#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tpk s ASN -2 N 0.00 7.10 -0.23 1.61 3.84 -1.22 -4.50 114.94 121.54 1tpk s ASN -2 Ca 0.00 2.30 0.04 0.00 0.21 0.00 0.00 52.86 55.40 1tpk s ASN -2 Cb 0.00 -2.62 -0.17 0.00 -0.55 0.00 0.00 41.25 37.92 1tpk s ASN -2 CO 0.00 -0.33 -0.18 -1.54 -2.79 0.00 0.00 177.10 172.26 1tpk n SER -1 N 1.99 1.88 -0.05 -4.21 3.41 -1.26 -0.86 113.62 114.52 1tpk n SER -1 Ca 0.02 -0.11 -0.06 0.00 -0.26 0.00 0.00 58.87 58.46 1tpk n SER -1 Cb 0.44 -0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 64.14 1tpk n SER -1 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1tpk n ASP 0 N -3.14 3.20 -4.46 4.04 -0.08 -1.26 -4.04 116.55 110.81 1tpk n ASP 0 Ca -0.41 -0.04 -0.22 0.00 -1.51 0.00 0.00 54.79 52.61 1tpk n ASP 0 Cb 0.98 0.12 -0.10 0.00 2.34 0.00 0.00 41.12 44.46 1tpk n ASP 0 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1tpk s TYR 2 N -2.88 3.16 0.01 0.00 -0.85 -0.56 -4.77 117.35 111.46 1tpk s TYR 2 Ca 0.30 0.05 0.02 0.00 -0.52 0.00 0.00 57.07 56.91 1tpk s TYR 2 Cb 0.03 -1.59 -0.04 0.00 0.38 0.00 0.00 41.96 40.74 1tpk s TYR 2 CO 0.13 0.52 0.00 -0.06 -1.52 0.00 0.00 175.55 174.62 1tpk s PHE 3 N -1.47 3.08 0.00 -3.49 0.08 -1.26 -0.65 117.98 114.27 1tpk s PHE 3 Ca 0.29 0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.42 1tpk s PHE 3 Cb -0.12 -1.66 0.00 0.00 -0.57 0.00 0.00 43.02 40.67 1tpk s PHE 3 CO 0.22 0.47 0.00 0.41 -0.10 0.00 0.00 175.22 176.22 1tpk n GLY 4 N 1.31 2.47 0.72 4.36 0.00 -1.26 -0.60 105.19 112.20 1tpk n GLY 4 Ca -0.14 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 45.94 1tpk n GLY 4 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1tpk n ASN 5 N 10.04 2.82 -0.70 1.61 2.04 -1.26 -4.96 115.26 124.85 1tpk n ASN 5 Ca 0.00 -1.85 -0.05 0.00 -0.44 0.00 0.00 54.58 52.24 1tpk n ASN 5 Cb 0.00 -0.19 0.00 0.00 -2.53 0.00 0.00 39.78 37.06 1tpk n ASN 5 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1tpk n GLY 6 N 0.79 0.32 0.18 4.83 0.00 0.24 -3.50 105.19 108.05 1tpk n GLY 6 Ca 0.12 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.63 1tpk n GLY 6 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1tpk h SER 7 N -0.17 0.00 0.56 1.61 4.64 -1.76 -3.22 113.55 115.20 1tpk h SER 7 Ca -0.11 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 1tpk h SER 7 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1tpk h SER 7 CO 0.12 0.00 -0.46 0.00 -0.87 0.00 0.00 176.83 175.62 1tpk n ALA 8 N -2.00 3.41 -1.80 5.18 0.00 -1.26 -4.82 120.51 119.21 1tpk n ALA 8 Ca 0.04 -0.32 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 1tpk n ALA 8 Cb 0.50 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 1tpk n ALA 8 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1tpk