#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2enk s SER 2 N 0.00 2.26 -0.30 1.61 0.01 -1.26 -4.85 113.70 111.17 2enk s SER 2 Ca 0.00 -1.77 -0.17 0.00 1.31 0.00 0.00 55.95 55.32 2enk s SER 2 Cb 0.00 0.59 0.18 0.00 0.21 0.00 0.00 66.02 67.00 2enk s SER 2 CO 0.00 -1.05 1.13 -0.44 0.41 0.00 0.00 173.24 173.29 2enk s SER 3 N -3.49 -0.32 0.00 2.44 0.01 -1.26 -5.01 113.70 106.07 2enk s SER 3 Ca 0.33 0.46 0.00 0.00 1.31 0.00 0.00 55.95 58.05 2enk s SER 3 Cb 0.02 1.30 0.00 0.00 0.21 0.00 0.00 66.02 67.54 2enk s SER 3 CO 0.23 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2enk n GLY 4 N 4.32 0.15 3.29 3.44 0.00 -1.26 -4.95 105.19 110.18 2enk n GLY 4 Ca -0.11 -1.29 -0.19 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.17 1.51 0.33 1.61 0.01 -1.26 -5.15 113.70 109.58 2enk s SER 5 Ca 0.00 -1.69 0.08 0.00 1.31 0.00 0.00 55.95 55.65 2enk s SER 5 Cb 0.00 0.52 -0.03 0.00 0.21 0.00 0.00 66.02 66.72 2enk s SER 5 CO 0.00 -1.01 0.25 -0.44 0.41 0.00 0.00 173.24 172.45 2enk s SER 6 N -3.36 5.15 0.00 2.44 0.01 -1.26 -5.14 113.70 111.54 2enk s SER 6 Ca 0.39 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.10 2enk s SER 6 Cb 0.03 -0.93 0.00 0.00 0.21 0.00 0.00 66.02 65.33 2enk s SER 6 CO 0.24 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.17 2enk n GLY 7 N -1.31 3.04 3.06 3.44 0.00 -1.26 -5.07 105.19 107.09 2enk n GLY 7 Ca -0.02 -1.79 0.12 0.00 0.00 0.00 0.00 46.02 44.33 2enk n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2enk n LYS 8 N 0.00 -1.82 -4.55 1.61 4.76 -1.26 -4.89 118.16 112.01 2enk n LYS 8 Ca 0.00 1.20 -0.26 0.00 -2.87 0.00 0.00 58.31 56.38 2enk n LYS 8 Cb 0.00 -2.22 -0.14 0.00 -1.84 0.00 0.00 35.03 30.83 2enk n LYS 8 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 2enk s TYR 9 N -1.46 1.91 -0.19 2.13 1.13 -1.26 -5.14 117.35 114.47 2enk s TYR 9 Ca 0.00 -0.39 -0.28 0.00 -1.41 0.00 0.00 57.07 54.99 2enk s TYR 9 Cb 0.00 -1.10 0.09 0.00 -1.10 0.00 0.00 41.96 39.85 2enk s TYR 9 CO 0.00 0.15 0.82 -0.08 -2.51 0.00 0.00 175.55 173.93 2enk s THR 10 N -0.92 0.00 -0.09 -3.49 -1.32 -1.26 -5.16 115.64 103.39 2enk s THR 10 Ca 0.08 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.56 2enk s THR 10 Cb -0.09 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.87 2enk s THR 10 CO 0.03 0.00 -0.08 -1.10 -2.21 0.00 0.00 174.62 171.25 2enk s GLN 11 N -0.37 3.02 0.36 7.08 -1.52 -1.26 -5.07 119.66 121.90 2enk s GLN 11 Ca -0.03 -0.59 0.01 0.00 -1.95 0.00 0.00 55.36 52.81 2enk s GLN 11 Cb -0.03 -2.64 -0.00 0.00 -0.22 0.00 0.00 33.01 30.12 2enk s GLN 11 CO 0.02 0.49 0.44 -0.80 -0.25 0.00 0.00 175.29 175.19 2enk s ASN 12 N -0.34 1.29 0.56 5.90 -0.87 -1.26 -5.02 114.94 115.19 2enk s ASN 12 Ca 0.05 -1.62 0.26 0.00 -1.57 0.00 0.00 52.86 49.97 2enk s ASN 12 Cb -0.12 0.66 1.51 0.00 -0.02 0.00 0.00 41.25 43.28 2enk s ASN 12 CO 0.02 -1.27 2.06 0.78 -2.57 0.00 0.00 177.10 176.12 2enk h ASN 13 N 2.07 0.00 -4.10 -1.22 4.21 -1.99 -3.41 115.58 111.14 2enk h ASN 13 Ca -0.27 0.00 -0.69 0.00 1.21 0.00 0.00 56.30 56.55 2enk h ASN 13 Cb 1.24 0.00 -0.24 0.00 -1.12 0.00 0.00 38.32 38.20 2enk h ASN 13 CO 0.37 0.00 -0.86 -0.36 -1.29 0.00 0.00 177.43 175.29 2enk s PHE 14 N -4.81 2.36 -0.04 1.19 0.40 -1.26 -4.08 117.98 111.74 2enk s PHE 14 Ca -0.05 -0.37 0.05 0.00 -0.60 0.00 0.00 56.93 55.96 2enk s PHE 14 Cb 0.17 -1.35 -0.01 0.00 0.51 0.00 0.00 43.02 42.34 2enk s PHE 14 CO 0.62 0.23 -0.20 -1.50 