#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 -0.31 -0.29 1.61 1.04 -1.26 -5.13 113.70 109.35 2enk s SER 2 Ca 0.00 -0.06 -0.16 0.00 0.48 0.00 0.00 55.95 56.20 2enk s SER 2 Cb 0.00 1.44 0.17 0.00 0.10 0.00 0.00 66.02 67.73 2enk s SER 2 CO 0.00 -0.33 1.09 -0.94 0.98 0.00 0.00 173.24 174.04 2enk s SER 3 N 2.65 -0.35 0.00 7.02 1.04 -1.26 -5.15 113.70 117.64 2enk s SER 3 Ca 0.11 0.54 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2enk s SER 3 Cb -0.12 1.23 0.00 0.00 0.10 0.00 0.00 66.02 67.22 2enk s SER 3 CO -0.27 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.48 2enk n GLY 4 N 3.85 0.79 2.54 7.32 0.00 -1.26 -5.01 105.19 113.42 2enk n GLY 4 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 2enk n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2enk n SER 5 N 0.00 1.48 -3.70 1.61 2.88 -1.26 -5.04 113.62 109.59 2enk n SER 5 Ca 0.00 -2.84 -0.29 0.00 -1.33 0.00 0.00 58.87 54.41 2enk n SER 5 Cb 0.00 -0.55 -0.16 0.00 -0.75 0.00 0.00 64.21 62.75 2enk n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2enk s SER 6 N -2.97 3.46 0.00 -3.46 1.04 -1.26 -5.10 113.70 105.40 2enk s SER 6 Ca 0.31 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.52 2enk s SER 6 Cb 0.43 -0.66 0.00 0.00 0.10 0.00 0.00 66.02 65.89 2enk s SER 6 CO -0.00 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.46 2enk n GLY 7 N 5.01 1.86 2.91 7.32 0.00 -1.26 -5.09 105.19 115.94 2enk n GLY 7 Ca -0.06 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.52 0.00 1.61 4.76 -1.26 -5.03 118.16 115.72 2enk n LYS 8 Ca 0.00 2.16 0.00 0.00 -2.87 0.00 0.00 58.31 57.60 2enk n LYS 8 Cb 0.00 -4.97 0.00 0.00 -1.84 0.00 0.00 35.03 28.22 2enk n LYS 8 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2enk n TYR 9 N 0.05 0.00 -2.75 2.13 4.02 -1.26 -4.93 117.16 114.42 2enk n TYR 9 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 2enk n TYR 9 Cb 0.37 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.74 2enk n TYR 9 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 2enk n THR 10 N -2.12 0.91 -2.91 -0.72 -1.04 -1.26 -5.04 114.28 102.10 2enk n THR 10 Ca 0.00 -2.35 -0.09 0.00 -2.04 0.00 0.00 64.05 59.56 2enk n THR 10 Cb 0.00 1.21 0.01 0.00 -1.82 0.00 0.00 70.33 69.73 2enk n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2enk n GLN 11 N -0.49 -2.26 -0.68 -2.82 6.02 -1.26 -4.95 117.38 110.94 2enk n GLN 11 Ca 0.04 2.02 -0.32 0.00 -0.01 0.00 0.00 57.00 58.73 2enk n GLN 11 Cb 0.86 -5.47 0.17 0.00 1.02 0.00 0.00 30.24 26.82 2enk n GLN 11 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2enk n ASN 12 N -0.44 -2.27 -0.06 1.08 0.23 -1.26 -4.96 115.26 107.58 2enk n ASN 12 Ca 0.09 -0.04 -0.03 0.00 -0.53 0.00 0.00 54.58 54.07 2enk n ASN 12 Cb 0.48 -1.02 -0.13 0.00 -2.08 0.00 0.00 39.78 37.02 2enk n ASN 12 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2enk n ASN 13 N -1.83 0.92 -4.91 0.53 4.13 -1.26 -4.97 115.26 107.86 2enk n ASN 13 Ca 0.02 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.95 2enk n ASN 13 Cb 0.60 1.17 -0.04 0.00 -1.54 0.00 0.00 39.78 39.97 2enk n ASN 13 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2enk s PHE 14 N -2.65 3.54 0.03 3.10 0.40 -1.26 -4.38 117.98 116.76 2enk s PHE 14 Ca -0.08 0.32 0.07 0.00 -0.60 0.00 0.00 56.93 56.64 2enk s PHE 14 Cb 0.07 -1.81 -0.03 0.00 0.51 0.00 0.00 43.02 41.76 2enk s PHE 