#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m0b s GLN 2 N 0.00 3.21 -0.07 0.54 0.74 -1.26 -5.10 119.66 117.73 1m0b s GLN 2 Ca 0.00 -0.49 -0.02 0.00 0.05 0.00 0.00 55.36 54.90 1m0b s GLN 2 Cb 0.00 -2.93 0.03 0.00 1.10 0.00 0.00 33.01 31.21 1m0b s GLN 2 CO 0.00 0.62 0.04 0.42 -0.55 0.00 0.00 175.29 175.82 1m0b s ILE 3 N -1.38 0.08 0.77 -2.34 1.01 -1.26 -5.13 121.20 112.95 1m0b s ILE 3 Ca 0.30 0.25 -0.11 0.00 0.00 0.00 0.00 60.65 61.08 1m0b s ILE 3 Cb -0.13 -0.35 0.06 0.00 0.01 0.00 0.00 42.46 42.06 1m0b s ILE 3 CO 0.22 0.16 1.14 0.42 0.00 0.00 0.00 174.94 176.88 1m0b s THR 4 N 2.09 2.46 -0.32 2.92 -4.23 -1.26 -5.01 115.64 112.29 1m0b s THR 4 Ca 0.05 0.10 0.15 0.00 -1.18 0.00 0.00 61.69 60.81 1m0b s THR 4 Cb -0.13 -3.14 0.45 0.00 1.34 0.00 0.00 72.50 71.03 1m0b s THR 4 CO -0.04 -0.18 1.36 0.18 -0.54 0.00 0.00 174.62 175.40 1m0b n LEU 5 N -3.18 3.53 0.06 4.79 4.77 -1.26 -4.57 117.00 121.13 1m0b n LEU 5 Ca 0.08 -2.80 0.01 0.00 -0.03 0.00 0.00 56.01 53.27 1m0b n LEU 5 Cb 0.60 -0.46 0.34 0.00 -2.33 0.00 0.00 43.42 41.57 1m0b n LEU 5 CO 0.57 0.68 0.91 -0.50 -1.33 0.00 0.00 177.39 177.72 1m0b h TRP 6 N 1.65 0.40 -2.56 -1.77 4.06 -2.07 -3.43 115.95 112.24 1m0b h TRP 6 Ca 0.00 -0.04 -0.59 0.00 2.06 0.00 0.00 58.89 60.32 1m0b h TRP 6 Cb 1.24 -0.12 -0.12 0.00 -1.00 0.00 0.00 29.16 29.17 1m0b h TRP 6 CO 0.39 0.45 -0.69 -0.65 -3.56 0.00 0.00 178.44 174.38 1m0b s GLN 7 N -4.85 2.13 0.31 0.49 -1.52 -1.26 -5.09 119.66 109.86 1m0b s GLN 7 Ca -0.07 -1.39 -0.29 0.00 -1.95 0.00 0.00 55.36 51.67 1m0b s GLN 7 Cb 0.15 -2.12 -0.12 0.00 -0.22 0.00 0.00 33.01 30.70 1m0b s GLN 7 CO 0.75 0.39 1.40 0.54 -0.25 0.00 0.00 175.29 178.12 1m0b n ARG 8 N -0.45 2.26 -1.92 2.91 1.74 -1.26 -4.83 116.66 115.11 1m0b n ARG 8 Ca -0.08 0.80 -0.42 0.00 -0.77 0.00 0.00 57.85 57.38 1m0b n ARG 8 Cb 0.57 -2.45 -0.01 0.00 -1.02 0.00 0.00 32.46 29.56 1m0b n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1m0b n PRO 9 N 1.23 2.75 -3.10 5.56 -0.04 -1.26 -4.94 135.00 135.21 1m0b n PRO 9 Ca 0.07 -2.70 -0.39 0.00 -0.04 0.00 0.00 63.50 60.43 1m0b n PRO 9 Cb 0.35 -3.33 -0.05 0.00 -0.04 0.00 0.00 33.50 30.43 1m0b n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1m0b s LEU 10 N 3.03 4.31 0.30 1.53 1.43 -1.26 -0.92 118.68 127.09 1m0b s LEU 10 Ca 0.51 1.11 0.03 0.00 -1.03 0.00 0.00 54.13 54.75 1m0b s LEU 10 Cb 0.11 -3.00 -0.06 0.00 0.03 0.00 0.00 46.19 43.27 1m0b s LEU 10 CO -0.01 -0.09 0.05 0.68 0.23 0.00 0.00 176.35 177.20 1m0b s VAL 11 N 0.77 1.08 -0.22 -1.59 -7.23 -0.02 -4.93 120.40 108.26 1m0b s VAL 11 Ca 0.35 -2.01 -0.13 0.00 -1.81 0.00 0.00 61.98 58.38 1m0b s VAL 11 Cb -0.17 -2.68 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 1m0b s VAL 11 CO 0.16 -0.07 0.26 -0.89 -0.31 0.00 0.00 175.10 174.25 1m0b s THR 12 N -3.38 5.30 0.11 5.32 2.01 -1.26 -0.63 115.64 123.10 1m0b s THR 12 Ca 0.35 0.40 0.10 0.00 0.31 0.00 0.00 61.69 62.85 1m0b s THR 12 Cb 0.08 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1m0b s THR 12 CO 0.14 0.31 -0.26 0.27 -0.69 0.00 0.00 174.62 174.39 1m0b s ILE 13 N 1.14 2.13 -0.19 1.82 -4.36 0.11 -2.01 121.20 119.84 1m0b s ILE 13 Ca 0.12 -1.63 0.00 0.00 -0.26 0.00 0.00 60.65 58.88 1m0b s ILE 13 