#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g2k s GLN 2 N 0.00 3.18 -0.20 0.54 0.74 -1.26 -5.11 119.66 117.56 1g2k s GLN 2 Ca 0.00 -0.76 -0.05 0.00 0.05 0.00 0.00 55.36 54.60 1g2k s GLN 2 Cb 0.00 -2.63 -0.02 0.00 1.10 0.00 0.00 33.01 31.46 1g2k s GLN 2 CO 0.00 -0.02 0.00 0.42 -0.55 0.00 0.00 175.29 175.14 1g2k s ILE 3 N 0.91 3.96 0.61 -2.34 1.01 -1.26 -5.11 121.20 118.98 1g2k s ILE 3 Ca -0.04 -0.31 -0.06 0.00 0.00 0.00 0.00 60.65 60.24 1g2k s ILE 3 Cb -0.15 -2.79 0.02 0.00 0.01 0.00 0.00 42.46 39.54 1g2k s ILE 3 CO -0.02 0.43 0.92 0.42 0.00 0.00 0.00 174.94 176.69 1g2k s THR 4 N 1.02 3.44 -0.23 2.92 -4.23 -1.26 -5.03 115.64 112.27 1g2k s THR 4 Ca 0.02 -0.03 0.13 0.00 -1.18 0.00 0.00 61.69 60.63 1g2k s THR 4 Cb -0.14 -3.38 0.52 0.00 1.34 0.00 0.00 72.50 70.83 1g2k s THR 4 CO 0.02 -0.40 1.45 0.18 -0.54 0.00 0.00 174.62 175.33 1g2k n LEU 5 N -2.64 4.03 0.26 4.79 4.77 -1.26 -4.55 117.00 122.40 1g2k n LEU 5 Ca 0.05 -3.32 0.15 0.00 -0.03 0.00 0.00 56.01 52.85 1g2k n LEU 5 Cb 0.58 -0.59 0.62 0.00 -2.33 0.00 0.00 43.42 41.71 1g2k n LEU 5 CO 0.53 0.90 0.93 -0.50 -1.33 0.00 0.00 177.39 177.92 1g2k h TRP 6 N 1.42 0.00 -3.41 -1.77 4.06 -2.06 -3.43 115.95 110.75 1g2k h TRP 6 Ca 0.11 0.00 -0.38 0.00 2.06 0.00 0.00 58.89 60.68 1g2k h TRP 6 Cb 1.56 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.58 1g2k h TRP 6 CO 0.72 0.09 -0.64 1.14 -3.56 0.00 0.00 178.44 176.19 1g2k s GLN 7 N -3.72 1.39 0.33 0.49 -2.07 -1.26 -5.11 119.66 109.71 1g2k s GLN 7 Ca 0.00 -1.73 -0.29 0.00 -1.82 0.00 0.00 55.36 51.52 1g2k s GLN 7 Cb 0.10 -0.52 -0.11 0.00 -1.09 0.00 0.00 33.01 31.38 1g2k s GLN 7 CO 0.58 -0.17 1.56 1.03 -1.32 0.00 0.00 175.29 176.96 1g2k s ARG 8 N -3.92 4.10 -1.43 9.60 0.52 -1.26 -4.85 118.95 121.70 1g2k s ARG 8 Ca 0.32 2.60 -0.15 0.00 -0.52 0.00 0.00 55.73 57.99 1g2k s ARG 8 Cb 0.07 -2.99 0.04 0.00 0.52 0.00 0.00 34.95 32.59 1g2k s ARG 8 CO 0.11 -0.61 2.18 -0.35 0.02 0.00 0.00 175.30 176.65 1g2k n PRO 9 N 1.38 2.85 -3.29 3.54 -0.04 -1.26 -4.93 135.00 133.26 1g2k n PRO 9 Ca 0.05 -2.65 -0.38 0.00 -0.04 0.00 0.00 63.50 60.48 1g2k n PRO 9 Cb 0.38 -3.30 -0.06 0.00 -0.04 0.00 0.00 33.50 30.48 1g2k n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1g2k s LEU 10 N 2.38 4.44 0.15 1.53 1.43 -1.26 -1.20 118.68 126.15 1g2k s LEU 10 Ca 0.48 1.11 0.02 0.00 -1.03 0.00 0.00 54.13 54.71 1g2k s LEU 10 Cb 0.13 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 1g2k s LEU 10 CO -0.07 0.17 -0.01 0.68 0.23 0.00 0.00 176.35 177.35 1g2k s VAL 11 N -0.48 0.63 -0.12 -1.59 -7.23 0.38 -4.95 120.40 107.05 1g2k s VAL 11 Ca 0.29 -1.96 -0.15 0.00 -1.81 0.00 0.00 61.98 58.34 1g2k s VAL 11 Cb -0.18 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 1g2k s VAL 11 CO 0.16 -0.56 0.36 -0.89 -0.31 0.00 0.00 175.10 173.86 1g2k s THR 12 N -3.68 5.23 0.24 5.32 2.01 -1.26 -0.77 115.64 122.72 1g2k s THR 12 Ca 0.21 0.71 0.11 0.00 0.31 0.00 0.00 61.69 63.04 1g2k s THR 12 Cb 0.06 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 1g2k s THR 12 CO 0.02 0.42 -0.21 0.27 -0.69 0.00 0.00 174.62 174.43 1g2k s ILE 13 N 0.16 2.36 -0.12 1.82 -4.36 0.54 -2.97 121.20 118.62 1g2k s ILE 13 Ca 0.21 -2.25 0.02 0.00 -0.26 0.00 0.00 60.65 58.36 1g2k s