s TYR 9 N -3.01 1.54 -0.30 0.00 5.04 -1.22 -3.42 117.35 115.98 1tpk s TYR 9 Ca 0.11 -0.21 0.12 0.00 -2.44 0.00 0.00 57.07 54.65 1tpk s TYR 9 Cb 0.17 -4.12 0.47 0.00 0.35 0.00 0.00 41.96 38.83 1tpk s TYR 9 CO 0.69 -4.92 1.14 0.54 -1.34 0.00 0.00 175.55 171.66 1tpk n ARG 10 N 7.40 2.91 -1.40 4.97 5.12 -0.04 -4.82 116.66 130.81 1tpk n ARG 10 Ca 0.19 -3.96 -0.13 0.00 -1.93 0.00 0.00 57.85 52.02 1tpk n ARG 10 Cb 0.42 -2.02 0.07 0.00 -1.16 0.00 0.00 32.46 29.77 1tpk n ARG 10 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1tpk n GLY 11 N -0.61 0.09 0.80 -0.13 0.00 -0.08 -4.51 105.19 100.75 1tpk n GLY 11 Ca 0.31 -1.90 0.07 0.00 0.00 0.00 0.00 46.02 44.50 1tpk n GLY 11 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tpk n THR 12 N -2.37 1.76 -1.92 2.61 -2.24 -1.26 -4.68 114.28 106.19 1tpk n THR 12 Ca 0.08 -1.51 -0.42 0.00 -2.27 0.00 0.00 64.05 59.93 1tpk n THR 12 Cb 0.29 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.55 1tpk n THR 12 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1tpk s HIS 13 N -2.08 2.91 -0.05 4.78 5.04 -1.26 -4.84 115.29 119.79 1tpk s HIS 13 Ca 0.34 0.55 0.07 0.00 -1.54 0.00 0.00 55.06 54.49 1tpk s HIS 13 Cb 0.25 -3.94 0.11 0.00 0.04 0.00 0.00 32.58 29.04 1tpk s HIS 13 CO 0.12 -3.55 1.01 -1.13 -2.34 0.00 0.00 174.74 168.85 1tpk n SER 14 N 4.33 1.09 -4.29 9.88 3.41 -1.26 -0.44 113.62 126.34 1tpk n SER 14 Ca 0.14 -2.34 -0.31 0.00 -0.26 0.00 0.00 58.87 56.11 1tpk n SER 14 Cb 0.39 -0.26 -0.16 0.00 -0.26 0.00 0.00 64.21 63.92 1tpk n SER 14 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1tpk s LEU 15 N -1.21 2.05 0.00 1.04 1.43 -1.26 -1.50 118.68 119.23 1tpk s LEU 15 Ca 0.13 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 52.67 1tpk s LEU 15 Cb 0.11 -1.34 0.18 0.00 0.03 0.00 0.00 46.19 45.17 1tpk s LEU 15 CO 0.01 0.29 1.12 0.35 0.23 0.00 0.00 176.35 178.35 1tpk n THR 16 N 2.64 0.00 -0.22 5.49 -2.24 0.28 -3.45 114.28 116.78 1tpk n THR 16 Ca -0.17 -1.28 0.10 0.00 -2.27 0.00 0.00 64.05 60.43 1tpk n THR 16 Cb 0.51 -1.18 0.38 0.00 -2.10 0.00 0.00 70.33 67.94 1tpk n THR 16 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1tpk h GLU 17 N 0.00 0.68 -0.45 -0.78 5.08 -1.26 0.10 114.58 117.94 1tpk h GLU 17 Ca -0.37 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1tpk h GLU 17 Cb 1.18 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1tpk h GLU 17 CO 0.32 0.45 0.00 -1.13 -1.00 0.00 0.00 179.01 177.65 1tpk n SER 18 N -4.51 2.39 -0.46 1.42 3.41 -1.26 -4.92 113.62 109.68 1tpk n SER 18 Ca 0.14 -2.04 -0.06 0.00 -0.26 0.00 0.00 58.87 56.65 1tpk n SER 18 Cb 0.37 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1tpk n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tpk n GLY 19 N 1.11 