Cb -0.14 -1.88 0.02 0.00 1.25 0.00 0.00 42.46 41.71 1m0b s ILE 13 CO 0.06 0.12 -0.18 -0.75 0.24 0.00 0.00 174.94 174.43 1m0b s LYS 14 N -1.85 3.03 -0.04 0.37 2.20 0.43 -0.70 119.74 123.19 1m0b s LYS 14 Ca 0.12 -0.81 -0.03 0.00 -0.36 0.00 0.00 55.97 54.90 1m0b s LYS 14 Cb -0.10 -2.64 0.02 0.00 -1.51 0.00 0.00 37.83 33.60 1m0b s LYS 14 CO 0.05 -0.21 0.09 -1.50 -0.36 0.00 0.00 175.35 173.42 1m0b s ILE 15 N 1.31 -0.02 -1.45 5.43 2.07 -0.71 -0.37 121.20 127.46 1m0b s ILE 15 Ca 0.05 0.06 -0.10 0.00 -1.41 0.00 0.00 60.65 59.25 1m0b s ILE 15 Cb -0.13 -0.15 0.06 0.00 0.13 0.00 0.00 42.46 42.37 1m0b s ILE 15 CO -0.12 0.03 0.75 0.61 -1.91 0.00 0.00 174.94 174.30 1m0b n GLY 16 N 3.42 -0.50 3.25 1.50 0.00 -1.26 -1.55 105.19 110.05 1m0b n GLY 16 Ca -0.17 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1m0b n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m0b n GLY 17 N -1.50 2.25 3.79 -0.02 0.00 -1.26 -5.00 105.19 103.44 1m0b n GLY 17 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 1m0b n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1m0b s GLN 18 N -0.03 2.91 -0.17 1.61 -0.21 -0.59 -5.12 119.66 118.06 1m0b s GLN 18 Ca 0.00 -0.79 -0.07 0.00 0.02 0.00 0.00 55.36 54.51 1m0b s GLN 18 Cb 0.00 -2.69 -0.04 0.00 1.00 0.00 0.00 33.01 31.28 1m0b s GLN 18 CO 0.00 0.52 0.07 -0.51 -2.12 0.00 0.00 175.29 173.25 1m0b s LEU 19 N -2.84 3.92 0.18 2.90 1.43 -1.26 -1.73 118.68 121.29 1m0b s LEU 19 Ca 0.30 0.16 -0.07 0.00 -1.03 0.00 0.00 54.13 53.49 1m0b s LEU 19 Cb -0.11 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1m0b s LEU 19 CO 0.23 0.22 0.27 -0.54 0.23 0.00 0.00 176.35 176.76 1m0b s LYS 20 N 0.08 1.22 -0.07 1.70 1.02 0.12 -5.00 119.74 118.81 1m0b s LYS 20 Ca 0.06 -1.31 0.01 0.00 0.02 0.00 0.00 55.97 54.75 1m0b s LYS 20 Cb -0.12 0.36 -0.03 0.00 -0.52 0.00 0.00 37.83 37.52 1m0b s LYS 20 CO 0.00 -0.44 -0.08 -1.21 -0.92 0.00 0.00 175.35 172.70 1m0b s GLU 21 N -4.03 2.72 0.10 1.68 2.02 -1.26 0.07 118.70 120.00 1m0b s GLU 21 Ca 0.23 -0.57 0.02 0.00 0.02 0.00 0.00 54.97 54.67 1m0b s GLU 21 Cb 0.04 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 1m0b s GLU 21 CO 0.04 0.65 -0.07 0.00 0.02 0.00 0.00 175.26 175.90 1m0b s ALA 22 N -0.77 1.00 -0.19 5.21 0.00 0.19 -4.47 121.76 122.73 1m0b s ALA 22 Ca 0.12 -1.32 -0.10 0.00 0.00 0.00 0.00 51.96 50.66 1m0b s ALA 22 Cb -0.11 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 1m0b s ALA 22 CO 0.01 -0.20 0.14 -1.17 0.00 0.00 0.00 175.76 174.54 1m0b s LEU 23 N -2.93 4.23 -0.44 0.00 2.96 0.13 -0.84 118.68 121.78 1m0b s LEU 23 Ca 0.11 0.27 -0.29 0.00 -0.22 0.00 0.00 54.13 54.00 1m0b s LEU 23 Cb 0.04 -2.10 0.02 0.00 0.50 0.00 0.00 46.19 44.65 1m0b s LEU 23 CO -0.04 0.20 1.21 -0.76 -1.32 0.00 0.00 176.35 175.64 1m0b s LEU 24 N 0.23 3.65 -0.57 -0.68 1.43 -0.10 -0.73 118.68 121.91 1m0b s LEU 24 Ca 0.09 0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 53.78 1m0b s LEU 24 Cb -0.11 -3.55 0.15 0.00 0.03 0.00 0.00 46.19 42.71 1m0b s LEU 24 CO -0.01 -1.26 0.39 -0.62 0.23 0.00 0.00 176.35 175.07 1m0b s ASP 25 N 2.76 5.30 0.35 2.29 -1.08 -0.34 -4.81 116.67 121.14 1m0b s ASP 25 Ca 0.51 -2.61 0.24 0.00 -0.52 0.00 0.00 52.55 50.17 1m0b s ASP 25 Cb -0.09 -1.86 1.26 0.00 -1.46 0.00 0.00 42.92 40.76 1m0b s ASP 25 CO 0.30 -0.43 1.73 0.71 0.52 0.00 0.00 175.17 178.01 1m0b h THR 26 N 5.57 0.00 -0.64 1.71 1.35 -1.93 -0.71 112.91 118.26 1m0b h THR 26 Ca -0.05 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1m0b h THR 26 Cb 0.98 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1m0b h THR 26 CO 0.72 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 1m0b n GLY 27 N -1.09 2.00 3.38 5.82 0.00 -1.26 -4.85 105.19 109.19 1m0b n GLY 27 Ca -0.01 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 1m0b n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m0b s ALA 28 N -1.17 2.71 0.14 4.61 0.00 -0.27 -4.98 121.76 122.81 1m0b s ALA 28 Ca 0.43 -0.93 -0.08 0.00 0.00 0.00 0.00 51.96 51.38 1m0b s ALA 28 Cb 0.22 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 1m0b s ALA 28 CO 0.29 0.12 1.41 -0.44 0.00 0.00 0.00 175.76 177.14 1m0b h ASP 29 N 6.96 0.79 -1.61 0.00 3.32 -1.89 -0.09 116.42 123.89 1m0b h ASP 29 Ca -0.30 -0.47 -0.52 0.00 0.02 0.00 0.00 57.03 55.76 1m0b h ASP 29 Cb 1.20 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.46 1m0b h ASP 29 CO 0.58 1.24 -0.44 -1.81 -1.72 0.00 0.00 179.24 177.08 1m0b s ASP 30 N -7.00 4.81 -0.24 6.45 1.01 -1.26 -2.99 116.67 117.46 1m0b s ASP 30 Ca -0.09 -0.84 -0.06 0.00 0.71 0.00 0.00 52.55 52.27 1m0b s ASP 30 Cb 0.10 -0.59 -0.02 0.00 1.01 0.00 0.00 42.92 43.42 1m0b s ASP 30 CO 0.87 -0.55 0.03 -0.89 0.21 0.00 0.00 175.17 174.84 1m0b s THR 31 N -2.50 3.99 -0.16 -1.27 2.01 -1.26 -2.47 115.64 113.99 1m0b s THR 31 Ca 0.44 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.16 1m0b s THR 31 Cb -0.01 -2.85 0.02 0.00 0.01 0.00 0.00 72.50 69.68 1m0b s THR 31 CO 0.25 0.37 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.72 1m0b s VAL 32 N 1.50 1.66 0.08 3.82 1.01 0.13 -0.52 120.40 128.08 1m0b s VAL 32 Ca 0.06 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.36 1m0b s VAL 32 Cb -0.15 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1m0b s VAL 32 CO 0.01 0.43 -0.08 -0.76 0.00 0.00 0.00 175.10 174.71 1m0b s LEU 33 N 1.44 3.12 0.98 3.92 1.43 0.97 -0.11 118.68 130.43 1m0b s LEU 33 Ca 0.04 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 1m0b s LEU 33 Cb -0.13 -1.88 0.18 0.00 0.03 0.00 0.00 46.19 44.39 1m0b s LEU 33 CO -0.11 0.20 1.09 -1.83 0.23 0.00 0.00 176.35 175.93 1m0b s GLU 34 N -2.04 0.57 -0.27 1.70 -1.05 -1.26 -2.37 118.70 113.99 1m0b s GLU 34 Ca 0.21 0.73 -0.42 0.00 -0.15 0.00 0.00 54.97 55.34 1m0b s GLU 34 Cb -0.11 -1.74 -0.18 0.00 -0.44 0.00 0.00 34.13 31.66 1m0b s GLU 34 CO 0.13 -2.69 1.57 -1.91 0.95 0.00 0.00 175.26 173.31 1m0b n GLU 35 N -4.18 0.63 -3.67 -4.83 4.07 -1.20 -4.64 120.64 106.83 1m0b n GLU 35 Ca 0.06 0.23 -0.10 0.00 -0.06 0.00 0.00 57.16 57.29 1m0b n GLU 35 Cb 0.56 -1.83 -0.05 0.00 -0.06 0.00 0.00 31.44 30.06 1m0b n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1m0b s MET 36 N 2.56 1.06 -0.68 5.31 0.23 -1.26 -5.06 119.30 121.45 1m0b s MET 36 Ca 0.98 -0.75 -0.27 0.00 -1.03 0.00 0.00 55.69 54.62 1m0b s MET 36 Cb -1.22 0.46 0.01 0.00 -1.53 0.00 0.00 34.83 32.54 1m0b s MET 36 CO 0.68 -0.41 1.49 0.45 -2.03 0.00 0.00 175.02 175.20 1m0b s SER 37 N -2.82 5.84 