#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hsg s GLN 2 N 0.00 2.50 -0.21 0.54 0.74 -1.26 -5.08 119.66 116.90 1hsg s GLN 2 Ca 0.00 -1.39 -0.17 0.00 0.05 0.00 0.00 55.36 53.84 1hsg s GLN 2 Cb 0.00 -3.58 -0.03 0.00 1.10 0.00 0.00 33.01 30.50 1hsg s GLN 2 CO 0.00 -0.83 0.47 0.42 -0.55 0.00 0.00 175.29 174.80 1hsg s ILE 3 N 1.36 5.14 0.67 -2.34 1.01 -1.26 -5.07 121.20 120.70 1hsg s ILE 3 Ca 0.01 0.86 -0.04 0.00 0.00 0.00 0.00 60.65 61.48 1hsg s ILE 3 Cb -0.21 -3.80 0.06 0.00 0.01 0.00 0.00 42.46 38.52 1hsg s ILE 3 CO 0.01 0.20 0.95 0.42 0.00 0.00 0.00 174.94 176.52 1hsg s THR 4 N 1.58 2.37 -0.13 2.92 -4.23 -1.26 -5.04 115.64 111.84 1hsg s THR 4 Ca 0.22 -0.40 0.18 0.00 -1.18 0.00 0.00 61.69 60.50 1hsg s THR 4 Cb -0.15 -2.96 0.29 0.00 1.34 0.00 0.00 72.50 71.01 1hsg s THR 4 CO 0.09 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.50 1hsg n LEU 5 N -2.78 2.28 0.02 4.79 4.77 -1.26 -4.56 117.00 120.27 1hsg n LEU 5 Ca 0.09 -3.06 -0.01 0.00 -0.03 0.00 0.00 56.01 52.99 1hsg n LEU 5 Cb 0.60 -0.42 0.27 0.00 -2.33 0.00 0.00 43.42 41.54 1hsg n LEU 5 CO 0.49 0.74 0.84 -0.50 -1.33 0.00 0.00 177.39 177.64 1hsg h TRP 6 N 0.08 0.49 -1.81 -1.77 4.06 -2.05 -3.44 115.95 111.52 1hsg h TRP 6 Ca -0.00 -0.07 -0.54 0.00 2.06 0.00 0.00 58.89 60.33 1hsg h TRP 6 Cb 1.02 -0.13 -0.07 0.00 -1.00 0.00 0.00 29.16 28.97 1hsg h TRP 6 CO 0.06 0.58 -0.52 -0.65 -3.56 0.00 0.00 178.44 174.35 1hsg s GLN 7 N -4.73 2.36 0.36 0.49 1.11 -1.26 -5.11 119.66 112.88 1hsg s GLN 7 Ca -0.07 -1.59 -0.27 0.00 0.01 0.00 0.00 55.36 53.44 1hsg s GLN 7 Cb 0.15 -2.16 -0.12 0.00 -1.01 0.00 0.00 33.01 29.87 1hsg s GLN 7 CO 0.77 0.05 1.20 0.54 0.01 0.00 0.00 175.29 177.86 1hsg n ARG 8 N -1.19 1.85 -2.42 2.91 1.74 -1.26 -4.86 116.66 113.42 1hsg n ARG 8 Ca -0.02 0.65 -0.43 0.00 -0.77 0.00 0.00 57.85 57.28 1hsg n ARG 8 Cb 0.62 -2.21 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 1hsg n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1hsg n PRO 9 N 0.43 3.31 -3.27 5.56 -0.04 -1.26 -4.92 135.00 134.81 1hsg n PRO 9 Ca 0.06 -3.37 -0.38 0.00 -0.04 0.00 0.00 63.50 59.77 1hsg n PRO 9 Cb 0.36 -3.15 -0.06 0.00 -0.04 0.00 0.00 33.50 30.62 1hsg n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1hsg s LEU 10 N 1.67 4.26 0.36 1.53 1.43 -1.26 -1.88 118.68 124.78 1hsg s LEU 10 Ca 0.45 0.84 0.03 0.00 -1.03 0.00 0.00 54.13 54.43 1hsg s LEU 10 Cb 0.06 -2.74 -0.05 0.00 0.03 0.00 0.00 46.19 43.49 1hsg s LEU 10 CO -0.00 -0.04 0.08 0.68 0.23 0.00 0.00 176.35 177.30 1hsg s VAL 11 N 0.78 0.94 -0.14 -1.59 -7.23 -0.30 -4.94 120.40 107.91 1hsg s VAL 11 Ca 0.27 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.27 1hsg s VAL 11 Cb -0.15 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 1hsg s VAL 11 CO 0.11 0.00 0.46 -0.89 -0.31 0.00 0.00 175.10 174.47 1hsg s THR 12 N -3.28 5.19 0.36 5.32 2.01 -1.26 -1.14 115.64 122.84 1hsg s THR 12 Ca 0.31 0.89 0.08 0.00 0.31 0.00 0.00 61.69 63.29 1hsg s THR 12 Cb 0.06 -3.79 -0.06 0.00 0.01 0.00 0.00 72.50 68.72 1hsg s THR 12 CO 0.15 0.31 0.05 0.27 -0.69 0.00 0.00 174.62 174.70 1hsg s ILE 13 N 0.80 2.54 -0.06 1.82 -4.36 0.59 -3.41 121.20 119.12 1hsg s ILE 13 Ca 0.24 -1.91 -0.00 0.00 -0.26 0.00 0.00 60.65 