#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 3.42 -4.37 1.61 3.41 -1.26 -4.99 113.62 111.44 2enk n SER 2 Ca 0.00 1.06 -0.26 0.00 -0.26 0.00 0.00 58.87 59.41 2enk n SER 2 Cb 0.00 -1.47 -0.12 0.00 -0.26 0.00 0.00 64.21 62.36 2enk n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2enk s SER 3 N 1.43 3.09 0.00 4.04 0.01 -1.26 -5.07 113.70 115.95 2enk s SER 3 Ca 0.80 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 57.26 2enk s SER 3 Cb -0.62 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.40 2enk s SER 3 CO 0.38 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.74 2enk n GLY 4 N 0.62 2.35 2.97 3.44 0.00 -1.26 -5.08 105.19 108.24 2enk n GLY 4 Ca -0.16 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 2enk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2enk s SER 5 N 0.00 3.23 0.69 1.61 0.15 -1.26 -5.07 113.70 113.05 2enk s SER 5 Ca 0.00 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.83 2enk s SER 5 Cb 0.00 -1.15 0.00 0.00 -1.71 0.00 0.00 66.02 63.16 2enk s SER 5 CO 0.00 -0.15 0.00 -1.54 1.20 0.00 0.00 173.24 172.75 2enk n SER 6 N 4.73 -7.14 0.00 5.45 3.41 -1.26 -4.98 113.62 113.83 2enk n SER 6 Ca -0.14 0.70 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 2enk n SER 6 Cb 0.47 -1.98 0.00 0.00 -0.26 0.00 0.00 64.21 62.44 2enk n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2enk n GLY 7 N -1.92 -3.07 3.48 5.00 0.00 -1.26 -5.08 105.19 102.34 2enk n GLY 7 Ca 0.00 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 2enk n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2enk s LYS 8 N -5.15 1.51 -1.11 1.61 2.47 -1.26 -5.09 119.74 112.72 2enk s LYS 8 Ca 0.00 -1.41 -0.20 0.00 -1.56 0.00 0.00 55.97 52.80 2enk s LYS 8 Cb 0.00 0.42 0.08 0.00 -1.46 0.00 0.00 37.83 36.87 2enk s LYS 8 CO 0.00 -0.60 1.50 0.71 0.16 0.00 0.00 175.35 177.11 2enk s TYR 9 N -3.93 2.78 -0.24 4.03 1.51 -1.26 -4.90 117.35 115.34 2enk s TYR 9 Ca 0.27 -1.29 -0.20 0.00 -1.01 0.00 0.00 57.07 54.85 2enk s TYR 9 Cb 0.01 -4.63 0.07 0.00 -0.11 0.00 0.00 41.96 37.30 2enk s TYR 9 CO 0.11 -1.79 0.63 0.95 -1.11 0.00 0.00 175.55 174.35 2enk s THR 10 N 4.11 -0.00 0.44 -0.71 -4.23 -1.26 -5.15 115.64 108.83 2enk s THR 10 Ca 0.46 0.01 -0.25 0.00 -1.18 0.00 0.00 61.69 60.73 2enk s THR 10 Cb 0.00 -0.89 -0.08 0.00 1.34 0.00 0.00 72.50 72.87 2enk s THR 10 CO -0.03 0.00 1.35 -1.10 -0.54 0.00 0.00 174.62 174.30 2enk s GLN 11 N 0.71 3.79 -0.28 3.99 -1.52 -1.26 -5.02 119.66 120.07 2enk s GLN 11 Ca -0.03 2.26 -0.17 0.00 -1.95 0.00 0.00 55.36 55.47 2enk s GLN 11 Cb -0.05 -2.67 0.11 0.00 -0.22 0.00 0.00 33.01 30.18 2enk s GLN 11 CO -0.05 -0.68 0.84 1.21 -0.25 0.00 0.00 175.29 176.37 2enk s ASN 12 N -0.68 -0.71 0.46 5.90 2.47 -1.26 -5.03 114.94 116.10 2enk s ASN 12 Ca 0.60 1.15 0.16 0.00 0.42 0.00 0.00 52.86 55.19 2enk s ASN 12 Cb -0.40 1.28 1.13 0.00 -1.45 0.00 0.00 41.25 41.80 2enk s ASN 12 CO 0.51 -0.18 2.01 -1.13 -3.72 0.00 0.00 177.10 174.59 2enk h ASN 13 N 6.31 0.25 -3.05 -4.21 -0.73 -1.98 -3.41 115.58 108.75 2enk h ASN 13 Ca -0.29 0.00 -0.65 0.00 1.87 0.00 0.00 56.30 57.24 2enk h ASN 13 Cb 1.21 -0.05 -0.08 0.00 0.27 0.00 0.00 38.32 39.66 2enk h ASN 13 CO 0.17 0.15 -0.56 -0.36 -0.37 0.00 0.00 177.43 176.46 2enk s PHE 14 N -5.28 3.33 -0.04 0.67 0.40 -1.26 -3.59 117.98 112.20 2enk s PHE 14 Ca -0.07 0.21 0.06 0.00 -0.60 0.00 0.00 56.93 56.53 2enk s PHE 14 Cb 0.19 -1.73 -0.01 