#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hte s GLN 2 N 0.00 4.44 -0.14 -0.52 -0.21 -1.26 -5.05 119.66 116.93 1hte s GLN 2 Ca 0.00 1.29 -0.06 0.00 0.02 0.00 0.00 55.36 56.61 1hte s GLN 2 Cb 0.00 -3.52 -0.04 0.00 1.00 0.00 0.00 33.01 30.46 1hte s GLN 2 CO 0.00 -0.21 0.06 0.42 -2.12 0.00 0.00 175.29 173.44 1hte s ILE 3 N 1.64 4.76 0.22 1.08 1.01 -1.26 -5.12 121.20 123.54 1hte s ILE 3 Ca 0.47 -0.06 0.05 0.00 0.00 0.00 0.00 60.65 61.10 1hte s ILE 3 Cb -0.19 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 1hte s ILE 3 CO 0.20 0.54 0.31 0.42 0.00 0.00 0.00 174.94 176.41 1hte s THR 4 N -0.30 5.13 -0.32 2.92 -4.23 -1.26 -5.01 115.64 112.56 1hte s THR 4 Ca 0.08 -0.99 0.08 0.00 -1.18 0.00 0.00 61.69 59.69 1hte s THR 4 Cb -0.12 -3.75 0.56 0.00 1.34 0.00 0.00 72.50 70.53 1hte s THR 4 CO 0.02 -0.27 1.59 0.18 -0.54 0.00 0.00 174.62 175.59 1hte n LEU 5 N -1.15 4.83 -0.18 4.79 4.77 -1.26 -4.39 117.00 124.42 1hte n LEU 5 Ca -0.08 -3.64 -0.06 0.00 -0.03 0.00 0.00 56.01 52.19 1hte n LEU 5 Cb 0.56 -0.68 0.10 0.00 -2.33 0.00 0.00 43.42 41.07 1hte n LEU 5 CO 0.45 1.14 0.89 -0.50 -1.33 0.00 0.00 177.39 178.04 1hte h TRP 6 N 1.17 1.02 -3.70 -1.77 4.06 -2.06 -3.43 115.95 111.24 1hte h TRP 6 Ca 0.30 -0.14 -0.60 0.00 2.06 0.00 0.00 58.89 60.51 1hte h TRP 6 Cb 1.97 -0.28 -0.21 0.00 -1.00 0.00 0.00 29.16 29.64 1hte h TRP 6 CO 1.14 0.89 -0.83 -0.65 -3.56 0.00 0.00 178.44 175.43 1hte s GLN 7 N -5.09 1.27 0.15 0.49 1.11 -1.26 -5.10 119.66 111.23 1hte s GLN 7 Ca -0.11 -1.30 -0.34 0.00 0.01 0.00 0.00 55.36 53.62 1hte s GLN 7 Cb 0.14 -1.57 -0.15 0.00 -1.01 0.00 0.00 33.01 30.43 1hte s GLN 7 CO 0.83 0.35 1.38 -2.13 0.01 0.00 0.00 175.29 175.73 1hte n ARG 8 N 0.78 1.55 -2.50 2.91 0.63 -1.26 -4.86 116.66 113.91 1hte n ARG 8 Ca -0.17 0.56 -0.42 0.00 -0.92 0.00 0.00 57.85 56.90 1hte n ARG 8 Cb 0.54 -2.20 -0.00 0.00 0.45 0.00 0.00 32.46 31.25 1hte n ARG 8 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1hte n PRO 9 N 2.52 3.07 -3.80 -0.14 -0.04 -1.26 -5.00 135.00 130.34 1hte n PRO 9 Ca 0.16 -3.19 -0.36 0.00 -0.04 0.00 0.00 63.50 60.07 1hte n PRO 9 Cb 0.25 -3.51 -0.10 0.00 -0.04 0.00 0.00 33.50 30.10 1hte n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hte s LEU 10 N 4.60 3.94 0.29 1.53 1.43 -1.26 -1.74 118.68 127.47 1hte s LEU 10 Ca 0.55 0.08 0.10 0.00 -1.03 0.00 0.00 54.13 53.82 1hte s LEU 10 Cb 0.04 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 1hte s LEU 10 CO 0.08 0.11 -0.15 0.68 0.23 0.00 0.00 176.35 177.30 1hte s VAL 11 N 0.80 2.21 0.39 -1.59 -7.23 0.16 -4.95 120.40 110.18 1hte s VAL 11 Ca 0.06 -2.29 -0.24 0.00 -1.81 0.00 0.00 61.98 57.70 1hte s VAL 11 Cb -0.13 -2.38 -0.10 0.00 0.56 0.00 0.00 36.38 34.33 1hte s VAL 11 CO 0.02 -0.36 0.98 -0.89 -0.31 0.00 0.00 175.10 174.55 1hte s THR 12 N -2.66 4.08 -0.02 5.32 2.01 -1.26 -1.89 115.64 121.22 1hte s THR 12 Ca 0.30 1.54 0.03 0.00 0.31 0.00 0.00 61.69 63.86 1hte s THR 12 Cb -0.01 -3.76 -0.00 0.00 0.01 0.00 0.00 72.50 68.73 1hte s THR 12 CO 0.14 -0.05 -0.09 0.27 -0.69 0.00 0.00 174.62 174.20 1hte s ILE 13 N -1.80 0.77 -0.20 1.82 -5.25 0.87 -1.22 121.20 116.19 1hte s ILE 13 Ca 0.57 -0.39 -0.04 0.00 -0.99 0.00 0.00 60.65 59.79 1hte s