58.71 1hsg s ILE 13 Cb -0.15 -2.86 0.03 0.00 1.25 0.00 0.00 42.46 40.73 1hsg s ILE 13 CO 0.09 -0.15 -0.02 -0.75 0.24 0.00 0.00 174.94 174.35 1hsg s LYS 14 N -3.75 0.75 -0.03 0.37 2.20 -0.98 -0.79 119.74 117.51 1hsg s LYS 14 Ca 0.36 -0.00 -0.05 0.00 -0.36 0.00 0.00 55.97 55.92 1hsg s LYS 14 Cb 0.01 -0.95 0.01 0.00 -1.51 0.00 0.00 37.83 35.39 1hsg s LYS 14 CO 0.20 -0.21 0.11 -1.50 -0.36 0.00 0.00 175.35 173.60 1hsg s ILE 15 N 1.50 0.02 -1.51 5.43 2.07 -0.76 -0.42 121.20 127.53 1hsg s ILE 15 Ca -0.02 -0.20 -0.14 0.00 -1.41 0.00 0.00 60.65 58.88 1hsg s ILE 15 Cb -0.13 -0.23 0.11 0.00 0.13 0.00 0.00 42.46 42.33 1hsg s ILE 15 CO -0.03 -0.11 0.74 0.61 -1.91 0.00 0.00 174.94 174.24 1hsg n GLY 16 N 2.60 -0.48 3.37 1.50 0.00 -1.26 -0.38 105.19 110.55 1hsg n GLY 16 Ca -0.15 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1hsg n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hsg n GLY 17 N -1.40 0.08 3.78 -0.02 0.00 -1.26 -4.96 105.19 101.42 1hsg n GLY 17 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1hsg n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1hsg s GLN 18 N -1.34 4.11 -0.04 1.61 -1.52 0.49 -5.08 119.66 117.89 1hsg s GLN 18 Ca 0.00 0.40 -0.26 0.00 -1.95 0.00 0.00 55.36 53.55 1hsg s GLN 18 Cb 0.00 -3.32 -0.03 0.00 -0.22 0.00 0.00 33.01 29.44 1hsg s GLN 18 CO 0.00 0.46 0.80 -0.51 -0.25 0.00 0.00 175.29 175.79 1hsg s LEU 19 N -0.33 4.34 0.14 2.90 1.43 -1.26 -1.83 118.68 124.06 1hsg s LEU 19 Ca 0.24 1.36 0.05 0.00 -1.03 0.00 0.00 54.13 54.75 1hsg s LEU 19 Cb -0.16 -3.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 1hsg s LEU 19 CO 0.11 -0.17 -0.10 -0.54 0.23 0.00 0.00 176.35 175.89 1hsg s LYS 20 N 0.86 1.05 0.01 1.70 3.01 0.03 -4.99 119.74 121.41 1hsg s LYS 20 Ca 0.43 -1.42 -0.00 0.00 -1.01 0.00 0.00 55.97 53.96 1hsg s LYS 20 Cb -0.19 -0.63 -0.04 0.00 -1.01 0.00 0.00 37.83 35.96 1hsg s LYS 20 CO 0.22 0.08 0.10 -1.83 0.51 0.00 0.00 175.35 174.42 1hsg s GLU 21 N -3.63 3.09 0.13 1.68 -1.05 -1.26 -0.30 118.70 117.37 1hsg s GLU 21 Ca 0.16 -0.49 -0.15 0.00 -0.15 0.00 0.00 54.97 54.33 1hsg s GLU 21 Cb 0.02 -2.87 0.03 0.00 -0.44 0.00 0.00 34.13 30.86 1hsg s GLU 21 CO 0.01 0.64 0.39 0.00 0.95 0.00 0.00 175.26 177.24 1hsg s ALA 22 N -1.25 -0.78 -0.19 -0.84 0.00 -0.29 -4.44 121.76 113.98 1hsg s ALA 22 Ca 0.25 -0.21 -0.08 0.00 0.00 0.00 0.00 51.96 51.93 1hsg s ALA 22 Cb -0.12 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 1hsg s ALA 22 CO 0.16 -0.65 0.07 -1.17 0.00 0.00 0.00 175.76 174.16 1hsg s LEU 23 N -2.83 3.80 -0.58 0.00 2.96 0.97 -1.15 118.68 121.84 1hsg s LEU 23 Ca 0.05 0.06 -0.26 0.00 -0.22 0.00 0.00 54.13 53.77 1hsg s LEU 23 Cb 0.02 -1.97 0.04 0.00 0.50 0.00 0.00 46.19 44.78 1hsg s LEU 23 CO -0.10 0.16 1.07 -0.76 -1.32 0.00 0.00 176.35 175.40 1hsg s LEU 24 N 0.48 3.79 -0.36 -0.68 1.43 -0.79 0.38 118.68 122.93 1hsg s LEU 24 Ca 0.03 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1hsg s LEU 24 Cb -0.13 -2.91 0.11 0.00 0.03 0.00 0.00 46.19 43.29 1hsg s LEU 24 CO 0.01 -1.39 0.09 -0.62 0.23 0.00 0.00 176.35 174.67 1hsg s ASP 25 N 3.01 4.56 0.00 2.29 -1.08 -0.42 -4.78 116.67 120.25 1hsg s ASP 25 Ca 0.35 -2.20 0.15 0.00 -0.52 0.00 0.00 52.55 50.33 1hsg s ASP 25 