#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 2.81 -0.22 0.54 0.74 -1.26 -5.11 119.66 117.16 1hsg s GLN 2 Ca 0.00 -0.79 -0.01 0.00 0.05 0.00 0.00 55.36 54.62 1hsg s GLN 2 Cb 0.00 -2.22 0.02 0.00 1.10 0.00 0.00 33.01 31.91 1hsg s GLN 2 CO 0.00 0.06 -0.11 0.42 -0.55 0.00 0.00 175.29 175.11 1hsg s ILE 3 N 0.64 2.62 0.80 -2.34 1.01 -1.26 -5.10 121.20 117.57 1hsg s ILE 3 Ca -0.12 -0.93 -0.09 0.00 0.00 0.00 0.00 60.65 59.51 1hsg s ILE 3 Cb -0.16 -2.24 0.13 0.00 0.01 0.00 0.00 42.46 40.20 1hsg s ILE 3 CO 0.03 0.35 1.13 0.42 0.00 0.00 0.00 174.94 176.87 1hsg s THR 4 N 1.33 2.13 -0.12 2.92 -4.23 -1.26 -5.01 115.64 111.39 1hsg s THR 4 Ca 0.02 -0.25 0.14 0.00 -1.18 0.00 0.00 61.69 60.43 1hsg s THR 4 Cb -0.15 -2.88 0.31 0.00 1.34 0.00 0.00 72.50 71.12 1hsg s THR 4 CO -0.07 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.34 1hsg n LEU 5 N -3.22 1.96 0.03 4.79 4.77 -1.26 -4.58 117.00 119.49 1hsg n LEU 5 Ca 0.12 -2.92 -0.07 0.00 -0.03 0.00 0.00 56.01 53.11 1hsg n LEU 5 Cb 0.60 -0.35 0.10 0.00 -2.33 0.00 0.00 43.42 41.44 1hsg n LEU 5 CO 0.48 0.85 0.53 -0.50 -1.33 0.00 0.00 177.39 177.41 1hsg h TRP 6 N 0.45 0.58 -2.06 -1.77 4.06 -2.06 -3.44 115.95 111.71 1hsg h TRP 6 Ca -0.03 -0.19 -0.52 0.00 2.06 0.00 0.00 58.89 60.21 1hsg h TRP 6 Cb 1.17 -0.11 -0.06 0.00 -1.00 0.00 0.00 29.16 29.15 1hsg h TRP 6 CO 0.29 0.88 -0.54 -0.65 -3.56 0.00 0.00 178.44 174.85 1hsg s GLN 7 N -4.04 2.61 0.36 0.49 -0.21 -1.26 -5.09 119.66 112.52 1hsg s GLN 7 Ca -0.06 -1.30 -0.27 0.00 0.02 0.00 0.00 55.36 53.75 1hsg s GLN 7 Cb 0.12 -2.36 -0.12 0.00 1.00 0.00 0.00 33.01 31.65 1hsg s GLN 7 CO 0.82 0.27 1.15 0.54 -2.12 0.00 0.00 175.29 175.95 1hsg n ARG 8 N -1.14 1.73 -2.64 2.91 1.74 -1.26 -4.86 116.66 113.13 1hsg n ARG 8 Ca -0.05 0.61 -0.43 0.00 -0.77 0.00 0.00 57.85 57.20 1hsg n ARG 8 Cb 0.59 -2.15 0.00 0.00 -1.02 0.00 0.00 32.46 29.88 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 0.42 3.30 -3.25 5.56 -0.04 -1.26 -4.92 135.00 134.80 1hsg n PRO 9 Ca 0.07 -3.51 -0.39 0.00 -0.04 0.00 0.00 63.50 59.63 1hsg n PRO 9 Cb 0.36 -3.20 -0.07 0.00 -0.04 0.00 0.00 33.50 30.55 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 2.31 4.15 0.43 1.53 1.43 -1.26 -1.20 118.68 126.07 1hsg s LEU 10 Ca 0.47 0.68 0.07 0.00 -1.03 0.00 0.00 54.13 54.32 1hsg s LEU 10 Cb 0.02 -2.71 -0.04 0.00 0.03 0.00 0.00 46.19 43.50 1hsg s LEU 10 CO 0.02 -0.17 0.24 0.68 0.23 0.00 0.00 176.35 