ILE 13 Cb -0.14 -2.21 0.01 0.00 1.25 0.00 0.00 42.46 41.37 1g2k s ILE 13 CO 0.08 -0.32 -0.19 -0.75 0.24 0.00 0.00 174.94 174.00 1g2k s LYS 14 N -3.22 2.62 -0.14 0.37 2.20 0.04 -1.15 119.74 120.47 1g2k s LYS 14 Ca 0.26 -0.71 -0.08 0.00 -0.36 0.00 0.00 55.97 55.08 1g2k s LYS 14 Cb -0.06 -2.16 0.05 0.00 -1.51 0.00 0.00 37.83 34.15 1g2k s LYS 14 CO 0.12 -0.03 0.34 -1.50 -0.36 0.00 0.00 175.35 173.92 1g2k s ILE 15 N 0.89 -0.03 -1.48 5.43 2.07 -0.26 -1.19 121.20 126.64 1g2k s ILE 15 Ca -0.07 0.10 -0.03 0.00 -1.41 0.00 0.00 60.65 59.24 1g2k s ILE 15 Cb -0.15 -0.51 0.00 0.00 0.13 0.00 0.00 42.46 41.93 1g2k s ILE 15 CO -0.02 0.04 0.46 0.61 -1.91 0.00 0.00 174.94 174.12 1g2k n GLY 16 N 4.07 -0.42 2.89 1.50 0.00 -1.26 -1.60 105.19 110.36 1g2k n GLY 16 Ca -0.23 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1g2k n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g2k n GLY 17 N -1.39 0.42 3.51 -0.02 0.00 -1.26 -5.00 105.19 101.46 1g2k n GLY 17 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 1g2k n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g2k s GLN 18 N -0.65 1.96 -0.07 1.61 -0.21 -0.63 -5.12 119.66 116.55 1g2k s GLN 18 Ca 0.00 -1.08 -0.13 0.00 0.02 0.00 0.00 55.36 54.17 1g2k s GLN 18 Cb 0.00 -2.19 -0.05 0.00 1.00 0.00 0.00 33.01 31.77 1g2k s GLN 18 CO 0.00 0.50 0.33 -0.51 -2.12 0.00 0.00 175.29 173.49 1g2k s LEU 19 N -1.97 4.39 0.07 2.90 1.43 -1.26 -1.10 118.68 123.14 1g2k s LEU 19 Ca 0.18 0.74 -0.04 0.00 -1.03 0.00 0.00 54.13 53.98 1g2k s LEU 19 Cb -0.11 -2.44 -0.02 0.00 0.03 0.00 0.00 46.19 43.65 1g2k s LEU 19 CO 0.10 0.26 0.08 -0.54 0.23 0.00 0.00 176.35 176.48 1g2k s LYS 20 N -0.56 0.74 -0.11 1.70 1.02 -0.30 -4.98 119.74 117.25 1g2k s LYS 20 Ca 0.20 -1.13 -0.08 0.00 0.02 0.00 0.00 55.97 54.98 1g2k s LYS 20 Cb -0.15 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.39 1g2k s LYS 20 CO 0.09 -0.19 0.18 -1.21 -0.92 0.00 0.00 175.35 173.29 1g2k s GLU 21 N -3.91 3.59 0.03 1.68 2.02 -1.26 -0.34 118.70 120.52 1g2k s GLU 21 Ca 0.08 -0.07 -0.03 0.00 0.02 0.00 0.00 54.97 54.97 1g2k s GLU 21 Cb 0.07 -3.22 -0.02 0.00 0.10 0.00 0.00 34.13 31.05 1g2k s GLU 21 CO -0.09 0.71 0.02 0.00 0.02 0.00 0.00 175.26 175.92 1g2k s ALA 22 N -0.85 0.14 -0.20 5.21 0.00 0.05 -4.48 121.76 121.62 1g2k s ALA 22 Ca 0.15 -0.72 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 1g2k s ALA 22 Cb -0.12 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 1g2k s ALA 22 CO 0.05 -0.28 0.22 -1.17 0.00 0.00 0.00 175.76 174.58 1g2k s LEU 23 N -2.09 4.18 -0.51 0.00 2.96 -0.00 -0.47 118.68 122.75 1g2k s LEU 23 Ca -0.06 0.31 -0.28 0.00 -0.22 0.00 0.00 54.13 53.88 1g2k s LEU 23 Cb -0.02 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.46 1g2k s LEU 23 CO -0.05 0.09 1.27 -0.76 -1.32 0.00 0.00 176.35 175.58 1g2k s LEU 24 N 0.73 3.52 -0.39 -0.68 1.43 -0.34 -0.94 118.68 122.01 1g2k s LEU 24 Ca 0.12 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 1g2k s LEU 24 Cb -0.13 -3.34 0.11 0.00 0.03 0.00 0.00 46.19 42.86 1g2k s LEU 24 CO 0.03 -1.45 0.13 -0.62 0.23 0.00 0.00 176.35 174.66 1g2k s ASP 25 N 3.34 4.88 0.30 2.29 -1.08 -0.50 -4.80 116.67 121.09 1g2k s ASP 25 Ca 0.51 -2.24 0.25 0.00 -0.52 0.00 0.00 52.55 50.55 1g2k s