Cb -0.10 -1.49 0.66 0.00 -1.46 0.00 0.00 42.92 40.53 1hsg s ASP 25 CO 0.21 -0.36 1.48 0.35 0.52 0.00 0.00 175.17 177.36 1hsg n THR 26 N 4.17 0.91 0.58 1.71 -2.24 -1.26 -2.04 114.28 116.11 1hsg n THR 26 Ca 0.03 0.23 0.12 0.00 -2.27 0.00 0.00 64.05 62.16 1hsg n THR 26 Cb 0.40 -0.97 0.13 0.00 -2.10 0.00 0.00 70.33 67.79 1hsg n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hsg n GLY 27 N 0.06 -1.35 3.70 3.38 0.00 -1.26 -4.84 105.19 104.88 1hsg n GLY 27 Ca 0.04 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1hsg n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hsg s ALA 28 N -3.17 3.41 0.19 4.61 0.00 -0.87 -4.97 121.76 120.96 1hsg s ALA 28 Ca 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 1hsg s ALA 28 Cb 0.14 -2.95 0.11 0.00 0.00 0.00 0.00 23.12 20.41 1hsg s ALA 28 CO 0.75 -0.24 1.52 -0.44 0.00 0.00 0.00 175.76 177.34 1hsg h ASP 29 N 6.96 0.68 -1.67 0.00 3.32 -1.88 0.09 116.42 123.92 1hsg h ASP 29 Ca -0.38 -0.34 -0.60 0.00 0.02 0.00 0.00 57.03 55.73 1hsg h ASP 29 Cb 1.18 -0.19 -0.11 0.00 0.22 0.00 0.00 39.33 40.42 1hsg h ASP 29 CO 0.77 1.06 -0.56 -1.81 -1.72 0.00 0.00 179.24 176.97 1hsg s ASP 30 N -6.90 4.13 -0.19 6.45 1.01 -1.26 -3.26 116.67 116.65 1hsg s ASP 30 Ca -0.08 -1.20 -0.10 0.00 0.71 0.00 0.00 52.55 51.88 1hsg s ASP 30 Cb 0.11 -0.44 -0.05 0.00 1.01 0.00 0.00 42.92 43.55 1hsg s ASP 30 CO 0.84 -0.46 0.12 -0.89 0.21 0.00 0.00 175.17 175.00 1hsg s THR 31 N -2.64 5.32 -0.14 -1.27 2.01 -1.26 -3.00 115.64 114.66 1hsg s THR 31 Ca 0.37 0.16 -0.01 0.00 0.31 0.00 0.00 61.69 62.52 1hsg s THR 31 Cb 0.06 -3.42 0.04 0.00 0.01 0.00 0.00 72.50 69.19 1hsg s THR 31 CO 0.20 0.45 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.86 1hsg s VAL 32 N 0.32 0.80 0.17 3.82 1.01 -0.75 -0.76 120.40 125.01 1hsg s VAL 32 Ca 0.08 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.78 1hsg s VAL 32 Cb -0.11 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1hsg s VAL 32 CO -0.02 0.15 -0.03 -0.76 0.00 0.00 0.00 175.10 174.45 1hsg s LEU 33 N 1.77 3.22 0.40 3.92 1.43 0.74 -1.62 118.68 128.54 1hsg s LEU 33 Ca 0.02 -0.44 -0.27 0.00 -1.03 0.00 0.00 54.13 52.42 1hsg s LEU 33 Cb -0.14 -1.88 -0.10 0.00 0.03 0.00 0.00 46.19 44.09 1hsg s LEU 33 CO -0.07 0.10 1.39 -0.62 0.23 0.00 0.00 176.35 177.38 1hsg n GLU 34 N -0.03 2.32 -0.51 1.70 1.02 -1.26 -1.50 120.64 122.38 1hsg n GLU 34 Ca -0.10 0.82 -0.24 0.00 -0.02 0.00 0.00 57.16 57.61 1hsg n GLU 34 Cb 0.55 -2.54 -0.05 0.00 -0.02 0.00 0.00 31.44 29.38 1hsg n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1hsg n GLU 35 N 0.22 0.00 -3.81 3.49 4.07 -1.11 -4.63 120.64 118.87 1hsg n GLU 35 Ca 0.04 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.05 1hsg n GLU 35 Cb 0.39 -0.60 -0.04 0.00 -0.06 0.00 0.00 31.44 31.13 1hsg n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1hsg s MET 36 N 2.36 1.46 -0.17 5.31 0.23 -1.26 -5.01 119.30 122.22 1hsg s MET 36 Ca 0.48 -0.97 -0.12 0.00 -1.03 0.00 0.00 55.69 54.05 1hsg s MET 36 Cb -0.60 0.52 -0.05 0.00 -1.53 0.00 0.00 34.83 33.17 1hsg s MET 36 CO 0.27 -0.62 0.23 0.45 -2.03 0.00 0.00 175.02 173.32 1hsg s SER 37 N -2.91 6.36 0.19 -1.18 0.15 -1.26 -5.01 113.70 110.05 1hsg s SER 37 Ca 0.12 0.42 0.09 0.00 