 -0.32 0.00 0.86 0.00 0.00 177.93 178.74 3abk h ARG 38 N 0.06 -0.85 -1.00 2.45 3.08 0.05 -2.69 114.38 115.48 3abk h ARG 38 Ca 0.01 0.06 0.21 0.00 0.07 0.00 0.00 59.98 60.33 3abk h ARG 38 Cb 0.65 0.19 -0.11 0.00 0.08 0.00 0.00 29.97 30.79 3abk h ARG 38 CO 0.05 -0.53 0.62 0.00 -1.07 0.00 0.00 179.97 179.03 3abk h GLU 40 N 0.64 0.30 -0.09 0.00 4.81 -0.80 -1.47 114.58 117.98 3abk h GLU 40 Ca 0.59 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.62 3abk h GLU 40 Cb 1.08 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3abk h GLU 40 CO -0.37 0.46 -0.39 -0.22 -0.73 0.00 0.00 179.01 177.76 3abk h LYS 41 N 0.29 0.42 0.02 1.92 3.64 -0.71 -2.02 116.57 120.12 3abk h LYS 41 Ca 0.05 -0.33 -0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3abk h LYS 41 Cb 0.45 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 3abk h LYS 41 CO 0.03 0.97 -0.03 0.00 -2.27 0.00 0.00 179.45 178.15 3abk h ALA 42 N 0.46 -0.72 -1.54 5.00 0.00 -1.21 0.18 119.26 121.43 3abk h ALA 42 Ca -0.02 -0.01 0.50 0.00 0.00 0.00 0.00 54.91 55.38 3abk h ALA 42 Cb 1.03 0.33 -0.12 0.00 0.00 0.00 0.00 17.79 19.03 3abk h ALA 42 CO 0.08 -0.72 1.04 0.52 0.00 0.00 0.00 179.25 180.17 3abk h MET 43 N -0.05 0.01 0.01 0.00 2.86 -1.40 -2.24 114.93 114.13 3abk h MET 43 Ca -0.00 -0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.35 3abk h MET 43 Cb 0.04 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 3abk h MET 43 CO -0.01 0.01 -1.65 1.15 1.06 0.00 0.00 176.91 177.48 3abk h THR 44 N 0.01 0.93 0.00 2.22 2.02 -0.99 -0.22 112.91 116.89 3abk h THR 44 Ca 0.89 -2.76 0.00 0.00 0.77 0.00 0.00 66.41 65.31 3abk h THR 44 Cb 3.07 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 71.96 3abk h THR 44 CO -0.33 0.58 0.00 0.00 0.37 0.00 0.00 175.52 176.14 3abk n ALA 45 N -2.57 0.00 0.00 6.16 0.00 0.60 -3.95 120.51 120.75 3abk n ALA 45 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3abk n ALA 45 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.49 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 0.00 0.00 0.00 0.00 4.76 -1.11 -4.42 118.16 117.40 3abk n LYS 46 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3abk n LYS 46 Cb 0.00 -0.67 0.00 0.00 -1.84 0.00 0.00 35.03 32.52 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 0.00 2.35 2.42 0.72 0.00 -1.24 -4.98 105.19 104.47 3abk n GLY 47 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.96 -3.54 3.68 -0.02 0.00 -0.09 -4.92 105.19 98.33 3abk n GLY 48 Ca 0.00 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.67 6.00 0.54 1.61 3.68 -1.26 -4.52 116.67 120.05 3abk s ASP 49 Ca 0.47 0.15 0.32 0.00 2.13 0.00 0.00 52.55 55.62 3abk s ASP 49 Cb -0.08 -2.05 1.46 0.00 -1.45 0.00 0.00 42.92 40.79 3abk s ASP 49 CO 0.39 0.15 2.03 0.58 0.13 0.00 0.00 175.17 178.46 3abk h VAL 50 N 4.81 0.25 -0.93 1.11 2.07 -1.93 -2.64 116.25 118.99 3abk h VAL 50 Ca -0.39 -0.57 0.27 0.00 0.82 0.00 0.00 66.70 66.83 3abk h VAL 50 Cb 1.16 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.34 