ASP 25 Cb -0.09 -1.69 1.04 0.00 -1.46 0.00 0.00 42.92 40.71 1g2k s ASP 25 CO 0.29 -0.41 1.75 0.71 0.52 0.00 0.00 175.17 178.03 1g2k h THR 26 N 6.38 0.00 0.00 1.71 1.35 -1.93 -2.67 112.91 117.75 1g2k h THR 26 Ca -0.07 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1g2k h THR 26 Cb 1.01 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1g2k h THR 26 CO 0.59 0.00 -0.08 1.23 -0.25 0.00 0.00 175.52 177.01 1g2k h GLY 27 N 2.24 0.00 -5.73 5.82 0.00 -1.94 -3.46 103.07 100.01 1g2k h GLY 27 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1g2k h GLY 27 CO 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 176.54 176.23 1g2k s ALA 28 N -3.12 3.63 0.14 3.60 0.00 -1.01 -4.98 121.76 120.02 1g2k s ALA 28 Ca 0.10 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.62 1g2k s ALA 28 Cb 0.12 -2.37 -0.07 0.00 0.00 0.00 0.00 23.12 20.80 1g2k s ALA 28 CO 0.62 0.19 1.32 -0.44 0.00 0.00 0.00 175.76 177.45 1g2k h ASP 29 N 6.23 0.44 -1.47 0.00 3.32 -1.87 -0.64 116.42 122.42 1g2k h ASP 29 Ca -0.44 -0.36 -0.64 0.00 0.02 0.00 0.00 57.03 55.62 1g2k h ASP 29 Cb 1.18 -0.14 -0.13 0.00 0.22 0.00 0.00 39.33 40.46 1g2k h ASP 29 CO 0.72 1.16 -0.59 -1.81 -1.72 0.00 0.00 179.24 177.00 1g2k s ASP 30 N -7.03 3.90 -0.24 6.45 1.01 -1.26 -2.44 116.67 117.05 1g2k s ASP 30 Ca -0.05 -1.42 -0.11 0.00 0.71 0.00 0.00 52.55 51.69 1g2k s ASP 30 Cb 0.09 -0.24 -0.05 0.00 1.01 0.00 0.00 42.92 43.73 1g2k s ASP 30 CO 0.85 -0.52 0.18 -0.89 0.21 0.00 0.00 175.17 175.00 1g2k s THR 31 N -2.75 5.35 -0.09 -1.27 2.01 -1.26 -3.19 115.64 114.45 1g2k s THR 31 Ca 0.30 0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.53 1g2k s THR 31 Cb 0.09 -3.52 0.01 0.00 0.01 0.00 0.00 72.50 69.09 1g2k s THR 31 CO 0.16 0.33 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.60 1g2k s VAL 32 N 1.13 1.28 0.27 3.82 1.01 -0.31 -0.62 120.40 126.98 1g2k s VAL 32 Ca 0.08 -0.54 0.12 0.00 0.00 0.00 0.00 61.98 61.64 1g2k s VAL 32 Cb -0.14 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 1g2k s VAL 32 CO 0.05 0.39 -0.19 -0.76 0.00 0.00 0.00 175.10 174.59 1g2k s LEU 33 N 0.87 2.61 0.74 3.92 1.43 0.11 -0.42 118.68 127.94 1g2k s LEU 33 Ca -0.10 -1.00 -0.14 0.00 -1.03 0.00 0.00 54.13 51.86 1g2k s LEU 33 Cb -0.15 -1.14 0.04 0.00 0.03 0.00 0.00 46.19 44.97 1g2k s LEU 33 CO 0.01 0.04 1.19 -1.61 0.23 0.00 0.00 176.35 176.21 1g2k s GLU 34 N -3.46 2.12 -0.03 1.70 2.02 -1.26 -1.89 118.70 117.90 1g2k s GLU 34 Ca 0.29 1.67 -0.40 0.00 0.02 0.00 0.00 54.97 56.56 1g2k s GLU 34 Cb -0.05 -1.84 -0.19 0.00 0.10 0.00 0.00 34.13 32.15 1g2k s GLU 34 CO 0.15 -1.83 1.21 -1.91 0.02 0.00 0.00 175.26 172.90 1g2k n GLU 35 N -2.85 0.34 -3.79 1.61 4.07 -1.25 -4.69 120.64 114.08 1g2k n GLU 35 Ca 0.13 0.12 -0.04 0.00 -0.06 0.00 0.00 57.16 57.31 1g2k n GLU 35 Cb 0.51 -1.67 -0.00 0.00 -0.06 0.00 0.00 31.44 30.21 1g2k n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1g2k s MET 36 N 0.52 1.35 -0.21 5.31 0.23 -1.26 -5.06 119.30 120.19 1g2k s MET 36 Ca 0.91 -0.79 -0.09 0.00 -1.03 0.00 0.00 55.69 54.69 1g2k s MET 36 Cb -1.20 0.44 -0.05 0.00 -1.53 0.00 0.00 34.83 32.49 1g2k s MET 36 CO 0.57 -0.62 0.12 0.45 -2.03 0.00 0.00 175.02 173.50 1g2k s SER 37 N -3.04 5.95 0.10 -1.18 0.15 -1.26 -5.08 113.70 