0.70 0.00 0.00 55.95 57.28 1hsg s SER 37 Cb -0.01 -2.15 -0.04 0.00 -1.71 0.00 0.00 66.02 62.10 1hsg s SER 37 CO 0.01 0.14 -0.18 -0.76 1.20 0.00 0.00 173.24 173.65 1hsg s LEU 38 N 0.34 2.49 0.21 3.45 1.43 -1.26 -5.06 118.68 120.29 1hsg s LEU 38 Ca 0.14 -0.93 -0.32 0.00 -1.03 0.00 0.00 54.13 51.99 1hsg s LEU 38 Cb -0.12 -0.86 -0.13 0.00 0.03 0.00 0.00 46.19 45.10 1hsg s LEU 38 CO 0.02 -0.04 1.60 -0.81 0.23 0.00 0.00 176.35 177.35 1hsg n PRO 39 N -0.02 2.42 0.00 1.29 -0.04 -1.26 -4.91 135.00 132.48 1hsg n PRO 39 Ca -0.11 0.87 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 1hsg n PRO 39 Cb 0.58 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 1hsg n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hsg n GLY 40 N 3.18 1.13 3.95 0.55 0.00 -1.26 -4.98 105.19 107.77 1hsg n GLY 40 Ca 0.14 -2.29 -0.23 0.00 0.00 0.00 0.00 46.02 43.65 1hsg n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hsg s ARG 41 N -1.15 3.34 0.07 1.61 3.00 -1.26 -5.13 118.95 119.43 1hsg s ARG 41 Ca 0.00 -0.50 0.08 0.00 0.00 0.00 0.00 55.73 55.31 1hsg s ARG 41 Cb 0.00 -2.68 -0.03 0.00 0.00 0.00 0.00 34.95 32.24 1hsg s ARG 41 CO 0.00 0.08 -0.21 1.67 0.00 0.00 0.00 175.30 176.84 1hsg s TRP 42 N -2.32 1.83 0.02 -0.53 1.48 -1.26 -4.69 118.94 113.46 1hsg s TRP 42 Ca 0.42 -0.39 -0.13 0.00 -1.06 0.00 0.00 56.10 54.94 1hsg s TRP 42 Cb -0.10 -1.05 -0.06 0.00 -1.16 0.00 0.00 33.47 31.11 1hsg s TRP 42 CO 0.35 0.14 0.39 0.15 -4.06 0.00 0.00 176.95 173.93 1hsg s LYS 43 N -1.49 3.85 0.45 3.25 1.02 -0.91 -4.86 119.74 121.05 1hsg s LYS 43 Ca 0.07 0.32 -0.16 0.00 0.02 0.00 0.00 55.97 56.23 1hsg s LYS 43 Cb -0.09 -3.15 -0.08 0.00 -0.52 0.00 0.00 37.83 33.98 1hsg s LYS 43 CO 0.03 0.66 0.90 -1.25 -0.92 0.00 0.00 175.35 174.77 1hsg s PRO 44 N -1.31 3.96 0.00 -1.68 0.04 -1.26 -0.32 135.00 134.44 1hsg s PRO 44 Ca 0.26 0.84 -0.09 0.00 0.04 0.00 0.00 61.00 62.04 1hsg s PRO 44 Cb -0.16 -2.24 0.01 0.00 0.04 0.00 0.00 34.50 32.15 1hsg s PRO 44 CO 0.14 -0.12 0.18 0.21 0.04 0.00 0.00 177.00 177.45 1hsg s LYS 45 N -3.73 0.55 -0.22 4.56 2.20 -0.73 -4.89 119.74 117.48 1hsg s LYS 45 Ca 0.57 -0.39 -0.05 0.00 -0.36 0.00 0.00 55.97 55.75 1hsg s LYS 45 Cb -0.10 0.23 -0.02 0.00 -1.51 0.00 0.00 37.83 36.43 1hsg s LYS 45 CO 0.26 -0.14 -0.00 -1.64 -0.36 0.00 0.00 175.35 173.47 1hsg s MET 46 N -1.52 3.53 0.09 4.03 -1.94 -1.26 -0.71 119.30 121.52 1hsg s MET 46 Ca -0.13 -0.55 0.09 0.00 -1.71 0.00 0.00 55.69 53.38 1hsg s MET 46 Cb -0.06 -3.10 -0.04 0.00 2.01 0.00 0.00 34.83 33.64 1hsg s MET 46 CO 0.02 -0.11 -0.21 0.96 -0.01 0.00 0.00 175.02 175.67 1hsg s ILE 47 N 1.32 2.63 -0.16 2.53 -4.36 -0.93 -4.97 121.20 117.26 1hsg s ILE 47 Ca 0.04 -1.44 -0.02 0.00 -0.26 0.00 0.00 60.65 58.97 1hsg s ILE 47 Cb -0.15 -2.15 -0.02 0.00 1.25 0.00 0.00 42.46 41.40 1hsg s ILE 47 CO 0.00 0.20 -0.08 -0.83 0.24 0.00 0.00 174.94 174.47 1hsg s GLY 48 N -1.81 1.61 0.00 6.27 0.00 -1.26 -1.37 107.32 110.76 1hsg s GLY 48 Ca 0.15 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.93 1hsg s GLY 48 CO 0.07 0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.78 1hsg n GLY 49 N 3.86 2.18 0.13 0.20 0.00 -0.41 -4.97 105.19 106.18 1hsg n GLY 49 Ca -0.18 -1.82 -0.22 0.00 0.00 0.00 