0.83 3.88 5.00 0.00 0.02 -5.03 105.19 111.00 1tpk n GLY 19 Ca 0.14 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 1tpk n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tpk s ALA 20 N -2.16 3.34 0.04 4.61 0.00 -1.26 -4.80 121.76 121.53 1tpk s ALA 20 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1tpk s ALA 20 Cb 0.00 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.38 1tpk s ALA 20 CO 0.00 -0.11 0.14 -1.54 0.00 0.00 0.00 175.76 174.25 1tpk s SER 21 N -3.37 5.98 0.42 0.00 1.04 -1.26 -0.55 113.70 115.95 1tpk s SER 21 Ca 0.51 0.18 -0.26 0.00 0.48 0.00 0.00 55.95 56.86 1tpk s SER 21 Cb -0.10 -1.76 -0.10 0.00 0.10 0.00 0.00 66.02 64.16 1tpk s SER 21 CO 0.35 0.21 1.29 0.00 0.98 0.00 0.00 173.24 176.07 1tpk s LEU 23 N -1.73 3.70 0.49 0.00 1.43 0.36 -4.85 118.68 118.09 1tpk s LEU 23 Ca 0.61 2.02 -0.21 0.00 -1.03 0.00 0.00 54.13 55.51 1tpk s LEU 23 Cb -0.51 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.08 1tpk s LEU 23 CO 0.58 -1.11 1.13 -2.84 0.23 0.00 0.00 176.35 174.34 1tpk s PRO 24 N -3.47 3.63 0.14 1.29 0.02 -1.26 -4.59 135.00 130.76 1tpk s PRO 24 Ca 0.69 1.65 0.15 0.00 0.02 0.00 0.00 61.00 63.51 1tpk s PRO 24 Cb -0.20 -2.23 0.70 0.00 0.02 0.00 0.00 34.50 32.79 1tpk s PRO 24 CO 0.28 -0.63 1.46 0.91 -0.33 0.00 0.00 177.00 178.69 1tpk n TRP 25 N -0.83 0.39 -0.18 6.54 7.02 -0.19 -2.28 117.44 127.91 1tpk n TRP 25 Ca 0.09 0.17 0.06 0.00 -1.02 0.00 0.00 57.50 56.81 1tpk n TRP 25 Cb 0.50 -0.78 0.17 0.00 -2.42 0.00 0.00 31.31 28.77 1tpk n TRP 25 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 1tpk n ASN 26 N -1.87 3.02 -4.72 -0.99 6.94 -1.26 -0.69 115.26 115.69 1tpk n ASN 26 Ca 0.01 -1.99 -0.42 0.00 -0.02 0.00 0.00 54.58 52.15 1tpk n ASN 26 Cb 0.11 -0.25 -0.01 0.00 -2.36 0.00 0.00 39.78 37.27 1tpk n ASN 26 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1tpk n SER 27 N 0.63 3.20 0.26 0.53 2.88 -0.97 -4.89 113.62 115.27 1tpk n SER 27 Ca 0.13 1.19 0.12 0.00 -1.33 0.00 0.00 58.87 58.97 1tpk n SER 27 Cb 0.44 -1.52 0.71 0.00 -0.75 0.00 0.00 64.21 63.09 1tpk n SER 27 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1tpk h MET 28 N 3.42 0.00 0.00 -1.46 2.86 -1.95 -2.33 114.93 115.47 1tpk h MET 28 Ca -0.47 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.16 1tpk h MET 28 Cb 1.26 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.92 1tpk h MET 28 CO 0.69 0.12 -0.05 0.82 1.06 0.00 0.00 176.91 179.55 1tpk h ILE 29 N 0.00 0.59 -0.48 -1.22 2.04 -1.96 -3.04 117.51 113.44 1tpk h ILE 29 Ca -0.00 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1tpk h ILE 29 Cb 0.29 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1tpk h ILE 29 CO 0.02 0.04 0.03 0.18 0.00 0.00 0.00 178.15 178.42 1tpk n LEU 30 N -3.85 