ILE 13 Cb -0.17 -0.67 -0.02 0.00 2.95 0.00 0.00 42.46 44.56 1hte s ILE 13 CO 0.22 0.23 -0.03 -0.75 -1.79 0.00 0.00 174.94 172.82 1hte s LYS 14 N -0.05 3.50 -0.01 0.37 2.20 -0.48 -1.76 119.74 123.52 1hte s LYS 14 Ca 0.01 -0.58 0.01 0.00 -0.36 0.00 0.00 55.97 55.06 1hte s LYS 14 Cb -0.06 -3.02 -0.00 0.00 -1.51 0.00 0.00 37.83 33.24 1hte s LYS 14 CO -0.00 -0.06 -0.04 -1.50 -0.36 0.00 0.00 175.35 173.39 1hte s ILE 15 N 1.15 0.33 -0.67 5.43 1.10 0.91 -2.33 121.20 127.13 1hte s ILE 15 Ca 0.02 -0.16 -0.10 0.00 -0.51 0.00 0.00 60.65 59.90 1hte s ILE 15 Cb -0.15 -0.30 0.01 0.00 0.15 0.00 0.00 42.46 42.18 1hte s ILE 15 CO 0.00 0.10 0.19 0.61 -2.11 0.00 0.00 174.94 173.73 1hte n GLY 16 N 3.10 -0.26 0.00 1.50 0.00 -1.26 -0.91 105.19 107.37 1hte n GLY 16 Ca -0.14 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1hte n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hte n GLY 17 N -1.63 1.93 2.24 -0.02 0.00 -1.26 -5.00 105.19 101.44 1hte n GLY 17 Ca -0.10 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 1hte n GLY 17 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1hte n GLN 18 N 0.00 0.00 -3.83 1.61 6.02 -0.09 -4.96 117.38 116.13 1hte n GLN 18 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 1hte n GLN 18 Cb 0.00 -0.67 -0.13 0.00 1.02 0.00 0.00 30.24 30.46 1hte n GLN 18 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1hte s LEU 19 N 2.59 4.06 0.42 1.08 1.43 -1.26 -0.07 118.68 126.94 1hte s LEU 19 Ca 0.41 -1.18 0.06 0.00 -1.03 0.00 0.00 54.13 52.39 1hte s LEU 19 Cb -0.50 -1.79 -0.07 0.00 0.03 0.00 0.00 46.19 43.87 1hte s LEU 19 CO 0.40 -0.28 0.01 -0.54 0.23 0.00 0.00 176.35 176.17 1hte s LYS 20 N 1.33 1.98 0.05 1.70 1.02 -0.72 -5.00 119.74 120.11 1hte s LYS 20 Ca -0.03 -2.15 0.04 0.00 0.02 0.00 0.00 55.97 53.84 1hte s LYS 20 Cb -0.19 -1.56 -0.02 0.00 -0.52 0.00 0.00 37.83 35.53 1hte s LYS 20 CO 0.01 -0.12 -0.11 -1.83 -0.92 0.00 0.00 175.35 172.38 1hte s GLU 21 N -3.75 0.71 0.15 1.68 -1.05 -1.26 -0.09 118.70 115.09 1hte s GLU 21 Ca 0.30 -0.77 0.03 0.00 -0.15 0.00 0.00 54.97 54.37 1hte s GLU 21 Cb 0.08 -0.63 -0.04 0.00 -0.44 0.00 0.00 34.13 33.10 1hte s GLU 21 CO 0.15 0.14 -0.05 0.00 0.95 0.00 0.00 175.26 176.45 1hte s ALA 22 N -1.11 1.32 -0.24 -0.84 0.00 -0.79 -4.44 121.76 115.66 1hte s ALA 22 Ca -0.04 -1.51 -0.10 0.00 0.00 0.00 0.00 51.96 50.32 1hte s ALA 22 Cb -0.09 0.28 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 1hte s ALA 22 CO 0.01 -0.22 0.14 -1.17 0.00 0.00 0.00 175.76 174.52 1hte s LEU 23 N -3.15 4.00 -0.40 0.00 2.96 -1.07 0.39 118.68 121.41 1hte s LEU 23 Ca 0.19 0.06 -0.29 0.00 -0.22 0.00 0.00 54.13 53.87 1hte s LEU 23 Cb 0.05 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.69 1hte s LEU 23 CO 0.01 0.06 1.20 -0.76 -1.32 0.00 0.00 176.35 175.54 1hte s LEU 24 N 1.09 3.74 -0.17 -0.68 1.43 -0.71 -0.26 118.68 123.12 1hte s LEU 24 Ca 0.07 0.79 -0.04 0.00 -1.03 0.00 0.00 54.13 53.92 1hte s LEU 24 Cb -0.14 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.60 1hte s LEU 24 CO 0.05 -1.17 0.07 -0.62 0.23 0.00 0.00 176.35 174.91 1hte s ASP 25 N 2.58 2.44 0.00 2.29 2.15 -0.45 -4.79 116.67 120.88 1hte s ASP 25 Ca 0.51 -0.63 0.20 0.00 0.43 0.00 0.00 