#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 -0.24 -1.23 1.61 0.15 -1.26 -5.01 113.70 107.72 2enk s SER 2 Ca 0.00 -0.10 -0.07 0.00 0.70 0.00 0.00 55.95 56.47 2enk s SER 2 Cb 0.00 0.33 -0.01 0.00 -1.71 0.00 0.00 66.02 64.63 2enk s SER 2 CO 0.00 -0.57 0.72 -1.20 1.20 0.00 0.00 173.24 173.39 2enk n SER 3 N -0.29 -3.02 -3.66 5.45 7.64 -1.26 -4.98 113.62 113.51 2enk n SER 3 Ca -0.06 -0.89 -0.30 0.00 1.01 0.00 0.00 58.87 58.63 2enk n SER 3 Cb 0.61 -3.86 -0.14 0.00 -1.01 0.00 0.00 64.21 59.80 2enk n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2enk s GLY 4 N -3.97 1.05 0.10 0.23 0.00 -1.26 -4.96 107.32 98.51 2enk s GLY 4 Ca 0.21 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.17 2enk s GLY 4 CO 0.83 1.74 1.21 1.76 0.00 0.00 0.00 173.10 178.63 2enk h SER 5 N 7.77 0.25 -3.34 1.64 0.02 -2.06 -3.44 113.55 114.39 2enk h SER 5 Ca -0.10 -0.27 -0.65 0.00 -0.84 0.00 0.00 61.79 59.94 2enk h SER 5 Cb 0.99 -0.08 -0.25 0.00 0.14 0.00 0.00 62.40 63.20 2enk h SER 5 CO 0.44 1.20 -0.71 -0.55 -1.14 0.00 0.00 176.83 176.07 2enk s SER 6 N -6.97 4.44 -0.40 3.07 0.15 -1.26 -5.06 113.70 107.67 2enk s SER 6 Ca -0.02 -0.26 0.03 0.00 0.70 0.00 0.00 55.95 56.40 2enk s SER 6 Cb 0.08 -1.72 0.17 0.00 -1.71 0.00 0.00 66.02 62.84 2enk s SER 6 CO 0.86 0.11 0.34 -0.83 1.20 0.00 0.00 173.24 174.92 2enk s GLY 7 N 0.69 0.97 -0.26 9.45 0.00 -1.26 -4.95 107.32 111.96 2enk s GLY 7 Ca -0.03 -2.20 -0.03 0.00 0.00 0.00 0.00 44.72 42.45 2enk s GLY 7 CO 0.02 2.22 -0.22 0.28 0.00 0.00 0.00 173.10 175.40 2enk n LYS 8 N 3.09 0.64 -2.76 2.90 4.01 -1.26 -5.08 118.16 119.70 2enk n LYS 8 Ca 0.26 0.20 -0.01 0.00 -0.51 0.00 0.00 58.31 58.24 2enk n LYS 8 Cb 0.46 -1.53 -0.01 0.00 -0.51 0.00 0.00 35.03 33.44 2enk n LYS 8 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2enk n TYR 9 N -3.57 -3.52 0.05 2.13 4.01 -1.26 -5.03 117.16 109.97 2enk n TYR 9 Ca -0.47 1.70 0.00 0.00 -0.16 0.00 0.00 57.90 58.97 2enk n TYR 9 Cb 0.96 -3.54 0.00 0.00 -0.31 0.00 0.00 39.34 36.45 2enk n TYR 9 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 2enk n THR 10 N 1.08 0.34 -2.78 -0.72 -1.04 -1.26 -5.12 114.28 104.79 2enk n THR 10 Ca -0.10 0.11 -0.01 0.00 -2.04 0.00 0.00 64.05 62.02 2enk n THR 10 Cb 0.21 -0.82 -0.01 0.00 -1.82 0.00 0.00 70.33 67.89 2enk n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2enk n GLN 11 N -3.00 -3.19 0.00 -2.82 1.13 -1.26 -5.02 117.38 103.21 2enk n GLN 11 Ca 0.00 2.60 0.00 0.00 -1.94 0.00 0.00 57.00 57.66 2enk n GLN 11 Cb 0.00 -4.69 0.00 0.00 0.11 0.00 0.00 30.24 25.66 2enk n GLN 11 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2enk n ASN 12 N 0.95 0.00 -0.01 1.08 5.15 -1.26 -5.03 115.26 116.14 2enk n ASN 12 Ca -0.05 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.90 2enk n ASN 12 Cb 0.15 0.08 -0.01 0.00 -0.53 0.00 0.00 39.78 39.47 2enk n ASN 12 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2enk n ASN 13 N -2.48 3.49 -4.98 1.20 4.13 -1.26 -5.07 115.26 110.28 2enk n ASN 13 Ca 0.00 -0.01 -0.18 0.00 1.68 0.00 0.00 54.58 56.07 2enk n ASN 13 Cb 0.00 -0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.19 2enk n ASN 13 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2enk s PHE 14 N -2.06 2.81 -0.02 3.10 0.08 -1.26 -3.96 117.98 116.68 2enk s PHE 14 Ca -0.04 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.61 2enk s PHE 14 Cb 0.01 -2.31 0.01 0.00 -0.57 0.00 0.00 43.02 40.16 2enk