#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 2.72 -4.73 1.61 7.64 -1.26 -5.08 113.62 114.52 2enk n SER 2 Ca 0.00 -3.00 -0.41 0.00 1.01 0.00 0.00 58.87 56.48 2enk n SER 2 Cb 0.00 -0.49 -0.04 0.00 -1.01 0.00 0.00 64.21 62.67 2enk n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2enk s SER 3 N -3.39 7.29 0.00 6.43 0.15 -1.26 -4.96 113.70 117.96 2enk s SER 3 Ca 0.35 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.55 2enk s SER 3 Cb 0.42 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 2enk s SER 3 CO -0.04 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2enk n GLY 4 N 2.55 4.74 0.26 9.45 0.00 -1.26 -5.03 105.19 115.90 2enk n GLY 4 Ca 0.01 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 2enk n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2enk h SER 5 N 0.00 -0.49 -0.85 1.61 4.64 -2.07 -3.48 113.55 112.91 2enk h SER 5 Ca 0.00 -0.10 0.02 0.00 -0.47 0.00 0.00 61.79 61.24 2enk h SER 5 Cb 0.00 0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2enk h SER 5 CO 0.00 -0.10 -0.03 -0.24 -0.87 0.00 0.00 176.83 175.59 2enk n SER 6 N -5.20 -4.46 -0.68 4.97 2.88 -1.26 -5.04 113.62 104.83 2enk n SER 6 Ca -0.10 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2enk n SER 6 Cb 0.29 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 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 -0.25 -1.48 3.88 0.46 0.00 -1.26 -5.09 105.19 101.44 2enk n GLY 7 Ca 0.00 -0.70 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.37 2.94 -1.44 1.61 1.02 -1.26 -4.54 119.74 116.69 2enk s LYS 8 Ca 0.00 -1.10 -0.11 0.00 0.02 0.00 0.00 55.97 54.78 2enk s LYS 8 Cb 0.00 -2.61 0.04 0.00 -0.52 0.00 0.00 37.83 34.74 2enk s LYS 8 CO 0.00 0.24 1.04 0.66 -0.92 0.00 0.00 175.35 176.37 2enk n TYR 9 N -1.35 -2.56 -0.10 3.18 4.01 -1.26 -4.91 117.16 114.17 2enk n TYR 9 Ca -0.05 0.92 -0.15 0.00 -0.16 0.00 0.00 57.90 58.46 2enk n TYR 9 Cb 0.58 -4.52 -0.06 0.00 -0.31 0.00 0.00 39.34 35.03 2enk n TYR 9 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2enk n THR 10 N -4.82 1.49 -3.21 -0.72 -2.24 -1.26 -5.05 114.28 98.47 2enk n THR 10 Ca 0.01 0.02 -0.07 0.00 -2.27 0.00 0.00 64.05 61.75 2enk n THR 10 Cb 0.55 -2.20 0.01 0.00 -2.10 0.00 0.00 70.33 66.60 2enk n THR 10 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2enk n GLN 11 N -4.46 -1.48 -3.01 -0.78 6.02 -1.26 -4.99 117.38 107.42 2enk n GLN 11 Ca -0.24 1.26 -0.31 0.00 -0.01 0.00 0.00 57.00 57.71 2enk n GLN 11 Cb 0.55 -5.30 -0.04 0.00 1.02 0.00 0.00 30.24 26.48 2enk n GLN 11 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2enk s ASN 12 N -3.08 6.56 0.21 1.08 2.20 -1.26 -4.99 114.94 115.66 2enk s ASN 12 Ca 0.09 1.09 0.14 0.00 -0.94 0.00 0.00 52.86 53.24 2enk s ASN 12 Cb -0.02 -2.30 -0.03 0.00 -2.00 0.00 0.00 41.25 36.91 2enk s ASN 12 CO 0.77 -0.31 1.30 0.78 -2.94 0.00 0.00 177.10 176.70 2enk h ASN 13 N 1.59 0.00 -2.33 3.54 4.21 -1.99 -3.46 115.58 117.14 2enk h ASN 13 Ca -0.47 0.00 -0.49 0.00 1.21 0.00 0.00 56.30 56.54 2enk h ASN 13 Cb 1.18 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.37 2enk h ASN 13 CO 0.65 0.62 -0.45 -0.36 -1.29 0.00 0.00 177.43 176.60 2enk s PHE 14 N -2.90 3.44 -0.07 1.19 0.40 -1.26 -4.37 117.98 114.41 2enk s PHE 14 Ca 0.02 0.02 -0.00 0.00 -0.60 0.00 0.00 56.93 56.38 2enk s PHE 14 Cb 0.08 -1.59 0.02 0.00 0.51 0.00 0.00 43.02 42.04 2enk s PHE 14 CO 0.77 0.47 -0.04 -1.50 