0.02 -1.18 0.15 -1.26 -4.99 113.70 109.46 1m0b s SER 37 Ca 0.04 -0.12 0.08 0.00 0.70 0.00 0.00 55.95 56.65 1m0b s SER 37 Cb 0.02 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.76 1m0b s SER 37 CO -0.11 -2.02 -0.25 -0.76 1.20 0.00 0.00 173.24 171.30 1m0b s LEU 38 N 6.94 2.20 0.22 3.45 1.43 -1.26 -4.90 118.68 126.75 1m0b s LEU 38 Ca 0.47 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.94 1m0b s LEU 38 Cb -0.10 -1.34 -0.08 0.00 0.03 0.00 0.00 46.19 44.70 1m0b s LEU 38 CO 0.18 0.29 0.60 -2.84 0.23 0.00 0.00 176.35 174.80 1m0b s PRO 39 N -1.00 3.92 0.00 1.29 0.02 -1.26 -5.00 135.00 132.98 1m0b s PRO 39 Ca 0.11 0.46 0.00 0.00 0.02 0.00 0.00 61.00 61.59 1m0b s PRO 39 Cb -0.10 -2.70 0.00 0.00 0.02 0.00 0.00 34.50 31.72 1m0b s PRO 39 CO 0.01 0.34 0.00 0.41 -0.33 0.00 0.00 177.00 177.43 1m0b n GLY 40 N 0.15 -1.10 3.97 0.52 0.00 -1.26 -5.06 105.19 102.40 1m0b n GLY 40 Ca -0.01 -2.23 -0.23 0.00 0.00 0.00 0.00 46.02 43.56 1m0b n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1m0b s ARG 41 N -0.67 2.33 0.14 1.61 1.04 -1.26 -5.12 118.95 117.02 1m0b s ARG 41 Ca 0.00 -0.70 -0.25 0.00 -1.04 0.00 0.00 55.73 53.74 1m0b s ARG 41 Cb 0.00 -2.39 0.07 0.00 -2.04 0.00 0.00 34.95 30.59 1m0b s ARG 41 CO 0.00 -0.95 0.83 1.67 -0.04 0.00 0.00 175.30 176.82 1m0b s TRP 42 N -2.93 -0.27 0.01 5.89 1.48 -1.26 -4.71 118.94 117.16 1m0b s TRP 42 Ca 0.59 -0.00 0.05 0.00 -1.06 0.00 0.00 56.10 55.68 1m0b s TRP 42 Cb -0.10 0.61 -0.02 0.00 -1.16 0.00 0.00 33.47 32.81 1m0b s TRP 42 CO 0.41 -0.83 -0.16 0.15 -4.06 0.00 0.00 176.95 172.45 1m0b s LYS 43 N -3.44 1.21 0.74 3.25 1.02 -0.98 -4.93 119.74 116.60 1m0b s LYS 43 Ca 0.08 -0.70 -0.14 0.00 0.02 0.00 0.00 55.97 55.23 1m0b s LYS 43 Cb -0.02 -1.21 0.04 0.00 -0.52 0.00 0.00 37.83 36.12 1m0b s LYS 43 CO -0.02 0.32 1.15 -2.14 -0.92 0.00 0.00 175.35 173.74 1m0b s PRO 44 N -0.76 2.21 -0.29 -1.68 0.02 -1.26 -0.14 135.00 133.10 1m0b s PRO 44 Ca 0.05 1.54 -0.23 0.00 0.02 0.00 0.00 61.00 62.38 1m0b s PRO 44 Cb -0.07 -1.86 0.14 0.00 0.02 0.00 0.00 34.50 32.73 1m0b s PRO 44 CO 0.00 -1.74 1.11 0.21 -0.33 0.00 0.00 177.00 176.26 1m0b s LYS 45 N -4.19 0.38 -0.15 5.54 2.20 -0.91 -4.75 119.74 117.86 1m0b s LYS 45 Ca 0.69 0.49 -0.08 0.00 -0.36 0.00 0.00 55.97 56.71 1m0b s LYS 45 Cb -0.24 0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 36.20 1m0b s LYS 45 CO 0.47 -0.05 0.13 -1.64 -0.36 0.00 0.00 175.35 173.89 1m0b s MET 46 N 0.42 3.74 0.06 4.03 -1.94 -1.26 -0.53 119.30 123.82 1m0b s MET 46 Ca 0.01 -0.19 0.04 0.00 -1.71 0.00 0.00 55.69 53.85 1m0b s MET 46 Cb -0.05 -3.26 -0.03 0.00 2.01 0.00 0.00 34.83 33.50 1m0b s MET 46 CO -0.10 0.56 -0.12 0.96 -0.01 0.00 0.00 175.02 176.32 1m0b s ILE 47 N -0.41 0.90 0.07 2.53 -4.36 -0.47 -4.96 121.20 114.50 1m0b s ILE 47 Ca 0.12 -1.25 0.02 0.00 -0.26 0.00 0.00 60.65 59.28 1m0b s ILE 47 Cb -0.12 -0.92 -0.04 0.00 1.25 0.00 0.00 42.46 42.63 1m0b s ILE 47 CO 0.01 -0.30 0.14 -0.83 0.24 0.00 0.00 174.94 174.20 1m0b s GLY 48 N -1.73 2.08 0.00 6.27 0.00 -1.26 -1.02 107.32 111.67 1m0b s GLY 48 Ca -0.04 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.73 1m0b s GLY 48 CO 0.01 -0.92 0.00 0.61 0.00 0.00 0.00 173.10 172.80 1m0b n GLY 49 N 