#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 1.70 -0.36 0.03 2.47 0.14 -1.05 119.74 122.66 1gnk s LYS 2 Ca 0.00 -0.63 -0.07 0.00 -1.56 0.00 0.00 55.97 53.71 1gnk s LYS 2 Cb 0.00 -1.53 0.06 0.00 -1.46 0.00 0.00 37.83 34.90 1gnk s LYS 2 CO 0.00 0.30 0.15 -1.17 0.16 0.00 0.00 175.35 174.78 1gnk s LEU 3 N -0.13 4.59 -0.26 5.43 1.98 0.90 -0.60 118.68 130.60 1gnk s LEU 3 Ca -0.00 -1.32 -0.09 0.00 -2.89 0.00 0.00 54.13 49.83 1gnk s LEU 3 Cb -0.10 -1.89 -0.04 0.00 0.66 0.00 0.00 46.19 44.82 1gnk s LEU 3 CO 0.01 -0.39 0.13 -0.69 -1.89 0.00 0.00 176.35 173.52 1gnk s VAL 4 N 1.38 4.91 -0.13 1.68 1.01 -0.20 -1.23 120.40 127.81 1gnk s VAL 4 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1gnk s VAL 4 Cb -0.21 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 1gnk s VAL 4 CO 0.02 0.31 -0.16 -0.89 0.00 0.00 0.00 175.10 174.38 1gnk s THR 5 N 1.54 2.79 -0.15 3.92 2.01 -0.52 -1.14 115.64 124.09 1gnk s THR 5 Ca 0.06 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.33 1gnk s THR 5 Cb -0.15 -2.15 0.01 0.00 0.01 0.00 0.00 72.50 70.21 1gnk s THR 5 CO 0.07 0.53 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.63 1gnk s VAL 6 N 0.43 2.14 -0.28 3.82 1.01 0.03 -0.78 120.40 126.78 1gnk s VAL 6 Ca -0.12 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 60.84 1gnk s VAL 6 Cb -0.16 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1gnk s VAL 6 CO 0.05 0.54 0.11 -0.63 0.00 0.00 0.00 175.10 175.17 1gnk s ILE 7 N 0.90 4.44 0.25 2.22 -1.09 -0.68 -0.65 121.20 126.58 1gnk s ILE 7 Ca -0.05 -0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.09 1gnk s ILE 7 Cb -0.15 -3.16 -0.03 0.00 -1.58 0.00 0.00 42.46 37.54 1gnk s ILE 7 CO -0.04 0.22 0.22 0.27 -1.23 0.00 0.00 174.94 174.38 1gnk s ILE 8 N 1.61 0.00 0.20 2.92 -5.25 0.07 -2.38 121.20 118.37 1gnk s ILE 8 Ca 0.05 -1.93 -0.30 0.00 -0.99 0.00 0.00 60.65 57.48 1gnk s ILE 8 Cb -0.16 -2.49 -0.09 0.00 2.95 0.00 0.00 42.46 42.67 1gnk s ILE 8 CO 0.05 0.00 1.34 -0.54 -1.79 0.00 0.00 174.94 174.00 1gnk s LYS 9 N -3.88 4.36 0.24 0.37 1.02 -1.26 -0.44 119.74 120.15 1gnk s LYS 9 Ca 0.38 2.10 -0.08 0.00 0.02 0.00 0.00 55.97 58.39 1gnk s LYS 9 Cb 0.05 -3.18 0.41 0.00 -0.52 0.00 0.00 37.83 34.59 1gnk s LYS 9 CO 0.17 -0.30 1.64 -1.35 -0.92 0.00 0.00 175.35 174.58 1gnk h PRO 10 N 5.46 0.10 0.00 -1.68 0.11 -1.89 -0.81 132.00 133.29 1gnk h PRO 10 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1gnk h PRO 10 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1gnk h PRO 10 CO 0.78 0.06 0.00 0.27 -0.21 0.00 0.00 178.00 178.91 1gnk h PHE 11 N 0.10 0.00 -0.13 0.65 -0.00 -1.97 -1.74 116.94 113.85 1gnk h PHE 11 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.37 1gnk h PHE 11 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.64 1gnk h PHE 11 CO -0.42 0.00 0.00 1.63 -0.00 0.00 0.00 178.31 179.52 1gnk n LYS 12 N -2.58 1.74 -0.09 6.09 4.76 -0.31 -4.31 118.16 123.46 1gnk n LYS 12 Ca -0.01 -1.11 -0.09 0.00 -2.87 0.00 0.00 58.31 54.23 1gnk n LYS 12 Cb 0.09 -1.42 -0.01 0.00 -1.84 0.00 0.00 35.03 31.85 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 2.36 0.37 -1.20 -0.35 6.46 -1.40 -1.53 115.31 120.01 1gnk h LEU 13 Ca 0.00 -0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.79 1gnk h LEU 13 Cb 0.51 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.30 1gnk h LEU 13 CO 0.00 0.27 0.55 -0.33 -0.62 0.00 0.00 178.44 178.31 1gnk h GLU 14 N 0.43 0.97 -0.22 1.25 5.08 -1.83 0.69 114.58 120.95 1gnk h GLU 14 Ca 0.12 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1gnk h GLU 14 Cb -0.04 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 1gnk h GLU 14 CO -0.02 0.64 -0.23 -0.44 -1.00 0.00 0.00 179.01 177.96 1gnk h ASP 15 N 1.00 0.59 -0.33 1.42 3.45 -1.75 -1.63 116.42 