14 CO 0.70 0.62 -0.18 -1.50 0.70 0.00 0.00 175.22 175.56 2enk s ILE 15 N -1.40 2.82 0.91 0.64 2.07 -1.19 -5.01 121.20 120.04 2enk s ILE 15 Ca 0.30 -1.11 -0.11 0.00 -1.41 0.00 0.00 60.65 58.32 2enk s ILE 15 Cb -0.13 -2.17 0.14 0.00 0.13 0.00 0.00 42.46 40.43 2enk s ILE 15 CO 0.22 0.38 1.09 -0.89 -1.91 0.00 0.00 174.94 173.84 2enk s THR 16 N -0.89 2.62 -0.00 4.00 2.01 -1.26 -2.68 115.64 119.44 2enk s THR 16 Ca 0.14 0.20 -0.03 0.00 0.31 0.00 0.00 61.69 62.31 2enk s THR 16 Cb -0.10 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.79 2enk s THR 16 CO 0.04 -0.26 0.55 1.23 -0.69 0.00 0.00 174.62 175.49 2enk h GLY 17 N -1.63 -0.12 0.42 4.40 0.00 -1.94 -2.86 103.07 101.34 2enk h GLY 17 Ca -0.49 0.05 0.23 0.00 0.00 0.00 0.00 47.33 47.11 2enk h GLY 17 CO 0.52 -0.04 0.57 -0.24 0.00 0.00 0.00 176.54 177.35 2enk h VAL 18 N -0.21 0.61 -0.47 4.60 3.04 -1.95 0.23 116.25 122.10 2enk h VAL 18 Ca -0.01 -0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.60 2enk h VAL 18 Cb 0.09 0.60 -0.02 0.00 -2.01 0.00 0.00 31.29 29.95 2enk h VAL 18 CO 0.02 0.00 0.01 0.03 -1.01 0.00 0.00 177.57 176.62 2enk h ARG 19 N 0.01 0.78 0.00 4.17 2.47 -1.95 -1.68 114.38 118.18 2enk h ARG 19 Ca 0.38 -0.20 -0.19 0.00 -1.26 0.00 0.00 59.98 58.70 2enk h ARG 19 Cb 1.49 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 29.69 2enk h ARG 19 CO -0.01 0.78 -0.91 0.00 0.56 0.00 0.00 179.97 180.39 2enk h ALA 20 N 1.28 0.42 0.00 0.04 0.00 -0.35 -2.30 119.26 118.35 2enk h ALA 20 Ca 0.14 -0.82 -0.08 0.00 0.00 0.00 0.00 54.91 54.15 2enk h ALA 20 Cb 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2enk h ALA 20 CO 0.02 1.13 -0.37 0.82 0.00 0.00 0.00 179.25 180.85 2enk h ILE 21 N 0.00 0.82 0.00 0.00 2.04 -0.99 0.10 117.51 119.49 2enk h ILE 21 Ca -0.01 -1.55 -0.19 0.00 1.00 0.00 0.00 64.86 64.10 2enk h ILE 21 Cb 1.69 1.97 -0.03 0.00 -0.74 0.00 0.00 36.82 39.71 2enk h ILE 21 CO 0.12 0.36 -1.64 0.59 0.00 0.00 0.00 178.15 177.58 2enk n ASN 22 N -3.46 0.66 -0.06 1.72 3.02 -0.66 -2.76 115.26 113.71 2enk n ASN 22 Ca 0.00 0.29 -0.03 0.00 -0.03 0.00 0.00 54.58 54.81 2enk n ASN 22 Cb 0.53 0.43 -0.01 0.00 -0.61 0.00 0.00 39.78 40.11 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 5.08 -1.35 -3.37 114.58 118.46 2enk h GLU 23 Ca -0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2enk h GLU 23 Cb 1.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.92 2enk h GLU 23 CO 0.04 0.00 0.00 0.74 -1.00 0.00 0.00 179.01 178.79 2enk h PHE 24 N -0.98 0.00 -5.51 4.33 -1.00 -1.02 -3.47 116.94 109.29 2enk h PHE 24 Ca 0.00 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.57 2enk h PHE 24 Cb 0.38 0.00 0.14 0.00 3.61 0.00 0.00 35.95 40.08 2enk h PHE 24 CO -0.16 0.00 -0.66 0.00 -1.61 0.00 0.00 178.31 175.88 2enk n LEU 26 N -2.94 0.00 -4.89 0.00 4.77 -1.19 -5.04 117.00 107.71 2enk n LEU 26 Ca -0.06 -1.06 -0.31 0.00 -0.03 0.00 0.00 56.01 54.55 2enk n LEU 26 Cb 0.59 0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.66 2enk n LEU 26 CO 0.58 -0.32 -0.17 -0.54 -1.33 0.00 0.00 177.39 175.61 2enk s LYS 27 N -2.77 3.35 0.56 3.23 1.02 -1.26 -4.89 119.74 118.98 2enk s LYS 27 Ca 0.08 -0.47 0.24 0.00 0.02 0.00 0.00 55.97 55.85 2enk s LYS 27 Cb -0.01 -2.99 1.61 0.00 -0.52 0.00 0.00 37.83 35.92 2enk s LYS 27 CO 0.05 0.61 2.22 0.77 -0.92 0.00 0.00 175.35 178.08 2enk h SER 28 N 3.20 0.00 