#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gnk s LYS 2 N 0.00 0.74 -0.31 0.03 -0.14 0.13 -1.25 119.74 118.94 1gnk s LYS 2 Ca 0.00 -0.94 -0.04 0.00 -1.36 0.00 0.00 55.97 53.63 1gnk s LYS 2 Cb 0.00 -0.61 0.04 0.00 -1.68 0.00 0.00 37.83 35.58 1gnk s LYS 2 CO 0.00 0.12 0.04 -1.17 -0.76 0.00 0.00 175.35 173.58 1gnk s LEU 3 N -1.85 3.95 -0.26 3.17 1.98 0.24 -0.80 118.68 125.11 1gnk s LEU 3 Ca -0.03 -1.12 -0.10 0.00 -2.89 0.00 0.00 54.13 49.99 1gnk s LEU 3 Cb -0.08 -1.78 -0.05 0.00 0.66 0.00 0.00 46.19 44.94 1gnk s LEU 3 CO 0.01 -0.26 0.16 -0.69 -1.89 0.00 0.00 176.35 173.69 1gnk s VAL 4 N 1.34 5.22 -0.15 1.68 1.01 0.63 -2.32 120.40 127.82 1gnk s VAL 4 Ca -0.03 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 1gnk s VAL 4 Cb -0.19 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 1gnk s VAL 4 CO 0.00 0.30 -0.04 -0.89 0.00 0.00 0.00 175.10 174.47 1gnk s THR 5 N 1.43 3.84 -0.16 3.92 2.01 -0.60 -0.24 115.64 125.85 1gnk s THR 5 Ca 0.07 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.69 1gnk s THR 5 Cb -0.15 -2.67 0.02 0.00 0.01 0.00 0.00 72.50 69.71 1gnk s THR 5 CO 0.07 0.51 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.67 1gnk s VAL 6 N 0.25 1.68 -0.25 3.82 1.01 0.72 -0.70 120.40 126.94 1gnk s VAL 6 Ca -0.03 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.16 1gnk s VAL 6 Cb -0.14 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1gnk s VAL 6 CO 0.03 0.48 0.11 -0.63 0.00 0.00 0.00 175.10 175.09 1gnk s ILE 7 N 1.45 4.79 0.24 2.22 -1.09 -0.55 -0.44 121.20 127.82 1gnk s ILE 7 Ca 0.05 -0.01 0.05 0.00 -2.23 0.00 0.00 60.65 58.51 1gnk s ILE 7 Cb -0.13 -3.24 -0.02 0.00 -1.58 0.00 0.00 42.46 37.49 1gnk s ILE 7 CO -0.11 0.33 0.19 2.30 -1.23 0.00 0.00 174.94 176.42 1gnk n ILE 8 N 4.70 0.00 -2.55 2.92 -5.35 0.71 -2.16 119.36 117.62 1gnk n ILE 8 Ca -0.15 -1.73 -0.42 0.00 -0.27 0.00 0.00 62.75 60.18 1gnk n ILE 8 Cb 0.52 0.83 -0.03 0.00 -1.74 0.00 0.00 39.64 39.21 1gnk n ILE 8 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1gnk s LYS 9 N -2.99 4.53 0.38 6.28 1.02 -1.26 -1.73 119.74 125.98 1gnk s LYS 9 Ca 0.26 1.63 0.16 0.00 0.02 0.00 0.00 55.97 58.05 1gnk s LYS 9 Cb 0.01 -3.37 1.03 0.00 -0.52 0.00 0.00 37.83 34.99 1gnk s LYS 9 CO 0.19 -0.08 1.79 -1.35 -0.92 0.00 0.00 175.35 174.97 1gnk h PRO 10 N 6.32 0.45 0.00 -1.68 0.11 -1.87 -0.03 132.00 135.29 1gnk h PRO 10 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1gnk h PRO 10 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1gnk h PRO 10 CO 0.77 0.30 0.00 1.97 -0.21 0.00 0.00 178.00 180.82 1gnk n PHE 11 N -4.64 0.00 1.21 0.65 -1.74 -1.26 -2.73 117.46 108.95 1gnk n PHE 11 Ca 0.24 0.00 0.13 0.00 -0.56 0.00 0.00 57.45 57.26 1gnk n PHE 11 Cb 0.79 -0.49 0.32 0.00 1.52 0.00 0.00 39.48 41.63 1gnk n PHE 11 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1gnk n LYS 12 N -1.49 1.99 0.03 3.97 4.76 -0.03 -4.46 118.16 122.94 1gnk n LYS 12 Ca 0.05 -1.45 -0.10 0.00 -2.87 0.00 0.00 58.31 53.94 1gnk n LYS 12 Cb 0.21 -1.47 -0.04 0.00 -1.84 0.00 0.00 35.03 31.89 1gnk n LYS 12 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1gnk h LEU 13 N 3.44 -0.44 -0.90 -0.35 6.46 -1.61 -0.61 115.31 121.31 1gnk h LEU 13 Ca 0.00 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1gnk h LEU 13 Cb 0.73 0.20 -0.04 0.00 -0.73 0.00 0.00 40.66 40.82 