0.00 46.02 43.80 1hsg n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1hsg h ILE 50 N 0.00 1.40 -0.74 -0.61 1.08 -2.02 -3.29 117.51 113.32 1hsg h ILE 50 Ca 0.00 -2.61 -0.32 0.00 -0.39 0.00 0.00 64.86 61.54 1hsg h ILE 50 Cb 0.00 3.13 -0.19 0.00 -3.07 0.00 0.00 36.82 36.69 1hsg h ILE 50 CO 0.00 0.76 0.41 0.61 -0.69 0.00 0.00 178.15 179.24 1hsg n GLY 51 N 1.70 3.74 0.00 5.37 0.00 -1.26 -5.04 105.19 109.69 1hsg n GLY 51 Ca -0.15 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.99 1hsg n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hsg n GLY 52 N -0.51 -1.53 3.89 -0.02 0.00 -1.24 -5.05 105.19 100.73 1hsg n GLY 52 Ca 0.43 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 1hsg n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1hsg s PHE 53 N 0.00 3.53 0.20 1.61 0.40 -1.26 -1.29 117.98 121.18 1hsg s PHE 53 Ca 0.00 0.57 0.09 0.00 -0.60 0.00 0.00 56.93 56.99 1hsg s PHE 53 Cb 0.00 -2.00 -0.05 0.00 0.51 0.00 0.00 43.02 41.48 1hsg s PHE 53 CO 0.00 0.53 -0.17 0.96 0.70 0.00 0.00 175.22 177.23 1hsg s ILE 54 N -1.47 1.94 -0.14 0.64 -4.36 -0.47 -4.97 121.20 112.36 1hsg s ILE 54 Ca 0.34 -2.13 -0.17 0.00 -0.26 0.00 0.00 60.65 58.44 1hsg s ILE 54 Cb -0.13 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.52 1hsg s ILE 54 CO 0.21 -0.43 0.42 -0.75 0.24 0.00 0.00 174.94 174.62 1hsg s LYS 55 N -3.25 4.29 0.30 0.37 2.20 -1.26 -2.19 119.74 120.20 1hsg s LYS 55 Ca 0.21 0.31 0.08 0.00 -0.36 0.00 0.00 55.97 56.22 1hsg s LYS 55 Cb -0.04 -3.45 -0.06 0.00 -1.51 0.00 0.00 37.83 32.77 1hsg s LYS 55 CO 0.08 0.14 -0.09 0.14 -0.36 0.00 0.00 175.35 175.27 1hsg s VAL 56 N 0.71 1.97 -0.18 4.02 -7.23 0.11 -4.52 120.40 115.28 1hsg s VAL 56 Ca 0.22 -2.19 -0.07 0.00 -1.81 0.00 0.00 61.98 58.13 1hsg s VAL 56 Cb -0.14 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1hsg s VAL 56 CO 0.08 -0.28 0.06 -0.13 -0.31 0.00 0.00 175.10 174.52 1hsg s ARG 57 N -3.66 3.94 -0.30 4.82 0.52 0.56 -1.77 118.95 123.06 1hsg s ARG 57 Ca 0.30 -0.36 -0.11 0.00 -0.52 0.00 0.00 55.73 55.05 1hsg s ARG 57 Cb 0.02 -3.20 -0.03 0.00 0.52 0.00 0.00 34.95 32.26 1hsg s ARG 57 CO 0.14 0.25 0.18 -1.14 0.02 0.00 0.00 175.30 174.75 1hsg s GLN 58 N 0.44 3.60 -0.08 3.54 0.74 0.56 -0.08 119.66 128.38 1hsg s GLN 58 Ca 0.03 -0.55 -0.03 0.00 0.05 0.00 0.00 55.36 54.86 1hsg s GLN 58 Cb -0.13 -3.64 -0.04 0.00 1.10 0.00 0.00 33.01 30.30 1hsg s GLN 58 CO 0.01 -0.33 0.06 0.71 -0.55 0.00 0.00 175.29 175.19 1hsg s TYR 59 N 1.69 3.32 0.38 1.67 1.51 0.08 -2.14 117.35 123.86 1hsg s TYR 59 Ca 0.06 0.30 0.07 0.00 -1.01 0.00 0.00 57.07 56.50 1hsg s TYR 59 Cb -0.17 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 1hsg s TYR 59 CO 0.09 0.57 0.41 -0.51 -1.11 0.00 0.00 175.55 175.00 1hsg s ASP 60 N -1.10 5.43 -1.31 2.29 1.01 -1.26 -1.31 116.67 120.41 1hsg s ASP 60 Ca 0.16 -0.49 -0.01 0.00 0.71 0.00 0.00 52.55 52.91 1hsg s ASP 60 Cb -0.12 -0.83 0.01 0.00 1.01 0.00 0.00 42.92 42.98 1hsg s ASP 60 CO 0.05 -0.55 0.75 1.67 0.21 0.00 0.00 175.17 177.30 1hsg n GLN 61 N -1.58 -5.12 -4.20 8.23 7.27 -1.22 -4.91 117.38 115.85 1hsg n GLN 61 Ca 0.02 0.64 -0.34 0.00 0.07 0.00 0.00 57.00 57.39 1hsg n GLN 61 Cb 0.60 -5.26 -0.10 0.00 2.41 0.00 0.00 30.24 27.88 1hsg