3abk h VAL 50 CO 0.72 0.07 0.92 0.77 0.02 0.00 0.00 177.57 180.08 3abk h SER 51 N 0.00 0.00 1.09 0.57 4.64 -2.00 0.18 113.55 118.03 3abk h SER 51 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3abk h SER 51 Cb 0.44 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3abk h SER 51 CO 0.01 0.00 -0.11 -0.37 -0.87 0.00 0.00 176.83 175.49 3abk h VAL 52 N 0.00 0.26 -0.14 0.95 -1.51 -1.90 -3.17 116.25 110.75 3abk h VAL 52 Ca 0.44 -0.87 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 3abk h VAL 52 Cb 2.28 1.69 0.00 0.00 -2.13 0.00 0.00 31.29 33.14 3abk h VAL 52 CO -0.00 0.11 0.00 0.00 -1.23 0.00 0.00 177.57 176.44 3abk h GLU 54 N 1.83 0.62 0.24 0.00 4.57 -1.66 -2.39 114.58 117.80 3abk h GLU 54 Ca 0.00 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3abk h GLU 54 Cb 0.40 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 3abk h GLU 54 CO 0.00 0.41 -0.39 2.35 -1.18 0.00 0.00 179.01 180.20 3abk h TRP 55 N 0.64 -1.07 -0.74 0.92 2.91 -1.88 -1.10 115.95 115.63 3abk h TRP 55 Ca 0.31 0.02 0.15 0.00 1.13 0.00 0.00 58.89 60.50 3abk h TRP 55 Cb 0.25 0.44 -0.05 0.00 -0.51 0.00 0.00 29.16 29.29 3abk h TRP 55 CO -0.09 -0.51 0.50 1.88 -1.03 0.00 0.00 178.44 179.18 3abk h TYR 56 N -0.70 0.45 -0.42 2.65 0.99 -1.83 0.23 116.97 118.33 3abk h TYR 56 Ca -0.00 0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.67 3abk h TYR 56 Cb 0.68 -0.14 -0.02 0.00 1.00 0.00 0.00 36.73 38.25 3abk h TYR 56 CO -0.28 0.17 -0.00 -0.09 -0.00 0.00 0.00 178.16 177.96 3abk h ARG 57 N 0.38 0.75 -0.11 4.88 2.43 -0.87 -1.31 114.38 120.54 3abk h ARG 57 Ca 0.36 -0.24 -0.13 0.00 -0.81 0.00 0.00 59.98 59.16 3abk h ARG 57 Cb 0.86 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3abk h ARG 57 CO -0.11 0.83 -0.43 0.00 -1.51 0.00 0.00 179.97 178.75 3abk h ARG 58 N 0.59 0.48 0.03 0.20 2.47 -0.09 0.12 114.38 118.19 3abk h ARG 58 Ca 0.12 -0.37 -0.00 0.00 -1.26 0.00 0.00 59.98 58.47 3abk h ARG 58 Cb 0.49 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 3abk h ARG 58 CO 0.02 1.00 -0.01 0.28 0.56 0.00 0.00 179.97 181.82 3abk h VAL 59 N 0.07 1.05 -0.22 2.04 2.07 -1.04 0.12 116.25 120.33 3abk h VAL 59 Ca -0.02 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 3abk h VAL 59 Cb 1.06 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3abk h VAL 59 CO 0.09 0.06 -0.16 0.10 0.02 0.00 0.00 177.57 177.68 3abk h TYR 60 N -0.14 0.41 -0.34 1.57 -0.00 -1.19 -1.90 116.97 115.37 3abk h TYR 60 Ca -0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 58.73 58.51 3abk h TYR 60 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 36.73 36.75 3abk h TYR 60 CO -0.04 0.53 -0.41 0.87 -0.00 0.00 0.00 178.16 179.11 3abk h LYS 61 N 0.35 0.85 -0.66 0.10 1.57 -0.63 -1.55 116.57 116.60 3abk h LYS 61 Ca 0.06 -0.46 -0.00 0.00 -1.87 0.00 0.00 60.65 58.39 3abk h LYS 61 Cb 0.49 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 3abk h LYS 61 CO 0.03 1.10 0.41 0.77 -0.57 0.00 0.00 179.45 181.19 3abk h SER 62 N 0.69 0.79 