#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2enk n SER 2 N 0.00 -0.72 -1.32 1.61 3.41 -1.26 -5.17 113.62 110.18 2enk n SER 2 Ca 0.00 0.16 0.18 0.00 -0.26 0.00 0.00 58.87 58.95 2enk n SER 2 Cb 0.00 1.04 -0.05 0.00 -0.26 0.00 0.00 64.21 64.94 2enk n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2enk n SER 3 N -2.63 -7.81 -2.55 4.04 2.88 -1.26 -4.89 113.62 101.41 2enk n SER 3 Ca 0.00 0.52 -0.03 0.00 -1.33 0.00 0.00 58.87 58.04 2enk n SER 3 Cb 0.00 -4.03 0.11 0.00 -0.75 0.00 0.00 64.21 59.54 2enk n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2enk n GLY 4 N -3.91 1.55 3.62 0.46 0.00 -1.26 -5.14 105.19 100.51 2enk n GLY 4 Ca 0.01 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2enk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2enk s SER 5 N -1.00 4.40 -0.46 1.61 0.01 -1.26 -5.10 113.70 111.91 2enk s SER 5 Ca 0.10 -0.72 0.05 0.00 1.31 0.00 0.00 55.95 56.69 2enk s SER 5 Cb 0.38 -0.75 0.19 0.00 0.21 0.00 0.00 66.02 66.06 2enk s SER 5 CO -0.11 -0.02 0.43 -0.24 0.41 0.00 0.00 173.24 173.71 2enk n SER 6 N -0.87 0.39 0.00 2.44 2.88 -1.26 -5.10 113.62 112.10 2enk n SER 6 Ca -0.06 -2.62 0.00 0.00 -1.33 0.00 0.00 58.87 54.86 2enk n SER 6 Cb 0.59 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 2enk n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2enk n GLY 7 N 2.27 -3.37 2.68 0.46 0.00 -1.26 -4.55 105.19 101.41 2enk n GLY 7 Ca 0.27 -1.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 2enk n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2enk n LYS 8 N -0.32 2.89 -0.87 1.61 2.85 -1.26 -5.01 118.16 118.06 2enk n LYS 8 Ca 0.00 -3.06 0.12 0.00 -1.05 0.00 0.00 58.31 54.32 2enk n LYS 8 Cb 0.00 -2.25 -0.03 0.00 -0.65 0.00 0.00 35.03 32.10 2enk n LYS 8 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2enk n TYR 9 N 0.28 -2.95 -3.66 5.58 4.01 -1.26 -4.96 117.16 114.20 2enk n TYR 9 Ca 0.52 1.08 -0.09 0.00 -0.16 0.00 0.00 57.90 59.25 2enk n TYR 9 Cb 0.38 -1.93 -0.08 0.00 -0.31 0.00 0.00 39.34 37.39 2enk n TYR 9 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2enk s THR 10 N -1.44 -0.01 -0.32 -0.72 2.01 -1.26 -5.12 115.64 108.79 2enk s THR 10 Ca 0.00 0.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.74 2enk s THR 10 Cb 0.00 -0.85 -0.00 0.00 0.01 0.00 0.00 72.50 71.66 2enk s THR 10 CO 0.00 0.01 1.38 -1.10 -0.69 0.00 0.00 174.62 174.22 2enk s GLN 11 N 1.45 3.81 0.14 4.92 -1.52 -1.26 -4.98 119.66 122.21 2enk s GLN 11 Ca -0.09 1.23 -0.06 0.00 -1.95 0.00 0.00 55.36 54.49 2enk s GLN 11 Cb -0.06 -3.94 -0.02 0.00 -0.22 0.00 0.00 33.01 28.77 2enk s GLN 11 CO -0.16 -1.26 0.20 -0.80 -0.25 0.00 0.00 175.29 173.02 2enk s ASN 12 N 3.32 0.14 0.20 5.90 -0.87 -1.26 -5.05 114.94 117.32 2enk s ASN 12 Ca 0.60 -0.95 0.11 0.00 -1.57 0.00 0.00 52.86 51.05 2enk s ASN 12 Cb -0.17 0.38 -0.01 0.00 -0.02 0.00 0.00 41.25 41.42 2enk s ASN 12 CO 0.26 -0.82 1.39 -1.13 -2.57 0.00 0.00 177.10 174.24 2enk h ASN 13 N 2.68 0.00 -2.70 -1.22 -1.24 -2.01 -3.45 115.58 107.64 2enk h ASN 13 Ca -0.33 0.00 -0.57 0.00 0.71 0.00 0.00 56.30 56.11 2enk h ASN 13 Cb 1.21 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.22 2enk h ASN 13 CO 0.53 0.75 -0.49 -0.36 -1.29 0.00 0.00 177.43 176.57 2enk s PHE 14 N -2.92 3.43 -0.04 0.67 0.40 -1.26 -4.17 117.98 114.10 2enk s PHE 14 Ca 0.02 0.13 0.04 0.00 -0.60 0.00 0.00 56.93 56.52 2enk s PHE 14 Cb 0.09 -1.67 -0.00 0.00 0.51 0.00 0.00 43.02 41.95 2enk s PHE 14 CO 0.78 