#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 0.29 0.00 1.61 0.01 -1.26 -5.02 113.70 109.33 2enk s SER 2 Ca 0.00 0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.84 2enk s SER 2 Cb 0.00 0.88 0.00 0.00 0.21 0.00 0.00 66.02 67.11 2enk s SER 2 CO 0.00 -0.25 0.00 -1.20 0.41 0.00 0.00 173.24 172.20 2enk n SER 3 N 5.36 0.00 0.00 2.44 7.64 -1.26 -5.06 113.62 122.74 2enk n SER 3 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2enk n SER 3 Cb 0.50 0.31 0.00 0.00 -1.01 0.00 0.00 64.21 64.01 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 -1.44 2.48 0.74 0.23 0.00 -1.26 -4.97 105.19 100.96 2enk n GLY 4 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2enk n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2enk n SER 5 N 0.00 0.00 0.02 1.61 3.41 -1.26 -5.10 113.62 112.30 2enk n SER 5 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2enk n SER 5 Cb 0.00 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 2enk n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2enk n SER 6 N -2.32 -0.29 -0.22 4.04 7.64 -1.26 -5.13 113.62 116.09 2enk n SER 6 Ca 0.00 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2enk n SER 6 Cb 0.00 0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 2enk n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2enk n GLY 7 N -1.14 -0.35 2.31 0.23 0.00 -1.26 -5.02 105.19 99.95 2enk n GLY 7 Ca 0.00 -0.74 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 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 0.60 2.96 -4.93 1.61 4.76 -1.26 -5.04 118.16 116.85 2enk n LYS 8 Ca 0.00 -3.94 -0.26 0.00 -2.87 0.00 0.00 58.31 51.23 2enk n LYS 8 Cb 0.00 -2.05 -0.16 0.00 -1.84 0.00 0.00 35.03 30.99 2enk n LYS 8 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2enk s TYR 9 N -3.67 1.77 0.10 2.13 1.51 -1.26 -5.00 117.35 112.92 2enk s TYR 9 Ca 0.43 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 56.09 2enk s TYR 9 Cb 0.38 -1.15 0.00 0.00 -0.11 0.00 0.00 41.96 41.07 2enk s TYR 9 CO 0.01 -0.08 0.00 0.25 -1.11 0.00 0.00 175.55 174.62 2enk n THR 10 N 2.77 0.00 0.00 -0.71 -2.24 -1.26 -5.11 114.28 107.73 2enk n THR 10 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2enk n THR 10 Cb 0.53 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 -2.71 0.00 0.03 -0.78 3.00 -1.26 -5.07 117.38 110.60 2enk n GLN 11 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2enk n GLN 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2enk n GLN 11 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2enk n ASN 12 N -2.02 0.17 -0.93 1.08 4.13 -1.26 -5.00 115.26 111.43 2enk n ASN 12 Ca 0.00 0.10 -0.02 0.00 1.68 0.00 0.00 54.58 56.34 2enk n ASN 12 Cb 0.00 0.01 -0.01 0.00 -1.54 0.00 0.00 39.78 38.23 2enk n ASN 12 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2enk n ASN 13 N -3.01 -0.44 -4.62 6.41 5.15 -1.26 -5.15 115.26 112.35 2enk n ASN 13 Ca 0.00 -0.93 -0.31 0.00 -0.60 0.00 0.00 54.58 52.74 2enk n ASN 13 Cb 0.18 0.15 -0.09 0.00 -0.53 0.00 0.00 39.78 39.49 2enk n ASN 13 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2enk s PHE 14 N 0.01 2.89 -0.06 1.20 0.08 -1.26 -4.11 117.98 116.73 2enk s PHE 14 Ca 0.01 -0.06 0.04 0.00 0.12 0.00 0.00 56.93 57.04 2enk s PHE 14 Cb 0.03 -1.55 -0.02 0.00 -0.57 0.00 0.00 43.02 40.91 2enk s PHE 14 CO -0.01 0.42 -0.18 -1.50 -0.10 0.00 0.00 175.22 173.85 2enk s ILE 15 N -1.14 2.71 0.71 0.64 2.07 0.48 -4.69 121.20 121.99 2enk s ILE 15 Ca 0.21 -0.83 -0.16 0.00 -1.41 0.00 0.00 60.65 58.45 2enk s ILE 15 Cb -0.11 -2.05 0.03 0.00 0.13 0.00 0.00 42.46 40.45 2enk s ILE 15 CO 0.12 0.57 1.24 0.42 -1.91 0.00 0.00 174.94 175.38 2enk s THR 16 N -0.37 2.16 0.03 4.00 -4.23 -1.26 -0.40 115.64 115.57 2enk s THR 16 Ca 0.03 0.09 -0.16 0.00 -1.18 0.00 0.00 61.69 60.47 2enk s THR 16 Cb -0.12 -2.77 -0.08 0.00 1.34 0.00 0.00 72.50 70.86 2enk s THR 16 CO 0.02 -0.04 1.24 1.23 -0.54 0.00 0.00 174.62 176.54 2enk h GLY 17 N -0.08 -0.75 0.25 3.99 0.00 -1.90 -2.39 103.07 102.19 2enk h GLY 17 Ca -0.49 0.31 0.15 0.00 0.00 0.00 0.00 47.33 47.30 2enk h GLY 17 CO 0.50 -0.26 0.48 -2.08 0.00 0.00 0.00 176.54 175.18 2enk h VAL 18 N -0.53 0.75 -0.36 4.60 2.07 -1.93 0.26 116.25 121.12 2enk h VAL 18 Ca -0.05 -0.23 0.10 0.00 0.82 0.00 0.00 66.70 67.34 2enk h VAL 18 Cb 0.42 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2enk h VAL 18 CO 0.05 0.12 0.31 0.03 0.02 0.00 0.00 177.57 178.10 2enk h ARG 19 N 0.68 0.00 0.06 1.57 3.08 -1.91 0.85 114.38 118.71 2enk h ARG 19 Ca 0.48 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 60.22 2enk h ARG 19 Cb 0.66 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 2enk h ARG 19 CO -0.35 0.00 -1.68 0.00 -1.07 0.00 0.00 179.97 176.87 2enk n ALA 20 N -2.47 0.87 0.29 0.04 0.00 0.72 -2.66 120.51 117.30 2enk n ALA 20 Ca 0.06 -0.58 0.15 0.00 0.00 0.00 0.00 53.44 53.07 2enk n ALA 20 Cb 0.48 -0.57 0.89 0.00 0.00 0.00 0.00 19.45 20.26 2enk n ALA 20 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2enk h ILE 21 N -0.50 0.55 0.00 0.00 2.04 -0.43 0.23 117.51 119.40 2enk h ILE 21 Ca -0.41 -0.06 -0.21 0.00 1.00 0.00 0.00 64.86 65.18 2enk h ILE 21 Cb 1.66 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.75 2enk h ILE 21 CO -0.09 0.01 -1.15 0.78 0.00 0.00 0.00 178.15 177.71 2enk h ASN 22 N 0.00 0.00 0.82 1.72 2.35 -1.00 -2.19 115.58 117.27 2enk h ASN 22 Ca -0.00 -0.52 -0.04 0.00 -0.55 0.00 0.00 56.30 55.19 2enk h ASN 22 Cb 0.04 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.42 2enk h ASN 22 CO 0.00 1.43 -0.39 -0.33 -1.65 0.00 0.00 177.43 176.49 2enk h GLU 23 N -1.00 -1.06 0.00 0.81 4.39 -1.32 -2.98 114.58 113.43 2enk h GLU 23 Ca -0.31 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.46 2enk h GLU 23 Cb 1.26 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 30.15 2enk h GLU 23 CO -0.19 -0.70 0.00 0.74 -1.16 0.00 0.00 179.01 177.70 2enk h PHE 24 N -1.30 0.00 -5.58 4.33 -1.00 -0.78 -3.48 116.94 109.14 2enk h PHE 24 Ca -0.11 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.46 2enk h PHE 24 Cb 0.84 0.00 0.12 0.00 3.61 0.00 0.00 35.95 40.52 2enk h PHE 24 CO -0.00 0.00 -0.62 0.00 -1.61 0.00 0.00 178.31 176.08 2enk n LEU 26 N -2.89 0.00 -4.86 0.00 4.77 -0.85 -5.01 117.00 108.16 2enk n LEU 26 Ca -0.06 -0.36 -0.33 0.00 -0.03 0.00 0.00 56.01 55.23 2enk n LEU 26 Cb 0.58 0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.64 2enk n LEU 26 CO 0.58 -0.15 0.21 -0.54 -1.33 0.00 0.00 177.39 176.16 2enk s LYS 27 N -2.24 3.86 0.50 3.23 1.02 -1.26 -4.86 119.74 119.99 2enk s LYS 27 Ca 0.02 0.34 0.21 0.00 0.02 0.00 0.00 55.97 56.55 2enk s LYS 27 Cb -0.00 -2.77 1.31 0.00 -0.52 0.00 0.00 37.83 35.84 2enk s LYS 27 CO 0.01 0.39 2.08 0.77 -0.92 0.00 0.00 175.35 177.68 2enk h SER 28 N 2.98 0.00 0.87 2.83 0.02 -2.00 -2.04 113.55 116.21 2enk h SER 28 Ca -0.48 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.24 2enk h SER 28 Cb 1.18 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 2enk h SER 28 CO 0.68 0.11 -1.19 0.28 -1.14 0.00 0.00 176.83 175.57 2enk h SER 29 N 0.00 0.00 -0.24 3.07 0.02 -2.01 -3.34 113.55 111.06 2enk h SER 29 Ca -0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2enk h SER 29 Cb 0.24 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 2enk h SER 29 CO 0.01 0.98 0.02 0.44 -1.14 0.00 0.00 176.83 177.15 2enk h ASP 30 N 0.00 -0.04 -0.67 3.07 5.19 -1.76 -2.33 116.42 119.88 2enk h ASP 30 Ca -0.09 0.05 0.07 0.00 -0.62 0.00 0.00 57.03 56.44 2enk h ASP 30 Cb 1.83 0.07 -0.06 0.00 0.18 0.00 0.00 39.33 41.35 2enk h ASP 30 CO 0.11 0.01 0.35 -0.07 -3.12 0.00 0.00 179.24 176.52 2enk h LEU 31 N 0.11 0.50 -2.02 1.55 -0.00 -1.67 -0.26 115.31 113.52 2enk h LEU 31 Ca 0.11 0.04 0.14 0.00 -0.00 0.00 0.00 57.88 58.17 2enk h LEU 31 Cb 0.13 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 40.72 2enk h LEU 31 CO -0.17 0.31 0.36 -0.33 -0.00 0.00 0.00 178.44 178.61 2enk h GLU 32 N 0.63 0.00 -0.35 1.13 5.08 -1.54 0.67 114.58 120.21 2enk h GLU 32 Ca 0.31 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.58 2enk h GLU 32 Cb 0.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2enk h GLU 32 CO -0.21 0.00 -0.15 0.37 -1.00 0.00 0.00 179.01 178.02 2enk h GLN 33 N 0.00 0.62 0.00 2.33 4.15 -0.80 -3.45 115.11 117.97 2enk h GLN 33 Ca 0.23 -0.20 -0.36 0.00 0.77 0.00 0.00 58.65 59.09 2enk h GLN 33 Cb 0.95 -0.05 0.19 0.00 0.21 0.00 0.00 27.48 28.78 2enk h GLN 33 CO -0.00 0.75 -0.03 1.28 -1.93 0.00 0.00 178.83 178.90 2enk n LEU 34 N -4.16 0.00 -4.67 -2.39 4.77 0.23 -4.93 117.00 105.85 2enk n LEU 34 Ca 0.01 -0.95 -0.43 0.00 -0.03 0.00 0.00 56.01 54.61 2enk n LEU 34 Cb 0.36 -0.93 -0.02 0.00 -2.33 0.00 0.00 43.42 40.50 2enk n LEU 34 CO 0.42 -2.43 1.00 -0.60 -1.33 0.00 0.00 177.39 174.45 2enk s ARG 35 N -5.13 4.28 -0.71 3.23 3.52 -1.26 -4.96 118.95 117.92 2enk s ARG 35 Ca 0.64 1.59 -0.26 0.00 -0.13 0.00 0.00 55.73 57.57 2enk s ARG 35 Cb -0.09 -3.67 0.00 0.00 -1.56 0.00 0.00 34.95 29.64 2enk s ARG 35 CO 0.52 -0.59 1.59 0.15 -0.81 0.00 0.00 175.30 176.15 2enk s LYS 36 N 2.99 2.92 -0.75 5.12 -0.14 -1.26 -4.81 119.74 123.80 2enk s LYS 36 Ca 0.53 0.09 -0.26 0.00 -1.36 0.00 0.00 55.97 54.97 2enk s LYS 36 Cb -0.21 -4.39 0.00 0.00 -1.68 0.00 0.00 37.83 31.56 2enk s LYS 36 CO 0.15 -2.49 1.59 0.42 -0.76 0.00 0.00 175.35 174.27 2enk s ILE 37 N 7.46 3.58 0.07 2.17 -1.09 -1.17 -4.98 121.20 127.24 2enk s ILE 37 Ca 0.52 0.10 -0.18 0.00 -2.23 0.00 0.00 60.65 58.85 2enk s ILE 37 Cb -0.10 -4.47 -0.07 0.00 -1.58 0.00 0.00 42.46 36.25 2enk s ILE 37 CO 0.15 -1.42 0.55 -0.13 -1.23 0.00 0.00 174.94 172.87 2enk s ARG 38 N 6.27 4.15 0.27 2.79 0.52 -1.26 -3.37 118.95 128.32 2enk s ARG 38 Ca 0.52 0.68 0.00 0.00 -0.52 0.00 0.00 55.73 56.41 2enk s ARG 38 Cb -0.09 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 32.18 2enk s ARG 38 CO 0.12 0.63 0.00 0.54 0.02 0.00 0.00 175.30 176.61 2enk n ARG 39 N 1.65 0.00 -1.69 3.54 1.74 -1.26 -5.08 116.66 115.56 2enk n ARG 39 Ca -0.10 0.00 -0.52 0.00 -0.77 0.00 0.00 57.85 56.46 2enk n ARG 39 Cb 0.51 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.89 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 -3.28 1.80 -1.75 5.56 5.12 -1.26 -4.94 116.66 117.90 2enk n ARG 40 Ca 0.00 0.66 -0.31 0.00 -1.93 0.00 0.00 57.85 56.27 2enk n ARG 40 Cb 0.00 -2.44 0.03 0.00 -1.16 0.00 0.00 32.46 28.89 2enk n ARG 40 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2enk s SER 41 N 3.79 5.78 -0.51 0.55 1.04 -1.26 -4.96 113.70 118.12 2enk s SER 41 Ca 0.94 1.46 -0.27 0.00 0.48 0.00 0.00 55.95 58.57 2enk s SER 41 Cb -0.83 -2.42 -0.02 0.00 0.10 0.00 0.00 66.02 62.85 2enk s SER 41 CO 0.56 -1.17 1.80 -2.16 0.98 0.00 0.00 173.24 173.26 2enk s PRO 42 N -5.14 2.93 0.18 4.02 0.04 -1.26 -4.65 135.00 131.11 2enk s PRO 42 Ca 0.57 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.49 2enk s PRO 42 Cb -0.12 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 30.12 2enk s PRO 42 CO 0.54 -2.36 0.00 1.58 0.04 0.00 0.00 177.00 176.80 2enk n HIS 43 N 11.65 -1.48 0.06 0.56 -0.00 -1.26 -4.91 115.22 119.85 2enk n HIS 43 Ca 0.21 0.26 -0.11 0.00 0.46 0.00 0.00 57.72 58.54 2enk n HIS 43 Cb 0.50 0.46 -0.13 0.00 -0.12 0.00 0.00 29.99 30.70 2enk n HIS 43 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 2enk h GLU 44 N 0.00 0.11 -6.01 1.57 5.08 -1.93 -3.49 114.58 109.90 2enk h GLU 44 Ca 0.00 -0.18 -0.37 0.00 -1.00 0.00 0.00 59.36 57.81 2enk h GLU 44 Cb 0.00 0.07 0.11 0.00 0.50 0.00 0.00 28.75 29.43 2enk h GLU 44 CO 0.00 1.01 -0.88 -3.47 -1.00 0.00 0.00 179.01 174.67 2enk n ASP 45 N -3.37 -5.77 0.00 1.42 2.03 -1.26 -4.76 116.55 104.83 2enk n ASP 45 Ca -0.07 -0.90 0.00 0.00 0.52 0.00 0.00 54.79 54.34 2enk n ASP 45 Cb 0.99 -3.86 0.00 0.00 -0.72 0.00 0.00 41.12 37.53 2enk n ASP 45 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2enk n THR 46 N -3.80 0.00 -4.00 5.18 5.66 -1.26 -5.08 114.28 110.98 2enk n THR 46 Ca -0.09 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.60 2enk n THR 46 Cb 0.60 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.23 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 -0.94 1.53 -0.29 1.09 2.12 -1.26 -5.05 118.70 115.89 2enk s GLU 47 Ca 0.00 -1.87 -0.16 0.00 0.36 0.00 0.00 54.97 53.30 2enk s GLU 47 Cb 0.00 -3.24 0.14 0.00 0.26 0.00 0.00 34.13 31.29 2enk s GLU 47 CO 0.00 -0.95 0.94 -1.12 -0.54 0.00 0.00 175.26 173.59 2enk s SER 48 N 0.98 -0.58 0.25 -1.70 0.01 -1.26 -4.97 113.70 106.44 2enk s SER 48 Ca 0.11 0.90 0.12 0.00 1.31 0.00 0.00 55.95 58.38 2enk s SER 48 Cb -0.19 1.34 -0.05 0.00 0.21 0.00 0.00 66.02 67.33 2enk s SER 48 CO -0.08 -0.14 -0.21 0.72 0.41 0.00 0.00 173.24 173.95 2enk s PHE 49 N 1.62 2.27 -0.33 2.43 -0.71 -1.26 -5.12 117.98 116.88 2enk s PHE 49 Ca -0.08 -0.34 -0.13 0.00 -1.04 0.00 0.00 56.93 55.34 2enk s PHE 49 Cb -0.04 -1.02 -0.02 0.00 -1.21 0.00 0.00 43.02 40.72 2enk s PHE 49 CO -0.16 0.65 0.24 0.99 -1.34 0.00 0.00 175.22 175.60 2enk s THR 50 N -2.29 5.29 0.97 -4.49 2.01 -1.26 -4.89 115.64 110.97 2enk s THR 50 Ca 0.27 -0.15 -0.15 0.00 0.31 0.00 0.00 61.69 61.97 2enk s THR 50 Cb -0.06 -3.69 0.22 0.00 0.01 0.00 0.00 72.50 68.98 2enk s THR 50 CO 0.13 0.02 1.33 0.68 -0.69 0.00 0.00 174.62 176.09 2enk s VAL 51 N 1.74 2.00 0.32 3.82 -7.23 -1.22 -3.99 120.40 115.85 2enk s VAL 51 Ca 0.06 -0.05 0.03 0.00 -1.81 0.00 0.00 61.98 60.21 2enk s VAL 51 Cb -0.17 -2.95 -0.02 0.00 0.56 0.00 0.00 36.38 33.80 2enk s VAL 51 CO 0.11 0.00 0.33 -0.31 -0.31 0.00 0.00 175.10 174.92 2enk s TYR 52 N -3.89 1.45 -0.25 2.82 2.02 0.47 -3.03 117.35 116.93 2enk s TYR 52 Ca 0.76 -1.50 -0.10 0.00 -0.37 0.00 0.00 57.07 55.86 2enk s TYR 52 Cb -0.02 -0.48 -0.04 0.00 -0.40 0.00 0.00 41.96 41.01 2enk s TYR 52 CO 0.53 -0.94 0.14 -0.51 -1.57 0.00 0.00 175.55 173.20 2enk s LEU 53 N -3.30 3.89 0.56 -1.29 1.43 -1.26 -0.39 118.68 118.32 2enk s LEU 53 Ca 0.37 -0.02 0.28 0.00 -1.03 0.00 0.00 54.13 53.73 2enk s LEU 53 Cb 0.02 -2.06 1.47 0.00 0.03 0.00 0.00 46.19 45.65 2enk s LEU 53 CO 0.24 0.00 1.97 0.03 0.23 0.00 0.00 176.35 178.82 2enk h ARG 54 N 7.99 0.00 -0.04 1.70 3.08 -1.92 0.27 114.38 125.46 2enk h ARG 54 Ca -0.37 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.53 2enk h ARG 54 Cb 1.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.22 2enk h ARG 54 CO 0.59 0.00 -0.68 0.66 -1.07 0.00 0.00 179.97 179.47 2enk h SER 55 N 0.00 0.21 0.02 7.04 4.64 -1.93 -2.71 113.55 120.82 2enk h SER 55 Ca 0.23 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 2enk h SER 55 Cb 1.04 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2enk h SER 55 CO -0.00 0.83 -0.11 0.44 -0.87 0.00 0.00 176.83 177.12 2enk h ASP 56 N 0.12 0.06 -0.17 4.97 5.19 -0.96 -3.30 116.42 122.33 2enk h ASP 56 Ca -0.02 -0.99 0.05 0.00 -0.62 0.00 0.00 57.03 55.45 2enk h ASP 56 Cb 1.22 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.70 2enk h ASP 56 CO 0.10 1.05 0.17 0.58 -3.12 0.00 0.00 179.24 178.02 2enk h VAL 57 N -0.92 0.58 -0.24 -1.35 2.07 -1.18 -2.00 116.25 113.21 2enk h VAL 57 Ca -0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.53 2enk h VAL 57 Cb 1.08 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2enk h VAL 57 CO 0.02 0.00 0.05 -0.08 0.02 0.00 0.00 177.57 177.58 2enk h GLU 58 N 0.00 0.14 -0.16 1.57 4.81 -1.55 -2.37 114.58 117.01 2enk h GLU 58 Ca 0.08 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.16 2enk h GLU 58 Cb 0.41 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2enk h GLU 58 CO -0.00 0.09 -0.50 0.00 -0.73 0.00 0.00 179.01 177.88 2enk h ALA 59 N 1.17 0.84 -0.24 2.92 0.00 -1.51 -2.89 119.26 119.55 2enk h ALA 59 Ca 0.11 -0.48 0.07 0.00 0.00 0.00 0.00 54.91 54.60 2enk h ALA 59 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2enk h ALA 59 CO -0.14 0.67 0.23 -0.22 0.00 0.00 0.00 179.25 179.79 2enk h LYS 60 N 0.35 0.00 0.00 0.00 1.63 -1.14 0.21 116.57 117.62 2enk h LYS 60 Ca 0.02 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.67 2enk h LYS 60 Cb 1.00 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.60 2enk h LYS 60 CO 0.09 0.00 -0.85 0.66 -3.45 0.00 0.00 179.45 175.90 2enk h SER 61 N 0.00 0.00 0.63 4.20 4.64 -1.25 -3.05 113.55 118.72 2enk h SER 61 Ca 0.11 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.16 2enk h SER 61 Cb 0.58 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 2enk h SER 61 CO -0.00 0.65 -1.37 -0.07 -0.87 0.00 0.00 176.83 175.17 2enk h LEU 62 N 0.00 0.23 -0.75 5.97 3.38 -0.72 -2.34 115.31 121.09 2enk h LEU 62 Ca -0.05 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 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 0.08 1.25 -0.37 1.05 0.09 0.00 0.00 178.44 180.54 2enk h GLU 63 N 0.04 0.00 0.00 1.13 -0.00 -0.98 -0.94 114.58 113.83 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 0.37 0.00 0.28 -0.00 0.00 0.00 179.01 179.81 2enk n VAL 64 N -3.42 0.00 0.29 -1.06 0.31 -1.15 -4.46 118.33 108.85 2enk n VAL 64 Ca 0.00 0.34 0.14 0.00 -0.01 0.00 0.00 64.34 64.82 2enk n VAL 64 Cb 0.54 -1.20 0.87 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 -1.60 -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 -1.33 3.09 3.36 1.49 0.00 -0.36 -4.93 105.19 106.52 2enk n GLY 66 Ca -0.03 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 2enk n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2enk s SER 67 N 0.00 -0.31 0.55 1.61 0.01 -1.22 -4.69 113.70 109.65 2enk s SER 67 Ca 0.00 -0.28 0.34 0.00 1.31 0.00 0.00 55.95 57.33 2enk s SER 67 Cb 0.00 0.51 1.41 0.00 0.21 0.00 0.00 66.02 68.15 2enk s SER 67 CO 0.00 -0.90 2.00 1.55 0.41 0.00 0.00 173.24 176.30 2enk h PRO 68 N 2.27 0.00 0.00 12.44 0.13 -1.91 -2.80 132.00 142.13 2enk h PRO 68 Ca -0.33 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.66 2enk h PRO 68 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 2enk h PRO 68 CO 0.44 0.00 -0.63 0.93 -0.23 0.00 0.00 178.00 178.51 2enk h GLU 69 N 0.00 0.00 -0.12 0.86 5.08 -1.98 -2.10 114.58 116.32 2enk h GLU 69 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2enk h GLU 69 Cb 0.49 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2enk h GLU 69 CO 0.00 0.63 -0.09 0.00 -1.00 0.00 0.00 179.01 178.55 2enk h ALA 70 N 1.37 0.17 -0.38 3.43 0.00 -1.85 -3.10 119.26 118.90 2enk h ALA 70 Ca -0.01 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 2enk h ALA 70 Cb 1.14 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2enk h ALA 70 CO 0.08 -0.01 -0.29 1.25 0.00 0.00 0.00 179.25 180.29 2enk h LEU 71 N -0.10 0.85 -2.15 0.00 5.85 -1.62 -2.76 115.31 115.38 2enk h LEU 71 Ca 0.02 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.48 2enk h LEU 71 Cb 0.58 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2enk h LEU 71 CO 0.02 1.08 0.26 0.00 -0.34 0.00 0.00 178.44 179.46 2enk h ALA 72 N 0.98 1.93 -0.62 1.25 0.00 -1.38 -0.28 119.26 121.13 2enk h ALA 72 Ca 0.08 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2enk h ALA 72 Cb 0.83 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2enk h ALA 72 CO 0.07 -0.39 0.41 0.00 0.00 0.00 0.00 179.25 179.34 2enk h ARG 73 N 0.00 0.71 0.00 0.00 2.47 -1.41 -0.03 114.38 116.12 2enk h ARG 73 Ca 0.12 -0.04 -0.25 0.00 -1.26 0.00 0.00 59.98 58.54 2enk h ARG 73 Cb 0.65 -0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 28.76 2enk h ARG 73 CO -0.00 0.47 -1.56 0.93 0.56 0.00 0.00 179.97 180.37 2enk h GLU 74 N 0.74 0.00 -0.38 0.04 4.39 -1.23 -3.28 114.58 114.85 2enk h GLU 74 Ca 0.25 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.84 2enk h GLU 74 Cb 0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2enk h GLU 74 CO -0.07 0.49 -0.21 0.87 -1.16 0.00 0.00 179.01 178.93 2enk h LYS 75 N 0.00 0.75 -0.16 2.33 1.57 -0.89 -2.82 116.57 117.34 2enk h LYS 75 Ca -0.23 -0.30 -0.15 0.00 -1.87 0.00 0.00 60.65 58.11 2enk h LYS 75 Cb 1.89 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 34.15 2enk h LYS 75 CO 0.08 0.90 -0.53 -0.22 -0.57 0.00 0.00 179.45 179.11 2enk h LYS 76 N 0.66 0.46 0.83 3.15 1.63 -1.16 -2.45 116.57 119.69 2enk h LYS 76 Ca 0.09 -0.28 -0.04 0.00 -0.85 0.00 0.00 60.65 59.57 2enk h LYS 76 Cb 0.71 0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.38 2enk h LYS 76 CO 0.05 0.88 -0.40 -0.07 -3.45 0.00 0.00 179.45 176.46 2enk h LEU 77 N 0.36 -0.94 -1.97 5.20 3.38 -1.58 0.17 115.31 119.93 2enk h LEU 77 Ca 0.01 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2enk h LEU 