1gnk h LEU 13 CO 0.00 -0.20 0.51 -0.08 -0.62 0.00 0.00 178.44 178.05 1gnk h GLU 14 N -0.21 1.24 -0.66 1.25 4.57 -1.84 0.11 114.58 119.04 1gnk h GLU 14 Ca 0.07 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 1gnk h GLU 14 Cb 0.31 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 1gnk h GLU 14 CO -0.19 0.89 0.30 -0.44 -1.18 0.00 0.00 179.01 178.39 1gnk h ASP 15 N 1.25 0.88 -0.17 1.04 3.45 -1.74 0.07 116.42 121.20 1gnk h ASP 15 Ca 0.32 -0.15 -0.02 0.00 0.43 0.00 0.00 57.03 57.61 1gnk h ASP 15 Cb -0.00 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.53 1gnk h ASP 15 CO -0.05 0.78 0.02 0.58 -1.57 0.00 0.00 179.24 179.00 1gnk h VAL 16 N 0.92 1.23 -0.07 -1.35 2.07 -0.51 -1.17 116.25 117.36 1gnk h VAL 16 Ca 0.22 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 67.03 1gnk h VAL 16 Cb 0.15 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1gnk h VAL 16 CO -0.02 0.22 -0.08 -0.09 0.02 0.00 0.00 177.57 177.61 1gnk h ARG 17 N 0.07 -0.11 -0.84 1.57 2.43 -0.57 0.42 114.38 117.35 1gnk h ARG 17 Ca 0.05 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1gnk h ARG 17 Cb 0.32 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 1gnk h ARG 17 CO 0.00 -0.07 0.46 0.93 -1.51 0.00 0.00 179.97 179.78 1gnk h GLU 18 N -0.11 1.16 -0.21 0.20 5.08 -0.95 0.13 114.58 119.88 1gnk h GLU 18 Ca 0.06 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1gnk h GLU 18 Cb 0.19 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1gnk h GLU 18 CO -0.14 0.85 0.09 0.00 -1.00 0.00 0.00 179.01 178.82 1gnk h ALA 19 N 1.33 0.27 -0.67 3.43 0.00 -0.64 0.13 119.26 123.10 1gnk h ALA 19 Ca 0.30 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1gnk h ALA 19 Cb 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1gnk h ALA 19 CO -0.05 -0.16 0.20 -0.07 0.00 0.00 0.00 179.25 179.18 1gnk h LEU 20 N 0.20 0.99 -1.47 0.00 4.07 -0.52 -2.01 115.31 116.56 1gnk h LEU 20 Ca 0.07 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.81 1gnk h LEU 20 Cb 0.14 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.60 1gnk h LEU 20 CO -0.01 0.94 0.25 -1.28 -1.08 0.00 0.00 178.44 177.26 1gnk h SER 21 N 0.99 0.54 0.42 -0.43 0.87 -0.37 -0.40 113.55 115.16 1gnk h SER 21 Ca 0.22 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1gnk h SER 21 Cb 0.31 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1gnk h SER 21 CO -0.01 0.43 -0.01 0.77 -0.53 0.00 0.00 176.83 177.49 1gnk h SER 22 N 0.62 0.00 -0.49 6.23 4.64 0.02 -1.67 113.55 122.89 1gnk h SER 22 Ca 0.16 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.30 1gnk h SER 22 Cb 0.01 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.99 1gnk h SER 22 CO -0.03 0.01 0.11 2.30 -0.87 0.00 0.00 176.83 178.35 1gnk n ILE 23 N -3.14 2.65 -1.00 0.95 -5.35 -0.26 -4.96 119.36 108.25 1gnk n ILE 23 Ca -0.02 -2.17 0.00 0.00 -0.27 0.00 0.00 62.75 60.30 1gnk n ILE 23 Cb 0.18 -0.33 0.00 0.00 -1.74 0.00 0.00 39.64 37.75 1gnk n ILE 23 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gnk n GLY 24 N -0.75 0.44 3.27 3.28 0.00 -0.63 -5.01 105.19 105.79 1gnk n GLY 24 Ca 0.35 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 1gnk n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gnk s ILE 25 N -1.90 4.18 -0.06 -0.61 1.01 -0.60 -4.90 121.20 118.31 1gnk s ILE 25 Ca 0.00 -1.37 0.09 0.00 0.00 0.00 