52.55 53.06 1hte s ASP 25 Cb -0.11 -0.33 0.98 0.00 -0.30 0.00 0.00 42.92 43.16 1hte s ASP 25 CO 0.27 -0.33 1.64 0.35 -0.17 0.00 0.00 175.17 176.92 1hte n THR 26 N 5.22 0.44 0.01 1.71 -2.24 -1.26 -2.43 114.28 115.73 1hte n THR 26 Ca -0.07 0.11 -0.01 0.00 -2.27 0.00 0.00 64.05 61.81 1hte n THR 26 Cb 0.49 -0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 67.84 1hte n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hte n GLY 27 N 0.46 -1.14 3.70 3.38 0.00 -1.26 -4.82 105.19 105.51 1hte n GLY 27 Ca 0.08 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1hte n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hte s ALA 28 N -2.90 3.45 -0.00 4.61 0.00 -1.02 -4.97 121.76 120.93 1hte s ALA 28 Ca -0.04 -0.11 -0.25 0.00 0.00 0.00 0.00 51.96 51.55 1hte s ALA 28 Cb 0.09 -2.84 -0.19 0.00 0.00 0.00 0.00 23.12 20.17 1hte s ALA 28 CO 0.82 -0.20 1.33 -0.44 0.00 0.00 0.00 175.76 177.28 1hte h ASP 29 N 6.97 0.02 -0.90 0.00 3.32 -1.88 1.14 116.42 125.09 1hte h ASP 29 Ca -0.38 -0.42 -0.60 0.00 0.02 0.00 0.00 57.03 55.64 1hte h ASP 29 Cb 1.17 -0.01 -0.09 0.00 0.22 0.00 0.00 39.33 40.63 1hte h ASP 29 CO 0.76 0.44 -0.44 -1.81 -1.72 0.00 0.00 179.24 176.47 1hte s ASP 30 N -5.65 4.40 -0.21 6.45 1.01 -1.26 -2.56 116.67 118.85 1hte s ASP 30 Ca -0.15 -1.30 -0.08 0.00 0.71 0.00 0.00 52.55 51.73 1hte s ASP 30 Cb 0.02 0.11 -0.04 0.00 1.01 0.00 0.00 42.92 44.03 1hte s ASP 30 CO 0.68 -0.82 0.07 -0.89 0.21 0.00 0.00 175.17 174.42 1hte s THR 31 N -2.74 4.68 -0.02 -1.27 2.01 -1.26 -3.36 115.64 113.69 1hte s THR 31 Ca 0.29 -0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.27 1hte s THR 31 Cb 0.01 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 1hte s THR 31 CO 0.17 0.41 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.67 1hte s VAL 32 N 0.83 3.07 0.18 3.82 1.01 -0.62 -0.38 120.40 128.31 1hte s VAL 32 Ca 0.04 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.23 1hte s VAL 32 Cb -0.14 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1hte s VAL 32 CO 0.02 0.49 -0.16 -0.76 0.00 0.00 0.00 175.10 174.70 1hte s LEU 33 N -1.04 2.50 0.58 3.92 1.43 -0.17 0.07 118.68 125.97 1hte s LEU 33 Ca 0.13 -0.94 -0.20 0.00 -1.03 0.00 0.00 54.13 52.09 1hte s LEU 33 Cb -0.11 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 1hte s LEU 33 CO 0.03 -0.13 1.23 -0.62 0.23 0.00 0.00 176.35 177.10 1hte n GLU 34 N -0.05 1.33 -1.71 1.70 -0.58 -1.26 -2.11 120.64 117.95 1hte n GLU 34 Ca -0.11 0.50 -0.60 0.00 -0.42 0.00 0.00 57.16 56.54 1hte n GLU 34 Cb 0.59 -2.44 -0.08 0.00 -0.57 0.00 0.00 31.44 28.94 1hte n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1hte n GLU 35 N -1.20 0.89 -3.34 3.49 4.07 -0.89 -4.58 120.64 119.09 1hte n GLU 35 Ca 0.13 0.33 -0.10 0.00 -0.06 0.00 0.00 57.16 57.46 1hte n GLU 35 Cb 0.46 -1.97 -0.00 0.00 -0.06 0.00 0.00 31.44 29.87 1hte n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1hte n MET 36 N 4.93 0.71 -3.91 5.31 0.00 -1.26 -5.01 117.12 117.88 1hte n MET 36 Ca 0.27 -2.01 -0.30 0.00 0.00 0.00 0.00 57.70 55.66 1hte n MET 36 Cb 0.09 2.16 -0.16 0.00 0.00 0.00 0.00 33.22 35.31 1hte n MET 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1hte s SER 37 N -2.68 3.78 0.43 3.17 