4.86 -4.69 1.44 4.77 -0.88 -4.90 117.00 113.77 1tpk n LEU 30 Ca -0.03 -2.48 -0.42 0.00 -0.03 0.00 0.00 56.01 53.05 1tpk n LEU 30 Cb 0.14 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 1tpk n LEU 30 CO 0.29 0.58 1.11 -0.63 -1.33 0.00 0.00 177.39 177.41 1tpk s ILE 31 N -2.42 3.71 0.00 -0.08 -1.09 -1.15 -2.08 121.20 118.09 1tpk s ILE 31 Ca 0.44 1.10 0.00 0.00 -2.23 0.00 0.00 60.65 59.96 1tpk s ILE 31 Cb 0.33 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.51 1tpk s ILE 31 CO 0.12 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.44 1tpk n GLY 32 N 3.63 1.23 3.83 6.18 0.00 -1.26 -5.09 105.19 113.71 1tpk n GLY 32 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1tpk n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tpk s LYS 33 N -0.04 3.77 -0.13 1.61 3.01 -0.88 -5.04 119.74 122.04 1tpk s LYS 33 Ca 0.00 1.05 -0.28 0.00 -1.01 0.00 0.00 55.97 55.73 1tpk s LYS 33 Cb 0.00 -2.11 -0.26 0.00 -1.01 0.00 0.00 37.83 34.45 1tpk s LYS 33 CO 0.00 -0.42 0.81 0.28 0.51 0.00 0.00 175.35 176.52 1tpk h VAL 34 N 0.85 1.76 -3.16 3.17 2.07 -1.99 -3.41 116.25 115.54 1tpk h VAL 34 Ca -0.47 -2.30 -0.74 0.00 0.82 0.00 0.00 66.70 64.01 1tpk h VAL 34 Cb 1.20 3.32 -0.22 0.00 -1.52 0.00 0.00 31.29 34.07 1tpk h VAL 34 CO 0.60 0.60 0.25 -0.31 0.02 0.00 0.00 177.57 178.73 1tpk s TYR 35 N -2.34 3.34 0.27 1.57 2.02 -1.26 -4.57 117.35 116.38 1tpk s TYR 35 Ca -0.18 -1.49 -0.01 0.00 -0.37 0.00 0.00 57.07 55.01 1tpk s TYR 35 Cb -0.02 -3.98 -0.02 0.00 -0.40 0.00 0.00 41.96 37.53 1tpk s TYR 35 CO 0.70 -1.20 0.29 0.95 -1.57 0.00 0.00 175.55 174.72 1tpk s THR 36 N 1.62 0.00 -0.34 -0.71 -4.23 -1.26 -5.01 115.64 105.71 1tpk s THR 36 Ca 0.18 -1.83 0.26 0.00 -1.18 0.00 0.00 61.69 59.12 1tpk s THR 36 Cb -0.15 -2.48 0.28 0.00 1.34 0.00 0.00 72.50 71.49 1tpk s THR 36 CO -0.04 0.00 1.78 0.00 -0.54 0.00 0.00 174.62 175.82 1tpk h ALA 37 N 2.35 1.00 0.00 3.99 0.00 -1.20 -2.88 119.26 122.51 1tpk h ALA 37 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1tpk h ALA 37 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1tpk h ALA 37 CO 0.43 0.00 -0.16 1.04 0.00 0.00 0.00 179.25 180.57 1tpk n GLN 38 N -2.45 0.09 -1.75 0.00 3.00 -1.26 -4.68 117.38 110.34 1tpk n GLN 38 Ca 0.02 0.06 -0.42 0.00 -0.01 0.00 0.00 57.00 56.65 1tpk n GLN 38 Cb 0.25 -1.59 -0.00 0.00 0.00 0.00 0.00 30.24 28.89 1tpk n GLN 38 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1tpk n ASN 39 N -1.75 3.41 0.33 1.08 2.85 -1.09 -4.89 115.26 115.20 1tpk n ASN 39 Ca 0.06 1.22 0.21 0.00 -0.11 0.00 0.00 54.58 55.96 1tpk n ASN 39 Cb 0.37 -1.57 1.15 0.00 1.24 0.00 0.00 39.78 40.97 1tpk n ASN 39 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1tpk h PRO 40 N 2.85 0.00 -0.32 1.20 0.13 -1.91 -2.05 132.00 131.89 1tpk h PRO 40 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1tpk h PRO 40 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1tpk h PRO 40 CO 0.64 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.84 1tpk n SER 41 N -3.00 4.11 -0.03 1.44 7.64 -1.26 -4.73 113.62 117.78 1tpk n SER 41 Ca -0.03 -2.94 0.07 0.00 1.01 0.00 0.00 58.87 56.98 1tpk n SER 41 Cb 0.09 -0.55 0.46 0.00 -1.01 0.00 0.00 64.21 63.20 1tpk n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tpk h ALA 42 N 2.16 1.83 0.12 -0.43 0.00 -1.64 -0.99 119.26 120.32 1tpk h ALA 42 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1tpk h ALA 42 Cb 1.48 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1tpk h ALA 42 CO 0.25 0.10 -0.06 0.37 0.00 0.00 0.00 179.25 179.91 1tpk h GLN 42 N 0.49 -0.16 0.00 0.00 4.15 -1.85 -0.41 115.11 117.34 1tpk h GLN 42 Ca 0.20 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.61 1tpk h GLN 42 Cb 0.19 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 1tpk h GLN 42 CO -0.05 0.00 -0.13 0.00 -1.93 0.00 0.00 178.83 176.71 1tpk h ALA 43 N 0.58 1.10 -0.22 3.38 0.00 -1.83 -2.47 119.26 119.80 1tpk h ALA 43 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1tpk h ALA 43 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1tpk h ALA 43 CO 0.03 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.72 1tpk n LEU 44 N -3.40 2.69 -0.60 0.00 4.77 -0.41 -4.95 117.00 115.10 1tpk n LEU 44 Ca -0.01 -1.08 -0.07 0.00 -0.03 0.00 0.00 56.01 54.82 1tpk n LEU 44 Cb 0.32 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1tpk n LEU 44 CO 0.30 0.54 -0.07 0.61 -1.33 0.00 0.00 177.39 177.44 1tpk n GLY 45 N 1.34 0.84 3.79 -0.72 0.00 -0.40 -4.70 105.19 105.33 1tpk n GLY 45 Ca 0.17 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 1tpk n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tpk s LEU 46 N -1.75 4.18 0.00 0.99 1.43 -0.30 -4.97 118.68 118.26 1tpk s LEU 46 Ca 0.00 0.33 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 1tpk s LEU 46 Cb 0.00 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1tpk s LEU 46 CO 0.00 0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.52 1tpk n GLY 47 N 2.53 1.79 2.43 -3.19 0.00 -1.26 -4.30 105.19 103.20 1tpk n GLY 47 Ca -0.19 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 1tpk n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tpk n LYS 47 N 0.00 3.46 -3.87 1.61 5.02 -1.26 -3.99 118.16 119.12 1tpk n LYS 47 Ca 0.00 -2.32 -0.07 0.00 -2.02 0.00 0.00 58.31 53.90 1tpk n LYS 47 Cb 0.00 -2.95 -0.02 0.00 -0.02 0.00 0.00 35.03 32.05 1tpk n LYS 47 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1tpk s HIS 48 N 2.47 -0.10 -0.28 2.13 -3.43 -1.26 -5.03 115.29 109.79 1tpk s HIS 