#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dif s GLN 2 N 0.00 3.09 -0.21 0.54 0.74 -1.26 -5.10 119.66 117.46 1dif s GLN 2 Ca 0.00 -0.81 -0.07 0.00 0.05 0.00 0.00 55.36 54.53 1dif s GLN 2 Cb 0.00 -2.97 -0.03 0.00 1.10 0.00 0.00 33.01 31.10 1dif s GLN 2 CO 0.00 -0.30 0.04 0.42 -0.55 0.00 0.00 175.29 174.90 1dif s ILE 3 N 1.40 4.37 0.64 -2.34 1.01 -1.26 -5.10 121.20 119.92 1dif s ILE 3 Ca 0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 60.65 60.49 1dif s ILE 3 Cb -0.15 -2.99 0.06 0.00 0.01 0.00 0.00 42.46 39.39 1dif s ILE 3 CO -0.05 0.41 0.91 0.42 0.00 0.00 0.00 174.94 176.64 1dif s THR 4 N 0.93 2.42 -0.13 2.92 -4.23 -1.26 -5.03 115.64 111.26 1dif s THR 4 Ca 0.03 -0.50 0.17 0.00 -1.18 0.00 0.00 61.69 60.21 1dif s THR 4 Cb -0.14 -2.92 0.30 0.00 1.34 0.00 0.00 72.50 71.07 1dif s THR 4 CO 0.02 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.44 1dif n LEU 5 N -2.66 2.30 0.23 4.79 4.77 -1.26 -4.53 117.00 120.64 1dif n LEU 5 Ca 0.09 -3.11 0.09 0.00 -0.03 0.00 0.00 56.01 53.05 1dif n LEU 5 Cb 0.60 -0.42 0.57 0.00 -2.33 0.00 0.00 43.42 41.83 1dif n LEU 5 CO 0.47 0.78 0.88 -0.50 -1.33 0.00 0.00 177.39 177.69 1dif h TRP 6 N 0.13 0.00 -1.94 -1.77 4.06 -2.06 -3.43 115.95 110.94 1dif h TRP 6 Ca -0.00 0.00 -0.60 0.00 2.06 0.00 0.00 58.89 60.35 1dif h TRP 6 Cb 1.02 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.05 1dif h TRP 6 CO 0.10 0.21 -0.61 -0.65 -3.56 0.00 0.00 178.44 173.92 1dif s GLN 7 N -4.19 1.87 0.36 0.49 -0.21 -1.26 -5.10 119.66 111.62 1dif s GLN 7 Ca -0.03 -2.04 -0.28 0.00 0.02 0.00 0.00 55.36 53.03 1dif s GLN 7 Cb 0.13 -1.49 -0.11 0.00 1.00 0.00 0.00 33.01 32.54 1dif s GLN 7 CO 0.64 -0.05 1.52 1.03 -2.12 0.00 0.00 175.29 176.32 1dif s ARG 8 N -3.73 4.10 -1.39 2.91 0.52 -1.26 -4.86 118.95 115.23 1dif s ARG 8 Ca 0.35 2.59 -0.13 0.00 -0.52 0.00 0.00 55.73 58.02 1dif s ARG 8 Cb 0.09 -2.97 0.08 0.00 0.52 0.00 0.00 34.95 32.66 1dif s ARG 8 CO 0.17 -0.58 2.09 -0.35 0.02 0.00 0.00 175.30 176.65 1dif n PRO 9 N 0.82 3.10 -3.31 3.54 -0.04 -1.26 -4.95 135.00 132.91 1dif n PRO 9 Ca 0.03 -2.93 -0.38 0.00 -0.04 0.00 0.00 63.50 60.18 1dif n PRO 9 Cb 0.39 -3.19 -0.06 0.00 -0.04 0.00 0.00 33.50 30.60 1dif n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1dif s LEU 10 N 1.60 4.40 0.32 1.53 1.43 -1.26 -1.26 118.68 125.44 1dif s LEU 10 Ca 0.45 1.02 0.03 0.00 -1.03 0.00 0.00 54.13 54.60 1dif s LEU 10 Cb 0.12 -2.77 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 1dif s LEU 10 CO -0.05 0.14 0.10 0.68 0.23 0.00 0.00 176.35 177.45 1dif s VAL 11 N -0.25 0.78 -0.11 -1.59 -7.23 0.86 -4.90 120.40 107.95 1dif s VAL 11 Ca 0.28 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.29 1dif s VAL 11 Cb -0.17 -2.63 -0.05 0.00 0.56 0.00 0.00 36.38 34.10 1dif s VAL 11 CO 0.14 0.00 0.40 -0.89 -0.31 0.00 0.00 175.10 174.44 1dif s THR 12 N -3.46 5.20 0.30 5.32 2.01 -1.26 -0.44 115.64 123.31 1dif s THR 12 Ca 0.34 0.79 0.11 0.00 0.31 0.00 0.00 61.69 63.24 1dif s THR 12 Cb 0.07 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 1dif s THR 12 CO 0.15 0.40 -0.14 0.27 -0.69 0.00 0.00 174.62 174.61 1dif s ILE 13 N 0.22 2.55 -0.11 1.82 -4.36 0.43 -2.48 121.20 119.26 1dif s ILE 13 Ca 0.22 -2.28 0.03 