0.23 0.86 0.02 -0.23 -3.36 113.55 112.55 3abk h SER 62 Ca 0.05 -0.05 -0.34 0.00 -0.84 0.00 0.00 61.79 60.61 3abk h SER 62 Cb 0.99 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 3abk h SER 62 CO 0.09 0.60 -2.00 0.18 -1.14 0.00 0.00 176.83 174.56 3abk n LEU 63 N -4.59 1.62 -4.73 5.07 4.77 -0.76 -4.95 117.00 113.44 3abk n LEU 63 Ca 0.05 0.22 -0.40 0.00 -0.03 0.00 0.00 56.01 55.84 3abk n LEU 63 Cb 0.04 -0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 40.73 3abk n LEU 63 CO 0.36 0.64 0.53 0.00 -1.33 0.00 0.00 177.39 177.59 3abk n PRO 65 N 3.24 1.46 -0.36 0.00 -0.02 -1.26 -4.81 135.00 133.25 3abk n PRO 65 Ca 0.00 0.52 0.04 0.00 -2.02 0.00 0.00 63.50 62.04 3abk n PRO 65 Cb 0.50 -2.06 0.19 0.00 -0.02 0.00 0.00 33.50 32.11 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 1.74 1.03 0.00 4.25 2.04 -1.95 -1.90 117.51 122.72 3abk h ILE 66 Ca -0.44 -0.38 -0.11 0.00 1.00 0.00 0.00 64.86 64.93 3abk h ILE 66 Cb 1.33 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3abk h ILE 66 CO 0.58 0.20 -0.51 0.77 0.00 0.00 0.00 178.15 179.19 3abk h SER 67 N 1.10 0.00 -0.07 1.72 4.64 -1.99 0.39 113.55 119.34 3abk h SER 67 Ca 0.44 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.72 3abk h SER 67 Cb 0.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3abk h SER 67 CO -0.20 0.51 -0.11 -0.50 -0.87 0.00 0.00 176.83 175.66 3abk h TRP 68 N 0.00 0.26 -0.85 4.77 4.06 -1.78 -0.86 115.95 121.55 3abk h TRP 68 Ca -0.01 -0.09 -0.01 0.00 2.06 0.00 0.00 58.89 60.84 3abk h TRP 68 Cb 0.97 -0.05 -0.04 0.00 -1.00 0.00 0.00 29.16 29.04 3abk h TRP 68 CO 0.00 0.69 0.48 0.28 -3.56 0.00 0.00 178.44 176.33 3abk h VAL 69 N -0.25 1.25 0.01 1.49 2.07 -1.18 -0.88 116.25 118.76 3abk h VAL 69 Ca 0.01 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 3abk h VAL 69 Cb 0.67 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 3abk h VAL 69 CO 0.03 0.27 -0.00 -1.28 0.02 0.00 0.00 177.57 176.60 3abk h SER 70 N 1.18 -0.01 0.00 0.57 0.87 -0.94 -0.48 113.55 114.74 3abk h SER 70 Ca 0.30 -0.29 0.03 0.00 -1.23 0.00 0.00 61.79 60.60 3abk h SER 70 Cb 0.01 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 3abk h SER 70 CO -0.05 0.28 -0.24 0.74 -0.53 0.00 0.00 176.83 177.03 3abk h THR 71 N -0.30 0.45 -0.90 2.23 2.02 -1.06 0.78 112.91 116.13 3abk h THR 71 Ca -0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 3abk h THR 71 Cb 0.29 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 3abk h THR 71 CO 0.00 0.00 0.58 -0.50 0.37 0.00 0.00 175.52 175.97 3abk h TRP 72 N -0.38 0.99 -0.26 3.16 6.55 -1.12 -0.59 115.95 124.30 3abk h TRP 72 Ca 0.06 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.92 3abk h TRP 72 Cb 0.46 -0.32 -0.01 0.00 -0.86 0.00 0.00 29.16 28.42 3abk h TRP 72 CO -0.28 0.48 0.13 -0.44 -1.05 0.00 0.00 178.44 177.28 3abk h ASP 73 N 0.94 0.34 -0.77 -3.49 3.45 -0.70 0.31 116.42 116.51 3abk h ASP 73 Ca 0.40 -0.12 -0.03 0.00 0.43 0.00 0.00 57.03 57.72 3abk h ASP 73 Cb 0.32 -0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 38.97 3abk h ASP 73 CO -0.17 0.37 0.38 0.44 -1.57 0.00 0.00 179.24 178.69 3abk h ASP 74 N 0.30 1.01 0.39 6.45 3.32 0.10 -1.03 116.42 126.96 3abk h ASP 74 Ca 0.09 -0.11 -0.25 0.00 0.02 0.00 0.00 57.03 56.78 3abk h ASP 74 Cb 0.11 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.41 3abk h ASP 74 CO -0.01 0.85 -1.07 0.03 -1.72 0.00 0.00 179.24 177.32 3abk h ARG 75 N 1.11 0.40 -0.40 3.56 3.08 -0.68 -0.40 114.38 121.06 3abk h ARG 75 Ca 0.27 -0.50 0.06 0.00 0.07 0.00 0.00 59.98 59.87 3abk h ARG 75 Cb 0.10 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 3abk h ARG 75 CO -0.04 1.17 0.11 0.00 -1.07 0.00 0.00 179.97 180.15 3abk h ARG 76 N 0.19 0.25 -0.71 0.04 3.08 -0.02 -0.40 114.38 116.81 3abk h ARG 76 Ca -0.11 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.95 3abk h ARG 76 Cb 1.73 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.69 3abk h ARG 76 CO 0.18 0.16 0.47 0.00 -1.07 0.00 0.00 179.97 179.72 3abk h ALA 77 N 1.28 1.57 0.00 0.04 0.00 -0.96 -2.65 119.26 118.54 3abk h ALA 77 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3abk h ALA 77 Cb 0.20 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3abk h ALA 77 CO -0.22 0.36 -0.17 -1.91 0.00 0.00 0.00 179.25 177.32 3abk n GLU 78 N -4.45 0.14 -0.54 0.00 2.13 -0.18 -4.93 120.64 112.81 3abk n GLU 78 Ca 0.09 0.09 0.00 0.00 0.66 0.00 0.00 57.16 58.00 3abk n GLU 78 Cb 0.11 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.18 3abk n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3abk n GLY 79 N 1.41 0.67 0.01 8.31 0.00 -0.47 -4.97 105.19 110.15 3abk n GLY 79 Ca 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.54 0.71 -2.28 2.61 -2.24 -0.28 -5.02 114.28 105.24 3abk n THR 80 Ca 0.00 -0.72 -0.42 0.00 -2.27 0.00 0.00 64.05 60.64 3abk n THR 80 Cb 0.00 0.63 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 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 -0.73 3.18 -0.69 4.78 5.36 -1.06 -4.91 117.98 123.91 3abk s PHE 81 Ca 0.01 1.03 0.25 0.00 -0.96 0.00 0.00 56.93 57.26 3abk s PHE 81 Cb 0.01 -3.58 0.66 0.00 -0.34 0.00 0.00 43.02 39.76 3abk s PHE 81 CO 0.00 -2.00 1.64 -1.00 -1.46 0.00 0.00 175.22 172.40 3abk h PRO 82 N 7.16 0.00 -7.22 10.12 0.13 -1.95 -3.47 132.00 136.78 3abk h PRO 82 Ca -0.40 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.23 3abk h PRO 82 Cb 1.20 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.37 3abk h PRO 82 CO 0.86 0.00 0.35 0.20 -0.23 0.00 0.00 178.00 179.18 3abk s GLY 83 N -3.64 1.79 -0.11 1.56 0.00 -1.26 -5.04 107.32 100.63 3abk s GLY 83 Ca 0.09 -0.06 -0.22 0.00 0.00 0.00 0.00 44.72 44.53 3abk s GLY 83 CO 0.63 0.19 0.67 0.54 0.00 0.00 0.00 173.10 175.14 3abk s LYS 84 N -4.67 4.37 0.00 2.90 1.02 -1.26 -5.16 119.74 116.94 3abk s LYS 84 Ca 0.55 0.79 0.00 0.00 0.02 0.00 0.00 55.97 57.34 3abk s LYS 84 Cb -0.11 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.72 3abk s LYS 84 CO 0.44 -0.01 0.43 -0.89 -0.92 0.00 0.00 175.35 174.39