s PHE 14 CO 0.07 -0.33 -0.02 -1.50 -0.10 0.00 0.00 175.22 173.33 2enk s ILE 15 N -2.36 0.27 0.51 0.64 2.07 0.04 -4.63 121.20 117.73 2enk s ILE 15 Ca 0.53 -0.06 -0.23 0.00 -1.41 0.00 0.00 60.65 59.48 2enk s ILE 15 Cb -0.09 -0.28 -0.07 0.00 0.13 0.00 0.00 42.46 42.16 2enk s ILE 15 CO 0.32 0.12 1.30 0.41 -1.91 0.00 0.00 174.94 175.18 2enk n THR 16 N 3.50 3.37 0.04 4.00 -1.04 -1.26 -1.99 114.28 120.89 2enk n THR 16 Ca -0.19 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.28 2enk n THR 16 Cb 0.55 -1.61 -0.02 0.00 -1.82 0.00 0.00 70.33 67.43 2enk n THR 16 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2enk h GLY 17 N 1.61 -1.08 0.19 3.41 0.00 -1.94 -2.23 103.07 103.02 2enk h GLY 17 Ca -0.50 0.49 0.18 0.00 0.00 0.00 0.00 47.33 47.50 2enk h GLY 17 CO 0.58 -0.38 0.61 -2.08 0.00 0.00 0.00 176.54 175.26 2enk h VAL 18 N -0.19 0.74 -0.83 4.60 2.07 -1.95 0.19 116.25 120.89 2enk h VAL 18 Ca -0.01 -0.27 0.20 0.00 0.82 0.00 0.00 66.70 67.44 2enk h VAL 18 Cb 0.18 -0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 29.77 2enk h VAL 18 CO -0.05 0.15 0.56 0.03 0.02 0.00 0.00 177.57 178.28 2enk h ARG 19 N 0.80 0.27 0.12 1.57 2.47 -1.83 -0.58 114.38 117.20 2enk h ARG 19 Ca 0.56 -0.02 -0.35 0.00 -1.26 0.00 0.00 59.98 58.91 2enk h ARG 19 Cb 0.82 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.06 2enk h ARG 19 CO -0.36 0.18 -1.90 0.00 0.56 0.00 0.00 179.97 178.45 2enk h ALA 20 N 1.62 0.42 -0.05 0.04 0.00 -0.12 -2.92 119.26 118.25 2enk h ALA 20 Ca 0.41 -1.35 0.01 0.00 0.00 0.00 0.00 54.91 53.99 2enk h ALA 20 Cb 1.19 0.62 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 2enk h ALA 20 CO -0.11 1.29 0.06 0.82 0.00 0.00 0.00 179.25 181.31 2enk h ILE 21 N 0.07 0.50 0.00 0.00 2.04 -0.04 0.18 117.51 120.27 2enk h ILE 21 Ca -0.39 0.00 -0.25 0.00 1.00 0.00 0.00 64.86 65.22 2enk h ILE 21 Cb 2.04 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 39.04 2enk h ILE 21 CO 0.11 0.00 -1.45 0.59 0.00 0.00 0.00 178.15 177.40 2enk n ASN 22 N -3.82 1.88 0.50 1.72 3.02 -0.33 -2.12 115.26 116.10 2enk n ASN 22 Ca -0.02 0.42 -0.20 0.00 -0.03 0.00 0.00 54.58 54.76 2enk n ASN 22 Cb 0.15 -0.92 -0.10 0.00 -0.61 0.00 0.00 39.78 38.31 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 -1.00 -1.22 0.00 3.52 5.08 -1.33 -2.82 114.58 116.81 2enk h GLU 23 Ca -0.38 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2enk h GLU 23 Cb 1.28 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.81 2enk h GLU 23 CO -0.23 -0.81 0.00 0.74 -1.00 0.00 0.00 179.01 177.71 2enk h PHE 24 N -1.30 0.00 -5.56 4.33 -1.00 -0.88 -3.48 116.94 109.05 2enk h PHE 24 Ca -0.13 0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.40 2enk h PHE 24 Cb 0.97 0.00 0.16 0.00 3.61 0.00 0.00 35.95 40.69 2enk h PHE 24 CO -0.00 0.00 -0.78 0.00 -1.61 0.00 0.00 178.31 175.91 2enk n LEU 26 N -3.20 0.00 -4.88 0.00 4.77 -0.90 -5.00 117.00 107.78 2enk n LEU 26 Ca -0.07 -0.40 -0.33 0.00 -0.03 0.00 0.00 56.01 55.18 2enk n LEU 26 Cb 0.60 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.64 2enk n LEU 26 CO 0.60 -0.27 0.09 -0.54 -1.33 0.00 0.00 177.39 175.93 2enk s LYS 27 N -2.31 3.71 0.51 3.23 1.02 -1.26 -4.87 119.74 119.78 2enk s LYS 27 Ca 0.04 0.09 0.21 0.00 0.02 0.00 0.00 55.97 56.32 2enk s LYS 27 Cb -0.00 -2.86 1.33 0.00 -0.52 0.00 0.00 37.83 35.78 2enk s LYS 27 CO 0.02 0.47 2.10 1.03 -0.92 0.00 0.00 175.35 178.05 2enk h SER 28 N 3.09 0.00 0.90 