119.17 1gnk h ASP 15 Ca 0.35 -0.48 -0.12 0.00 0.43 0.00 0.00 57.03 57.21 1gnk h ASP 15 Cb 0.11 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.70 1gnk h ASP 15 CO -0.11 0.95 -0.23 0.58 -1.57 0.00 0.00 179.24 178.86 1gnk h VAL 16 N 0.24 1.27 0.02 -1.35 2.07 -0.75 -1.74 116.25 116.01 1gnk h VAL 16 Ca 0.03 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.20 1gnk h VAL 16 Cb 0.78 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1gnk h VAL 16 CO 0.06 0.46 -0.01 -0.09 0.02 0.00 0.00 177.57 178.00 1gnk h ARG 17 N 0.71 -0.03 -0.98 1.57 1.12 -0.89 -2.16 114.38 113.72 1gnk h ARG 17 Ca 0.10 0.00 0.03 0.00 -1.11 0.00 0.00 59.98 59.00 1gnk h ARG 17 Cb 0.75 0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 30.67 1gnk h ARG 17 CO 0.06 0.15 0.64 0.93 -3.11 0.00 0.00 179.97 178.64 1gnk h GLU 18 N -0.20 1.23 0.00 0.20 5.08 -1.26 -0.80 114.58 118.83 1gnk h GLU 18 Ca -0.00 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1gnk h GLU 18 Cb 0.19 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1gnk h GLU 18 CO 0.01 0.81 -0.29 0.00 -1.00 0.00 0.00 179.01 178.54 1gnk h ALA 19 N 1.42 1.52 0.08 3.43 0.00 -1.16 -1.56 119.26 122.99 1gnk h ALA 19 Ca 0.38 -0.27 -0.24 0.00 0.00 0.00 0.00 54.91 54.78 1gnk h ALA 19 Cb -0.05 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.72 1gnk h ALA 19 CO -0.11 0.36 -0.99 -0.07 0.00 0.00 0.00 179.25 178.45 1gnk h LEU 20 N 0.00 0.73 -1.24 0.00 4.07 -0.58 -3.25 115.31 115.04 1gnk h LEU 20 Ca -0.00 -0.82 -0.07 0.00 0.08 0.00 0.00 57.88 57.07 1gnk h LEU 20 Cb 0.52 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1gnk h LEU 20 CO 0.04 1.47 -0.32 0.77 -1.08 0.00 0.00 178.44 179.32 1gnk h SER 21 N 0.09 0.00 0.43 -0.43 4.64 -0.98 -0.82 113.55 116.48 1gnk h SER 21 Ca -0.15 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.16 1gnk h SER 21 Cb 1.69 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.78 1gnk h SER 21 CO 0.19 0.32 -0.09 0.77 -0.87 0.00 0.00 176.83 177.15 1gnk h SER 22 N 0.00 0.00 -0.45 4.97 4.64 -1.32 -1.67 113.55 119.72 1gnk h SER 22 Ca -0.00 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.07 1gnk h SER 22 Cb 0.71 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.66 1gnk h SER 22 CO 0.04 0.09 0.00 2.30 -0.87 0.00 0.00 176.83 178.39 1gnk n ILE 23 N -3.48 2.66 -0.73 0.95 -5.35 -0.43 -4.95 119.36 108.03 1gnk n ILE 23 Ca -0.02 -2.71 0.00 0.00 -0.27 0.00 0.00 62.75 59.75 1gnk n ILE 23 Cb 0.23 -0.37 0.00 0.00 -1.74 0.00 0.00 39.64 37.76 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 -1.12 0.87 3.53 3.28 0.00 -0.63 -4.98 105.19 106.14 1gnk n GLY 24 Ca 0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.96 3.95 -0.79 -0.61 1.01 -0.53 -4.83 121.20 116.44 1gnk s ILE 25 Ca 0.00 0.24 0.20 0.00 0.00 0.00 0.00 60.65 61.10 1gnk s ILE 25 Cb 0.00 -4.81 -0.24 0.00 0.01 0.00 0.00 42.46 37.42 1gnk s ILE 25 CO 0.00 -1.65 0.79 0.00 0.00 0.00 0.00 174.94 174.07 1gnk n GLN 26 N 8.72 0.37 -2.93 2.79 1.13 -1.26 -3.56 117.38 122.64 1gnk n GLN 26 Ca 0.02 -0.03 -0.43 0.00 -1.94 0.00 0.00 57.00 54.61 1gnk n GLN 26 Cb 0.48 -1.46 -0.04 0.00 0.11 0.00 0.00 30.24 29.32 1gnk n GLN 26 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1gnk s GLY 27 N -3.18 1.49 0.04 1.08 0.00 -1.26 -5.01 107.32 100.48 1gnk s GLY 27 Ca 0.05 -1.71 0.03 0.00 0.00 0.00 0.00 44.72 43.09 1gnk s GLY 27 CO 0.84 1.91 -0.10 1.08 0.00 0.00 0.00 173.10 176.83 1gnk s LEU 28 N 3.66 2.20 -0.11 0.66 1.43 -1.26 -4.56 118.68 120.70 1gnk s LEU 28 Ca 0.22 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1gnk s LEU 28 Cb -0.17 -0.36 0.02 0.00 0.03 0.00 0.00 46.19 45.71 1gnk s LEU 28 CO 0.12 -0.08 -0.12 -0.89 0.23 0.00 0.00 176.35 175.61 1gnk s THR 29 N -1.03 1.30 -0.07 5.49 2.01 -0.48 -4.96 115.64 117.90 