0.00 60.65 59.37 1gnk s ILE 25 Cb 0.00 -3.54 -0.12 0.00 0.01 0.00 0.00 42.46 38.80 1gnk s ILE 25 CO 0.00 -0.47 0.09 0.00 0.00 0.00 0.00 174.94 174.56 1gnk n GLN 26 N 4.90 1.75 -2.76 2.79 6.02 -1.26 -2.37 117.38 126.46 1gnk n GLN 26 Ca -0.10 -0.03 -0.43 0.00 -0.01 0.00 0.00 57.00 56.43 1gnk n GLN 26 Cb 0.43 -1.23 -0.04 0.00 1.02 0.00 0.00 30.24 30.43 1gnk n GLN 26 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1gnk s GLY 27 N -3.75 1.30 0.18 1.08 0.00 -1.26 -5.00 107.32 99.87 1gnk s GLY 27 Ca -0.04 -1.24 0.04 0.00 0.00 0.00 0.00 44.72 43.48 1gnk s GLY 27 CO 0.38 2.20 -0.06 1.08 0.00 0.00 0.00 173.10 176.70 1gnk s LEU 28 N 4.34 2.38 -0.12 0.66 1.43 -1.26 -4.68 118.68 121.43 1gnk s LEU 28 Ca 0.32 -1.10 0.03 0.00 -1.03 0.00 0.00 54.13 52.36 1gnk s LEU 28 Cb -0.12 -0.29 0.00 0.00 0.03 0.00 0.00 46.19 45.82 1gnk s LEU 28 CO 0.19 -0.42 -0.23 -0.89 0.23 0.00 0.00 176.35 175.23 1gnk s THR 29 N -3.39 2.07 -0.08 5.49 2.01 -0.76 -4.96 115.64 116.01 1gnk s THR 29 Ca 0.21 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.22 1gnk s THR 29 Cb 0.04 -1.80 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 1gnk s THR 29 CO 0.03 0.55 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.77 1gnk s VAL 30 N 0.57 3.75 -0.01 3.82 1.01 -1.26 -0.73 120.40 127.55 1gnk s VAL 30 Ca -0.13 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1gnk s VAL 30 Cb -0.17 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.67 1gnk s VAL 30 CO 0.04 0.59 -0.04 -0.89 0.00 0.00 0.00 175.10 174.79 1gnk s THR 31 N -0.69 0.38 -0.13 3.92 2.01 0.48 -4.98 115.64 116.63 1gnk s THR 31 Ca 0.11 -0.16 -0.23 0.00 0.31 0.00 0.00 61.69 61.71 1gnk s THR 31 Cb -0.11 -0.35 -0.03 0.00 0.01 0.00 0.00 72.50 72.02 1gnk s THR 31 CO 0.02 0.13 0.70 -1.61 -0.69 0.00 0.00 174.62 173.17 1gnk s GLU 32 N 0.15 4.34 0.30 4.92 2.02 -1.26 -0.24 118.70 128.93 1gnk s GLU 32 Ca -0.01 0.83 0.06 0.00 0.02 0.00 0.00 54.97 55.86 1gnk s GLU 32 Cb -0.05 -3.51 -0.02 0.00 0.10 0.00 0.00 34.13 30.65 1gnk s GLU 32 CO -0.00 -0.10 0.20 1.33 0.02 0.00 0.00 175.26 176.71 1gnk n VAL 33 N 4.23 0.00 -4.02 2.63 0.24 -0.82 -4.95 118.33 115.64 1gnk n VAL 33 Ca -0.00 -2.05 -0.12 0.00 -2.04 0.00 0.00 64.34 60.14 1gnk n VAL 33 Cb 0.50 0.93 -0.12 0.00 -1.47 0.00 0.00 33.84 33.68 1gnk n VAL 33 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1gnk s LYS 34 N -3.20 0.36 0.18 7.34 1.02 -1.26 -0.95 119.74 123.23 1gnk s LYS 34 Ca 0.28 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.75 1gnk s LYS 34 Cb 0.01 -0.12 0.00 0.00 -0.52 0.00 0.00 37.83 37.21 1gnk s LYS 34 CO 0.20 0.01 0.02 0.41 -0.92 0.00 0.00 175.35 175.07 1gnk n GLY 35 N 1.94 3.85 3.27 -3.33 0.00 0.92 -4.90 105.19 106.93 1gnk n GLY 35 Ca -0.20 -2.26 -0.15 0.00 0.00 0.00 0.00 46.02 43.40 1gnk n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gnk s PHE 36 N -1.57 1.36 0.20 1.61 0.40 -1.26 -0.69 117.98 118.04 1gnk s PHE 36 Ca 0.01 -0.70 -0.23 0.00 -0.60 0.00 0.00 56.93 55.41 1gnk s PHE 36 Cb -0.00 -0.68 0.05 0.00 0.51 0.00 0.00 43.02 42.90 1gnk s PHE 36 CO 0.01 0.14 0.70 0.20 0.70 0.00 0.00 175.22 176.97 1gnk s GLY 37 N -3.13 -0.36 -0.28 4.36 0.00 -0.65 -4.87 107.32 102.39 1gnk s GLY 37 Ca 0.17 0.17 -0.09 0.00 0.00 0.00 0.00 44.72 44.97 1gnk s GLY 37 CO 0.02 0.06 0.14 0.50 0.00 0.00 0.00 173.10 173.81 1gnk s ARG 38 N -3.74 3.66 -0.62 2.90 0.52 -1.26 -1.09 118.95 119.32 1gnk s ARG 38 Ca 0.06 -0.49 -0.10 0.00 -0.52 0.00 0.00 55.73 54.67 1gnk s ARG 38 Cb -0.03 -3.51 0.16 0.00 0.52 0.00 0.00 34.95 32.09 1gnk s ARG 38 CO -0.03 -0.25 0.52 0.08 0.02 0.00 0.00 175.30 175.63 1gnk s VAL 53 N 1.67 4.70 0.44 3.52 1.01 -1.26 -5.20 120.40 125.28 1gnk s VAL 53 Ca 0.06 -2.19 -0.04 0.00 0.00 0.00 0.00 61.98 59.82 1gnk s VAL 53 Cb -0.16 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1gnk s VAL 53 CO 0.07 -0.89 0.71 0.54 0.00 0.00 0.00 175.10 175.53 1gnk s ASN 54 N 2.27 6.28 0.46 3.32 6.03 -0.25 -5.09 114.94 127.96 1gnk s ASN 54 Ca 0.11 0.79 -0.18 0.00 -1.03 0.00 0.00 52.86 52.55 1gnk s ASN 54 Cb -0.21 -2.18 -0.09 0.00 -3.03 0.00 0.00 41.25 35.74 1gnk s ASN 54 CO -0.03 -0.49 0.93 -0.36 -2.03 0.00 0.00 177.10 175.12 1gnk s PHE 55 N -2.60 3.39 -0.07 1.54 0.40 -1.26 -1.64 117.98 117.75 1gnk s PHE 55 Ca 0.45 1.46 -0.01 0.00 -0.60 0.00 0.00 56.93 58.23 1gnk s PHE 55 Cb -0.10 -2.76 0.03 0.00 0.51 0.00 0.00 43.02 40.69 1gnk s PHE 55 CO 0.42 -0.21 0.01 -0.51 0.70 0.00 0.00 175.22 175.63 1gnk s LEU 56 N -3.62 0.57 0.38 -0.37 1.02 0.13 -4.85 118.68 111.93 1gnk s LEU 56 Ca 0.59 -0.06 -0.27 0.00 0.02 0.00 0.00 54.13 54.40 1gnk s LEU 56 Cb -0.10 -0.40 -0.10 0.00 0.02 0.00 0.00 46.19 45.62 1gnk s LEU 56 CO 0.23 -0.19 1.34 -2.84 0.02 0.00 0.00 176.35 174.90 1gnk s PRO 57 N 1.95 4.11 0.18 1.29 0.02 -1.26 -0.06 135.00 141.23 1gnk s PRO 57 Ca 0.04 2.25 -0.06 0.00 0.02 0.00 0.00 61.00 63.25 1gnk s PRO 57 Cb -0.12 -2.90 -0.02 0.00 0.02 0.00 0.00 34.50 31.48 1gnk s PRO 57 CO -0.05 -0.40 0.25 0.15 -0.33 0.00 0.00 177.00 176.61 1gnk s LYS 58 N -2.07 1.20 -0.06 5.54 -0.14 -0.12 -4.55 119.74 119.54 1gnk s LYS 58 Ca 0.54 -1.34 0.04 0.00 -1.36 0.00 0.00 55.97 53.85 1gnk s LYS 58 Cb -0.40 0.35 -0.00 0.00 -1.68 0.00 0.00 37.83 36.09 1gnk s LYS 58 CO 0.53 -0.43 -0.19 0.08 -0.76 0.00 0.00 175.35 174.57 1gnk s VAL 59 N -4.04 1.63 -0.20 3.17 1.01 -0.70 -1.95 120.40 119.32 1gnk s VAL 59 Ca 0.24 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 1gnk s VAL 59 Cb 0.04 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 1gnk s VAL 59 CO 0.05 0.46 -0.01 -0.75 0.00 0.00 0.00 175.10 174.85 1gnk s LYS 60 N 0.09 3.59 -0.10 2.72 2.20 0.66 -0.21 119.74 128.70 1gnk s LYS 60 Ca -0.07 -0.53 0.02 0.00 -0.36 0.00 0.00 55.97 55.03 1gnk s LYS 60 Cb -0.13 -3.05 -0.01 0.00 -1.51 0.00 0.00 37.83 33.12 1gnk s LYS 60 CO 0.04 0.01 -0.18 0.42 -0.36 0.00 0.00 175.35 175.28 1gnk s ILE 61 N 0.99 2.64 -0.11 5.43 1.01 0.42 -0.39 121.20 131.19 1gnk s ILE 61 Ca 0.01 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.86 1gnk s ILE 61 Cb -0.14 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 1gnk s ILE 61 CO 0.01 0.55 -0.19 -1.81 0.00 0.00 0.00 174.94 173.51 1gnk s ASP 62 N 0.15 3.55 -0.04 3.58 1.01 0.09 -0.20 116.67 124.81 1gnk s ASP 62 Ca -0.10 -0.44 0.02 0.00 0.71 0.00 0.00 52.55 52.75 1gnk s ASP 62 Cb -0.16 -1.48 0.01 0.00 1.01 0.00 0.00 42.92 42.31 1gnk s ASP 62 CO 0.06 0.17 -0.10 0.54 0.21 0.00 0.00 175.17 176.05 1gnk s VAL 63 N 0.31 0.91 -0.23 -1.27 0.11 0.67 -1.83 120.40 119.07 1gnk s VAL 63 Ca -0.14 -0.39 -0.12 0.00 -2.93 0.00 0.00 61.98 58.39 1gnk s VAL 63 Cb -0.17 -0.83 -0.05 0.00 -1.53 0.00 0.00 36.38 33.81 1gnk s VAL 63 CO 0.07 0.29 0.25 0.00 -3.33 0.00 0.00 175.10 