2.83 0.87 -2.00 -1.82 113.55 117.42 2enk h SER 28 Ca -0.47 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 59.89 2enk h SER 28 Cb 1.18 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.10 2enk h SER 28 CO 0.70 0.09 -1.18 -1.28 -0.53 0.00 0.00 176.83 174.62 2enk h SER 29 N 0.00 0.00 -0.10 6.23 0.87 -2.01 -3.35 113.55 115.20 2enk h SER 29 Ca -0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2enk h SER 29 Cb 0.18 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2enk h SER 29 CO 0.01 0.80 0.06 0.44 -0.53 0.00 0.00 176.83 177.61 2enk h ASP 30 N 0.00 0.12 -0.72 6.23 3.32 -1.73 -2.77 116.42 120.87 2enk h ASP 30 Ca -0.12 -0.05 0.11 0.00 0.02 0.00 0.00 57.03 56.99 2enk h ASP 30 Cb 1.71 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 41.16 2enk h ASP 30 CO 0.08 0.13 0.34 -0.07 -1.72 0.00 0.00 179.24 178.01 2enk h LEU 31 N 0.10 0.42 -2.21 1.55 -0.00 -1.65 0.14 115.31 113.65 2enk h LEU 31 Ca 0.04 0.07 0.04 0.00 -0.00 0.00 0.00 57.88 58.03 2enk h LEU 31 Cb 0.04 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.70 2enk h LEU 31 CO -0.01 0.22 0.13 -0.33 -0.00 0.00 0.00 178.44 178.46 2enk h GLU 32 N 0.56 0.00 0.00 1.13 5.08 -1.62 0.19 114.58 119.92 2enk h GLU 32 Ca 0.37 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.69 2enk h GLU 32 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2enk h GLU 32 CO -0.30 0.00 -0.18 0.37 -1.00 0.00 0.00 179.01 177.89 2enk h GLN 33 N 0.00 0.00 0.00 2.33 5.75 -0.54 -3.44 115.11 119.21 2enk h GLN 33 Ca 0.07 0.00 -0.21 0.00 -0.15 0.00 0.00 58.65 58.36 2enk h GLN 33 Cb 0.34 0.00 0.10 0.00 1.07 0.00 0.00 27.48 28.99 2enk h GLN 33 CO -0.00 0.18 0.08 1.28 -2.65 0.00 0.00 178.83 177.73 2enk n LEU 34 N -4.01 0.00 -4.57 -2.39 4.77 0.05 -4.94 117.00 105.91 2enk n LEU 34 Ca -0.02 -0.64 -0.43 0.00 -0.03 0.00 0.00 56.01 54.90 2enk n LEU 34 Cb 0.26 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 2enk n LEU 34 CO 0.34 -1.54 0.98 -0.60 -1.33 0.00 0.00 177.39 175.24 2enk s ARG 35 N -4.35 3.53 -0.71 3.23 3.52 -1.26 -4.95 118.95 117.96 2enk s ARG 35 Ca 0.38 0.22 -0.26 0.00 -0.13 0.00 0.00 55.73 55.94 2enk s ARG 35 Cb -0.03 -3.99 -0.09 0.00 -1.56 0.00 0.00 34.95 29.28 2enk s ARG 35 CO 0.29 -1.54 2.24 0.15 -0.81 0.00 0.00 175.30 175.63 2enk s LYS 36 N 4.54 2.06 -0.48 5.12 1.02 -1.26 -4.79 119.74 125.95 2enk s LYS 36 Ca 0.41 0.59 -0.27 0.00 0.02 0.00 0.00 55.97 56.72 2enk s LYS 36 Cb -0.09 -4.73 -0.03 0.00 -0.52 0.00 0.00 37.83 32.46 2enk s LYS 36 CO 0.26 -3.69 1.93 0.42 -0.92 0.00 0.00 175.35 173.35 2enk s ILE 37 N 12.40 3.33 -0.96 2.17 -1.09 -0.99 -4.91 121.20 131.15 2enk s ILE 37 Ca 0.86 0.27 -0.24 0.00 -2.23 0.00 0.00 60.65 59.31 2enk s ILE 37 Cb -0.13 -3.66 0.02 0.00 -1.58 0.00 0.00 42.46 37.11 2enk s ILE 37 CO 0.13 -0.57 1.59 -0.13 -1.23 0.00 0.00 174.94 174.73 2enk s ARG 38 N 6.72 3.24 0.03 2.79 0.52 -1.26 -3.18 118.95 127.81 2enk s ARG 38 Ca 0.77 -0.78 -0.27 0.00 -0.52 0.00 0.00 55.73 54.94 2enk s ARG 38 Cb -0.17 -5.18 -0.17 0.00 0.52 0.00 0.00 34.95 29.95 2enk s ARG 38 CO 0.27 -2.56 1.36 -0.09 0.02 0.00 0.00 175.30 174.29 2enk h ARG 39 N 10.38 -0.48 -2.93 3.54 2.43 -1.91 -3.49 114.38 121.92 2enk h ARG 39 Ca 0.13 0.03 0.35 0.00 -0.81 0.00 0.00 59.98 59.68 2enk h ARG 39 Cb 1.02 0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 30.57 2enk h ARG 39 CO 1.35 -0.20 -0.58 0.54 -1.51 0.00 0.00 179.97 179.57 2enk n ARG 40 N -5.21 -2.67 -3.54 0.20 1.74 -1.26 -5.04 116.66 100.87 2enk n ARG 40 Ca -0.10 1.84 -0.07 0.00 -0.77 0.00 0.00 57.85 58.75 2enk n ARG 40 Cb 0.27 -3.24 -0.02 0.00 -1.02 0.00 0.00 32.46 28.45 2enk n ARG 40 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2enk s SER 41 N -6.74 -0.30 0.70 0.55 1.04 -1.26 -5.16 113.70 102.54 2enk s SER 41 Ca 0.00 -0.02 -0.13 0.00 0.48 0.00 0.00 55.95 56.28 2enk s SER 41 Cb 0.00 0.33 0.02 0.00 0.10 0.00 0.00 66.02 66.47 2enk s SER 41 CO 0.00 -0.54 1.10 -2.16 0.98 0.00 0.00 173.24 172.63 2enk s PRO 42 N -2.95 2.59 -1.51 4.02 0.04 -1.26 -3.54 135.00 132.39 2enk s PRO 42 Ca 0.06 1.31 -0.05 0.00 0.04 0.00 0.00 61.00 62.36 2enk s PRO 42 Cb -0.01 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.62 2enk s PRO 42 CO -0.07 -1.40 0.54 0.72 0.04 0.00 0.00 177.00 176.82 2enk n HIS 43 N -2.84 -1.88 -4.49 0.56 8.25 -1.26 -4.98 115.22 108.58 2enk n HIS 43 Ca 0.10 0.47 -0.23 0.00 -0.26 0.00 0.00 57.72 57.80 2enk n HIS 43 Cb 0.52 -4.14 -0.14 0.00 1.12 0.00 0.00 29.99 27.36 2enk n HIS 43 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2enk s GLU 44 N -5.71 1.19 -0.08 -0.41 2.56 -1.23 -5.04 118.70 109.98 2enk s GLU 44 Ca 0.30 -0.92 0.23 0.00 0.00 0.00 0.00 54.97 54.58 2enk s GLU 44 Cb -0.14 -1.30 0.42 0.00 2.00 0.00 0.00 34.13 35.11 2enk s GLU 44 CO 0.37 0.32 1.15 -3.47 -0.56 0.00 0.00 175.26 173.08 2enk n ASP 45 N 1.73 0.91 -3.70 -1.70 -0.08 -1.26 -5.00 116.55 107.45 2enk n ASP 45 Ca -0.18 -2.01 -0.10 0.00 -1.51 0.00 0.00 54.79 50.98 2enk n ASP 45 Cb 0.54 -0.27 -0.10 0.00 2.34 0.00 0.00 41.12 43.63 2enk n ASP 45 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2enk s THR 46 N -0.97 -0.02 0.03 5.18 -1.32 -1.26 -5.16 115.64 112.12 2enk s THR 46 Ca 0.29 0.08 -0.09 0.00 -1.21 0.00 0.00 61.69 60.75 2enk s THR 46 Cb 0.34 -0.63 -0.05 0.00 -1.51 0.00 0.00 72.50 70.65 2enk s THR 46 CO -0.12 0.03 0.34 -0.70 -2.21 0.00 0.00 174.62 171.96 2enk s GLU 47 N 1.29 3.69 0.04 7.08 2.56 -1.26 -4.85 118.70 127.25 2enk s GLU 47 Ca -0.09 0.09 0.00 0.00 0.00 0.00 0.00 54.97 54.97 2enk s GLU 47 Cb -0.08 -3.07 0.00 0.00 2.00 0.00 0.00 34.13 32.99 2enk s GLU 47 CO -0.12 0.62 0.00 0.45 -0.56 0.00 0.00 175.26 175.65 2enk n SER 48 N 1.15 -0.35 -4.77 -1.70 2.88 -1.26 -5.14 113.62 104.44 2enk n SER 48 Ca -0.11 0.27 -0.40 0.00 -1.33 0.00 0.00 58.87 57.31 2enk n SER 48 Cb 0.53 0.56 0.00 0.00 -0.75 0.00 0.00 64.21 64.55 2enk n SER 48 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2enk s PHE 49 N -2.00 2.67 -0.27 0.66 5.36 -1.26 -5.02 117.98 118.12 2enk s PHE 49 Ca 0.00 1.34 -0.13 0.00 -0.96 0.00 0.00 56.93 57.18 2enk s PHE 49 Cb 0.00 -3.79 0.10 0.00 -0.34 0.00 0.00 43.02 38.98 2enk s PHE 49 CO 0.00 -2.47 0.63 0.99 -1.46 0.00 0.00 175.22 172.91 2enk s THR 50 N -1.22 -0.38 0.38 0.12 2.01 -1.26 -4.69 115.64 110.60 2enk s THR 50 Ca 0.58 0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.68 2enk s THR 50 Cb -0.41 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 2enk s THR 50 CO 0.53 0.01 0.21 0.68 -0.69 0.00 0.00 174.62 175.36 2enk s VAL 51 N 2.11 2.71 0.37 3.82 -7.23 -1.19 -4.34 120.40 116.65 2enk s VAL 51 Ca -0.08 -1.61 0.04 0.00 -1.81 0.00 0.00 61.98 58.52 2enk s VAL 51 Cb -0.08 -3.00 -0.06 0.00 0.56 0.00 0.00 36.38 33.80 2enk s VAL 51 CO -0.18 -0.08 0.05 -0.31 -0.31 0.00 0.00 175.10 174.26 2enk s TYR 52 N -2.49 2.09 -0.16 2.82 2.02 -0.84 -2.36 117.35 118.42 2enk s TYR 52 Ca 0.41 -0.91 -0.10 