0.01 -1.26 -4.98 113.70 112.18 1hte s SER 37 Ca 0.18 -1.20 -0.07 0.00 1.31 0.00 0.00 55.95 56.18 1hte s SER 37 Cb -0.02 -1.11 -0.05 0.00 0.21 0.00 0.00 66.02 65.05 1hte s SER 37 CO 0.13 -0.26 0.75 -0.76 0.41 0.00 0.00 173.24 173.52 1hte s LEU 38 N 1.44 3.75 0.01 2.44 1.43 -1.26 -5.06 118.68 121.44 1hte s LEU 38 Ca -0.04 0.97 -0.23 0.00 -1.03 0.00 0.00 54.13 53.80 1hte s LEU 38 Cb -0.19 -3.89 -0.05 0.00 0.03 0.00 0.00 46.19 42.10 1hte s LEU 38 CO -0.07 -0.47 0.69 -2.16 0.23 0.00 0.00 176.35 174.57 1hte s PRO 39 N -4.29 4.42 0.00 1.29 0.05 -1.26 -4.90 135.00 130.31 1hte s PRO 39 Ca 0.48 0.92 0.00 0.00 0.05 0.00 0.00 61.00 62.45 1hte s PRO 39 Cb -0.10 -3.36 0.00 0.00 0.05 0.00 0.00 34.50 31.08 1hte s PRO 39 CO 0.38 0.29 0.00 0.41 0.05 0.00 0.00 177.00 178.13 1hte n GLY 40 N 2.49 -0.55 3.83 0.56 0.00 -1.26 -5.00 105.19 105.25 1hte n GLY 40 Ca -0.04 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.50 1hte n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hte s ARG 41 N 0.00 3.05 0.23 1.61 0.52 -1.26 -5.11 118.95 118.00 1hte s ARG 41 Ca 0.00 -0.68 0.11 0.00 -0.52 0.00 0.00 55.73 54.64 1hte s ARG 41 Cb 0.00 -2.79 -0.05 0.00 0.52 0.00 0.00 34.95 32.63 1hte s ARG 41 CO 0.00 0.55 -0.16 1.67 0.02 0.00 0.00 175.30 177.38 1hte s TRP 42 N -1.54 2.43 -0.15 -0.53 1.48 -1.25 -4.64 118.94 114.74 1hte s TRP 42 Ca 0.31 -0.30 0.00 0.00 -1.06 0.00 0.00 56.10 55.06 1hte s TRP 42 Cb -0.12 -1.13 -0.00 0.00 -1.16 0.00 0.00 33.47 31.07 1hte s TRP 42 CO 0.24 0.60 -0.15 0.21 -4.06 0.00 0.00 176.95 173.79 1hte s LYS 43 N -3.18 3.21 0.39 3.25 2.20 -0.90 -4.89 119.74 119.83 1hte s LYS 43 Ca 0.27 -0.75 -0.26 0.00 -0.36 0.00 0.00 55.97 54.86 1hte s LYS 43 Cb -0.07 -2.62 -0.09 0.00 -1.51 0.00 0.00 37.83 33.54 1hte s LYS 43 CO 0.14 0.01 1.24 -2.14 -0.36 0.00 0.00 175.35 174.25 1hte s PRO 44 N 0.82 4.05 0.08 4.03 0.02 -1.26 0.88 135.00 143.61 1hte s PRO 44 Ca -0.05 2.03 -0.10 0.00 0.02 0.00 0.00 61.00 62.90 1hte s PRO 44 Cb -0.15 -2.76 0.00 0.00 0.02 0.00 0.00 34.50 31.61 1hte s PRO 44 CO -0.00 -0.38 0.21 0.21 -0.33 0.00 0.00 177.00 176.70 1hte s LYS 45 N -2.20 0.82 -0.20 5.54 2.20 -1.16 -4.91 119.74 119.84 1hte s LYS 45 Ca 0.56 -0.84 0.01 0.00 -0.36 0.00 0.00 55.97 55.34 1hte s LYS 45 Cb -0.35 0.34 0.03 0.00 -1.51 0.00 0.00 37.83 36.33 1hte s LYS 45 CO 0.45 -0.26 -0.17 -1.64 -0.36 0.00 0.00 175.35 173.37 1hte s MET 46 N -3.47 2.83 -0.10 4.03 -1.94 -1.26 -1.74 119.30 117.65 1hte s MET 46 Ca 0.02 -0.95 -0.00 0.00 -1.71 0.00 0.00 55.69 53.05 1hte s MET 46 Cb 0.03 -2.67 -0.03 0.00 2.01 0.00 0.00 34.83 34.18 1hte s MET 46 CO -0.09 -0.30 -0.08 0.96 -0.01 0.00 0.00 175.02 175.50 1hte s ILE 47 N 1.25 3.54 0.05 2.53 -4.36 -0.15 -4.91 121.20 119.15 1hte s ILE 47 Ca 0.02 -0.52 0.04 0.00 -0.26 0.00 0.00 60.65 59.93 1hte s ILE 47 Cb -0.15 -2.47 -0.02 0.00 1.25 0.00 0.00 42.46 41.07 1hte s ILE 47 CO -0.11 0.56 -0.13 -0.83 0.24 0.00 0.00 174.94 174.68 1hte s GLY 48 N -0.30 0.74 0.00 6.27 0.00 -1.26 -0.41 107.32 112.36 1hte s GLY 48 Ca 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.90 1hte s GLY 48 CO 0.02 -0.87 0.00 0.61 0.00 0.00 0.00 173.10 172.87 1hte n GLY 49 N 1.62 4.05 3.66 0.20 0.00 -0.60 -4.87 105.19 