177.35 1hsg s VAL 11 N 1.57 2.28 -0.18 -1.59 -7.23 -0.53 -4.93 120.40 109.80 1hsg s VAL 11 Ca 0.24 -1.61 -0.08 0.00 -1.81 0.00 0.00 61.98 58.72 1hsg s VAL 11 Cb -0.15 -2.90 -0.04 0.00 0.56 0.00 0.00 36.38 33.85 1hsg s VAL 11 CO 0.10 0.00 0.10 0.28 -0.31 0.00 0.00 175.10 175.26 1hsg s THR 12 N -2.60 5.10 0.18 5.32 -1.32 -1.26 -1.57 115.64 119.49 1hsg s THR 12 Ca 0.41 0.07 0.10 0.00 -1.21 0.00 0.00 61.69 61.06 1hsg s THR 12 Cb 0.02 -3.29 -0.04 0.00 -1.51 0.00 0.00 72.50 67.67 1hsg s THR 12 CO 0.23 0.48 -0.17 0.27 -2.21 0.00 0.00 174.62 173.22 1hsg s ILE 13 N 0.15 2.80 -0.13 5.08 -4.36 0.52 -3.22 121.20 122.04 1hsg s ILE 13 Ca 0.07 -1.80 0.02 0.00 -0.26 0.00 0.00 60.65 58.69 1hsg s ILE 13 Cb -0.12 -2.36 0.01 0.00 1.25 0.00 0.00 42.46 41.24 1hsg s ILE 13 CO -0.00 -0.09 -0.21 -0.75 0.24 0.00 0.00 174.94 174.13 1hsg s LYS 14 N -2.69 3.06 -0.13 0.37 2.20 -0.33 -0.65 119.74 121.58 1hsg s LYS 14 Ca 0.22 -0.84 -0.07 0.00 -0.36 0.00 0.00 55.97 54.92 1hsg s LYS 14 Cb -0.09 -2.44 0.05 0.00 -1.51 0.00 0.00 37.83 33.85 1hsg s LYS 14 CO 0.12 0.04 0.31 -1.50 -0.36 0.00 0.00 175.35 173.97 1hsg s ILE 15 N 0.70 -0.03 -1.39 5.43 2.07 -0.20 -1.38 121.20 126.40 1hsg s ILE 15 Ca -0.10 0.11 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 1hsg s ILE 15 Cb -0.16 -0.47 0.00 0.00 0.13 0.00 0.00 42.46 41.96 1hsg s ILE 15 CO 0.01 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 1hsg n GLY 16 N 4.04 -0.10 3.32 1.50 0.00 -1.26 -1.38 105.19 111.31 1hsg n GLY 16 Ca -0.23 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.02 0.50 3.93 -0.02 0.00 -1.26 -5.00 105.19 102.32 1hsg n GLY 17 Ca -0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.52 3.37 -0.21 1.61 -0.21 -0.48 -5.10 119.66 118.13 1hsg s GLN 18 Ca 0.00 -0.65 -0.08 0.00 0.02 0.00 0.00 55.36 54.65 1hsg s GLN 18 Cb 0.00 -2.92 -0.04 0.00 1.00 0.00 0.00 33.01 31.05 1hsg s GLN 18 CO 0.00 0.51 0.08 -0.51 -2.12 0.00 0.00 175.29 173.25 1hsg s LEU 19 N -3.27 3.80 0.30 2.90 1.43 -1.26 -1.03 118.68 121.55 1hsg s LEU 19 Ca 0.34 0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 1hsg s LEU 19 Cb -0.11 -1.98 -0.06 0.00 0.03 0.00 0.00 46.19 44.07 1hsg s LEU 19 CO 0.28 0.11 0.04 -0.54 0.23 0.00 0.00 176.35 176.47 1hsg s LYS 20 N 0.74 1.59 -0.09 1.70 -0.14 0.17 -4.96 119.74 118.76 1hsg s LYS 20 Ca 0.04 -1.86 -0.04 0.00 -1.36 0.00 0.00 55.97 52.76 1hsg s LYS 20 Cb -0.13 -0.83 -0.04 0.00 -1.68 0.00 0.00 