0.00 -0.26 0.00 0.00 60.65 58.36 1dif s ILE 13 Cb -0.15 -2.47 0.01 0.00 1.25 0.00 0.00 42.46 41.10 1dif s ILE 13 CO 0.09 -0.34 -0.21 -0.75 0.24 0.00 0.00 174.94 173.97 1dif s LYS 14 N -3.57 2.79 -0.10 0.37 2.20 -0.34 -1.50 119.74 119.59 1dif s LYS 14 Ca 0.31 -0.78 -0.04 0.00 -0.36 0.00 0.00 55.97 55.10 1dif s LYS 14 Cb -0.03 -2.20 0.05 0.00 -1.51 0.00 0.00 37.83 34.14 1dif s LYS 14 CO 0.16 0.06 0.22 -1.50 -0.36 0.00 0.00 175.35 173.93 1dif s ILE 15 N 0.65 -0.23 -2.16 5.43 1.10 0.64 -2.37 121.20 124.25 1dif s ILE 15 Ca -0.12 0.25 0.00 0.00 -0.51 0.00 0.00 60.65 60.27 1dif s ILE 15 Cb -0.16 -0.37 0.00 0.00 0.15 0.00 0.00 42.46 42.08 1dif s ILE 15 CO 0.03 0.10 0.00 0.61 -2.11 0.00 0.00 174.94 173.57 1dif n GLY 16 N 4.91 1.78 1.27 1.50 0.00 -1.26 0.03 105.19 113.42 1dif n GLY 16 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1dif n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dif n GLY 17 N -0.48 0.74 3.51 -0.02 0.00 -1.26 -5.05 105.19 102.64 1dif n GLY 17 Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 1dif n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1dif s GLN 18 N -0.53 2.44 0.07 1.61 2.00 0.10 -5.11 119.66 120.24 1dif s GLN 18 Ca 0.00 -0.75 -0.14 0.00 -2.00 0.00 0.00 55.36 52.47 1dif s GLN 18 Cb 0.00 -2.39 -0.06 0.00 0.80 0.00 0.00 33.01 31.36 1dif s GLN 18 CO 0.00 0.60 0.47 -0.51 -0.50 0.00 0.00 175.29 175.35 1dif s LEU 19 N -1.06 4.42 0.17 3.68 1.02 -1.26 -0.26 118.68 125.39 1dif s LEU 19 Ca 0.14 1.00 -0.11 0.00 0.02 0.00 0.00 54.13 55.18 1dif s LEU 19 Cb -0.11 -2.91 -0.00 0.00 0.02 0.00 0.00 46.19 43.20 1dif s LEU 19 CO 0.03 0.22 0.34 -0.54 0.02 0.00 0.00 176.35 176.42 1dif s LYS 20 N -1.51 1.20 -0.11 1.70 1.02 -0.56 -4.97 119.74 116.51 1dif s LYS 20 Ca 0.30 -1.10 -0.04 0.00 0.02 0.00 0.00 55.97 55.16 1dif s LYS 20 Cb -0.16 0.41 -0.04 0.00 -0.52 0.00 0.00 37.83 37.52 1dif s LYS 20 CO 0.17 -0.46 0.04 -2.00 -0.92 0.00 0.00 175.35 172.18 1dif s GLU 21 N -3.94 3.22 0.06 1.68 2.12 -1.26 -0.43 118.70 120.15 1dif s GLU 21 Ca 0.15 -0.34 -0.10 0.00 0.36 0.00 0.00 54.97 55.04 1dif s GLU 21 Cb 0.02 -2.93 0.01 0.00 0.26 0.00 0.00 34.13 31.49 1dif s GLU 21 CO -0.01 0.65 0.22 0.00 -0.54 0.00 0.00 175.26 175.58 1dif s ALA 22 N -0.72 -0.38 -0.16 6.30 0.00 0.42 -4.51 121.76 122.71 1dif s ALA 22 Ca 0.12 -0.36 -0.13 0.00 0.00 0.00 0.00 51.96 51.59 1dif s ALA 22 Cb -0.12 0.39 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 1dif s ALA 22 CO 0.02 -0.44 0.27 -1.17 0.00 0.00 0.00 175.76 174.44 1dif s LEU 23 N -2.43 4.25 -0.38 0.00 2.96 0.28 -0.10 118.68 123.26 1dif s LEU 23 Ca -0.01 0.48 -0.28 0.00 -0.22 0.00 0.00 54.13 54.11 1dif s LEU 23 Cb 0.02 -2.33 0.02 0.00 0.50 0.00 0.00 46.19 44.40 1dif s LEU 23 CO -0.07 0.13 1.05 -0.76 -1.32 0.00 0.00 176.35 175.38 1dif s LEU 24 N 0.33 3.87 -0.27 -0.68 1.43 -0.39 -0.04 118.68 122.93 1dif s LEU 24 Ca 0.16 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 1dif s LEU 24 Cb -0.13 -3.45 0.08 0.00 0.03 0.00 0.00 46.19 42.72 1dif s LEU 24 CO 0.03 -0.99 0.02 -0.62 0.23 0.00 0.00 176.35 175.03 1dif s ASP 25 N 1.97 3.92 0.23 2.29 2.15 -0.23 -4.82 116.67 122.18 1dif s ASP 25 Ca 0.44 -1.42 0.24 0.00 0.43 0.00 0.00 52.55 52.23 1dif s ASP 25 Cb -0.11 -1.07 0.93 0.00 -0.30 0.00 0.00 42.92 42.38 1dif s ASP 25 CO 0.21 -0.32 1.72 0.35 -0.17 0.00 0.00 175.17 176.96 1dif n THR 26 N 4.72 0.77 0.79 1.71 -2.24 -1.26 -2.97 114.28 115.79 1dif n THR 26 Ca -0.06 0.11 0.13 0.00 -2.27 0.00 0.00 64.05 61.96 1dif n THR 26 Cb 0.43 -1.01 0.43 0.00 -2.10 0.00 0.00 70.33 68.08 1dif n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dif n GLY 27 N 0.32 -1.54 3.71 3.38 0.00 -1.26 -4.81 105.19 104.99 1dif n GLY 27 Ca 0.03 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 1dif n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dif s ALA 28 N -3.06 3.60 0.19 4.61 0.00 -1.16 -4.97 121.76 120.97 1dif s ALA 28 Ca 0.11 -0.71 0.12 0.00 0.00 0.00 0.00 51.96 51.49 1dif s ALA 28 Cb 0.15 -2.05 0.32 0.00 0.00 0.00 0.00 23.12 21.54 1dif s ALA 28 CO 0.60 0.21 1.57 -0.44 0.00 0.00 0.00 175.76 177.71 1dif h ASP 29 N 6.51 0.00 -1.77 0.00 3.32 -1.89 0.94 116.42 123.53 1dif h ASP 29 Ca -0.41 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.02 1dif h ASP 29 Cb 1.16 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.59 1dif h ASP 29 CO 0.72 0.62 -0.62 -1.81 -1.72 0.00 0.00 179.24 176.43 1dif s ASP 30 N -6.70 3.89 -0.21 6.45 1.01 -1.26 -2.47 116.67 117.38 1dif s ASP 30 Ca -0.00 -1.26 -0.09 0.00 0.71 0.00 0.00 52.55 51.90 1dif s ASP 30 Cb 0.11 -0.40 -0.05 0.00 1.01 0.00 0.00 42.92 43.60 1dif s ASP 30 CO 0.75 -0.35 0.12 -0.89 0.21 0.00 0.00 175.17 175.01 1dif s THR 31 N -2.65 5.23 -0.12 -1.27 2.01 -1.26 -2.85 115.64 114.73 1dif s THR 31 Ca 0.34 0.13 -0.01 0.00 0.31 0.00 0.00 61.69 62.46 1dif s THR 31 Cb 0.06 -3.40 0.03 0.00 0.01 0.00 0.00 72.50 69.21 1dif s THR 31 CO 0.18 0.42 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.80 1dif s VAL 32 N 0.58 0.80 0.21 3.82 1.01 -0.73 -1.35 120.40 124.73 1dif s VAL 32 Ca 0.07 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 61.89 1dif s VAL 32 Cb -0.12 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1dif s VAL 32 CO 0.00 0.25 -0.02 -0.76 0.00 0.00 0.00 175.10 174.56 1dif s LEU 33 N 1.79 3.18 0.91 3.92 1.43 0.28 -0.58 118.68 129.61 1dif s LEU 33 Ca 0.04 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.48 1dif s LEU 33 Cb -0.13 -1.79 0.14 0.00 0.03 0.00 0.00 46.19 44.43 1dif s LEU 33 CO -0.07 0.06 1.09 -1.83 0.23 0.00 0.00 176.35 175.83 1dif s GLU 34 N -3.20 1.17 0.26 1.70 -1.05 -1.26 -1.11 118.70 115.20 1dif s GLU 34 Ca 0.28 0.80 -0.31 0.00 -0.15 0.00 0.00 54.97 55.59 1dif s GLU 34 Cb -0.08 -1.80 -0.12 0.00 -0.44 0.00 0.00 34.13 31.69 1dif s GLU 34 CO 0.18 -2.30 1.66 0.39 0.95 0.00 0.00 175.26 176.14 1dif n GLU 35 N -3.92 2.74 -3.52 -4.83 1.02 -1.14 -4.47 120.64 106.52 1dif n GLU 35 Ca 0.07 0.98 -0.09 0.00 -0.02 0.00 0.00 57.16 58.10 1dif n GLU 35 Cb 0.55 -2.79 -0.03 0.00 -0.02 0.00 0.00 31.44 29.15 1dif n GLU 35 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dif s MET 36 N 0.24 0.76 -0.19 3.49 0.23 -1.26 -5.01 119.30 117.56 1dif s MET 36 Ca 0.69 -0.21 -0.22 0.00 -1.03 0.00 0.00 55.69 54.92 1dif s MET 36 Cb -0.50 0.35 -0.02 0.00 -1.53 0.00 0.00 34.83 33.13 1dif s MET 36 CO 0.41 -0.32 0.70 -1.12 -2.03 0.00 0.00 175.02 172.67 1dif s SER 37 N -2.21 6.78 0.13 -1.18 0.01 -1.26 -5.04 113.70 110.92 1dif