1.10 2.83 0.02 -2.00 -0.35 113.55 118.35 2enk h SER 28 Ca -0.46 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.37 2enk h SER 28 Cb 1.16 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 2enk h SER 28 CO 0.74 0.00 -0.58 0.77 -1.14 0.00 0.00 176.83 176.62 2enk h SER 29 N 0.00 0.00 -0.03 3.07 4.64 -2.00 -3.08 113.55 116.15 2enk h SER 29 Ca -0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2enk h SER 29 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2enk h SER 29 CO 0.00 0.58 -0.24 0.44 -0.87 0.00 0.00 176.83 176.74 2enk h ASP 30 N 0.00 0.26 0.08 4.97 3.32 -1.47 -2.93 116.42 120.66 2enk h ASP 30 Ca -0.01 -0.69 0.02 0.00 0.02 0.00 0.00 57.03 56.37 2enk h ASP 30 Cb 1.28 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.73 2enk h ASP 30 CO 0.07 0.91 -0.18 -0.07 -1.72 0.00 0.00 179.24 178.26 2enk h LEU 31 N -0.36 -0.50 -2.09 1.55 -0.00 -1.53 -1.30 115.31 111.09 2enk h LEU 31 Ca -0.02 0.06 0.07 0.00 -0.00 0.00 0.00 57.88 57.99 2enk h LEU 31 Cb 0.92 0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.76 2enk h LEU 31 CO 0.05 -0.25 0.20 1.05 -0.00 0.00 0.00 178.44 179.49 2enk h GLU 32 N -0.33 0.00 0.00 1.13 4.11 -1.64 0.45 114.58 118.29 2enk h GLU 32 Ca 0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.43 2enk h GLU 32 Cb 0.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2enk h GLU 32 CO -0.11 0.00 -0.15 0.37 0.07 0.00 0.00 179.01 179.19 2enk h GLN 33 N 0.00 0.00 -7.45 1.06 4.15 -1.03 -3.43 115.11 108.40 2enk h GLN 33 Ca 0.12 0.00 -0.42 0.00 0.77 0.00 0.00 58.65 59.12 2enk h GLN 33 Cb 0.53 0.00 0.19 0.00 0.21 0.00 0.00 27.48 28.41 2enk h GLN 33 CO -0.00 0.15 0.16 -0.51 -1.93 0.00 0.00 178.83 176.70 2enk s LEU 34 N -8.25 0.88 -0.50 -2.39 1.43 0.15 -4.90 118.68 105.10 2enk s LEU 34 Ca -0.04 0.55 -0.27 0.00 -1.03 0.00 0.00 54.13 53.34 2enk s LEU 34 Cb 0.15 -2.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 2enk s LEU 34 CO 0.66 -4.03 1.78 -0.60 0.23 0.00 0.00 176.35 174.39 2enk s ARG 35 N -5.49 2.97 -0.68 1.70 3.52 -1.26 -4.90 118.95 114.80 2enk s ARG 35 Ca 0.72 0.90 -0.26 0.00 -0.13 0.00 0.00 55.73 56.96 2enk s ARG 35 Cb -0.08 -4.28 -0.08 0.00 -1.56 0.00 0.00 34.95 28.94 2enk s ARG 35 CO 0.56 -2.31 2.24 0.15 -0.81 0.00 0.00 175.30 175.13 2enk s LYS 36 N 6.34 2.08 -0.05 5.12 1.02 -1.26 -4.73 119.74 128.26 2enk s LYS 36 Ca 0.70 0.68 -0.30 0.00 0.02 0.00 0.00 55.97 57.07 2enk s LYS 36 Cb -0.16 -4.70 -0.05 0.00 -0.52 0.00 0.00 37.83 32.39 2enk s LYS 36 CO 0.26 -3.62 1.60 0.42 -0.92 0.00 0.00 175.35 173.10 2enk s ILE 37 N 12.26 3.60 -0.75 2.17 -1.09 -1.03 -4.87 121.20 131.49 2enk s ILE 37 Ca 0.86 0.78 0.17 0.00 -2.23 0.00 0.00 60.65 60.23 2enk s ILE 37 Cb -0.13 -3.50 -0.19 0.00 -1.58 0.00 0.00 42.46 37.05 2enk s ILE 37 CO 0.14 -0.06 0.70 0.54 -1.23 0.00 0.00 174.94 175.04 2enk n ARG 38 N 6.82 1.26 -2.79 2.79 5.12 -1.26 -2.85 116.66 125.74 2enk n ARG 38 Ca 0.17 -0.01 -0.01 0.00 -1.93 0.00 0.00 57.85 56.06 2enk n ARG 38 Cb 0.43 -1.32 -0.01 0.00 -1.16 0.00 0.00 32.46 30.40 2enk n ARG 38 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2enk n ARG 39 N -1.46 -3.09 -1.47 5.56 1.74 -1.26 -4.82 116.66 111.86 2enk n ARG 39 Ca 0.03 2.53 0.19 0.00 -0.77 0.00 0.00 57.85 59.83 2enk n ARG 39 Cb 0.28 -4.42 -0.06 0.00 -1.02 0.00 0.00 32.46 27.24 2enk n ARG 39 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2enk