109.25 1hte n GLY 49 Ca -0.20 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 1hte n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hte s ILE 50 N 3.80 4.65 0.00 -0.61 1.01 -1.26 -2.51 121.20 126.28 1hte s ILE 50 Ca 0.00 1.99 0.00 0.00 0.00 0.00 0.00 60.65 62.64 1hte s ILE 50 Cb 0.00 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1hte s ILE 50 CO 0.00 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.40 1hte n GLY 51 N 3.32 0.76 2.06 6.18 0.00 -1.26 -4.95 105.19 111.30 1hte n GLY 51 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1hte n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hte n GLY 52 N -2.22 -1.80 3.82 -0.02 0.00 -1.04 -5.01 105.19 98.91 1hte n GLY 52 Ca 0.00 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 1hte n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hte s PHE 53 N 0.00 3.72 0.25 1.61 0.40 -1.26 -1.55 117.98 121.15 1hte s PHE 53 Ca 0.00 1.30 0.06 0.00 -0.60 0.00 0.00 56.93 57.69 1hte s PHE 53 Cb 0.00 -2.53 -0.05 0.00 0.51 0.00 0.00 43.02 40.94 1hte s PHE 53 CO 0.00 0.46 -0.06 0.96 0.70 0.00 0.00 175.22 177.28 1hte s ILE 54 N -1.34 1.51 -0.38 0.64 -4.36 0.45 -4.94 121.20 112.78 1hte s ILE 54 Ca 0.36 -2.11 -0.11 0.00 -0.26 0.00 0.00 60.65 58.53 1hte s ILE 54 Cb -0.18 -2.35 0.03 0.00 1.25 0.00 0.00 42.46 41.21 1hte s ILE 54 CO 0.20 -0.36 0.22 -0.75 0.24 0.00 0.00 174.94 174.50 1hte s LYS 55 N -3.75 2.80 0.33 0.37 2.36 -1.26 -0.98 119.74 119.61 1hte s LYS 55 Ca 0.28 -1.13 0.07 0.00 -2.55 0.00 0.00 55.97 52.64 1hte s LYS 55 Cb 0.04 -3.76 -0.03 0.00 -1.05 0.00 0.00 37.83 33.03 1hte s LYS 55 CO 0.10 -0.74 0.27 0.14 1.55 0.00 0.00 175.35 176.67 1hte s VAL 56 N 1.54 3.57 -0.22 4.02 -7.23 -0.71 -4.58 120.40 116.79 1hte s VAL 56 Ca 0.02 -1.40 -0.02 0.00 -1.81 0.00 0.00 61.98 58.77 1hte s VAL 56 Cb -0.20 -3.19 0.01 0.00 0.56 0.00 0.00 36.38 33.57 1hte s VAL 56 CO 0.06 -0.19 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.45 1hte s ARG 57 N -3.97 3.12 0.12 4.82 0.52 0.27 -2.96 118.95 120.86 1hte s ARG 57 Ca 0.40 -0.78 -0.28 0.00 -0.52 0.00 0.00 55.73 54.55 1hte s ARG 57 Cb -0.06 -2.90 -0.06 0.00 0.52 0.00 0.00 34.95 32.45 1hte s ARG 57 CO 0.26 -0.26 0.87 -1.14 0.02 0.00 0.00 175.30 175.05 1hte s GLN 58 N 1.39 4.64 -0.07 3.54 0.74 0.25 -0.86 119.66 129.29 1hte s GLN 58 Ca 0.04 1.29 -0.00 0.00 0.05 0.00 0.00 55.36 56.73 1hte s GLN 58 Cb -0.15 -3.34 0.03 0.00 1.10 0.00 0.00 33.01 30.65 1hte s GLN 58 CO -0.06 0.33 -0.03 0.71 -0.55 0.00 0.00 175.29 175.69 1hte s TYR 59 N -0.35 0.86 0.26 1.67 1.51 -0.63 -2.12 117.35 118.55 1hte s TYR 59 Ca 0.42 -0.29 -0.05 0.00 -1.01 0.00 0.00 57.07 56.13 1hte s TYR 59 Cb -0.23 -0.85 -0.05 0.00 -0.11 0.00 0.00 41.96 40.72 1hte s TYR 59 CO 0.27 -0.32 0.52 -0.51 -1.11 0.00 0.00 175.55 174.40 1hte s ASP 60 N 1.59 6.46 -1.10 2.29 1.01 -1.26 -0.34 116.67 125.32 1hte s ASP 60 Ca -0.00 0.68 -0.24 0.00 0.71 0.00 0.00 52.55 53.70 1hte s ASP 60 Cb -0.13 -2.13 0.02 0.00 1.01 0.00 0.00 42.92 41.69 1hte s ASP 60 CO -0.04 -0.14 0.69 0.00 0.21 0.00 0.00 175.17 175.89 1hte n GLN 61 N -0.72 -0.74 -3.60 8.23 6.02 -1.16 -4.85 117.38 120.56 1hte n GLN 61 Ca -0.02 0.34 -0.36 0.00 -0.01 0.00 0.00 57.00 56.95 1hte n GLN 