#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tpk h ASN -2 N 0.00 -1.22 -5.73 1.61 -0.00 -1.95 -1.90 115.58 106.39 1tpk h ASN -2 Ca 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 56.30 56.43 1tpk h ASN -2 Cb 0.00 0.45 -0.02 0.00 -0.00 0.00 0.00 38.32 38.75 1tpk h ASN -2 CO 0.00 -0.42 -0.31 -1.20 -0.00 0.00 0.00 177.43 175.50 1tpk n SER -1 N -4.73 -5.70 0.02 1.15 7.64 -1.26 -3.21 113.62 107.53 1tpk n SER -1 Ca -0.06 1.06 0.11 0.00 1.01 0.00 0.00 58.87 60.98 1tpk n SER -1 Cb 0.31 -2.29 0.47 0.00 -1.01 0.00 0.00 64.21 61.69 1tpk n SER -1 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1tpk n ASP 0 N 2.33 0.10 -3.53 6.43 8.00 -1.26 -4.76 116.55 123.85 1tpk n ASP 0 Ca -0.08 0.52 -0.09 0.00 0.71 0.00 0.00 54.79 55.85 1tpk n ASP 0 Cb 0.12 -0.54 -0.02 0.00 -0.02 0.00 0.00 41.12 40.66 1tpk n ASP 0 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1tpk s TYR 2 N -3.46 2.78 0.20 0.00 1.13 -0.66 -4.77 117.35 112.57 1tpk s TYR 2 Ca 0.05 -0.13 -0.03 0.00 -1.41 0.00 0.00 57.07 55.54 1tpk s TYR 2 Cb -0.02 -1.45 -0.05 0.00 -1.10 0.00 0.00 41.96 39.34 1tpk s TYR 2 CO -0.08 0.44 0.42 -0.06 -2.51 0.00 0.00 175.55 173.76 1tpk s PHE 3 N -1.23 3.48 0.00 -3.49 0.08 -1.26 -1.40 117.98 114.15 1tpk s PHE 3 Ca 0.22 0.51 0.00 0.00 0.12 0.00 0.00 56.93 57.78 1tpk s PHE 3 Cb -0.11 -1.98 0.00 0.00 -0.57 0.00 0.00 43.02 40.36 1tpk s PHE 3 CO 0.15 0.35 0.00 0.41 -0.10 0.00 0.00 175.22 176.03 1tpk n GLY 4 N -0.40 2.74 1.30 4.36 0.00 -1.26 -1.53 105.19 110.40 1tpk n GLY 4 Ca -0.03 -0.29 0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 4.87 4.06 0.00 1.61 6.94 -1.26 -4.95 115.26 126.53 1tpk n ASN 5 Ca 0.00 -2.19 0.00 0.00 -0.02 0.00 0.00 54.58 52.37 1tpk n ASN 5 Cb 0.00 -0.48 0.00 0.00 -2.36 0.00 0.00 39.78 36.94 1tpk n ASN 5 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1tpk n GLY 6 N 1.21 0.42 0.21 4.83 0.00 -0.58 -3.18 105.19 108.11 1tpk n GLY 6 Ca 0.23 -1.01 0.09 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 0.00 0.45 1.61 4.64 -1.79 -2.84 113.55 115.63 1tpk h SER 7 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1tpk h SER 7 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1tpk h SER 7 CO 0.00 0.26 -0.40 0.00 -0.87 0.00 0.00 176.83 175.82 1tpk n ALA 8 N -2.22 3.34 -1.86 5.18 0.00 -1.26 -4.81 120.51 118.87 1tpk n ALA 8 Ca 0.01 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 1tpk n ALA 8 Cb 0.48 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 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 -2.85 2.96 -0.28 0.00 5.04 -1.07 -4.93 117.35 116.21 1tpk s TYR 9 Ca 0.15 0.50 0.20 0.00 -2.44 0.00 