0.00 0.51 0.00 0.00 43.02 41.98 2enk s PHE 14 CO 0.74 0.56 -0.21 -1.50 0.70 0.00 0.00 175.22 175.51 2enk s ILE 15 N -1.28 1.75 0.83 0.64 2.07 -0.74 -4.88 121.20 119.60 2enk s ILE 15 Ca 0.26 -0.91 -0.12 0.00 -1.41 0.00 0.00 60.65 58.47 2enk s ILE 15 Cb -0.12 -1.48 0.10 0.00 0.13 0.00 0.00 42.46 41.08 2enk s ILE 15 CO 0.17 0.49 1.17 -0.89 -1.91 0.00 0.00 174.94 173.97 2enk s THR 16 N -0.15 2.25 0.00 4.00 2.01 -1.26 -2.44 115.64 120.05 2enk s THR 16 Ca -0.01 0.10 -0.12 0.00 0.31 0.00 0.00 61.69 61.96 2enk s THR 16 Cb -0.12 -2.37 -0.07 0.00 0.01 0.00 0.00 72.50 69.96 2enk s THR 16 CO 0.02 -0.09 0.83 1.23 -0.69 0.00 0.00 174.62 175.92 2enk h GLY 17 N -1.23 -0.45 0.47 4.40 0.00 -1.96 -2.28 103.07 102.01 2enk h GLY 17 Ca -0.45 0.17 0.21 0.00 0.00 0.00 0.00 47.33 47.26 2enk h GLY 17 CO 0.45 -0.17 0.55 -0.24 0.00 0.00 0.00 176.54 177.14 2enk h VAL 18 N -0.61 0.64 -0.37 4.60 3.04 -1.93 0.23 116.25 121.84 2enk h VAL 18 Ca -0.04 -0.03 -0.12 0.00 -1.01 0.00 0.00 66.70 65.49 2enk h VAL 18 Cb 0.33 0.55 -0.01 0.00 -2.01 0.00 0.00 31.29 30.15 2enk h VAL 18 CO 0.07 0.02 -0.26 0.03 -1.01 0.00 0.00 177.57 176.41 2enk h ARG 19 N 0.08 0.76 0.08 4.17 2.47 -1.93 -2.01 114.38 118.00 2enk h ARG 19 Ca 0.38 -0.33 -0.25 0.00 -1.26 0.00 0.00 59.98 58.52 2enk h ARG 19 Cb 1.37 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.66 2enk h ARG 19 CO -0.04 0.94 -1.15 0.00 0.56 0.00 0.00 179.97 180.29 2enk h ALA 20 N 1.04 0.19 0.00 0.04 0.00 -0.07 -2.16 119.26 118.30 2enk h ALA 20 Ca 0.08 -0.89 -0.06 0.00 0.00 0.00 0.00 54.91 54.04 2enk h ALA 20 Cb 0.78 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2enk h ALA 20 CO 0.06 1.07 -0.27 0.82 0.00 0.00 0.00 179.25 180.94 2enk h ILE 21 N 0.05 0.74 0.03 0.00 2.04 -0.80 0.20 117.51 119.77 2enk h ILE 21 Ca -0.09 -1.14 -0.32 0.00 1.00 0.00 0.00 64.86 64.31 2enk h ILE 21 Cb 1.90 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 39.65 2enk h ILE 21 CO 0.18 0.26 -1.84 0.59 0.00 0.00 0.00 178.15 177.34 2enk n ASN 22 N -3.56 1.19 -0.05 1.72 3.02 -0.77 -2.69 115.26 114.12 2enk n ASN 22 Ca -0.01 0.32 -0.01 0.00 -0.03 0.00 0.00 54.58 54.86 2enk n ASN 22 Cb 0.41 -0.23 -0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 0.02 0.00 0.00 3.52 4.39 -1.28 -3.35 114.58 117.88 2enk h GLU 23 Ca -0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.35 2enk h GLU 23 Cb 2.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.68 2enk h GLU 23 CO 0.08 0.00 0.00 0.74 -1.16 0.00 0.00 179.01 178.67 2enk h PHE 24 N -0.99 0.00 -5.63 4.33 -1.00 -0.83 -3.48 116.94 109.34 2enk h PHE 24 Ca 0.00 0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.50 2enk h PHE 24 Cb 0.07 0.00 0.17 0.00 3.61 0.00 0.00 35.95 39.80 2enk h PHE 24 CO -0.03 0.00 -0.85 0.00 -1.61 0.00 0.00 178.31 175.82 2enk n LEU 26 N -3.39 0.00 -4.79 0.00 4.77 -1.16 -5.03 117.00 107.40 2enk n LEU 26 Ca -0.07 -0.57 -0.26 0.00 -0.03 0.00 0.00 56.01 55.08 2enk n LEU 26 Cb 0.61 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 2enk n LEU 26 CO 0.61 -0.30 -0.22 -0.54 -1.33 0.00 0.00 177.39 175.60 2enk s LYS 27 N -2.44 2.85 0.46 3.23 1.02 -1.26 -4.90 119.74 118.70 2enk s LYS 27 Ca 0.06 -0.93 0.13 0.00 0.02 0.00 0.00 55.97 55.24 2enk s LYS 27 Cb -0.00 -2.60 1.07 0.00 -0.52 0.00 0.00 37.83 35.78 2enk s LYS 27 CO 0.04 0.47 2.08 0.77 -0.92 0.00 0.00 175.35 177.78 2enk h SER 28 N 2.30 0.25 0.62 2.83 0.02 -2.01 -0.45 