61 Cb 0.54 -2.90 -0.07 0.00 1.02 0.00 0.00 30.24 28.82 1hte n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1hte s ILE 62 N -3.39 5.34 -0.28 5.09 -1.09 0.43 -4.66 121.20 122.65 1hte s ILE 62 Ca 0.38 0.42 -0.25 0.00 -2.23 0.00 0.00 60.65 58.96 1hte s ILE 62 Cb -0.19 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 1hte s ILE 62 CO 0.93 0.40 0.85 -0.22 -1.23 0.00 0.00 174.94 175.67 1hte s LEU 63 N 0.49 4.06 -0.01 2.97 2.96 -1.26 -2.57 118.68 125.33 1hte s LEU 63 Ca 0.13 0.90 0.04 0.00 -0.22 0.00 0.00 54.13 54.98 1hte s LEU 63 Cb -0.12 -3.20 -0.03 0.00 0.50 0.00 0.00 46.19 43.33 1hte s LEU 63 CO 0.02 -0.61 -0.09 -0.63 -1.32 0.00 0.00 176.35 173.71 1hte s ILE 64 N 3.01 3.45 -0.64 6.68 1.01 -0.16 -4.81 121.20 129.74 1hte s ILE 64 Ca 0.36 -0.79 -0.04 0.00 0.00 0.00 0.00 60.65 60.17 1hte s ILE 64 Cb -0.14 -2.46 0.17 0.00 0.01 0.00 0.00 42.46 40.03 1hte s ILE 64 CO 0.10 0.44 0.48 -0.70 0.00 0.00 0.00 174.94 175.26 1hte s GLU 65 N -1.24 2.69 -0.98 2.79 2.12 -0.98 -1.13 118.70 121.96 1hte s GLU 65 Ca 0.15 -2.49 -0.23 0.00 0.36 0.00 0.00 54.97 52.76 1hte s GLU 65 Cb -0.11 -3.83 0.04 0.00 0.26 0.00 0.00 34.13 30.49 1hte s GLU 65 CO 0.05 -1.19 1.49 0.42 -0.54 0.00 0.00 175.26 175.50 1hte s ILE 66 N 0.02 3.85 -1.13 -3.70 1.01 0.21 -1.38 121.20 120.08 1hte s ILE 66 Ca 0.17 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.19 1hte s ILE 66 Cb -0.19 -4.93 0.00 0.00 0.01 0.00 0.00 42.46 37.35 1hte s ILE 66 CO -0.04 -1.82 0.94 0.00 0.00 0.00 0.00 174.94 174.02 1hte n GLY 68 N -1.17 3.02 3.75 0.00 0.00 -1.26 -5.03 105.19 104.50 1hte n GLY 68 Ca -0.25 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 1hte n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hte s HIS 69 N -0.33 3.73 0.41 1.61 3.76 -1.23 -4.98 115.29 118.25 1hte s HIS 69 Ca 0.00 1.40 -0.21 0.00 -0.15 0.00 0.00 55.06 56.10 1hte s HIS 69 Cb 0.00 -2.75 -0.11 0.00 1.11 0.00 0.00 32.58 30.84 1hte s HIS 69 CO 0.00 0.32 0.93 0.15 -0.85 0.00 0.00 174.74 175.29 1hte s LYS 70 N -0.19 4.24 -0.24 1.40 1.02 -1.26 0.65 119.74 125.36 1hte s LYS 70 Ca 0.36 1.09 -0.12 0.00 0.02 0.00 0.00 55.97 57.32 1hte s LYS 70 Cb -0.20 -2.27 0.08 0.00 -0.52 0.00 0.00 37.83 34.92 1hte s LYS 70 CO 0.21 0.02 0.57 0.00 -0.92 0.00 0.00 175.35 175.23 1hte s ALA 71 N -2.10 -1.58 0.25 5.17 0.00 -0.28 -4.72 121.76 118.50 1hte s ALA 71 Ca 0.60 2.04 -0.01 0.00 0.00 0.00 0.00 51.96 54.58 1hte s ALA 71 Cb -0.10 -1.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 1hte s ALA 71 CO 0.15 -0.49 0.46 -1.50 0.00 0.00 0.00 175.76 174.37 1hte s ILE 72 N 1.92 5.14 0.00 0.00 2.07 -1.26 -0.99 121.20 128.08 1hte s ILE 72 Ca -0.08 -0.30 0.00 0.00 -1.41 0.00 0.00 60.65 58.86 1hte s ILE 72 Cb -0.08 -3.76 0.00 0.00 0.13 0.00 0.00 42.46 38.75 1hte s ILE 72 CO -0.17 -0.29 0.00 0.61 -1.91 0.00 0.00 174.94 173.18 1hte n GLY 73 N -0.97 -0.19 3.76 1.50 0.00 -1.06 -4.85 105.19 103.37 1hte n GLY 73 Ca -0.04 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 1hte n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hte s THR 74 N -1.92 2.71 -0.05 2.61 2.01 -1.26 0.16 115.64 119.90 1hte s THR 74 Ca 0.00 0.65 0.02 0.00 0.31 0.00 0.00 61.69 62.68 1hte s THR 74 Cb 0.00 -3.42 0.01 