s SER 37 Ca 0.04 0.95 0.11 0.00 1.31 0.00 0.00 55.95 58.36 1dif s SER 37 Cb -0.01 -2.39 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 1dif s SER 37 CO -0.07 -0.32 -0.25 -0.76 0.41 0.00 0.00 173.24 172.25 1dif s LEU 38 N 1.99 2.38 0.44 2.44 1.43 -1.26 -5.03 118.68 121.07 1dif s LEU 38 Ca 0.32 -0.72 -0.23 0.00 -1.03 0.00 0.00 54.13 52.47 1dif s LEU 38 Cb -0.16 -1.27 -0.08 0.00 0.03 0.00 0.00 46.19 44.70 1dif s LEU 38 CO 0.11 0.18 1.10 -2.16 0.23 0.00 0.00 176.35 175.81 1dif s PRO 39 N -2.08 3.92 0.00 1.29 0.04 -1.26 -4.94 135.00 131.97 1dif s PRO 39 Ca 0.15 1.62 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1dif s PRO 39 Cb -0.10 -2.42 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1dif s PRO 39 CO 0.07 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.14 1dif n GLY 40 N 0.33 2.66 3.83 0.56 0.00 -1.26 -5.05 105.19 106.25 1dif n GLY 40 Ca 0.07 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 1dif n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dif s ARG 41 N -2.22 3.98 0.14 1.61 0.52 -1.26 -5.09 118.95 116.63 1dif s ARG 41 Ca 0.00 1.08 0.02 0.00 -0.52 0.00 0.00 55.73 56.31 1dif s ARG 41 Cb 0.00 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.29 1dif s ARG 41 CO 0.00 -0.24 -0.04 1.67 0.02 0.00 0.00 175.30 176.71 1dif s TRP 42 N -2.38 1.10 0.10 -0.53 1.48 -1.26 -4.64 118.94 112.80 1dif s TRP 42 Ca 0.61 -0.94 0.08 0.00 -1.06 0.00 0.00 56.10 54.79 1dif s TRP 42 Cb -0.11 -0.62 -0.03 0.00 -1.16 0.00 0.00 33.47 31.55 1dif s TRP 42 CO 0.24 -0.14 -0.21 -1.59 -4.06 0.00 0.00 176.95 171.19 1dif s LYS 43 N -3.86 1.15 0.39 3.25 -2.85 -1.00 -4.91 119.74 111.91 1dif s LYS 43 Ca 0.18 -1.14 -0.26 0.00 -1.00 0.00 0.00 55.97 53.76 1dif s LYS 43 Cb 0.05 -1.40 -0.09 0.00 -2.06 0.00 0.00 37.83 34.34 1dif s LYS 43 CO 0.00 0.33 1.15 -1.25 0.10 0.00 0.00 175.35 175.68 1dif s PRO 44 N -1.83 4.14 0.07 1.78 0.04 -1.26 -0.10 135.00 137.84 1dif s PRO 44 Ca 0.06 1.80 -0.02 0.00 0.04 0.00 0.00 61.00 62.88 1dif s PRO 44 Cb -0.10 -2.72 -0.03 0.00 0.04 0.00 0.00 34.50 31.69 1dif s PRO 44 CO 0.04 -0.24 0.03 0.21 0.04 0.00 0.00 177.00 177.08 1dif s LYS 45 N -2.23 0.72 0.07 4.56 2.20 -0.37 -4.85 119.74 119.83 1dif s LYS 45 Ca 0.56 -1.22 0.05 0.00 -0.36 0.00 0.00 55.97 55.00 1dif s LYS 45 Cb -0.30 0.24 -0.04 0.00 -1.51 0.00 0.00 37.83 36.23 1dif s LYS 45 CO 0.37 -0.17 -0.07 -1.64 -0.36 0.00 0.00 175.35 173.49 1dif s MET 46 N -3.93 2.38 0.06 4.03 -1.94 -1.26 -0.49 119.30 118.13 1dif s MET 46 Ca 0.10 -0.87 0.00 0.00 -1.71 0.00 0.00 55.69 53.21 1dif s MET 46 Cb 0.07 -2.43 -0.03 0.00 2.01 0.00 0.00 34.83 34.45 1dif s MET 46 CO -0.08 0.55 -0.05 0.96 -0.01 0.00 0.00 175.02 176.39 1dif s ILE 47 N -1.16 0.38 0.24 2.53 -5.25 -0.36 -4.94 121.20 112.65 1dif s ILE 47 Ca 0.21 -1.59 0.04 0.00 -0.99 0.00 0.00 60.65 58.31 1dif s ILE 47 Cb -0.11 -1.22 -0.05 0.00 2.95 0.00 0.00 42.46 44.02 1dif s ILE 47 CO 0.13 -0.79 0.01 -0.83 -1.79 0.00 0.00 174.94 171.66 1dif s GLY 48 N -2.52 1.63 0.00 6.27 0.00 -1.26 -0.45 107.32 110.99 1dif s GLY 48 Ca 0.02 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 42.93 1dif s GLY 48 CO -0.06 -1.68 0.00 0.61 0.00 0.00 0.00 173.10 171.97 1dif n GLY 49 N -0.45 2.43 3.74 0.20 