0.54 -0.14 -1.50 0.70 0.00 0.00 175.22 175.60 2enk s ILE 15 N -1.66 1.17 0.94 0.64 2.07 -1.14 -4.98 121.20 118.23 2enk s ILE 15 Ca 0.34 -0.57 -0.11 0.00 -1.41 0.00 0.00 60.65 58.90 2enk s ILE 15 Cb -0.11 -1.01 0.16 0.00 0.13 0.00 0.00 42.46 41.62 2enk s ILE 15 CO 0.27 0.34 1.11 -0.89 -1.91 0.00 0.00 174.94 173.87 2enk s THR 16 N 0.09 2.28 -0.02 4.00 2.01 -1.26 -2.52 115.64 120.23 2enk s THR 16 Ca -0.03 0.09 -0.10 0.00 0.31 0.00 0.00 61.69 61.96 2enk s THR 16 Cb -0.10 -2.23 -0.06 0.00 0.01 0.00 0.00 72.50 70.12 2enk s THR 16 CO 0.01 -0.12 0.58 1.23 -0.69 0.00 0.00 174.62 175.63 2enk h GLY 17 N -1.90 -0.39 0.51 4.40 0.00 -1.96 -2.95 103.07 100.79 2enk h GLY 17 Ca -0.47 0.14 0.21 0.00 0.00 0.00 0.00 47.33 47.21 2enk h GLY 17 CO 0.46 -0.14 0.54 -0.24 0.00 0.00 0.00 176.54 177.16 2enk h VAL 18 N -0.73 0.63 -0.39 4.60 3.04 -1.94 0.23 116.25 121.69 2enk h VAL 18 Ca -0.04 -0.01 -0.09 0.00 -1.01 0.00 0.00 66.70 65.55 2enk h VAL 18 Cb 0.28 0.61 -0.02 0.00 -2.01 0.00 0.00 31.29 30.16 2enk h VAL 18 CO 0.06 0.00 -0.14 0.03 -1.01 0.00 0.00 177.57 176.52 2enk h ARG 19 N 0.02 0.70 0.23 4.17 3.08 -1.95 -2.41 114.38 118.22 2enk h ARG 19 Ca 0.36 -0.24 -0.30 0.00 0.07 0.00 0.00 59.98 59.87 2enk h ARG 19 Cb 1.41 -0.06 0.03 0.00 0.08 0.00 0.00 29.97 31.43 2enk h ARG 19 CO -0.01 0.81 -1.35 0.00 -1.07 0.00 0.00 179.97 178.36 2enk h ALA 20 N 1.21 -0.13 -0.00 0.04 0.00 -0.44 -1.78 119.26 118.16 2enk h ALA 20 Ca 0.11 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2enk h ALA 20 Cb 0.60 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2enk h ALA 20 CO 0.04 0.64 0.00 0.82 0.00 0.00 0.00 179.25 180.75 2enk h ILE 21 N 0.02 0.54 0.00 0.00 2.04 -1.05 0.21 117.51 119.27 2enk h ILE 21 Ca -0.24 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.33 2enk h ILE 21 Cb 2.04 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 39.08 2enk h ILE 21 CO 0.24 0.00 -1.58 0.59 0.00 0.00 0.00 178.15 177.40 2enk n ASN 22 N -3.87 1.89 0.45 1.72 4.13 -0.91 -2.35 115.26 116.31 2enk n ASN 22 Ca -0.03 0.40 -0.18 0.00 1.68 0.00 0.00 54.58 56.45 2enk n ASN 22 Cb 0.08 -0.93 -0.08 0.00 -1.54 0.00 0.00 39.78 37.31 2enk n ASN 22 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2enk h GLU 23 N -0.97 -1.11 0.00 3.52 4.39 -1.15 -2.98 114.58 116.29 2enk h GLU 23 Ca -0.44 0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.34 2enk h GLU 23 Cb 1.40 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 30.30 2enk h GLU 23 CO -0.26 -0.74 0.00 0.74 -1.16 0.00 0.00 179.01 177.60 2enk h PHE 24 N -1.28 0.00 -5.61 4.33 -1.00 -0.82 -3.48 116.94 109.08 2enk h PHE 24 Ca -0.12 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.37 2enk h PHE 24 Cb 0.88 0.00 0.18 0.00 3.61 0.00 0.00 35.95 40.62 2enk h PHE 24 CO 0.01 0.00 -0.87 0.00 -1.61 0.00 0.00 178.31 175.83 2enk n LEU 26 N -3.45 0.00 -4.80 0.00 4.77 -0.99 -5.00 117.00 107.52 2enk n LEU 26 Ca -0.08 -0.84 -0.34 0.00 -0.03 0.00 0.00 56.01 54.73 2enk n LEU 26 Cb 0.62 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.63 2enk n LEU 26 CO 0.61 -0.34 -0.23 -0.54 -1.33 0.00 0.00 177.39 175.56 2enk s LYS 27 N -2.65 3.16 0.55 3.23 1.02 -1.26 -4.86 119.74 118.92 2enk s LYS 27 Ca 0.09 -0.42 0.23 0.00 0.02 0.00 0.00 55.97 55.88 2enk s LYS 27 Cb -0.01 -2.92 1.49 0.00 -0.52 0.00 0.00 37.83 35.87 2enk s LYS 27 CO 0.05 0.67 2.15 0.77 -0.92 0.00 0.00 175.35 178.07 2enk h SER 28 N 4.21 0.00 0.74 2.83 0.02 -2.00 0.21 113.55 