0.70 0.00 0.00 175.22 175.06 2enk s ILE 15 N -0.92 1.67 0.94 0.64 2.07 -1.13 -5.00 121.20 119.47 2enk s ILE 15 Ca 0.13 -0.87 -0.10 0.00 -1.41 0.00 0.00 60.65 58.40 2enk s ILE 15 Cb -0.10 -1.41 0.16 0.00 0.13 0.00 0.00 42.46 41.24 2enk s ILE 15 CO 0.04 0.47 1.13 -0.89 -1.91 0.00 0.00 174.94 173.78 2enk s THR 16 N -0.18 2.09 -0.00 4.00 2.01 -1.26 -2.78 115.64 119.52 2enk s THR 16 Ca -0.00 0.03 -0.09 0.00 0.31 0.00 0.00 61.69 61.94 2enk s THR 16 Cb -0.11 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 2enk s THR 16 CO 0.02 -0.04 0.75 1.23 -0.69 0.00 0.00 174.62 175.88 2enk h GLY 17 N -1.96 -0.33 0.86 4.40 0.00 -1.98 -2.63 103.07 101.43 2enk h GLY 17 Ca -0.46 0.12 0.15 0.00 0.00 0.00 0.00 47.33 47.15 2enk h GLY 17 CO 0.43 -0.12 0.43 -0.24 0.00 0.00 0.00 176.54 177.04 2enk h VAL 18 N -0.47 0.55 -0.12 4.60 3.04 -1.94 0.26 116.25 122.17 2enk h VAL 18 Ca -0.03 0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 65.55 2enk h VAL 18 Cb 0.25 0.68 -0.01 0.00 -2.01 0.00 0.00 31.29 30.20 2enk h VAL 18 CO 0.05 0.00 -0.41 0.03 -1.01 0.00 0.00 177.57 176.23 2enk h ARG 19 N 0.00 0.27 0.03 4.17 2.47 -1.93 -2.28 114.38 117.11 2enk h ARG 19 Ca 0.24 -0.13 -0.26 0.00 -1.26 0.00 0.00 59.98 58.57 2enk h ARG 19 Cb 1.10 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.38 2enk h ARG 19 CO -0.00 0.64 -1.40 0.00 0.56 0.00 0.00 179.97 179.77 2enk h ALA 20 N 1.35 0.49 0.00 0.04 0.00 -0.16 -2.62 119.26 118.35 2enk h ALA 20 Ca 0.02 -1.17 -0.06 0.00 0.00 0.00 0.00 54.91 53.70 2enk h ALA 20 Cb 0.82 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2enk h ALA 20 CO 0.07 1.35 -0.31 0.82 0.00 0.00 0.00 179.25 181.18 2enk h ILE 21 N 0.02 0.82 0.00 0.00 2.04 -1.06 0.21 117.51 119.54 2enk h ILE 21 Ca -0.17 -1.26 -0.31 0.00 1.00 0.00 0.00 64.86 64.12 2enk h ILE 21 Cb 1.92 1.77 -0.05 0.00 -0.74 0.00 0.00 36.82 39.72 2enk h ILE 21 CO 0.12 0.30 -1.85 0.59 0.00 0.00 0.00 178.15 177.31 2enk n ASN 22 N -3.60 0.74 -0.06 1.72 3.02 -0.87 -2.72 115.26 113.50 2enk n ASN 22 Ca -0.01 0.33 -0.03 0.00 -0.03 0.00 0.00 54.58 54.84 2enk n ASN 22 Cb 0.44 0.12 -0.02 0.00 -0.61 0.00 0.00 39.78 39.71 2enk n ASN 22 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2enk h GLU 23 N 0.00 0.00 0.00 3.52 4.39 -1.36 -3.36 114.58 117.78 2enk h GLU 23 Ca -0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2enk h GLU 23 Cb 2.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.71 2enk h GLU 23 CO 0.07 0.08 0.00 0.74 -1.16 0.00 0.00 179.01 178.74 2enk h PHE 24 N -1.00 0.00 -5.47 4.33 -1.00 -0.81 -3.47 116.94 109.52 2enk h PHE 24 Ca -0.01 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.61 2enk h PHE 24 Cb 0.25 0.00 0.11 0.00 3.61 0.00 0.00 35.95 39.92 2enk h PHE 24 CO -0.05 0.00 -0.53 0.00 -1.61 0.00 0.00 178.31 176.12 2enk n LEU 26 N -2.69 0.00 -4.89 0.00 4.77 -1.14 -5.03 117.00 108.02 2enk n LEU 26 Ca -0.05 -0.42 -0.26 0.00 -0.03 0.00 0.00 56.01 55.25 2enk n LEU 26 Cb 0.57 0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 2enk n LEU 26 CO 0.57 -0.15 -0.15 -0.54 -1.33 0.00 0.00 177.39 175.80 2enk s LYS 27 N -2.27 3.24 0.49 3.23 3.01 -1.26 -4.89 119.74 121.29 2enk s LYS 27 Ca 0.01 -0.69 0.23 0.00 -1.01 0.00 0.00 55.97 54.51 2enk s LYS 27 Cb -0.00 -2.85 1.29 0.00 -1.01 0.00 0.00 37.83 35.26 2enk s LYS 27 CO 0.01 0.51 2.05 0.66 0.51 0.00 0.00 175.35 179.09 2enk h SER 28 N 2.31 0.00 0.93 2.83 4.64 -2.01 -1.85 113.55 120.41 2enk h SER 28 Ca -0.48 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.70 2enk h SER 28 Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 2enk h SER 28 CO 0.67 0.14 -0.66 0.28 -0.87 0.00 0.00 176.83 176.39 2enk h SER 29 N 0.00 0.00 0.10 4.97 0.02 -1.99 -3.01 113.55 113.64 2enk h SER 29 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2enk h SER 29 Cb 0.