0.00 -0.44 -4.99 105.19 105.67 1dif n GLY 49 Ca -0.04 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 1dif n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1dif n ILE 50 N 0.00 2.09 0.00 -0.61 2.08 -1.26 -2.31 119.36 119.34 1dif n ILE 50 Ca 0.00 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.81 1dif n ILE 50 Cb 0.00 -1.79 0.00 0.00 -0.75 0.00 0.00 39.64 37.10 1dif n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1dif n GLY 51 N 0.60 2.75 0.00 7.39 0.00 -1.26 -4.92 105.19 109.75 1dif n GLY 51 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1dif n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dif n GLY 52 N -0.01 0.53 3.48 -0.02 0.00 -0.98 -5.11 105.19 103.07 1dif n GLY 52 Ca 0.00 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 1dif n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dif s PHE 53 N -2.71 2.58 0.26 1.61 0.40 -1.26 -1.33 117.98 117.52 1dif s PHE 53 Ca 0.00 -0.24 0.08 0.00 -0.60 0.00 0.00 56.93 56.17 1dif s PHE 53 Cb 0.00 -1.44 -0.05 0.00 0.51 0.00 0.00 43.02 42.03 1dif s PHE 53 CO 0.00 0.30 -0.12 0.96 0.70 0.00 0.00 175.22 177.05 1dif s ILE 54 N -0.99 1.89 -0.17 0.64 -4.36 0.40 -4.95 121.20 113.66 1dif s ILE 54 Ca 0.16 -2.22 -0.10 0.00 -0.26 0.00 0.00 60.65 58.23 1dif s ILE 54 Cb -0.11 -2.29 -0.05 0.00 1.25 0.00 0.00 42.46 41.27 1dif s ILE 54 CO 0.07 -0.42 0.17 -0.75 0.24 0.00 0.00 174.94 174.25 1dif s LYS 55 N -3.64 4.06 0.28 0.37 2.36 -1.26 -1.22 119.74 120.68 1dif s LYS 55 Ca 0.27 -0.13 0.05 0.00 -2.55 0.00 0.00 55.97 53.61 1dif s LYS 55 Cb 0.00 -3.37 -0.06 0.00 -1.05 0.00 0.00 37.83 33.35 1dif s LYS 55 CO 0.11 0.39 -0.01 0.14 1.55 0.00 0.00 175.35 177.53 1dif s VAL 56 N 0.09 1.35 -0.14 4.02 -7.23 0.35 -4.51 120.40 114.33 1dif s VAL 56 Ca 0.11 -2.06 -0.06 0.00 -1.81 0.00 0.00 61.98 58.16 1dif s VAL 56 Cb -0.12 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 1dif s VAL 56 CO 0.01 -0.23 0.09 -0.13 -0.31 0.00 0.00 175.10 174.52 1dif s ARG 57 N -3.81 3.55 -0.20 4.82 3.00 0.03 -1.24 118.95 125.11 1dif s ARG 57 Ca 0.31 -0.26 -0.16 0.00 0.00 0.00 0.00 55.73 55.62 1dif s ARG 57 Cb 0.06 -3.13 -0.04 0.00 0.00 0.00 0.00 34.95 31.84 1dif s ARG 57 CO 0.12 0.59 0.40 -1.14 0.00 0.00 0.00 175.30 175.26 1dif s GLN 58 N -0.50 4.19 -0.07 3.54 0.74 0.86 -0.95 119.66 127.46 1dif s GLN 58 Ca 0.11 0.21 0.02 0.00 0.05 0.00 0.00 55.36 55.75 1dif s GLN 58 Cb -0.12 -3.53 -0.03 0.00 1.10 0.00 0.00 33.01 30.44 1dif s GLN 58 CO 0.02 -0.02 -0.10 0.71 -0.55 0.00 0.00 175.29 175.35 1dif s TYR 59 N 1.25 2.85 0.19 1.67 1.51 0.10 -2.37 117.35 122.55 1dif s TYR 59 Ca 0.19 -0.10 0.06 0.00 -1.01 0.00 0.00 57.07 56.21 1dif s TYR 59 Cb -0.15 -1.70 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 1dif s TYR 59 CO 0.08 0.22 0.12 -0.51 -1.11 0.00 0.00 175.55 174.35 1dif s ASP 60 N -0.65 5.36 -1.38 2.29 1.01 -1.26 -1.35 116.67 120.70 1dif s ASP 60 Ca 0.10 -0.21 -0.07 0.00 0.71 0.00 0.00 52.55 53.07 1dif s ASP 60 Cb -0.11 -1.34 0.03 0.00 1.01 0.00 0.00 42.92 42.50 1dif s ASP 60 CO 0.01 0.05 0.99 1.67 0.21 0.00 0.00 175.17 178.11 1dif n GLN 61 N -0.49 -6.37 -3.45 8.23 7.27 -1.10 -4.92 117.38 116.55 1dif n GLN 61 Ca -0.08 0.72 -0.38 0.00 0.07 0.00 0.00 57.00 57.32 1dif n