37.83 35.15 1hsg s LYS 20 CO 0.02 -0.16 0.07 -2.00 -0.76 0.00 0.00 175.35 172.52 1hsg s GLU 21 N -3.88 3.18 0.02 1.68 2.12 -1.26 -0.35 118.70 120.21 1hsg s GLU 21 Ca 0.35 -0.31 -0.05 0.00 0.36 0.00 0.00 54.97 55.32 1hsg s GLU 21 Cb 0.08 -2.96 -0.01 0.00 0.26 0.00 0.00 34.13 31.50 1hsg s GLU 21 CO 0.14 0.73 0.08 0.00 -0.54 0.00 0.00 175.26 175.67 1hsg s ALA 22 N -0.99 -0.10 -0.22 6.30 0.00 -0.61 -4.34 121.76 121.81 1hsg s ALA 22 Ca 0.15 -0.43 -0.19 0.00 0.00 0.00 0.00 51.96 51.49 1hsg s ALA 22 Cb -0.12 0.18 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 1hsg s ALA 22 CO 0.05 -0.25 0.57 -1.17 0.00 0.00 0.00 175.76 174.96 1hsg s LEU 23 N -1.75 4.11 -0.19 0.00 2.96 -0.07 -1.45 118.68 122.29 1hsg s LEU 23 Ca -0.10 0.70 -0.29 0.00 -0.22 0.00 0.00 54.13 54.22 1hsg s LEU 23 Cb -0.05 -2.78 -0.03 0.00 0.50 0.00 0.00 46.19 43.83 1hsg s LEU 23 CO -0.02 -0.26 1.56 -0.76 -1.32 0.00 0.00 176.35 175.55 1hsg s LEU 24 N 2.01 4.01 -0.36 -0.68 1.43 -0.34 -0.61 118.68 124.13 1hsg s LEU 24 Ca 0.25 1.71 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 1hsg s LEU 24 Cb -0.16 -3.53 0.12 0.00 0.03 0.00 0.00 46.19 42.65 1hsg s LEU 24 CO 0.09 -1.12 0.17 -0.62 0.23 0.00 0.00 176.35 175.10 1hsg s ASP 25 N 3.70 3.62 0.46 2.29 -1.08 -0.27 -4.79 116.67 120.60 1hsg s ASP 25 Ca 0.69 -2.08 0.31 0.00 -0.52 0.00 0.00 52.55 50.96 1hsg s ASP 25 Cb -0.25 -0.78 1.42 0.00 -1.46 0.00 0.00 42.92 41.85 1hsg s ASP 25 CO 0.27 -0.34 1.94 0.71 0.52 0.00 0.00 175.17 178.27 1hsg h THR 26 N 5.73 0.00 -0.01 1.71 1.35 -1.94 -1.86 112.91 117.89 1hsg h THR 26 Ca -0.05 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1hsg h THR 26 Cb 0.97 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1hsg h THR 26 CO 0.43 0.00 -0.10 0.61 -0.25 0.00 0.00 175.52 176.20 1hsg n GLY 27 N -0.30 -0.80 3.59 5.82 0.00 -1.26 -4.76 105.19 107.48 1hsg n GLY 27 Ca 0.00 -0.30 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.38 3.50 0.31 4.61 0.00 -0.70 -4.98 121.76 122.12 1hsg s ALA 28 Ca 0.31 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 51.25 1hsg s ALA 28 Cb 0.20 -2.38 0.50 0.00 0.00 0.00 0.00 23.12 21.44 1hsg s ALA 28 CO 0.45 -0.44 1.85 -0.44 0.00 0.00 0.00 175.76 177.18 1hsg h ASP 29 N 8.11 0.63 -3.03 0.00 3.32 -1.86 0.33 116.42 123.93 1hsg h ASP 29 Ca -0.36 -0.12 -0.49 0.00 0.02 0.00 0.00 57.03 56.08 1hsg h ASP 29 Cb 1.18 -0.17 -0.14 0.00 0.22 0.00 0.00 39.33 40.43 1hsg h ASP 29 