0.00 57.07 55.48 1tpk s TYR 9 Cb 0.18 -4.00 0.49 0.00 0.35 0.00 0.00 41.96 38.98 1tpk s TYR 9 CO 0.64 -3.77 1.08 0.54 -1.34 0.00 0.00 175.55 172.70 1tpk n ARG 10 N 4.10 1.85 -2.28 4.97 5.12 -1.26 -4.81 116.66 124.36 1tpk n ARG 10 Ca 0.15 -3.56 -0.26 0.00 -1.93 0.00 0.00 57.85 52.25 1tpk n ARG 10 Cb 0.37 -1.62 0.13 0.00 -1.16 0.00 0.00 32.46 30.19 1tpk n ARG 10 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1tpk s GLY 11 N -3.63 1.76 -0.23 -0.13 0.00 -1.26 -2.09 107.32 101.74 1tpk s GLY 11 Ca 0.30 -1.41 0.14 0.00 0.00 0.00 0.00 44.72 43.76 1tpk s GLY 11 CO -0.02 -0.79 1.55 -1.30 0.00 0.00 0.00 173.10 172.54 1tpk n THR 12 N -3.20 2.52 -2.13 0.90 -2.24 -0.71 -4.54 114.28 104.88 1tpk n THR 12 Ca 0.14 -1.89 -0.34 0.00 -2.27 0.00 0.00 64.05 59.69 1tpk n THR 12 Cb 0.60 -0.29 0.01 0.00 -2.10 0.00 0.00 70.33 68.55 1tpk n THR 12 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1tpk s HIS 13 N -2.92 2.74 0.00 4.78 3.76 -1.26 -4.85 115.29 117.54 1tpk s HIS 13 Ca 0.47 1.55 0.00 0.00 -0.15 0.00 0.00 55.06 56.92 1tpk s HIS 13 Cb 0.38 -3.19 0.00 0.00 1.11 0.00 0.00 32.58 30.88 1tpk s HIS 13 CO 0.09 -1.45 0.46 -1.13 -0.85 0.00 0.00 174.74 171.86 1tpk n SER 14 N -1.66 0.00 -4.63 1.40 3.41 -1.26 -0.76 113.62 110.12 1tpk n SER 14 Ca 0.11 -1.04 -0.32 0.00 -0.26 0.00 0.00 58.87 57.35 1tpk n SER 14 Cb 0.52 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.00 3.31 0.00 1.04 1.43 -1.26 -1.39 118.68 121.81 1tpk s LEU 15 Ca 0.00 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1tpk s LEU 15 Cb 0.00 -1.92 0.08 0.00 0.03 0.00 0.00 46.19 44.38 1tpk s LEU 15 CO 0.00 0.27 0.51 0.35 0.23 0.00 0.00 176.35 177.71 1tpk n THR 16 N 1.39 0.00 0.08 5.49 -2.24 0.16 -2.09 114.28 117.06 1tpk n THR 16 Ca -0.15 -0.68 -0.01 0.00 -2.27 0.00 0.00 64.05 60.94 1tpk n THR 16 Cb 0.53 -1.28 0.28 0.00 -2.10 0.00 0.00 70.33 67.75 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 0.31 -0.30 -0.78 5.08 -1.54 -2.84 114.58 114.51 1tpk h GLU 17 Ca -0.17 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1tpk h GLU 17 Cb 0.57 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1tpk h GLU 17 CO 0.16 0.54 0.00 -1.13 -1.00 0.00 0.00 179.01 177.58 1tpk n SER 18 N -4.15 1.01 0.00 1.42 3.41 -1.26 -4.86 113.62 109.19 1tpk n SER 18 Ca -0.01 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 1tpk n SER 18 Cb 0.37 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 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 0.62 0.75 3.88 5.00 0.00 -1.07 -5.04 105.19 109.34 1tpk n GLY 19 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.75 3.22 -0.19 4.61 0.00 -1.26 -4.73 121.76 120.66 1tpk s ALA 20 Ca 0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 51.96 51.64 1tpk s ALA 20 Cb 0.00 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1tpk s ALA 20 CO 0.00 -0.55 0.06 0.45 0.00 0.00 0.00 175.76 175.72 1tpk s SER 21 N -4.14 5.54 0.36 0.00 0.15 -1.26 0.40 113.70 114.75 1tpk s SER 21 Ca 0.52 0.04 -0.28 0.00 0.70 0.00 0.00 55.95 56.93 1tpk s SER 21 Cb -0.11 -1.95 -0.12 0.00 -1.71 0.00 0.00 66.02 62.13 1tpk s SER 21 CO 0.50 0.15 1.36 0.00 1.20 0.00 0.00 173.24 176.45 1tpk s LEU 23 N -1.45 3.41 0.37 0.00 1.43 0.60 -4.88 118.68 118.16 1tpk s LEU 23 Ca 0.55 1.68 -0.26 0.00 -1.03 0.00 0.00 54.13 55.07 1tpk s LEU 23 Cb -0.53 -4.51 -0.09 0.00 0.03 0.00 0.00 46.19 41.09 1tpk s LEU 23 CO 0.63 -1.08 1.14 -2.84 0.23 0.00 0.00 176.35 174.42 1tpk s PRO 24 N -4.41 4.23 0.56 1.29 0.02 -1.26 -4.56 135.00 130.87 1tpk s PRO 24 Ca 0.60 1.79 0.35 0.00 0.02 0.00 0.00 61.00 63.76 1tpk s PRO 24 Cb -0.14 -2.79 1.49 0.00 0.02 0.00 0.00 34.50 33.08 1tpk s PRO 24 CO 0.42 -0.15 2.03 -1.49 -0.33 0.00 0.00 177.00 177.48 1tpk h TRP 25 N 2.93 0.00 -0.63 6.54 4.06 -1.48 -1.69 115.95 125.68 1tpk h TRP 25 Ca -0.48 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.47 1tpk h TRP 25 Cb 1.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.38 1tpk h TRP 25 CO 0.57 0.00 0.00 0.27 -3.56 0.00 0.00 178.44 175.72 1tpk n ASN 26 N -3.09 3.75 -4.77 -3.49 6.94 -1.25 -1.93 115.26 111.43 1tpk n ASN 26 Ca 0.00 -2.13 -0.40 0.00 -0.02 0.00 0.00 54.58 52.04 1tpk n ASN 26 Cb 0.28 -0.47 -0.03 0.00 -2.36 0.00 0.00 39.78 37.20 1tpk n ASN 26 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1tpk s SER 27 N -0.95 6.94 0.49 0.53 0.15 -0.64 -4.93 113.70 115.30 1tpk s SER 27 Ca 0.44 2.40 0.32 0.00 0.70 0.00 0.00 55.95 59.81 1tpk s SER 27 Cb 0.25 -2.63 1.37 0.00 -1.71 0.00 0.00 66.02 63.29 1tpk s SER 27 CO 0.27 -0.39 1.95 0.24 1.20 0.00 0.00 173.24 176.51 1tpk h MET 28 N 3.37 0.00 0.00 5.44 2.86 -1.92 -2.28 114.93 122.41 1tpk h MET 28 Ca -0.48 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.13 1tpk h MET 28 Cb 1.22 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.88 1tpk h MET 28 CO 0.65 0.00 -0.15 0.82 1.06 0.00 0.00 176.91 179.29 1tpk h ILE 29 N 0.00 0.85 -0.15 -1.22 2.04 -1.95 -2.87 117.51 114.22 1tpk h ILE 29 Ca 0.00 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1tpk h ILE 29 Cb 0.43 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1tpk h ILE 29 CO 0.00 0.15 0.00 0.18 0.00 0.00 0.00 178.15 178.48 1tpk n LEU 30 N -3.98 1.24 -4.68 1.44 4.77 -0.86 -4.90 117.00 110.03 1tpk n LEU 30 Ca -0.02 -0.54 -0.44 0.00 -0.03 0.00 