0.70 0.00 0.00 175.22 175.63 2enk s ILE 15 N -1.90 0.61 0.86 0.64 2.07 -0.07 -4.88 121.20 118.53 2enk s ILE 15 Ca 0.34 -0.08 -0.10 0.00 -1.41 0.00 0.00 60.65 59.39 2enk s ILE 15 Cb -0.10 -0.68 0.11 0.00 0.13 0.00 0.00 42.46 41.93 2enk s ILE 15 CO 0.28 0.28 1.13 0.28 -1.91 0.00 0.00 174.94 175.01 2enk s THR 16 N 1.47 2.44 0.11 4.00 -1.32 -1.26 -0.30 115.64 120.78 2enk s THR 16 Ca -0.02 0.15 -0.24 0.00 -1.21 0.00 0.00 61.69 60.37 2enk s THR 16 Cb -0.13 -2.33 -0.09 0.00 -1.51 0.00 0.00 72.50 68.43 2enk s THR 16 CO -0.03 -0.18 1.69 1.23 -2.21 0.00 0.00 174.62 175.11 2enk h GLY 17 N -1.57 -0.16 0.33 6.08 0.00 -1.92 -1.57 103.07 104.26 2enk h GLY 17 Ca -0.43 0.13 0.24 0.00 0.00 0.00 0.00 47.33 47.27 2enk h GLY 17 CO 0.45 -0.12 0.60 -0.24 0.00 0.00 0.00 176.54 177.23 2enk h VAL 18 N -0.20 0.58 0.04 4.60 3.04 -1.96 0.28 116.25 122.64 2enk h VAL 18 Ca 0.03 -0.00 -0.28 0.00 -1.01 0.00 0.00 66.70 65.45 2enk h VAL 18 Cb 0.24 0.58 0.02 0.00 -2.01 0.00 0.00 31.29 30.13 2enk h VAL 18 CO -0.09 0.00 -1.10 0.03 -1.01 0.00 0.00 177.57 175.39 2enk h ARG 19 N 0.00 0.67 -0.03 4.17 2.47 -1.67 -2.94 114.38 117.05 2enk h ARG 19 Ca 0.40 -0.78 -0.14 0.00 -1.26 0.00 0.00 59.98 58.20 2enk h ARG 19 Cb 1.59 0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 30.13 2enk h ARG 19 CO -0.01 1.34 -0.64 0.00 0.56 0.00 0.00 179.97 181.23 2enk h ALA 20 N 0.35 0.88 0.00 0.04 0.00 -0.01 -1.15 119.26 119.37 2enk h ALA 20 Ca -0.15 -0.57 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 2enk h ALA 20 Cb 1.77 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 2enk h ALA 20 CO 0.21 0.77 -0.31 0.82 0.00 0.00 0.00 179.25 180.75 2enk h ILE 21 N 0.08 0.75 0.00 0.00 2.04 -0.63 0.24 117.51 119.98 2enk h ILE 21 Ca -0.01 -1.37 -0.19 0.00 1.00 0.00 0.00 64.86 64.29 2enk h ILE 21 Cb 1.14 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 39.06 2enk h ILE 21 CO 0.09 0.31 -1.63 0.59 0.00 0.00 0.00 178.15 177.51 2enk n ASN 22 N -3.47 0.65 -0.07 1.72 4.13 -1.11 -2.83 115.26 114.28 2enk n ASN 22 Ca -0.00 0.29 -0.04 0.00 1.68 0.00 0.00 54.58 56.51 2enk n ASN 22 Cb 0.48 0.44 -0.01 0.00 -1.54 0.00 0.00 39.78 39.15 2enk n ASN 22 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 2enk h GLU 23 N 0.00 0.00 0.00 3.52 5.08 -1.11 -3.38 114.58 118.69 2enk h GLU 23 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 2enk h GLU 23 Cb 1.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.90 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 -0.97 0.00 -5.45 4.33 -1.00 -0.75 -3.48 116.94 109.62 2enk h PHE 24 Ca 0.00 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.62 2enk h PHE 24 Cb 0.48 0.00 0.12 0.00 3.61 0.00 0.00 35.95 40.16 2enk h PHE 24 CO -0.21 0.00 -0.53 0.00 -1.61 0.00 0.00 178.31 175.96 2enk n LEU 26 N -2.69 0.00 -4.96 0.00 4.77 -1.19 -5.04 117.00 107.90 2enk n LEU 26 Ca -0.05 -0.01 -0.24 0.00 -0.03 0.00 0.00 56.01 55.69 2enk n LEU 26 Cb 0.57 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.73 2enk n LEU 26 CO 0.57 -0.04 0.52 -0.54 -1.33 0.00 0.00 177.39 176.57 2enk s LYS 27 N -2.00 2.18 -0.11 3.23 -0.14 -1.26 -4.85 119.74 116.78 2enk s LYS 27 Ca 0.00 -0.59 -0.27 0.00 -1.36 0.00 0.00 55.97 53.76 2enk s LYS 27 Cb -0.00 -2.30 -0.23 0.00 -1.68 0.00 0.00 37.83 33.62 2enk s LYS 27 CO 0.00 -1.13 0.83 1.03 -0.76 0.00 0.00 175.35 175.33 2enk h SER 28 N -0.38 -0.01 0.02 2.83 0.87 -2.00 -3.28 113.55 