CO 0.58 0.66 -0.62 -1.81 -1.72 0.00 0.00 179.24 176.33 1hsg s ASP 30 N -6.66 2.60 -0.23 6.45 1.01 -1.26 -2.87 116.67 115.72 1hsg s ASP 30 Ca -0.09 -1.34 -0.13 0.00 0.71 0.00 0.00 52.55 51.70 1hsg s ASP 30 Cb 0.15 -0.13 -0.04 0.00 1.01 0.00 0.00 42.92 43.91 1hsg s ASP 30 CO 0.78 -0.54 0.30 -0.89 0.21 0.00 0.00 175.17 175.03 1hsg s THR 31 N -3.18 5.26 -0.09 -1.27 2.01 -1.26 -3.57 115.64 113.55 1hsg s THR 31 Ca 0.35 0.47 0.02 0.00 0.31 0.00 0.00 61.69 62.84 1hsg s THR 31 Cb 0.08 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 68.97 1hsg s THR 31 CO 0.15 0.28 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.51 1hsg s VAL 32 N 1.33 1.44 0.13 3.82 1.01 -0.75 -0.81 120.40 126.57 1hsg s VAL 32 Ca 0.14 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.54 1hsg s VAL 32 Cb -0.14 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1hsg s VAL 32 CO 0.07 0.42 -0.04 -0.76 0.00 0.00 0.00 175.10 174.79 1hsg s LEU 33 N 0.71 3.24 1.05 3.92 1.43 0.30 -1.03 118.68 128.30 1hsg s LEU 33 Ca -0.13 -0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 52.48 1hsg s LEU 33 Cb -0.16 -1.97 0.12 0.00 0.03 0.00 0.00 46.19 44.21 1hsg s LEU 33 CO 0.03 0.14 0.46 -0.62 0.23 0.00 0.00 176.35 176.59 1hsg n GLU 34 N 0.36 -1.17 -1.52 1.70 1.02 -1.26 -1.96 120.64 117.81 1hsg n GLU 34 Ca -0.11 -0.31 -0.48 0.00 -0.02 0.00 0.00 57.16 56.24 1hsg n GLU 34 Cb 0.53 -1.92 -0.06 0.00 -0.02 0.00 0.00 31.44 29.98 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 -2.72 1.47 -4.12 3.49 4.07 -1.24 -4.54 120.64 117.05 1hsg n GLU 35 Ca 0.04 0.42 -0.11 0.00 -0.06 0.00 0.00 57.16 57.45 1hsg n GLU 35 Cb 0.57 -2.73 -0.08 0.00 -0.06 0.00 0.00 31.44 29.14 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 6.05 1.41 -0.22 5.31 0.23 -1.26 -5.05 119.30 125.77 1hsg s MET 36 Ca 1.05 -1.51 -0.07 0.00 -1.03 0.00 0.00 55.69 54.13 1hsg s MET 36 Cb -0.67 0.36 -0.03 0.00 -1.53 0.00 0.00 34.83 32.96 1hsg s MET 36 CO 0.45 -0.53 0.07 -1.12 -2.03 0.00 0.00 175.02 171.86 1hsg s SER 37 N -3.12 5.36 0.20 -1.18 0.01 -1.26 -5.02 113.70 108.70 1hsg s SER 37 Ca 0.32 -0.07 0.11 0.00 1.31 0.00 0.00 55.95 57.61 1hsg s SER 37 Cb 0.03 -1.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.28 1hsg s SER 37 CO 0.12 0.07 -0.21 -0.76 0.41 0.00 0.00 173.24 172.86 1hsg s LEU 38 N 1.02 2.47 0.54 2.44 1.43 -1.26 -5.06 118.68 120.26 1hsg s LEU 38 Ca 0.04 -0.91 -0.22 0.00 -1.03 0.00 0.00 54.13 52.01 1hsg s LEU 38 Cb -0.14 -1.