113.55 117.11 2enk h SER 28 Ca -0.48 -0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.39 2enk h SER 28 Cb 1.21 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 2enk h SER 28 CO 0.62 0.17 -0.40 0.28 -1.14 0.00 0.00 176.83 176.37 2enk h SER 29 N 0.29 0.00 -0.02 3.07 0.02 -2.00 -2.89 113.55 112.02 2enk h SER 29 Ca 0.12 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2enk h SER 29 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2enk h SER 29 CO -0.02 0.40 -0.06 0.44 -1.14 0.00 0.00 176.83 176.44 2enk h ASP 30 N 0.00 0.09 0.06 3.07 5.19 -1.49 -2.81 116.42 120.54 2enk h ASP 30 Ca -0.00 -0.62 0.02 0.00 -0.62 0.00 0.00 57.03 55.81 2enk h ASP 30 Cb 0.81 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.26 2enk h ASP 30 CO 0.05 0.69 -0.24 -0.07 -3.12 0.00 0.00 179.24 176.55 2enk h LEU 31 N -0.50 -0.69 -1.91 1.55 -0.00 -1.45 -1.11 115.31 111.19 2enk h LEU 31 Ca -0.00 0.09 0.11 0.00 -0.00 0.00 0.00 57.88 58.08 2enk h LEU 31 Cb 0.68 0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 41.59 2enk h LEU 31 CO 0.01 -0.32 0.32 1.05 -0.00 0.00 0.00 178.44 179.51 2enk h GLU 32 N -0.41 0.10 0.00 1.13 4.11 -1.61 0.94 114.58 118.85 2enk h GLU 32 Ca 0.05 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.46 2enk h GLU 32 Cb 0.46 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2enk h GLU 32 CO -0.18 0.07 -0.07 0.37 0.07 0.00 0.00 179.01 179.27 2enk h GLN 33 N 0.10 0.00 -7.58 1.06 4.15 -0.92 -3.43 115.11 108.49 2enk h GLN 33 Ca 0.22 0.00 -0.47 0.00 0.77 0.00 0.00 58.65 59.17 2enk h GLN 33 Cb 0.72 0.00 0.11 0.00 0.21 0.00 0.00 27.48 28.52 2enk h GLN 33 CO -0.02 0.07 0.38 -0.51 -1.93 0.00 0.00 178.83 176.82 2enk s LEU 34 N -8.19 2.42 0.20 -2.39 1.43 0.32 -4.98 118.68 107.49 2enk s LEU 34 Ca -0.04 0.85 -0.31 0.00 -1.03 0.00 0.00 54.13 53.60 2enk s LEU 34 Cb 0.15 -3.33 -0.11 0.00 0.03 0.00 0.00 46.19 42.94 2enk s LEU 34 CO 0.62 -2.02 1.59 -0.60 0.23 0.00 0.00 176.35 176.17 2enk s ARG 35 N -5.49 4.19 -0.52 1.70 3.52 -1.26 -4.96 118.95 116.13 2enk s ARG 35 Ca 0.62 2.43 -0.15 0.00 -0.13 0.00 0.00 55.73 58.50 2enk s ARG 35 Cb -0.12 -3.12 0.12 0.00 -1.56 0.00 0.00 34.95 30.27 2enk s ARG 35 CO 0.50 -0.62 0.46 0.15 -0.81 0.00 0.00 175.30 174.99 2enk s LYS 36 N 0.79 2.93 -0.10 5.12 1.02 -1.26 -4.72 119.74 123.51 2enk s LYS 36 Ca 0.69 -1.65 -0.24 0.00 0.02 0.00 0.00 55.97 54.79 2enk s LYS 36 Cb -0.45 -4.23 -0.03 0.00 -0.52 0.00 0.00 37.83 32.60 2enk s LYS 36 CO 0.35 -1.26 0.72 0.42 -0.92 0.00 0.00 175.35 174.66 2enk s ILE 37 N 1.58 5.00 -0.40 2.17 1.09 -1.19 -5.01 121.20 124.44 2enk s ILE 37 Ca 0.03 1.46 -0.12 0.00 -1.10 0.00 0.00 60.65 60.92 2enk s ILE 37 Cb -0.29 -4.05 0.04 0.00 -1.06 0.00 0.00 42.46 37.10 2enk s ILE 37 CO 0.03 0.18 0.26 -0.13 -0.10 0.00 0.00 174.94 175.18 2enk s ARG 38 N 1.24 2.85 0.53 2.79 1.81 -1.26 -3.60 118.95 123.32 2enk s ARG 38 Ca 0.37 -1.14 0.08 0.00 -1.72 0.00 0.00 55.73 53.32 2enk s ARG 38 Cb -0.17 -3.85 0.05 0.00 -0.45 0.00 0.00 34.95 30.53 2enk s ARG 38 CO 0.16 -0.78 0.62 1.03 -0.68 0.00 0.00 175.30 175.65 2enk s ARG 39 N 1.58 2.38 -0.09 3.54 0.52 -1.26 -5.11 118.95 120.50 2enk s ARG 39 Ca 0.03 -1.68 -0.09 0.00 -0.52 0.00 0.00 55.73 53.47 2enk s ARG 39 Cb -0.20 -2.49 -0.04 0.00 0.52 0.00 0.00 34.95 32.73 2enk s ARG 39 CO 0.07 -0.66 0.21 1.03 0.02 0.00 0.00 175.30 175.97 2enk s ARG 40 N -4.47 3.59 -0.13 3.54 1.81 -1.26 -5.08 118.95 116.94 