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2enk h SER 29 CO 0.02 0.66 -0.05 0.44 -1.14 0.00 0.00 176.83 176.77 2enk h ASP 30 N 0.00 -0.11 -0.10 3.07 3.32 -1.74 -2.79 116.42 118.06 2enk h ASP 30 Ca -0.01 -0.44 0.04 0.00 0.02 0.00 0.00 57.03 56.64 2enk h ASP 30 Cb 1.31 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.85 2enk h ASP 30 CO 0.09 0.44 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.80 2enk h LEU 31 N -0.73 -0.55 -2.15 1.55 -0.00 -1.58 -0.19 115.31 111.67 2enk h LEU 31 Ca -0.01 0.09 0.07 0.00 -0.00 0.00 0.00 57.88 58.03 2enk h LEU 31 Cb 0.55 0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 41.45 2enk h LEU 31 CO 0.02 -0.23 0.21 1.05 -0.00 0.00 0.00 178.44 179.49 2enk h GLU 32 N -0.24 0.00 -0.06 1.13 4.11 -1.62 0.47 114.58 118.36 2enk h GLU 32 Ca 0.09 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.45 2enk h GLU 32 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2enk h GLU 32 CO -0.24 0.00 -0.28 0.37 0.07 0.00 0.00 179.01 178.94 2enk h GLN 33 N 0.00 0.11 -7.39 1.06 5.75 -0.74 -3.44 115.11 110.46 2enk h GLN 33 Ca 0.11 -0.04 -0.45 0.00 -0.15 0.00 0.00 58.65 58.12 2enk h GLN 33 Cb 0.53 -0.01 0.15 0.00 1.07 0.00 0.00 27.48 29.23 2enk h GLN 33 CO -0.00 0.39 0.21 -0.51 -2.65 0.00 0.00 178.83 176.27 2enk s LEU 34 N -8.45 1.61 0.23 -2.39 1.43 0.16 -4.95 118.68 106.32 2enk s LEU 34 Ca -0.04 1.11 -0.31 0.00 -1.03 0.00 0.00 54.13 53.86 2enk s LEU 34 Cb 0.15 -3.30 -0.11 0.00 0.03 0.00 0.00 46.19 42.96 2enk s LEU 34 CO 0.73 -3.08 1.57 -0.60 0.23 0.00 0.00 176.35 175.21 2enk s ARG 35 N -5.03 4.19 -0.44 1.70 3.52 -1.26 -4.97 118.95 116.65 2enk s ARG 35 Ca 0.65 2.45 -0.17 0.00 -0.13 0.00 0.00 55.73 58.53 2enk s ARG 35 Cb -0.18 -3.10 0.04 0.00 -1.56 0.00 0.00 34.95 30.15 2enk s ARG 35 CO 0.57 -0.59 0.45 0.15 -0.81 0.00 0.00 175.30 175.06 2enk s LYS 36 N 0.35 3.07 -0.12 5.12 1.02 -1.26 -4.70 119.74 123.22 2enk s LYS 36 Ca 0.66 -0.91 -0.03 0.00 0.02 0.00 0.00 55.97 55.72 2enk s LYS 36 Cb -0.45 -4.02 -0.03 0.00 -0.52 0.00 0.00 37.83 32.80 2enk s LYS 36 CO 0.39 -0.94 -0.00 0.42 -0.92 0.00 0.00 175.35 174.30 2enk s ILE 37 N 2.09 4.25 -0.23 2.17 1.09 -1.11 -4.98 121.20 124.48 2enk s ILE 37 Ca 0.10 -0.25 0.11 0.00 -1.10 0.00 0.00 60.65 59.51 2enk s ILE 37 Cb -0.19 -2.82 0.44 0.00 -1.06 0.00 0.00 42.46 38.83 2enk s ILE 37 CO 0.12 0.56 1.30 -1.14 -0.10 0.00 0.00 174.94 175.67 2enk n ARG 38 N 2.70 1.68 -2.22 2.79 0.63 -1.26 -1.31 116.66 119.68 2enk n ARG 38 Ca -0.18 -3.21 -0.15 0.00 -0.92 0.00 0.00 57.85 53.39 2enk n ARG 38 Cb 0.53 -1.68 -0.02 0.00 0.45 0.00 0.00 32.46 31.74 2enk n ARG 38 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2enk n ARG 39 N -1.13 -1.91 -2.98 -0.14 1.74 -1.26 -0.55 116.66 110.43 2enk n ARG 39 Ca 0.24 0.75 -0.22 0.00 -0.77 0.00 0.00 57.85 57.84 2enk n ARG 39 Cb 0.81 -5.30 0.03 0.00 -1.02 0.00 0.00 32.46 26.98 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 -2.68 -4.58 -3.27 5.56 0.63 -1.26 -3.20 116.66 107.86 2enk n ARG 40 Ca -0.17 0.91 -0.09 0.00 -0.92 0.00 