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.99 1hsg s LEU 38 CO 0.03 0.05 1.35 -2.16 0.23 0.00 0.00 176.35 175.85 1hsg s PRO 39 N -2.92 3.21 0.19 1.29 0.04 -1.26 -4.94 135.00 130.60 1hsg s PRO 39 Ca 0.21 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1hsg s PRO 39 Cb -0.06 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1hsg s PRO 39 CO 0.10 -1.13 0.00 0.41 0.04 0.00 0.00 177.00 176.42 1hsg n GLY 40 N 0.70 -2.78 3.85 0.56 0.00 -1.26 -4.94 105.19 101.33 1hsg n GLY 40 Ca 0.10 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.55 3.20 0.09 1.61 0.52 -1.26 -5.10 118.95 117.45 1hsg s ARG 41 Ca 0.00 0.80 0.04 0.00 -0.52 0.00 0.00 55.73 56.05 1hsg s ARG 41 Cb 0.00 -2.03 -0.03 0.00 0.52 0.00 0.00 34.95 33.40 1hsg s ARG 41 CO 0.00 -0.87 -0.11 1.67 0.02 0.00 0.00 175.30 176.01 1hsg s TRP 42 N -3.14 1.12 0.35 -0.53 1.48 -1.26 -4.67 118.94 112.28 1hsg s TRP 42 Ca 0.57 -0.58 0.08 0.00 -1.06 0.00 0.00 56.10 55.10 1hsg s TRP 42 Cb -0.12 -0.61 -0.03 0.00 -1.16 0.00 0.00 33.47 31.54 1hsg s TRP 42 CO 0.54 0.03 0.23 0.15 -4.06 0.00 0.00 176.95 173.85 1hsg s LYS 43 N -2.43 2.54 0.14 3.25 1.02 -0.98 -4.93 119.74 118.35 1hsg s LYS 43 Ca 0.03 -1.44 -0.05 0.00 0.02 0.00 0.00 55.97 54.53 1hsg s LYS 43 Cb -0.05 -2.32 -0.06 0.00 -0.52 0.00 0.00 37.83 34.88 1hsg s LYS 43 CO 0.01 0.07 0.38 -1.25 -0.92 0.00 0.00 175.35 173.64 1hsg s PRO 44 N -3.94 3.63 -0.05 -1.68 0.04 -1.26 -1.38 135.00 130.36 1hsg s PRO 44 Ca 0.40 -0.06 -0.11 0.00 0.04 0.00 0.00 61.00 61.27 1hsg s PRO 44 Cb -0.04 -2.86 0.02 0.00 0.04 0.00 0.00 34.50 31.67 1hsg s PRO 44 CO 0.25 0.47 0.25 0.21 0.04 0.00 0.00 177.00 178.22 1hsg s LYS 45 N -2.60 0.47 -0.12 4.56 2.20 -0.79 -4.85 119.74 118.61 1hsg s LYS 45 Ca 0.40 0.02 0.01 0.00 -0.36 0.00 0.00 55.97 56.04 1hsg s LYS 45 Cb -0.12 0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 36.39 1hsg s LYS 45 CO 0.24 -0.10 -0.13 -1.64 -0.36 0.00 0.00 175.35 173.35 1hsg s MET 46 N -0.68 3.25 0.00 4.03 -1.94 -1.26 0.64 119.30 123.34 1hsg s MET 46 Ca -0.08 -0.69 0.07 0.00 -1.71 0.00 0.00 55.69 53.28 1hsg s MET 46 Cb -0.04 -2.59 -0.02 0.00 2.01 0.00 0.00 34.83 34.19 1hsg s MET 46 CO 0.02 0.28 -0.22 0.96 -0.01 0.00 0.00 175.02 176.05 1hsg s ILE 47 N 0.18 1.71 -0.07 2.53 -4.36 -0.82 -4.98 121.20 115.39 1hsg s ILE 47 Ca -0.08 -1.01 0.05 0.00 -0.26 0.00 0.00 60.65 59.36 1hsg s ILE 47 Cb -0.15 -1.44 -0.01 0.00 