2enk s ARG 40 Ca 0.53 -0.00 -0.33 0.00 -1.72 0.00 0.00 55.73 54.20 2enk s ARG 40 Cb -0.05 -3.21 0.13 0.00 -0.45 0.00 0.00 34.95 31.37 2enk s ARG 40 CO 0.33 0.74 1.13 -1.54 -0.68 0.00 0.00 175.30 175.27 2enk s SER 41 N -0.98 -0.19 -0.76 0.23 1.04 -1.26 -5.10 113.70 106.69 2enk s SER 41 Ca 0.17 -0.01 -0.25 0.00 0.48 0.00 0.00 55.95 56.33 2enk s SER 41 Cb -0.13 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.16 2enk s SER 41 CO 0.06 -0.34 1.91 -2.16 0.98 0.00 0.00 173.24 173.69 2enk s PRO 42 N -2.60 2.59 -0.08 4.02 0.04 -1.26 -4.94 135.00 132.77 2enk s PRO 42 Ca 0.09 0.15 -0.29 0.00 0.04 0.00 0.00 61.00 60.99 2enk s PRO 42 Cb -0.01 -4.73 -0.06 0.00 0.04 0.00 0.00 34.50 29.74 2enk s PRO 42 CO -0.06 -3.07 1.85 -1.01 0.04 0.00 0.00 177.00 174.76 2enk s HIS 43 N 9.61 1.61 0.00 0.56 3.76 -1.26 -4.60 115.29 124.98 2enk s HIS 43 Ca 0.69 0.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.66 2enk s HIS 43 Cb -0.10 -4.06 0.00 0.00 1.11 0.00 0.00 32.58 29.54 2enk s HIS 43 CO 0.10 -4.36 0.00 -1.91 -0.85 0.00 0.00 174.74 167.71 2enk n GLU 44 N 7.64 0.00 -0.00 1.40 2.13 -1.26 -5.02 120.64 125.52 2enk n GLU 44 Ca 0.20 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 58.02 2enk n GLU 44 Cb 0.43 -0.01 -0.00 0.00 0.27 0.00 0.00 31.44 32.13 2enk n GLU 44 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2enk h ASP 45 N 0.00 0.00 -3.13 4.31 3.32 -2.03 -3.44 116.42 115.45 2enk h ASP 45 Ca 0.00 0.00 -0.72 0.00 0.02 0.00 0.00 57.03 56.33 2enk h ASP 45 Cb 0.00 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.34 2enk h ASP 45 CO 0.00 0.03 -0.11 0.42 -1.72 0.00 0.00 179.24 177.86 2enk s THR 46 N -1.04 5.05 0.46 0.35 -4.23 -1.26 -4.92 115.64 110.05 2enk s THR 46 Ca -0.00 -1.06 0.13 0.00 -1.18 0.00 0.00 61.69 59.58 2enk s THR 46 Cb 0.00 -4.31 0.30 0.00 1.34 0.00 0.00 72.50 69.82 2enk s THR 46 CO 0.00 -0.85 2.06 -0.08 -0.54 0.00 0.00 174.62 175.21 2enk h GLU 47 N 8.95 0.30 -3.14 3.99 4.22 -1.97 -3.25 114.58 123.69 2enk h GLU 47 Ca -0.29 -0.02 -0.64 0.00 0.08 0.00 0.00 59.36 58.49 2enk h GLU 47 Cb 1.10 -0.07 -0.40 0.00 0.50 0.00 0.00 28.75 29.88 2enk h GLU 47 CO 1.00 0.20 -0.45 0.45 -2.18 0.00 0.00 179.01 178.03 2enk s SER 48 N -6.62 5.14 0.40 1.04 0.15 -1.26 -5.04 113.70 107.51 2enk s SER 48 Ca -0.07 -3.84 -0.15 0.00 0.70 0.00 0.00 55.95 52.60 2enk s SER 48 Cb 0.18 -1.71 -0.08 0.00 -1.71 0.00 0.00 66.02 62.70 2enk s SER 48 CO 0.72 -0.11 0.82 0.12 1.20 0.00 0.00 173.24 175.99 2enk s PHE 49 N -1.45 3.41 -0.30 3.44 5.36 -1.23 -5.07 117.98 122.14 2enk s PHE 49 Ca 0.26 1.26 -0.04 0.00 -0.96 0.00 0.00 56.93 57.45 2enk s PHE 49 Cb -0.05 -2.59 0.18 0.00 -0.34 0.00 0.00 43.02 40.22 2enk s PHE 49 CO -0.16 -0.09 0.68 0.99 -1.46 0.00 0.00 175.22 175.19 2enk s THR 50 N -2.26 -0.89 0.16 0.12 2.01 -1.26 -4.98 115.64 108.55 2enk s THR 50 Ca 0.55 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.53 2enk s THR 50 Cb -0.10 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.36 2enk s THR 50 CO 0.24 0.00 0.36 0.68 -0.69 0.00 0.00 174.62 175.21 2enk s VAL 51 N 2.87 5.22 0.45 3.82 -7.23 -1.24 -4.28 120.40 120.00 2enk s VAL 51 Ca 0.15 -0.24 0.03 0.00 -1.81 0.00 0.00 61.98 60.12 2enk s VAL 51 Cb -0.14 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.08 2enk s VAL 51 CO -0.19 -0.06 0.03 -0.31 -0.31 0.00 0.00 175.10 174.26 2enk s TYR 52 N -1.75 2.05 -0.22 2.82 2.02 -1.02 -3.19 117.35 