119.55 2enk h SER 28 Ca -0.50 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.37 2enk h SER 28 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 2enk h SER 28 CO 0.62 0.00 -0.41 0.28 -1.14 0.00 0.00 176.83 176.19 2enk h SER 29 N 0.00 0.00 0.01 3.07 0.02 -2.00 -2.76 113.55 111.89 2enk h SER 29 Ca 0.04 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 2enk h SER 29 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2enk h SER 29 CO -0.00 0.41 -0.10 0.44 -1.14 0.00 0.00 176.83 176.43 2enk h ASP 30 N 0.00 0.08 -0.22 3.07 3.32 -1.37 -3.18 116.42 118.12 2enk h ASP 30 Ca -0.00 -0.87 0.05 0.00 0.02 0.00 0.00 57.03 56.23 2enk h ASP 30 Cb 0.89 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 40.37 2enk h ASP 30 CO 0.05 0.94 -0.08 -0.07 -1.72 0.00 0.00 179.24 178.36 2enk h LEU 31 N -0.77 -0.26 -2.11 1.55 -0.00 -1.48 -0.21 115.31 112.03 2enk h LEU 31 Ca -0.02 0.07 0.08 0.00 -0.00 0.00 0.00 57.88 58.02 2enk h LEU 31 Cb 0.96 0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.77 2enk h LEU 31 CO 0.02 -0.10 0.26 1.05 -0.00 0.00 0.00 178.44 179.67 2enk h GLU 32 N -0.03 0.00 -0.06 1.13 4.11 -1.62 0.77 114.58 118.87 2enk h GLU 32 Ca 0.11 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.49 2enk h GLU 32 Cb 0.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2enk h GLU 32 CO -0.25 0.00 -0.20 0.37 0.07 0.00 0.00 179.01 179.01 2enk h GLN 33 N 0.00 0.10 -7.40 1.06 4.15 -1.00 -3.44 115.11 108.58 2enk h GLN 33 Ca 0.14 -0.03 -0.41 0.00 0.77 0.00 0.00 58.65 59.12 2enk h GLN 33 Cb 0.65 -0.01 0.20 0.00 0.21 0.00 0.00 27.48 28.52 2enk h GLN 33 CO -0.00 0.30 0.12 -0.51 -1.93 0.00 0.00 178.83 176.81 2enk s LEU 34 N -8.61 0.49 0.01 -2.39 1.43 0.26 -4.96 118.68 104.90 2enk s LEU 34 Ca -0.04 0.52 -0.30 0.00 -1.03 0.00 0.00 54.13 53.27 2enk s LEU 34 Cb 0.15 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2enk s LEU 34 CO 0.72 -4.35 1.18 -0.60 0.23 0.00 0.00 176.35 173.52 2enk s ARG 35 N -5.50 4.42 -0.64 1.70 3.52 -1.26 -4.98 118.95 116.21 2enk s ARG 35 Ca 0.72 1.70 -0.25 0.00 -0.13 0.00 0.00 55.73 57.76 2enk s ARG 35 Cb -0.08 -3.44 0.04 0.00 -1.56 0.00 0.00 34.95 29.92 2enk s ARG 35 CO 0.56 -0.30 1.09 0.15 -0.81 0.00 0.00 175.30 175.99 2enk s LYS 36 N 1.47 3.27 -0.17 5.12 3.01 -1.26 -4.74 119.74 126.44 2enk s LYS 36 Ca 0.57 -0.30 -0.08 0.00 -1.01 0.00 0.00 55.97 55.15 2enk s LYS 36 Cb -0.27 -4.12 -0.04 0.00 -1.01 0.00 0.00 37.83 32.38 2enk s LYS 36 CO 0.26 -1.79 0.11 0.42 0.51 0.00 0.00 175.35 174.87 2enk s ILE 37 N 4.67 5.28 -0.15 2.17 1.09 -1.08 -4.96 121.20 128.22 2enk s ILE 37 Ca 0.32 0.14 0.03 0.00 -1.10 0.00 0.00 60.65 60.04 2enk s ILE 37 Cb -0.11 -3.37 -0.04 0.00 -1.06 0.00 0.00 42.46 37.88 2enk s ILE 37 CO 0.17 0.50 0.14 0.54 -0.10 0.00 0.00 174.94 176.19 2enk n ARG 38 N 3.04 5.41 -1.28 2.79 3.00 -1.26 -1.17 116.66 127.18 2enk n ARG 38 Ca -0.17 -0.00 0.16 0.00 -0.01 0.00 0.00 57.85 57.83 2enk n ARG 38 Cb 0.53 -0.70 -0.06 0.00 0.00 0.00 0.00 32.46 32.23 2enk n ARG 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2enk n ARG 39 N -1.12 -2.80 -3.49 5.56 1.74 -1.26 -4.86 116.66 110.42 2enk n ARG 39 Ca 0.01 2.13 -0.23 0.00 -0.77 0.00 0.00 57.85 58.98 2enk n ARG 39 Cb 0.06 -3.34 0.05 0.00 -1.02 0.00 0.00 32.46 28.21 2enk n ARG 39 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2enk n ARG 40 N -4.11 -1.55 -3.11 5.56 0.63 -1.26 -3.63 116.66 109.19 2enk n ARG 40 Ca -0.04 0.71 -0.03 0.00 -0.92 