0.00 -0.37 0.00 0.00 57.07 56.10 2enk s TYR 52 Cb -0.01 -1.44 -0.05 0.00 -0.40 0.00 0.00 41.96 40.07 2enk s TYR 52 CO 0.24 0.12 0.16 -1.17 -1.57 0.00 0.00 175.55 173.33 2enk s LEU 53 N -3.59 4.28 0.33 -1.29 0.20 -1.26 -0.78 118.68 116.56 2enk s LEU 53 Ca 0.32 0.36 0.04 0.00 0.69 0.00 0.00 54.13 55.54 2enk s LEU 53 Cb 0.08 -2.14 0.66 0.00 -0.43 0.00 0.00 46.19 44.36 2enk s LEU 53 CO 0.15 0.24 1.92 -0.09 -0.29 0.00 0.00 176.35 178.28 2enk h ARG 54 N 6.12 0.84 -0.54 1.98 2.43 -1.90 -0.76 114.38 122.56 2enk h ARG 54 Ca -0.45 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.65 2enk h ARG 54 Cb 1.18 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 2enk h ARG 54 CO 0.70 0.56 0.27 0.77 -1.51 0.00 0.00 179.97 180.76 2enk h SER 55 N 0.87 0.70 0.35 -3.80 0.02 -1.94 -0.16 113.55 109.58 2enk h SER 55 Ca 0.38 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 2enk h SER 55 Cb 0.32 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2enk h SER 55 CO -0.14 0.62 -0.17 0.44 -1.14 0.00 0.00 176.83 176.44 2enk h ASP 56 N 0.72 -0.40 -0.32 3.07 5.19 -1.74 -3.03 116.42 119.92 2enk h ASP 56 Ca 0.19 -0.15 0.09 0.00 -0.62 0.00 0.00 57.03 56.53 2enk h ASP 56 Cb 0.10 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 2enk h ASP 56 CO -0.03 -0.02 0.26 0.58 -3.12 0.00 0.00 179.24 176.92 2enk h VAL 57 N -0.83 0.67 -0.29 -1.35 2.07 -1.15 0.15 116.25 115.52 2enk h VAL 57 Ca -0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2enk h VAL 57 Cb 0.53 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2enk h VAL 57 CO 0.08 0.00 0.17 -0.08 0.02 0.00 0.00 177.57 177.76 2enk h GLU 58 N 0.00 0.38 0.00 1.57 4.81 -0.89 -2.33 114.58 118.13 2enk h GLU 58 Ca 0.15 -0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 59.07 2enk h GLU 58 Cb 0.67 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 2enk h GLU 58 CO -0.00 0.28 -1.59 0.00 -0.73 0.00 0.00 179.01 176.97 2enk h ALA 59 N 1.79 0.69 -0.28 2.92 0.00 -1.01 -3.34 119.26 120.04 2enk h ALA 59 Ca 0.10 -1.37 0.08 0.00 0.00 0.00 0.00 54.91 53.73 2enk h ALA 59 Cb -0.00 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2enk h ALA 59 CO -0.02 1.52 0.26 -0.22 0.00 0.00 0.00 179.25 180.79 2enk h LYS 60 N 0.00 0.00 0.00 0.00 1.63 -0.85 0.24 116.57 117.60 2enk h LYS 60 Ca -0.24 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.42 2enk h LYS 60 Cb 1.97 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.58 2enk h LYS 60 CO 0.09 0.00 -0.82 0.66 -3.45 0.00 0.00 179.45 175.93 2enk h SER 61 N 0.00 0.00 0.61 4.20 4.64 -1.64 -3.03 113.55 118.33 2enk h SER 61 Ca 0.13 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.17 2enk h SER 61 Cb 0.65 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 2enk h SER 61 CO -0.00 0.64 -1.42 -0.07 -0.87 0.00 0.00 176.83 175.11 2enk h LEU 62 N 0.00 0.20 -0.75 5.97 3.38 -0.81 -2.43 115.31 120.87 2enk h LEU 62 Ca -0.04 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 2enk h LEU 62 Cb 1.53 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 2enk h LEU 62 CO 0.08 1.24 -0.36 1.05 0.09 0.00 0.00 178.44 180.53 2enk h GLU 63 N 0.04 0.00 0.00 1.13 -0.00 -0.86 -0.99 114.58 113.90 2enk h GLU 63 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.17 2enk h GLU 63 Cb 1.95 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.70 2enk h GLU 63 CO 0.14 0.36 0.00 0.28 -0.00 0.00 0.00 179.01 179.79 2enk n VAL 64 N -3.42 0.00 0.10 -1.06 0.31 -1.14 -4.52 118.33 108.60 2enk n VAL 64 Ca 0.00 0.34 0.05 0.00 -0.01 0.00 0.00 64.34 64.73 2enk n VAL 64 Cb 0.54 -1.21 0.50 0.00 -0.91 0.00 0.00 33.84 32.76 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 0.31 0.00 3.52 4.06 -1.62 -3.46 115.95 118.76 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 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.06 2enk h TRP 65 CO 0.00 0.21 0.00 0.41 -3.56 0.00 0.00 178.44 175.50 2enk n GLY 66 N -1.46 1.46 3.45 1.49 0.00 -0.38 -4.97 105.19 104.79 2enk n GLY 66 Ca 0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.22 -0.53 0.52 1.61 0.01 -1.23 -4.77 113.70 109.09 2enk s SER 67 Ca 0.00 -0.03 0.31 0.00 1.31 0.00 0.00 55.95 57.54 2enk s SER 67 Cb 0.00 0.58 1.28 0.00 0.21 0.00 0.00 66.02 68.09 2enk s SER 67 CO 0.00 -0.94 1.96 1.55 0.41 0.00 0.00 173.24 176.22 2enk h PRO 68 N 2.00 0.00 -0.31 12.44 0.13 -1.92 -3.08 132.00 141.27 2enk h PRO 68 Ca -0.32 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.72 2enk h PRO 68 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2enk h PRO 68 CO 0.36 0.08 -0.16 0.93 -0.23 0.00 0.00 178.00 178.98 2enk h GLU 69 N 0.00 0.65 -0.52 0.86 4.39 -1.97 -1.64 114.58 116.35 2enk h GLU 69 Ca -0.00 -0.29 0.10 0.00 0.34 0.00 0.00 59.36 59.51 2enk h GLU 69 Cb 0.55 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.10 2enk h GLU 69 CO 0.01 0.88 0.02 0.00 -1.16 0.00 0.00 179.01 178.76 2enk h ALA 70 N 0.76 0.52 -0.25 3.43 0.00 -1.91 -1.24 119.26 120.56 2enk h ALA 70 Ca 0.07 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 2enk h ALA 70 Cb 0.69 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2enk h ALA 70 CO 0.05 -0.37 -0.26 1.25 0.00 0.00 0.00 179.25 179.92 2enk h LEU 71 N 0.14 0.66 -1.68 0.00 5.85 -1.66 -3.03 115.31 115.59 2enk h LEU 71 Ca 0.26 -0.48 0.21 0.00 0.84 0.00 0.00 57.88 58.72 2enk h LEU 71 Cb 0.40 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 2enk h LEU 71 CO -0.42 1.00 0.59 0.00 -0.34 0.00 0.00 178.44 179.28 2enk h ALA 72 N 0.68 2.40 -0.92 1.25 0.00 -0.55 0.78 119.26 122.89 2enk h ALA 72 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2enk h ALA 72 Cb 0.82 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 2enk h ALA 72 CO 0.06 -0.66 0.58 0.00 0.00 0.00 0.00 179.25 179.23 2enk h ARG 73 N 0.26 1.03 0.13 0.00 2.47 -1.12 -0.78 114.38 116.37 2enk h ARG 73 Ca 0.44 -0.06 -0.29 0.00 -1.26 0.00 0.00 59.98 58.81 2enk h ARG 73 Cb 1.29 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 2enk h ARG 73 CO -0.12 0.68 -1.35 0.93 0.56 0.00 0.00 179.97 180.68 2enk h GLU 74 N 1.06 0.28 -0.98 0.04 4.39 -1.02 -3.32 114.58 115.04 2enk h GLU 74 Ca 0.40 -0.49 0.03 0.00 0.34 0.00 0.00 59.36 59.64 2enk h GLU 74 Cb 0.16 0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 28.94 2enk h GLU 74 CO -0.17 1.20 0.64 0.87 -1.16 0.00 0.00 179.01 180.39 2enk h LYS 75 N 0.08 1.23 -0.78 2.33 1.57 -0.72 -2.19 116.57 118.08 2enk h LYS 75 Ca -0.18 -0.07 0.10 0.00 -1.87 0.00 0.00 60.65 58.63 2enk h LYS 75 Cb 2.00 -0.28 -0.07 0.00 0.08 0.00 0.00 32.23 33.96 2enk h LYS 75 CO 0.20 0.81 0.42 -0.22 -0.57 0.00 0.00 179.45 180.09 2enk h LYS 76 N 1.26 0.68 0.34 3.15 3.64 -1.25 0.14 116.57 124.54 2enk h LYS 76 Ca 0.38 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 2enk h LYS 76 Cb -0.04 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 2enk h LYS 76 CO -0.11 0.45 -0.19 -0.07 -2.27 0.00 0.00 