172.38 1gnk s ALA 64 N 0.41 3.59 0.23 1.54 0.00 -1.26 -0.27 121.76 126.00 1gnk s ALA 64 Ca -0.08 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.11 1gnk s ALA 64 Cb -0.12 -2.45 -0.05 0.00 0.00 0.00 0.00 23.12 20.51 1gnk s ALA 64 CO 0.02 -0.27 0.09 0.96 0.00 0.00 0.00 175.76 176.56 1gnk s ILE 65 N 1.22 0.43 0.33 0.00 -4.36 0.02 -4.99 121.20 113.86 1gnk s ILE 65 Ca 0.11 -1.99 -0.17 0.00 -0.26 0.00 0.00 60.65 58.34 1gnk s ILE 65 Cb -0.14 -2.53 -0.09 0.00 1.25 0.00 0.00 42.46 40.95 1gnk s ILE 65 CO 0.06 -0.07 0.78 0.00 0.24 0.00 0.00 174.94 175.95 1gnk s ALA 66 N -3.84 3.28 0.40 2.27 0.00 -1.26 -0.70 121.76 121.91 1gnk s ALA 66 Ca 0.36 0.13 0.17 0.00 0.00 0.00 0.00 51.96 52.61 1gnk s ALA 66 Cb 0.07 -2.85 1.05 0.00 0.00 0.00 0.00 23.12 21.40 1gnk s ALA 66 CO 0.12 0.29 1.83 -0.44 0.00 0.00 0.00 175.76 177.56 1gnk h ASP 67 N 2.32 0.45 0.55 0.00 3.32 -1.95 -0.24 116.42 120.88 1gnk h ASP 67 Ca -0.48 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1gnk h ASP 67 Cb 1.18 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1gnk h ASP 67 CO 0.65 0.16 0.00 0.44 -1.72 0.00 0.00 179.24 178.77 1gnk h ASP 68 N 0.44 0.00 0.24 6.45 3.32 -2.01 -2.64 116.42 122.22 1gnk h ASP 68 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 1gnk h ASP 68 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1gnk h ASP 68 CO -0.22 0.00 -0.38 0.00 -1.72 0.00 0.00 179.24 176.92 1gnk n GLN 69 N -2.55 0.67 0.05 3.56 6.02 -0.10 -4.60 117.38 120.42 1gnk n GLN 69 Ca 0.00 -0.43 -0.11 0.00 -0.01 0.00 0.00 57.00 56.45 1gnk n GLN 69 Cb 0.19 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.91 1gnk n GLN 69 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1gnk h LEU 70 N 1.06 -0.85 -0.68 1.08 6.46 -1.57 -0.61 115.31 120.20 1gnk h LEU 70 Ca 0.00 0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.84 1gnk h LEU 70 Cb 0.54 0.35 -0.03 0.00 -0.73 0.00 0.00 40.66 40.79 1gnk h LEU 70 CO 0.00 -0.35 0.28 0.44 -0.62 0.00 0.00 178.44 178.19 1gnk h ASP 71 N -0.42 0.93 -0.58 1.25 3.32 -1.83 -0.47 116.42 118.63 1gnk h ASP 71 Ca 0.07 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 1gnk h ASP 71 Cb 0.51 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1gnk h ASP 71 CO -0.26 0.84 0.18 -0.08 -1.72 0.00 0.00 179.24 178.20 1gnk h GLU 72 N 0.96 0.90 -0.14 3.56 4.81 -1.81 -0.89 114.58 121.97 1gnk h GLU 72 Ca 0.23 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1gnk h GLU 72 Cb 0.20 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1gnk h GLU 72 CO -0.02 0.81 0.04 0.28 -0.73 0.00 0.00 179.01 179.38 1gnk h VAL 73 N 0.81 1.20 -0.92 0.32 2.07 -0.84 -0.49 116.25 118.40 1gnk h VAL 73 Ca 0.19 -0.61 0.06 0.00 0.82 0.00 0.00 66.70 67.16 1gnk h VAL 73 Cb 0.29 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 1gnk h VAL 73 CO -0.01 0.18 0.58 0.40 0.02 0.00 0.00 177.57 178.75 1gnk h ILE 74 N 0.03 1.06 0.14 4.57 2.04 -0.94 0.56 117.51 124.97 1gnk h ILE 74 Ca 0.04 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1gnk h ILE 74 Cb 0.25 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1gnk h ILE 74 CO 0.00 0.19 -0.07 -0.78 0.00 0.00 0.00 178.15 177.49 1gnk h ASP 75 N 1.06 -0.16 -0.44 1.72 3.58 -0.92 -1.45 116.42 119.80 1gnk h ASP 75 Ca 0.40 -0.23 -0.13 0.00 0.42 0.00 0.00 57.03 57.48 1gnk h ASP 75 Cb 0.17 