0.00 0.00 57.85 57.56 2enk n ARG 40 Cb 0.60 -4.71 0.00 0.00 0.45 0.00 0.00 32.46 28.80 2enk n ARG 40 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2enk n SER 41 N -2.74 -7.55 -4.62 6.15 7.64 -1.26 -4.88 113.62 106.36 2enk n SER 41 Ca -0.09 -0.10 -0.43 0.00 1.01 0.00 0.00 58.87 59.26 2enk n SER 41 Cb 0.59 -4.99 -0.03 0.00 -1.01 0.00 0.00 64.21 58.78 2enk n SER 41 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2enk s PRO 42 N -3.13 3.66 0.05 1.43 0.04 -1.24 -5.00 135.00 130.81 2enk s PRO 42 Ca 0.02 1.54 0.08 0.00 0.04 0.00 0.00 61.00 62.68 2enk s PRO 42 Cb -0.01 -4.07 -0.03 0.00 0.04 0.00 0.00 34.50 30.43 2enk s PRO 42 CO 0.76 -1.46 -0.21 -1.01 0.04 0.00 0.00 177.00 175.13 2enk s HIS 43 N 5.63 1.86 -0.45 0.56 3.76 -1.26 -4.98 115.29 120.41 2enk s HIS 43 Ca 0.73 -0.38 -0.28 0.00 -0.15 0.00 0.00 55.06 54.98 2enk s HIS 43 Cb -0.23 -1.09 -0.02 0.00 1.11 0.00 0.00 32.58 32.35 2enk s HIS 43 CO 0.31 0.12 1.80 -1.21 -0.85 0.00 0.00 174.74 174.90 2enk s GLU 44 N -1.31 3.06 -0.09 1.40 2.02 -1.26 -4.68 118.70 117.83 2enk s GLU 44 Ca 0.08 1.07 0.07 0.00 0.02 0.00 0.00 54.97 56.20 2enk s GLU 44 Cb -0.09 -4.26 0.16 0.00 0.10 0.00 0.00 34.13 30.04 2enk s GLU 44 CO 0.02 -2.20 1.15 -3.47 0.02 0.00 0.00 175.26 170.79 2enk n ASP 45 N 11.22 -0.81 -2.44 -0.19 2.03 -1.26 -5.09 116.55 120.01 2enk n ASP 45 Ca 0.22 -2.05 -0.05 0.00 0.52 0.00 0.00 54.79 53.43 2enk n ASP 45 Cb 0.49 0.30 -0.04 0.00 -0.72 0.00 0.00 41.12 41.16 2enk n ASP 45 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2enk n THR 46 N -0.35-12.03 -4.58 5.18 -1.04 -1.26 -5.07 114.28 95.13 2enk n THR 46 Ca -0.21 2.58 -0.27 0.00 -2.04 0.00 0.00 64.05 64.12 2enk n THR 46 Cb 0.79 -6.19 -0.11 0.00 -1.82 0.00 0.00 70.33 63.00 2enk n THR 46 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2enk s GLU 47 N -0.72 1.89 -0.18 -2.82 0.41 -1.26 -5.08 118.70 110.94 2enk s GLU 47 Ca -0.23 -2.06 -0.07 0.00 -0.41 0.00 0.00 54.97 52.21 2enk s GLU 47 Cb 0.02 -1.50 -0.09 0.00 -1.78 0.00 0.00 34.13 30.78 2enk s GLU 47 CO 0.61 -0.06 -0.22 0.43 -0.49 0.00 0.00 175.26 175.53 2enk n SER 48 N -0.90 1.59 -4.85 -0.19 7.64 -1.26 -5.01 113.62 110.64 2enk n SER 48 Ca -0.05 0.16 -0.32 0.00 1.01 0.00 0.00 58.87 59.68 2enk n SER 48 Cb 0.67 -0.49 -0.04 0.00 -1.01 0.00 0.00 64.21 63.34 2enk n SER 48 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2enk s PHE 49 N -2.34 3.44 -0.30 1.43 2.19 -1.26 -5.08 117.98 116.07 2enk s PHE 49 Ca -0.25 1.37 -0.12 0.00 0.33 0.00 0.00 56.93 58.26 2enk s PHE 49 Cb 0.09 -2.70 0.14 0.00 -1.31 0.00 0.00 43.02 39.24 2enk s PHE 49 CO 0.34 -0.27 0.78 0.95 1.83 0.00 0.00 175.22 178.85 2enk s THR 50 N -2.51 -0.80 0.26 0.12 -4.23 -1.26 -4.86 115.64 102.36 2enk s THR 50 Ca 0.57 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.16 2enk s THR 50 Cb -0.10 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.70 2enk s THR 50 CO 0.29 0.00 0.15 0.68 -0.54 0.00 0.00 174.62 175.21 2enk s VAL 51 N 2.73 4.09 0.34 2.29 -7.23 -0.32 -4.07 120.40 118.23 2enk s VAL 51 Ca -0.04 -1.54 0.06 0.00 -1.81 0.00 0.00 61.98 58.64 2enk s VAL 51 Cb -0.10 -3.23 -0.07 0.00 0.56 0.00 0.00 36.38 33.54 2enk s VAL 51 CO -0.18 -0.34 0.01 -0.31 -0.31 0.00 0.00 175.10 173.97 2enk s TYR 52 N -2.20 2.17 0.03 2.82 2.02 -1.05 -2.63 117.35 118.50 2enk s TYR 52 Ca 0.33 -0.79 -0.22 0.00 -0.37 0.00 0.00 57.07 56.01 2enk s TYR 52 Cb -0.07 -1.42 -0.06 0.00 -0.40 0.00 0.00 41.96 40.01 2enk s TYR 