111.60 2enk h SER 28 Ca -0.42 -0.83 -0.00 0.00 -1.23 0.00 0.00 61.79 59.30 2enk h SER 28 Cb 1.30 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.26 2enk h SER 28 CO 0.53 0.86 -0.01 -1.28 -0.53 0.00 0.00 176.83 176.40 2enk h SER 29 N -0.90 0.00 0.40 6.23 0.87 -2.00 -2.82 113.55 115.34 2enk h SER 29 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 2enk h SER 29 Cb 0.84 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.78 2enk h SER 29 CO 0.00 0.01 -0.40 0.44 -0.53 0.00 0.00 176.83 176.35 2enk h ASP 30 N 0.00 -1.09 -1.00 6.23 3.32 -1.97 -2.33 116.42 119.57 2enk h ASP 30 Ca -0.00 0.09 0.14 0.00 0.02 0.00 0.00 57.03 57.28 2enk h ASP 30 Cb 0.02 0.36 -0.09 0.00 0.22 0.00 0.00 39.33 39.84 2enk h ASP 30 CO 0.00 -0.55 0.62 -0.07 -1.72 0.00 0.00 179.24 177.52 2enk h LEU 31 N -0.82 0.89 -2.12 1.55 -0.00 -1.61 0.18 115.31 113.38 2enk h LEU 31 Ca -0.03 0.06 0.08 0.00 -0.00 0.00 0.00 57.88 57.99 2enk h LEU 31 Cb 0.73 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.27 2enk h LEU 31 CO -0.06 0.43 0.29 -0.33 -0.00 0.00 0.00 178.44 178.77 2enk h GLU 32 N 0.93 0.00 0.00 1.13 4.39 -1.41 0.24 114.58 119.86 2enk h GLU 32 Ca 0.52 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.16 2enk h GLU 32 Cb 0.60 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2enk h GLU 32 CO -0.30 0.00 -0.26 0.37 -1.16 0.00 0.00 179.01 177.66 2enk h GLN 33 N 0.00 0.00 -7.31 2.33 4.15 -0.39 -3.44 115.11 110.44 2enk h GLN 33 Ca 0.14 0.00 -0.49 0.00 0.77 0.00 0.00 58.65 59.07 2enk h GLN 33 Cb 0.71 0.00 0.07 0.00 0.21 0.00 0.00 27.48 28.47 2enk h GLN 33 CO -0.00 0.26 0.33 -0.51 -1.93 0.00 0.00 178.83 176.98 2enk s LEU 34 N -7.35 3.11 -0.01 -2.39 1.43 0.83 -5.02 118.68 109.28 2enk s LEU 34 Ca -0.01 1.05 -0.30 0.00 -1.03 0.00 0.00 54.13 53.83 2enk s LEU 34 Cb 0.12 -3.91 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 2enk s LEU 34 CO 0.65 -1.12 1.10 -0.60 0.23 0.00 0.00 176.35 176.61 2enk s ARG 35 N -5.18 4.45 -0.77 1.70 3.52 -1.26 -4.95 118.95 116.46 2enk s ARG 35 Ca 0.56 1.58 -0.25 0.00 -0.13 0.00 0.00 55.73 57.48 2enk s ARG 35 Cb -0.11 -3.46 -0.02 0.00 -1.56 0.00 0.00 34.95 29.80 2enk s ARG 35 CO 0.50 -0.24 1.80 0.15 -0.81 0.00 0.00 175.30 176.69 2enk s LYS 36 N 1.45 2.74 -0.51 5.12 1.02 -1.26 -4.61 119.74 123.69 2enk s LYS 36 Ca 0.54 0.02 -0.28 0.00 0.02 0.00 0.00 55.97 56.28 2enk s LYS 36 Cb -0.24 -4.71 -0.00 0.00 -0.52 0.00 0.00 37.83 32.35 2enk s LYS 36 CO 0.25 -2.87 1.64 0.42 -0.92 0.00 0.00 175.35 173.87 2enk s ILE 37 N 8.76 3.59 -0.37 2.17 -1.09 0.82 -4.84 121.20 130.24 2enk s ILE 37 Ca 0.63 0.51 0.05 0.00 -2.23 0.00 0.00 60.65 59.61 2enk s ILE 37 Cb -0.09 -4.08 0.57 0.00 -1.58 0.00 0.00 42.46 37.28 2enk s ILE 37 CO 0.09 -0.88 1.70 -1.14 -1.23 0.00 0.00 174.94 173.48 2enk n ARG 38 N 8.71 2.45 -0.01 2.79 0.63 -1.26 -1.15 116.66 128.82 2enk n ARG 38 Ca 0.18 -2.45 0.00 0.00 -0.92 0.00 0.00 57.85 54.65 2enk n ARG 38 Cb 0.49 -1.99 -0.00 0.00 0.45 0.00 0.00 32.46 31.42 2enk n ARG 38 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2enk n ARG 39 N -0.56 -0.01 -3.84 -0.14 1.74 -1.26 -4.78 116.66 107.81 2enk n ARG 39 Ca 0.43 0.01 -0.25 0.00 -0.77 0.00 0.00 57.85 57.27 2enk n ARG 39 Cb 1.36 -0.02 -0.17 0.00 -1.02 0.00 0.00 32.46 32.61 2enk n ARG 39 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2enk s ARG 40 N -0.01 1.02 0.15 5.56 3.52 -1.26 -5.13 118.95 122.80 