n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1hsg s ILE 62 N -3.62 4.42 -0.10 1.69 -1.09 -0.87 -4.86 121.20 116.76 1hsg s ILE 62 Ca 0.05 -0.17 -0.20 0.00 -2.23 0.00 0.00 60.65 58.10 1hsg s ILE 62 Cb -0.02 -2.95 -0.04 0.00 -1.58 0.00 0.00 42.46 37.86 1hsg s ILE 62 CO 0.81 0.50 0.54 -0.22 -1.23 0.00 0.00 174.94 175.34 1hsg s LEU 63 N 0.14 4.29 0.04 2.97 0.20 -1.26 -1.34 118.68 123.72 1hsg s LEU 63 Ca 0.02 0.92 0.08 0.00 0.69 0.00 0.00 54.13 55.84 1hsg s LEU 63 Cb -0.13 -2.81 -0.03 0.00 -0.43 0.00 0.00 46.19 42.80 1hsg s LEU 63 CO 0.01 -0.04 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.19 1hsg s ILE 64 N 0.68 1.78 -0.41 6.68 1.01 -0.71 -4.62 121.20 125.60 1hsg s ILE 64 Ca 0.29 -1.23 -0.09 0.00 0.00 0.00 0.00 60.65 59.63 1hsg s ILE 64 Cb -0.16 -1.53 0.08 0.00 0.01 0.00 0.00 42.46 40.85 1hsg s ILE 64 CO 0.13 0.26 0.25 -1.61 0.00 0.00 0.00 174.94 173.96 1hsg s GLU 65 N -1.15 2.59 -0.40 2.79 2.02 0.44 -2.43 118.70 122.55 1hsg s GLU 65 Ca 0.08 -1.44 -0.12 0.00 0.02 0.00 0.00 54.97 53.51 1hsg s GLU 65 Cb -0.09 -3.75 0.04 0.00 0.10 0.00 0.00 34.13 30.43 1hsg s GLU 65 CO 0.02 -0.93 0.26 0.42 0.02 0.00 0.00 175.26 175.04 1hsg s ILE 66 N 1.42 4.70 -1.49 -1.63 1.01 0.18 -2.32 121.20 123.07 1hsg s ILE 66 Ca 0.03 -0.97 -0.13 0.00 0.00 0.00 0.00 60.65 59.58 1hsg s ILE 66 Cb -0.23 -3.70 0.09 0.00 0.01 0.00 0.00 42.46 38.63 1hsg s ILE 66 CO 0.02 -0.35 0.77 0.00 0.00 0.00 0.00 174.94 175.38 1hsg n GLY 68 N -1.47 3.03 3.68 0.00 0.00 -1.26 -5.04 105.19 104.14 1hsg n GLY 68 Ca 0.02 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1hsg n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1hsg s HIS 69 N 0.00 2.34 0.57 1.61 4.02 -0.43 -4.93 115.29 118.46 1hsg s HIS 69 Ca 0.00 0.33 -0.17 0.00 1.02 0.00 0.00 55.06 56.24 1hsg s HIS 69 Cb 0.00 -3.92 -0.04 0.00 -1.02 0.00 0.00 32.58 27.59 1hsg s HIS 69 CO 0.00 -3.73 1.07 0.15 1.02 0.00 0.00 174.74 173.25 1hsg s LYS 70 N 2.99 3.35 -0.03 1.40 1.02 -1.26 -0.64 119.74 126.56 1hsg s LYS 70 Ca 0.73 1.34 -0.22 0.00 0.02 0.00 0.00 55.97 57.83 1hsg s LYS 70 Cb -0.37 -2.03 0.04 0.00 -0.52 0.00 0.00 37.83 34.95 1hsg s LYS 70 CO 0.31 -0.80 0.48 0.00 -0.92 0.00 0.00 175.35 174.42 1hsg s ALA 71 N -2.22 -1.23 0.02 5.17 0.00 -1.02 -4.72 121.76 117.76 1hsg s ALA 71 Ca 0.66 0.79 0.04 0.00 0.00 0.00 0.00 51.96 53.46 1hsg s ALA 71 Cb -0.18 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1hsg s ALA 71 CO 0.32 -0.31 -0.13 0.42 0.00 0.00 0.00 175.76 176.06 1hsg s ILE 72 N -1.23 1.01 -2.04 0.00 1.01 -1.26 -1.74 121.20 116.95 1hsg s ILE 72 Ca -0.12 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1hsg s ILE 72 Cb -0.03 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.55 1hsg s ILE 72 CO 0.07 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.71 1hsg n GLY 73 N 2.25 -1.43 3.75 6.18 0.00 -0.45 -4.92 105.19 110.58 1hsg n GLY 73 Ca -0.16 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 1hsg n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hsg s THR 74 N -2.76 3.34 -0.04 2.61 2.01 -1.26 -2.06 115.64 117.48 1hsg s THR 74 Ca 0.00 1.28 0.02 0.00 0.31 0.00 0.00 61.69 63.31 1hsg s THR 74 Cb 0.00 -3.82 0.01 0.00 0.01 0.00 0.00 72.50 68.70 1hsg s THR 