109.34 1g2k s SER 37 Ca 0.14 0.12 0.07 0.00 0.70 0.00 0.00 55.95 56.98 1g2k s SER 37 Cb -0.02 -2.05 -0.03 0.00 -1.71 0.00 0.00 66.02 62.20 1g2k s SER 37 CO 0.04 0.13 -0.18 -0.76 1.20 0.00 0.00 173.24 173.67 1g2k s LEU 38 N 0.66 2.32 0.64 3.45 1.43 -1.26 -5.01 118.68 120.91 1g2k s LEU 38 Ca 0.06 -0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 52.34 1g2k s LEU 38 Cb -0.12 -0.72 -0.02 0.00 0.03 0.00 0.00 46.19 45.36 1g2k s LEU 38 CO 0.01 -0.02 1.04 -2.16 0.23 0.00 0.00 176.35 175.45 1g2k s PRO 39 N -2.06 3.34 0.32 1.29 0.04 -1.26 -4.96 135.00 131.72 1g2k s PRO 39 Ca 0.05 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1g2k s PRO 39 Cb -0.09 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1g2k s PRO 39 CO 0.04 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.71 1g2k n GLY 40 N -2.18 -2.49 3.90 0.56 0.00 -1.26 -4.95 105.19 98.77 1g2k n GLY 40 Ca 0.07 -1.72 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 1g2k n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g2k s ARG 41 N -0.47 3.62 0.25 1.61 0.52 -1.26 -5.10 118.95 118.12 1g2k s ARG 41 Ca 0.00 0.20 0.08 0.00 -0.52 0.00 0.00 55.73 55.50 1g2k s ARG 41 Cb 0.00 -2.44 -0.05 0.00 0.52 0.00 0.00 34.95 32.98 1g2k s ARG 41 CO 0.00 -0.07 -0.13 1.67 0.02 0.00 0.00 175.30 176.80 1g2k s TRP 42 N -2.50 1.92 0.16 -0.53 1.48 -1.26 -4.69 118.94 113.52 1g2k s TRP 42 Ca 0.47 -0.56 0.09 0.00 -1.06 0.00 0.00 56.10 55.04 1g2k s TRP 42 Cb -0.10 -0.95 -0.04 0.00 -1.16 0.00 0.00 33.47 31.21 1g2k s TRP 42 CO 0.38 0.41 -0.20 0.15 -4.06 0.00 0.00 176.95 173.64 1g2k s LYS 43 N -3.64 1.30 0.33 3.25 1.02 -0.60 -4.90 119.74 116.50 1g2k s LYS 43 Ca 0.26 -1.40 -0.25 0.00 0.02 0.00 0.00 55.97 54.61 1g2k s LYS 43 Cb 0.00 -1.43 -0.10 0.00 -0.52 0.00 0.00 37.83 35.78 1g2k s LYS 43 CO 0.10 0.30 0.93 -1.25 -0.92 0.00 0.00 175.35 174.51 1g2k s PRO 44 N -2.67 4.50 -0.05 -1.68 0.04 -1.26 -0.13 135.00 133.74 1g2k s PRO 44 Ca 0.15 1.26 -0.18 0.00 0.04 0.00 0.00 61.00 62.27 1g2k s PRO 44 Cb -0.07 -2.70 0.04 0.00 0.04 0.00 0.00 34.50 31.81 1g2k s PRO 44 CO 0.07 0.23 0.41 0.21 0.04 0.00 0.00 177.00 177.96 1g2k s LYS 45 N -2.25 0.71 -0.15 4.56 2.20 -1.03 -4.87 119.74 118.91 1g2k s LYS 45 Ca 0.52 0.06 -0.01 0.00 -0.36 0.00 0.00 55.97 56.18 1g2k s LYS 45 Cb -0.17 0.33 -0.01 0.00 -1.51 0.00 0.00 37.83 36.46 1g2k s LYS 45 CO 0.22 -0.19 -0.12 -1.64 -0.36 0.00 0.00 175.35 173.26 1g2k s MET 46 N -0.97 3.38 0.04 4.03 -1.94 -1.26 -1.23 119.30 121.35 1g2k s MET 46 Ca -0.10 -0.67 0.06 0.00 -1.71 0.00 0.00 55.69 53.26 1g2k s MET 46 Cb -0.04 -2.70 -0.02 0.00 2.01 0.00 0.00 34.83 34.08 1g2k s MET 46 CO 0.05 0.14 -0.17 0.96 -0.01 0.00 0.00 175.02 175.99 1g2k s ILE 47 N 0.55 1.32 0.11 2.53 -4.36 -0.95 -4.97 121.20 115.43 1g2k s ILE 47 Ca -0.08 -1.06 0.09 0.00 -0.26 0.00 0.00 60.65 59.35 1g2k s ILE 47 Cb -0.15 -1.17 -0.04 0.00 1.25 0.00 0.00 42.46 42.34 1g2k s ILE 47 CO 0.04 0.10 -0.18 -0.83 0.24 0.00 0.00 174.94 174.30 1g2k s GLY 48 N -1.11 1.68 0.00 6.27 0.00 -1.26 -1.47 107.32 111.43 1g2k s GLY 48 Ca 0.04 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.43 1g2k s GLY 48 CO 0.01 -1.30 0.00 0.61 0.00 0.00 0.00 173.10 172.42 1g2k n GLY 49 N 0.88 4.91 0.22 0.20 0.00 0.27 -4.99 