2enk s ARG 40 Ca 0.00 -0.06 -0.20 0.00 -0.13 0.00 0.00 55.73 55.34 2enk s ARG 40 Cb 0.00 -1.25 0.05 0.00 -1.56 0.00 0.00 34.95 32.20 2enk s ARG 40 CO 0.00 -0.28 0.53 -1.12 -0.81 0.00 0.00 175.30 173.62 2enk s SER 41 N 1.84 -0.43 0.74 -2.12 0.01 -1.26 -5.17 113.70 107.31 2enk s SER 41 Ca 0.05 -0.15 -0.12 0.00 1.31 0.00 0.00 55.95 57.04 2enk s SER 41 Cb -0.12 0.56 0.04 0.00 0.21 0.00 0.00 66.02 66.71 2enk s SER 41 CO -0.06 -0.95 1.10 -2.16 0.41 0.00 0.00 173.24 171.57 2enk s PRO 42 N -3.78 2.40 1.34 12.44 0.04 -1.26 -4.86 135.00 141.32 2enk s PRO 42 Ca 0.02 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2enk s PRO 42 Cb -0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2enk s PRO 42 CO -0.11 -1.54 0.00 1.58 0.04 0.00 0.00 177.00 176.96 2enk n HIS 43 N -3.23 -2.55 -2.24 0.56 -0.00 -1.26 -4.83 115.22 101.67 2enk n HIS 43 Ca 0.09 0.63 -0.05 0.00 0.46 0.00 0.00 57.72 58.86 2enk n HIS 43 Cb 0.53 -0.99 -0.01 0.00 -0.12 0.00 0.00 29.99 29.40 2enk n HIS 43 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 2enk n GLU 44 N -2.71 0.43 -2.67 1.57 0.28 -1.26 -5.00 120.64 111.28 2enk n GLU 44 Ca 0.00 -1.18 -0.37 0.00 -0.16 0.00 0.00 57.16 55.45 2enk n GLU 44 Cb 0.23 0.40 0.01 0.00 1.43 0.00 0.00 31.44 33.51 2enk n GLU 44 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2enk n ASP 45 N -0.43 6.65 -3.74 -1.84 2.03 -1.26 -4.95 116.55 113.00 2enk n ASP 45 Ca -0.22 -3.70 -0.12 0.00 0.52 0.00 0.00 54.79 51.26 2enk n ASP 45 Cb 0.78 -1.01 -0.12 0.00 -0.72 0.00 0.00 41.12 40.05 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 -4.44 -0.03 -0.52 5.18 -4.23 -1.26 -5.12 115.64 105.23 2enk s THR 46 Ca 0.42 0.09 -0.10 0.00 -1.18 0.00 0.00 61.69 60.93 2enk s THR 46 Cb 0.23 -0.40 0.13 0.00 1.34 0.00 0.00 72.50 73.80 2enk s THR 46 CO -0.15 0.04 0.40 -0.70 -0.54 0.00 0.00 174.62 173.67 2enk s GLU 47 N 0.89 2.61 -0.07 3.99 2.56 -1.26 -5.04 118.70 122.38 2enk s GLU 47 Ca -0.06 -1.89 -0.08 0.00 0.00 0.00 0.00 54.97 52.94 2enk s GLU 47 Cb -0.07 -3.98 0.02 0.00 2.00 0.00 0.00 34.13 32.10 2enk s GLU 47 CO -0.06 -1.21 0.21 0.45 -0.56 0.00 0.00 175.26 174.09 2enk s SER 48 N 2.53 -0.19 0.79 -1.70 0.15 -1.26 -5.15 113.70 108.87 2enk s SER 48 Ca 0.07 0.34 -0.15 0.00 0.70 0.00 0.00 55.95 56.92 2enk s SER 48 Cb -0.25 0.41 -0.00 0.00 -1.71 0.00 0.00 66.02 64.47 2enk s SER 48 CO -0.01 -0.13 0.63 2.22 1.20 0.00 0.00 173.24 177.15 2enk n PHE 49 N 2.69 -0.53 -3.41 3.44 1.16 -1.26 -5.00 117.46 114.55 2enk n PHE 49 Ca -0.14 0.33 -0.22 0.00 -1.87 0.00 0.00 57.45 55.56 2enk n PHE 49 Cb 0.58 -1.93 -0.00 0.00 -1.61 0.00 0.00 39.48 36.52 2enk n PHE 49 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 2enk s THR 50 N -2.04 4.50 0.41 1.97 -1.32 -1.26 -5.05 115.64 112.85 2enk s THR 50 Ca 0.65 -0.74 0.07 0.00 -1.21 0.00 0.00 61.69 60.47 2enk s THR 50 Cb -0.31 -3.61 -0.07 0.00 -1.51 0.00 0.00 72.50 67.00 2enk s THR 50 CO 0.58 -0.33 0.08 0.68 -2.21 0.00 0.00 174.62 173.43 2enk s VAL 51 N -2.28 2.15 0.20 5.08 -7.23 -0.30 -4.57 120.40 113.45 2enk s VAL 51 Ca 0.43 -1.87 0.11 0.00 -1.81 0.00 0.00 61.98 58.84 2enk s VAL 51 Cb -0.10 -2.99 -0.04 0.00 0.56 0.00 0.00 36.38 33.81 2enk s VAL 51 CO 0.34 -0.01 -0.21 -0.31 -0.31 0.00 0.00 175.10 174.59 2enk s TYR 52 N -2.66 2.35 -0.14 2.82 2.02 0.59 -0.13 117.35 122.21 2enk s TYR 52 Ca 0.38 -0.34 -0.29 0.00 -0.37 0.00 0.00 57.07 56.45 2enk s TYR 52 Cb 0.07 -1.14 -0.02 0.00 -0.40 0.00 0.00 41.96 40.46 2enk s TYR 52 CO 0.20 0.53 1.34 -1.17 -1.57 0.00 0.00 175.55 174.87 2enk s LEU 53 N -2.79 4.21 0.38 -1.29 1.98 -1.26 -0.89 118.68 119.01 2enk s LEU 53 Ca 0.22 1.80 0.13 0.00 -2.89 0.00 0.00 54.13 53.39 2enk s LEU 53 Cb -0.08 -3.54 0.93 0.00 0.66 0.00 0.00 46.19 44.17 2enk s LEU 53 CO 0.11 -0.79 1.84 -0.09 -1.89 0.00 0.00 176.35 175.53 2enk h ARG 54 N 8.44 0.55 -0.04 1.98 2.43 -1.88 0.27 114.38 126.11 2enk h ARG 54 Ca -0.29 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 58.75 2enk h ARG 54 Cb 1.12 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 2enk h ARG 54 CO 0.96 0.36 -0.43 0.77 -1.51 0.00 0.00 179.97 180.13 2enk h SER 55 N 0.57 0.10 0.12 -3.80 0.02 -1.92 -1.93 113.55 106.70 2enk h SER 55 Ca 0.49 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.39 2enk h SER 55 Cb 0.98 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.50 2enk h SER 55 CO -0.23 0.52 -0.06 0.44 -1.14 0.00 0.00 176.83 176.37 2enk h ASP 56 N 0.08 -0.13 0.03 3.07 3.32 -0.91 -3.23 116.42 118.66 2enk h ASP 56 Ca 0.01 -0.43 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 2enk h ASP 56 Cb 0.79 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 2enk h ASP 56 CO 0.06 0.45 -0.02 0.58 -1.72 0.00 0.00 179.24 178.58 2enk h VAL 57 N -0.80 0.87 -0.79 -1.35 2.07 -1.27 -1.84 116.25 113.13 2enk h VAL 57 Ca -0.02 -0.08 0.12 0.00 0.82 0.00 0.00 66.70 67.54 2enk h VAL 57 Cb 0.56 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 2enk h VAL 57 CO 0.03 0.02 0.52 -0.08 0.02 0.00 0.00 177.57 178.08 2enk h GLU 58 N 0.00 0.62 0.03 1.57 4.81 -1.36 -1.52 114.58 118.73 2enk h GLU 58 Ca -0.00 -0.04 -0.28 0.00 -0.13 0.00 0.00 59.36 58.92 2enk h GLU 58 Cb 0.04 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 2enk h GLU 58 CO 0.00 0.41 -1.50 0.00 -0.73 0.00 0.00 179.01 177.19 2enk h ALA 59 N 1.62 0.54 -0.28 2.92 0.00 -1.44 -3.32 119.26 119.30 2enk h ALA 59 Ca 0.38 -1.24 0.08 0.00 0.00 0.00 0.00 54.91 54.13 2enk h ALA 59 Cb 0.59 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2enk h ALA 59 CO -0.15 1.40 0.29 -0.22 0.00 0.00 0.00 179.25 180.57 2enk h LYS 60 N 0.02 0.00 0.00 0.00 1.63 -0.95 0.24 116.57 117.50 2enk h LYS 60 Ca -0.21 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.44 2enk h LYS 60 Cb 1.95 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.56 2enk h LYS 60 CO 0.11 0.00 -0.91 0.66 -3.45 0.00 0.00 179.45 175.86 2enk h SER 61 N 0.00 0.00 0.64 4.20 4.64 -1.59 -3.10 113.55 118.35 2enk h SER 61 Ca 0.13 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.19 2enk h SER 61 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2enk h SER 61 CO -0.00 0.64 -1.20 -0.07 -0.87 0.00 0.00 176.83 175.33 2enk h LEU 62 N 0.00 0.40 -0.73 5.97 3.38 -0.72 -1.88 115.31 121.73 2enk h LEU 62 Ca -0.07 -0.41 -0.08 0.00 0.09 0.00 0.00 57.88 57.41 2enk h LEU 62 Cb 1.54 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 2enk h LEU 62 CO 0.07 1.31 -0.37 1.05 0.09 0.00 0.00 178.44 180.59 2enk h GLU 63 N 0.08 0.00 0.00 1.13 -0.00 -1.22 -0.79 114.58 113.78 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 1.92 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.67 2enk h GLU 63 CO 0.19 0.37 0.00 0.28 -0.00 0.00 0.00 179.01 179.85 2enk n VAL 64 N -3.41 0.00 0.29 -1.06 0.31 -1.17 -4.43 118.33 108.85 2enk n VAL 64 Ca 0.00 0.36 0.14 0.00 -0.01 