GLN 61 Cb 0.56 -5.62 -0.06 0.00 2.41 0.00 0.00 30.24 27.53 1dif n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1dif s ILE 62 N -3.39 4.97 -0.08 1.69 -1.09 0.27 -4.66 121.20 118.91 1dif s ILE 62 Ca 0.39 0.92 -0.20 0.00 -2.23 0.00 0.00 60.65 59.54 1dif s ILE 62 Cb -0.18 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 1dif s ILE 62 CO 0.78 0.57 0.54 -0.22 -1.23 0.00 0.00 174.94 175.38 1dif s LEU 63 N -1.06 4.32 0.04 2.97 2.96 -1.26 -0.87 118.68 125.79 1dif s LEU 63 Ca 0.25 0.97 -0.04 0.00 -0.22 0.00 0.00 54.13 55.09 1dif s LEU 63 Cb -0.17 -2.82 -0.02 0.00 0.50 0.00 0.00 46.19 43.68 1dif s LEU 63 CO 0.15 0.01 0.05 -0.51 -1.32 0.00 0.00 176.35 174.72 1dif s ILE 64 N 0.42 0.15 -0.09 6.68 2.07 -0.07 -4.51 121.20 125.85 1dif s ILE 64 Ca 0.29 -1.27 0.01 0.00 -1.41 0.00 0.00 60.65 58.28 1dif s ILE 64 Cb -0.16 -0.99 0.02 0.00 0.13 0.00 0.00 42.46 41.45 1dif s ILE 64 CO 0.13 -0.70 -0.10 -0.70 -1.91 0.00 0.00 174.94 171.67 1dif s GLU 65 N -2.87 1.57 -0.24 3.50 2.12 -1.00 0.02 118.70 121.79 1dif s GLU 65 Ca -0.03 -0.32 0.02 0.00 0.36 0.00 0.00 54.97 55.00 1dif s GLU 65 Cb 0.00 -1.46 0.06 0.00 0.26 0.00 0.00 34.13 32.99 1dif s GLU 65 CO -0.06 -0.12 -0.07 0.42 -0.54 0.00 0.00 175.26 174.89 1dif s ILE 66 N 1.18 1.77 -1.49 -3.70 1.09 0.46 -1.20 121.20 119.32 1dif s ILE 66 Ca -0.05 -1.38 -0.12 0.00 -1.10 0.00 0.00 60.65 58.00 1dif s ILE 66 Cb -0.14 -1.98 0.07 0.00 -1.06 0.00 0.00 42.46 39.35 1dif s ILE 66 CO -0.02 -0.08 0.88 0.00 -0.10 0.00 0.00 174.94 175.62 1dif n GLY 68 N -1.62 2.12 3.68 0.00 0.00 -1.26 -5.00 105.19 103.10 1dif n GLY 68 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1dif n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1dif s HIS 69 N -3.08 3.38 0.34 1.61 4.02 0.31 -5.04 115.29 116.82 1dif s HIS 69 Ca 0.00 0.54 -0.26 0.00 1.02 0.00 0.00 55.06 56.36 1dif s HIS 69 Cb 0.00 -2.45 -0.10 0.00 -1.02 0.00 0.00 32.58 29.01 1dif s HIS 69 CO 0.00 0.04 0.99 0.15 1.02 0.00 0.00 174.74 176.94 1dif s LYS 70 N 1.14 4.46 0.02 1.40 1.02 -1.26 -0.40 119.74 126.12 1dif s LYS 70 Ca 0.17 1.44 -0.00 0.00 0.02 0.00 0.00 55.97 57.59 1dif s LYS 70 Cb -0.14 -2.76 -0.02 0.00 -0.52 0.00 0.00 37.83 34.39 1dif s LYS 70 CO 0.07 0.14 -0.02 0.00 -0.92 0.00 0.00 175.35 174.62 1dif s ALA 71 N -1.58 0.10 -0.13 5.17 0.00 0.10 -4.70 121.76 120.72 1dif s ALA 71 Ca 0.52 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.90 1dif s ALA 71 Cb -0.21 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.09 1dif s ALA 71 CO 0.27 -0.17 -0.04 0.42 0.00 0.00 0.00 175.76 176.24 1dif s ILE 72 N -1.48 0.86 0.00 0.00 1.01 -1.26 -0.89 121.20 119.44 1dif s ILE 72 Ca -0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 1dif s ILE 72 Cb -0.10 -1.01 0.00 0.00 0.01 0.00 0.00 42.46 41.36 1dif s ILE 72 CO -0.01 0.21 0.04 0.61 0.00 0.00 0.00 174.94 175.79 1dif n GLY 73 N 4.98 0.83 3.77 6.18 0.00 -0.05 -4.82 105.19 116.08 1dif n GLY 73 Ca -0.11 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.65 1dif n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dif s THR 74 N -2.28 4.52 -0.05 2.61 2.01 -1.26 -0.57 115.64 120.62 1dif s THR 74 Ca 0.01 1.61 0.01 0.00 0.31 0.00 0.00 61.69 63.63 1dif s THR 74 Cb -0.00 -4.10 0.02 