0.00 57.85 57.58 2enk n ARG 40 Cb 0.60 -5.75 0.00 0.00 0.45 0.00 0.00 32.46 27.76 2enk n ARG 40 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2enk n SER 41 N -2.47 -6.90 0.27 6.15 2.88 0.29 -4.88 113.62 108.95 2enk n SER 41 Ca -0.12 -0.29 0.17 0.00 -1.33 0.00 0.00 58.87 57.30 2enk n SER 41 Cb 0.62 -4.17 0.69 0.00 -0.75 0.00 0.00 64.21 60.60 2enk n SER 41 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2enk h PRO 42 N 0.40 0.00 -2.46 -1.46 0.13 -1.68 -3.42 132.00 123.50 2enk h PRO 42 Ca -0.20 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.84 2enk h PRO 42 Cb 1.13 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.98 2enk h PRO 42 CO 0.31 0.00 -0.36 -1.01 -0.23 0.00 0.00 178.00 176.71 2enk s HIS 43 N -3.65 -0.82 0.55 1.56 3.76 -1.26 -5.17 115.29 110.26 2enk s HIS 43 Ca 0.01 1.53 0.06 0.00 -0.15 0.00 0.00 55.06 56.51 2enk s HIS 43 Cb 0.09 0.32 0.06 0.00 1.11 0.00 0.00 32.58 34.16 2enk s HIS 43 CO 0.52 -0.50 0.76 -1.21 -0.85 0.00 0.00 174.74 173.47 2enk s GLU 44 N 2.62 2.38 -1.77 1.40 8.01 -1.26 -4.44 118.70 125.64 2enk s GLU 44 Ca -0.01 -1.28 0.00 0.00 0.01 0.00 0.00 54.97 53.69 2enk s GLU 44 Cb -0.12 -2.59 0.00 0.00 -4.31 0.00 0.00 34.13 27.11 2enk s GLU 44 CO -0.13 -0.78 0.00 -0.25 0.01 0.00 0.00 175.26 174.11 2enk n ASP 45 N -2.26 -5.53 -3.73 -0.19 9.92 -1.26 -4.95 116.55 108.55 2enk n ASP 45 Ca 0.12 0.12 -0.13 0.00 -0.53 0.00 0.00 54.79 54.37 2enk n ASP 45 Cb 0.60 -4.67 -0.10 0.00 -0.64 0.00 0.00 41.12 36.31 2enk n ASP 45 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2enk s THR 46 N -2.91 -0.00 -0.25 -3.53 -4.23 -1.26 -4.75 115.64 98.71 2enk s THR 46 Ca 0.00 0.01 -0.33 0.00 -1.18 0.00 0.00 61.69 60.19 2enk s THR 46 Cb 0.00 -0.58 -0.10 0.00 1.34 0.00 0.00 72.50 73.16 2enk s THR 46 CO 0.00 0.00 2.12 1.21 -0.54 0.00 0.00 174.62 177.41 2enk n GLU 47 N 2.94 1.60 -2.47 3.99 2.13 -1.26 -4.95 120.64 122.61 2enk n GLU 47 Ca -0.14 0.49 -0.14 0.00 0.66 0.00 0.00 57.16 58.03 2enk n GLU 47 Cb 0.57 -2.72 0.03 0.00 0.27 0.00 0.00 31.44 29.59 2enk n GLU 47 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2enk n SER 48 N 9.54 1.57 -3.94 4.31 3.41 -1.26 -5.01 113.62 122.24 2enk n SER 48 Ca 0.33 -2.07 -0.11 0.00 -0.26 0.00 0.00 58.87 56.76 2enk n SER 48 Cb 0.31 -0.22 -0.07 0.00 -0.26 0.00 0.00 64.21 63.97 2enk n SER 48 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2enk s PHE 49 N -1.48 0.75 -0.16 7.33 -0.12 -1.26 -5.16 117.98 117.89 2enk s PHE 49 Ca 0.36 -1.04 -0.07 0.00 -0.05 0.00 0.00 56.93 56.13 2enk s PHE 49 Cb -0.03 -0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 2enk s PHE 49 CO 0.23 -0.90 0.07 0.99 -0.05 0.00 0.00 175.22 175.56 2enk s THR 50 N -3.91 4.89 0.09 -4.49 2.01 -1.26 -4.68 115.64 108.29 2enk s THR 50 Ca 0.29 -0.01 0.08 0.00 0.31 0.00 0.00 61.69 62.37 2enk s THR 50 Cb 0.02 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.32 2enk s THR 50 CO 0.12 0.51 -0.18 0.68 -0.69 0.00 0.00 174.62 175.07 2enk s VAL 51 N -0.11 2.83 0.31 3.82 -7.23 -0.42 -4.23 120.40 115.37 2enk s VAL 51 Ca 0.07 -1.38 0.09 0.00 -1.81 0.00 0.00 61.98 58.95 2enk s VAL 51 Cb -0.12 -2.26 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 2enk s VAL 51 CO 0.01 0.19 0.03 -0.31 -0.31 0.00 0.00 175.10 174.71 2enk s TYR 52 N -1.07 2.63 -0.07 2.82 2.02 -1.12 -2.77 117.35 119.81 2enk s TYR 52 Ca 0.17 -0.33 -0.23 0.00 -0.37 0.00 0.00 57.07 56.31 2enk s TYR 52 Cb -0.11 