0.00 0.00 64.34 64.83 2enk n VAL 64 Cb 0.55 -1.21 0.85 0.00 -0.91 0.00 0.00 33.84 33.11 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 -1.52 -3.46 115.95 118.55 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 0.03 0.00 0.41 -3.56 0.00 0.00 178.44 175.32 2enk n GLY 66 N -1.23 3.09 3.35 1.49 0.00 -0.30 -4.93 105.19 106.66 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 -1.35 0.00 0.00 0.00 173.32 171.97 2enk s SER 67 N 0.00 -0.28 0.42 1.61 1.04 -1.22 -4.69 113.70 110.58 2enk s SER 67 Ca 0.00 -0.30 0.29 0.00 0.48 0.00 0.00 55.95 56.42 2enk s SER 67 Cb 0.00 0.50 1.22 0.00 0.10 0.00 0.00 66.02 67.84 2enk s SER 67 CO 0.00 -0.89 1.87 1.55 0.98 0.00 0.00 173.24 176.75 2enk h PRO 68 N 2.30 0.00 -0.06 4.02 0.13 -1.90 -2.91 132.00 133.57 2enk h PRO 68 Ca -0.33 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.59 2enk h PRO 68 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2enk h PRO 68 CO 0.45 0.00 -0.81 0.93 -0.23 0.00 0.00 178.00 178.34 2enk h GLU 69 N 0.00 0.47 -0.47 0.86 5.08 -1.98 -2.03 114.58 116.50 2enk h GLU 69 Ca 0.00 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2enk h GLU 69 Cb 0.43 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2enk h GLU 69 CO 0.00 1.06 0.30 0.00 -1.00 0.00 0.00 179.01 179.37 2enk h ALA 70 N 0.81 0.60 -0.17 3.43 0.00 -1.87 -2.44 119.26 119.62 2enk h ALA 70 Ca -0.05 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 2enk h ALA 70 Cb 1.41 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2enk h ALA 70 CO 0.14 0.06 -0.72 1.25 0.00 0.00 0.00 179.25 179.98 2enk h LEU 71 N 0.64 0.88 -1.64 0.00 5.85 -1.65 -3.13 115.31 116.26 2enk h LEU 71 Ca 0.17 -0.55 0.15 0.00 0.84 0.00 0.00 57.88 58.50 2enk h LEU 71 Cb -0.06 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.67 2enk h LEU 71 CO -0.04 1.34 0.50 0.00 -0.34 0.00 0.00 178.44 179.90 2enk h ALA 72 N 0.65 2.18 -0.96 1.25 0.00 -1.13 -0.09 119.26 121.17 2enk h ALA 72 Ca -0.03 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.98 2enk h ALA 72 Cb 1.33 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 2enk h ALA 72 CO 0.15 -0.39 0.61 0.00 0.00 0.00 0.00 179.25 179.62 2enk h ARG 73 N 0.35 0.93 0.01 0.00 2.47 -1.38 0.12 114.38 116.89 2enk h ARG 73 Ca 0.36 -0.06 -0.25 0.00 -1.26 0.00 0.00 59.98 58.78 2enk h ARG 73 Cb 0.91 -0.21 -0.03 0.00 -1.65 0.00 0.00 29.97 28.98 2enk h ARG 73 CO -0.10 0.62 -1.32 0.93 0.56 0.00 0.00 179.97 180.65 2enk h GLU 74 N 0.96 0.03 -0.48 0.04 4.39 -1.20 -3.33 114.58 114.99 2enk h GLU 74 Ca 0.46 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 60.01 2enk h GLU 74 Cb 0.44 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 2enk h GLU 74 CO -0.22 0.82 -0.09 0.87 -1.16 0.00 0.00 179.01 179.23 2enk h LYS 75 N 0.01 0.87 -0.79 2.33 1.57 -0.30 -2.92 116.57 117.34 2enk h LYS 75 Ca -0.14 -0.29 0.04 0.00 -1.87 0.00 0.00 60.65 58.39 2enk h LYS 75 Cb 1.89 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 34.08 2enk h LYS 75 CO 0.11 0.93 0.50 -0.22 -0.57 0.00 0.00 179.45 180.20 2enk h LYS 76 N 0.79 0.93 0.59 3.15 3.64 -0.92 0.12 116.57 124.87 2enk h LYS 76 Ca 0.13 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2enk h LYS 76 Cb 0.60 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2enk h LYS 76 CO 0.04 0.62 -0.28 -0.07 -2.27 0.00 0.00 179.45 177.49 2enk h LEU 77 N 0.96 -0.67 -1.94 5.20 -0.00 -1.63 -1.54 115.31 115.70 