77 Cb 1.04 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 2enk h LEU 77 CO 0.09 -0.67 -0.01 0.08 0.09 0.00 0.00 178.44 178.03 2enk h ARG 78 N -1.13 0.01 0.31 1.13 0.11 -1.57 -0.38 114.38 112.86 2enk h ARG 78 Ca -0.11 -0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.95 2enk h ARG 78 Cb 0.86 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.94 2enk h ARG 78 CO 0.19 0.02 -0.15 -0.22 0.10 0.00 0.00 179.97 179.91 2enk h LYS 79 N 0.01 -0.41 -0.66 0.08 3.64 -1.10 -3.15 116.57 114.99 2enk h LYS 79 Ca 0.00 0.03 0.14 0.00 -1.27 0.00 0.00 60.65 59.55 2enk h LYS 79 Cb 0.02 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 2enk h LYS 79 CO 0.00 -0.27 0.45 0.93 -2.27 0.00 0.00 179.45 178.29 2enk h GLU 80 N -0.77 0.30 -0.44 1.90 4.39 -0.59 -1.53 114.58 117.84 2enk h GLU 80 Ca -0.04 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.71 2enk h GLU 80 Cb 0.32 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.85 2enk h GLU 80 CO 0.07 0.20 0.08 0.00 -1.16 0.00 0.00 179.01 178.19 2enk h ALA 81 N 1.68 0.47 -0.11 3.43 0.00 -1.11 0.67 119.26 124.29 2enk h ALA 81 Ca 0.32 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.24 2enk h ALA 81 Cb 0.82 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2enk h ALA 81 CO -0.08 -0.33 -0.30 0.93 0.00 0.00 0.00 179.25 179.47 2enk h GLU 82 N 0.20 0.21 -0.28 0.00 5.08 -1.24 -2.63 114.58 115.94 2enk h GLU 82 Ca 0.21 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 2enk h GLU 82 Cb 0.28 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2enk h GLU 82 CO -0.29 0.50 -0.11 0.82 -1.00 0.00 0.00 179.01 178.93 2enk h ILE 83 N 0.19 1.29 -0.11 3.13 2.04 -0.95 -1.04 117.51 122.06 2enk h ILE 83 Ca 0.03 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 64.66 2enk h ILE 83 Cb 0.64 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 2enk h ILE 83 CO 0.05 0.37 -0.13 -0.33 0.00 0.00 0.00 178.15 178.11 2enk h GLU 84 N 0.31 0.17 0.25 2.37 5.08 -0.79 0.44 114.58 122.40 2enk h GLU 84 Ca 0.06 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2enk h GLU 84 Cb 0.61 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2enk h GLU 84 CO 0.04 0.31 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.32 2enk h TYR 85 N 0.17 -0.31 -0.07 4.33 3.20 -1.31 -3.24 116.97 119.73 2enk h TYR 85 Ca 0.03 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.92 2enk h TYR 85 Cb 0.34 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 2enk h TYR 85 CO 0.00 -0.19 0.08 0.07 -1.64 0.00 0.00 178.16 176.48 2enk h ARG 86 N -1.09 0.00 0.27 1.82 -0.00 -1.19 -2.56 114.38 111.62 2enk h ARG 86 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.93 2enk h ARG 86 Cb 0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.22 2enk h ARG 86 CO 0.06 0.00 -0.17 0.93 -0.00 0.00 0.00 179.97 180.79 2enk h GLU 87 N 0.00 -0.39 -0.12 0.08 4.39 -0.97 -2.68 114.58 114.89 2enk h GLU 87 Ca 0.04 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.80 2enk h GLU 87 Cb 0.19 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 2enk h GLU 87 CO -0.00 -0.26 0.11 0.07 -1.16 0.00 0.00 179.01 177.77 2enk h ARG 88 N -0.41 0.00 -0.85 2.33 0.11 -1.55 -1.53 114.38 112.47 2enk h ARG 88 Ca -0.04 0.00 0.19 0.00 0.10 0.00 0.00 59.98 60.23 2enk h ARG 88 Cb 0.33 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.35 2enk h ARG 88 CO 0.03 0.00 0.57 1.25 0.10 