1.25 0.00 0.00 42.46 42.12 1hsg s ILE 47 CO 0.05 0.41 -0.24 -0.83 0.24 0.00 0.00 174.94 174.57 1hsg s GLY 48 N -0.70 1.28 0.00 6.27 0.00 -1.26 -0.80 107.32 112.11 1hsg s GLY 48 Ca 0.08 -0.99 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1hsg s GLY 48 CO -0.00 -0.51 0.00 0.61 0.00 0.00 0.00 173.10 173.19 1hsg n GLY 49 N 3.16 5.33 3.74 0.20 0.00 -0.49 -4.99 105.19 112.14 1hsg n GLY 49 Ca -0.18 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 1hsg n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hsg s ILE 50 N 3.00 3.86 0.00 -0.61 -1.09 -1.26 -3.79 121.20 121.31 1hsg s ILE 50 Ca 0.00 1.66 0.00 0.00 -2.23 0.00 0.00 60.65 60.08 1hsg s ILE 50 Cb 0.00 -4.06 0.00 0.00 -1.58 0.00 0.00 42.46 36.82 1hsg s ILE 50 CO 0.00 0.31 0.00 0.61 -1.23 0.00 0.00 174.94 174.63 1hsg n GLY 51 N 1.88 1.86 0.00 6.18 0.00 -1.26 -4.91 105.19 108.94 1hsg n GLY 51 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.00 0.54 3.74 -0.02 0.00 -1.25 -5.08 105.19 101.13 1hsg n GLY 52 Ca 0.00 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.96 3.15 0.27 1.61 0.40 -1.26 -1.40 117.98 119.79 1hsg s PHE 53 Ca 0.00 0.08 0.11 0.00 -0.60 0.00 0.00 56.93 56.53 1hsg s PHE 53 Cb 0.00 -1.64 -0.05 0.00 0.51 0.00 0.00 43.02 41.84 1hsg s PHE 53 CO 0.00 0.51 -0.16 0.96 0.70 0.00 0.00 175.22 177.22 1hsg s ILE 54 N -1.27 2.66 -0.20 0.64 -4.36 0.02 -4.98 121.20 113.71 1hsg s ILE 54 Ca 0.25 -2.30 -0.08 0.00 -0.26 0.00 0.00 60.65 58.26 1hsg s ILE 54 Cb -0.12 -2.40 -0.04 0.00 1.25 0.00 0.00 42.46 41.15 1hsg s ILE 54 CO 0.17 -0.38 0.09 -0.54 0.24 0.00 0.00 174.94 174.52 1hsg s LYS 55 N -3.50 4.00 0.36 0.37 -0.14 -1.26 -1.95 119.74 117.63 1hsg s LYS 55 Ca 0.30 -0.32 0.04 0.00 -1.36 0.00 0.00 55.97 54.62 1hsg s LYS 55 Cb -0.05 -3.31 -0.05 0.00 -1.68 0.00 0.00 37.83 32.73 1hsg s LYS 55 CO 0.16 0.20 0.07 0.14 -0.76 0.00 0.00 175.35 175.16 1hsg s VAL 56 N 0.59 1.10 -0.24 3.17 -7.23 0.21 -4.64 120.40 113.36 1hsg s VAL 56 Ca 0.05 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.15 1hsg s VAL 56 Cb -0.13 -2.66 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 1hsg s VAL 56 CO 0.01 0.00 0.06 -0.13 -0.31 0.00 0.00 175.10 174.73 1hsg s ARG 57 N -3.84 3.65 -0.35 4.82 0.52 0.12 -1.89 118.95 121.97 1hsg s ARG 57 Ca 0.31 -0.48 -0.20 0.00 -0.52 0.00 0.00 55.73 54.83 1hsg s ARG 57 Cb 0.07 -3.29 0.00 0.00 0.52 0.00 0.00 34.95 32.25 1hsg s ARG 57 CO 0.15 -0.17 0.63 -1.14 0.02 