2enk h LEU 77 Ca 0.32 0.02 0.14 0.00 -0.00 0.00 0.00 57.88 58.36 2enk h LEU 77 Cb 0.04 0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.85 2enk h LEU 77 CO -0.12 -0.47 0.36 0.08 -0.00 0.00 0.00 178.44 178.29 2enk h ARG 78 N -0.80 0.07 0.55 1.13 0.11 -1.47 -1.72 114.38 112.25 2enk h ARG 78 Ca -0.08 -0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.97 2enk h ARG 78 Cb 0.60 -0.01 0.01 0.00 1.11 0.00 0.00 29.97 31.67 2enk h ARG 78 CO 0.13 0.04 -0.26 -0.22 0.10 0.00 0.00 179.97 179.76 2enk h LYS 79 N 0.07 -0.71 0.00 0.08 3.64 -0.50 -2.59 116.57 116.56 2enk h LYS 79 Ca 0.24 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 2enk h LYS 79 Cb 0.88 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2enk h LYS 79 CO -0.02 -0.42 -0.05 0.93 -2.27 0.00 0.00 179.45 177.62 2enk h GLU 80 N -0.88 0.00 -0.32 1.90 4.39 -0.67 -2.37 114.58 116.63 2enk h GLU 80 Ca -0.08 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 2enk h GLU 80 Cb 0.62 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2enk h GLU 80 CO 0.12 0.05 0.16 0.00 -1.16 0.00 0.00 179.01 178.18 2enk h ALA 81 N 1.95 0.41 -0.43 3.43 0.00 -1.07 -0.05 119.26 123.50 2enk h ALA 81 Ca -0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2enk h ALA 81 Cb 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2enk h ALA 81 CO 0.01 -0.04 -0.10 0.93 0.00 0.00 0.00 179.25 180.05 2enk h GLU 82 N 0.39 0.76 -0.26 0.00 5.08 -1.05 -1.66 114.58 117.84 2enk h GLU 82 Ca 0.11 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 2enk h GLU 82 Cb 0.10 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2enk h GLU 82 CO -0.02 0.83 -0.03 0.82 -1.00 0.00 0.00 179.01 179.61 2enk h ILE 83 N 0.69 1.27 0.00 3.13 2.04 -1.22 0.41 117.51 123.83 2enk h ILE 83 Ca 0.12 -1.00 -0.05 0.00 1.00 0.00 0.00 64.86 64.93 2enk h ILE 83 Cb 0.56 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 2enk h ILE 83 CO 0.03 0.31 -0.24 -0.33 0.00 0.00 0.00 178.15 177.92 2enk h GLU 84 N 0.24 0.00 0.03 2.37 4.39 -0.90 -0.18 114.58 120.52 2enk h GLU 84 Ca 0.07 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 2enk h GLU 84 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2enk h GLU 84 CO 0.02 0.24 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.18 2enk h TYR 85 N 0.00 -0.04 0.00 4.33 3.20 -1.07 -3.28 116.97 120.11 2enk h TYR 85 Ca -0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 2enk h TYR 85 Cb 0.53 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 2enk h TYR 85 CO 0.00 0.33 -0.07 0.07 -1.64 0.00 0.00 178.16 176.84 2enk h ARG 86 N -0.99 0.00 0.67 1.82 -0.00 -0.92 -2.61 114.38 112.34 2enk h ARG 86 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.95 2enk h ARG 86 Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.34 2enk h ARG 86 CO 0.01 0.07 -0.41 0.93 -0.00 0.00 0.00 179.97 180.57 2enk h GLU 87 N 0.00 -0.98 0.00 0.08 4.39 -1.13 -2.49 114.58 114.46 2enk h GLU 87 Ca -0.00 0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2enk h GLU 87 Cb 0.16 0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2enk h GLU 87 CO 0.01 -0.65 -0.06 0.07 -1.16 0.00 0.00 179.01 177.22 2enk h ARG 88 N -1.02 0.00 -0.87 2.33 0.11 -1.59 -2.17 114.38 111.18 2enk h ARG 88 Ca -0.09 0.00 0.07 0.00 0.10 0.00 0.00 59.98 60.06 2enk h ARG 88 Cb 0.81 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.84 2enk h ARG 88 CO 0.09 0.06 0.57 -0.07 