52 CO 0.24 0.23 0.67 -0.51 -1.57 0.00 0.00 175.55 174.61 2enk s LEU 53 N -3.56 4.45 0.45 -1.29 2.01 -1.26 -2.90 118.68 116.58 2enk s LEU 53 Ca 0.35 1.31 0.18 0.00 0.01 0.00 0.00 54.13 55.97 2enk s LEU 53 Cb 0.08 -3.06 1.14 0.00 0.01 0.00 0.00 46.19 44.35 2enk s LEU 53 CO 0.16 0.09 1.94 -0.09 1.01 0.00 0.00 176.35 179.46 2enk h ARG 54 N 5.46 0.30 0.06 1.70 9.65 -1.93 0.13 114.38 129.76 2enk h ARG 54 Ca -0.45 -0.02 -0.21 0.00 -1.10 0.00 0.00 59.98 58.20 2enk h ARG 54 Cb 1.20 -0.07 0.02 0.00 -1.39 0.00 0.00 29.97 29.74 2enk h ARG 54 CO 0.69 0.20 -0.86 0.77 2.80 0.00 0.00 179.97 183.58 2enk h SER 55 N 0.31 0.64 -0.59 -3.80 0.02 -1.92 -2.78 113.55 105.44 2enk h SER 55 Ca 0.33 -0.82 -0.06 0.00 -0.84 0.00 0.00 61.79 60.41 2enk h SER 55 Cb 0.87 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 2enk h SER 55 CO -0.09 1.39 0.16 0.44 -1.14 0.00 0.00 176.83 177.60 2enk h ASP 56 N -0.03 0.90 0.67 3.07 3.32 -1.66 -2.35 116.42 120.34 2enk h ASP 56 Ca -0.13 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.66 2enk h ASP 56 Cb 1.58 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 2enk h ASP 56 CO 0.17 0.87 -0.43 0.58 -1.72 0.00 0.00 179.24 178.70 2enk h VAL 57 N 0.93 1.09 0.41 -1.35 2.07 -0.86 -2.93 116.25 115.61 2enk h VAL 57 Ca 0.20 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 2enk h VAL 57 Cb 0.31 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 2enk h VAL 57 CO -0.00 0.42 -0.20 -0.08 0.02 0.00 0.00 177.57 177.73 2enk h GLU 58 N 0.00 -0.53 -0.99 1.57 4.81 -1.13 -3.07 114.58 115.25 2enk h GLU 58 Ca -0.00 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 2enk h GLU 58 Cb 0.88 0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.32 2enk h GLU 58 CO 0.06 -0.23 0.64 0.00 -0.73 0.00 0.00 179.01 178.74 2enk h ALA 59 N -0.36 1.45 -0.36 2.92 0.00 -1.53 -0.27 119.26 121.09 2enk h ALA 59 Ca -0.06 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.94 2enk h ALA 59 Cb 0.54 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2enk h ALA 59 CO 0.09 0.39 0.32 -0.22 0.00 0.00 0.00 179.25 179.83 2enk h LYS 60 N 1.12 0.00 0.00 0.00 1.63 -1.46 0.28 116.57 118.14 2enk h LYS 60 Ca 0.44 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 60.09 2enk h LYS 60 Cb 0.23 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 2enk h LYS 60 CO -0.18 0.00 -0.85 0.66 -3.45 0.00 0.00 179.45 175.62 2enk h SER 61 N 0.00 0.00 0.63 4.20 4.64 -0.95 -3.05 113.55 119.01 2enk h SER 61 Ca 0.17 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.22 2enk h SER 61 Cb 0.80 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.88 2enk h SER 61 CO -0.00 0.64 -1.37 -0.07 -0.87 0.00 0.00 176.83 175.16 2enk h LEU 62 N 0.00 0.24 -0.75 5.97 3.38 -0.38 -2.34 115.31 121.43 2enk h LEU 62 Ca -0.05 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 2enk h LEU 62 Cb 1.53 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 2enk h LEU 62 CO 0.07 1.25 -0.36 1.05 0.09 0.00 0.00 178.44 180.55 2enk h GLU 63 N 0.04 0.00 0.00 1.13 -0.00 -0.81 -0.95 114.58 113.99 2enk h GLU 63 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.19 2enk h GLU 63 Cb 1.94 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.69 2enk h GLU 63 CO 0.15 0.36 0.00 0.28 -0.00 0.00 0.00 179.01 179.80 2enk n VAL 64 N -3.41 0.00 0.29 -1.06 0.31 -1.15 -4.46 118.33 108.85 2enk n VAL 64 Ca 0.00 0.35 0.14 0.00 -0.01 0.00 0.00 64.34 64.82 2enk n VAL 64 Cb 0.54 -1.21 0.87 