#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 6.39 -3.97 1.61 2.88 -1.26 -4.85 113.62 114.43 2enk n SER 2 Ca 0.00 -3.23 -0.43 0.00 -1.33 0.00 0.00 58.87 53.88 2enk n SER 2 Cb 0.00 -1.38 0.01 0.00 -0.75 0.00 0.00 64.21 62.09 2enk n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2enk n SER 3 N 2.41 6.44 -0.09 -3.46 7.64 -1.26 -4.86 113.62 120.43 2enk n SER 3 Ca 0.44 -3.42 0.00 0.00 1.01 0.00 0.00 58.87 56.90 2enk n SER 3 Cb 0.31 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 2enk n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2enk n GLY 4 N 1.30 0.45 3.56 0.23 0.00 -1.26 -4.92 105.19 104.55 2enk n GLY 4 Ca 0.28 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 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 2.74 -0.01 1.61 2.88 -1.26 -4.83 113.62 114.75 2enk n SER 5 Ca 0.00 0.04 -0.17 0.00 -1.33 0.00 0.00 58.87 57.41 2enk n SER 5 Cb 0.00 -1.50 -0.10 0.00 -0.75 0.00 0.00 64.21 61.86 2enk n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2enk h SER 6 N 15.83 0.66 0.00 -3.46 0.02 -1.99 -3.50 113.55 121.10 2enk h SER 6 Ca -0.33 -0.69 0.00 0.00 -0.84 0.00 0.00 61.79 59.92 2enk h SER 6 Cb 1.26 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2enk h SER 6 CO 1.04 1.26 0.00 0.61 -1.14 0.00 0.00 176.83 178.59 2enk n GLY 7 N 0.88 -0.50 0.85 -3.77 0.00 -1.26 -4.98 105.19 96.40 2enk n GLY 7 Ca -0.09 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.14 2enk n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2enk n LYS 8 N 0.00 0.55 -2.84 1.61 2.85 -1.26 -5.05 118.16 114.01 2enk n LYS 8 Ca 0.00 -2.14 -0.04 0.00 -1.05 0.00 0.00 58.31 55.08 2enk n LYS 8 Cb 0.00 -0.71 0.00 0.00 -0.65 0.00 0.00 35.03 33.68 2enk n LYS 8 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2enk n TYR 9 N -0.27 -3.43 -2.61 5.58 4.02 -1.26 -4.99 117.16 114.20 2enk n TYR 9 Ca 0.09 1.47 0.00 0.00 -0.01 0.00 0.00 57.90 59.46 2enk n TYR 9 Cb 0.86 -3.65 0.04 0.00 -0.02 0.00 0.00 39.34 36.57 2enk n TYR 9 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 2enk n THR 10 N 0.44 0.52 -3.69 -0.72 5.66 -1.26 -5.07 114.28 110.16 2enk n THR 10 Ca 0.03 -1.67 -0.38 0.00 -3.05 0.00 0.00 64.05 58.97 2enk n THR 10 Cb 0.21 1.07 -0.12 0.00 -1.55 0.00 0.00 70.33 69.94 2enk n THR 10 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2enk s GLN 11 N -1.54 2.96 0.07 1.09 0.74 -1.26 -4.90 119.66 116.81 2enk s GLN 11 Ca 0.24 -0.97 0.00 0.00 0.05 0.00 0.00 55.36 54.68 2enk s GLN 11 Cb 0.32 -3.53 0.00 0.00 1.10 0.00 0.00 33.01 30.91 2enk s GLN 11 CO -0.09 -0.56 0.00 0.09 -0.55 0.00 0.00 175.29 174.18 2enk n ASN 12 N 4.91 0.39 0.26 6.67 3.02 -1.26 -4.77 115.26 124.48 2enk n ASN 12 Ca -0.13 0.11 0.09 0.00 -0.03 0.00 0.00 54.58 54.62 2enk n ASN 12 Cb 0.47 -0.08 0.66 0.00 -0.61 0.00 0.00 39.78 40.22 2enk n ASN 12 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2enk h ASN 13 N 0.00 0.00 -3.02 6.41 4.21 -1.98 -3.43 115.58 117.77 2enk h ASN 13 Ca 0.00 0.00 -0.62 0.00 1.21 0.00 0.00 56.30 56.89 2enk h ASN 13 Cb 0.39 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 37.46 2enk h ASN 13 CO 0.00 0.04 -0.70 -0.36 -1.29 0.00 0.00 177.43 175.12 2enk s PHE 14 N -4.89 2.73 0.01 1.19 0.40 -1.26 -3.27 117.98 112.89 2enk s PHE 14 Ca -0.05 -0.18 0.01 0.00 -0.60 0.00 0.00 56.93 56.11 2enk s PHE 14 Cb 0.16 -1.34 -0.01 0.00 0.51 0.00 0.00 