118.06 2enk s TYR 52 Ca 0.39 -0.92 -0.11 0.00 -0.37 0.00 0.00 57.07 56.06 2enk s TYR 52 Cb -0.12 -1.56 -0.05 0.00 -0.40 0.00 0.00 41.96 39.84 2enk s TYR 52 CO 0.27 0.19 0.16 -0.51 -1.57 0.00 0.00 175.55 174.09 2enk s LEU 53 N -3.75 4.16 0.58 -1.29 2.01 -1.26 -1.78 118.68 117.34 2enk s LEU 53 Ca 0.20 0.18 0.27 0.00 0.01 0.00 0.00 54.13 54.79 2enk s LEU 53 Cb 0.05 -2.12 1.64 0.00 0.01 0.00 0.00 46.19 45.77 2enk s LEU 53 CO 0.10 0.11 2.14 -0.09 1.01 0.00 0.00 176.35 179.62 2enk h ARG 54 N 7.14 0.00 0.03 1.70 2.43 -1.89 0.06 114.38 123.85 2enk h ARG 54 Ca -0.39 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.56 2enk h ARG 54 Cb 1.16 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 2enk h ARG 54 CO 0.70 0.00 -0.99 1.03 -1.51 0.00 0.00 179.97 179.20 2enk h SER 55 N 0.00 0.20 -0.00 -3.80 0.87 -1.93 -2.87 113.55 106.02 2enk h SER 55 Ca 0.06 -0.19 -0.06 0.00 -1.23 0.00 0.00 61.79 60.37 2enk h SER 55 Cb 0.33 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2enk h SER 55 CO -0.00 1.07 -0.22 0.44 -0.53 0.00 0.00 176.83 177.59 2enk h ASP 56 N 0.06 0.20 0.01 6.23 5.19 -1.45 -3.25 116.42 123.40 2enk h ASP 56 Ca -0.05 -0.77 -0.01 0.00 -0.62 0.00 0.00 57.03 55.58 2enk h ASP 56 Cb 1.68 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 41.13 2enk h ASP 56 CO 0.15 0.95 -0.02 0.58 -3.12 0.00 0.00 179.24 177.77 2enk h VAL 57 N -0.52 1.05 -0.06 -1.35 2.07 -1.30 -2.60 116.25 113.55 2enk h VAL 57 Ca -0.03 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.34 2enk h VAL 57 Cb 0.98 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 2enk h VAL 57 CO 0.04 0.06 -0.15 -0.08 0.02 0.00 0.00 177.57 177.46 2enk h GLU 58 N 0.06 -0.21 -0.35 1.57 4.81 -1.54 -2.21 114.58 116.70 2enk h GLU 58 Ca 0.01 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 2enk h GLU 58 Cb 0.08 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2enk h GLU 58 CO 0.00 -0.14 -0.17 0.00 -0.73 0.00 0.00 179.01 177.97 2enk h ALA 59 N 0.77 1.04 -0.27 2.92 0.00 -1.57 -2.57 119.26 119.58 2enk h ALA 59 Ca 0.07 -0.33 0.08 0.00 0.00 0.00 0.00 54.91 54.73 2enk h ALA 59 Cb 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2enk h ALA 59 CO -0.19 0.58 0.27 -0.22 0.00 0.00 0.00 179.25 179.69 2enk h LYS 60 N 0.59 0.00 0.00 0.00 1.63 -1.04 0.23 116.57 117.97 2enk h LYS 60 Ca 0.09 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.74 2enk h LYS 60 Cb 0.62 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.23 2enk h LYS 60 CO 0.04 0.00 -0.91 0.66 -3.45 0.00 0.00 179.45 175.80 2enk h SER 61 N 0.00 0.00 0.68 4.20 4.64 -1.04 -3.09 113.55 118.95 2enk h SER 61 Ca 0.13 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.18 2enk h SER 61 Cb 0.66 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 2enk h SER 61 CO -0.00 0.64 -1.24 -0.07 -0.87 0.00 0.00 176.83 175.29 2enk h LEU 62 N 0.00 0.32 -0.71 5.97 3.38 -0.60 -2.09 115.31 121.58 2enk h LEU 62 Ca -0.06 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 2enk h LEU 62 Cb 1.54 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 2enk h LEU 62 CO 0.07 1.28 -0.37 1.05 0.09 0.00 0.00 178.44 180.56 2enk h GLU 63 N 0.06 0.00 0.00 1.13 -0.00 -1.14 -0.87 114.58 113.76 2enk h GLU 63 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.23 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 0.18 0.37 0.00 0.28 -0.00 0.00 0.00 179.01 179.84 2enk n VAL 64 N -3.40 0.00 