#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 -6.42 0.07 1.61 2.88 -1.26 -4.52 113.62 105.97 2enk n SER 2 Ca 0.00 0.73 -0.07 0.00 -1.33 0.00 0.00 58.87 58.21 2enk n SER 2 Cb 0.00 -2.10 -0.04 0.00 -0.75 0.00 0.00 64.21 61.32 2enk n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2enk h SER 3 N -0.63 -0.23 -2.00 -3.46 0.87 -2.13 -3.49 113.55 102.48 2enk h SER 3 Ca 0.01 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.44 2enk h SER 3 Cb 0.62 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.64 2enk h SER 3 CO 0.00 0.29 0.00 0.61 -0.53 0.00 0.00 176.83 177.20 2enk n GLY 4 N 0.96 4.65 0.10 5.77 0.00 -1.26 -5.08 105.19 110.33 2enk n GLY 4 Ca -0.05 -1.87 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 2enk n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2enk n SER 5 N -1.59 1.05 -1.38 1.61 7.64 -1.26 -4.97 113.62 114.72 2enk n SER 5 Ca 0.00 -0.05 0.19 0.00 1.01 0.00 0.00 58.87 60.02 2enk n SER 5 Cb 0.00 0.48 -0.05 0.00 -1.01 0.00 0.00 64.21 63.63 2enk n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2enk n SER 6 N -2.87 -8.17 -3.18 6.43 2.88 -1.26 -4.93 113.62 102.52 2enk n SER 6 Ca -0.34 0.59 -0.15 0.00 -1.33 0.00 0.00 58.87 57.64 2enk n SER 6 Cb 1.05 -4.19 0.08 0.00 -0.75 0.00 0.00 64.21 60.40 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 -4.10 -0.38 3.00 0.46 0.00 -1.26 -5.02 105.19 97.89 2enk n GLY 7 Ca 0.00 0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 2enk n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2enk s LYS 8 N -5.09 2.13 -0.39 1.61 -0.14 -1.26 -5.08 119.74 111.53 2enk s LYS 8 Ca 0.06 -0.50 0.01 0.00 -1.36 0.00 0.00 55.97 54.18 2enk s LYS 8 Cb -0.01 -1.97 0.14 0.00 -1.68 0.00 0.00 37.83 34.31 2enk s LYS 8 CO 0.66 -0.22 0.23 0.71 -0.76 0.00 0.00 175.35 175.97 2enk s TYR 9 N 1.45 1.17 0.11 3.18 1.51 -1.26 -4.97 117.35 118.55 2enk s TYR 9 Ca 0.03 -1.93 -0.03 0.00 -1.01 0.00 0.00 57.07 54.13 2enk s TYR 9 Cb -0.13 -1.24 -0.16 0.00 -0.11 0.00 0.00 41.96 40.32 2enk s TYR 9 CO -0.09 -0.81 1.25 1.15 -1.11 0.00 0.00 175.55 175.94 2enk h THR 10 N 5.07 1.47 -3.62 -0.71 2.02 -2.06 -3.41 112.91 111.67 2enk h THR 10 Ca 0.05 -2.77 -0.69 0.00 0.77 0.00 0.00 66.41 63.77 2enk h THR 10 Cb 0.95 2.66 -0.32 0.00 -1.74 0.00 0.00 68.15 69.70 2enk h THR 10 CO 0.34 0.81 -0.60 -1.58 0.37 0.00 0.00 175.52 174.86 2enk s GLN 11 N -2.98 2.34 -0.56 6.66 2.00 -1.26 -4.96 119.66 120.89 2enk s GLN 11 Ca -0.04 -1.46 0.01 0.00 -2.00 0.00 0.00 55.36 51.87 2enk s GLN 11 Cb 0.08 -3.44 0.44 0.00 0.80 0.00 0.00 33.01 30.89 2enk s GLN 11 CO 0.86 -0.82 1.76 -1.71 -0.50 0.00 0.00 175.29 174.88 2enk n ASN 12 N 4.68 6.78 0.02 6.67 5.15 -1.26 -4.52 115.26 132.78 2enk n ASN 12 Ca -0.09 -3.78 -0.02 0.00 -0.60 0.00 0.00 54.58 50.09 2enk n ASN 12 Cb 0.43 -0.78 -0.09 0.00 -0.53 0.00 0.00 39.78 38.81 2enk n ASN 12 CO 0.00 0.00 0.00 -1.13 1.40 0.00 0.00 177.26 177.53 2enk h ASN 13 N 2.15 0.00 -3.02 1.20 -0.73 -1.99 -3.46 115.58 109.72 2enk h ASN 13 Ca 0.53 0.00 -0.68 0.00 1.87 0.00 0.00 56.30 58.02 2enk h ASN 13 Cb 0.97 0.00 -0.11 0.00 0.27 0.00 0.00 38.32 39.45 2enk h ASN 13 CO 1.32 0.68 -0.56 -0.36 -0.37 0.00 0.00 177.43 178.14 2enk s PHE 14 N -2.84 3.35 -0.02 0.67 0.40 -1.26 -3.81 117.98 114.48 2enk s PHE 14 Ca -0.03 0.34 0.04 0.00 -0.60 0.00 0.00 56.93 56.68 2enk s PHE 