n ARG 40 N 1.07 -3.06 -3.05 5.56 3.00 -1.26 -4.84 116.66 114.07 2enk n ARG 40 Ca -0.08 2.15 -0.18 0.00 -0.01 0.00 0.00 57.85 59.74 2enk n ARG 40 Cb 0.20 -3.70 -0.03 0.00 0.00 0.00 0.00 32.46 28.93 2enk n ARG 40 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2enk n SER 41 N -4.33 -1.13 -2.98 0.55 7.64 -1.26 -5.14 113.62 106.97 2enk n SER 41 Ca -0.01 -2.85 -0.14 0.00 1.01 0.00 0.00 58.87 56.88 2enk n SER 41 Cb 0.68 0.30 0.11 0.00 -1.01 0.00 0.00 64.21 64.29 2enk n SER 41 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2enk n PRO 42 N 1.80 -1.98 -2.28 1.43 -0.04 -1.26 -4.97 135.00 127.70 2enk n PRO 42 Ca 0.18 -0.79 -0.36 0.00 -0.04 0.00 0.00 63.50 62.50 2enk n PRO 42 Cb 0.56 -0.74 0.02 0.00 -0.04 0.00 0.00 33.50 33.29 2enk n PRO 42 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2enk n HIS 43 N -3.57 3.16 0.00 0.54 -0.00 -1.26 -4.68 115.22 109.40 2enk n HIS 43 Ca 0.07 -2.72 0.00 0.00 0.46 0.00 0.00 57.72 55.53 2enk n HIS 43 Cb 0.27 -0.84 0.00 0.00 -0.12 0.00 0.00 29.99 29.29 2enk n HIS 43 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2enk n GLU 44 N -0.42 0.00 -2.84 1.57 1.02 -1.26 -5.11 120.64 113.60 2enk n GLU 44 Ca 0.47 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.54 2enk n GLU 44 Cb 0.36 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.79 2enk n GLU 44 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2enk n ASP 45 N -1.85 -7.88 -0.08 1.62 -0.08 -1.26 -4.98 116.55 102.02 2enk n ASP 45 Ca 0.00 0.78 -0.09 0.00 -1.51 0.00 0.00 54.79 53.97 2enk n ASP 45 Cb 0.00 -5.20 -0.13 0.00 2.34 0.00 0.00 41.12 38.14 2enk n ASP 45 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2enk n THR 46 N 0.03 1.14 -3.98 5.18 5.66 -1.26 -4.92 114.28 116.14 2enk n THR 46 Ca 0.07 -0.68 -0.34 0.00 -3.05 0.00 0.00 64.05 60.05 2enk n THR 46 Cb 0.33 -0.61 -0.15 0.00 -1.55 0.00 0.00 70.33 68.35 2enk n THR 46 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2enk s GLU 47 N -2.40 3.22 -0.44 1.09 2.56 -1.26 -5.08 118.70 116.40 2enk s GLU 47 Ca -0.10 -0.71 -0.29 0.00 0.00 0.00 0.00 54.97 53.87 2enk s GLU 47 Cb 0.05 -2.86 0.02 0.00 2.00 0.00 0.00 34.13 33.33 2enk s GLU 47 CO 0.66 -0.21 1.32 -1.12 -0.56 0.00 0.00 175.26 175.35 2enk s SER 48 N 1.41 6.43 0.08 -1.70 0.01 -1.26 -5.00 113.70 113.67 2enk s SER 48 Ca 0.05 0.69 0.05 0.00 1.31 0.00 0.00 55.95 58.05 2enk s SER 48 Cb -0.14 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 2enk s SER 48 CO -0.07 -1.38 -0.14 -0.36 0.41 0.00 0.00 173.24 171.71 2enk s PHE 49 N 5.11 1.23 -0.30 2.43 0.40 -1.26 -5.14 117.98 120.45 2enk s PHE 49 Ca 0.57 -0.48 -0.04 0.00 -0.60 0.00 0.00 56.93 56.37 2enk s PHE 49 Cb -0.11 -0.68 0.17 0.00 0.51 0.00 0.00 43.02 42.90 2enk s PHE 49 CO 0.32 0.06 0.62 0.99 0.70 0.00 0.00 175.22 177.91 2enk s THR 50 N -1.44 -1.00 0.50 0.64 2.01 -1.26 -4.73 115.64 110.36 2enk s THR 50 Ca -0.00 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.03 2enk s THR 50 Cb -0.09 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.46 2enk s THR 50 CO 0.02 -0.00 0.28 1.33 -0.69 0.00 0.00 174.62 175.56 2enk n VAL 51 N 5.44 0.00 -4.22 3.82 0.24 -1.13 -4.48 118.33 117.99 2enk n VAL 51 Ca -0.05 -2.07 -0.12 0.00 -2.04 0.00 0.00 64.34 60.06 2enk n VAL 51 Cb 0.50 0.07 -0.10 0.00 -1.47 0.00 0.00 33.84 32.84 2enk n VAL 51 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2enk