0.29 -1.06 0.31 -1.17 -4.44 118.33 108.86 2enk n VAL 64 Ca 0.01 0.35 0.14 0.00 -0.01 0.00 0.00 64.34 64.82 2enk n VAL 64 Cb 0.56 -1.20 0.85 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 -1.56 -3.46 115.95 118.51 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 0.02 0.00 0.41 -3.56 0.00 0.00 178.44 175.31 2enk n GLY 66 N -1.27 3.09 3.35 1.49 0.00 -0.33 -4.93 105.19 106.60 2enk n GLY 66 Ca -0.03 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.29 0.54 1.61 0.01 -1.22 -4.69 113.70 109.65 2enk s SER 67 Ca 0.00 -0.28 0.34 0.00 1.31 0.00 0.00 55.95 57.31 2enk s SER 67 Cb 0.00 0.51 1.39 0.00 0.21 0.00 0.00 66.02 68.13 2enk s SER 67 CO 0.00 -0.89 1.98 1.55 0.41 0.00 0.00 173.24 176.29 2enk h PRO 68 N 2.28 0.00 -0.04 12.44 0.13 -1.90 -2.87 132.00 142.04 2enk h PRO 68 Ca -0.33 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.62 2enk h PRO 68 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2enk h PRO 68 CO 0.44 0.00 -0.74 0.93 -0.23 0.00 0.00 178.00 178.40 2enk h GLU 69 N 0.00 0.25 -0.13 0.86 5.08 -1.98 -2.48 114.58 116.18 2enk h GLU 69 Ca 0.00 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2enk h GLU 69 Cb 0.48 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2enk h GLU 69 CO 0.00 0.88 0.03 0.00 -1.00 0.00 0.00 179.01 178.91 2enk h ALA 70 N 1.06 0.17 -0.39 3.43 0.00 -1.86 -2.96 119.26 118.70 2enk h ALA 70 Ca -0.03 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2enk h ALA 70 Cb 1.31 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2enk h ALA 70 CO 0.12 -0.19 -0.15 1.25 0.00 0.00 0.00 179.25 180.28 2enk h LEU 71 N -0.00 0.70 -2.23 0.00 5.85 -1.62 -2.53 115.31 115.48 2enk h LEU 71 Ca 0.04 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.59 2enk h LEU 71 Cb 0.27 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2enk h LEU 71 CO 0.00 0.86 0.16 0.00 -0.34 0.00 0.00 178.44 179.13 2enk h ALA 72 N 1.20 1.83 -0.51 1.25 0.00 -1.32 -0.66 119.26 121.04 2enk h ALA 72 Ca 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2enk h ALA 72 Cb 0.61 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2enk h ALA 72 CO 0.04 -0.24 0.31 0.00 0.00 0.00 0.00 179.25 179.36 2enk h ARG 73 N 0.00 0.69 0.00 0.00 2.47 -1.29 -0.38 114.38 115.86 2enk h ARG 73 Ca 0.08 -0.05 -0.17 0.00 -1.26 0.00 0.00 59.98 58.57 2enk h ARG 73 Cb 0.39 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 2enk h ARG 73 CO -0.00 0.48 -1.25 0.93 0.56 0.00 0.00 179.97 180.69 2enk h GLU 74 N 0.70 0.00 -0.20 0.04 4.39 -1.28 -3.35 114.58 114.89 2enk h GLU 74 Ca 0.18 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.73 2enk h GLU 74 Cb -0.03 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2enk h GLU 74 CO -0.04 0.39 -0.53 0.87 -1.16 0.00 0.00 179.01 178.55 2enk h LYS 75 N 0.00 0.57 -0.29 2.33 1.57 -0.89 -2.99 116.57 116.87 2enk h LYS 75 Ca -0.14 -0.35 0.05 0.00 -1.87 0.00 0.00 60.65 58.34 2enk h LYS 75 Cb 1.61 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.94 2enk h LYS 75 CO 0.06 0.96 0.20 -0.22 -0.57 0.00 0.00 179.45 179.88 2enk h LYS 76 N 0.45 0.17 0.30 3.15 3.64 -1.21 -0.36 116.57 122.70 2enk h LYS 76 Ca 0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2enk h LYS 76 Cb 1.07 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2enk h LYS 76 CO 0.10 0.11 -0.14 -0.07 -2.27 0.00 0.00 179.45 177.18 2enk h LEU 77 N 0.18 -0.34 -2.19 5.20 -0.00 -1.68 0.13 115.31 116.61 2enk h LEU 77 Ca 0.13 0.01 0.05 0.00 -0.00 0.00 0.00 57.88 58.07 2enk h LEU 77 Cb 0.29 0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.03 2enk h LEU 77 CO -0.02 -0.21 0.14 0.08 -0.00 0.00 0.00 178.44 178.43 2enk h ARG 78 N -0.46 0.00 0.43 1.13 0.11 -1.60 -0.74 114.38 113.25 2enk h ARG 78 Ca -0.04 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.02 2enk h ARG 78 Cb 0.