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1gnk h ASP 75 CO -0.17 0.15 -0.24 0.40 -2.88 0.00 0.00 179.24 176.49 1gnk h ILE 76 N -0.49 1.27 -0.31 2.25 1.08 -0.92 -2.69 117.51 117.70 1gnk h ILE 76 Ca -0.02 -1.41 -0.04 0.00 -0.39 0.00 0.00 64.86 63.00 1gnk h ILE 76 Cb 0.39 1.23 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 1gnk h ILE 76 CO 0.03 0.48 0.03 0.58 -0.69 0.00 0.00 178.15 178.59 1gnk h VAL 77 N 0.78 1.24 0.04 1.67 2.07 -0.93 -1.93 116.25 119.19 1gnk h VAL 77 Ca 0.09 -0.85 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1gnk h VAL 77 Cb 0.82 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1gnk h VAL 77 CO 0.07 0.28 -0.22 0.28 0.02 0.00 0.00 177.57 178.00 1gnk h SER 78 N 0.34 -0.63 -0.97 0.57 0.02 -1.24 -0.27 113.55 111.37 1gnk h SER 78 Ca 0.09 0.08 0.05 0.00 -0.84 0.00 0.00 61.79 61.17 1gnk h SER 78 Cb 0.38 0.25 -0.06 0.00 0.14 0.00 0.00 62.40 63.11 1gnk h SER 78 CO 0.01 -0.29 0.63 0.11 -1.14 0.00 0.00 176.83 176.15 1gnk h LYS 79 N -0.37 1.15 -0.03 3.45 6.56 -1.49 -1.60 116.57 124.24 1gnk h LYS 79 Ca 0.05 -0.07 -0.21 0.00 -1.06 0.00 0.00 60.65 59.35 1gnk h LYS 79 Cb 0.43 -0.26 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 1gnk h LYS 79 CO -0.17 0.76 -0.87 0.00 -2.06 0.00 0.00 179.45 177.11 1gnk h ALA 80 N 1.42 0.43 0.00 3.86 0.00 -0.97 -3.26 119.26 120.74 1gnk h ALA 80 Ca 0.40 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1gnk h ALA 80 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1gnk h ALA 80 CO -0.14 0.79 -0.22 0.00 0.00 0.00 0.00 179.25 179.68 1gnk h ALA 81 N 0.79 0.88 -3.01 0.00 0.00 -0.90 -3.40 119.26 113.61 1gnk h ALA 81 Ca -0.06 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.30 1gnk h ALA 81 Cb 1.49 0.00 0.13 0.00 0.00 0.00 0.00 17.79 19.41 1gnk h ALA 81 CO 0.15 0.00 0.65 -0.47 0.00 0.00 0.00 179.25 179.58 1gnk s TYR 82 N -3.20 2.35 0.00 0.00 5.04 -0.62 -4.88 117.35 116.04 1gnk s TYR 82 Ca 0.07 1.32 0.00 0.00 -2.44 0.00 0.00 57.07 56.02 1gnk s TYR 82 Cb 0.09 -3.86 0.00 0.00 0.35 0.00 0.00 41.96 38.54 1gnk s TYR 82 CO 0.67 -2.94 0.00 0.25 -1.34 0.00 0.00 175.55 172.19 1gnk n THR 83 N -0.69 0.00 0.00 4.34 -2.24 -1.26 -5.03 114.28 109.40 1gnk n THR 83 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1gnk n THR 83 Cb 0.44 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 1gnk n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gnk n GLY 84 N 0.67 0.89 3.88 3.38 0.00 -1.26 -5.06 105.19 107.69 1gnk n GLY 84 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1gnk n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gnk s LYS 85 N -0.89 3.73 0.74 1.61 1.02 -1.26 -5.06 119.74 119.63 1gnk s LYS 85 Ca 0.00 0.12 -0.15 0.00 0.02 0.00 0.00 55.97 55.96 1gnk s LYS 85 Cb 0.00 -2.80 0.02 0.00 -0.52 0.00 0.00 37.83 34.53 1gnk s LYS 85 CO 0.00 0.43 0.98 0.44 -0.92 0.00 0.00 175.35 176.27 1gnk n ILE 86 N 0.17 2.62 -0.40 2.17 -5.35 -1.26 -3.32 119.36 113.99 1gnk n ILE 86 Ca -0.02 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1gnk n ILE 86 Cb 0.52 -1.10 0.00 0.00 -1.74 0.00 0.00 39.64 37.32 1gnk n ILE 86 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gnk n GLY 87 N 1.04 0.77 0.34 3.28 0.00 -1.26 -4.96 105.19 104.40 1gnk n GLY 87 Ca 0.13 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.32 1gnk n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1gnk