s TYR 52 N -2.56 1.10 -0.01 6.34 2.02 -1.09 -2.46 117.35 120.68 2enk s TYR 52 Ca 0.21 -0.91 -0.29 0.00 -0.37 0.00 0.00 57.07 55.72 2enk s TYR 52 Cb -0.02 -0.61 -0.03 0.00 -0.40 0.00 0.00 41.96 40.90 2enk s TYR 52 CO 0.13 -0.11 0.92 -1.17 -1.57 0.00 0.00 175.55 173.76 2enk s LEU 53 N -3.12 4.36 0.48 -1.29 1.98 -1.26 -3.16 118.68 116.68 2enk s LEU 53 Ca 0.17 1.57 0.22 0.00 -2.89 0.00 0.00 54.13 53.20 2enk s LEU 53 Cb 0.05 -3.47 1.25 0.00 0.66 0.00 0.00 46.19 44.67 2enk s LEU 53 CO -0.01 -0.22 1.93 -0.09 -1.89 0.00 0.00 176.35 176.07 2enk h ARG 54 N 6.75 0.20 -0.04 1.98 1.12 -1.92 0.79 114.38 123.26 2enk h ARG 54 Ca -0.41 -0.01 -0.21 0.00 -1.11 0.00 0.00 59.98 58.23 2enk h ARG 54 Cb 1.22 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 31.13 2enk h ARG 54 CO 0.75 0.13 -0.87 0.77 -3.11 0.00 0.00 179.97 177.64 2enk h SER 55 N 0.20 0.56 0.53 -3.80 0.02 -1.92 -2.92 113.55 106.22 2enk h SER 55 Ca 0.35 -0.42 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 2enk h SER 55 Cb 1.08 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 63.46 2enk h SER 55 CO -0.07 1.20 -0.25 0.44 -1.14 0.00 0.00 176.83 177.01 2enk h ASP 56 N 0.27 -0.60 -0.90 3.07 3.32 -1.26 -2.90 116.42 117.42 2enk h ASP 56 Ca -0.06 -0.06 0.15 0.00 0.02 0.00 0.00 57.03 57.08 2enk h ASP 56 Cb 1.48 0.15 -0.07 0.00 0.22 0.00 0.00 39.33 41.12 2enk h ASP 56 CO 0.15 -0.28 0.58 0.58 -1.72 0.00 0.00 179.24 178.55 2enk h VAL 57 N -0.93 0.83 0.40 -1.35 2.07 -1.44 -0.82 116.25 114.99 2enk h VAL 57 Ca -0.07 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2enk h VAL 57 Cb 0.62 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2enk h VAL 57 CO 0.12 0.13 -0.43 -0.08 0.02 0.00 0.00 177.57 177.32 2enk h GLU 58 N 0.70 -0.82 -0.73 1.57 4.81 -1.40 -2.15 114.58 116.56 2enk h GLU 58 Ca 0.45 0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.71 2enk h GLU 58 Cb 0.73 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 2enk h GLU 58 CO -0.21 -0.55 0.35 0.00 -0.73 0.00 0.00 179.01 177.87 2enk h ALA 59 N -0.54 1.25 -0.27 2.92 0.00 -1.23 -1.83 119.26 119.57 2enk h ALA 59 Ca -0.04 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.81 2enk h ALA 59 Cb 0.77 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2enk h ALA 59 CO -0.09 0.58 0.27 -0.22 0.00 0.00 0.00 179.25 179.79 2enk h LYS 60 N 1.03 0.00 0.00 0.00 1.63 -0.75 0.22 116.57 118.70 2enk h LYS 60 Ca 0.25 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.90 2enk h LYS 60 Cb 0.10 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.71 2enk h LYS 60 CO -0.03 0.00 -0.91 1.03 -3.45 0.00 0.00 179.45 176.09 2enk h SER 61 N 0.00 0.00 0.68 4.20 0.87 -0.69 -3.09 113.55 115.52 2enk h SER 61 Ca 0.13 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.42 2enk h SER 61 Cb 0.67 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2enk h SER 61 CO -0.00 0.64 -1.24 -0.07 -0.53 0.00 0.00 176.83 175.64 2enk h LEU 62 N 0.00 0.33 -0.71 2.23 3.38 -0.53 -2.07 115.31 117.94 2enk h LEU 62 Ca -0.06 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 2enk h LEU 62 Cb 1.55 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 2enk h LEU 62 CO 0.07 1.29 -0.37 1.05 0.09 0.00 0.00 178.44 180.57 2enk h GLU 63 N 0.06 0.00 0.00 1.13 -0.00 -1.15 -0.86 114.58 113.76 2enk h GLU 63 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.24 