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.39 2enk h ARG 78 CO 0.07 0.00 -0.21 -0.22 0.10 0.00 0.00 179.97 179.71 2enk h LYS 79 N 0.00 -0.55 -0.09 0.08 3.64 -0.96 -3.20 116.57 115.49 2enk h LYS 79 Ca 0.07 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2enk h LYS 79 Cb 0.36 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2enk h LYS 79 CO -0.00 -0.35 0.08 0.93 -2.27 0.00 0.00 179.45 177.84 2enk h GLU 80 N -1.14 0.00 0.29 1.90 4.39 -0.45 -2.65 114.58 116.93 2enk h GLU 80 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2enk h GLU 80 Cb 0.46 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 2enk h GLU 80 CO 0.10 0.00 -0.32 0.00 -1.16 0.00 0.00 179.01 177.63 2enk h ALA 81 N 1.93 -0.66 -0.44 3.43 0.00 -1.15 -0.79 119.26 121.58 2enk h ALA 81 Ca 0.04 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2enk h ALA 81 Cb 0.19 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2enk h ALA 81 CO -0.00 -0.91 0.20 0.93 0.00 0.00 0.00 179.25 179.48 2enk h GLU 82 N -0.65 0.40 -0.44 0.00 5.08 -1.47 -2.34 114.58 115.16 2enk h GLU 82 Ca -0.01 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 2enk h GLU 82 Cb 0.60 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 2enk h GLU 82 CO -0.08 0.26 0.06 0.82 -1.00 0.00 0.00 179.01 179.07 2enk h ILE 83 N 0.41 0.73 0.00 3.13 2.04 -1.40 0.13 117.51 122.55 2enk h ILE 83 Ca 0.19 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 2enk h ILE 83 Cb 0.12 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 2enk h ILE 83 CO -0.15 0.03 -0.01 -0.33 0.00 0.00 0.00 178.15 177.69 2enk h GLU 84 N 0.18 0.00 0.03 2.37 5.08 -0.69 0.20 114.58 121.76 2enk h GLU 84 Ca 0.22 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2enk h GLU 84 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2enk h GLU 84 CO -0.31 0.01 -0.01 -0.92 -1.00 0.00 0.00 179.01 176.77 2enk h TYR 85 N 0.00 -0.04 -0.03 4.33 3.20 -0.41 -3.33 116.97 120.70 2enk h TYR 85 Ca -0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 2enk h TYR 85 Cb 0.02 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 2enk h TYR 85 CO 0.00 -0.02 0.07 0.07 -1.64 0.00 0.00 178.16 176.63 2enk h ARG 86 N -0.71 0.00 -0.79 1.82 -0.00 -0.80 -1.75 114.38 112.16 2enk h ARG 86 Ca -0.00 0.00 0.23 0.00 -0.00 0.00 0.00 59.98 60.21 2enk h ARG 86 Cb 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 29.97 2enk h ARG 86 CO 0.01 0.00 0.57 0.93 -0.00 0.00 0.00 179.97 181.48 2enk h GLU 87 N 0.00 0.00 0.04 0.08 4.39 -0.70 0.23 114.58 118.62 2enk h GLU 87 Ca 0.01 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.46 2enk h GLU 87 Cb 0.15 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 2enk h GLU 87 CO -0.00 0.00 -1.30 0.07 -1.16 0.00 0.00 179.01 176.62 2enk h ARG 88 N 0.00 0.09 -0.86 2.33 0.11 -1.49 -3.31 114.38 111.24 2enk h ARG 88 Ca 0.38 -0.15 0.15 0.00 0.10 0.00 0.00 59.98 60.46 2enk h ARG 88 Cb 1.52 0.05 -0.07 0.00 1.11 0.00 0.00 29.97 32.58 2enk h ARG 88 CO -0.00 0.94 0.56 -0.07 0.10 0.00 