0.10 0.00 0.00 179.97 180.72 2enk h LEU 89 N 0.00 0.86 -0.01 0.08 4.07 -1.06 0.10 115.31 119.35 2enk h LEU 89 Ca -0.00 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 2enk h LEU 89 Cb 0.14 -0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.70 2enk h LEU 89 CO 0.01 0.55 0.00 -0.26 -1.08 0.00 0.00 178.44 177.66 2enk h PHE 90 N 0.97 0.01 -0.09 1.13 -1.00 -1.16 -2.71 116.94 114.08 2enk h PHE 90 Ca 0.38 -0.00 -0.09 0.00 2.81 0.00 0.00 57.97 61.07 2enk h PHE 90 Cb 0.22 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.77 2enk h PHE 90 CO -0.00 0.10 -0.34 -0.09 -1.61 0.00 0.00 178.31 176.37 2enk h ARG 91 N -0.09 0.17 -0.19 1.51 2.43 -1.52 -2.67 114.38 114.02 2enk h ARG 91 Ca 0.00 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2enk h ARG 91 Cb 0.09 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2enk h ARG 91 CO -0.00 0.49 0.13 -0.97 -1.51 0.00 0.00 179.97 178.11 2enk h ASN 92 N 0.15 0.14 -2.03 -3.80 -1.24 -0.50 -3.27 115.58 105.02 2enk h ASN 92 Ca 0.02 -0.00 -0.75 0.00 0.71 0.00 0.00 56.30 56.28 2enk h ASN 92 Cb 0.67 -0.03 -0.18 0.00 0.73 0.00 0.00 38.32 39.51 2enk h ASN 92 CO 0.05 0.10 1.49 1.67 -1.29 0.00 0.00 177.43 179.44 2enk n GLN 93 N -4.50 3.47 -4.46 6.67 7.27 -1.01 -4.96 117.38 119.86 2enk n GLN 93 Ca 0.01 -3.81 -0.22 0.00 0.07 0.00 0.00 57.00 53.04 2enk n GLN 93 Cb 0.15 -2.98 -0.10 0.00 2.41 0.00 0.00 30.24 29.72 2enk n GLN 93 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 2enk s LYS 94 N 1.02 1.63 0.11 3.69 -2.85 -1.24 -5.01 119.74 117.09 2enk s LYS 94 Ca 0.41 -1.84 0.02 0.00 -1.00 0.00 0.00 55.97 53.56 2enk s LYS 94 Cb 0.00 -1.27 -0.19 0.00 -2.06 0.00 0.00 37.83 34.31 2enk s LYS 94 CO 0.00 0.04 1.25 0.97 0.10 0.00 0.00 175.35 177.71 2enk h ILE 95 N 2.20 1.58 -1.76 3.79 2.10 -1.93 -3.49 117.51 120.00 2enk h ILE 95 Ca -0.41 -3.10 0.22 0.00 1.08 0.00 0.00 64.86 62.65 2enk h ILE 95 Cb 1.24 2.80 -0.04 0.00 -1.09 0.00 0.00 36.82 39.73 2enk h ILE 95 CO 0.69 0.90 0.56 -0.11 -1.08 0.00 0.00 178.15 179.11 2enk n LEU 96 N -3.49 0.00 -4.75 2.19 7.94 -1.26 -5.18 117.00 112.45 2enk n LEU 96 Ca -0.04 -0.23 -0.23 0.00 -1.11 0.00 0.00 56.01 54.39 2enk n LEU 96 Cb 0.94 1.13 -0.06 0.00 0.53 0.00 0.00 43.42 45.96 2enk n LEU 96 CO 0.50 -0.08 -0.24 0.00 -1.11 0.00 0.00 177.39 176.46 2enk s ARG 97 N -2.01 2.67 0.13 1.96 1.70 -1.26 -5.10 118.95 117.04 2enk s ARG 97 Ca 0.19 -1.14 -0.30 0.00 -0.47 0.00 0.00 55.73 54.01 2enk s ARG 97 Cb -0.00 -2.43 -0.06 0.00 -0.57 0.00 0.00 34.95 31.88 2enk s ARG 97 CO -0.01 0.41 0.96 -1.21 -1.08 0.00 0.00 175.30 174.37 2enk s GLU 98 N -3.56 4.73 1.32 3.89 2.02 -1.26 -4.88 118.70 120.96 2enk s GLU 98 Ca 0.31 1.46 0.00 0.00 0.02 0.00 0.00 54.97 56.76 2enk s GLU 98 Cb -0.08 -3.36 0.00 0.00 0.10 0.00 0.00 34.13 30.79 2enk s GLU 98 CO 0.22 0.27 0.00 0.66 0.02 0.00 0.00 175.26 176.43 2enk n TYR 99 N 2.56 -2.53 -3.59 1.61 4.01 -1.26 -4.99 117.16 112.97 2enk n TYR 99 Ca 0.02 0.63 -0.14 0.00 -0.16 0.00 0.00 57.90 58.24 2enk n TYR 99 Cb 0.49 -0.99 -0.06 0.00 -0.31 0.00 0.00 39.34 38.47 2enk n TYR 99 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 2enk s ARG 100 N -0.80 1.00 0.00 -0.72 1.04 -1.26 -5.22 118.95 112.99 2enk s ARG 100 Ca 0.00 -0.20 0.00 0.00 -1.04 0.00 0.00 55.73 54.49 2enk s ARG 100 Cb 0.00 0.46 0.00 0.00 -2.04 0.00 0.00 34.95 33.37 2enk s ARG 100 CO 0.00 -0.35 0.00 -3.47 -0.04 0.00 0.00 175.30 171.44