0.00 -0.91 0.00 0.00 33.84 33.13 2enk n VAL 64 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 2enk h TRP 65 N 0.00 0.00 0.00 3.52 4.06 -1.60 -3.46 115.95 118.47 2enk h TRP 65 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2enk h TRP 65 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 2enk h TRP 65 CO 0.00 0.01 0.00 0.41 -3.56 0.00 0.00 178.44 175.30 2enk n GLY 66 N -1.31 3.11 3.31 1.49 0.00 -0.36 -4.92 105.19 106.50 2enk n GLY 66 Ca -0.03 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 2enk n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2enk s SER 67 N 0.00 -0.16 0.43 1.61 1.04 -1.23 -4.67 113.70 110.72 2enk s SER 67 Ca 0.00 -0.41 0.30 0.00 0.48 0.00 0.00 55.95 56.32 2enk s SER 67 Cb 0.00 0.46 1.24 0.00 0.10 0.00 0.00 66.02 67.81 2enk s SER 67 CO 0.00 -0.85 1.88 1.55 0.98 0.00 0.00 173.24 176.80 2enk h PRO 68 N 2.43 0.00 0.00 4.02 0.13 -1.91 -2.77 132.00 133.90 2enk h PRO 68 Ca -0.34 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.65 2enk h PRO 68 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2enk h PRO 68 CO 0.48 0.00 -0.68 0.93 -0.23 0.00 0.00 178.00 178.50 2enk h GLU 69 N 0.00 0.00 -0.24 0.86 4.39 -1.98 -2.09 114.58 115.52 2enk h GLU 69 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2enk h GLU 69 Cb 0.44 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2enk h GLU 69 CO 0.00 0.68 -0.32 0.00 -1.16 0.00 0.00 179.01 178.21 2enk h ALA 70 N 1.32 1.02 0.21 3.43 0.00 -1.85 -2.91 119.26 120.48 2enk h ALA 70 Ca -0.01 -0.38 -0.33 0.00 0.00 0.00 0.00 54.91 54.19 2enk h ALA 70 Cb 1.26 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.96 2enk h ALA 70 CO 0.09 0.59 -1.52 1.25 0.00 0.00 0.00 179.25 179.66 2enk h LEU 71 N 0.42 0.70 -2.02 0.00 5.85 -1.64 -3.29 115.31 115.33 2enk h LEU 71 Ca 0.05 -0.82 0.10 0.00 0.84 0.00 0.00 57.88 58.04 2enk h LEU 71 Cb 0.76 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2enk h LEU 71 CO 0.06 1.66 0.25 0.00 -0.34 0.00 0.00 178.44 180.07 2enk h ALA 72 N 0.23 2.28 -0.82 1.25 0.00 -1.34 -0.67 119.26 120.20 2enk h ALA 72 Ca -0.26 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.72 2enk h ALA 72 Cb 2.12 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.88 2enk h ALA 72 CO 0.24 -0.42 0.53 0.00 0.00 0.00 0.00 179.25 179.60 2enk h ARG 73 N 0.00 0.80 0.10 0.00 2.47 -1.58 -1.93 114.38 114.24 2enk h ARG 73 Ca 0.16 -0.05 -0.34 0.00 -1.26 0.00 0.00 59.98 58.49 2enk h ARG 73 Cb 0.65 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.77 2enk h ARG 73 CO -0.00 0.53 -1.83 0.93 0.56 0.00 0.00 179.97 180.16 2enk h GLU 74 N 0.83 0.21 -0.83 0.04 4.39 -1.35 -3.36 114.58 114.51 2enk h GLU 74 Ca 0.37 -0.36 0.17 0.00 0.34 0.00 0.00 59.36 59.88 2enk h GLU 74 Cb 0.35 0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 29.07 2enk h GLU 74 CO -0.14 1.03 0.55 0.87 -1.16 0.00 0.00 179.01 180.17 2enk h LYS 75 N 0.06 0.44 -0.23 2.33 1.79 -0.90 -0.77 116.57 119.29 2enk h LYS 75 Ca -0.35 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.05 2enk h LYS 75 Cb 2.03 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 32.58 2enk h LYS 75 CO 0.11 0.29 -0.01 -0.22 -1.08 0.00 0.00 179.45 178.53 2enk h LYS 76 N 0.45 0.42 0.26 3.15 1.63 -1.50 -1.32 116.57 119.65 2enk h LYS 76 Ca 0.42 -0.14 -0.01 0.00 -0.85 0.00 0.00 60.65 60.07 2enk h LYS 76 Cb 0.97 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.56 2enk h LYS 76 CO -0.15 0.61 -0.14 -0.07 -3.45 0.00 0.00 179.45 176.25 2enk h LEU 77 N 0.18 -0.34 -1.50 5.20 -0.00 -1.32 0.26 115.31 117.79 2enk h LEU 77 Ca 0.06 0.02 0.03 0.00 -0.00 0.00 0.00 57.88 57.99 2enk h LEU 77 Cb 0.43 0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 41.15 2enk h LEU 77 CO 0.01 -0.23 0.37 0.03 -0.00 0.00 0.00 178.44 178.62 2enk h ARG 78 N -0.37 0.64 0.50 1.13 3.08 -1.33 -0.66 114.38 117.36 2enk h ARG 78 Ca -0.03 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2enk h ARG 78 Cb 0.30 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2enk h ARG 78 CO 0.05 0.43 -0.24 -0.22 -1.07 0.00 0.00 179.97 178.91 2enk h LYS 79 N 0.66 -0.65 -0.30 0.04 3.64 -0.78 -2.99 116.57 116.20 2enk h LYS 79 Ca 0.22 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.73 2enk h LYS 79 Cb 0.07 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2enk h LYS 79 CO -0.06 -0.35 0.24 0.93 -2.27 0.00 0.00 179.45 177.93 2enk h GLU 80 N -1.06 0.00 0.61 1.90 4.39 -0.78 -2.39 114.58 117.26 2enk h GLU 80 Ca -0.07 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 2enk h GLU 80 Cb 0.59 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2enk h GLU 80 CO 0.11 0.00 -0.29 0.00 -1.16 0.00 0.00 179.01 177.67 2enk h ALA 81 N 1.81 -0.82 -0.53 3.43 0.00 -1.04 -0.83 119.26 121.28 2enk h ALA 81 Ca 0.14 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2enk h ALA 81 Cb 0.61 0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 2enk h ALA 81 CO -0.00 -0.95 0.21 0.93 0.00 0.00 0.00 179.25 179.44 2enk h GLU 82 N -0.85 0.40 -0.57 0.00 5.08 -1.29 -1.75 114.58 115.60 2enk h GLU 82 Ca -0.08 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.29 2enk h GLU 82 Cb 0.64 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 2enk h GLU 82 CO 0.14 0.26 0.32 0.82 -1.00 0.00 0.00 179.01 179.55 2enk h ILE 83 N 0.41 1.00 0.00 3.13 2.04 -1.38 -0.25 117.51 122.46 2enk h ILE 83 Ca 0.25 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 2enk h ILE 83 Cb 0.26 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2enk h ILE 83 CO -0.24 0.11 -0.09 -0.33 0.00 0.00 0.00 178.15 177.60 2enk h GLU 84 N 0.61 0.00 0.09 2.37 4.39 -0.40 0.17 114.58 121.80 2enk h GLU 84 Ca 0.24 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.94 2enk h GLU 84 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2enk h GLU 84 CO -0.14 0.09 -0.04 -0.92 -1.16 0.00 0.00 179.01 176.84 2enk h TYR 85 N 0.00 -0.11 0.00 4.33 3.20 -0.33 -3.30 116.97 120.76 2enk h TYR 85 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2enk h TYR 85 Cb 0.21 0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 2enk h TYR 85 CO 0.00 -0.01 -0.07 0.07 -1.64 0.00 0.00 178.16 176.51 2enk h ARG 86 N -1.03 0.00 0.27 1.82 -0.00 -1.05 -3.03 114.38 111.37 2enk h ARG 86 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.97 2enk h ARG 86 Cb 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.09 2enk h ARG 86 CO 0.02 0.07 -0.41 0.93 -0.00 0.00 0.00 179.97 180.57 2enk h GLU 87 N 0.00 -0.69 -0.08 0.08 4.39 -0.77 0.26 114.58 117.77 2enk h GLU 87 Ca -0.00 0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.77 2enk h GLU 87 Cb 0.13 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2enk h GLU 87 CO 0.01 -0.46 0.08 0.07 -1.16 0.00 0.00 179.01 177.54 2enk h ARG 88 N -0.72 0.00 -0.01 2.33 0.11 -1.61 -0.39 114.38 114.09 2enk h ARG 88 Ca -0.03 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.88 2enk h ARG 88 Cb 0.66 