74 CO 0.00 0.28 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.43 1hsg s VAL 75 N -0.85 0.79 -0.08 3.82 1.01 -0.43 -4.42 120.40 120.25 1hsg s VAL 75 Ca 0.48 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 62.11 1hsg s VAL 75 Cb -0.34 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1hsg s VAL 75 CO 0.42 0.26 -0.01 -0.76 0.00 0.00 0.00 175.10 175.01 1hsg s LEU 76 N 0.43 3.49 -0.05 3.92 1.43 0.06 -0.74 118.68 127.21 1hsg s LEU 76 Ca -0.07 0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.18 1hsg s LEU 76 Cb -0.11 -1.79 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 1hsg s LEU 76 CO 0.01 0.37 -0.19 -0.69 0.23 0.00 0.00 176.35 176.09 1hsg s VAL 77 N -0.87 1.55 -0.77 -1.59 1.01 0.88 -0.19 120.40 120.42 1hsg s VAL 77 Ca 0.13 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1hsg s VAL 77 Cb -0.11 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.94 1hsg s VAL 77 CO 0.02 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.18 1hsg n GLY 78 N 3.17 -1.35 3.30 4.51 0.00 -0.56 -0.32 105.19 113.93 1hsg n GLY 78 Ca -0.18 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 1hsg n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1hsg n PRO 79 N -0.12 3.16 -4.34 1.61 -0.04 -1.26 -2.77 135.00 131.24 1hsg n PRO 79 Ca 0.00 -3.19 -0.32 0.00 -0.04 0.00 0.00 63.50 59.95 1hsg n PRO 79 Cb 0.00 -3.35 -0.09 0.00 -0.04 0.00 0.00 33.50 30.01 1hsg n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1hsg s THR 80 N 3.40 3.93 0.27 0.52 -1.32 -1.26 -5.03 115.64 116.15 1hsg s THR 80 Ca 0.50 -0.71 0.06 0.00 -1.21 0.00 0.00 61.69 60.32 1hsg s THR 80 Cb 0.06 -2.75 0.00 0.00 -1.51 0.00 0.00 72.50 68.31 1hsg s THR 80 CO 0.02 0.36 1.64 1.55 -2.21 0.00 0.00 174.62 175.98 1hsg h PRO 81 N 4.33 0.24 -5.00 7.08 0.13 -1.99 -3.44 132.00 133.35 1hsg h PRO 81 Ca -0.49 -0.14 -0.33 0.00 -0.87 0.00 0.00 66.00 64.18 1hsg h PRO 81 Cb 1.17 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.13 1hsg h PRO 81 CO 0.56 0.68 -0.74 0.54 -0.23 0.00 0.00 178.00 178.82 1hsg s VAL 82 N -3.98 0.96 0.10 1.56 0.11 -1.26 -5.06 120.40 112.84 1hsg s VAL 82 Ca -0.04 -1.58 -0.27 0.00 -2.93 0.00 0.00 61.98 57.16 1hsg s VAL 82 Cb 0.13 -1.30 -0.06 0.00 -1.53 0.00 0.00 36.38 33.61 1hsg s VAL 82 CO 0.78 -0.51 0.82 0.20 -3.33 0.00 0.00 175.10 173.07 1hsg s ASN 83 N -2.34 7.35 -0.08 3.54 0.01 -1.26 -4.66 114.94 117.51 1hsg s ASN 83 Ca 0.04 1.61 0.00 0.00 -0.71 0.00 0.00 52.86 53.81 1hsg s ASN 83 Cb -0.04 -2.51 0.02 0.00 0.41 0.00 0.00 41.25 39.13 1hsg s ASN 83 CO 0.00 0.06 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.95 1hsg s ILE 84 N -0.39 0.83 -0.33 0.60 1.01 -0.64 -0.02 121.20 122.26 1hsg s ILE 84 Ca 0.40 -0.23 -0.10 0.00 0.00 0.00 0.00 60.65 60.72 1hsg s ILE 84 Cb -0.22 -0.84 -0.00 0.00 0.01 0.00 0.00 42.46 41.40 1hsg s ILE 84 CO 0.26 0.31 0.18 -0.63 0.00 0.00 0.00 174.94 175.06 1hsg s ILE 85 N 1.32 4.72 0.00 2.92 -1.09 0.16 -1.80 121.20 127.43 1hsg s ILE 85 Ca -0.03 -0.46 0.00 0.00 -2.23 0.00 0.00 60.65 57.93 1hsg s ILE 85 Cb -0.14 -3.45 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 1hsg s ILE 85 CO -0.03 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.29 1hsg n GLY 86 N 5.01 1.58 0.27 