0.00 56.01 54.98 1tpk n LEU 30 Cb 0.24 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1tpk n LEU 30 CO 0.33 0.27 1.46 -0.38 -1.33 0.00 0.00 177.39 177.74 1tpk n ILE 31 N 0.06 0.41 0.00 -0.08 2.08 -1.09 -1.74 119.36 119.00 1tpk n ILE 31 Ca 0.14 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.38 1tpk n ILE 31 Cb 0.25 -2.04 0.00 0.00 -0.75 0.00 0.00 39.64 37.10 1tpk n ILE 31 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1tpk n GLY 32 N 4.21 1.23 3.87 7.39 0.00 -1.26 -5.09 105.19 115.54 1tpk n GLY 32 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.91 3.75 -0.05 1.61 -0.14 -0.71 -5.03 119.74 118.26 1tpk s LYS 33 Ca 0.00 0.59 -0.13 0.00 -1.36 0.00 0.00 55.97 55.07 1tpk s LYS 33 Cb 0.00 -2.28 -0.31 0.00 -1.68 0.00 0.00 37.83 33.56 1tpk s LYS 33 CO 0.00 -0.21 0.70 0.28 -0.76 0.00 0.00 175.35 175.36 1tpk h VAL 34 N 0.67 1.02 -3.62 3.17 2.07 -1.99 -3.40 116.25 114.17 1tpk h VAL 34 Ca -0.46 -2.52 -0.79 0.00 0.82 0.00 0.00 66.70 63.74 1tpk h VAL 34 Cb 1.19 2.81 -0.27 0.00 -1.52 0.00 0.00 31.29 33.50 1tpk h VAL 34 CO 0.63 0.82 0.35 -0.31 0.02 0.00 0.00 177.57 179.08 1tpk s TYR 35 N -2.56 4.06 0.43 1.57 2.02 -1.26 -4.51 117.35 117.11 1tpk s TYR 35 Ca -0.16 -2.42 0.03 0.00 -0.37 0.00 0.00 57.07 54.16 1tpk s TYR 35 Cb 0.05 -3.85 -0.02 0.00 -0.40 0.00 0.00 41.96 37.74 1tpk s TYR 35 CO 0.85 -0.98 0.10 0.95 -1.57 0.00 0.00 175.55 174.90 1tpk s THR 36 N -0.65 0.74 -0.42 -0.71 -4.23 -1.26 -4.96 115.64 104.15 1tpk s THR 36 Ca 0.26 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.03 1tpk s THR 36 Cb -0.10 -2.31 0.29 0.00 1.34 0.00 0.00 72.50 71.72 1tpk s THR 36 CO -0.08 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 175.77 1tpk h ALA 37 N 1.69 1.00 -0.03 3.99 0.00 -1.60 -2.69 119.26 121.60 1tpk h ALA 37 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1tpk h ALA 37 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1tpk h ALA 37 CO 0.61 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.90 1tpk n GLN 38 N -2.46 1.50 -1.70 0.00 6.02 -1.26 -4.72 117.38 114.75 1tpk n GLN 38 Ca 0.03 -0.73 -0.44 0.00 -0.01 0.00 0.00 57.00 55.85 1tpk n GLN 38 Cb 0.31 -1.46 -0.02 0.00 1.02 0.00 0.00 30.24 30.09 1tpk n GLN 38 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1tpk n ASN 39 N -0.10 3.14 0.19 1.08 2.85 -1.02 -4.88 115.26 116.53 1tpk n ASN 39 Ca 0.19 1.15 0.14 0.00 -0.11 0.00 0.00 54.58 55.95 1tpk n ASN 39 Cb 0.28 -1.49 0.60 0.00 1.24 0.00 0.00 39.78 40.41 1tpk n ASN 39 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1tpk h PRO 40 N 4.32 0.00 -0.67 1.20 0.11 -1.90 -0.13 132.00 134.93 1tpk h PRO 40 