0.00 179.97 181.49 2enk h LEU 89 N 0.02 0.57 -1.12 0.08 3.38 -0.65 0.02 115.31 117.61 2enk h LEU 89 Ca -0.14 0.04 0.08 0.00 0.09 0.00 0.00 57.88 57.95 2enk h LEU 89 Cb 1.90 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 42.51 2enk h LEU 89 CO 0.13 0.28 0.60 -0.26 0.09 0.00 0.00 178.44 179.29 2enk h PHE 90 N 0.60 1.06 -0.09 1.13 -1.00 -1.62 -1.04 116.94 115.97 2enk h PHE 90 Ca 0.43 0.03 -0.16 0.00 2.81 0.00 0.00 57.97 61.08 2enk h PHE 90 Cb 0.79 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 40.00 2enk h PHE 90 CO -0.00 0.51 -0.62 -0.09 -1.61 0.00 0.00 178.31 176.50 2enk h ARG 91 N 1.00 0.34 -1.09 1.51 9.65 -1.19 -3.14 114.38 121.46 2enk h ARG 91 Ca 0.42 -0.24 -0.63 0.00 -1.10 0.00 0.00 59.98 58.44 2enk h ARG 91 Cb 0.31 0.04 -0.27 0.00 -1.39 0.00 0.00 29.97 28.66 2enk h ARG 91 CO -0.18 0.85 0.82 -1.71 2.80 0.00 0.00 179.97 182.55 2enk n ASN 92 N -3.88 7.54 -1.69 -3.80 5.15 -0.45 -4.44 115.26 113.69 2enk n ASN 92 Ca -0.03 -3.69 -0.17 0.00 -0.60 0.00 0.00 54.58 50.09 2enk n ASN 92 Cb 0.63 -0.99 0.07 0.00 -0.53 0.00 0.00 39.78 38.96 2enk n ASN 92 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2enk n GLN 93 N -0.73 3.11 -3.52 1.20 7.27 -0.89 -4.96 117.38 118.86 2enk n GLN 93 Ca 0.58 -3.94 -0.12 0.00 0.07 0.00 0.00 57.00 53.60 2enk n GLN 93 Cb 0.64 -2.12 -0.04 0.00 2.41 0.00 0.00 30.24 31.13 2enk n GLN 93 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2enk s LYS 94 N -3.52 0.86 0.34 3.69 1.02 -1.26 -5.04 119.74 115.83 2enk s LYS 94 Ca 0.48 -0.06 0.08 0.00 0.02 0.00 0.00 55.97 56.50 2enk s LYS 94 Cb 0.40 0.40 0.61 0.00 -0.52 0.00 0.00 37.83 38.73 2enk s LYS 94 CO 0.01 -0.32 1.81 0.97 -0.92 0.00 0.00 175.35 176.90 2enk h ILE 95 N 2.40 1.25 -3.08 2.17 6.09 -1.96 -3.49 117.51 120.89 2enk h ILE 95 Ca -0.23 -1.16 0.37 0.00 -1.37 0.00 0.00 64.86 62.46 2enk h ILE 95 Cb 1.20 1.45 -0.10 0.00 0.47 0.00 0.00 36.82 39.84 2enk h ILE 95 CO 0.34 0.35 -0.57 -0.11 -3.07 0.00 0.00 178.15 175.09 2enk n LEU 96 N -4.15 -0.70 0.00 2.19 7.94 -1.26 -4.97 117.00 116.05 2enk n LEU 96 Ca -0.01 1.56 -0.31 0.00 -1.11 0.00 0.00 56.01 56.14 2enk n LEU 96 Cb 0.37 -4.23 -0.06 0.00 0.53 0.00 0.00 43.42 40.03 2enk n LEU 96 CO 0.40 -3.53 -0.22 -2.11 -1.11 0.00 0.00 177.39 170.82 2enk n ARG 97 N -4.06 0.83 -3.20 1.96 0.00 -1.26 -5.15 116.66 105.78 2enk n ARG 97 Ca -0.00 -3.51 0.04 0.00 -0.00 0.00 0.00 57.85 54.38 2enk n ARG 97 Cb 0.66 0.92 -0.03 0.00 -0.00 0.00 0.00 32.46 34.02 2enk n ARG 97 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2enk s GLU 98 N -3.75 0.13 0.55 2.89 2.12 -1.26 -5.15 118.70 114.22 2enk s GLU 98 Ca 0.01 0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.61 2enk s GLU 98 Cb -0.00 0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.55 2enk s GLU 98 CO 0.01 -0.10 0.00 0.66 -0.54 0.00 0.00 175.26 175.29 2enk n TYR 99 N 5.15 -3.42 -4.03 5.30 4.01 -1.26 -4.97 117.16 117.94 2enk n TYR 99 Ca -0.08 1.55 -0.08 0.00 -0.16 0.00 0.00 57.90 59.14 2enk n TYR 99 Cb 0.54 -2.84 -0.10 0.00 -0.31 0.00 0.00 39.34 36.63 2enk n TYR 99 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2enk s ARG 100 N -1.92 0.48 0.00 -0.72 0.52 -1.26 -5.30 118.95 110.74 2enk s ARG 100 Ca 0.00 -0.93 0.00 0.00 -0.52 0.00 0.00 55.73 54.28 2enk s ARG 100 Cb 0.00 0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.64 2enk s ARG 100 CO 0.00 -0.09 0.00 -0.25 0.02 0.00 0.00 175.30 174.98