0.00 0.01 0.00 0.00 72.50 68.43 1dif s THR 74 CO 0.00 0.49 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.66 1dif s VAL 75 N -0.86 0.75 -0.12 3.82 1.01 -0.45 -4.53 120.40 120.02 1dif s VAL 75 Ca 0.35 -0.25 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 1dif s VAL 75 Cb -0.22 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1dif s VAL 75 CO 0.24 0.27 0.20 -0.76 0.00 0.00 0.00 175.10 175.05 1dif s LEU 76 N 0.81 4.35 -0.11 3.92 1.43 -0.46 -0.72 118.68 127.91 1dif s LEU 76 Ca -0.13 0.50 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 1dif s LEU 76 Cb -0.15 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 43.88 1dif s LEU 76 CO 0.01 0.31 -0.23 -0.69 0.23 0.00 0.00 176.35 175.98 1dif s VAL 77 N -0.56 2.05 -0.03 -1.59 1.01 -0.13 -0.56 120.40 120.60 1dif s VAL 77 Ca 0.15 -1.01 -0.20 0.00 0.00 0.00 0.00 61.98 60.93 1dif s VAL 77 Cb -0.13 -1.79 0.07 0.00 0.00 0.00 0.00 36.38 34.53 1dif s VAL 77 CO 0.04 0.56 0.89 0.61 0.00 0.00 0.00 175.10 177.20 1dif n GLY 78 N 3.68 0.31 2.58 4.51 0.00 -0.27 -0.79 105.19 115.21 1dif n GLY 78 Ca -0.19 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 1dif n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dif n PRO 79 N -0.65 2.90 -2.90 1.61 -0.04 -1.26 -2.90 135.00 131.77 1dif n PRO 79 Ca 0.03 -2.15 -0.40 0.00 -0.04 0.00 0.00 63.50 60.95 1dif n PRO 79 Cb 0.40 -2.90 -0.06 0.00 -0.04 0.00 0.00 33.50 30.90 1dif n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1dif s THR 80 N 3.04 4.42 0.39 0.52 -1.32 -1.26 -4.96 115.64 116.46 1dif s THR 80 Ca 0.56 1.82 0.11 0.00 -1.21 0.00 0.00 61.69 62.97 1dif s THR 80 Cb 0.15 -4.20 0.33 0.00 -1.51 0.00 0.00 72.50 67.27 1dif s THR 80 CO -0.04 0.45 1.91 -0.65 -2.21 0.00 0.00 174.62 174.08 1dif h PRO 81 N 4.81 0.57 -3.70 7.08 0.11 -1.98 -3.43 132.00 135.46 1dif h PRO 81 Ca -0.45 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 1dif h PRO 81 Cb 1.21 -0.13 -0.20 0.00 0.11 0.00 0.00 31.00 31.99 1dif h PRO 81 CO 0.68 0.38 -0.55 0.54 -0.21 0.00 0.00 178.00 178.85 1dif s VAL 82 N -5.56 0.10 0.09 3.15 0.11 -1.26 -5.07 120.40 111.96 1dif s VAL 82 Ca -0.09 -0.86 -0.30 0.00 -2.93 0.00 0.00 61.98 57.79 1dif s VAL 82 Cb 0.21 -0.54 -0.06 0.00 -1.53 0.00 0.00 36.38 34.47 1dif s VAL 82 CO 0.77 -0.48 1.08 0.20 -3.33 0.00 0.00 175.10 173.34 1dif s ASN 83 N -1.63 7.28 -0.11 3.54 0.01 -1.26 -4.71 114.94 118.06 1dif s ASN 83 Ca -0.12 1.91 0.03 0.00 -0.71 0.00 0.00 52.86 53.97 1dif s ASN 83 Cb -0.06 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.02 1dif s ASN 83 CO -0.01 -0.28 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.49 1dif s ILE 84 N 0.48 1.69 -0.38 0.60 1.01 0.25 -0.56 121.20 124.30 1dif s ILE 84 Ca 0.52 -0.78 -0.14 0.00 0.00 0.00 0.00 60.65 60.26 1dif s ILE 84 Cb -0.26 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.70 1dif s ILE 84 CO 0.31 0.48 0.27 -0.63 0.00 0.00 0.00 174.94 175.36 1dif s ILE 85 N 0.74 5.26 0.36 2.92 -1.09 0.94 -1.78 121.20 128.55 1dif s ILE 85 Ca -0.11 -0.45 0.03 0.00 -2.23 0.00 0.00 60.65 57.90 1dif s ILE 85 Cb -0.16 -3.82 0.06 0.00 -1.58 0.00 0.00 42.46 36.97 1dif s ILE 85 CO 0.02 -0.16 0.50 0.61 -1.23 0.00 0.00 174.94 174.67 1dif n GLY 86 N 5.13 1.48 0.26 6.18 