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1tpk h PRO 40 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1tpk h PRO 40 CO 0.76 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.98 1tpk n SER 41 N -2.58 3.76 -0.28 -2.05 7.64 -1.26 -4.73 113.62 114.12 1tpk n SER 41 Ca 0.01 -2.08 0.02 0.00 1.01 0.00 0.00 58.87 57.83 1tpk n SER 41 Cb 0.24 -0.47 0.09 0.00 -1.01 0.00 0.00 64.21 63.06 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 4.20 0.46 0.12 -0.43 0.00 -1.30 -1.39 119.26 120.91 1tpk h ALA 42 Ca 0.00 0.30 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1tpk h ALA 42 Cb 0.99 0.65 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 1tpk h ALA 42 CO 0.04 -0.44 -0.50 1.96 0.00 0.00 0.00 179.25 180.31 1tpk h GLN 42 N -0.02 -0.70 -0.82 0.00 4.20 -1.83 0.76 115.11 116.70 1tpk h GLN 42 Ca 0.37 0.05 0.17 0.00 0.06 0.00 0.00 58.65 59.29 1tpk h GLN 42 Cb 0.58 0.16 -0.10 0.00 0.30 0.00 0.00 27.48 28.42 1tpk h GLN 42 CO -0.82 -0.46 0.36 0.00 -0.67 0.00 0.00 178.83 177.24 1tpk h ALA 43 N -0.61 1.23 -0.00 3.87 0.00 -1.78 -1.26 119.26 120.72 1tpk h ALA 43 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1tpk h ALA 43 Cb 0.72 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1tpk h ALA 43 CO -0.27 -0.22 -0.13 1.28 0.00 0.00 0.00 179.25 179.91 1tpk n LEU 44 N -4.98 0.13 -0.24 0.00 4.77 -0.58 -4.95 117.00 111.14 1tpk n LEU 44 Ca 0.17 0.37 -0.03 0.00 -0.03 0.00 0.00 56.01 56.49 1tpk n LEU 44 Cb 0.49 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1tpk n LEU 44 CO 0.17 0.03 -0.03 0.61 -1.33 0.00 0.00 177.39 176.84 1tpk n GLY 45 N 1.50 0.62 3.48 -0.72 0.00 0.17 -4.79 105.19 105.45 1tpk n GLY 45 Ca 0.07 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.72 4.70 0.00 0.99 1.43 -0.65 -4.97 118.68 119.46 1tpk s LEU 46 Ca 0.00 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1tpk s LEU 46 Cb 0.00 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.64 1tpk s LEU 46 CO 0.00 -0.94 0.00 0.61 0.23 0.00 0.00 176.35 176.25 1tpk n GLY 47 N 5.13 5.36 2.47 -3.19 0.00 -1.26 -4.45 105.19 109.25 1tpk n GLY 47 Ca -0.04 -1.26 -0.38 0.00 0.00 0.00 0.00 46.02 44.34 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 3.28 -3.83 1.61 5.02 -1.26 -3.75 118.16 119.23 1tpk n LYS 47 Ca 0.00 -2.22 -0.07 0.00 -2.02 0.00 0.00 58.31 54.00 1tpk n LYS 47 Cb 0.00 -2.89 0.03 0.00 -0.02 0.00 0.00 35.03 32.15 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 2.63 0.13 -0.22 2.13 -3.43 -1.26 -5.05 115.29 110.22 1tpk s HIS 48 Ca 0.61 -0.74 0.12 0.00 -0.80 0.00 0.00 55.06 54.25 1tpk s HIS 48 Cb 0.16 0.81 0.44 0.00 -1.43 0.00 0.00 32.58 32.57 1tpk