48 Ca 0.63 -0.38 0.07 0.00 -0.80 0.00 0.00 55.06 54.59 1tpk s HIS 48 Cb 0.17 0.68 0.46 0.00 -1.43 0.00 0.00 32.58 32.45 1tpk s HIS 48 CO -0.07 -1.26 1.19 0.27 -2.00 0.00 0.00 174.74 172.87 1tpk n ASN 49 N -0.58 4.63 -4.85 7.38 6.94 -1.26 -1.02 115.26 126.51 1tpk n ASN 49 Ca -0.04 -3.75 -0.33 0.00 -0.02 0.00 0.00 54.58 50.44 1tpk n ASN 49 Cb 0.59 -0.36 -0.06 0.00 -2.36 0.00 0.00 39.78 37.60 1tpk n ASN 49 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1tpk s TYR 50 N -3.57 3.39 0.17 -2.53 2.02 -1.26 -4.48 117.35 111.08 1tpk s TYR 50 Ca 0.50 1.23 -0.31 0.00 -0.37 0.00 0.00 57.07 58.12 1tpk s TYR 50 Cb 0.41 -2.54 -0.09 0.00 -0.40 0.00 0.00 41.96 39.34 1tpk s TYR 50 CO 0.03 0.11 1.36 0.00 -1.57 0.00 0.00 175.55 175.48 1tpk s ARG 52 N 0.35 1.11 -0.63 0.00 1.81 -0.80 -4.73 118.95 116.07 1tpk s ARG 52 Ca 0.60 -1.50 0.04 0.00 -1.72 0.00 0.00 55.73 53.15 1tpk s ARG 52 Cb -0.37 -0.56 0.15 0.00 -0.45 0.00 0.00 34.95 33.72 1tpk s ARG 52 CO 0.35 0.01 0.40 1.21 -0.68 0.00 0.00 175.30 176.60 1tpk s ASN 53 N -3.19 4.65 0.05 0.23 3.84 -1.25 -0.45 114.94 118.82 1tpk s ASN 53 Ca 0.20 -3.47 0.27 0.00 0.21 0.00 0.00 52.86 50.07 1tpk s ASN 53 Cb 0.04 -1.65 1.11 0.00 -0.55 0.00 0.00 41.25 40.20 1tpk s ASN 53 CO 0.02 -0.16 1.86 -0.81 -2.79 0.00 0.00 177.10 175.23 1tpk n PRO 54 N 2.50 0.05 -0.11 0.43 -0.04 -1.26 -4.33 135.00 132.25 1tpk n PRO 54 Ca 0.13 0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.73 1tpk n PRO 54 Cb 0.34 -1.57 0.10 0.00 -0.04 0.00 0.00 33.50 32.33 1tpk n PRO 54 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1tpk n ASP 55 N -1.66 1.95 -2.08 3.54 5.68 -1.26 -5.01 116.55 117.71 1tpk n ASP 55 Ca 0.06 -2.72 -0.13 0.00 -0.50 0.00 0.00 54.79 51.51 1tpk n ASP 55 Cb 0.34 -0.32 0.04 0.00 -1.14 0.00 0.00 41.12 40.04 1tpk n ASP 55 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1tpk n GLY 56 N -1.07 0.13 3.03 6.12 0.00 -1.26 -5.04 105.19 107.09 1tpk n GLY 56 Ca 0.11 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 1tpk n GLY 56 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tpk n ASP 57 N -0.85 0.87 -0.19 1.61 -0.08 -1.26 -5.02 116.55 111.62 1tpk n ASP 57 Ca -0.01 -1.79 -0.07 0.00 -1.51 0.00 0.00 54.79 51.42 1tpk n ASP 57 Cb 0.54 -0.56 0.03 0.00 2.34 0.00 0.00 41.12 43.47 1tpk n ASP 57 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1tpk h ALA 58 N -0.82 0.70 -2.92 -1.67 0.00 -1.96 -3.46 119.26 109.13 1tpk h ALA 58 Ca -0.27 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.42 1tpk h ALA 58 Cb 0.95 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 1tpk h ALA 58 CO 0.27 0.15 -0.08 -1.59 0.00 0.00 0.00 179.25 178.01 1tpk s LYS 60 N -6.12 1.91 0.25 0.00 -2.85 -1.24 -4.48 119.74 107.21 1tpk s LYS 60 