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 40.03 2enk s TYR 52 CO 0.08 0.51 0.67 -0.51 -1.57 0.00 0.00 175.55 174.74 2enk s LEU 53 N -3.72 4.32 0.32 -1.29 2.01 -1.26 -2.83 118.68 116.21 2enk s LEU 53 Ca 0.34 1.15 0.06 0.00 0.01 0.00 0.00 54.13 55.68 2enk s LEU 53 Cb -0.03 -3.04 0.71 0.00 0.01 0.00 0.00 46.19 43.84 2enk s LEU 53 CO 0.20 -0.09 1.83 -0.09 1.01 0.00 0.00 176.35 179.20 2enk h ARG 54 N 6.71 0.79 -0.13 1.70 2.43 -1.93 0.16 114.38 124.11 2enk h ARG 54 Ca -0.41 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 58.61 2enk h ARG 54 Cb 1.20 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 2enk h ARG 54 CO 0.75 0.52 -0.35 1.03 -1.51 0.00 0.00 179.97 180.41 2enk h SER 55 N 0.82 0.27 0.03 -3.80 0.87 -1.92 -1.74 113.55 108.07 2enk h SER 55 Ca 0.51 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.97 2enk h SER 55 Cb 0.72 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2enk h SER 55 CO -0.28 0.61 -0.02 0.44 -0.53 0.00 0.00 176.83 177.06 2enk h ASP 56 N 0.23 -0.04 -0.43 6.23 5.19 -1.21 -3.18 116.42 123.22 2enk h ASP 56 Ca 0.03 -0.64 0.03 0.00 -0.62 0.00 0.00 57.03 55.82 2enk h ASP 56 Cb 0.74 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.23 2enk h ASP 56 CO 0.06 0.66 0.29 0.58 -3.12 0.00 0.00 179.24 177.71 2enk h VAL 57 N -0.77 1.05 0.33 -1.35 2.07 -0.89 -2.21 116.25 114.48 2enk h VAL 57 Ca -0.00 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2enk h VAL 57 Cb 0.68 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2enk h VAL 57 CO 0.01 0.09 -0.22 -0.08 0.02 0.00 0.00 177.57 177.39 2enk h GLU 58 N 0.49 -0.52 -0.62 1.57 4.81 -1.36 -2.55 114.58 116.40 2enk h GLU 58 Ca 0.17 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 2enk h GLU 58 Cb 0.08 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2enk h GLU 58 CO -0.04 -0.34 0.35 0.00 -0.73 0.00 0.00 179.01 178.25 2enk h ALA 59 N 0.10 1.46 -0.09 2.92 0.00 -1.46 -1.44 119.26 120.75 2enk h ALA 59 Ca -0.03 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2enk h ALA 59 Cb 0.45 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2enk h ALA 59 CO 0.02 0.46 0.08 -0.22 0.00 0.00 0.00 179.25 179.59 2enk h LYS 60 N 0.85 0.00 0.00 0.00 1.63 -1.02 0.13 116.57 118.16 2enk h LYS 60 Ca 0.22 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.87 2enk h LYS 60 Cb 0.00 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 2enk h LYS 60 CO -0.04 0.00 -0.84 0.66 -3.45 0.00 0.00 179.45 175.78 2enk h SER 61 N 0.00 0.00 0.62 4.20 4.64 -0.89 -3.04 113.55 119.07 2enk h SER 61 Ca 0.04 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.09 2enk h SER 61 Cb 0.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 2enk h SER 61 CO -0.00 0.64 -1.40 -0.07 -0.87 0.00 0.00 176.83 175.13 2enk h LEU 62 N 0.00 0.22 -0.75 5.97 3.38 -0.84 -2.40 115.31 120.89 2enk h LEU 62 Ca -0.05 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 2enk h LEU 62 Cb 1.53 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 2enk h LEU 62 CO 0.07 1.24 -0.36 1.05 0.09 0.00 0.00 178.44 180.53 2enk h GLU 63 N 0.04 0.00 0.00 1.13 -0.00 -0.94 -0.95 114.58 113.86 2enk h GLU 63 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.18 2enk h GLU 63 Cb 1.95 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.70 2enk h GLU 63 CO 0.14 0.36 0.00 0.28 -0.00 0.00 0.00 179.01 179.80 2enk n VAL 64 N -3.42 0.00 0.29 -1.06 0.31 -1.15 -4.46 118.33 108.85 