0.36 5.17 3.87 0.20 0.00 -0.12 -5.00 105.19 109.67 1m0b n GLY 49 Ca -0.07 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 1m0b n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1m0b s ILE 50 N -1.01 4.77 0.00 -0.61 1.10 -1.26 -3.54 121.20 120.64 1m0b s ILE 50 Ca 0.00 0.71 0.00 0.00 -0.51 0.00 0.00 60.65 60.85 1m0b s ILE 50 Cb 0.00 -3.67 0.00 0.00 0.15 0.00 0.00 42.46 38.94 1m0b s ILE 50 CO 0.00 -0.33 0.00 0.61 -2.11 0.00 0.00 174.94 173.11 1m0b n GLY 51 N -0.79 2.87 0.00 1.50 0.00 -1.26 -4.93 105.19 102.59 1m0b n GLY 51 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1m0b n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m0b n GLY 52 N 0.00 0.75 3.72 -0.02 0.00 -1.23 -5.11 105.19 103.30 1m0b n GLY 52 Ca 0.00 -1.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.09 1m0b n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1m0b s PHE 53 N -3.48 2.67 0.01 1.61 0.08 -1.26 -0.95 117.98 116.67 1m0b s PHE 53 Ca 0.00 -0.41 -0.07 0.00 0.12 0.00 0.00 56.93 56.58 1m0b s PHE 53 Cb 0.00 -1.64 -0.00 0.00 -0.57 0.00 0.00 43.02 40.80 1m0b s PHE 53 CO 0.00 0.35 0.12 0.96 -0.10 0.00 0.00 175.22 176.55 1m0b s ILE 54 N -2.45 0.10 -0.21 0.64 -4.36 -0.18 -4.97 121.20 109.76 1m0b s ILE 54 Ca 0.38 -0.79 -0.16 0.00 -0.26 0.00 0.00 60.65 59.81 1m0b s ILE 54 Cb -0.02 -0.52 -0.04 0.00 1.25 0.00 0.00 42.46 43.13 1m0b s ILE 54 CO 0.22 -0.44 0.40 -0.75 0.24 0.00 0.00 174.94 174.62 1m0b s LYS 55 N -1.67 4.16 0.44 0.37 2.36 -1.26 -1.37 119.74 122.77 1m0b s LYS 55 Ca -0.13 0.19 0.02 0.00 -2.55 0.00 0.00 55.97 53.50 1m0b s LYS 55 Cb -0.06 -3.55 -0.01 0.00 -1.05 0.00 0.00 37.83 33.16 1m0b s LYS 55 CO 0.00 -0.07 0.06 1.33 1.55 0.00 0.00 175.35 178.23 1m0b n VAL 56 N 4.43 0.00 -5.15 4.02 0.24 0.31 -4.45 118.33 117.72 1m0b n VAL 56 Ca -0.08 -2.26 -0.31 0.00 -2.04 0.00 0.00 64.34 59.65 1m0b n VAL 56 Cb 0.51 0.62 -0.17 0.00 -1.47 0.00 0.00 33.84 33.33 1m0b n VAL 56 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1m0b s ARG 57 N -3.61 2.82 -0.05 7.34 0.52 0.71 -2.13 118.95 124.56 1m0b s ARG 57 Ca 0.09 -0.83 -0.20 0.00 -0.52 0.00 0.00 55.73 54.27 1m0b s ARG 57 Cb 0.00 -2.18 -0.05 0.00 0.52 0.00 0.00 34.95 33.25 1m0b s ARG 57 CO 0.06 0.19 0.58 -1.14 0.02 0.00 0.00 175.30 175.02 1m0b s GLN 58 N 0.31 4.34 -0.18 3.54 0.74 0.80 -1.41 119.66 127.80 1m0b s GLN 58 Ca -0.16 0.69 -0.00 0.00 0.05 0.00 0.00 55.36 55.93 1m0b s GLN 58 Cb -0.17 -3.39 0.04 0.00 1.10 0.00 0.00 33.01 30.60 1m0b s GLN 58 CO 0.08 0.25 -0.05 0.71 -0.55 0.00 0.00 175.29 175.73 1m0b s TYR 59 N 0.22 1.79 0.47 1.67 1.51 -0.78 -2.33 117.35 119.89 1m0b s TYR 59 Ca 0.31 -1.17 -0.01 0.00 -1.01 0.00 0.00 57.07 55.19 1m0b s TYR 59 Cb -0.17 -1.35 -0.00 0.00 -0.11 0.00 0.00 41.96 40.32 1m0b s TYR 59 CO 0.16 -0.64 0.70 -0.51 -1.11 0.00 0.00 175.55 174.15 1m0b s ASP 60 N 1.60 5.84 -1.51 2.29 1.11 -1.26 -0.81 116.67 123.94 1m0b s ASP 60 Ca -0.00 0.38 -0.03 0.00 0.18 0.00 0.00 52.55 53.08 1m0b s ASP 60 Cb -0.16 -1.61 0.00 0.00 1.07 0.00 0.00 42.92 42.22 1m0b s ASP 60 CO -0.08 -0.73 0.09 0.00 1.18 0.00 0.00 175.17 175.64 1m0b n GLN 61 N -2.14 -1.10 -3.51 8.23 6.02 -1.21 -4.84 117.38 118.83 1m0b n GLN 61 Ca 0.01 0.12 -0.38 0.00 -0.01 0.00 0.00 57.00 