h ASP 88 N 0.00 0.00 -5.00 1.61 5.19 -1.92 -3.41 116.42 112.89 1gnk h ASP 88 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1gnk h ASP 88 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1gnk h ASP 88 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 1gnk n GLY 89 N -1.46 -1.16 3.16 2.75 0.00 -1.26 -4.23 105.19 102.99 1gnk n GLY 89 Ca 0.03 -2.20 -0.09 0.00 0.00 0.00 0.00 46.02 43.76 1gnk n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gnk s LYS 90 N -0.41 0.71 -0.13 1.61 1.02 -0.92 -4.99 119.74 116.64 1gnk s LYS 90 Ca 0.00 -0.90 -0.00 0.00 0.02 0.00 0.00 55.97 55.09 1gnk s LYS 90 Cb 0.00 0.28 -0.02 0.00 -0.52 0.00 0.00 37.83 37.58 1gnk s LYS 90 CO 0.00 -0.20 -0.12 0.42 -0.92 0.00 0.00 175.35 174.53 1gnk s ILE 91 N -3.35 3.14 -0.03 2.17 1.01 -1.26 -1.49 121.20 121.39 1gnk s ILE 91 Ca 0.01 -0.64 0.08 0.00 0.00 0.00 0.00 60.65 60.10 1gnk s ILE 91 Cb 0.03 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 1gnk s ILE 91 CO -0.08 0.53 -0.26 -0.36 0.00 0.00 0.00 174.94 174.77 1gnk s PHE 92 N 0.26 2.34 -0.08 3.97 0.08 0.13 -4.99 117.98 119.68 1gnk s PHE 92 Ca -0.09 -0.49 0.04 0.00 0.12 0.00 0.00 56.93 56.52 1gnk s PHE 92 Cb -0.15 -1.51 0.00 0.00 -0.57 0.00 0.00 43.02 40.79 1gnk s PHE 92 CO 0.05 -0.07 -0.20 0.08 -0.10 0.00 0.00 175.22 174.98 1gnk s VAL 93 N -0.54 1.72 0.07 -0.44 1.01 -1.26 -1.56 120.40 119.40 1gnk s VAL 93 Ca 0.08 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1gnk s VAL 93 Cb -0.11 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1gnk s VAL 93 CO -0.00 0.49 -0.05 0.00 0.00 0.00 0.00 175.10 175.54 1gnk s ALA 94 N 0.33 0.66 0.18 5.51 0.00 -0.98 -5.01 121.76 122.46 1gnk s ALA 94 Ca -0.14 -1.16 -0.30 0.00 0.00 0.00 0.00 51.96 50.36 1gnk s ALA 94 Cb -0.16 0.19 -0.08 0.00 0.00 0.00 0.00 23.12 23.08 1gnk s ALA 94 CO 0.06 -0.26 1.14 -2.00 0.00 0.00 0.00 175.76 174.70 1gnk s GLU 95 N -3.43 4.55 -0.26 0.00 2.56 -1.26 -0.59 118.70 120.27 1gnk s GLU 95 Ca 0.05 1.79 -0.04 0.00 0.00 0.00 0.00 54.97 56.77 1gnk s GLU 95 Cb 0.04 -3.26 0.01 0.00 2.00 0.00 0.00 34.13 32.92 1gnk s GLU 95 CO -0.06 0.01 -0.01 -1.17 -0.56 0.00 0.00 175.26 173.47 1gnk s LEU 96 N -0.36 3.35 0.01 2.70 0.20 -0.38 -4.64 118.68 119.55 1gnk s LEU 96 Ca 0.51 -0.69 -0.11 0.00 0.69 0.00 0.00 54.13 54.53 1gnk s LEU 96 Cb -0.31 -1.76 -0.32 0.00 -0.43 0.00 0.00 46.19 43.37 1gnk s LEU 96 CO 0.36 -0.12 0.91 1.56 -0.29 0.00 0.00 176.35 178.76 1gnk h GLN 97 N 8.12 0.41 -2.48 1.98 4.20 -1.96 -3.34 115.11 122.05 1gnk h GLN 97 Ca -0.34 -0.71 -0.06 0.00 0.06 0.00 0.00 58.65 57.60 1gnk h GLN 97 Cb 1.13 0.26 -0.17 0.00 0.30 0.00 0.00 27.48 29.00 1gnk h GLN 97 CO 0.59 1.32 0.12 0.50 -0.67 0.00 0.00 178.83 180.70 1gnk s ARG 98 N -2.61 1.07 0.01 1.46 3.52 -1.26 -4.97 118.95 116.17 1gnk s ARG 98 Ca -0.10 -0.05 0.00 0.00 -0.13 0.00 0.00 55.73 55.45 1gnk s ARG 98 Cb 0.05 0.50 -0.01 0.00 -1.56 0.00 0.00 34.95 33.93 1gnk s ARG 98 CO 0.90 -0.38 -0.02 0.08 -0.81 0.00 0.00 175.30 175.07 1gnk s VAL 99 N -2.06 0.14 -0.06 7.11 1.01 -1.26 -4.98 120.40 120.31 1gnk s VAL 99 Ca -0.07 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.61 1gnk s VAL 99 Cb -0.01 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 36.22 1gnk s VAL 99 CO 0.02 -0.10 -0.05 -0.63 0.00 0.00 0.00 175.10 174.34 1gnk s ILE 100 N -0.41 0.63 -0.48 2.22 