179.45 177.26 2enk h LEU 77 N 0.70 -0.48 -1.96 5.20 -0.00 -1.53 -0.14 115.31 117.10 2enk h LEU 77 Ca 0.39 0.02 0.18 0.00 -0.00 0.00 0.00 57.88 58.47 2enk h LEU 77 Cb 0.39 0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 41.16 2enk h LEU 77 CO -0.27 -0.31 0.45 0.08 -0.00 0.00 0.00 178.44 178.40 2enk h ARG 78 N -0.50 0.04 0.43 1.13 0.11 -1.40 -1.49 114.38 112.69 2enk h ARG 78 Ca -0.05 -0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.01 2enk h ARG 78 Cb 0.39 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.47 2enk h ARG 78 CO 0.06 0.02 -0.21 -0.22 0.10 0.00 0.00 179.97 179.72 2enk h LYS 79 N 0.04 -0.55 -0.00 0.08 3.64 -0.37 -2.76 116.57 116.64 2enk h LYS 79 Ca 0.30 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2enk h LYS 79 Cb 1.16 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2enk h LYS 79 CO -0.01 -0.25 0.00 0.93 -2.27 0.00 0.00 179.45 177.85 2enk h GLU 80 N -0.86 0.00 0.01 1.90 4.39 -0.25 -2.39 114.58 117.38 2enk h GLU 80 Ca -0.06 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2enk h GLU 80 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2enk h GLU 80 CO 0.10 0.00 -0.00 0.00 -1.16 0.00 0.00 179.01 177.94 2enk h ALA 81 N 2.00 -0.01 -0.81 3.43 0.00 -1.13 -1.92 119.26 120.82 2enk h ALA 81 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2enk h ALA 81 Cb 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2enk h ALA 81 CO -0.00 -0.40 0.50 0.93 0.00 0.00 0.00 179.25 180.28 2enk h GLU 82 N -0.22 1.09 -0.29 0.00 5.08 -1.15 -2.13 114.58 116.96 2enk h GLU 82 Ca -0.00 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2enk h GLU 82 Cb 0.22 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2enk h GLU 82 CO 0.00 0.76 0.17 0.82 -1.00 0.00 0.00 179.01 179.76 2enk h ILE 83 N 1.10 1.04 0.00 3.13 2.04 -1.40 0.17 117.51 123.59 2enk h ILE 83 Ca 0.29 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 66.01 2enk h ILE 83 Cb -0.06 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2enk h ILE 83 CO -0.06 0.06 -0.10 -0.33 0.00 0.00 0.00 178.15 177.73 2enk h GLU 84 N 0.35 0.00 0.00 2.37 4.39 -1.05 0.08 114.58 120.72 2enk h GLU 84 Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2enk h GLU 84 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2enk h GLU 84 CO -0.05 0.10 -0.02 -0.92 -1.16 0.00 0.00 179.01 176.96 2enk h TYR 85 N 0.00 0.00 -0.01 4.33 3.20 -0.64 -3.29 116.97 120.56 2enk h TYR 85 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2enk h TYR 85 Cb 0.22 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.49 2enk h TYR 85 CO 0.00 0.00 0.05 0.07 -1.64 0.00 0.00 178.16 176.64 2enk h ARG 86 N -0.98 0.00 0.68 1.82 0.11 -0.67 -2.37 114.38 112.97 2enk h ARG 86 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 2enk h ARG 86 Cb 0.02 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.10 2enk h ARG 86 CO 0.00 0.00 -0.33 0.93 0.10 0.00 0.00 179.97 180.67 2enk h GLU 87 N 0.00 -0.88 0.00 0.08 4.39 -1.08 -2.96 114.58 114.13 2enk h GLU 87 Ca 0.01 0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 2enk h GLU 87 Cb 0.11 0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2enk h GLU 87 CO -0.00 -0.56 -0.11 0.07 -1.16 0.00 0.00 179.01 177.26 2enk h ARG 88 N -1.11 0.00 -0.99 2.33 0.11 -1.54 -2.83 114.38 110.36 2enk h ARG 88 Ca -0.09 0.00 0.11 0.00 0.10 0.00 0.00 59.98 60.10 2enk h ARG 88 Cb 0.74 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.73 