2enk n VAL 64 Ca 0.00 0.34 0.14 0.00 -0.01 0.00 0.00 64.34 64.82 2enk n VAL 64 Cb 0.54 -1.21 0.88 0.00 -0.91 0.00 0.00 33.84 33.14 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 -1.61 -3.46 115.95 118.46 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 -1.32 3.10 3.30 1.49 0.00 -0.36 -4.92 105.19 106.47 2enk n GLY 66 Ca -0.03 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 2enk n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2enk s SER 67 N 0.00 -0.13 0.51 1.61 0.01 -1.23 -4.69 113.70 109.78 2enk s SER 67 Ca 0.00 -0.45 0.32 0.00 1.31 0.00 0.00 55.95 57.14 2enk s SER 67 Cb 0.00 0.44 1.35 0.00 0.21 0.00 0.00 66.02 68.02 2enk s SER 67 CO 0.00 -0.83 1.95 1.55 0.41 0.00 0.00 173.24 176.32 2enk h PRO 68 N 2.47 0.00 -0.15 12.44 0.13 -1.91 -2.97 132.00 142.01 2enk h PRO 68 Ca -0.34 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.59 2enk h PRO 68 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2enk h PRO 68 CO 0.49 0.00 -0.73 0.93 -0.23 0.00 0.00 178.00 178.46 2enk h GLU 69 N 0.00 0.68 -0.95 0.86 5.08 -1.98 -1.91 114.58 116.36 2enk h GLU 69 Ca 0.00 -0.53 0.05 0.00 -1.00 0.00 0.00 59.36 57.88 2enk h GLU 69 Cb 0.47 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 2enk h GLU 69 CO 0.00 1.15 0.62 0.00 -1.00 0.00 0.00 179.01 179.78 2enk h ALA 70 N 0.70 1.42 0.13 3.43 0.00 -1.88 -2.40 119.26 120.67 2enk h ALA 70 Ca -0.04 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.54 2enk h ALA 70 Cb 1.34 -0.31 0.03 0.00 0.00 0.00 0.00 17.79 18.84 2enk h ALA 70 CO 0.14 0.46 -1.26 1.25 0.00 0.00 0.00 179.25 179.84 2enk h LEU 71 N 1.15 0.79 -2.03 0.00 5.85 -1.65 -3.23 115.31 116.19 2enk h LEU 71 Ca 0.39 -0.75 0.13 0.00 0.84 0.00 0.00 57.88 58.49 2enk h LEU 71 Cb 0.09 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 2enk h LEU 71 CO -0.14 1.57 0.37 0.00 -0.34 0.00 0.00 178.44 179.90 2enk h ALA 72 N 0.34 2.32 -0.63 1.25 0.00 -0.88 0.34 119.26 122.00 2enk h ALA 72 Ca -0.18 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.72 2enk h ALA 72 Cb 1.94 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.73 2enk h ALA 72 CO 0.24 -0.60 0.42 0.00 0.00 0.00 0.00 179.25 179.30 2enk h ARG 73 N 0.00 0.79 0.04 0.00 2.47 -1.46 -0.68 114.38 115.54 2enk h ARG 73 Ca 0.22 -0.05 -0.29 0.00 -1.26 0.00 0.00 59.98 58.60 2enk h ARG 73 Cb 0.95 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 29.06 2enk h ARG 73 CO -0.00 0.52 -1.55 0.93 0.56 0.00 0.00 179.97 180.43 2enk h GLU 74 N 0.82 0.09 -0.69 0.04 4.39 -1.14 -3.35 114.58 114.74 2enk h GLU 74 Ca 0.24 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.74 2enk h GLU 74 Cb -0.04 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 2enk h GLU 74 CO -0.06 0.81 0.21 0.87 -1.16 0.00 0.00 179.01 179.69 2enk h LYS 75 N 0.02 1.06 -0.09 2.33 1.79 -0.90 -2.88 116.57 117.90 2enk h LYS 75 Ca -0.23 -0.22 0.04 0.00 -2.18 0.00 0.00 60.65 58.06 2enk h LYS 75 Cb 1.97 -0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 32.42 2enk h LYS 75 CO 0.11 0.90 -0.16 -0.22 -1.08 0.00 0.00 179.45 179.00 2enk h LYS 76 N 1.02 -0.21 0.37 3.15 3.64 -1.27 0.65 116.57 123.92 2enk h LYS 76 Ca 0.22 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2enk h LYS 76 Cb 0.29 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2enk h LYS 76 CO -0.01 -0.14 -0.46 -0.07 -2.27 0.00 0.00 179.45 176.50 2enk h LEU 77 N -0.22 -1.30 -1.78 5.20 -0.00 -1.67 0.16 115.31 