1gnk s THR 29 Ca -0.04 -0.50 0.03 0.00 0.31 0.00 0.00 61.69 61.49 1gnk s THR 29 Cb -0.08 -1.23 -0.02 0.00 0.01 0.00 0.00 72.50 71.17 1gnk s THR 29 CO 0.01 0.41 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.50 1gnk s VAL 30 N 1.24 2.89 -0.01 3.82 1.01 -1.26 0.36 120.40 128.45 1gnk s VAL 30 Ca -0.02 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1gnk s VAL 30 Cb -0.14 -2.14 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 1gnk s VAL 30 CO -0.04 0.57 -0.08 -0.89 0.00 0.00 0.00 175.10 174.66 1gnk s THR 31 N -0.44 0.67 -0.03 3.92 2.01 -0.25 -4.99 115.64 116.54 1gnk s THR 31 Ca 0.05 -0.34 -0.24 0.00 0.31 0.00 0.00 61.69 61.46 1gnk s THR 31 Cb -0.12 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 1gnk s THR 31 CO 0.02 0.20 0.75 -1.61 -0.69 0.00 0.00 174.62 173.28 1gnk s GLU 32 N -0.08 4.46 0.34 4.92 2.02 -1.26 -1.12 118.70 127.98 1gnk s GLU 32 Ca 0.01 0.98 0.06 0.00 0.02 0.00 0.00 54.97 56.04 1gnk s GLU 32 Cb -0.05 -3.42 -0.03 0.00 0.10 0.00 0.00 34.13 30.73 1gnk s GLU 32 CO -0.00 0.12 0.22 0.14 0.02 0.00 0.00 175.26 175.76 1gnk s VAL 33 N 0.55 0.17 0.03 2.63 -7.23 -0.63 -4.94 120.40 110.97 1gnk s VAL 33 Ca 0.39 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.60 1gnk s VAL 33 Cb -0.19 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.27 1gnk s VAL 33 CO 0.20 0.00 -0.13 -0.54 -0.31 0.00 0.00 175.10 174.33 1gnk s LYS 34 N -3.59 0.86 0.13 4.82 -0.14 -1.26 -0.70 119.74 119.86 1gnk s LYS 34 Ca 0.36 -0.68 -0.04 0.00 -1.36 0.00 0.00 55.97 54.24 1gnk s LYS 34 Cb 0.03 -0.84 0.02 0.00 -1.68 0.00 0.00 37.83 35.36 1gnk s LYS 34 CO 0.22 0.21 0.26 0.41 -0.76 0.00 0.00 175.35 175.69 1gnk n GLY 35 N 2.02 1.83 3.54 -3.33 0.00 0.45 -4.89 105.19 104.81 1gnk n GLY 35 Ca -0.18 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 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 -6.26 2.73 -0.70 1.61 0.40 -1.26 0.94 117.98 115.44 1gnk s PHE 36 Ca 0.06 -0.15 0.05 0.00 -0.60 0.00 0.00 56.93 56.30 1gnk s PHE 36 Cb -0.01 -1.51 0.31 0.00 0.51 0.00 0.00 43.02 42.31 1gnk s PHE 36 CO 0.05 0.34 0.98 0.41 0.70 0.00 0.00 175.22 177.70 1gnk n GLY 37 N 1.37 2.09 3.82 4.36 0.00 -1.26 -4.87 105.19 110.69 1gnk n GLY 37 Ca -0.15 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 1gnk n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gnk s ARG 38 N -1.66 2.98 0.36 1.61 0.52 -1.26 -4.77 118.95 116.74 1gnk s ARG 38 Ca 0.21 -0.82 0.07 0.00 -0.52 0.00 0.00 55.73 54.67 1gnk s ARG 38 Cb 0.16 -2.70 -0.00 0.00 0.52 0.00 0.00 34.95 32.93 1gnk s ARG 38 CO 0.06 0.49 0.50 -0.65 0.02 0.00 0.00 175.30 175.72 1gnk s GLN 39 N -3.09 3.04 0.42 3.54 -0.21 -1.26 -5.06 119.66 117.04 1gnk s GLN 39 Ca 0.31 -1.07 -0.26 0.00 0.02 0.00 0.00 55.36 54.36 1gnk s GLN 39 Cb -0.10 -2.80 -0.10 0.00 1.00 0.00 0.00 33.01 31.01 1gnk s GLN 39 CO 0.24 -0.04 1.35 0.36 -2.12 0.00 0.00 175.29 175.08 1gnk n LYS 40 N -1.70 2.13 0.00 2.91 2.85 -1.26 -4.93 118.16 118.15 1gnk n LYS 40 Ca 0.02 0.76 0.00 0.00 -1.05 0.00 0.00 58.31 58.04 1gnk n LYS 40 Cb 0.58 -2.49 0.00 0.00 -0.65 0.00 0.00 35.03 32.47 1gnk n LYS 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1gnk n GLY 41 N 0.69 3.11 3.72 2.58 0.00 -1.26 -5.14 105.19 108.88 1gnk n GLY 41 Ca 0.05 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 1gnk n GLY 41 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1gnk n HIS 42 N 0.00 1.75 -2.10 1.61 1.44 -1.26 -4.90 115.22 111.76 1gnk n HIS 42 Ca 0.00 0.42 -0.42 0.00 -2.01 0.00 0.00 57.72 55.71 1gnk n HIS 42 Cb 0.00 -2.22 -0.03 0.00 0.12 0.00 0.00 29.99 27.86 1gnk n HIS 42 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1gnk s ALA 43 N -1.61 3.62 -0.33 1.59 0.00 -1.26 -4.98 121.76 118.79 1gnk s ALA 43 Ca 0.80 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.98 