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 0.55 -1.20 0.86 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 -1.55 -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 -1.25 3.12 3.29 1.49 0.00 -0.33 -4.93 105.19 106.58 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 -0.10 0.41 1.61 1.04 -1.23 -4.67 113.70 110.77 2enk s SER 67 Ca 0.00 -0.48 0.29 0.00 0.48 0.00 0.00 55.95 56.25 2enk s SER 67 Cb 0.00 0.43 1.21 0.00 0.10 0.00 0.00 66.02 67.76 2enk s SER 67 CO 0.00 -0.82 1.86 1.55 0.98 0.00 0.00 173.24 176.81 2enk h PRO 68 N 2.50 0.00 -0.01 4.02 0.13 -1.90 -2.80 132.00 133.94 2enk h PRO 68 Ca -0.34 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.65 2enk h PRO 68 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2enk h PRO 68 CO 0.50 0.00 -0.69 1.49 -0.23 0.00 0.00 178.00 179.07 2enk h GLU 69 N 0.00 0.03 -0.34 0.86 4.57 -1.98 -2.07 114.58 115.66 2enk h GLU 69 Ca 0.00 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 2enk h GLU 69 Cb 0.43 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2enk h GLU 69 CO 0.00 0.70 0.06 0.00 -1.18 0.00 0.00 179.01 178.59 2enk h ALA 70 N 1.29 0.44 -0.06 2.92 0.00 -1.85 -2.95 119.26 119.04 2enk h ALA 70 Ca -0.01 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.51 2enk h ALA 70 Cb 1.21 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2enk h ALA 70 CO 0.09 0.14 -0.76 1.25 0.00 0.00 0.00 179.25 179.97 2enk h LEU 71 N 0.39 0.48 -2.05 0.00 5.85 -1.66 -3.10 115.31 115.21 2enk h LEU 71 Ca 0.10 -0.33 0.10 0.00 0.84 0.00 0.00 57.88 58.59 2enk h LEU 71 Cb 0.35 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2enk h LEU 71 CO 0.01 1.07 0.26 0.00 -0.34 0.00 0.00 178.44 179.45 2enk h ALA 72 N 0.91 2.21 -0.50 1.25 0.00 -1.27 -0.87 119.26 120.99 2enk h ALA 72 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2enk h ALA 72 Cb 1.35 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2enk h ALA 72 CO 0.13 -0.44 0.22 0.00 0.00 0.00 0.00 179.25 179.16 2enk h ARG 73 N 0.00 0.74 0.00 0.00 3.08 -1.43 -1.07 114.38 115.69 2enk h ARG 73 Ca 0.16 -0.12 -0.17 0.00 0.07 0.00 0.00 59.98 59.91 2enk h ARG 73 Cb 0.69 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2enk h ARG 73 CO -0.00 0.64 -0.82 0.93 -1.07 0.00 0.00 179.97 179.64 2enk h GLU 74 N 0.67 0.00 -0.42 0.04 4.39 -1.37 -2.68 114.58 115.20 2enk h GLU 74 Ca 0.17 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.75 2enk h GLU 74 Cb 0.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 2enk h GLU 74 CO -0.02 0.82 -0.19 0.87 -1.16 0.00 0.00 179.01 179.33 2enk h LYS 75 N 0.00 0.83 0.02 2.33 1.79 -0.95 -0.36 116.57 120.23 2enk h LYS 75 Ca -0.01 -0.33 -0.20 0.00 -2.18 0.00 0.00 60.65 57.93 2enk h LYS 75 Cb 1.54 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 32.13 2enk h LYS 75 CO 0.11 0.95 -0.95 -0.22 -1.08 0.00 0.00 179.45 178.26 2enk h LYS 76 N 0.73 0.10 0.01 3.15 3.64 -1.23 -2.63 116.57 120.33 2enk h LYS 76 Ca 0.10 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2enk h LYS 76 Cb 0.72 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 2enk h LYS 76 CO 0.06 0.97 -0.00 -0.07 -2.27 0.00 0.00 179.45 178.13 2enk h LEU 77 N 0.04 -0.01 -1.64 5.20 3.38 -1.33 -1.96 115.31 118.99 2enk h LEU 77 Ca -0.04 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.31 2enk h LEU 77 Cb 1.