105.19 106.69 1g2k n GLY 49 Ca -0.16 -1.93 0.06 0.00 0.00 0.00 0.00 46.02 43.99 1g2k n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1g2k h ILE 50 N 0.70 1.10 0.00 -0.61 2.04 -2.04 -2.97 117.51 115.74 1g2k h ILE 50 Ca 0.00 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 1g2k h ILE 50 Cb 0.00 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1g2k h ILE 50 CO 0.00 0.19 -0.44 1.23 0.00 0.00 0.00 178.15 179.13 1g2k h GLY 51 N 0.61 0.00 0.00 5.37 0.00 -2.02 -3.50 103.07 103.53 1g2k h GLY 51 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1g2k h GLY 51 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1g2k n GLY 52 N 1.16 0.36 3.70 4.60 0.00 -1.12 -5.13 105.19 108.76 1g2k n GLY 52 Ca 0.02 -1.45 -0.24 0.00 0.00 0.00 0.00 46.02 44.34 1g2k n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1g2k s PHE 53 N -3.47 2.88 0.10 1.61 0.40 -1.26 -0.56 117.98 117.67 1g2k s PHE 53 Ca 0.00 -0.15 0.01 0.00 -0.60 0.00 0.00 56.93 56.19 1g2k s PHE 53 Cb 0.00 -1.33 -0.04 0.00 0.51 0.00 0.00 43.02 42.15 1g2k s PHE 53 CO 0.00 0.55 -0.05 0.96 0.70 0.00 0.00 175.22 177.38 1g2k s ILE 54 N -2.01 0.62 -0.17 0.64 -4.36 -0.54 -4.98 121.20 110.39 1g2k s ILE 54 Ca 0.30 -1.92 -0.08 0.00 -0.26 0.00 0.00 60.65 58.69 1g2k s ILE 54 Cb -0.08 -1.70 -0.05 0.00 1.25 0.00 0.00 42.46 41.89 1g2k s ILE 54 CO 0.21 -0.86 0.12 -0.54 0.24 0.00 0.00 174.94 174.11 1g2k s LYS 55 N -3.86 3.91 0.25 0.37 1.02 -1.26 -2.25 119.74 117.92 1g2k s LYS 55 Ca 0.12 -0.23 0.03 0.00 0.02 0.00 0.00 55.97 55.92 1g2k s LYS 55 Cb 0.06 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 34.02 1g2k s LYS 55 CO -0.05 0.44 0.03 0.14 -0.92 0.00 0.00 175.35 174.99 1g2k s VAL 56 N -0.06 0.94 -0.18 3.17 -7.23 -0.37 -4.65 120.40 112.03 1g2k s VAL 56 Ca 0.09 -2.02 -0.09 0.00 -1.81 0.00 0.00 61.98 58.16 1g2k s VAL 56 Cb -0.12 -2.48 -0.05 0.00 0.56 0.00 0.00 36.38 34.30 1g2k s VAL 56 CO 0.00 -0.20 0.11 -0.13 -0.31 0.00 0.00 175.10 174.57 1g2k s ARG 57 N -3.91 3.99 -0.25 4.82 0.52 0.20 -2.48 118.95 121.84 1g2k s ARG 57 Ca 0.32 -0.24 -0.09 0.00 -0.52 0.00 0.00 55.73 55.20 1g2k s ARG 57 Cb 0.07 -3.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 1g2k s ARG 57 CO 0.11 0.38 0.12 -1.14 0.02 0.00 0.00 175.30 174.78 1g2k s GLN 58 N 0.11 3.81 -0.09 3.54 0.74 0.81 -0.51 119.66 128.07 1g2k s GLN 58 Ca 0.08 -0.40 0.02 0.00 0.05 0.00 0.00 55.36 55.11 1g2k s GLN 58 Cb -0.11 -3.45 -0.02 0.00 1.10 0.00 0.00 33.01 30.53 1g2k s GLN 58 CO -0.00 -0.13 -0.14 0.71 -0.55 0.00 0.00 175.29 175.17 1g2k s TYR 59 N 1.54 2.76 0.27 1.67 1.51 0.19 -1.56 117.35 123.72 1g2k s TYR 59 Ca 0.06 -0.39 0.07 0.00 -1.01 0.00 0.00 57.07 55.79 1g2k s TYR 59 Cb -0.15 -1.73 -0.03 0.00 -0.11 0.00 0.00 41.96 39.93 1g2k s TYR 59 CO 0.06 -0.01 0.27 -0.51 -1.11 0.00 0.00 175.55 174.25 1g2k s ASP 60 N -0.20 5.71 -1.36 2.29 1.01 -1.26 -0.64 116.67 122.21 1g2k s ASP 60 Ca 0.00 -0.20 -0.04 0.00 0.71 0.00 0.00 52.55 53.02 1g2k s ASP 60 Cb -0.13 -1.44 0.00 0.00 1.01 0.00 0.00 42.92 42.35 1g2k s ASP 60 CO 0.03 -0.11 0.48 0.00 0.21 0.00 0.00 175.17 175.78 1g2k n GLN 61 N -1.29 -2.86 -3.70 8.23 6.02 -1.15 -4.91 117.38 117.72 1g2k n GLN 61 Ca -0.07 0.40 -0.36 0.00 -0.01 0.00 0.00 57.00 56.96 1g2k n GLN 61 Cb 