0.00 -1.13 -1.07 105.19 116.04 1dif n GLY 86 Ca -0.12 -2.12 0.10 0.00 0.00 0.00 0.00 46.02 43.89 1dif n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1dif h ARG 87 N 0.00 0.00 -0.99 1.61 3.08 -0.85 -1.40 114.38 115.84 1dif h ARG 87 Ca -0.17 0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.05 1dif h ARG 87 Cb 0.70 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.66 1dif h ARG 87 CO 0.21 0.09 0.62 -2.95 -1.07 0.00 0.00 179.97 176.86 1dif h ASN 88 N 0.00 0.79 0.04 7.04 -1.07 -1.74 -2.41 115.58 118.22 1dif h ASN 88 Ca -0.00 0.07 -0.25 0.00 0.07 0.00 0.00 56.30 56.19 1dif h ASN 88 Cb 0.18 -0.08 -0.05 0.00 -2.07 0.00 0.00 38.32 36.30 1dif h ASN 88 CO 0.01 0.35 -2.22 0.18 0.07 0.00 0.00 177.43 175.82 1dif n LEU 89 N -4.67 0.05 -0.22 6.14 4.77 -0.87 -4.23 117.00 117.96 1dif n LEU 89 Ca 0.21 0.02 0.03 0.00 -0.03 0.00 0.00 56.01 56.24 1dif n LEU 89 Cb 0.50 0.32 0.28 0.00 -2.33 0.00 0.00 43.42 42.20 1dif n LEU 89 CO 0.25 0.33 1.23 -0.07 -1.33 0.00 0.00 177.39 177.80 1dif h LEU 90 N 0.00 0.80 -1.30 2.23 3.38 -1.12 -2.10 115.31 117.19 1dif h LEU 90 Ca -0.36 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.53 1dif h LEU 90 Cb 1.83 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 1dif h LEU 90 CO 0.02 0.55 -0.35 0.71 0.09 0.00 0.00 178.44 179.46 1dif h THR 91 N 0.93 1.21 -0.55 0.22 1.35 -1.63 -1.56 112.91 112.87 1dif h THR 91 Ca 0.31 -1.21 -0.10 0.00 -0.55 0.00 0.00 66.41 64.86 1dif h THR 91 Cb 0.07 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.13 1dif h THR 91 CO -0.09 0.34 -0.06 1.56 -0.25 0.00 0.00 175.52 177.02 1dif h GLN 92 N 0.00 0.99 -0.13 4.72 4.20 -1.56 -2.63 115.11 120.71 1dif h GLN 92 Ca -0.00 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1dif h GLN 92 Cb 0.63 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1dif h GLN 92 CO 0.05 1.01 0.00 0.44 -0.67 0.00 0.00 178.83 179.66 1dif n ILE 93 N -4.16 0.16 -1.72 2.54 -5.35 -1.13 -4.92 119.36 104.78 1dif n ILE 93 Ca 0.02 -0.26 -0.00 0.00 -0.27 0.00 0.00 62.75 62.24 1dif n ILE 93 Cb 0.37 0.21 -0.00 0.00 -1.74 0.00 0.00 39.64 38.48 1dif n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dif n GLY 94 N 1.04 0.37 3.77 3.28 0.00 -0.99 -5.01 105.19 107.65 1dif n GLY 94 Ca 0.15 -0.93 -0.38 0.00 0.00 0.00 0.00 46.02 44.86 1dif n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dif s THR 96 N -1.44 1.03 -0.14 0.00 -4.23 -1.26 -4.77 115.64 104.83 1dif s THR 96 Ca 0.50 -2.01 -0.09 0.00 -1.18 0.00 0.00 61.69 58.91 1dif s THR 96 Cb -0.25 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 1dif s THR 96 CO 0.32 -0.78 0.16 -0.76 -0.54 0.00 0.00 174.62 173.02 1dif s LEU 97 N -3.11 4.33 -0.00 4.79 1.43 -1.26 -5.10 118.68 119.76 1dif s LEU 97 Ca 0.15 0.42 0.03 0.00 -1.03 0.00 0.00 54.13 53.70 1dif s LEU 97 Cb 0.03 -2.11 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 1dif s LEU 97 CO -0.01 0.32 -0.09 0.20 0.23 0.00 0.00 176.35 177.00 1dif s ASN 98 N -0.52 1.07 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.35 1dif s ASN 98 Ca 0.13 -0.18 0.00 0.00 -1.57 0.00 0.00 52.86 51.24 1dif s ASN 98 Cb -0.12 -0.11 0.00 0.00 -0.02 0.00 0.00 41.25 41.00 1dif s ASN 98 CO 0.03 0.10 0.00 2.22 -2.57 0.00 0.00 177.10 176.87