14 Cb 0.08 -1.85 -0.01 0.00 0.51 0.00 0.00 43.02 41.75 2enk s PHE 14 CO 0.81 0.59 -0.14 -1.50 0.70 0.00 0.00 175.22 175.68 2enk s ILE 15 N -0.96 1.14 0.88 0.64 2.07 -1.15 -5.01 121.20 118.81 2enk s ILE 15 Ca 0.14 -0.60 -0.10 0.00 -1.41 0.00 0.00 60.65 58.68 2enk s ILE 15 Cb -0.12 -0.96 0.13 0.00 0.13 0.00 0.00 42.46 41.65 2enk s ILE 15 CO 0.03 0.32 1.14 0.42 -1.91 0.00 0.00 174.94 174.95 2enk s THR 16 N -0.24 2.25 0.01 4.00 -4.23 -1.26 -2.25 115.64 113.91 2enk s THR 16 Ca 0.04 0.08 -0.06 0.00 -1.18 0.00 0.00 61.69 60.57 2enk s THR 16 Cb -0.07 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.55 2enk s THR 16 CO -0.00 -0.10 0.97 1.23 -0.54 0.00 0.00 174.62 176.18 2enk h GLY 17 N -1.69 -0.21 0.30 3.99 0.00 -1.79 -2.80 103.07 100.86 2enk h GLY 17 Ca -0.43 0.08 0.18 0.00 0.00 0.00 0.00 47.33 47.16 2enk h GLY 17 CO 0.43 -0.08 0.60 -2.08 0.00 0.00 0.00 176.54 175.42 2enk h VAL 18 N -0.22 0.73 -0.77 4.60 2.07 -1.93 0.14 116.25 120.87 2enk h VAL 18 Ca -0.02 -0.21 0.13 0.00 0.82 0.00 0.00 66.70 67.42 2enk h VAL 18 Cb 0.15 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 29.94 2enk h VAL 18 CO 0.03 0.11 0.51 0.03 0.02 0.00 0.00 177.57 178.27 2enk h ARG 19 N 0.61 0.51 0.00 1.57 2.47 -1.93 0.39 114.38 118.00 2enk h ARG 19 Ca 0.50 -0.03 -0.23 0.00 -1.26 0.00 0.00 59.98 58.97 2enk h ARG 19 Cb 0.97 -0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 29.14 2enk h ARG 19 CO -0.25 0.33 -1.32 0.00 0.56 0.00 0.00 179.97 179.30 2enk h ALA 20 N 1.63 0.61 0.00 0.04 0.00 -0.50 -2.84 119.26 118.21 2enk h ALA 20 Ca 0.37 -1.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 2enk h ALA 20 Cb 0.72 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2enk h ALA 20 CO -0.13 1.27 -0.36 0.82 0.00 0.00 0.00 179.25 180.85 2enk h ILE 21 N 0.00 0.89 0.00 0.00 2.04 -0.11 0.19 117.51 120.53 2enk h ILE 21 Ca -0.15 -1.43 -0.22 0.00 1.00 0.00 0.00 64.86 64.06 2enk h ILE 21 Cb 1.80 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 39.71 2enk h ILE 21 CO 0.09 0.35 -1.67 0.59 0.00 0.00 0.00 178.15 177.51 2enk n ASN 22 N -3.59 0.68 -0.06 1.72 3.02 -0.03 -2.73 115.26 114.28 2enk n ASN 22 Ca -0.01 0.31 -0.03 0.00 -0.03 0.00 0.00 54.58 54.82 2enk n ASN 22 Cb 0.48 0.35 -0.01 0.00 -0.61 0.00 0.00 39.78 39.99 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 -1.40 -3.37 114.58 117.72 2enk h GLU 23 Ca -0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.46 2enk h GLU 23 Cb 1.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 2enk h GLU 23 CO 0.05 0.00 0.00 0.74 -1.16 0.00 0.00 179.01 178.64 2enk h PHE 24 N -0.98 0.00 -5.35 4.33 -1.00 -0.85 -3.48 116.94 109.61 2enk h PHE 24 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 2enk h PHE 24 Cb 0.33 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.89 2enk h PHE 24 CO -0.14 0.00 -0.03 0.00 -1.61 0.00 0.00 178.31 176.53 2enk n LEU 26 N -1.82 0.00 -4.91 0.00 4.77 -1.14 -5.02 117.00 108.88 2enk n LEU 26 Ca -0.00 -0.46 -0.32 0.00 -0.03 0.00 0.00 56.01 55.20 2enk n LEU 26 Cb 0.50 0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.60 2enk n LEU 26 CO 0.53 -0.07 -0.15 -0.54 -1.33 0.00 0.00 177.39 175.84 2enk s LYS 27 N -2.26 3.45 0.50 3.23 1.02 -1.26 -4.90 119.74 119.51 2enk s LYS 27 Ca 0.00 -0.37 0.18 0.00 0.02 0.00 0.00 55.97 55.80 2enk s LYS 27 Cb -0.00 -3.06 1.23 0.00 -0.52 0.00 0.00 37.83 35.48 2enk s LYS 27 CO 0.00 0.63 2.08 0.77 -0.92 0.00 0.00 175.35 177.92 2enk h SER 28 N 3.38 0.00 1.09 2.83 0.02 -2.01 -1.38 113.55 117.48 2enk h SER 28 Ca -0.47 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.35 2enk h SER 28 Cb 1.17 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 2enk h SER 28 CO 0.73 0.09 -0.64 0.28 -1.14 0.00 0.00 176.83 176.15 2enk h SER 29 N 0.00 0.00 -0.04 3.07 0.02 -2.00 -3.20 113.55 111.39 2enk h SER 29 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2enk h SER 29 Cb 0.18 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 2enk h SER 29 CO 0.01 0.64 -0.05 0.44 -1.14 0.00 0.00 176.83 176.73 2enk h ASP 30 N 0.00 0.12 0.10 3.07 3.32 -1.66 -2.82 116.42 118.55 2enk h ASP 30 Ca -0.01 -0.51 0.02 0.00 0.02 0.00 0.00 57.03 56.56 2enk h ASP 30 Cb 1.36 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.83 2enk h ASP 30 CO 0.08 0.61 -0.35 -0.07 -1.72 0.00 0.00 179.24 177.79 2enk h LEU 31 N -0.36 -1.02 -2.10 1.55 -0.00 -1.55 -0.18 115.31 111.65 2enk h LEU 31 Ca 0.01 0.12 0.09 0.00 -0.00 0.00 0.00 57.88 58.09 2enk h LEU 31 Cb 0.58 0.39 -0.01 0.00 -0.00 0.00 0.00 40.66 41.61 2enk h LEU 31 CO 0.01 -0.43 0.30 1.05 -0.00 0.00 0.00 178.44 179.37 2enk h GLU 32 N -0.56 0.00 0.00 1.13 4.11 -1.64 0.19 114.58 117.81 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 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 2enk h GLU 32 CO -0.22 0.00 -0.17 0.37 0.07 0.00 0.00 179.01 179.07 2enk h GLN 33 N 0.00 0.00 0.00 1.06 4.15 -0.75 -3.44 115.11 116.12 2enk h GLN 33 Ca 0.15 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 59.21 2enk h GLN 33 Cb 0.74 0.00 0.16 0.00 0.21 0.00 0.00 27.48 28.59 2enk h GLN 33 CO -0.00 0.17 0.23 1.28 -1.93 0.00 0.00 178.83 178.58 2enk n LEU 34 N -3.83 0.00 -4.65 -2.39 4.77 0.65 -4.94 117.00 106.60 2enk n LEU 34 Ca -0.02 -1.12 -0.42 0.00 -0.03 0.00 0.00 56.01 54.42 2enk n LEU 34 Cb 0.26 -0.86 -0.03 0.00 -2.33 0.00 0.00 43.42 40.47 2enk n LEU 34 CO 0.32 -1.64 1.35 -0.60 -1.33 0.00 0.00 177.39 175.50 2enk s ARG 35 N -5.30 4.11 -0.87 3.23 3.52 -1.26 -4.93 118.95 117.46 2enk s ARG 35 Ca 0.62 2.05 -0.25 0.00 -0.13 0.00 0.00 55.73 58.03 2enk s ARG 35 Cb -0.04 -3.98 0.02 0.00 -1.56 0.00 0.00 34.95 29.40 2enk s ARG 35 CO 0.46 -0.92 1.50 0.15 -0.81 0.00 0.00 175.30 175.68 2enk s LYS 36 N 4.11 3.22 -0.26 5.12 3.01 -1.26 -4.76 119.74 128.93 2enk s LYS 36 Ca 0.72 -0.54 -0.19 0.00 -1.01 0.00 0.00 55.97 54.94 2enk s LYS 36 Cb -0.31 -4.82 -0.02 0.00 -1.01 0.00 0.00 37.83 31.67 2enk s LYS 36 CO 0.28 -2.39 0.58 0.42 0.51 0.00 0.00 175.35 174.75 2enk s ILE 37 N 6.31 5.02 -0.18 2.17 1.09 -1.15 -4.92 121.20 129.54 2enk s ILE 37 Ca 0.48 1.03 0.14 0.00 -1.10 0.00 0.00 60.65 61.19 2enk s ILE 37 Cb -0.05 -3.89 0.37 0.00 -1.06 0.00 0.00 42.46 37.83 2enk s ILE 37 CO 0.03 0.05 1.19 -2.11 -0.10 0.00 0.00 174.94 174.00 2enk n ARG 38 N 5.65 1.42 -1.32 2.79 0.00 -1.26 -1.91 116.66 122.03 2enk n ARG 38 Ca -0.02 -3.01 0.18 0.00 -0.00 0.00 0.00 57.85 55.00 2enk n ARG 38 Cb 0.49 -1.52 -0.05 0.00 -0.00 0.00 0.00 32.46 31.39 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 -1.15 -2.66 -4.18 2.89 1.74 -1.26 -4.77 116.66 107.27 2enk n ARG 39 Ca 0.17 1.76 -0.34 0.00 -0.77 0.00 0.00 57.85 58.67 2enk n ARG 39 Cb 0.69 -3.24 -0.12 