1gnk s ALA 43 Cb -0.35 -3.54 0.08 0.00 0.00 0.00 0.00 23.12 19.30 1gnk s ALA 43 CO 0.43 -0.66 0.04 -1.21 0.00 0.00 0.00 175.76 174.37 1gnk s GLU 44 N 0.44 2.04 0.42 0.00 2.02 -1.26 -5.10 118.70 117.26 1gnk s GLU 44 Ca 0.62 -1.58 -0.18 0.00 0.02 0.00 0.00 54.97 53.85 1gnk s GLU 44 Cb -0.39 -3.23 -0.10 0.00 0.10 0.00 0.00 34.13 30.51 1gnk s GLU 44 CO 0.36 -0.80 0.90 -0.51 0.02 0.00 0.00 175.26 175.22 1gnk s LEU 45 N 1.10 3.91 -1.40 1.80 1.43 -1.26 -4.17 118.68 120.08 1gnk s LEU 45 Ca 0.02 1.55 -0.00 0.00 -1.03 0.00 0.00 54.13 54.67 1gnk s LEU 45 Cb -0.20 -4.41 0.00 0.00 0.03 0.00 0.00 46.19 41.61 1gnk s LEU 45 CO -0.04 -0.37 0.42 0.00 0.23 0.00 0.00 176.35 176.59 1gnk n TYR 46 N -0.78 -1.65 -0.37 0.29 -0.00 -1.26 -4.86 117.16 108.54 1gnk n TYR 46 Ca 0.06 0.74 0.02 0.00 -0.00 0.00 0.00 57.90 58.72 1gnk n TYR 46 Cb 0.54 -3.75 0.17 0.00 -0.00 0.00 0.00 39.34 36.30 1gnk n TYR 46 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 1gnk h ARG 47 N -1.84 1.17 0.00 -3.48 9.65 -1.93 -1.02 114.38 116.94 1gnk h ARG 47 Ca -0.63 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.18 1gnk h ARG 47 Cb 1.38 -0.26 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 1gnk h ARG 47 CO 0.62 0.77 0.00 0.41 2.80 0.00 0.00 179.97 184.58 1gnk n GLY 48 N -1.37 -1.12 0.28 2.80 0.00 -1.26 -2.47 105.19 102.05 1gnk n GLY 48 Ca 0.15 0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.28 1gnk n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gnk h ALA 49 N 2.18 1.33 -3.40 4.61 0.00 -1.54 -3.39 119.26 119.05 1gnk h ALA 49 Ca 0.00 -0.21 -0.60 0.00 0.00 0.00 0.00 54.91 54.10 1gnk h ALA 49 Cb 0.24 -0.16 -0.37 0.00 0.00 0.00 0.00 17.79 17.49 1gnk h ALA 49 CO 0.00 0.46 -0.81 -1.21 0.00 0.00 0.00 179.25 177.70 1gnk s GLU 50 N -5.01 1.87 -1.13 0.00 0.41 -1.03 -5.06 118.70 108.76 1gnk s GLU 50 Ca -0.08 -0.76 -0.21 0.00 -0.41 0.00 0.00 54.97 53.51 1gnk s GLU 50 Cb 0.15 -2.32 0.06 0.00 -1.78 0.00 0.00 34.13 30.25 1gnk s GLU 50 CO 0.77 -0.43 1.55 0.71 -0.49 0.00 0.00 175.26 177.38 1gnk s TYR 51 N 1.46 2.65 -0.01 1.61 4.12 -1.26 -4.65 117.35 121.27 1gnk s TYR 51 Ca -0.01 -1.17 0.01 0.00 0.02 0.00 0.00 57.07 55.93 1gnk s TYR 51 Cb -0.16 -4.71 0.02 0.00 -1.52 0.00 0.00 41.96 35.59 1gnk s TYR 51 CO -0.08 -1.88 0.84 0.43 0.02 0.00 0.00 175.55 174.88 1gnk n SER 52 N 8.62 1.26 -3.84 2.29 7.64 -1.26 -5.03 113.62 123.31 1gnk n SER 52 Ca 0.39 -1.72 -0.18 0.00 1.01 0.00 0.00 58.87 58.37 1gnk n SER 52 Cb 0.49 -0.03 -0.16 0.00 -1.01 0.00 0.00 64.21 63.49 1gnk n SER 52 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1gnk s VAL 53 N -0.73 0.28 0.13 0.44 1.01 -1.26 -5.15 120.40 115.12 1gnk s VAL 53 Ca 0.02 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.10 1gnk s VAL 53 Cb 0.02 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1gnk s VAL 53 CO 0.00 0.17 -0.05 0.20 0.00 0.00 0.00 175.10 175.42 1gnk s ASN 54 N 1.00 4.59 0.43 3.32 0.01 -1.26 -5.10 114.94 117.92 1gnk s ASN 54 Ca -0.10 -0.38 -0.22 0.00 -0.71 0.00 0.00 52.86 51.44 1gnk s ASN 54 Cb -0.14 -0.93 -0.09 0.00 0.41 0.00 0.00 41.25 40.50 1gnk s ASN 54 CO -0.01 0.14 1.02 -0.36 -1.51 0.00 0.00 177.10 176.38 1gnk s PHE 55 N -1.45 3.20 -0.04 2.20 0.40 -1.26 -4.71 117.98 116.31 1gnk s PHE 55 Ca 0.24 1.62 0.07 0.00 -0.60 0.00 0.00 56.93 58.26 1gnk s PHE 55 Cb -0.10 -3.05 -0.02 0.00 0.51 0.00 0.00 43.02 40.36 1gnk s PHE 55 CO 0.16 -0.58 -0.25 -0.51 0.70 0.00 0.00 175.22 174.74 1gnk s LEU 56 N -3.00 2.10 0.19 -0.37 2.01 0.27 -4.88 118.68 114.99 1gnk s LEU 56 Ca 0.62 -0.47 -0.30 0.00 0.01 0.00 0.00 54.13 53.98 1gnk s LEU 56 Cb -0.18 -1.37 -0.08 0.00 0.01 0.00 0.00 46.19 44.57 1gnk s LEU 56 CO 0.22 0.29 1.23 -2.16 1.01 0.00 0.00 176.35 176.94 1gnk s PRO 57 N -0.41 4.46 