s HIS 48 CO -0.06 -1.41 1.20 0.27 -2.00 0.00 0.00 174.74 172.74 1tpk n ASN 49 N -1.43 2.82 -4.82 7.38 6.94 -1.26 -1.82 115.26 123.07 1tpk n ASN 49 Ca -0.07 -3.52 -0.35 0.00 -0.02 0.00 0.00 54.58 50.62 1tpk n ASN 49 Cb 0.60 -0.43 -0.06 0.00 -2.36 0.00 0.00 39.78 37.52 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 -3.11 3.53 0.05 -2.53 2.02 -1.26 -4.62 117.35 111.43 1tpk s TYR 50 Ca 0.42 1.40 -0.32 0.00 -0.37 0.00 0.00 57.07 58.19 1tpk s TYR 50 Cb 0.38 -2.65 -0.11 0.00 -0.40 0.00 0.00 41.96 39.19 1tpk s TYR 50 CO -0.04 0.20 1.87 0.00 -1.57 0.00 0.00 175.55 176.02 1tpk s ARG 52 N 3.45 0.94 -0.67 0.00 1.81 -0.99 -4.65 118.95 118.83 1tpk s ARG 52 Ca 0.86 -1.16 0.04 0.00 -1.72 0.00 0.00 55.73 53.76 1tpk s ARG 52 Cb -0.53 -0.80 0.16 0.00 -0.45 0.00 0.00 34.95 33.33 1tpk s ARG 52 CO 0.42 0.15 0.46 1.21 -0.68 0.00 0.00 175.30 176.86 1tpk s ASN 53 N -2.30 4.79 0.00 0.23 2.47 -1.25 -0.63 114.94 118.24 1tpk s ASN 53 Ca 0.06 -3.64 0.29 0.00 0.42 0.00 0.00 52.86 49.99 1tpk s ASN 53 Cb -0.05 -1.66 1.29 0.00 -1.45 0.00 0.00 41.25 39.37 1tpk s ASN 53 CO 0.02 -0.13 1.88 -0.81 -3.72 0.00 0.00 177.10 174.35 1tpk n PRO 54 N 2.28 1.09 -0.46 0.43 -0.04 -1.26 -4.36 135.00 132.68 1tpk n PRO 54 Ca 0.16 -0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.19 1tpk n PRO 54 Cb 0.34 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.32 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 -0.57 0.09 -3.02 3.54 5.75 -1.26 -5.00 116.55 116.07 1tpk n ASP 55 Ca 0.18 -1.99 -0.21 0.00 -0.01 0.00 0.00 54.79 52.76 1tpk n ASP 55 Cb 0.27 -0.20 0.05 0.00 -1.03 0.00 0.00 41.12 40.22 1tpk n ASP 55 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tpk n GLY 56 N -0.05 -0.40 0.35 6.12 0.00 -1.26 -5.02 105.19 104.93 1tpk n GLY 56 Ca 0.01 0.11 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.34 -0.28 0.21 1.61 -0.08 -1.26 -4.94 116.55 109.46 1tpk n ASP 57 Ca -0.04 -0.92 0.07 0.00 -1.51 0.00 0.00 54.79 52.38 1tpk n ASP 57 Cb 0.58 -0.10 0.43 0.00 2.34 0.00 0.00 41.12 44.38 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 -2.00 1.15 -1.65 -1.67 0.00 -1.95 -3.46 119.26 109.67 1tpk h ALA 58 Ca -0.04 -0.28 0.28 0.00 0.00 0.00 0.00 54.91 54.86 1tpk h ALA 58 Cb 0.11 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 17.73 1tpk h ALA 58 CO 0.03 0.39 0.75 -1.59 0.00 0.00 0.00 179.25 178.83 1tpk s LYS 60 N -3.87 0.55 0.29 0.00 -2.85 -1.19 -4.58 119.74 108.08 1tpk s LYS 60 Ca -0.01 -0.29 -0.29 0.00 -1.00 0.00 0.00 55.97 54.38 1tpk s LYS 60 Cb 0.12 0.20 -0.13 0.00 -2.06 0.00 0.00 37.83 35.96 1tpk s LYS 60 CO 0.67 -0.25 1.23 -2.30 0.10 0.00 0.00 175.35 