0.58 -4.39 -0.07 0.00 1.02 0.00 0.00 30.24 27.38 1g2k n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1g2k s ILE 62 N -3.88 5.36 -0.13 5.09 -1.09 -0.14 -4.78 121.20 121.64 1g2k s ILE 62 Ca 0.09 0.38 -0.26 0.00 -2.23 0.00 0.00 60.65 58.63 1g2k s ILE 62 Cb -0.03 -3.52 -0.02 0.00 -1.58 0.00 0.00 42.46 37.30 1g2k s ILE 62 CO 0.89 0.50 0.85 -0.22 -1.23 0.00 0.00 174.94 175.73 1g2k s LEU 63 N -0.24 4.23 -0.02 2.97 2.96 -1.26 -1.65 118.68 125.66 1g2k s LEU 63 Ca 0.15 1.28 0.00 0.00 -0.22 0.00 0.00 54.13 55.33 1g2k s LEU 63 Cb -0.13 -3.29 0.02 0.00 0.50 0.00 0.00 46.19 43.30 1g2k s LEU 63 CO 0.03 -0.35 0.01 -0.51 -1.32 0.00 0.00 176.35 174.22 1g2k s ILE 64 N 1.81 0.03 -0.24 6.68 2.07 0.13 -4.56 121.20 127.13 1g2k s ILE 64 Ca 0.41 0.13 -0.09 0.00 -1.41 0.00 0.00 60.65 59.69 1g2k s ILE 64 Cb -0.17 -0.13 -0.04 0.00 0.13 0.00 0.00 42.46 42.24 1g2k s ILE 64 CO 0.16 0.09 0.12 -0.70 -1.91 0.00 0.00 174.94 172.70 1g2k s GLU 65 N 0.85 3.91 -0.25 3.50 2.12 -0.34 -0.57 118.70 127.92 1g2k s GLU 65 Ca -0.08 -0.36 0.01 0.00 0.36 0.00 0.00 54.97 54.91 1g2k s GLU 65 Cb -0.11 -3.43 0.05 0.00 0.26 0.00 0.00 34.13 30.90 1g2k s GLU 65 CO -0.02 -0.02 -0.10 0.42 -0.54 0.00 0.00 175.26 175.00 1g2k s ILE 66 N 1.22 2.36 -1.48 -3.70 1.01 0.12 -0.78 121.20 119.95 1g2k s ILE 66 Ca 0.06 -1.43 -0.11 0.00 0.00 0.00 0.00 60.65 59.17 1g2k s ILE 66 Cb -0.14 -2.31 0.06 0.00 0.01 0.00 0.00 42.46 40.08 1g2k s ILE 66 CO 0.05 0.07 0.88 0.00 0.00 0.00 0.00 174.94 175.94 1g2k n GLY 68 N -1.63 2.89 3.69 0.00 0.00 -1.26 -5.00 105.19 103.87 1g2k n GLY 68 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1g2k n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g2k s HIS 69 N -1.90 3.50 0.02 1.61 4.02 0.20 -5.03 115.29 117.72 1g2k s HIS 69 Ca 0.00 1.30 -0.25 0.00 1.02 0.00 0.00 55.06 57.13 1g2k s HIS 69 Cb 0.00 -2.95 -0.05 0.00 -1.02 0.00 0.00 32.58 28.56 1g2k s HIS 69 CO 0.00 -0.09 0.77 0.15 1.02 0.00 0.00 174.74 176.59 1g2k s LYS 70 N 1.52 4.49 0.08 1.40 1.02 -1.26 0.15 119.74 127.14 1g2k s LYS 70 Ca 0.39 1.06 0.03 0.00 0.02 0.00 0.00 55.97 57.47 1g2k s LYS 70 Cb -0.17 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.71 1g2k s LYS 70 CO 0.16 0.22 -0.08 0.00 -0.92 0.00 0.00 175.35 174.73 1g2k s ALA 71 N 0.18 0.90 -0.14 5.17 0.00 0.27 -4.95 121.76 123.19 1g2k s ALA 71 Ca 0.39 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 1g2k s ALA 71 Cb -0.20 0.08 0.05 0.00 0.00 0.00 0.00 23.12 23.05 1g2k s ALA 71 CO 0.22 -0.10 0.05 0.42 0.00 0.00 0.00 175.76 176.35 1g2k s ILE 72 N -2.53 0.20 0.00 0.00 1.01 -1.26 -0.69 121.20 117.94 1g2k s ILE 72 Ca 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.52 1g2k s ILE 72 Cb -0.02 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.79 1g2k s ILE 72 CO -0.02 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.45 1g2k n GLY 73 N 5.18 2.00 3.72 6.18 0.00 -0.66 -4.81 105.19 116.79 1g2k n GLY 73 Ca -0.07 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1g2k n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g2k s THR 74 N -2.75 4.78 -0.04 2.61 2.01 -1.26 -0.97 115.64 120.02 1g2k s THR 74 Ca 0.00 2.00 0.05 0.00 0.31 0.00 0.00 61.69 64.06 1g2k s THR 74 Cb 0.00 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.21 