115.70 2enk h LEU 77 Ca 0.08 0.12 0.17 0.00 -0.00 0.00 0.00 57.88 58.24 2enk h LEU 77 Cb 0.34 0.45 -0.04 0.00 -0.00 0.00 0.00 40.66 41.40 2enk h LEU 77 CO -0.22 -0.60 0.48 0.03 -0.00 0.00 0.00 178.44 178.14 2enk h ARG 78 N -0.87 0.21 0.37 1.13 3.08 -1.34 0.48 114.38 117.44 2enk h ARG 78 Ca -0.03 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2enk h ARG 78 Cb 0.79 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2enk h ARG 78 CO -0.12 0.14 -0.18 -0.22 -1.07 0.00 0.00 179.97 178.52 2enk h LYS 79 N 0.22 -0.48 -0.20 0.04 3.64 0.22 -3.19 116.57 116.82 2enk h LYS 79 Ca 0.34 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.81 2enk h LYS 79 Cb 1.03 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2enk h LYS 79 CO -0.07 -0.20 0.16 0.93 -2.27 0.00 0.00 179.45 178.00 2enk h GLU 80 N -1.03 0.00 0.22 1.90 4.39 -0.20 -2.65 114.58 117.21 2enk h GLU 80 Ca -0.05 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.66 2enk h GLU 80 Cb 0.50 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 2enk h GLU 80 CO 0.08 0.00 -0.43 0.00 -1.16 0.00 0.00 179.01 177.50 2enk h ALA 81 N 1.87 -0.83 -0.89 3.43 0.00 -0.91 0.14 119.26 122.08 2enk h ALA 81 Ca 0.09 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2enk h ALA 81 Cb 0.41 0.69 -0.05 0.00 0.00 0.00 0.00 17.79 18.84 2enk h ALA 81 CO -0.00 -1.02 0.58 0.93 0.00 0.00 0.00 179.25 179.74 2enk h GLU 82 N -0.73 1.11 -0.63 0.00 5.08 -1.51 -2.32 114.58 115.57 2enk h GLU 82 Ca -0.00 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2enk h GLU 82 Cb 0.72 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 2enk h GLU 82 CO -0.19 0.73 0.40 0.82 -1.00 0.00 0.00 179.01 179.78 2enk h ILE 83 N 1.14 1.12 0.00 3.13 2.04 -1.29 -1.13 117.51 122.52 2enk h ILE 83 Ca 0.35 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 2enk h ILE 83 Cb -0.03 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.29 2enk h ILE 83 CO -0.11 0.15 -0.06 -0.33 0.00 0.00 0.00 178.15 177.80 2enk h GLU 84 N 0.81 0.00 0.08 2.37 5.08 -0.19 0.74 114.58 123.47 2enk h GLU 84 Ca 0.24 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 2enk h GLU 84 Cb -0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2enk h GLU 84 CO -0.07 0.06 -0.04 -0.92 -1.00 0.00 0.00 179.01 177.04 2enk h TYR 85 N 0.00 -0.11 -0.16 4.33 3.20 -0.92 -3.29 116.97 120.03 2enk h TYR 85 Ca -0.00 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.91 2enk h TYR 85 Cb 0.13 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2enk h TYR 85 CO 0.00 -0.07 0.16 0.07 -1.64 0.00 0.00 178.16 176.68 2enk h ARG 86 N -0.75 0.00 0.27 1.82 0.11 -1.22 -2.87 114.38 111.73 2enk h ARG 86 Ca -0.01 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 2enk h ARG 86 Cb 0.09 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 2enk h ARG 86 CO 0.02 0.00 -0.21 0.93 0.10 0.00 0.00 179.97 180.81 2enk h GLU 87 N 0.00 -0.45 -0.29 0.08 4.39 -0.95 0.15 114.58 117.51 2enk h GLU 87 Ca 0.07 0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.89 2enk h GLU 87 Cb 0.39 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2enk h GLU 87 CO -0.00 -0.30 0.27 0.07 -1.16 0.00 0.00 179.01 177.89 2enk h ARG 88 N -0.46 0.00 -0.14 2.33 0.11 -1.58 0.14 114.38 114.78 2enk h ARG 88 Ca -0.04 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.86 2enk h ARG 88 Cb 0.38 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.46 2enk h ARG 88 CO 0.01 