56.74 1m0b n GLN 61 Cb 0.57 -3.58 -0.06 0.00 1.02 0.00 0.00 30.24 28.19 1m0b n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1m0b s ILE 62 N -4.28 5.05 0.19 5.09 -1.09 -0.32 -4.71 121.20 121.13 1m0b s ILE 62 Ca 0.04 0.82 -0.27 0.00 -2.23 0.00 0.00 60.65 59.01 1m0b s ILE 62 Cb -0.02 -3.71 -0.08 0.00 -1.58 0.00 0.00 42.46 37.07 1m0b s ILE 62 CO 0.99 0.57 0.83 -0.22 -1.23 0.00 0.00 174.94 175.87 1m0b s LEU 63 N -0.99 4.61 -0.07 2.97 2.96 -1.26 -1.73 118.68 125.16 1m0b s LEU 63 Ca 0.23 1.74 -0.07 0.00 -0.22 0.00 0.00 54.13 55.81 1m0b s LEU 63 Cb -0.16 -3.40 0.02 0.00 0.50 0.00 0.00 46.19 43.15 1m0b s LEU 63 CO 0.13 0.19 0.19 -0.51 -1.32 0.00 0.00 176.35 175.04 1m0b s ILE 64 N -1.16 0.01 -0.29 6.68 2.07 0.11 -4.40 121.20 124.22 1m0b s ILE 64 Ca 0.37 -0.05 -0.01 0.00 -1.41 0.00 0.00 60.65 59.55 1m0b s ILE 64 Cb -0.24 -0.29 0.05 0.00 0.13 0.00 0.00 42.46 42.10 1m0b s ILE 64 CO 0.28 -0.03 -0.02 -0.70 -1.91 0.00 0.00 174.94 172.56 1m0b s GLU 65 N -0.00 2.49 -0.31 3.50 2.12 0.50 -1.65 118.70 125.34 1m0b s GLU 65 Ca -0.01 -1.22 -0.07 0.00 0.36 0.00 0.00 54.97 54.04 1m0b s GLU 65 Cb -0.02 -3.12 0.02 0.00 0.26 0.00 0.00 34.13 31.28 1m0b s GLU 65 CO 0.00 -0.57 0.08 0.42 -0.54 0.00 0.00 175.26 174.65 1m0b s ILE 66 N 1.25 3.87 -1.65 -3.70 1.01 -0.55 -0.42 121.20 121.01 1m0b s ILE 66 Ca -0.05 -0.85 -0.17 0.00 0.00 0.00 0.00 60.65 59.58 1m0b s ILE 66 Cb -0.19 -3.06 0.14 0.00 0.01 0.00 0.00 42.46 39.35 1m0b s ILE 66 CO -0.02 -0.00 0.83 0.00 0.00 0.00 0.00 174.94 175.74 1m0b n GLY 68 N -1.49 2.82 3.62 0.00 0.00 -1.26 -5.01 105.19 103.87 1m0b n GLY 68 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1m0b n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1m0b s HIS 69 N -1.98 3.25 0.42 1.61 4.02 -0.13 -5.05 115.29 117.42 1m0b s HIS 69 Ca 0.00 0.78 -0.19 0.00 1.02 0.00 0.00 55.06 56.67 1m0b s HIS 69 Cb 0.00 -2.99 -0.10 0.00 -1.02 0.00 0.00 32.58 28.46 1m0b s HIS 69 CO 0.00 -0.43 0.91 0.15 1.02 0.00 0.00 174.74 176.39 1m0b s LYS 70 N 2.68 4.15 0.03 1.40 1.02 -1.26 -1.47 119.74 126.28 1m0b s LYS 70 Ca 0.28 1.00 -0.26 0.00 0.02 0.00 0.00 55.97 57.02 1m0b s LYS 70 Cb -0.15 -2.23 0.06 0.00 -0.52 0.00 0.00 37.83 34.99 1m0b s LYS 70 CO 0.10 -0.02 0.60 0.00 -0.92 0.00 0.00 175.35 175.11 1m0b s ALA 71 N -2.19 -1.55 -0.06 5.17 0.00 -0.66 -4.85 121.76 117.62 1m0b s ALA 71 Ca 0.60 0.87 0.02 0.00 0.00 0.00 0.00 51.96 53.45 1m0b s ALA 71 Cb -0.09 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.36 1m0b s ALA 71 CO 0.16 -0.50 -0.10 0.42 0.00 0.00 0.00 175.76 175.74 1m0b s ILE 72 N -2.17 0.95 -0.05 0.00 1.01 -1.26 -0.71 121.20 118.98 1m0b s ILE 72 Ca -0.07 -0.38 -0.23 0.00 0.00 0.00 0.00 60.65 59.98 1m0b s ILE 72 Cb -0.01 -0.89 0.07 0.00 0.01 0.00 0.00 42.46 41.65 1m0b s ILE 72 CO 0.01 0.31 1.02 0.61 0.00 0.00 0.00 174.94 176.89 1m0b n GLY 73 N 3.84 0.22 3.76 6.18 0.00 -0.71 -4.85 105.19 113.62 1m0b n GLY 73 Ca -0.23 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 1m0b n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m0b s THR 74 N -2.02 3.11 0.00 2.61 2.01 -1.26 -1.17 115.64 118.92 1m0b s THR 74 Ca 0.24 1.04 0.03 0.00 0.31 0.00 0.00 61.69 63.31 1m0b s THR 74 Cb -0.00 