1g2k s THR 74 CO 0.00 0.21 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.26 1g2k s VAL 75 N 0.69 1.57 -0.08 3.82 1.01 0.18 -4.50 120.40 123.10 1g2k s VAL 75 Ca 0.49 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1g2k s VAL 75 Cb -0.21 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.80 1g2k s VAL 75 CO 0.28 0.45 -0.03 -0.76 0.00 0.00 0.00 175.10 175.03 1g2k s LEU 76 N -0.14 3.40 -0.11 3.92 1.43 0.20 -0.63 118.68 126.75 1g2k s LEU 76 Ca -0.00 0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1g2k s LEU 76 Cb -0.11 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.35 1g2k s LEU 76 CO 0.02 0.36 -0.23 -0.69 0.23 0.00 0.00 176.35 176.04 1g2k s VAL 77 N -0.79 2.00 -0.00 -1.59 1.01 0.34 0.07 120.40 121.44 1g2k s VAL 77 Ca 0.12 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 1g2k s VAL 77 Cb -0.11 -1.75 0.03 0.00 0.00 0.00 0.00 36.38 34.54 1g2k s VAL 77 CO 0.02 0.54 0.36 0.61 0.00 0.00 0.00 175.10 176.64 1g2k n GLY 78 N 3.73 0.55 2.68 4.51 0.00 -0.79 -0.62 105.19 115.25 1g2k n GLY 78 Ca -0.19 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 1g2k n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1g2k n PRO 79 N -0.26 2.17 -3.39 1.61 -0.04 -1.26 -3.88 135.00 129.95 1g2k n PRO 79 Ca 0.01 -1.66 -0.35 0.00 -0.04 0.00 0.00 63.50 61.47 1g2k n PRO 79 Cb 0.17 -2.61 -0.06 0.00 -0.04 0.00 0.00 33.50 30.96 1g2k n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1g2k s THR 80 N 3.59 4.89 0.42 0.52 -1.32 -1.26 -4.99 115.64 117.49 1g2k s THR 80 Ca 0.46 0.74 0.09 0.00 -1.21 0.00 0.00 61.69 61.78 1g2k s THR 80 Cb 0.12 -3.71 0.24 0.00 -1.51 0.00 0.00 72.50 67.64 1g2k s THR 80 CO -0.01 0.20 2.05 -0.65 -2.21 0.00 0.00 174.62 174.00 1g2k h PRO 81 N 3.42 0.39 -3.27 7.08 0.11 -1.98 -3.45 132.00 134.30 1g2k h PRO 81 Ca -0.48 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 1g2k h PRO 81 Cb 1.19 -0.08 -0.14 0.00 0.11 0.00 0.00 31.00 32.08 1g2k h PRO 81 CO 0.66 0.30 -0.06 0.14 -0.21 0.00 0.00 178.00 178.84 1g2k s VAL 82 N -5.27 0.06 0.03 3.15 -7.23 -1.26 -5.12 120.40 104.76 1g2k s VAL 82 Ca -0.07 -0.50 -0.30 0.00 -1.81 0.00 0.00 61.98 59.29 1g2k s VAL 82 Cb 0.17 -1.11 -0.07 0.00 0.56 0.00 0.00 36.38 35.93 1g2k s VAL 82 CO 0.72 -0.28 1.52 0.20 -0.31 0.00 0.00 175.10 176.95 1g2k s ASN 83 N -2.60 6.73 -0.15 4.85 0.01 -1.26 -4.79 114.94 117.73 1g2k s ASN 83 Ca 0.01 2.29 0.02 0.00 -0.71 0.00 0.00 52.86 54.46 1g2k s ASN 83 Cb 0.01 -2.56 0.01 0.00 0.41 0.00 0.00 41.25 39.12 1g2k s ASN 83 CO -0.10 -0.80 -0.19 -0.63 -1.51 0.00 0.00 177.10 173.87 1g2k s ILE 84 N 2.52 2.27 -0.37 0.60 1.01 0.44 -0.82 121.20 126.85 1g2k s ILE 84 Ca 0.69 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 60.28 1g2k s ILE 84 Cb -0.35 -1.93 -0.00 0.00 0.01 0.00 0.00 42.46 40.18 1g2k s ILE 84 CO 0.29 0.54 0.35 -0.63 0.00 0.00 0.00 174.94 175.48 1g2k s ILE 85 N 0.86 5.19 0.40 2.92 -1.09 -0.11 -1.16 121.20 128.21 1g2k s ILE 85 Ca -0.05 -0.18 0.03 0.00 -2.23 0.00 0.00 60.65 58.21 1g2k s ILE 85 Cb -0.15 -3.86 0.08 0.00 -1.58 0.00 0.00 42.46 36.94 1g2k s ILE 85 CO -0.02 -0.18 0.56 0.61 -1.23 0.00 0.00 174.94 174.68 1g2k n GLY 86 N 5.04 1.26 0.35 6.18 0.00 -1.19 -1.41 105.19 115.42 1g2k n GLY 