0.00 -1.02 0.00 0.00 32.46 28.78 2enk n ARG 39 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2enk s ARG 40 N -2.15 3.74 -0.08 5.56 0.52 -1.26 -5.08 118.95 120.20 2enk s ARG 40 Ca 0.00 -0.47 -0.32 0.00 -0.52 0.00 0.00 55.73 54.43 2enk s ARG 40 Cb 0.00 -3.06 0.12 0.00 0.52 0.00 0.00 34.95 32.53 2enk s ARG 40 CO 0.00 0.18 1.04 0.45 0.02 0.00 0.00 175.30 176.98 2enk s SER 41 N 0.58 -0.25 0.14 0.23 0.15 -1.26 -5.05 113.70 108.23 2enk s SER 41 Ca -0.00 -0.01 -0.11 0.00 0.70 0.00 0.00 55.95 56.53 2enk s SER 41 Cb -0.14 0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 64.41 2enk s SER 41 CO 0.02 -0.45 1.48 1.55 1.20 0.00 0.00 173.24 177.04 2enk h PRO 42 N 2.00 0.94 -2.63 5.44 0.13 -2.01 -3.45 132.00 132.43 2enk h PRO 42 Ca -0.16 -0.50 -0.11 0.00 -0.87 0.00 0.00 66.00 64.36 2enk h PRO 42 Cb 1.21 0.02 -0.25 0.00 0.13 0.00 0.00 31.00 32.10 2enk h PRO 42 CO 0.27 1.15 -0.24 -1.01 -0.23 0.00 0.00 178.00 177.94 2enk s HIS 43 N -4.40 -0.57 0.08 1.56 3.76 -1.26 -5.17 115.29 109.29 2enk s HIS 43 Ca -0.11 1.28 0.06 0.00 -0.15 0.00 0.00 55.06 56.13 2enk s HIS 43 Cb 0.11 0.24 -0.04 0.00 1.11 0.00 0.00 32.58 34.00 2enk s HIS 43 CO 0.88 -0.30 -0.06 -2.00 -0.85 0.00 0.00 174.74 172.40 2enk s GLU 44 N 0.91 2.35 -0.37 1.40 2.12 -1.26 -5.06 118.70 118.79 2enk s GLU 44 Ca -0.06 -0.90 -0.01 0.00 0.36 0.00 0.00 54.97 54.37 2enk s GLU 44 Cb -0.06 -2.42 0.26 0.00 0.26 0.00 0.00 34.13 32.17 2enk s GLU 44 CO -0.07 0.54 1.13 -3.47 -0.54 0.00 0.00 175.26 172.85 2enk n ASP 45 N 0.88 -1.73 -2.92 -1.70 2.03 -1.26 -5.09 116.55 106.77 2enk n ASP 45 Ca -0.13 -2.07 -0.08 0.00 0.52 0.00 0.00 54.79 53.03 2enk n ASP 45 Cb 0.52 0.99 -0.01 0.00 -0.72 0.00 0.00 41.12 41.90 2enk n ASP 45 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2enk s THR 46 N 0.34 -0.73 0.25 5.18 -4.23 -1.26 -5.14 115.64 110.06 2enk s THR 46 Ca 0.27 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 2enk s THR 46 Cb 0.20 -0.26 0.00 0.00 1.34 0.00 0.00 72.50 73.78 2enk s THR 46 CO -0.12 -0.25 0.00 -0.62 -0.54 0.00 0.00 174.62 173.09 2enk n GLU 47 N 3.02 -2.21 -3.81 3.99 -0.58 -1.26 -4.77 120.64 115.02 2enk n GLU 47 Ca 0.20 1.46 -0.30 0.00 -0.42 0.00 0.00 57.16 58.10 2enk n GLU 47 Cb 0.54 -2.69 -0.15 0.00 -0.57 0.00 0.00 31.44 28.56 2enk n GLU 47 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2enk s SER 48 N -6.29 3.83 0.00 1.62 0.01 -1.26 -4.93 113.70 106.68 2enk s SER 48 Ca 0.00 -1.41 0.00 0.00 1.31 0.00 0.00 55.95 55.85 2enk s SER 48 Cb 0.00 -0.96 0.00 0.00 0.21 0.00 0.00 66.02 65.27 2enk s SER 48 CO 0.00 -0.35 0.00 2.22 0.41 0.00 0.00 173.24 175.52 2enk n PHE 49 N 4.79 0.00 -2.84 2.43 -1.74 -1.26 -5.11 117.46 113.73 2enk n PHE 49 Ca -0.05 0.00 -0.00 0.00 -0.56 0.00 0.00 57.45 56.84 2enk n PHE 49 Cb 0.44 0.01 -0.00 0.00 1.52 0.00 0.00 39.48 41.44 2enk n PHE 49 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 2enk n THR 50 N -2.13 -9.46 -1.53 1.97 -1.04 -1.26 -4.40 114.28 96.42 2enk n THR 50 Ca 0.00 1.54 -0.37 0.00 -2.04 0.00 0.00 64.05 63.18 2enk n THR 50 Cb 0.30 -5.89 0.07 0.00 -1.82 0.00 0.00 70.33 62.99 2enk n THR 50 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2enk n VAL 51 N 0.92 3.53 -4.39 12.58 0.24 -0.80 -4.50 118.33 125.90 2enk n VAL 51 Ca -0.02 -0.45 -0.23 0.00 -2.04 0.00 0.00 64.34 61.60 2enk n VAL 51 Cb 0.15 -1.16 -0.11 0.00 -1.47 0.00 0.00 33.84 31.26 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 -1.62 2.02 0.03 6.34 2.02 -0.95 -2.93 117.35 122.26 2enk s TYR 52 Ca 0.76 -0.43 -0.29 0.00 -0.37 0.00 0.00 57.07 56.74 2enk s TYR 52 Cb -0.38 -0.96 -0.04 0.00 -0.40 0.00 0.00 41.96 40.18 2enk s TYR 52 CO 0.47 0.47 0.93 -1.17 -1.57 0.00 0.00 175.55 174.68 2enk s LEU 53 N -2.99 4.41 0.54 -1.29 1.98 -1.26 -2.92 118.68 117.15 2enk s LEU 53 Ca 0.21 1.64 0.25 0.00 -2.89 0.00 0.00 54.13 53.34 2enk s LEU 53 Cb -0.05 -3.50 1.42 0.00 0.66 0.00 0.00 46.19 44.72 2enk s LEU 53 CO 0.09 -0.16 2.01 -0.09 -1.89 0.00 0.00 176.35 176.31 2enk h ARG 54 N 6.33 0.00 0.00 1.98 2.43 -1.94 0.24 114.38 123.42 2enk h ARG 54 Ca -0.42 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.65 2enk h ARG 54 Cb 1.21 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 2enk h ARG 54 CO 0.74 0.00 -0.47 0.77 -1.51 0.00 0.00 179.97 179.50 2enk h SER 55 N 0.00 0.00 0.02 -3.80 0.02 -1.91 -2.27 113.55 105.61 2enk h SER 55 Ca 0.21 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2enk h SER 55 Cb 0.88 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.42 2enk h SER 55 CO -0.00 0.47 -0.01 0.44 -1.14 0.00 0.00 176.83 176.58 2enk h ASP 56 N 0.00 -0.03 -0.47 3.07 3.32 -0.93 -3.24 116.42 118.14 2enk h ASP 56 Ca -0.00 -0.71 -0.00 0.00 0.02 0.00 0.00 57.03 56.33 2enk h ASP 56 Cb 1.02 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 2enk h ASP 56 CO 0.06 0.77 0.28 0.58 -1.72 0.00 0.00 179.24 179.22 2enk h VAL 57 N -0.91 1.14 0.53 -1.35 2.07 -1.46 -1.84 116.25 114.43 2enk h VAL 57 Ca -0.00 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 2enk h VAL 57 Cb 0.73 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 2enk h VAL 57 CO 0.01 0.15 -0.51 -0.08 0.02 0.00 0.00 177.57 177.16 2enk h GLU 58 N 0.67 -0.99 -0.82 1.57 4.81 -1.50 -2.03 114.58 116.28 2enk h GLU 58 Ca 0.18 0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2enk h GLU 58 Cb -0.01 0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 2enk h GLU 58 CO -0.03 -0.66 0.49 0.00 -0.73 0.00 0.00 179.01 178.08 2enk h ALA 59 N -0.92 1.33 -0.29 2.92 0.00 -1.55 -1.54 119.26 119.20 2enk h ALA 59 Ca -0.07 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.84 2enk h ALA 59 Cb 0.89 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2enk h ALA 59 CO -0.05 0.58 0.27 -0.22 0.00 0.00 0.00 179.25 179.83 2enk h LYS 60 N 1.13 0.00 0.00 0.00 1.63 -0.96 0.24 116.57 118.61 2enk h LYS 60 Ca 0.30 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.94 2enk h LYS 60 Cb -0.05 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 2enk h LYS 60 CO -0.06 0.00 -0.89 1.03 -3.45 0.00 0.00 179.45 176.09 2enk h SER 61 N 0.00 0.00 0.63 4.20 0.87 -0.56 -3.07 113.55 115.63 2enk h SER 61 Ca 0.14 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.43 2enk h SER 61 Cb 0.68 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 2enk h SER 61 CO -0.00 0.64 -1.36 -0.07 -0.53 0.00 0.00 176.83 175.51 2enk h LEU 62 N 0.00 0.24 -0.74 2.23 3.38 -0.52 -2.33 115.31 117.57 2enk h LEU 62 Ca -0.06 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.52 2enk h LEU 62 Cb 1.54 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 2enk h LEU 62 CO 0.07 1.26 -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 -0.89 -0.93 114.58 113.93 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 -1.16 -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 -1.30 3.11 3.29 1.49 0.00 -0.36 -4.94 105.19 106.48 2enk n GLY 66 Ca -0.03 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.09 0.47 1.61 1.04 -1.23 -4.67 113.70 110.82 2enk s SER 67 Ca 0.00 -0.48 0.26 0.00 0.48 0.00 0.00 55.95 56.21 2enk s SER 67 Cb 0.00 0.43 1.10 0.00 0.10 0.00 0.00 66.02 67.65 2enk s SER 67 CO 0.00 -0.82 1.90 1.55 0.98 0.00 0.00 173.24 176.85 2enk h PRO 68 N 2.50 0.00 0.00 4.02 0.13 -1.91 -2.79 132.00 133.95 2enk h PRO 68 Ca -0.34 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.74 2enk h PRO 68 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2enk h PRO 68 CO 0.50 0.18 -0.28 0.93 -0.23 0.00 0.00 178.00 179.10 2enk h GLU 69 N 0.00 0.00 -0.26 0.86 5.08 -1.98 -1.13 114.58 117.14 2enk h GLU 69 Ca -0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 2enk h GLU 69 Cb 0.63 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2enk h GLU 69 CO 0.02 0.28 -0.50 0.00 -1.00 0.00 0.00 179.01 177.81 2enk h ALA 70 N 1.72 0.63 0.23 3.43 0.00 -1.86 -3.11 119.26 120.30 2enk h ALA 70 Ca -0.00 -0.49 -0.33 0.00 0.00 0.00 0.00 54.91 54.09 2enk h ALA 70 Cb 0.65 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.38 2enk h ALA 70 CO 0.04 0.68 -1.44 1.25 0.00 0.00 0.00 179.25 179.77 2enk h LEU 71 N 0.57 0.77 -2.04 0.00 5.85 -1.61 -3.26 115.31 115.60 2enk h LEU 71 Ca 0.02 -0.83 0.12 0.00 0.84 0.00 0.00 57.88 58.03 2enk h LEU 71 Cb 1.06 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 2enk h LEU 71 CO 0.10 1.65 0.38 0.00 -0.34 0.00 0.00 178.44 180.23 2enk h ALA 72 N 0.23 2.19 -0.98 1.25 0.00 -1.24 -0.63 119.26 120.09 2enk h ALA 72 Ca -0.24 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.78 2enk h ALA 72 Cb 2.14 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.87 2enk h ALA 72 CO 0.27 -0.59 0.60 0.00 0.00 0.00 0.00 179.25 179.53 2enk h ARG 73 N 0.00 0.91 0.00 0.00 2.47 -1.58 0.13 114.38 116.32 2enk h ARG 73 Ca 0.19 -0.05 -0.28 0.00 -1.26 0.00 0.00 59.98 58.58 2enk h ARG 73 Cb 0.94 -0.21 -0.05 0.00 -1.65 0.00 0.00 29.97 29.01 2enk h ARG 73 CO -0.00 0.60 -1.63 0.93 0.56 0.00 0.00 179.97 180.43 2enk h GLU 74 N 0.94 0.00 -0.66 0.04 4.39 -1.34 -3.35 114.58 114.60 2enk h GLU 74 Ca 0.49 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 60.13 2enk h GLU 74 Cb 0.51 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 2enk h GLU 74 CO -0.28 0.52 0.15 0.87 -1.16 0.00 0.00 179.01 179.12 2enk h LYS 75 N 0.00 1.04 0.42 2.33 1.79 -0.75 -2.07 116.57 119.34 2enk h LYS 75 Ca -0.25 -0.25 -0.02 0.00 -2.18 0.00 0.00 60.65 57.95 2enk h LYS 75 Cb 1.97 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.48 2enk h LYS 75 CO 0.08 0.93 -0.21 -0.22 -1.08 0.00 0.00 179.45 178.96 2enk h LYS 76 N 0.99 -0.55 0.29 3.15 1.63 -0.91 -0.64 116.57 120.53 2enk h LYS 76 Ca 0.21 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.05 2enk h LYS 76 Cb 0.36 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 2enk h LYS 76 CO 0.00 -0.37 -0.31 -0.07 -3.45 0.00 0.00 179.45 175.25 2enk h LEU 77 N -0.57 -0.85 -1.32 5.20 -0.00 -1.67 -0.49 115.31 115.61 2enk h LEU 77 Ca -0.06 0.08 0.19 0.00 -0.00 0.00 0.00 57.88 58.09 2enk h LEU 77 Cb 0.44 0.29 -0.08 0.00 -0.00 0.00 0.00 40.66 41.32 2enk h LEU 77 CO 0.09 -0.44 0.60 0.03 -0.00 0.00 0.00 178.44 178.73 2enk h ARG 78 N -0.64 0.56 0.03 1.13 3.08 -1.34 0.10 114.38 117.29 2enk h ARG 78 Ca -0.01 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2enk h ARG 78 Cb 0.59 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2enk h ARG 78 CO -0.08 0.37 -0.01 -0.22 -1.07 0.00 0.00 179.97 178.96 2enk h LYS 79 N 0.57 -0.03 0.00 0.04 3.64 -0.35 -2.91 116.57 117.53 2enk h LYS 79 Ca 0.50 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.87 2enk h LYS 79 Cb 1.00 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2enk h LYS 79 CO -0.24 0.31 -0.06 0.93 -2.27 0.00 0.00 179.45 178.12 2enk h GLU 80 N -0.38 0.00 0.31 1.90 4.39 -0.01 -2.73 114.58 118.06 2enk h GLU 80 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2enk h GLU 80 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2enk h GLU 80 CO 0.01 0.06 -0.15 0.00 -1.16 0.00 0.00 179.01 177.77 2enk h ALA 81 N 1.94 -0.42 -0.84 3.43 0.00 -0.83 -0.44 119.26 122.10 2enk h ALA 81 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2enk h ALA 81 Cb 0.13 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2enk h ALA 81 CO 0.01 -0.72 0.49 0.93 0.00 0.00 0.00 179.25 179.96 2enk h GLU 82 N -0.46 1.15 -0.72 0.00 5.08 -1.42 -2.38 114.58 115.82 2enk h GLU 82 Ca -0.04 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 2enk h GLU 82 Cb 0.35 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2enk h GLU 82 CO 0.07 0.81 0.26 0.82 -1.00 0.00 0.00 179.01 179.98 2enk h ILE 83 N 1.16 1.25 0.00 3.13 2.04 -1.28 -1.77 117.51 122.04 2enk h ILE 83 Ca 0.30 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 2enk h ILE 83 Cb -0.03 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 2enk h ILE 83 CO -0.05 0.33 -0.17 -0.33 0.00 0.00 0.00 178.15 177.92 2enk h GLU 84 N 1.05 0.00 0.14 2.37 4.39 -0.59 -0.14 114.58 121.80 2enk h GLU 84 Ca 0.24 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 2enk h GLU 84 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2enk h GLU 84 CO -0.01 0.17 -0.07 -0.92 -1.16 0.00 0.00 179.01 177.02 2enk h TYR 85 N 0.00 -0.18 0.00 4.33 3.20 -0.97 -3.27 116.97 120.08 2enk h TYR 85 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2enk h TYR 85 Cb 0.39 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 2enk h TYR 85 CO 0.00 -0.04 -0.04 0.07 -1.64 0.00 0.00 178.16 176.51 2enk h ARG 86 N -1.04 0.00 0.31 1.82 0.11 -1.33 -2.99 114.38 111.26 2enk h ARG 86 Ca -0.02 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.05 2enk h ARG 86 Cb 0.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.29 2enk h ARG 86 CO 0.03 0.04 -0.23 0.93 0.10 0.00 0.00 179.97 180.83 2enk h GLU 87 N 0.00 -0.51 -0.79 0.08 4.39 -1.10 0.26 114.58 116.90 2enk h GLU 87 Ca -0.00 0.03 0.17 0.00 0.34 0.00 0.00 59.36 59.90 2enk h GLU 87 Cb 0.08 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.80 2enk h GLU 87 CO 0.00 -0.34 0.53 0.07 -1.16 0.00 0.00 179.01 178.12 2enk h ARG 88 N -0.53 0.37 -0.08 2.33 0.11 -1.59 -1.26 114.38 113.73 2enk h ARG 88 Ca -0.04 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.01 2enk h ARG 88 Cb 0.43 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 31.43 2enk h ARG 88 CO 0.02 0.24 0.03 -0.07 0.10 0.00 0.00 179.97 180.29 2enk h LEU 89 N 