43.02 42.34 2enk s PHE 14 CO 0.65 0.50 -0.04 -1.50 0.70 0.00 0.00 175.22 175.54 2enk s ILE 15 N -1.66 0.27 0.90 0.64 2.07 -0.76 -4.86 121.20 117.80 2enk s ILE 15 Ca 0.25 -0.56 -0.11 0.00 -1.41 0.00 0.00 60.65 58.82 2enk s ILE 15 Cb -0.09 -0.31 0.13 0.00 0.13 0.00 0.00 42.46 42.32 2enk s ILE 15 CO 0.16 -0.19 1.10 -0.89 -1.91 0.00 0.00 174.94 173.21 2enk s THR 16 N -0.75 2.58 -0.01 4.00 2.01 -1.26 -1.94 115.64 120.26 2enk s THR 16 Ca -0.06 0.19 -0.06 0.00 0.31 0.00 0.00 61.69 62.07 2enk s THR 16 Cb -0.06 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 2enk s THR 16 CO -0.00 -0.25 0.54 1.23 -0.69 0.00 0.00 174.62 175.45 2enk h GLY 17 N -1.66 -0.23 0.66 4.40 0.00 -1.97 -2.67 103.07 101.60 2enk h GLY 17 Ca -0.47 0.08 0.18 0.00 0.00 0.00 0.00 47.33 47.13 2enk h GLY 17 CO 0.49 -0.08 0.49 -0.24 0.00 0.00 0.00 176.54 177.20 2enk h VAL 18 N -0.41 0.57 -0.15 4.60 3.04 -1.94 -0.34 116.25 121.62 2enk h VAL 18 Ca -0.02 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.64 2enk h VAL 18 Cb 0.17 0.64 -0.00 0.00 -2.01 0.00 0.00 31.29 30.09 2enk h VAL 18 CO 0.04 0.00 -0.02 0.03 -1.01 0.00 0.00 177.57 176.60 2enk h ARG 19 N 0.00 0.28 -0.10 4.17 2.47 -1.95 -1.49 114.38 117.76 2enk h ARG 19 Ca 0.30 -0.10 -0.10 0.00 -1.26 0.00 0.00 59.98 58.82 2enk h ARG 19 Cb 1.29 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.57 2enk h ARG 19 CO -0.00 0.54 -0.40 0.00 0.56 0.00 0.00 179.97 180.67 2enk h ALA 20 N 0.73 1.14 0.00 0.04 0.00 -0.74 0.46 119.26 120.89 2enk h ALA 20 Ca 0.04 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2enk h ALA 20 Cb 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2enk h ALA 20 CO 0.01 0.57 -0.37 0.82 0.00 0.00 0.00 179.25 180.29 2enk h ILE 21 N 0.18 0.83 0.00 0.00 2.04 -1.14 0.10 117.51 119.54 2enk h ILE 21 Ca 0.02 -1.54 -0.22 0.00 1.00 0.00 0.00 64.86 64.12 2enk h ILE 21 Cb 0.79 1.96 -0.04 0.00 -0.74 0.00 0.00 36.82 38.79 2enk h ILE 21 CO 0.06 0.36 -1.67 0.59 0.00 0.00 0.00 178.15 177.50 2enk n ASN 22 N -3.48 0.70 -0.06 1.72 3.02 -0.57 -2.69 115.26 113.89 2enk n ASN 22 Ca 0.00 0.32 -0.04 0.00 -0.03 0.00 0.00 54.58 54.83 2enk n ASN 22 Cb 0.52 0.30 -0.01 0.00 -0.61 0.00 0.00 39.78 39.98 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 -0.85 -3.37 114.58 118.27 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 1.77 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.42 2enk h GLU 23 CO 0.05 0.05 0.00 0.74 -1.16 0.00 0.00 179.01 178.69 2enk h PHE 24 N -1.00 0.00 -5.37 4.33 -1.00 -1.01 -3.47 116.94 109.42 2enk h PHE 24 Ca -0.01 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 2enk h PHE 24 Cb 0.35 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.91 2enk h PHE 24 CO -0.12 0.00 -0.21 0.00 -1.61 0.00 0.00 178.31 176.36 2enk n LEU 26 N -1.23 0.00 -4.98 0.00 4.77 -1.13 -5.00 117.00 109.43 2enk n LEU 26 Ca 0.04 -1.89 -0.21 0.00 -0.03 0.00 0.00 56.01 53.92 2enk n LEU 26 Cb 0.49 0.35 0.03 0.00 -2.33 0.00 0.00 43.42 41.96 2enk n LEU 26 CO 0.51 -0.28 0.33 -0.54 -1.33 0.00 0.00 177.39 176.08 2enk s LYS 27 N -3.04 2.63 0.00 3.23 1.02 -1.26 -4.91 119.74 117.41 2enk s LYS 27 Ca 0.04 -0.82 -0.23 0.00 0.02 0.00 0.00 55.97 54.98 2enk s LYS 27 Cb 0.00 -2.53 -0.18 0.00 -0.52 0.00 0.00 37.83 34.60 2enk s LYS 27 CO 0.03 -0.61 1.26 1.03 -0.92 0.00 0.00 175.35 176.14 2enk h SER 28 N 0.18 0.21 0.18 2.83 0.87 -2.01 -3.09 113.55 112.72 2enk h SER 28 Ca -0.42 -0.54 -0.02 0.00 -1.23 0.00 0.00 61.79 59.58 2enk h SER 28 Cb 1.29 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2enk h SER 28 CO 0.52 0.71 -0.11 -1.28 -0.53 0.00 0.00 176.83 176.14 2enk h SER 29 N -0.27 0.00 0.50 6.23 0.87 -1.99 -2.80 113.55 116.09 2enk h SER 29 Ca 0.01 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2enk h SER 29 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2enk h SER 29 CO 0.02 0.11 -0.24 0.44 -0.53 0.00 0.00 176.83 176.63 2enk h ASP 30 N 0.00 -0.57 -0.95 6.23 5.19 -1.94 -1.90 116.42 122.47 2enk h ASP 30 Ca -0.00 0.02 0.18 0.00 -0.62 0.00 0.00 57.03 56.61 2enk h ASP 30 Cb 0.23 0.15 -0.08 0.00 0.18 0.00 0.00 39.33 39.80 2enk h ASP 30 CO 0.01 -0.40 0.61 -0.07 -3.12 0.00 0.00 179.24 176.27 2enk h LEU 31 N -0.69 0.64 -1.39 1.55 -0.00 -1.52 0.15 115.31 114.05 2enk h LEU 31 Ca -0.07 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2enk h LEU 31 Cb 0.52 -0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 41.09 2enk h LEU 31 CO 0.11 0.27 0.38 -0.33 -0.00 0.00 0.00 178.44 178.87 2enk h GLU 32 N 0.65 0.79 0.00 1.13 4.39 -1.35 -1.17 114.58 119.01 2enk h GLU 32 Ca 0.51 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 60.15 2enk h GLU 32 Cb 0.94 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.41 2enk h GLU 32 CO -0.27 0.53 -0.02 0.37 -1.16 0.00 0.00 179.01 178.46 2enk h GLN 33 N 0.81 0.00 -7.38 2.33 5.75 0.14 -3.43 115.11 113.34 2enk h GLN 33 Ca 0.22 0.00 -0.51 0.00 -0.15 0.00 0.00 58.65 58.21 2enk h GLN 33 Cb -0.07 0.00 0.08 0.00 1.07 0.00 0.00 27.48 28.56 2enk h GLN 33 CO -0.04 0.02 0.39 -0.51 -2.65 0.00 0.00 178.83 176.04 2enk s LEU 34 N -8.20 3.08 0.22 -2.39 1.43 -0.44 -4.98 118.68 107.40 2enk s LEU 34 Ca -0.05 1.43 -0.32 0.00 -1.03 0.00 0.00 54.13 54.17 2enk s LEU 34 Cb 0.16 -4.34 -0.12 0.00 0.03 0.00 0.00 46.19 41.92 2enk s LEU 34 CO 0.60 -1.26 1.71 -0.60 0.23 0.00 0.00 176.35 177.03 2enk s ARG 35 N -5.16 4.12 -0.46 1.70 3.52 -1.26 -4.96 118.95 116.46 2enk s ARG 35 Ca 0.57 2.61 -0.16 0.00 -0.13 0.00 0.00 55.73 58.62 2enk s ARG 35 Cb -0.12 -3.06 0.05 0.00 -1.56 0.00 0.00 34.95 30.25 2enk s ARG 35 CO 0.54 -0.74 0.43 0.15 -0.81 0.00 0.00 175.30 174.87 2enk s LYS 36 N 0.90 3.03 -0.19 5.12 1.02 -1.26 -4.72 119.74 123.64 2enk s LYS 36 Ca 0.73 -1.10 -0.10 0.00 0.02 0.00 0.00 55.97 55.52 2enk s LYS 36 Cb -0.50 -4.07 -0.05 0.00 -0.52 0.00 0.00 37.83 32.70 2enk s LYS 36 CO 0.35 -0.99 0.16 0.42 -0.92 0.00 0.00 175.35 174.37 2enk s ILE 37 N 1.93 5.40 -0.66 2.17 1.09 -1.11 -4.93 121.20 125.08 2enk s ILE 37 Ca 0.08 0.25 -0.03 0.00 -1.10 0.00 0.00 60.65 59.85 2enk s ILE 37 Cb -0.21 -3.49 0.17 0.00 -1.06 0.00 0.00 42.46 37.87 2enk s ILE 37 CO 0.09 0.44 0.49 -0.13 -0.10 0.00 0.00 174.94 175.73 2enk s ARG 38 N 0.31 2.67 1.16 2.79 3.00 -1.26 -0.59 118.95 127.03 2enk s ARG 38 Ca 0.10 -2.64 -0.13 0.00 0.00 0.00 0.00 55.73 53.06 2enk s ARG 38 Cb -0.11 -3.77 0.26 0.00 0.00 0.00 0.00 34.95 31.32 2enk s ARG 38 CO -0.01 -1.19 0.88 0.54 0.00 0.00 0.00 175.30 175.52 2enk n ARG 39 N 3.32 -2.24 -0.00 3.54 1.74 -1.26 -4.97 116.66 116.79 2enk n ARG 39 Ca 0.10 -0.62 0.03 0.00 -0.77 0.00 0.00 57.85 56.58 2enk n ARG 39 Cb 0.38 -2.11 -0.05 0.00 -1.02 0.00 0.00 32.46 29.66 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 -4.50 0.28 -1.27 5.56 3.00 -1.26 -4.69 116.66 113.77 2enk n ARG 40 Ca 0.03 -0.05 0.15 0.00 -0.01 0.00 0.00 57.85 57.97 2enk n ARG 40 Cb 0.55 -1.14 -0.08 0.00 0.00 0.00 0.00 32.46 31.79 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 -1.72 -6.92 -0.07 0.55 7.64 -1.26 -4.42 113.62 107.42 2enk n SER 41 Ca -0.01 1.27 -0.13 0.00 1.01 0.00 0.00 58.87 61.01 2enk n SER 41 Cb 0.17 -4.36 -0.06 0.00 -1.01 0.00 0.00 64.21 58.95 2enk n SER 41 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2enk h PRO 42 N -1.25 0.47 -5.99 1.43 0.13 -2.00 -3.46 132.00 121.34 2enk h PRO 42 Ca -0.17 -0.25 -0.60 0.00 -0.87 0.00 0.00 66.00 64.10 2enk h PRO 42 Cb 1.22 0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 2enk h PRO 42 CO 0.07 0.82 -0.66 -1.01 -0.23 0.00 0.00 178.00 176.99 2enk s HIS 43 N -4.33 2.46 -0.65 1.56 3.76 -1.26 -4.86 115.29 111.97 2enk s HIS 43 Ca -0.14 -0.46 -0.09 0.00 -0.15 0.00 0.00 55.06 54.22 2enk s HIS 43 Cb 0.06 -1.40 0.01 0.00 1.11 0.00 0.00 32.58 32.36 2enk s HIS 43 CO 0.78 0.55 0.65 0.39 -0.85 0.00 0.00 174.74 176.26 2enk n GLU 44 N -0.85 -1.70 0.24 1.40 1.02 -1.26 -4.86 120.64 114.62 2enk n GLU 44 Ca -0.05 1.45 0.08 0.00 -0.02 0.00 0.00 57.16 58.62 2enk n GLU 44 Cb 0.63 -4.36 0.58 0.00 -0.02 0.00 0.00 31.44 28.26 2enk n GLU 44 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 2enk h ASP 45 N 0.85 0.00 0.22 1.62 2.03 -1.88 -3.01 116.42 116.25 2enk h ASP 45 Ca -0.24 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.07 2enk h ASP 45 Cb 1.16 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.64 2enk h ASP 45 CO 0.28 0.17 -0.24 0.71 -1.03 0.00 0.00 179.24 179.14 2enk h THR 46 N 0.00 0.49 -1.87 1.15 1.35 -1.89 -3.41 112.91 108.72 2enk h THR 46 Ca -0.00 0.00 -0.63 0.00 -0.55 0.00 0.00 66.41 65.23 2enk h THR 46 Cb 0.33 0.49 0.01 0.00 -1.73 0.00 0.00 68.15 67.25 2enk h THR 46 CO 0.02 0.00 1.15 -0.62 -0.25 0.00 0.00 175.52 175.82 2enk n GLU 47 N -5.36 1.95 -4.31 4.72 4.71 -1.14 -4.96 120.64 116.25 2enk n GLU 47 Ca -0.08 0.69 -0.18 0.00 -0.01 0.00 0.00 57.16 57.58 2enk n GLU 47 Cb 0.27 -2.62 -0.14 0.00 -1.01 0.00 0.00 31.44 27.94 2enk n GLU 47 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2enk s SER 48 N 4.73 1.10 -0.16 1.62 0.01 -1.26 -4.90 113.70 114.84 2enk s SER 48 Ca 0.96 -0.25 -0.21 0.00 1.31 0.00 0.00 55.95 57.76 2enk s SER 48 Cb -0.72 -0.09 0.05 0.00 0.21 0.00 0.00 66.02 65.47 2enk s SER 48 CO 0.52 0.06 0.55 0.72 0.41 0.00 0.00 173.24 175.49 2enk s PHE 49 N -0.45 -0.57 0.15 2.43 -0.71 -1.26 -5.12 117.98 112.45 2enk s PHE 49 Ca 0.01 1.31 -0.30 0.00 -1.04 0.00 0.00 56.93 56.91 2enk s PHE 49 Cb -0.05 0.23 -0.07 0.00 -1.21 0.00 0.00 43.02 41.92 2enk s PHE 49 CO 0.00 -0.36 1.17 0.99 -1.34 0.00 0.00 175.22 175.69 2enk s THR 50 N -0.12 3.78 0.01 -4.49 2.01 -1.26 -4.16 115.64 111.41 2enk s THR 50 Ca -0.03 1.44 0.04 0.00 0.31 0.00 0.00 61.69 63.45 2enk s THR 50 Cb -0.03 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.54 2enk s THR 50 CO 0.03 0.20 -0.13 0.68 -0.69 0.00 0.00 174.62 174.71 2enk s VAL 51 N 0.20 1.03 0.54 3.82 -7.23 0.25 -4.28 120.40 114.72 2enk s VAL 51 Ca 0.53 -0.76 0.06 0.00 -1.81 0.00 0.00 61.98 60.00 2enk s VAL 51 Cb -0.31 -0.90 0.04 0.00 0.56 0.00 0.00 36.38 35.77 2enk s VAL 51 CO 0.34 0.13 0.45 -0.31 -0.31 0.00 0.00 175.10 175.41 2enk s TYR 52 N -0.58 1.63 -0.15 2.82 2.02 -0.82 -2.73 117.35 119.55 