0.18 1.29 0.04 -1.26 -0.41 135.00 138.89 1gnk s PRO 57 Ca 0.04 1.93 0.03 0.00 0.04 0.00 0.00 61.00 63.03 1gnk s PRO 57 Cb -0.12 -3.23 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 1gnk s PRO 57 CO 0.01 -0.13 -0.02 0.15 0.04 0.00 0.00 177.00 177.05 1gnk s LYS 58 N -0.23 1.16 -0.16 4.56 -0.14 0.13 -4.53 119.74 120.53 1gnk s LYS 58 Ca 0.54 -1.56 -0.02 0.00 -1.36 0.00 0.00 55.97 53.57 1gnk s LYS 58 Cb -0.34 -0.42 -0.01 0.00 -1.68 0.00 0.00 37.83 35.37 1gnk s LYS 58 CO 0.37 -0.09 -0.09 0.08 -0.76 0.00 0.00 175.35 174.87 1gnk s VAL 59 N -3.53 3.29 -0.28 3.17 1.01 0.41 -1.61 120.40 122.86 1gnk s VAL 59 Ca 0.24 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 1gnk s VAL 59 Cb 0.05 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 34.00 1gnk s VAL 59 CO 0.05 0.49 0.09 -0.75 0.00 0.00 0.00 175.10 174.98 1gnk s LYS 60 N 0.70 3.30 -0.19 2.72 2.20 -0.28 -0.75 119.74 127.44 1gnk s LYS 60 Ca -0.04 -0.72 -0.08 0.00 -0.36 0.00 0.00 55.97 54.77 1gnk s LYS 60 Cb -0.15 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.74 1gnk s LYS 60 CO 0.02 -0.36 0.07 0.42 -0.36 0.00 0.00 175.35 175.14 1gnk s ILE 61 N 1.56 4.78 -0.08 5.43 1.01 0.17 -1.09 121.20 132.98 1gnk s ILE 61 Ca 0.04 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.68 1gnk s ILE 61 Cb -0.16 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 1gnk s ILE 61 CO 0.03 0.44 -0.13 -1.81 0.00 0.00 0.00 174.94 173.47 1gnk s ASP 62 N 0.56 4.12 -0.16 3.58 1.01 0.16 -0.79 116.67 125.14 1gnk s ASP 62 Ca 0.04 -0.21 -0.08 0.00 0.71 0.00 0.00 52.55 53.00 1gnk s ASP 62 Cb -0.13 -1.14 0.06 0.00 1.01 0.00 0.00 42.92 42.73 1gnk s ASP 62 CO 0.01 0.29 0.38 0.54 0.21 0.00 0.00 175.17 176.60 1gnk s VAL 63 N -0.39 -0.20 -0.15 -1.27 0.11 -0.29 -1.38 120.40 116.84 1gnk s VAL 63 Ca 0.04 0.13 -0.19 0.00 -2.93 0.00 0.00 61.98 59.03 1gnk s VAL 63 Cb -0.12 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1gnk s VAL 63 CO 0.02 0.05 0.54 0.00 -3.33 0.00 0.00 175.10 172.38 1gnk s ALA 64 N 1.73 3.49 0.29 1.54 0.00 -1.26 -1.03 121.76 126.52 1gnk s ALA 64 Ca -0.07 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.68 1gnk s ALA 64 Cb -0.10 -2.78 -0.05 0.00 0.00 0.00 0.00 23.12 20.20 1gnk s ALA 64 CO -0.12 -0.22 0.11 0.96 0.00 0.00 0.00 175.76 176.48 1gnk s ILE 65 N 1.13 0.60 0.22 0.00 -4.36 0.23 -4.97 121.20 114.06 1gnk s ILE 65 Ca 0.27 -2.00 -0.21 0.00 -0.26 0.00 0.00 60.65 58.45 1gnk s ILE 65 Cb -0.16 -2.62 -0.08 0.00 1.25 0.00 0.00 42.46 40.85 1gnk s ILE 65 CO 0.11 0.00 0.75 0.00 0.24 0.00 0.00 174.94 176.04 1gnk s ALA 66 N -3.63 3.41 0.27 2.27 0.00 -1.26 -0.69 121.76 122.13 1gnk s ALA 66 Ca 0.36 0.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.53 1gnk s ALA 66 Cb 0.07 -2.87 0.57 0.00 0.00 0.00 0.00 23.12 20.89 1gnk s ALA 66 CO 0.15 0.31 1.63 -0.44 0.00 0.00 0.00 175.76 177.40 1gnk h ASP 67 N 3.59 -0.27 -0.04 0.00 5.19 -1.93 -2.57 116.42 120.38 1gnk h ASP 67 Ca -0.48 0.21 0.04 0.00 -0.62 0.00 0.00 57.03 56.18 1gnk h ASP 67 Cb 1.20 0.35 -0.05 0.00 0.18 0.00 0.00 39.33 41.01 1gnk h ASP 67 CO 0.65 -0.20 -0.24 0.44 -3.12 0.00 0.00 179.24 176.78 1gnk h ASP 68 N 0.12 -0.71 0.00 6.45 3.45 -2.01 -2.58 116.42 121.14 1gnk h ASP 68 Ca 0.49 0.10 0.00 0.00 0.43 0.00 0.00 57.03 58.05 1gnk h ASP 68 Cb 0.92 0.30 0.00 0.00 -0.56 0.00 0.00 39.33 39.99 1gnk h ASP 68 CO -0.71 -0.30 0.00 0.00 -1.57 0.00 0.00 179.24 176.66 1gnk n GLN 69 N -5.36 0.35 0.13 3.56 10.64 -0.97 -3.88 117.38 121.85 1gnk n GLN 69 Ca -0.04 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 54.99 1gnk n GLN 69 Cb 0.27 -1.31 -0.07 0.00 -0.86 0.00 0.00 30.24 28.28 1gnk n GLN 69 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1gnk h LEU 70 N 0.00 -1.03 -1.02 2.61 6.46 -1.53 0.13 115.31 120.93 1gnk h LEU 70 