0.38 0.12 -0.71 0.08 3.38 -1.32 0.22 115.31 117.45 2enk h LEU 89 Ca 0.40 -0.19 0.10 0.00 0.09 0.00 0.00 57.88 58.28 2enk h LEU 89 Cb 0.98 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 2enk h LEU 89 CO -0.13 0.27 0.34 -0.26 0.09 0.00 0.00 178.44 178.76 2enk h PHE 90 N -0.04 0.60 -0.14 1.13 0.04 0.25 -1.57 116.94 117.21 2enk h PHE 90 Ca 0.03 0.03 -0.20 0.00 2.80 0.00 0.00 57.97 60.63 2enk h PHE 90 Cb 0.19 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.18 2enk h PHE 90 CO -0.01 0.20 -0.71 -0.09 -0.60 0.00 0.00 178.31 177.10 2enk h ARG 91 N 0.57 0.62 -0.71 1.51 2.43 -1.32 -3.12 114.38 114.36 2enk h ARG 91 Ca 0.36 -0.48 0.15 0.00 -0.81 0.00 0.00 59.98 59.20 2enk h ARG 91 Cb 0.41 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 2enk h ARG 91 CO -0.29 1.10 0.48 -0.97 -1.51 0.00 0.00 179.97 178.78 2enk h ASN 92 N 0.43 0.31 -3.57 -3.80 -1.24 0.40 -3.36 115.58 104.77 2enk h ASN 92 Ca -0.03 0.02 -0.71 0.00 0.71 0.00 0.00 56.30 56.29 2enk h ASN 92 Cb 1.31 -0.05 -0.23 0.00 0.73 0.00 0.00 38.32 40.09 2enk h ASN 92 CO 0.14 0.16 -0.48 -1.10 -1.29 0.00 0.00 177.43 174.86 2enk s GLN 93 N -5.33 2.97 0.20 6.67 -0.21 -0.87 -5.07 119.66 118.02 2enk s GLN 93 Ca -0.07 -1.00 0.08 0.00 0.02 0.00 0.00 55.36 54.39 2enk s GLN 93 Cb 0.21 -3.81 -0.05 0.00 1.00 0.00 0.00 33.01 30.36 2enk s GLN 93 CO 0.76 -0.68 -0.16 -1.59 -2.12 0.00 0.00 175.29 171.50 2enk s LYS 94 N 1.62 1.35 0.51 2.91 -2.85 -1.26 -4.90 119.74 117.13 2enk s LYS 94 Ca 0.04 -1.56 0.26 0.00 -1.00 0.00 0.00 55.97 53.71 2enk s LYS 94 Cb -0.19 -1.26 1.37 0.00 -2.06 0.00 0.00 37.83 35.69 2enk s LYS 94 CO 0.08 0.23 1.94 0.97 0.10 0.00 0.00 175.35 178.67 2enk h ILE 95 N 2.72 0.68 -4.75 3.79 2.10 -1.97 -3.47 117.51 116.61 2enk h ILE 95 Ca -0.39 -0.03 0.01 0.00 1.08 0.00 0.00 64.86 65.53 2enk h ILE 95 Cb 1.22 0.60 -0.12 0.00 -1.09 0.00 0.00 36.82 37.43 2enk h ILE 95 CO 0.59 0.01 -1.42 -0.11 -1.08 0.00 0.00 178.15 176.14 2enk n LEU 96 N -4.36 -5.68 0.00 2.19 0.00 -1.26 -5.08 117.00 102.81 2enk n LEU 96 Ca 0.14 2.04 -0.21 0.00 0.00 0.00 0.00 56.01 57.98 2enk n LEU 96 Cb 0.72 -3.03 -0.04 0.00 0.00 0.00 0.00 43.42 41.07 2enk n LEU 96 CO 0.37 -3.58 -0.13 -2.11 0.00 0.00 0.00 177.39 171.94 2enk n ARG 97 N 1.49 1.17 -1.64 1.96 0.00 -1.26 -5.11 116.66 113.27 2enk n ARG 97 Ca -0.37 -2.38 -0.38 0.00 -0.00 0.00 0.00 57.85 54.71 2enk n ARG 97 Cb 0.58 0.59 0.05 0.00 -0.00 0.00 0.00 32.46 33.68 2enk n ARG 97 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2enk n GLU 98 N -0.89 1.03 -1.67 2.89 0.28 -1.26 -4.90 120.64 116.13 2enk n GLU 98 Ca -0.12 0.39 -0.40 0.00 -0.16 0.00 0.00 57.16 56.88 2enk n GLU 98 Cb 0.42 -2.24 0.03 0.00 1.43 0.00 0.00 31.44 31.08 2enk n GLU 98 CO 0.00 0.00 0.00 2.48 -0.16 0.00 0.00 177.13 179.45 2enk n TYR 99 N -1.60 1.60 -4.13 -1.84 4.11 -1.26 -4.99 117.16 109.06 2enk n TYR 99 Ca 0.13 0.48 -0.35 0.00 -0.00 0.00 0.00 57.90 58.16 2enk n TYR 99 Cb 0.47 -2.28 -0.09 0.00 -0.00 0.00 0.00 39.34 37.44 2enk n TYR 99 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2enk s ARG 100 N -2.47 3.59 0.00 -3.48 0.52 -1.26 -5.32 118.95 110.53 2enk s ARG 100 Ca 0.68 -0.34 0.08 0.00 -0.52 0.00 0.00 55.73 55.62 2enk s ARG 100 Cb -0.47 -3.07 0.06 0.00 0.52 0.00 0.00 34.95 32.00 2enk s ARG 100 CO 0.53 0.47 0.75 -3.47 0.02 0.00 0.00 175.30 173.60