6.18 0.00 -1.16 -1.30 105.19 115.77 1hsg n GLY 86 Ca -0.13 -2.07 0.04 0.00 0.00 0.00 0.00 46.02 43.86 1hsg n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1hsg h ARG 87 N 0.00 0.31 -0.35 1.61 3.08 -1.05 -0.49 114.38 117.50 1hsg h ARG 87 Ca 0.00 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1hsg h ARG 87 Cb 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1hsg h ARG 87 CO 0.00 0.30 0.08 -2.95 -1.07 0.00 0.00 179.97 176.33 1hsg h ASN 88 N 0.31 0.46 0.00 7.04 -1.07 -1.81 -1.74 115.58 118.78 1hsg h ASN 88 Ca 0.08 -0.06 -0.01 0.00 0.07 0.00 0.00 56.30 56.38 1hsg h ASN 88 Cb 0.13 -0.12 -0.00 0.00 -2.07 0.00 0.00 38.32 36.26 1hsg h ASN 88 CO -0.00 0.47 -1.98 0.18 0.07 0.00 0.00 177.43 176.17 1hsg n LEU 89 N -4.35 0.00 0.20 6.14 4.77 -0.83 -4.37 117.00 118.57 1hsg n LEU 89 Ca 0.02 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.05 1hsg n LEU 89 Cb 0.18 0.01 0.43 0.00 -2.33 0.00 0.00 43.42 41.72 1hsg n LEU 89 CO 0.38 0.01 0.77 -0.07 -1.33 0.00 0.00 177.39 177.15 1hsg h LEU 90 N 0.00 0.00 -0.33 2.23 3.38 -0.28 -2.81 115.31 117.51 1hsg h LEU 90 Ca -0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 1hsg h LEU 90 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1hsg h LEU 90 CO 0.00 0.32 -0.59 0.71 0.09 0.00 0.00 178.44 178.97 1hsg h THR 91 N 0.00 1.29 0.00 0.22 1.35 -1.56 -1.26 112.91 112.95 1hsg h THR 91 Ca -0.00 -1.79 -0.02 0.00 -0.55 0.00 0.00 66.41 64.04 1hsg h THR 91 Cb 0.64 1.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1hsg h THR 91 CO 0.04 0.58 -0.11 1.56 -0.25 0.00 0.00 175.52 177.33 1hsg h GLN 92 N 0.60 0.00 -0.18 4.72 1.08 -1.71 -0.50 115.11 119.12 1hsg h GLN 92 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1hsg h GLN 92 Cb 1.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 1hsg h GLN 92 CO 0.12 0.11 0.00 0.44 -0.95 0.00 0.00 178.83 178.56 1hsg n ILE 93 N -3.76 0.22 -1.78 2.54 -5.35 -1.18 -4.90 119.36 105.14 1hsg n ILE 93 Ca -0.02 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 61.85 1hsg n ILE 93 Cb 0.22 1.27 0.00 0.00 -1.74 0.00 0.00 39.64 39.39 1hsg n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1hsg n GLY 94 N 1.38 0.78 3.74 3.28 0.00 -0.20 -5.02 105.19 109.15 1hsg n GLY 94 Ca 0.16 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 1hsg n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hsg s THR 96 N 0.23 1.00 -0.21 0.00 -4.23 -1.26 -4.76 115.64 106.41 1hsg s THR 96 Ca 0.36 -2.03 -0.07 0.00 -1.18 0.00 0.00 61.69 58.77 1hsg s THR 96 Cb -0.19 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.48 1hsg s THR 96 CO 0.20 -0.49 0.06 -0.22 -0.54 0.00 0.00 174.62 173.62 1hsg s LEU 97 N -3.24 3.57 -0.08 4.79 2.96 -1.26 -5.09 118.68 120.33 1hsg s LEU 97 Ca 0.24 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 1hsg s LEU 97 Cb 0.05 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.83 1hsg s LEU 97 CO 0.05 0.07 -0.14 0.20 -1.32 0.00 0.00 176.35 175.21 1hsg s ASN 98 N 0.98 2.14 0.00 3.68 -0.87 -1.26 -5.31 114.94 114.30 1hsg s ASN 98 Ca 0.03 -0.37 0.00 0.00 -1.57 0.00 0.00 52.86 50.96 1hsg s ASN 98 Cb -0.14 -0.97 0.00 0.00 -0.02 0.00 0.00 41.25 40.12 1hsg s ASN 98 CO 0.03 0.04 0.16 2.22 -2.57 0.00 0.00 177.10 176.97