Ca -0.13 -1.59 -0.29 0.00 -1.00 0.00 0.00 55.97 52.96 1tpk s LYS 60 Cb 0.13 0.49 -0.15 0.00 -2.06 0.00 0.00 37.83 36.23 1tpk s LYS 60 CO 0.75 -0.82 0.89 -2.30 0.10 0.00 0.00 175.35 173.97 1tpk n PRO 61 N -0.52 0.95 -4.19 1.78 -0.02 -1.23 -4.73 135.00 127.05 1tpk n PRO 61 Ca -0.02 0.33 -0.13 0.00 -2.02 0.00 0.00 63.50 61.67 1tpk n PRO 61 Cb 0.61 -1.61 -0.09 0.00 -0.02 0.00 0.00 33.50 32.39 1tpk n PRO 61 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1tpk s TRP 62 N -0.96 1.17 0.15 6.00 1.48 0.41 -0.84 118.94 126.34 1tpk s TRP 62 Ca 0.62 -1.35 -0.15 0.00 -1.06 0.00 0.00 56.10 54.15 1tpk s TRP 62 Cb -0.78 -0.48 0.02 0.00 -1.16 0.00 0.00 33.47 31.07 1tpk s TRP 62 CO 0.58 -0.74 0.41 0.00 -4.06 0.00 0.00 176.95 173.14 1tpk s HIS 64 N -3.85 3.77 0.06 0.00 3.76 -1.26 -1.95 115.29 115.81 1tpk s HIS 64 Ca 0.07 1.82 -0.00 0.00 -0.15 0.00 0.00 55.06 56.79 1tpk s HIS 64 Cb 0.01 -3.05 -0.04 0.00 1.11 0.00 0.00 32.58 30.62 1tpk s HIS 64 CO -0.08 0.08 -0.04 0.14 -0.85 0.00 0.00 174.74 174.00 1tpk s VAL 65 N -1.32 0.34 -0.39 -0.90 -7.23 -0.91 -0.49 120.40 109.51 1tpk s VAL 65 Ca 0.45 -1.73 -0.18 0.00 -1.81 0.00 0.00 61.98 58.72 1tpk s VAL 65 Cb -0.25 -1.40 0.01 0.00 0.56 0.00 0.00 36.38 35.29 1tpk s VAL 65 CO 0.32 -0.90 0.51 -0.76 -0.31 0.00 0.00 175.10 173.96 1tpk s LEU 66 N -2.76 4.53 -0.99 1.32 2.01 -1.26 -1.31 118.68 120.22 1tpk s LEU 66 Ca 0.05 -0.29 -0.14 0.00 0.01 0.00 0.00 54.13 53.76 1tpk s LEU 66 Cb 0.05 -2.54 0.19 0.00 0.01 0.00 0.00 46.19 43.90 1tpk s LEU 66 CO -0.07 -0.56 1.08 -0.54 1.01 0.00 0.00 176.35 177.26 1tpk s LYS 67 N 2.38 3.82 -0.24 1.70 -0.14 -0.78 -4.75 119.74 121.73 1tpk s LYS 67 Ca 0.17 -2.42 -0.00 0.00 -1.36 0.00 0.00 55.97 52.36 1tpk s LYS 67 Cb -0.16 -4.73 0.00 0.00 -1.68 0.00 0.00 37.83 31.26 1tpk s LYS 67 CO 0.14 -1.52 0.01 -1.71 -0.76 0.00 0.00 175.35 171.51 1tpk n ASN 68 N 4.85 -7.73 0.00 2.83 5.15 -1.26 -3.33 115.26 115.77 1tpk n ASN 68 Ca 0.23 1.20 0.00 0.00 -0.60 0.00 0.00 54.58 55.42 1tpk n ASN 68 Cb 0.45 -4.52 0.00 0.00 -0.53 0.00 0.00 39.78 35.19 1tpk n ASN 68 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1tpk n ARG 69 N 0.83 0.00 -3.65 1.20 1.74 -1.26 -4.92 116.66 110.59 1tpk n ARG 69 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 1tpk n ARG 69 Cb 0.12 -3.22 -0.11 0.00 -1.02 0.00 0.00 32.46 28.22 1tpk n ARG 69 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1tpk s ARG 70 N 0.00 3.91 -0.29 5.56 3.52 -1.21 -5.05 118.95 125.39 1tpk s ARG 70 Ca 0.00 -0.35 -0.29 0.00 -0.13 0.00 0.00 55.73 54.96 1tpk s ARG 70 Cb 0.00 -3.55 0.01 0.00 -1.56 0.00 0.00 34.95 29.85 1tpk s ARG 70 CO 0.00 -0.13 1.16 -1.17 -0.81 0.00 0.00 175.30 174.36 1tpk s LEU 70 N 1.56 3.96 0.00 -0.88 2.96 -1.26 -1.87 118.68 