2enk s TYR 52 Ca 0.03 -0.81 -0.05 0.00 -0.37 0.00 0.00 57.07 55.87 2enk s TYR 52 Cb -0.06 -1.96 -0.03 0.00 -0.40 0.00 0.00 41.96 39.50 2enk s TYR 52 CO 0.00 -0.55 0.02 -0.51 -1.57 0.00 0.00 175.55 172.94 2enk s LEU 53 N -4.33 3.61 0.45 -1.29 1.02 -1.26 -1.84 118.68 115.04 2enk s LEU 53 Ca 0.38 0.05 0.20 0.00 0.02 0.00 0.00 54.13 54.78 2enk s LEU 53 Cb -0.03 -1.88 1.17 0.00 0.02 0.00 0.00 46.19 45.47 2enk s LEU 53 CO 0.24 0.24 1.89 -0.09 0.02 0.00 0.00 176.35 178.65 2enk h ARG 54 N 6.22 0.30 -0.32 1.70 2.43 -1.86 0.26 114.38 123.11 2enk h ARG 54 Ca -0.39 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 58.63 2enk h ARG 54 Cb 1.18 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2enk h ARG 54 CO 0.64 0.20 -0.32 1.03 -1.51 0.00 0.00 179.97 180.00 2enk h SER 55 N 0.31 0.83 0.30 -3.80 0.87 -1.94 -2.08 113.55 108.03 2enk h SER 55 Ca 0.41 -0.47 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 2enk h SER 55 Cb 1.14 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 2enk h SER 55 CO -0.12 1.13 -0.14 0.44 -0.53 0.00 0.00 176.83 177.61 2enk h ASP 56 N 0.54 -0.34 -0.62 6.23 3.32 -1.41 -2.94 116.42 121.21 2enk h ASP 56 Ca 0.05 -0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.05 2enk h ASP 56 Cb 0.90 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.50 2enk h ASP 56 CO 0.08 -0.08 0.41 0.58 -1.72 0.00 0.00 179.24 178.51 2enk h VAL 57 N -0.61 0.97 0.20 -1.35 2.07 -1.31 -2.25 116.25 113.98 2enk h VAL 57 Ca -0.04 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.29 2enk h VAL 57 Cb 0.44 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2enk h VAL 57 CO 0.07 0.10 -0.52 -0.08 0.02 0.00 0.00 177.57 177.16 2enk h GLU 58 N 0.56 -0.77 -0.83 1.57 4.81 -1.19 -1.63 114.58 117.09 2enk h GLU 58 Ca 0.27 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 2enk h GLU 58 Cb 0.34 0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 2enk h GLU 58 CO -0.08 -0.52 0.48 0.00 -0.73 0.00 0.00 179.01 178.16 2enk h ALA 59 N -0.57 1.28 -0.25 2.92 0.00 -1.44 -1.61 119.26 119.60 2enk h ALA 59 Ca -0.02 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.86 2enk h ALA 59 Cb 0.78 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2enk h ALA 59 CO -0.24 0.60 0.26 -0.22 0.00 0.00 0.00 179.25 179.65 2enk h LYS 60 N 1.15 0.00 0.00 0.00 1.63 -0.80 0.22 116.57 118.77 2enk h LYS 60 Ca 0.30 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.95 2enk h LYS 60 Cb -0.01 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 2enk h LYS 60 CO -0.05 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 0.67 4.20 0.87 -0.37 -3.08 113.55 115.84 2enk h SER 61 Ca 0.12 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.41 2enk h SER 61 Cb 0.63 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.58 2enk h SER 61 CO -0.00 0.64 -1.26 -0.07 -0.53 0.00 0.00 176.83 175.61 2enk h LEU 62 N 0.00 0.32 -0.71 2.23 3.38 -0.51 -2.09 115.31 117.93 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 42.17 2enk h LEU 62 CO 0.07 1.29 -0.37 1.05 0.09 0.00 0.00 178.44 180.58 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 -0.13 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 0.00 179.01 179.83 2enk n VAL 64 N -3.40 0.00 0.29 -1.06 0.31 -1.16 -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 -1.21 0.85 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 -1.56 -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 -1.26 2.97 3.38 1.49 0.00 -0.33 -4.93 105.19 106.52 2enk n GLY 66 Ca -0.03 -0.90 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 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 0.01 -0.36 0.43 1.61 1.04 -1.22 -4.70 113.70 110.52 2enk s SER 67 Ca 0.00 -0.22 0.30 0.00 0.48 0.00 0.00 55.95 56.51 2enk s SER 67 Cb 0.00 0.53 1.23 0.00 0.10 0.00 0.00 66.02 67.89 2enk s SER 67 CO 0.00 -0.92 1.88 1.55 0.98 0.00 0.00 173.24 176.73 2enk h PRO 68 N 2.21 0.00 -0.05 4.02 0.13 -1.90 -2.89 132.00 133.51 2enk h PRO 68 Ca -0.33 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.60 2enk h PRO 68 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2enk h PRO 68 CO 0.42 0.00 -0.81 0.93 -0.23 0.00 0.00 178.00 178.31 2enk h GLU 69 N 0.00 0.40 -0.66 0.86 3.07 -1.98 -2.08 114.58 114.18 2enk h GLU 69 Ca 0.00 -0.36 -0.05 0.00 -0.50 0.00 0.00 59.36 58.45 2enk h GLU 69 Cb 0.43 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.40 2enk h GLU 69 CO 0.00 1.02 0.22 0.00 -1.40 0.00 0.00 179.01 178.85 2enk h ALA 70 N 0.87 0.87 -0.11 3.43 0.00 -1.87 -2.69 119.26 119.77 2enk h ALA 70 Ca -0.05 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.43 2enk h ALA 70 Cb 1.41 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.96 2enk h ALA 70 CO 0.14 0.53 -0.85 1.25 0.00 0.00 0.00 179.25 180.32 2enk h LEU 71 N 0.96 0.89 -1.83 0.00 5.85 -1.63 -3.15 115.31 116.41 2enk h LEU 71 Ca 0.22 -0.62 0.12 0.00 0.84 0.00 0.00 57.88 58.44 2enk h LEU 71 Cb 0.27 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2enk h LEU 71 CO -0.01 1.42 0.37 0.00 -0.34 0.00 0.00 178.44 179.87 2enk h ALA 72 N 0.55 2.24 -0.61 1.25 0.00 -1.23 -0.08 119.26 121.38 2enk h ALA 72 Ca -0.07 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.97 2enk h ALA 72 Cb 1.48 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 2enk h ALA 72 CO 0.17 -0.38 0.42 0.00 0.00 0.00 0.00 179.25 179.46 2enk h ARG 73 N 0.19 0.18 0.05 0.00 3.08 -1.44 -0.05 114.38 116.39 2enk h ARG 73 Ca 0.25 -0.01 -0.35 0.00 0.07 0.00 0.00 59.98 59.94 2enk h ARG 73 Cb 0.73 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.70 2enk h ARG 73 CO -0.04 0.12 -2.06 0.39 -1.07 0.00 0.00 179.97 177.31 2enk n GLU 74 N -4.42 0.69 -0.27 0.04 -0.58 -0.12 -4.23 120.64 111.75 2enk n GLU 74 Ca 0.11 0.21 -0.00 0.00 -0.42 0.00 0.00 57.16 57.07 2enk n GLU 74 Cb 0.55 -1.67 0.21 0.00 -0.57 0.00 0.00 31.44 29.95 2enk n GLU 74 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2enk h LYS 75 N 0.03 1.09 -0.13 3.49 1.57 -0.57 -2.63 116.57 119.41 2enk h LYS 75 Ca -0.43 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.32 2enk h LYS 75 Cb 2.04 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 34.07 2enk h LYS 75 CO 0.05 0.72 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.35 2enk h LYS 76 N 1.12 -0.06 0.54 3.15 3.64 -1.21 0.12 116.57 123.87 2enk h LYS 76 Ca 0.31 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 2enk h LYS 76 Cb -0.12 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2enk h LYS 76 CO -0.07 -0.04 -0.46 -0.07 -2.27 0.00 0.00 179.45 176.54 2enk h LEU 77 N -0.06 -1.23 -1.45 5.20 -0.00 -1.65 0.67 115.31 116.79 2enk h LEU 77 Ca 0.08 0.09 0.18 0.00 -0.00 0.00 0.00 57.88 58.22 2enk h LEU 77 Cb 0.18 0.39 -0.07 0.00 -0.00 0.00 