0.00 0.01 0.00 0.00 72.50 69.11 1hte s THR 74 CO 0.00 0.13 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.26 1hte s VAL 75 N -0.58 1.01 -0.13 3.82 1.01 0.53 -4.44 120.40 121.63 1hte s VAL 75 Ca 0.54 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 62.01 1hte s VAL 75 Cb -0.41 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1hte s VAL 75 CO 0.48 0.32 0.15 -0.76 0.00 0.00 0.00 175.10 175.30 1hte s LEU 76 N 0.56 4.35 -0.27 3.92 1.43 0.49 -1.61 118.68 127.55 1hte s LEU 76 Ca -0.11 0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 53.39 1hte s LEU 76 Cb -0.14 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 43.99 1hte s LEU 76 CO 0.03 0.35 0.01 -0.69 0.23 0.00 0.00 176.35 176.27 1hte s VAL 77 N -0.71 3.40 0.26 -1.59 1.01 -0.04 -0.99 120.40 121.75 1hte s VAL 77 Ca 0.14 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.17 1hte s VAL 77 Cb -0.12 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.54 1hte s VAL 77 CO 0.03 0.13 0.48 0.61 0.00 0.00 0.00 175.10 176.35 1hte n GLY 78 N 4.76 1.68 2.48 4.51 0.00 -0.90 -0.56 105.19 117.15 1hte n GLY 78 Ca -0.15 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 1hte n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1hte n PRO 79 N -0.38 1.34 -3.24 1.61 -0.02 -1.26 -2.09 135.00 130.96 1hte n PRO 79 Ca -0.04 -0.89 -0.32 0.00 -2.02 0.00 0.00 63.50 60.24 1hte n PRO 79 Cb 0.41 -2.06 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 1hte n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1hte s THR 80 N 2.89 4.82 0.29 3.45 -1.32 -1.26 -4.98 115.64 119.52 1hte s THR 80 Ca 0.32 0.66 -0.02 0.00 -1.21 0.00 0.00 61.69 61.44 1hte s THR 80 Cb 0.12 -3.63 0.27 0.00 -1.51 0.00 0.00 72.50 67.74 1hte s THR 80 CO -0.01 -0.18 1.93 1.55 -2.21 0.00 0.00 174.62 175.70 1hte h PRO 81 N 2.25 1.12 -2.82 7.08 0.13 -1.95 -3.44 132.00 134.36 1hte h PRO 81 Ca -0.47 -0.07 -0.13 0.00 -0.87 0.00 0.00 66.00 64.46 1hte h PRO 81 Cb 1.17 -0.25 -0.24 0.00 0.13 0.00 0.00 31.00 31.81 1hte h PRO 81 CO 0.67 0.74 -0.26 0.54 -0.23 0.00 0.00 178.00 179.46 1hte s VAL 82 N -5.97 0.01 0.27 1.56 0.11 -1.26 -5.10 120.40 110.01 1hte s VAL 82 Ca -0.12 -0.05 -0.30 0.00 -2.93 0.00 0.00 61.98 58.58 1hte s VAL 82 Cb 0.19 -0.55 -0.13 0.00 -1.53 0.00 0.00 36.38 34.35 1hte s VAL 82 CO 0.80 -0.03 1.36 0.59 -3.33 0.00 0.00 175.10 174.49 1hte n ASN 83 N 2.68 2.70 -4.18 3.54 3.02 -1.26 -4.78 115.26 116.98 1hte n ASN 83 Ca -0.14 1.16 -0.32 0.00 -0.03 0.00 0.00 54.58 55.25 1hte n ASN 83 Cb 0.57 -1.44 -0.17 0.00 -0.61 0.00 0.00 39.78 38.14 1hte n ASN 83 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1hte s ILE 84 N -0.39 2.08 -0.49 2.41 1.01 0.11 -2.60 121.20 123.34 1hte s ILE 84 Ca 0.64 -0.98 -0.17 0.00 0.00 0.00 0.00 60.65 60.14 1hte s ILE 84 Cb -0.63 -1.83 0.07 0.00 0.01 0.00 0.00 42.46 40.08 1hte s ILE 84 CO 0.54 0.55 0.50 -0.63 0.00 0.00 0.00 174.94 175.89 1hte s ILE 85 N 0.76 5.07 0.62 2.92 -1.09 0.64 -1.59 121.20 128.53 1hte s ILE 85 Ca -0.08 -0.80 0.04 0.00 -2.23 0.00 0.00 60.65 57.57 1hte s ILE 85 Cb -0.16 -4.20 0.09 0.00 -1.58 0.00 0.00 42.46 36.61 1hte s ILE 85 CO -0.01 -0.68 0.85 -0.83 -1.23 0.00 0.00 174.94 173.05 1hte s GLY 86 N 2.64 1.78 0.59 