Ca 0.00 0.11 0.09 0.00 -0.12 0.00 0.00 57.88 57.97 1gnk h LEU 70 Cb 0.00 0.38 -0.08 0.00 -0.73 0.00 0.00 40.66 40.24 1gnk h LEU 70 CO 0.00 -0.45 0.64 0.44 -0.62 0.00 0.00 178.44 178.45 1gnk h ASP 71 N -0.60 0.98 -0.04 1.25 3.32 -1.83 0.11 116.42 119.61 1gnk h ASP 71 Ca 0.02 0.03 -0.17 0.00 0.02 0.00 0.00 57.03 56.93 1gnk h ASP 71 Cb 0.62 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1gnk h ASP 71 CO -0.19 0.57 -0.58 -0.33 -1.72 0.00 0.00 179.24 176.99 1gnk h GLU 72 N 1.08 0.63 -0.20 3.56 3.07 -1.71 -2.67 114.58 118.34 1gnk h GLU 72 Ca 0.46 -0.42 -0.04 0.00 -0.50 0.00 0.00 59.36 58.87 1gnk h GLU 72 Cb 0.34 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1gnk h GLU 72 CO -0.22 1.03 -0.04 0.28 -1.40 0.00 0.00 179.01 178.66 1gnk h VAL 73 N 0.48 1.28 -0.68 3.13 2.07 0.64 -1.00 116.25 122.17 1gnk h VAL 73 Ca 0.00 -1.02 0.04 0.00 0.82 0.00 0.00 66.70 66.54 1gnk h VAL 73 Cb 1.15 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 32.41 1gnk h VAL 73 CO 0.11 0.31 0.41 0.40 0.02 0.00 0.00 177.57 178.83 1gnk h ILE 74 N 0.11 1.06 0.62 4.57 2.04 -0.88 -0.85 117.51 124.18 1gnk h ILE 74 Ca 0.05 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1gnk h ILE 74 Cb 0.49 0.19 0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1gnk h ILE 74 CO 0.02 0.15 -0.30 -0.78 0.00 0.00 0.00 178.15 177.24 1gnk h ASP 75 N 0.80 -0.70 -0.43 1.72 3.58 -1.38 0.13 116.42 120.13 1gnk h ASP 75 Ca 0.28 -0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.71 1gnk h ASP 75 Cb 0.07 0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 1gnk h ASP 75 CO -0.13 -0.37 0.29 0.40 -2.88 0.00 0.00 179.24 176.55 1gnk h ILE 76 N -1.04 1.11 0.04 2.25 5.03 -1.11 -1.62 117.51 122.16 1gnk h ILE 76 Ca -0.08 -0.20 -0.00 0.00 -0.12 0.00 0.00 64.86 64.45 1gnk h ILE 76 Cb 0.69 0.48 0.00 0.00 -3.03 0.00 0.00 36.82 34.95 1gnk h ILE 76 CO 0.14 0.11 -0.02 0.58 -0.68 0.00 0.00 178.15 178.28 1gnk h VAL 77 N 0.58 1.33 -0.70 1.67 2.07 -1.00 -1.92 116.25 118.28 1gnk h VAL 77 Ca 0.16 -1.24 0.05 0.00 0.82 0.00 0.00 66.70 66.49 1gnk h VAL 77 Cb -0.05 2.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 1gnk h VAL 77 CO -0.04 0.31 0.41 0.28 0.02 0.00 0.00 177.57 178.56 1gnk h SER 78 N -0.60 0.65 -0.56 0.57 0.02 -0.55 0.33 113.55 113.41 1gnk h SER 78 Ca -0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1gnk h SER 78 Cb 0.55 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 1gnk h SER 78 CO 0.01 0.43 0.35 0.11 -1.14 0.00 0.00 176.83 176.59 1gnk h LYS 79 N 0.78 0.75 -0.05 3.45 1.57 -1.33 -1.48 116.57 120.27 1gnk h LYS 79 Ca 0.30 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.86 1gnk h LYS 79 Cb 0.12 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1gnk h LYS 79 CO -0.15 0.53 -0.67 0.00 -0.57 0.00 0.00 179.45 178.58 1gnk h ALA 80 N 1.18 0.78 0.00 3.86 0.00 -0.49 -3.31 119.26 121.29 1gnk h ALA 80 Ca 0.20 -0.59 -0.21 0.00 0.00 0.00 0.00 54.91 54.32 1gnk h ALA 80 Cb -0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1gnk h ALA 80 CO -0.04 0.78 -1.11 0.00 0.00 0.00 0.00 179.25 178.87 1gnk h ALA 81 N 1.16 0.53 -2.72 0.00 0.00 -0.20 -3.40 119.26 114.63 1gnk h ALA 81 Ca -0.01 -0.95 -0.55 0.00 0.00 0.00 0.00 54.91 53.39 1gnk h ALA 81 Cb 1.20 0.04 0.11 0.00 0.00 0.00 0.00 17.79 19.14 1gnk h ALA 81 CO 0.10 1.19 0.65 0.98 0.00 0.00 0.00 179.25 182.17 1gnk n TYR 82 N -3.21 2.63 0.00 0.00 9.36 -0.57 -4.90 117.16 120.47 1gnk n TYR 82 Ca -0.04 0.49 0.00 0.00 3.32 0.00 0.00 57.90 61.66 1gnk n TYR 82 Cb 0.92 -2.48 0.00 0.00 -0.63 0.00 0.00 39.34 37.15 1gnk n TYR 82 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1gnk n THR 83 N 0.52 0.00 0.00 2.97 -2.24 -1.26 -5.03 114.28 109.24 1gnk n THR 83 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1gnk