2enk h ARG 88 CO 0.15 0.11 0.62 -0.07 0.10 0.00 0.00 179.97 180.88 2enk h LEU 89 N 0.00 0.92 -0.93 0.08 -0.00 -1.27 -1.07 115.31 113.05 2enk h LEU 89 Ca -0.00 0.04 0.14 0.00 -0.00 0.00 0.00 57.88 58.06 2enk h LEU 89 Cb 0.41 -0.14 -0.09 0.00 -0.00 0.00 0.00 40.66 40.84 2enk h LEU 89 CO 0.01 0.50 0.54 -0.26 -0.00 0.00 0.00 178.44 179.24 2enk h PHE 90 N 1.00 0.96 0.38 1.13 -1.00 -1.49 -0.73 116.94 117.19 2enk h PHE 90 Ca 0.48 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 61.29 2enk h PHE 90 Cb 0.44 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 2enk h PHE 90 CO -0.01 0.29 -0.37 -0.09 -1.61 0.00 0.00 178.31 176.53 2enk h ARG 91 N 0.79 -0.74 -0.19 1.51 2.43 -1.37 -2.05 114.38 114.76 2enk h ARG 91 Ca 0.49 0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.73 2enk h ARG 91 Cb 0.62 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 2enk h ARG 91 CO -0.32 -0.49 0.13 -0.97 -1.51 0.00 0.00 179.97 176.80 2enk h ASN 92 N -0.77 0.17 -4.16 -3.80 -1.24 -1.40 -3.43 115.58 100.95 2enk h ASN 92 Ca -0.03 -0.00 -0.49 0.00 0.71 0.00 0.00 56.30 56.49 2enk h ASN 92 Cb 0.68 -0.04 0.06 0.00 0.73 0.00 0.00 38.32 39.75 2enk h ASN 92 CO -0.06 0.12 0.38 -1.10 -1.29 0.00 0.00 177.43 175.49 2enk s GLN 93 N -5.22 3.38 0.48 6.67 -0.21 -0.34 -4.85 119.66 119.57 2enk s GLN 93 Ca -0.06 1.29 0.00 0.00 0.02 0.00 0.00 55.36 56.61 2enk s GLN 93 Cb 0.17 -2.04 0.00 0.00 1.00 0.00 0.00 33.01 32.15 2enk s GLN 93 CO 0.70 -0.77 0.00 1.17 -2.12 0.00 0.00 175.29 174.26 2enk n LYS 94 N -1.78 -2.80 -0.05 2.91 4.81 -1.26 -4.81 118.16 115.17 2enk n LYS 94 Ca 0.09 2.19 -0.02 0.00 -0.87 0.00 0.00 58.31 59.70 2enk n LYS 94 Cb 0.53 -3.32 -0.12 0.00 0.02 0.00 0.00 35.03 32.14 2enk n LYS 94 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 2enk n ILE 95 N -4.06 0.68 -2.50 3.15 3.06 -1.26 -5.05 119.36 113.38 2enk n ILE 95 Ca -0.05 -0.54 -0.05 0.00 -2.50 0.00 0.00 62.75 59.60 2enk n ILE 95 Cb 0.59 -0.36 -0.04 0.00 0.54 0.00 0.00 39.64 40.37 2enk n ILE 95 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2enk n LEU 96 N -2.39 -5.80 -0.00 9.51 4.77 -1.26 -4.88 117.00 116.95 2enk n LEU 96 Ca -0.17 2.13 -0.01 0.00 -0.03 0.00 0.00 56.01 57.93 2enk n LEU 96 Cb 0.80 -3.10 0.27 0.00 -2.33 0.00 0.00 43.42 39.05 2enk n LEU 96 CO 0.32 -3.73 0.89 0.08 -1.33 0.00 0.00 177.39 173.62 2enk h ARG 97 N 3.74 0.53 -4.77 3.23 0.11 -2.03 -3.48 114.38 111.71 2enk h ARG 97 Ca -0.53 -0.13 0.01 0.00 0.10 0.00 0.00 59.98 59.43 2enk h ARG 97 Cb 1.19 -0.07 -0.11 0.00 1.11 0.00 0.00 29.97 32.09 2enk h ARG 97 CO 0.01 0.60 -1.40 0.39 0.10 0.00 0.00 179.97 179.67 2enk n GLU 98 N -4.24 -4.05 -0.79 0.08 1.02 -1.26 -4.87 120.64 106.53 2enk n GLU 98 Ca 0.01 3.11 0.11 0.00 -0.02 0.00 0.00 57.16 60.37 2enk n GLU 98 Cb 0.28 -4.65 -0.03 0.00 -0.02 0.00 0.00 31.44 27.03 2enk n GLU 98 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2enk n TYR 99 N 1.45 -2.84 -2.64 -0.32 4.01 -1.26 -4.89 117.16 110.68 2enk n TYR 99 Ca -0.36 0.98 -0.24 0.00 -0.16 0.00 0.00 57.90 58.13 2enk n TYR 99 Cb 0.55 -1.74 0.12 0.00 -0.31 0.00 0.00 39.34 37.97 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 -1.32 1.53 0.00 -0.72 1.04 -1.26 -5.22 118.95 113.00 2enk s ARG 100 Ca 0.00 -1.28 0.00 0.00 -1.04 0.00 0.00 55.73 53.41 2enk s ARG 100 Cb 0.00 -2.33 0.00 0.00 -2.04 0.00 0.00 34.95 30.58 2enk s ARG 100 CO 0.00 -1.56 0.39 -0.25 -0.04 0.00 0.00 175.30 173.84