6.18 0.00 -1.21 -1.35 107.32 115.94 1hte s GLY 86 Ca 0.09 -1.80 0.30 0.00 0.00 0.00 0.00 44.72 43.32 1hte s GLY 86 CO 0.09 -1.34 1.68 3.21 0.00 0.00 0.00 173.10 176.74 1hte h ARG 87 N -0.10 0.00 0.44 2.90 3.08 0.13 -1.97 114.38 118.85 1hte h ARG 87 Ca -0.35 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.67 1hte h ARG 87 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1hte h ARG 87 CO 0.43 0.00 -0.21 -2.95 -1.07 0.00 0.00 179.97 176.17 1hte h ASN 88 N 0.00 -0.49 0.73 7.04 -1.07 -1.74 -3.17 115.58 116.87 1hte h ASN 88 Ca 0.39 -0.03 -0.23 0.00 0.07 0.00 0.00 56.30 56.50 1hte h ASN 88 Cb 2.02 0.13 -0.04 0.00 -2.07 0.00 0.00 38.32 38.36 1hte h ASN 88 CO -0.00 -0.29 -1.39 -0.07 0.07 0.00 0.00 177.43 175.75 1hte h LEU 89 N -0.67 0.00 -0.36 6.14 3.38 -1.70 -3.39 115.31 118.72 1hte h LEU 89 Ca -0.06 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.99 1hte h LEU 89 Cb 0.49 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.16 1hte h LEU 89 CO 0.10 0.88 -0.22 -0.07 0.09 0.00 0.00 178.44 179.21 1hte h LEU 90 N 0.00 -0.75 -1.53 1.67 3.38 -1.42 -0.03 115.31 116.63 1hte h LEU 90 Ca -0.17 0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1hte h LEU 90 Cb 1.82 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 42.93 1hte h LEU 90 CO 0.08 -0.25 0.27 0.71 0.09 0.00 0.00 178.44 179.34 1hte h THR 91 N -0.17 1.12 -0.68 0.22 1.35 -1.76 -0.13 112.91 112.86 1hte h THR 91 Ca 0.18 -0.26 0.05 0.00 -0.55 0.00 0.00 66.41 65.83 1hte h THR 91 Cb 0.45 0.50 -0.05 0.00 -1.73 0.00 0.00 68.15 67.31 1hte h THR 91 CO -0.46 0.13 0.39 1.56 -0.25 0.00 0.00 175.52 176.88 1hte h GLN 92 N 0.60 0.70 -0.65 4.72 1.08 -1.21 -0.13 115.11 120.24 1hte h GLN 92 Ca 0.16 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1hte h GLN 92 Cb -0.04 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.23 1hte h GLN 92 CO -0.03 0.47 0.00 0.44 -0.95 0.00 0.00 178.83 178.75 1hte n ILE 93 N -4.76 1.88 -3.85 2.54 -5.35 -0.85 -4.92 119.36 104.04 1hte n ILE 93 Ca 0.08 -1.06 -0.25 0.00 -0.27 0.00 0.00 62.75 61.25 1hte n ILE 93 Cb 0.15 -0.13 0.01 0.00 -1.74 0.00 0.00 39.64 37.94 1hte n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hte n GLY 94 N 0.77 -0.32 3.78 3.28 0.00 -0.06 -4.96 105.19 107.68 1hte n GLY 94 Ca 0.22 0.15 -0.38 0.00 0.00 0.00 0.00 46.02 46.01 1hte n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hte s THR 96 N -1.44 0.13 -0.02 0.00 -4.23 -1.26 -4.49 115.64 104.33 1hte s THR 96 Ca 0.45 -1.09 -0.19 0.00 -1.18 0.00 0.00 61.69 59.68 1hte s THR 96 Cb -0.20 -1.09 -0.05 0.00 1.34 0.00 0.00 72.50 72.50 1hte s THR 96 CO 0.25 -0.60 0.54 -0.76 -0.54 0.00 0.00 174.62 173.51 1hte s LEU 97 N -2.40 4.40 0.04 4.79 1.02 -1.26 -5.07 118.68 120.20 1hte s LEU 97 Ca -0.01 1.06 -0.01 0.00 0.02 0.00 0.00 54.13 55.19 1hte s LEU 97 Cb 0.01 -2.82 -0.04 0.00 0.02 0.00 0.00 46.19 43.37 1hte s LEU 97 CO -0.07 0.13 -0.03 0.20 0.02 0.00 0.00 176.35 176.60 1hte s ASN 98 N -0.21 0.45 0.00 2.29 -0.87 -1.26 -5.29 114.94 110.05 1hte s ASN 98 Ca 0.29 -0.88 0.00 0.00 -1.57 0.00 0.00 52.86 50.70 1hte s ASN 98 Cb -0.17 0.17 0.00 0.00 -0.02 0.00 0.00 41.25 41.23 1hte s ASN 98 CO 0.15 -0.52 0.00 2.22 -2.57 0.00 0.00 177.10 176.38