n THR 83 Cb 0.37 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 1.49 2.85 3.76 3.38 0.00 -1.26 -5.02 105.19 110.38 1gnk n GLY 84 Ca 0.00 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 1gnk n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gnk s LYS 85 N 0.00 2.87 0.52 1.61 0.00 -1.26 -4.95 119.74 118.53 1gnk s LYS 85 Ca 0.00 1.52 -0.22 0.00 0.00 0.00 0.00 55.97 57.27 1gnk s LYS 85 Cb 0.00 -1.95 -0.05 0.00 0.00 0.00 0.00 37.83 35.83 1gnk s LYS 85 CO 0.00 -1.21 1.32 -1.50 0.00 0.00 0.00 175.35 173.95 1gnk s ILE 86 N -2.11 2.31 0.00 3.79 2.07 -1.26 -3.97 121.20 122.03 1gnk s ILE 86 Ca 0.70 0.23 0.00 0.00 -1.41 0.00 0.00 60.65 60.17 1gnk s ILE 86 Cb -0.23 -3.12 0.00 0.00 0.13 0.00 0.00 42.46 39.24 1gnk s ILE 86 CO 0.38 -0.00 0.00 0.61 -1.91 0.00 0.00 174.94 174.01 1gnk n GLY 87 N 0.66 0.95 0.29 1.50 0.00 -1.26 -5.01 105.19 102.33 1gnk n GLY 87 Ca 0.09 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.07 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 0.44 -4.89 1.61 3.32 -1.92 -3.41 116.42 111.57 1gnk h ASP 88 Ca 0.00 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1gnk h ASP 88 Cb 0.00 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1gnk h ASP 88 CO 0.00 0.39 0.00 0.61 -1.72 0.00 0.00 179.24 178.52 1gnk n GLY 89 N -1.27 0.91 3.20 2.75 0.00 -1.26 -4.22 105.19 105.30 1gnk n GLY 89 Ca 0.02 -2.29 -0.13 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.01 0.91 -0.11 1.61 1.02 -1.00 -4.99 119.74 116.17 1gnk s LYS 90 Ca 0.00 -1.30 0.03 0.00 0.02 0.00 0.00 55.97 54.73 1gnk s LYS 90 Cb 0.00 -0.47 0.00 0.00 -0.52 0.00 0.00 37.83 36.84 1gnk s LYS 90 CO 0.00 0.05 -0.23 0.42 -0.92 0.00 0.00 175.35 174.67 1gnk s ILE 91 N -3.04 2.02 -0.04 2.17 1.01 -1.26 -1.68 121.20 120.37 1gnk s ILE 91 Ca 0.11 -0.98 0.05 0.00 0.00 0.00 0.00 60.65 59.82 1gnk s ILE 91 Cb 0.01 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.69 1gnk s ILE 91 CO -0.01 0.55 -0.19 -0.36 0.00 0.00 0.00 174.94 174.92 1gnk s PHE 92 N 0.52 2.56 -0.12 3.97 0.08 0.04 -5.00 117.98 120.04 1gnk s PHE 92 Ca -0.15 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.58 1gnk s PHE 92 Cb -0.17 -1.59 0.02 0.00 -0.57 0.00 0.00 43.02 40.70 1gnk s PHE 92 CO 0.05 0.05 -0.14 0.08 -0.10 0.00 0.00 175.22 175.15 1gnk s VAL 93 N -0.57 1.46 0.19 -0.44 1.01 -1.26 -1.44 120.40 119.34 1gnk s VAL 93 Ca 0.08 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.53 1gnk s VAL 93 Cb -0.11 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1gnk s VAL 93 CO 0.01 0.44 -0.15 0.00 0.00 0.00 0.00 175.10 175.39 1gnk s ALA 94 N 1.14 1.92 0.14 5.51 0.00 -0.37 -4.98 121.76 125.12 1gnk s ALA 94 Ca -0.04 -1.58 -0.24 0.00 0.00 0.00 0.00 51.96 50.10 1gnk s ALA 94 Cb -0.14 -0.09 -0.07 0.00 0.00 0.00 0.00 23.12 22.81 1gnk s ALA 94 CO -0.04 0.09 0.74 -2.00 0.00 0.00 0.00 175.76 174.55 1gnk s GLU 95 N -3.39 4.50 -0.22 0.00 2.56 -1.26 -0.07 118.70 120.81 1gnk s GLU 95 Ca 0.19 1.07 -0.05 0.00 0.00 0.00 0.00 54.97 56.19 1gnk s GLU 95 Cb -0.02 -3.27 -0.01 0.00 2.00 0.00 0.00 34.13 32.83 1gnk s GLU 95 CO 0.06 0.55 -0.02 -0.51 -0.56 0.00 0.00 175.26 174.78 1gnk s LEU 96 N -1.01 3.05 -0.02 2.70 1.43 -0.22 -4.76 118.68 119.85 1gnk s LEU 96 Ca 0.35 -0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 52.97 1gnk s LEU 96 Cb -0.22 -1.78 -0.08 0.00 0.03 0.00 0.00 46.19 44.13 1gnk s LEU 96 CO 0.25 -0.00 0.71 -0.61 0.23 0.00 0.00 176.35 176.92 1gnk h GLN 97 N 7.99 -0.53 -4.79 1.70 4.15 -1.97 -3.06 115.11 118.61 1gnk h GLN 97 Ca -0.39 0.04 -0.30 0.00 0.77 0.00 0.00 58.65 58.76 1gnk h GLN 97 Cb 1.17 0.12 -0.19 0.00 0.21 0.00 0.00 27.48 28.78 1gnk h GLN 97 CO 0.60 -0.35 -0.73 1.03 -1.93 0.00 0.00 178.83 177.44 1gnk s ARG 98 N -3.39 0.69 -0.04 1.69 3.00 -1.26 -4.77 118.95 