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 1m0b s THR 74 CO -0.02 0.22 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.35 1m0b s VAL 75 N -0.72 0.75 -0.09 3.82 1.01 0.01 -4.60 120.40 120.58 1m0b s VAL 75 Ca 0.50 -0.51 -0.00 0.00 0.00 0.00 0.00 61.98 61.97 1m0b s VAL 75 Cb -0.36 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1m0b s VAL 75 CO 0.45 0.13 -0.06 -0.76 0.00 0.00 0.00 175.10 174.86 1m0b s LEU 76 N -0.42 3.20 -0.12 3.92 1.43 0.32 -1.86 118.68 125.15 1m0b s LEU 76 Ca 0.02 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 1m0b s LEU 76 Cb -0.04 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.46 1m0b s LEU 76 CO -0.00 0.31 -0.23 -0.69 0.23 0.00 0.00 176.35 175.97 1m0b s VAL 77 N -0.49 2.02 -0.00 -1.59 1.01 -0.50 -0.02 120.40 120.83 1m0b s VAL 77 Ca 0.07 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 1m0b s VAL 77 Cb -0.12 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.50 1m0b s VAL 77 CO 0.02 0.55 0.12 0.61 0.00 0.00 0.00 175.10 176.40 1m0b n GLY 78 N 3.79 0.58 1.95 4.51 0.00 -1.00 -0.21 105.19 114.82 1m0b n GLY 78 Ca -0.20 -0.85 -0.01 0.00 0.00 0.00 0.00 46.02 44.97 1m0b n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1m0b n PRO 79 N -0.09 0.35 -2.88 1.61 -0.04 -1.26 -3.25 135.00 129.44 1m0b n PRO 79 Ca 0.00 -0.06 -0.37 0.00 -0.04 0.00 0.00 63.50 63.04 1m0b n PRO 79 Cb 0.05 -1.41 -0.06 0.00 -0.04 0.00 0.00 33.50 32.04 1m0b n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1m0b s THR 80 N 1.60 4.31 0.25 0.52 -1.32 -1.26 -4.99 115.64 114.75 1m0b s THR 80 Ca 0.04 1.69 0.02 0.00 -1.21 0.00 0.00 61.69 62.23 1m0b s THR 80 Cb 0.02 -4.00 0.01 0.00 -1.51 0.00 0.00 72.50 67.02 1m0b s THR 80 CO 0.00 0.21 1.63 -0.65 -2.21 0.00 0.00 174.62 173.60 1m0b h PRO 81 N 3.37 0.43 -4.74 7.08 0.11 -1.97 -3.42 132.00 132.85 1m0b h PRO 81 Ca -0.47 -0.22 -0.30 0.00 0.11 0.00 0.00 66.00 65.13 1m0b h PRO 81 Cb 1.19 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.10 1m0b h PRO 81 CO 0.65 0.77 -0.74 0.54 -0.21 0.00 0.00 178.00 179.02 1m0b s VAL 82 N -4.19 0.69 0.05 3.15 0.11 -1.26 -5.04 120.40 113.90 1m0b s VAL 82 Ca -0.06 -1.23 -0.31 0.00 -2.93 0.00 0.00 61.98 57.45 1m0b s VAL 82 Cb 0.13 -0.84 -0.06 0.00 -1.53 0.00 0.00 36.38 34.08 1m0b s VAL 82 CO 0.80 -0.41 1.27 0.20 -3.33 0.00 0.00 175.10 173.64 1m0b s ASN 83 N -1.80 6.98 -0.14 3.54 0.01 -1.26 -4.69 114.94 117.59 1m0b s ASN 83 Ca -0.06 2.07 0.02 0.00 -0.71 0.00 0.00 52.86 54.19 1m0b s ASN 83 Cb -0.08 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.01 1m0b s ASN 83 CO 0.00 -0.57 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.19 1m0b s ILE 84 N 1.46 2.22 -0.38 0.60 1.01 0.84 0.18 121.20 127.14 1m0b s ILE 84 Ca 0.60 -0.93 -0.15 0.00 0.00 0.00 0.00 60.65 60.18 1m0b s ILE 84 Cb -0.31 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.27 1m0b s ILE 84 CO 0.28 0.54 0.32 -0.63 0.00 0.00 0.00 174.94 175.45 1m0b s ILE 85 N 0.72 5.22 0.47 2.92 -1.09 0.09 -0.69 121.20 128.83 1m0b s ILE 85 Ca -0.09 -0.35 -0.03 0.00 -2.23 0.00 0.00 60.65 57.95 1m0b s ILE 85 Cb -0.16 -3.87 0.10 0.00 -1.58 0.00 0.00 42.46 36.95 1m0b s ILE 85 CO 0.00 -0.21 0.64 0.61 -1.23 0.00 0.00 174.94 174.76 1m0b n GLY 86 N 5.10 -0.03 