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 2enk h LEU 77 CO 0.14 0.58 -0.20 0.08 0.09 0.00 0.00 178.44 179.13 2enk h ARG 78 N -0.61 0.00 0.39 1.13 -0.00 -1.17 -1.84 114.38 112.28 2enk h ARG 78 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.96 2enk h ARG 78 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.57 2enk h ARG 78 CO 0.00 0.20 -0.19 -0.22 -0.00 0.00 0.00 179.97 179.76 2enk h LYS 79 N 0.00 -0.51 -0.29 0.08 3.64 -1.46 -3.22 116.57 114.81 2enk h LYS 79 Ca -0.00 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 2enk h LYS 79 Cb 0.38 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2enk h LYS 79 CO 0.03 -0.34 0.28 0.93 -2.27 0.00 0.00 179.45 178.07 2enk h GLU 80 N -1.11 0.00 0.39 1.90 4.39 -1.33 -2.71 114.58 116.11 2enk h GLU 80 Ca -0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2enk h GLU 80 Cb 0.40 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2enk h GLU 80 CO 0.09 0.00 -0.31 0.00 -1.16 0.00 0.00 179.01 177.63 2enk h ALA 81 N 1.72 -1.06 -0.98 3.43 0.00 -1.35 0.21 119.26 121.23 2enk h ALA 81 Ca 0.14 -0.13 0.15 0.00 0.00 0.00 0.00 54.91 55.07 2enk h ALA 81 Cb 0.69 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 2enk h ALA 81 CO -0.00 -1.05 0.62 0.93 0.00 0.00 0.00 179.25 179.74 2enk h GLU 82 N -0.67 0.82 -0.35 0.00 5.08 -1.52 -1.00 114.58 116.94 2enk h GLU 82 Ca -0.05 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2enk h GLU 82 Cb 0.56 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2enk h GLU 82 CO 0.00 0.54 0.15 0.82 -1.00 0.00 0.00 179.01 179.52 2enk h ILE 83 N 0.84 1.18 0.00 3.13 2.04 -1.33 -0.31 117.51 123.06 2enk h ILE 83 Ca 0.52 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 2enk h ILE 83 Cb 0.70 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 2enk h ILE 83 CO -0.29 0.20 -0.12 -0.33 0.00 0.00 0.00 178.15 177.61 2enk h GLU 84 N 0.42 0.00 0.03 2.37 4.39 0.67 -0.65 114.58 121.80 2enk h GLU 84 Ca 0.12 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2enk h GLU 84 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2enk h GLU 84 CO -0.01 0.12 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.02 2enk h TYR 85 N 0.00 -0.03 -0.25 4.33 3.20 -0.74 -3.30 116.97 120.18 2enk h TYR 85 Ca -0.00 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.94 2enk h TYR 85 Cb 0.27 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 2enk h TYR 85 CO 0.00 -0.02 0.26 0.07 -1.64 0.00 0.00 178.16 176.83 2enk h ARG 86 N -0.78 0.00 0.14 1.82 0.11 -1.07 -1.77 114.38 112.82 2enk h ARG 86 Ca -0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 2enk h ARG 86 Cb 0.03 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.10 2enk h ARG 86 CO 0.01 0.00 -0.08 0.93 0.10 0.00 0.00 179.97 180.92 2enk h GLU 87 N 0.00 -0.21 0.00 0.08 4.39 -1.22 -2.52 114.58 115.10 2enk h GLU 87 Ca 0.12 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.75 2enk h GLU 87 Cb 0.65 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 2enk h GLU 87 CO -0.00 -0.14 -0.39 0.07 -1.16 0.00 0.00 179.01 177.39 2enk h ARG 88 N -0.22 0.00 -0.94 2.33 0.11 -1.42 -3.11 114.38 111.14 2enk h ARG 88 Ca -0.01 0.00 0.10 0.00 0.10 0.00 0.00 59.98 60.17 2enk h ARG 88 Cb 0.18 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.19 2enk h ARG 88 CO 0.01 0.39 0.60 -0.07 0.10 0.00 0.00 179.97 181.01 2enk h LEU 