114.87 1gnk s ARG 98 Ca -0.08 -0.97 -0.02 0.00 0.00 0.00 0.00 55.73 54.66 1gnk s ARG 98 Cb 0.01 -0.42 0.03 0.00 0.00 0.00 0.00 34.95 34.57 1gnk s ARG 98 CO 0.24 0.07 0.06 0.08 0.00 0.00 0.00 175.30 175.75 1gnk s VAL 99 N -1.96 -0.11 -0.14 3.52 1.01 -1.26 -4.98 120.40 116.48 1gnk s VAL 99 Ca -0.02 0.38 0.02 0.00 0.00 0.00 0.00 61.98 62.36 1gnk s VAL 99 Cb -0.06 -0.15 0.02 0.00 0.00 0.00 0.00 36.38 36.18 1gnk s VAL 99 CO -0.00 0.16 -0.18 -0.63 0.00 0.00 0.00 175.10 174.44 1gnk s ILE 100 N 1.96 1.80 -0.38 2.22 1.09 -1.26 -0.58 121.20 126.05 1gnk s ILE 100 Ca 0.02 -0.81 -0.27 0.00 -1.10 0.00 0.00 60.65 58.50 1gnk s ILE 100 Cb -0.12 -1.63 0.02 0.00 -1.06 0.00 0.00 42.46 39.67 1gnk s ILE 100 CO -0.03 0.50 0.97 -0.60 -0.10 0.00 0.00 174.94 175.67 1gnk s ARG 101 N 1.07 3.84 0.23 2.79 3.52 -0.87 -4.93 118.95 124.60 1gnk s ARG 101 Ca -0.03 0.61 -0.06 0.00 -0.13 0.00 0.00 55.73 56.13 1gnk s ARG 101 Cb -0.14 -3.81 0.40 0.00 -1.56 0.00 0.00 34.95 29.83 1gnk s ARG 101 CO -0.05 -1.00 1.75 0.82 -0.81 0.00 0.00 175.30 176.00 1gnk h ILE 102 N 5.87 0.74 -0.68 4.11 2.04 -1.96 0.14 117.51 127.77 1gnk h ILE 102 Ca -0.23 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.38 1gnk h ILE 102 Cb 1.07 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1gnk h ILE 102 CO 1.01 0.09 0.11 -0.09 0.00 0.00 0.00 178.15 179.27 1gnk h ARG 103 N 0.51 1.12 0.00 2.37 2.43 -1.99 -3.34 114.38 115.48 1gnk h ARG 103 Ca 0.38 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1gnk h ARG 103 Cb 0.51 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1gnk h ARG 103 CO -0.34 1.02 -0.72 0.25 -1.51 0.00 0.00 179.97 178.67 1gnk n THR 104 N -4.21 0.00 -0.94 0.20 -2.24 -1.17 -4.98 114.28 100.93 1gnk n THR 104 Ca 0.05 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1gnk n THR 104 Cb 0.29 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.39 0.72 3.67 3.38 0.00 0.48 -4.99 105.19 109.84 1gnk n GLY 105 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1gnk n GLY 105 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gnk n GLU 106 N -2.11 -0.49 -4.13 1.61 1.02 -1.25 -4.75 120.64 110.55 1gnk n GLU 106 Ca 0.00 -0.08 -0.15 0.00 -0.02 0.00 0.00 57.16 56.91 1gnk n GLU 106 Cb 0.02 -2.38 -0.12 0.00 -0.02 0.00 0.00 31.44 28.94 1gnk n GLU 106 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gnk s ALA 107 N -2.64 0.68 0.00 0.62 0.00 -1.26 -2.06 121.76 117.10 1gnk s ALA 107 Ca 0.67 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1gnk s ALA 107 Cb -0.23 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1gnk s ALA 107 CO 0.58 0.05 0.00 -0.25 0.00 0.00 0.00 175.76 176.14 1gnk n ASP 108 N 1.79 0.00 -0.28 0.00 8.00 0.25 -2.20 116.55 124.11 1gnk n ASP 108 Ca -0.20 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.35 1gnk n ASP 108 Cb 0.55 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.81 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 0.04 0.00 -1.24 3.07 -1.97 0.13 114.58 114.62 1gnk h GLU 109 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1gnk h GLU 109 Cb 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1gnk h GLU 109 CO 0.00 0.03 0.00 0.00 -1.40 0.00 0.00 179.01 177.64 1gnk h ALA 110 N 1.79 1.00 -0.00 3.43 0.00 -1.83 -2.93 119.26 120.72 1gnk h ALA 110 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1gnk h ALA 110 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1gnk h ALA 110 CO -0.78 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 178.43 1gnk n ALA 111 N -1.97 2.68 1.79 0.00 0.00 0.46 -4.75 120.51 118.72 1gnk n ALA 111 Ca 0.01 -0.27 0.15 0.00 0.00 0.00 0.00 53.44 53.33 1gnk n ALA 111 Cb 0.26 -1.37 0.77 0.00 0.00 0.00 0.00 19.45 19.11 1gnk n ALA 111 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78