174.80 1tpk n PRO 61 N -0.41 1.80 -4.37 1.78 -0.02 -1.25 -4.74 135.00 127.80 1tpk n PRO 61 Ca -0.07 0.64 -0.22 0.00 -2.02 0.00 0.00 63.50 61.83 1tpk n PRO 61 Cb 0.62 -2.17 -0.08 0.00 -0.02 0.00 0.00 33.50 31.85 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 -0.73 1.77 0.09 6.00 1.48 0.20 -0.17 118.94 127.58 1tpk s TRP 62 Ca 0.61 -1.56 -0.18 0.00 -1.06 0.00 0.00 56.10 53.92 1tpk s TRP 62 Cb -0.65 -0.86 0.04 0.00 -1.16 0.00 0.00 33.47 30.83 1tpk s TRP 62 CO 0.57 -0.70 0.42 0.00 -4.06 0.00 0.00 176.95 173.19 1tpk s HIS 64 N -3.15 3.00 0.05 0.00 3.76 -1.26 -1.92 115.29 115.76 1tpk s HIS 64 Ca -0.01 1.48 -0.00 0.00 -0.15 0.00 0.00 55.06 56.38 1tpk s HIS 64 Cb 0.01 -3.55 -0.03 0.00 1.11 0.00 0.00 32.58 30.12 1tpk s HIS 64 CO -0.07 -1.67 -0.04 0.14 -0.85 0.00 0.00 174.74 172.25 1tpk s VAL 65 N -1.29 0.27 -0.27 -0.90 -7.23 -0.95 -0.29 120.40 109.74 1tpk s VAL 65 Ca 0.55 -1.49 -0.11 0.00 -1.81 0.00 0.00 61.98 59.12 1tpk s VAL 65 Cb -0.35 -1.08 -0.05 0.00 0.56 0.00 0.00 36.38 35.46 1tpk s VAL 65 CO 0.45 -0.78 0.17 -0.76 -0.31 0.00 0.00 175.10 173.88 1tpk s LEU 66 N -2.38 4.02 -0.30 1.32 1.43 -1.26 -1.69 118.68 119.82 1tpk s LEU 66 Ca -0.01 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 1tpk s LEU 66 Cb 0.01 -2.10 0.08 0.00 0.03 0.00 0.00 46.19 44.20 1tpk s LEU 66 CO -0.06 -0.02 -0.03 -0.54 0.23 0.00 0.00 176.35 175.94 1tpk s LYS 67 N 1.55 1.96 -1.16 1.70 1.02 -0.17 -4.72 119.74 119.91 1tpk s LYS 67 Ca 0.07 -1.56 -0.08 0.00 0.02 0.00 0.00 55.97 54.42 1tpk s LYS 67 Cb -0.15 -3.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.08 1tpk s LYS 67 CO 0.09 -0.73 0.83 0.09 -0.92 0.00 0.00 175.35 174.71 1tpk n ASN 68 N 4.38 -4.35 -1.59 2.83 3.02 -1.26 -2.83 115.26 115.46 1tpk n ASN 68 Ca -0.07 -0.82 -0.14 0.00 -0.03 0.00 0.00 54.58 53.52 1tpk n ASN 68 Cb 0.42 -4.38 -0.05 0.00 -0.61 0.00 0.00 39.78 35.16 1tpk n ASN 68 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1tpk n ARG 69 N -3.87 -1.45 -4.56 3.52 1.74 -1.26 -4.91 116.66 105.87 1tpk n ARG 69 Ca -0.16 0.82 -0.33 0.00 -0.77 0.00 0.00 57.85 57.41 1tpk n ARG 69 Cb 0.63 -5.15 -0.15 0.00 -1.02 0.00 0.00 32.46 26.78 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 -3.53 3.23 -0.46 5.56 3.52 -1.13 -5.08 118.95 121.07 1tpk s ARG 70 Ca 0.00 -0.74 -0.26 0.00 -0.13 0.00 0.00 55.73 54.60 1tpk s ARG 70 Cb 0.00 -2.63 0.03 0.00 -1.56 0.00 0.00 34.95 30.79 1tpk s ARG 70 CO 0.00 0.04 0.95 -1.17 -0.81 0.00 0.00 175.30 174.30 1tpk s LEU 70 N 0.76 3.97 0.00 -0.88 2.96 -1.26 -1.00 118.68 123.24 1tpk s LEU 70 Ca -0.06 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 1tpk s LEU 70 Cb -0.15 -3.23 0.00 0.00 0.50 0.00 0.00 46.19 43.31 1tpk s LEU 70 CO 0.01 -1.07 0.00 1.07 -1.32 0.00 0.00 176.35 175.04 1tpk n THR 71 N 6.45 0.00 -3.72 3.68 5.66 -0.68 -5.01 114.28 120.66 1tpk n THR 71 Ca 0.07 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.97 1tpk n THR 71 Cb 0.49 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.22 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 1.25 -0.10 0.13 1.09 1.48 -1.26 -2.25 118.94 119.27 1tpk s TRP 72 Ca 0.00 -0.23 -0.18 0.00 -1.06 0.00 0.00 56.10 54.63 1tpk s TRP 72 Cb 0.00 0.30 0.04 0.00 -1.16 0.00 0.00 33.47 32.65 1tpk s TRP 72 CO 0.00 -0.81 0.45 -2.00 -4.06 0.00 0.00 176.95 170.53 1tpk s GLU 73 N -3.86 1.11 0.53 3.25 2.12 -0.81 -4.84 118.70 116.21 1tpk s GLU 73 Ca 0.08 -0.62 -0.19 0.00 0.36 0.00 0.00 54.97 54.60 1tpk s GLU 73 Cb 0.01 0.49 -0.06 0.00 0.26 0.00 0.00 34.13 34.83 1tpk s GLU 73 CO -0.06 -0.44 1.08 0.71 -0.54 0.00 0.00 175.26 176.00 1tpk s TYR 74 N -3.69 2.86 0.48 5.30 2.02 -1.26 -1.30 117.35 121.76 1tpk s TYR 74 Ca 0.02 1.55 -0.04 0.00 -0.37 0.00 0.00 57.07 58.23 1tpk s TYR 74 Cb 0.01 -3.14 -0.03 0.00 -0.40 0.00 0.00 41.96 38.40 1tpk s TYR 74 CO -0.11 -1.19 0.77 0.00 -1.57 0.00 0.00 175.55 173.45 1tpk n ASP 76 N -2.25 7.70 -4.50 0.00 2.03 -0.89 -4.60 116.55 114.05 1tpk n ASP 76 Ca 0.01 -3.32 -0.34 0.00 0.52 0.00 0.00 54.79 51.66 1tpk n ASP 76 Cb 0.56 -1.29 -0.12 0.00 -0.72 0.00 0.00 41.12 39.55 1tpk n ASP 76 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1tpk s VAL 77 N -2.24 4.01 0.60 5.18 1.01 -1.26 -4.96 120.40 122.73 1tpk s VAL 77 Ca 0.51 -0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.00 1tpk s VAL 77 Cb 0.22 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 1tpk s VAL 77 CO -0.13 0.47 1.14 -2.16 0.00 0.00 0.00 175.10 174.41 1tpk s PRO 78 N 0.58 3.07 0.38 2.72 0.04 -1.26 -4.88 135.00 135.65 1tpk s PRO 78 Ca -0.01 1.58 -0.25 0.00 0.04 0.00 0.00 61.00 62.35 1tpk s PRO 78 Cb -0.14 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 1tpk s PRO 78 CO 0.02 -1.07 1.10 0.45 0.04 0.00 0.00 177.00 177.54 1tpk s SER 79 N -2.02 6.76 0.00 6.66 0.15 -1.26 -1.66 113.70 122.33 1tpk s SER 79 Ca 0.72 2.20 0.11 0.00 0.70 0.00 0.00 55.95 59.68 1tpk s SER 79 Cb -0.24 -2.60 0.67 0.00 -1.71 0.00 0.00 66.02 62.14 1tpk s SER 79 CO 0.33 -0.50 1.10 0.00 1.20 0.00 0.00 173.24 175.37 1tpk n SER 81 N -0.94 4.10 0.00 0.00 7.64 -1.26 -5.07 113.62 118.09 1tpk n SER 81 Ca 0.08 -3.45 0.00 0.00 1.01 0.00 0.00 58.87 56.52 1tpk n SER 81 Cb 0.04 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1tpk n SER 81 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38