89 N 0.00 0.88 -0.77 0.08 -0.00 -0.97 -0.22 115.31 114.30 2enk h LEU 89 Ca -0.00 0.03 -0.12 0.00 -0.00 0.00 0.00 57.88 57.78 2enk h LEU 89 Cb 0.93 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 41.42 2enk h LEU 89 CO 0.05 0.51 -0.39 -0.26 -0.00 0.00 0.00 178.44 178.35 2enk h PHE 90 N 0.97 0.54 0.00 1.13 -1.00 -1.44 -0.06 116.94 117.07 2enk h PHE 90 Ca 0.44 -0.15 -0.09 0.00 2.81 0.00 0.00 57.97 60.98 2enk h PHE 90 Cb 0.38 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 2enk h PHE 90 CO -0.00 0.79 -0.44 0.00 -1.61 0.00 0.00 178.31 177.05 2enk h ARG 91 N 0.38 0.00 0.00 1.51 3.08 -1.23 -3.30 114.38 114.82 2enk h ARG 91 Ca 0.04 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 2enk h ARG 91 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 2enk h ARG 91 CO 0.07 0.44 -0.45 -0.97 -1.07 0.00 0.00 179.97 177.99 2enk h ASN 92 N 0.00 0.00 -4.01 7.04 -1.24 -0.84 -3.46 115.58 113.06 2enk h ASN 92 Ca -0.00 -0.65 -0.46 0.00 0.71 0.00 0.00 56.30 55.90 2enk h ASN 92 Cb 0.98 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.03 2enk h ASN 92 CO 0.06 1.09 0.36 -1.10 -1.29 0.00 0.00 177.43 176.54 2enk s GLN 93 N -2.19 4.23 -0.11 6.67 -1.52 -0.06 -5.07 119.66 121.61 2enk s GLN 93 Ca -0.20 1.25 -0.04 0.00 -1.95 0.00 0.00 55.36 54.42 2enk s GLN 93 Cb 0.01 -2.34 0.06 0.00 -0.22 0.00 0.00 33.01 30.51 2enk s GLN 93 CO 0.55 -0.04 0.21 0.15 -0.25 0.00 0.00 175.29 175.91 2enk s LYS 94 N -2.87 0.09 0.36 2.91 1.02 -1.26 -4.75 119.74 115.23 2enk s LYS 94 Ca 0.60 0.64 0.15 0.00 0.02 0.00 0.00 55.97 57.38 2enk s LYS 94 Cb -0.14 -0.19 0.67 0.00 -0.52 0.00 0.00 37.83 37.66 2enk s LYS 94 CO 0.18 -0.31 1.77 0.97 -0.92 0.00 0.00 175.35 177.04 2enk h ILE 95 N 6.33 1.17 -3.25 2.17 6.09 -1.97 -3.49 117.51 124.56 2enk h ILE 95 Ca -0.14 -1.50 0.37 0.00 -1.37 0.00 0.00 64.86 62.22 2enk h ILE 95 Cb 1.12 1.84 -0.13 0.00 0.47 0.00 0.00 36.82 40.12 2enk h ILE 95 CO 0.14 0.41 -0.78 0.18 -3.07 0.00 0.00 178.15 175.03 2enk n LEU 96 N -3.85 -0.81 -2.99 2.19 4.32 -1.26 -4.82 117.00 109.79 2enk n LEU 96 Ca -0.01 1.84 -0.20 0.00 -0.02 0.00 0.00 56.01 57.62 2enk n LEU 96 Cb 0.47 -4.48 0.00 0.00 -1.62 0.00 0.00 43.42 37.80 2enk n LEU 96 CO 0.38 -3.18 -0.07 -1.14 -1.22 0.00 0.00 177.39 172.16 2enk n ARG 97 N -4.24 -3.36 -0.97 3.23 0.63 -1.26 -4.95 116.66 105.73 2enk n ARG 97 Ca -0.03 0.63 -0.15 0.00 -0.92 0.00 0.00 57.85 57.39 2enk n ARG 97 Cb 0.65 -5.35 0.10 0.00 0.45 0.00 0.00 32.46 28.32 2enk n ARG 97 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2enk n GLU 98 N -3.52 -0.62 -1.38 -0.14 0.28 -1.26 -5.06 120.64 108.94 2enk n GLU 98 Ca -0.08 -1.04 -0.29 0.00 -0.16 0.00 0.00 57.16 55.59 2enk n GLU 98 Cb 0.59 -0.67 0.15 0.00 1.43 0.00 0.00 31.44 32.93 2enk n GLU 98 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2enk s TYR 99 N -2.42 2.37 0.40 -1.84 1.51 -1.26 -5.07 117.35 111.04 2enk s TYR 99 Ca 0.38 0.95 0.08 0.00 -1.01 0.00 0.00 57.07 57.46 2enk s TYR 99 Cb -0.01 -3.31 -0.01 0.00 -0.11 0.00 0.00 41.96 38.52 2enk s TYR 99 CO 0.26 -2.52 0.41 1.03 -1.11 0.00 0.00 175.55 173.62 2enk s ARG 100 N -5.13 2.67 0.00 -0.62 0.52 -1.26 -5.21 118.95 109.91 2enk s ARG 100 Ca 0.64 -1.40 0.00 0.00 -0.52 0.00 0.00 55.73 54.45 2enk s ARG 100 Cb -0.16 -2.51 0.00 0.00 0.52 0.00 0.00 34.95 32.80 2enk s ARG 100 CO 0.55 -0.15 0.00 -3.47 0.02 0.00 0.00 175.30 172.26