86 Ca -0.10 -2.09 0.10 0.00 0.00 0.00 0.00 46.02 43.94 1g2k n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1g2k h ARG 87 N 0.00 0.47 -0.65 1.61 3.08 -1.12 -0.77 114.38 116.99 1g2k h ARG 87 Ca -0.19 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 59.93 1g2k h ARG 87 Cb 0.75 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 1g2k h ARG 87 CO 0.23 0.31 0.43 -2.95 -1.07 0.00 0.00 179.97 176.92 1g2k h ASN 88 N 0.48 0.45 0.10 7.04 -1.07 -1.75 -1.47 115.58 119.37 1g2k h ASN 88 Ca 0.28 0.01 -0.35 0.00 0.07 0.00 0.00 56.30 56.30 1g2k h ASN 88 Cb 0.45 -0.09 -0.07 0.00 -2.07 0.00 0.00 38.32 36.55 1g2k h ASN 88 CO -0.08 0.27 -2.25 0.18 0.07 0.00 0.00 177.43 175.63 1g2k n LEU 89 N -4.48 0.38 -0.26 6.14 4.77 -0.83 -4.06 117.00 118.67 1g2k n LEU 89 Ca 0.11 0.08 0.02 0.00 -0.03 0.00 0.00 56.01 56.19 1g2k n LEU 89 Cb 0.35 0.33 0.24 0.00 -2.33 0.00 0.00 43.42 42.01 1g2k n LEU 89 CO 0.34 0.51 1.25 -0.07 -1.33 0.00 0.00 177.39 178.08 1g2k h LEU 90 N 0.00 0.90 -1.02 2.23 3.38 -0.87 -1.23 115.31 118.69 1g2k h LEU 90 Ca -0.49 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 1g2k h LEU 90 Cb 2.18 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.71 1g2k h LEU 90 CO 0.03 0.62 -0.24 0.71 0.09 0.00 0.00 178.44 179.66 1g2k h THR 91 N 1.05 1.25 -0.13 0.22 1.35 -1.45 -1.62 112.91 113.59 1g2k h THR 91 Ca 0.33 -1.20 -0.06 0.00 -0.55 0.00 0.00 66.41 64.93 1g2k h THR 91 Cb 0.02 1.35 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 1g2k h THR 91 CO -0.09 0.38 -0.19 1.56 -0.25 0.00 0.00 175.52 176.93 1g2k h GLN 92 N 0.37 0.21 -0.33 4.72 4.20 -1.38 -2.50 115.11 120.40 1g2k h GLN 92 Ca 0.06 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1g2k h GLN 92 Cb 0.62 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1g2k h GLN 92 CO 0.04 0.40 0.00 0.44 -0.67 0.00 0.00 178.83 179.04 1g2k n ILE 93 N -4.23 0.43 -2.19 2.54 -5.35 -0.99 -4.94 119.36 104.63 1g2k n ILE 93 Ca -0.01 -0.58 -0.07 0.00 -0.27 0.00 0.00 62.75 61.82 1g2k n ILE 93 Cb 0.31 0.60 -0.00 0.00 -1.74 0.00 0.00 39.64 38.80 1g2k n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1g2k n GLY 94 N 1.32 0.11 3.73 3.28 0.00 -0.94 -5.01 105.19 107.67 1g2k n GLY 94 Ca 0.18 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 1g2k n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g2k s THR 96 N 0.21 0.80 -0.13 0.00 -4.23 -1.26 -4.70 115.64 106.34 1g2k s THR 96 Ca 0.47 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.93 1g2k s THR 96 Cb -0.23 -2.12 -0.04 0.00 1.34 0.00 0.00 72.50 71.46 1g2k s THR 96 CO 0.29 -0.49 0.07 -0.76 -0.54 0.00 0.00 174.62 173.19 1g2k s LEU 97 N -3.19 3.97 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.31 1g2k s LEU 97 Ca 0.24 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.60 1g2k s LEU 97 Cb 0.06 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1g2k s LEU 97 CO 0.04 0.33 -0.03 0.20 0.23 0.00 0.00 176.35 177.12 1g2k s ASN 98 N -0.59 0.47 0.00 2.29 0.01 -1.26 -5.30 114.94 110.56 1g2k s ASN 98 Ca 0.11 -0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.20 1g2k s ASN 98 Cb -0.12 -0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.45 1g2k s ASN 98 CO 0.02 0.02 0.00 2.22 -1.51 0.00 0.00 177.10 177.85