1.09 -1.26 -0.71 121.20 122.28 1gnk s ILE 100 Ca -0.03 -0.14 -0.26 0.00 -1.10 0.00 0.00 60.65 59.11 1gnk s ILE 100 Cb -0.03 -0.66 0.03 0.00 -1.06 0.00 0.00 42.46 40.74 1gnk s ILE 100 CO -0.00 0.26 0.99 -0.60 -0.10 0.00 0.00 174.94 175.49 1gnk s ARG 101 N 1.14 3.54 0.23 2.79 3.52 0.24 -4.95 118.95 125.46 1gnk s ARG 101 Ca -0.07 0.20 -0.08 0.00 -0.13 0.00 0.00 55.73 55.64 1gnk s ARG 101 Cb -0.14 -3.94 0.37 0.00 -1.56 0.00 0.00 34.95 29.68 1gnk s ARG 101 CO -0.01 -1.32 1.67 0.82 -0.81 0.00 0.00 175.30 175.65 1gnk h ILE 102 N 6.11 0.49 -0.73 4.11 2.04 -1.95 0.29 117.51 127.88 1gnk h ILE 102 Ca -0.24 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1gnk h ILE 102 Cb 1.07 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 1gnk h ILE 102 CO 1.07 0.03 0.41 -0.09 0.00 0.00 0.00 178.15 179.57 1gnk h ARG 103 N 0.18 1.00 0.00 2.37 2.43 -1.98 -3.30 114.38 115.08 1gnk h ARG 103 Ca 0.37 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1gnk h ARG 103 Cb 0.61 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1gnk h ARG 103 CO -0.53 0.72 -1.26 0.25 -1.51 0.00 0.00 179.97 177.65 1gnk n THR 104 N -4.37 0.00 -0.72 0.20 -2.24 -1.12 -5.00 114.28 101.03 1gnk n THR 104 Ca 0.07 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1gnk n THR 104 Cb 0.09 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1gnk n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gnk n GLY 105 N 1.96 0.77 3.75 3.38 0.00 1.00 -5.02 105.19 111.03 1gnk n GLY 105 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1gnk n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gnk s GLU 106 N -0.28 3.11 0.13 1.61 2.02 -1.23 -4.70 118.70 119.35 1gnk s GLU 106 Ca 0.00 2.18 0.10 0.00 0.02 0.00 0.00 54.97 57.27 1gnk s GLU 106 Cb 0.00 -2.21 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 1gnk s GLU 106 CO 0.00 -1.20 -0.24 0.00 0.02 0.00 0.00 175.26 173.84 1gnk s ALA 107 N -1.33 2.49 0.00 5.21 0.00 -1.26 -0.59 121.76 126.27 1gnk s ALA 107 Ca 0.72 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1gnk s ALA 107 Cb -0.39 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.25 1gnk s ALA 107 CO 0.46 0.55 0.00 -0.25 0.00 0.00 0.00 175.76 176.52 1gnk n ASP 108 N 0.85 0.00 0.12 0.00 8.00 0.11 -1.81 116.55 123.82 1gnk n ASP 108 Ca -0.17 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.49 1gnk n ASP 108 Cb 0.53 0.00 0.70 0.00 -0.02 0.00 0.00 41.12 42.33 1gnk n ASP 108 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1gnk h GLU 109 N 0.00 0.00 0.00 -1.24 5.08 -1.97 0.40 114.58 116.85 1gnk h GLU 109 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1gnk h GLU 109 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1gnk h GLU 109 CO 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1gnk n ALA 110 N -2.55 2.20 0.96 3.43 0.00 -0.75 -2.90 120.51 120.91 1gnk n ALA 110 Ca 0.04 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.55 1gnk n ALA 110 Cb 0.39 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 1gnk n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gnk n ALA 111 N -1.69 3.75 1.50 0.00 0.00 0.13 -4.71 120.51 119.48 1gnk n ALA 111 Ca 0.06 -0.62 0.12 0.00 0.00 0.00 0.00 53.44 52.99 1gnk n ALA 111 Cb 0.37 -0.76 0.71 0.00 0.00 0.00 0.00 19.45 19.78 1gnk n ALA 111 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78