0.00 0.00 179.97 181.92 2enk h LEU 89 N 0.00 0.38 -0.61 0.08 5.85 -1.11 0.12 115.31 120.03 2enk h LEU 89 Ca 0.06 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.68 2enk h LEU 89 Cb 0.27 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2enk h LEU 89 CO -0.00 0.17 -0.31 -0.26 -0.34 0.00 0.00 178.44 177.69 2enk h PHE 90 N 0.39 0.89 -0.22 1.25 -1.00 -1.20 -2.56 116.94 114.50 2enk h PHE 90 Ca 0.44 -0.23 -0.14 0.00 2.81 0.00 0.00 57.97 60.84 2enk h PHE 90 Cb 1.09 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 40.44 2enk h PHE 90 CO -0.00 0.98 -0.45 0.00 -1.61 0.00 0.00 178.31 177.23 2enk h ARG 91 N 0.65 0.54 0.00 1.51 -0.00 -0.92 -2.86 114.38 113.30 2enk h ARG 91 Ca 0.07 -0.30 -0.07 0.00 -0.50 0.00 0.00 59.98 59.19 2enk h ARG 91 Cb 0.84 0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.82 2enk h ARG 91 CO 0.07 0.89 -0.31 -0.97 0.00 0.00 0.00 179.97 179.65 2enk h ASN 92 N 0.44 0.00 -0.05 7.04 -0.73 -1.09 -2.92 115.58 118.27 2enk h ASN 92 Ca 0.03 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 58.01 2enk h ASN 92 Cb 0.96 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.55 2enk h ASN 92 CO 0.09 0.31 -0.65 -0.61 -0.37 0.00 0.00 177.43 176.19 2enk h GLN 93 N 0.00 0.67 -1.23 6.67 5.75 -1.23 -3.46 115.11 122.28 2enk h GLN 93 Ca -0.00 -0.48 0.17 0.00 -0.15 0.00 0.00 58.65 58.18 2enk h GLN 93 Cb 0.69 0.08 -0.31 0.00 1.07 0.00 0.00 27.48 29.01 2enk h GLN 93 CO 0.04 1.10 0.65 0.21 -2.65 0.00 0.00 178.83 178.19 2enk s LYS 94 N -3.88 0.17 0.57 1.69 2.20 -1.10 -5.01 119.74 114.37 2enk s LYS 94 Ca -0.09 0.27 0.27 0.00 -0.36 0.00 0.00 55.97 56.06 2enk s LYS 94 Cb 0.10 0.05 1.52 0.00 -1.51 0.00 0.00 37.83 37.98 2enk s LYS 94 CO 0.87 -0.03 2.01 0.97 -0.36 0.00 0.00 175.35 178.81 2enk h ILE 95 N 4.61 0.53 -5.78 5.43 2.10 -1.86 -3.41 117.51 119.13 2enk h ILE 95 Ca -0.27 0.00 -0.38 0.00 1.08 0.00 0.00 64.86 65.29 2enk h ILE 95 Cb 1.17 0.75 0.15 0.00 -1.09 0.00 0.00 36.82 37.80 2enk h ILE 95 CO 0.21 0.00 -0.71 -0.11 -1.08 0.00 0.00 178.15 176.46 2enk n LEU 96 N -3.97 -3.62 -3.72 2.19 0.00 -1.26 -5.00 117.00 101.62 2enk n LEU 96 Ca 0.06 -0.57 -0.12 0.00 0.00 0.00 0.00 56.01 55.39 2enk n LEU 96 Cb 0.50 -3.07 -0.11 0.00 0.00 0.00 0.00 43.42 40.75 2enk n LEU 96 CO 0.30 0.57 0.03 -0.60 0.00 0.00 0.00 177.39 177.69 2enk s ARG 97 N -6.00 0.38 -0.16 1.96 3.52 -1.26 -5.14 118.95 112.25 2enk s ARG 97 Ca 0.40 0.65 -0.04 0.00 -0.13 0.00 0.00 55.73 56.61 2enk s ARG 97 Cb -0.17 0.05 0.08 0.00 -1.56 0.00 0.00 34.95 33.35 2enk s ARG 97 CO 0.73 -0.12 0.23 -1.21 -0.81 0.00 0.00 175.30 174.12 2enk s GLU 98 N 0.92 0.16 0.41 5.12 2.02 -1.26 -5.12 118.70 120.95 2enk s GLU 98 Ca -0.06 0.45 0.00 0.00 0.02 0.00 0.00 54.97 55.38 2enk s GLU 98 Cb -0.06 -0.65 0.00 0.00 0.10 0.00 0.00 34.13 33.51 2enk s GLU 98 CO -0.07 -0.48 0.00 0.66 0.02 0.00 0.00 175.26 175.39 2enk n TYR 99 N 5.33 -3.67 -3.53 1.61 4.01 -1.26 -4.94 117.16 114.72 2enk n TYR 99 Ca -0.05 1.87 -0.09 0.00 -0.16 0.00 0.00 57.90 59.46 2enk n TYR 99 Cb 0.50 -3.33 -0.09 0.00 -0.31 0.00 0.00 39.34 36.10 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 -2.71 0.31 0.00 -0.72 3.03 -1.26 -5.26 118.95 112.34 2enk s ARG 100 Ca 0.00 0.79 0.00 0.00 2.03 0.00 0.00 55.73 58.55 2enk s ARG 100 Cb 0.00 -0.06 0.00 0.00 -1.03 0.00 0.00 34.95 33.86 2enk s ARG 100 CO 0.00 -0.42 0.00 -0.25 -1.13 0.00 0.00 175.30 173.50