0.28 6.18 0.00 -1.03 -1.19 105.19 114.49 1m0b n GLY 86 Ca -0.10 -1.89 0.15 0.00 0.00 0.00 0.00 46.02 44.17 1m0b n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1m0b h ARG 87 N 0.00 0.00 -0.67 1.61 3.08 -1.03 -0.54 114.38 116.84 1m0b h ARG 87 Ca -0.21 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 1m0b h ARG 87 Cb 0.69 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 1m0b h ARG 87 CO 0.19 0.08 0.36 -2.95 -1.07 0.00 0.00 179.97 176.58 1m0b h ASN 88 N 0.00 0.82 0.33 7.04 -1.07 -1.80 -0.92 115.58 119.98 1m0b h ASN 88 Ca -0.00 -0.07 -0.32 0.00 0.07 0.00 0.00 56.30 55.98 1m0b h ASN 88 Cb 0.27 -0.21 -0.05 0.00 -2.07 0.00 0.00 38.32 36.26 1m0b h ASN 88 CO 0.01 0.67 -1.92 0.18 0.07 0.00 0.00 177.43 176.44 1m0b n LEU 89 N -4.37 0.86 -0.02 6.14 4.77 -0.97 -4.16 117.00 119.25 1m0b n LEU 89 Ca 0.06 0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 56.32 1m0b n LEU 89 Cb 0.10 0.12 0.28 0.00 -2.33 0.00 0.00 43.42 41.59 1m0b n LEU 89 CO 0.38 0.47 0.95 -0.07 -1.33 0.00 0.00 177.39 177.78 1m0b h LEU 90 N 0.01 0.54 -0.86 2.23 3.38 -0.84 -2.16 115.31 117.60 1m0b h LEU 90 Ca -0.37 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.40 1m0b h LEU 90 Cb 2.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.66 1m0b h LEU 90 CO 0.06 0.59 -0.20 0.71 0.09 0.00 0.00 178.44 179.69 1m0b h THR 91 N 0.56 1.26 0.00 0.22 1.35 -1.36 -1.63 112.91 113.31 1m0b h THR 91 Ca 0.12 -1.24 -0.04 0.00 -0.55 0.00 0.00 66.41 64.70 1m0b h THR 91 Cb 0.32 1.23 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 1m0b h THR 91 CO 0.01 0.41 -0.17 1.56 -0.25 0.00 0.00 175.52 177.08 1m0b h GLN 92 N 0.55 0.00 -0.48 4.72 4.20 -1.55 -2.50 115.11 120.05 1m0b h GLN 92 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1m0b h GLN 92 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1m0b h GLN 92 CO 0.05 0.17 0.00 0.44 -0.67 0.00 0.00 178.83 178.82 1m0b n ILE 93 N -3.54 2.48 -3.66 2.54 -5.35 -1.10 -4.94 119.36 105.79 1m0b n ILE 93 Ca -0.01 -1.53 -0.24 0.00 -0.27 0.00 0.00 62.75 60.70 1m0b n ILE 93 Cb 0.32 -0.21 0.06 0.00 -1.74 0.00 0.00 39.64 38.07 1m0b n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1m0b n GLY 94 N 0.31 -0.48 3.71 3.28 0.00 -0.94 -4.97 105.19 106.10 1m0b n GLY 94 Ca 0.25 0.20 -0.39 0.00 0.00 0.00 0.00 46.02 46.08 1m0b n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1m0b s THR 96 N 0.92 1.93 0.04 0.00 -4.23 -1.26 -4.70 115.64 108.34 1m0b s THR 96 Ca 0.33 -2.17 0.02 0.00 -1.18 0.00 0.00 61.69 58.68 1m0b s THR 96 Cb -0.17 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.11 1m0b s THR 96 CO 0.14 -0.26 0.07 -0.76 -0.54 0.00 0.00 174.62 173.28 1m0b s LEU 97 N -3.52 3.81 -0.06 4.79 1.43 -1.26 -5.09 118.68 118.78 1m0b s LEU 97 Ca 0.31 0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.40 1m0b s LEU 97 Cb 0.03 -2.37 0.01 0.00 0.03 0.00 0.00 46.19 43.89 1m0b s LEU 97 CO 0.14 0.22 0.15 0.20 0.23 0.00 0.00 176.35 177.29 1m0b s ASN 98 N -2.09 -0.15 0.00 2.29 0.01 -1.26 -5.27 114.94 108.47 1m0b s ASN 98 Ca 0.26 0.30 0.00 0.00 -0.71 0.00 0.00 52.86 52.71 1m0b s ASN 98 Cb -0.12 0.30 0.00 0.00 0.41 0.00 0.00 41.25 41.84 1m0b s ASN 98 CO 0.18 -0.05 0.00 2.22 -1.51 0.00 0.00 177.10 177.94