123.15 1tpk s LEU 70 Ca 0.07 1.20 0.00 0.00 -0.22 0.00 0.00 54.13 55.17 1tpk s LEU 70 Cb -0.15 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1tpk s LEU 70 CO 0.08 -0.91 0.00 1.07 -1.32 0.00 0.00 176.35 175.27 1tpk n THR 71 N 5.87 0.00 -3.88 3.68 5.66 -0.43 -5.00 114.28 120.19 1tpk n THR 71 Ca 0.13 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.04 1tpk n THR 71 Cb 0.47 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.18 1tpk n THR 71 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 1tpk s TRP 72 N 0.43 0.21 0.08 1.09 1.48 -1.26 -2.14 118.94 118.84 1tpk s TRP 72 Ca 0.00 -0.58 -0.21 0.00 -1.06 0.00 0.00 56.10 54.25 1tpk s TRP 72 Cb 0.00 0.06 0.05 0.00 -1.16 0.00 0.00 33.47 32.43 1tpk s TRP 72 CO 0.00 -0.74 0.51 -1.21 -4.06 0.00 0.00 176.95 171.45 1tpk s GLU 73 N -3.92 1.08 0.54 3.25 2.02 -0.83 -4.81 118.70 116.04 1tpk s GLU 73 Ca 0.13 -0.36 -0.18 0.00 0.02 0.00 0.00 54.97 54.57 1tpk s GLU 73 Cb 0.02 0.49 -0.06 0.00 0.10 0.00 0.00 34.13 34.69 1tpk s GLU 73 CO -0.03 -0.41 1.07 0.71 0.02 0.00 0.00 175.26 176.62 1tpk s TYR 74 N -2.92 2.90 0.10 1.61 2.02 -1.26 -2.01 117.35 117.79 1tpk s TYR 74 Ca -0.03 1.55 0.01 0.00 -0.37 0.00 0.00 57.07 58.24 1tpk s TYR 74 Cb -0.00 -3.10 -0.04 0.00 -0.40 0.00 0.00 41.96 38.42 1tpk s TYR 74 CO -0.06 -1.14 0.23 0.00 -1.57 0.00 0.00 175.55 173.02 1tpk n ASP 76 N -0.09 7.81 -4.75 0.00 5.75 -1.22 -4.74 116.55 119.30 1tpk n ASP 76 Ca -0.06 -3.08 -0.40 0.00 -0.01 0.00 0.00 54.79 51.23 1tpk n ASP 76 Cb 0.52 -1.36 -0.05 0.00 -1.03 0.00 0.00 41.12 39.20 1tpk n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1tpk s VAL 77 N -0.97 3.79 0.19 2.12 1.01 -1.26 -5.00 120.40 120.29 1tpk s VAL 77 Ca 0.57 1.81 -0.30 0.00 0.00 0.00 0.00 61.98 64.06 1tpk s VAL 77 Cb 0.22 -4.15 -0.08 0.00 0.00 0.00 0.00 36.38 32.37 1tpk s VAL 77 CO -0.11 0.43 1.02 -2.16 0.00 0.00 0.00 175.10 174.28 1tpk s PRO 78 N -1.31 4.71 0.59 2.72 0.04 -1.26 -4.86 135.00 135.62 1tpk s PRO 78 Ca 0.43 1.59 -0.16 0.00 0.04 0.00 0.00 61.00 62.90 1tpk s PRO 78 Cb -0.29 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 1tpk s PRO 78 CO 0.36 0.26 1.06 0.45 0.04 0.00 0.00 177.00 179.18 1tpk s SER 79 N -0.50 5.76 0.00 6.66 0.15 -1.26 -1.50 113.70 123.01 1tpk s SER 79 Ca 0.46 1.85 0.19 0.00 0.70 0.00 0.00 55.95 59.15 1tpk s SER 79 Cb -0.27 -2.54 0.81 0.00 -1.71 0.00 0.00 66.02 62.31 1tpk s SER 79 CO 0.33 -1.18 1.60 0.00 1.20 0.00 0.00 173.24 175.20 1tpk s SER 81 N -2.98 1.04 0.00 0.00 0.01 -1.26 -5.08 113.70 105.43 1tpk s SER 81 Ca 0.10 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1tpk s SER 81 Cb 0.12 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.02 1tpk s SER 81 CO 0.34 -0.15 0.00 0.41 0.41 0.00 0.00 173.24 174.25