0.00 40.66 41.16 2enk h LEU 77 CO -0.18 -0.63 0.57 0.03 -0.00 0.00 0.00 178.44 178.23 2enk h ARG 78 N -0.97 0.47 0.69 1.13 3.08 -1.40 0.56 114.38 117.95 2enk h ARG 78 Ca -0.07 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 2enk h ARG 78 Cb 0.82 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.77 2enk h ARG 78 CO -0.01 0.31 -0.33 -0.22 -1.07 0.00 0.00 179.97 178.65 2enk h LYS 79 N 0.49 -0.90 -0.19 0.04 3.64 -0.14 -3.02 116.57 116.49 2enk h LYS 79 Ca 0.45 0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.94 2enk h LYS 79 Cb 0.98 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2enk h LYS 79 CO -0.18 -0.58 0.15 0.93 -2.27 0.00 0.00 179.45 177.50 2enk h GLU 80 N -1.19 0.00 -0.29 1.90 4.39 -0.35 -2.31 114.58 116.72 2enk h GLU 80 Ca -0.10 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.67 2enk h GLU 80 Cb 0.73 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.32 2enk h GLU 80 CO 0.16 0.00 -0.10 0.00 -1.16 0.00 0.00 179.01 177.91 2enk h ALA 81 N 1.88 0.16 -0.35 3.43 0.00 -0.77 0.12 119.26 123.72 2enk h ALA 81 Ca 0.09 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2enk h ALA 81 Cb 0.39 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2enk h ALA 81 CO -0.00 -0.49 -0.02 0.93 0.00 0.00 0.00 179.25 179.67 2enk h GLU 82 N -0.04 0.56 -0.19 0.00 5.08 -1.39 -2.00 114.58 116.60 2enk h GLU 82 Ca 0.14 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2enk h GLU 82 Cb 0.26 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2enk h GLU 82 CO -0.32 0.60 0.01 0.82 -1.00 0.00 0.00 179.01 179.11 2enk h ILE 83 N 0.53 1.25 0.00 3.13 2.04 -1.17 0.33 117.51 123.62 2enk h ILE 83 Ca 0.11 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.10 2enk h ILE 83 Cb 0.37 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2enk h ILE 83 CO 0.01 0.25 -0.21 -0.33 0.00 0.00 0.00 178.15 177.88 2enk h GLU 84 N 0.09 0.00 0.11 2.37 4.39 -0.63 0.66 114.58 121.57 2enk h GLU 84 Ca 0.05 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2enk h GLU 84 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2enk h GLU 84 CO 0.01 0.21 -0.05 -0.92 -1.16 0.00 0.00 179.01 177.09 2enk h TYR 85 N 0.00 -0.14 0.00 4.33 3.20 -1.12 -3.29 116.97 119.95 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 0.41 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 2enk h TYR 85 CO 0.00 0.05 -0.04 0.07 -1.64 0.00 0.00 178.16 176.59 2enk h ARG 86 N -1.02 0.00 0.31 1.82 -0.00 -0.93 -2.79 114.38 111.77 2enk h ARG 86 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.96 2enk h ARG 86 Cb 0.24 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.20 2enk h ARG 86 CO 0.02 0.04 -0.33 0.93 -0.00 0.00 0.00 179.97 180.64 2enk h GLU 87 N 0.00 -0.62 -0.01 0.08 4.39 -0.96 -1.68 114.58 115.78 2enk h GLU 87 Ca -0.00 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2enk h GLU 87 Cb 0.08 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2enk h GLU 87 CO 0.01 -0.41 0.01 0.07 -1.16 0.00 0.00 179.01 177.53 2enk h ARG 88 N -0.64 0.00 -0.09 2.33 0.11 -1.60 -2.36 114.38 112.13 2enk h ARG 88 Ca -0.04 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.05 2enk h ARG 88 Cb 0.56 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.63 2enk h ARG 88 CO -0.05 0.00 0.04 -0.07 0.10 0.00 0.00 179.97 179.99 2enk h LEU 89 N 0.00 0.07 -0.53 0.08 4.07 -1.11 -2.28 115.31 115.60 2enk h LEU 89 Ca 0.01 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.93 2enk h LEU 89 Cb 0.03 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 41.74 2enk h LEU 89 CO -0.00 0.05 0.17 -0.26 -1.08 0.00 0.00 178.44 177.33 2enk h PHE 90 N 0.10 0.84 -0.66 1.13 0.04 -0.81 -2.52 116.94 115.06 2enk h PHE 90 Ca 0.04 -0.08 0.14 0.00 2.80 0.00 0.00 57.97 60.87 2enk h PHE 90 Cb 0.01 -0.25 -0.04 0.00 2.20 0.00 0.00 35.95 37.87 2enk h PHE 90 CO -0.09 0.72 0.45 -0.09 -0.60 0.00 0.00 178.31 178.70 2enk h ARG 91 N 0.73 0.27 0.00 1.51 2.43 -1.25 0.30 114.38 118.36 2enk h ARG 91 Ca 0.17 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 2enk h ARG 91 Cb 0.27 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2enk h ARG 91 CO -0.01 0.18 -0.34 -0.97 -1.51 0.00 0.00 179.97 177.32 2enk h ASN 92 N 0.28 0.00 0.00 -3.80 -1.24 -0.96 -3.32 115.58 106.53 2enk h ASN 92 Ca 0.32 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.31 2enk h ASN 92 Cb 0.87 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.92 2enk h ASN 92 CO -0.07 0.34 -0.55 1.56 -1.29 0.00 0.00 177.43 177.42 2enk h GLN 93 N 0.00 0.00 -6.52 6.67 4.20 -0.56 -3.45 115.11 115.46 2enk h GLN 93 Ca -0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 2enk h GLN 93 Cb 0.67 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.39 2enk h GLN 93 CO 0.04 0.07 1.05 0.15 -0.67 0.00 0.00 178.83 179.47 2enk s LYS 94 N -2.23 3.48 0.54 1.46 1.02 0.52 -4.87 119.74 119.66 2enk s LYS 94 Ca -0.15 0.59 0.23 0.00 0.02 0.00 0.00 55.97 56.66 2enk s LYS 94 Cb 0.02 -4.04 1.43 0.00 -0.52 0.00 0.00 37.83 34.72 2enk s LYS 94 CO 0.24 -1.70 2.07 0.97 -0.92 0.00 0.00 175.35 176.00 2enk h ILE 95 N 6.36 0.74 -2.22 2.17 2.10 -1.87 -3.42 117.51 121.37 2enk h ILE 95 Ca -0.26 0.00 0.17 0.00 1.08 0.00 0.00 64.86 65.85 2enk h ILE 95 Cb 1.09 0.84 -0.04 0.00 -1.09 0.00 0.00 36.82 37.61 2enk h ILE 95 CO 1.14 0.00 -0.22 -0.11 -1.08 0.00 0.00 178.15 177.88 2enk n LEU 96 N -4.28 0.00 -3.97 2.19 7.94 -1.26 -4.75 117.00 112.87 2enk n LEU 96 Ca 0.04 0.66 -0.30 0.00 -1.11 0.00 0.00 56.01 55.30 2enk n LEU 96 Cb 0.38 -1.89 -0.16 0.00 0.53 0.00 0.00 43.42 42.28 2enk n LEU 96 CO 0.34 -1.85 -0.45 -0.60 -1.11 0.00 0.00 177.39 173.72 2enk s ARG 97 N -1.01 1.84 -0.78 1.96 3.52 -1.26 -5.02 118.95 118.19 2enk s ARG 97 Ca 0.00 -0.82 0.00 0.00 -0.13 0.00 0.00 55.73 54.78 2enk s ARG 97 Cb 0.00 -2.38 0.36 0.00 -1.56 0.00 0.00 34.95 31.37 2enk s ARG 97 CO 0.00 -0.46 1.72 -1.91 -0.81 0.00 0.00 175.30 173.84 2enk n GLU 98 N 4.71 3.48 -4.38 5.12 2.13 -1.26 -4.99 120.64 125.46 2enk n GLU 98 Ca -0.14 -4.06 -0.20 0.00 0.66 0.00 0.00 57.16 53.43 2enk n GLU 98 Cb 0.46 -2.30 -0.10 0.00 0.27 0.00 0.00 31.44 29.77 2enk n GLU 98 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2enk s TYR 99 N -3.98 1.85 -0.01 4.31 1.51 -1.26 -5.15 117.35 114.61 2enk s TYR 99 Ca 0.48 -0.56 0.05 0.00 -1.01 0.00 0.00 57.07 56.03 2enk s TYR 99 Cb 0.37 -0.89 -0.03 0.00 -0.11 0.00 0.00 41.96 41.30 2enk s TYR 99 CO -0.29 0.40 -0.14 -0.98 -1.11 0.00 0.00 175.55 173.42 2enk s ARG 100 N -3.64 2.39 0.00 -0.62 1.04 -1.26 -5.31 118.95 111.54 2enk s ARG 100 Ca 0.25 -0.78 0.00 0.00 -1.04 0.00 0.00 55.73 54.16 2enk s ARG 100 Cb -0.00 -2.34 0.00 0.00 -2.04 0.00 0.00 34.95 30.56 2enk s ARG 100 CO 0.09 0.60 0.00 -3.47 -0.04 0.00 0.00 175.30 172.48