0.00 -0.67 -0.07 0.10 0.00 0.00 179.97 179.34 2enk h LEU 89 N 0.00 0.63 0.10 0.08 3.38 -1.21 -2.82 115.31 115.47 2enk h LEU 89 Ca 0.14 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.74 2enk h LEU 89 Cb 0.67 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2enk h LEU 89 CO -0.00 1.13 -0.25 0.15 0.09 0.00 0.00 178.44 179.55 2enk h PHE 90 N 0.39 -0.68 0.00 1.13 3.04 0.14 -0.37 116.94 120.59 2enk h PHE 90 Ca -0.02 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 2enk h PHE 90 Cb 1.25 0.29 -0.01 0.00 2.56 0.00 0.00 35.95 40.04 2enk h PHE 90 CO 0.05 -0.35 -0.18 0.00 -2.02 0.00 0.00 178.31 175.81 2enk h ARG 91 N -0.45 0.00 0.00 1.11 3.08 -1.60 -1.55 114.38 114.97 2enk h ARG 91 Ca 0.03 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 2enk h ARG 91 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 2enk h ARG 91 CO -0.15 0.18 -0.35 -0.97 -1.07 0.00 0.00 179.97 177.60 2enk h ASN 92 N 0.00 0.00 0.30 7.04 -1.24 -1.03 -3.12 115.58 117.52 2enk h ASN 92 Ca -0.00 0.00 -0.33 0.00 0.71 0.00 0.00 56.30 56.67 2enk h ASN 92 Cb 0.32 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.38 2enk h ASN 92 CO 0.02 0.35 -1.64 1.56 -1.29 0.00 0.00 177.43 176.44 2enk h GLN 93 N 0.00 0.36 -3.01 6.67 1.08 -0.17 -3.51 115.11 116.53 2enk h GLN 93 Ca -0.00 -0.61 0.32 0.00 -1.45 0.00 0.00 58.65 56.90 2enk h GLN 93 Cb 0.81 0.23 -0.15 0.00 -0.05 0.00 0.00 27.48 28.32 2enk h GLN 93 CO 0.05 1.26 -0.95 1.63 -0.95 0.00 0.00 178.83 179.86 2enk n LYS 94 N -3.55 -2.83 0.08 1.46 5.02 -0.70 -4.59 118.16 113.04 2enk n LYS 94 Ca -0.21 2.22 -0.05 0.00 -2.02 0.00 0.00 58.31 58.25 2enk n LYS 94 Cb 1.07 -3.35 -0.08 0.00 -0.02 0.00 0.00 35.03 32.65 2enk n LYS 94 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2enk h ILE 95 N -1.23 1.53 -1.67 -0.18 6.09 -1.92 -3.49 117.51 116.64 2enk h ILE 95 Ca -0.12 -3.14 0.18 0.00 -1.37 0.00 0.00 64.86 60.41 2enk h ILE 95 Cb 1.20 2.74 -0.03 0.00 0.47 0.00 0.00 36.82 41.20 2enk h ILE 95 CO 0.05 0.87 0.47 -0.11 -3.07 0.00 0.00 178.15 176.36 2enk n LEU 96 N -3.33 0.00 -4.66 2.19 7.94 -1.26 -5.14 117.00 112.74 2enk n LEU 96 Ca 0.00 -0.21 -0.38 0.00 -1.11 0.00 0.00 56.01 54.32 2enk n LEU 96 Cb 0.89 0.96 -0.09 0.00 0.53 0.00 0.00 43.42 45.71 2enk n LEU 96 CO 0.45 -0.07 -0.03 -0.13 -1.11 0.00 0.00 177.39 176.51 2enk s ARG 97 N -2.01 4.11 -0.04 1.96 1.81 -1.26 -5.07 118.95 118.45 2enk s ARG 97 Ca 0.16 -0.03 -0.00 0.00 -1.72 0.00 0.00 55.73 54.14 2enk s ARG 97 Cb -0.00 -3.55 0.03 0.00 -0.45 0.00 0.00 34.95 30.97 2enk s ARG 97 CO -0.00 -0.03 0.01 -1.21 -0.68 0.00 0.00 175.30 173.38 2enk s GLU 98 N 1.30 0.33 0.55 3.54 0.41 -1.26 -5.10 118.70 118.47 2enk s GLU 98 Ca 0.13 0.11 0.00 0.00 -0.41 0.00 0.00 54.97 54.80 2enk s GLU 98 Cb -0.14 -0.58 0.00 0.00 -1.78 0.00 0.00 34.13 31.63 2enk s GLU 98 CO 0.07 -0.18 0.00 0.66 -0.49 0.00 0.00 175.26 175.32 2enk n TYR 99 N 4.43 -3.27 -0.75 1.61 4.02 -1.26 -4.79 117.16 117.15 2enk n TYR 99 Ca -0.21 1.40 -0.31 0.00 -0.01 0.00 0.00 57.90 58.77 2enk n TYR 99 Cb 0.50 -2.55 0.16 0.00 -0.02 0.00 0.00 39.34 37.43 2enk n TYR 99 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 2enk s ARG 100 N -1.79 1.08 0.00 -0.72 1.04 -1.26 -5.27 118.95 112.03 2enk s ARG 100 Ca 0.00 1.49 0.00 0.00 -1.04 0.00 0.00 55.73 56.18 2enk s ARG 100 Cb 0.00 -1.74 0.00 0.00 -2.04 0.00 0.00 34.95 31.17 2enk s ARG 100 CO 0.00 -2.57 0.00 -0.25 -0.04 0.00 0.00 175.30 172.44