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.72 2enk h ARG 88 CO -0.13 0.00 -0.79 -0.07 0.10 0.00 0.00 179.97 179.09 2enk h LEU 89 N 0.00 0.14 -0.12 0.08 3.38 -1.13 -2.87 115.31 114.78 2enk h LEU 89 Ca 0.04 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2enk h LEU 89 Cb 0.19 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2enk h LEU 89 CO -0.00 0.87 -0.02 0.15 0.09 0.00 0.00 178.44 179.53 2enk h PHE 90 N 0.07 0.26 -0.81 1.13 3.04 0.12 -3.04 116.94 117.71 2enk h PHE 90 Ca -0.02 -0.05 -0.03 0.00 3.98 0.00 0.00 57.97 61.85 2enk h PHE 90 Cb 1.38 -0.06 -0.04 0.00 2.56 0.00 0.00 35.95 39.79 2enk h PHE 90 CO 0.01 0.51 0.40 0.00 -2.02 0.00 0.00 178.31 177.21 2enk h ARG 91 N -0.07 1.15 -0.63 1.11 3.08 -1.56 -2.73 114.38 114.73 2enk h ARG 91 Ca 0.03 -0.16 0.11 0.00 0.07 0.00 0.00 59.98 60.03 2enk h ARG 91 Cb 0.42 -0.21 -0.08 0.00 0.08 0.00 0.00 29.97 30.18 2enk h ARG 91 CO 0.01 0.88 0.23 -0.97 -1.07 0.00 0.00 179.97 179.04 2enk h ASN 92 N 1.14 0.20 -1.82 7.04 -1.24 -1.44 -3.32 115.58 116.15 2enk h ASN 92 Ca 0.28 0.09 -0.64 0.00 0.71 0.00 0.00 56.30 56.74 2enk h ASN 92 Cb 0.10 0.08 -0.13 0.00 0.73 0.00 0.00 38.32 39.09 2enk h ASN 92 CO -0.04 0.11 1.14 -1.58 -1.29 0.00 0.00 177.43 175.77 2enk s GLN 93 N -6.08 3.54 0.42 6.67 0.74 -1.03 -4.89 119.66 119.03 2enk s GLN 93 Ca -0.13 -1.32 0.00 0.00 0.05 0.00 0.00 55.36 53.96 2enk s GLN 93 Cb 0.18 -5.04 0.00 0.00 1.10 0.00 0.00 33.01 29.25 2enk s GLN 93 CO 0.75 -2.00 0.00 1.17 -0.55 0.00 0.00 175.29 174.66 2enk n LYS 94 N 7.86 -2.73 -0.03 1.67 4.81 -1.25 -4.83 118.16 123.66 2enk n LYS 94 Ca 0.25 2.02 -0.02 0.00 -0.87 0.00 0.00 58.31 59.70 2enk n LYS 94 Cb 0.50 -3.27 -0.05 0.00 0.02 0.00 0.00 35.03 32.23 2enk n LYS 94 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 2enk n ILE 95 N -4.07 0.35 -1.41 3.15 3.06 -1.26 -4.54 119.36 114.63 2enk n ILE 95 Ca -0.03 -0.25 0.19 0.00 -2.50 0.00 0.00 62.75 60.16 2enk n ILE 95 Cb 0.59 -0.57 -0.05 0.00 0.54 0.00 0.00 39.64 40.15 2enk n ILE 95 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2enk n LEU 96 N -2.13 -0.70 -1.42 9.51 4.77 -1.26 -5.00 117.00 120.78 2enk n LEU 96 Ca -0.08 1.53 0.19 0.00 -0.03 0.00 0.00 56.01 57.61 2enk n LEU 96 Cb 0.59 -4.27 -0.06 0.00 -2.33 0.00 0.00 43.42 37.36 2enk n LEU 96 CO 0.14 -3.79 -0.38 0.54 -1.33 0.00 0.00 177.39 172.57 2enk n ARG 97 N -4.17 -2.99 -1.44 3.23 3.00 -1.26 -4.69 116.66 108.35 2enk n ARG 97 Ca 0.01 2.14 -0.03 0.00 -0.01 0.00 0.00 57.85 59.96 2enk n ARG 97 Cb 0.64 -3.60 0.10 0.00 0.00 0.00 0.00 32.46 29.60 2enk n ARG 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2enk n GLU 98 N -4.24 1.83 -4.18 5.56 -0.58 -1.26 -5.06 120.64 112.71 2enk n GLU 98 Ca -0.02 -3.31 -0.17 0.00 -0.42 0.00 0.00 57.16 53.24 2enk n GLU 98 Cb 0.66 -1.48 -0.06 0.00 -0.57 0.00 0.00 31.44 29.99 2enk n GLU 98 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2enk s TYR 99 N -2.77 1.42 0.13 -0.32 1.51 -1.26 -5.19 117.35 110.88 2enk s TYR 99 Ca 0.39 -1.49 -0.13 0.00 -1.01 0.00 0.00 57.07 54.83 2enk s TYR 99 Cb 0.38 -0.39 0.02 0.00 -0.11 0.00 0.00 41.96 41.85 2enk s TYR 99 CO -0.06 -1.02 0.34 -0.98 -1.11 0.00 0.00 175.55 172.73 2enk s ARG 100 N -3.20 1.08 0.00 -0.62 3.03 -1.26 -5.08 118.95 112.91 2enk s ARG 100 Ca 0.36 -0.89 0.00 0.00 2.03 0.00 0.00 55.73 57.23 2enk s ARG 100 Cb 0.01 0.43 0.00 0.00 -1.03 0.00 0.00 34.95 34.36 2enk s ARG 100 CO 0.24 -0.41 0.35 -0.40 -1.13 0.00 0.00 175.30 173.96