0.00 0.00 175.30 174.79 1hsg s GLN 58 N 1.54 3.69 0.01 3.54 0.74 -0.48 -0.59 119.66 128.11 1hsg s GLN 58 Ca 0.06 0.06 -0.01 0.00 0.05 0.00 0.00 55.36 55.52 1hsg s GLN 58 Cb -0.15 -3.80 -0.04 0.00 1.10 0.00 0.00 33.01 30.12 1hsg s GLN 58 CO 0.03 -0.72 0.15 0.71 -0.55 0.00 0.00 175.29 174.91 1hsg s TYR 59 N 2.69 3.44 0.24 1.67 1.51 0.08 -2.31 117.35 124.66 1hsg s TYR 59 Ca 0.24 0.28 0.10 0.00 -1.01 0.00 0.00 57.07 56.68 1hsg s TYR 59 Cb -0.15 -1.78 -0.05 0.00 -0.11 0.00 0.00 41.96 39.88 1hsg s TYR 59 CO 0.15 0.60 -0.12 -0.51 -1.11 0.00 0.00 175.55 174.56 1hsg s ASP 60 N -1.99 4.04 -1.46 2.29 1.01 -1.26 -1.63 116.67 117.67 1hsg s ASP 60 Ca 0.27 -0.78 -0.06 0.00 0.71 0.00 0.00 52.55 52.69 1hsg s ASP 60 Cb -0.12 -0.57 0.05 0.00 1.01 0.00 0.00 42.92 43.28 1hsg s ASP 60 CO 0.19 0.05 0.69 1.67 0.21 0.00 0.00 175.17 177.98 1hsg n GLN 61 N -0.45 -4.26 -3.33 8.23 7.27 -1.16 -4.92 117.38 118.77 1hsg n GLN 61 Ca -0.08 0.50 -0.38 0.00 0.07 0.00 0.00 57.00 57.11 1hsg n GLN 61 Cb 0.58 -5.03 -0.06 0.00 2.41 0.00 0.00 30.24 28.15 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 4.94 -0.13 1.69 -1.09 -0.01 -4.71 121.20 118.27 1hsg s ILE 62 Ca 0.28 1.07 -0.25 0.00 -2.23 0.00 0.00 60.65 59.52 1hsg s ILE 62 Cb -0.14 -3.84 -0.02 0.00 -1.58 0.00 0.00 42.46 36.87 1hsg s ILE 62 CO 0.86 0.49 0.80 -0.22 -1.23 0.00 0.00 174.94 175.64 1hsg s LEU 63 N -0.55 4.23 -0.03 2.97 2.96 -1.26 -0.73 118.68 126.27 1hsg s LEU 63 Ca 0.27 1.21 -0.01 0.00 -0.22 0.00 0.00 54.13 55.39 1hsg s LEU 63 Cb -0.18 -3.21 0.03 0.00 0.50 0.00 0.00 46.19 43.33 1hsg s LEU 63 CO 0.15 -0.31 0.05 -0.51 -1.32 0.00 0.00 176.35 174.41 1hsg s ILE 64 N 1.69 -0.06 -0.32 6.68 2.07 0.01 -4.61 121.20 126.65 1hsg s ILE 64 Ca 0.39 0.23 -0.13 0.00 -1.41 0.00 0.00 60.65 59.72 1hsg s ILE 64 Cb -0.17 -0.11 -0.03 0.00 0.13 0.00 0.00 42.46 42.28 1hsg s ILE 64 CO 0.15 0.09 0.27 -0.70 -1.91 0.00 0.00 174.94 172.84 1hsg s GLU 65 N 1.16 3.67 -0.29 3.50 2.12 -0.48 -1.36 118.70 127.02 1hsg s GLU 65 Ca -0.08 -0.46 -0.05 0.00 0.36 0.00 0.00 54.97 54.74 1hsg s GLU 65 Cb -0.13 -3.76 0.02 0.00 0.26 0.00 0.00 34.13 30.52 1hsg s GLU 65 CO -0.03 -0.38 0.04 0.42 -0.54 0.00 0.00 175.26 174.77 1hsg s ILE 66 N 1.83 3.64 -1.48 -3.70 1.01 0.11 -1.19 121.20 121.42 1hsg s ILE 66 Ca 0.08 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.83 1hsg s ILE 66 Cb -0.17 -2.89 0.05 0.00 0.01 0.00 0.00 42.46 39.47 1hsg s ILE 66 CO 0.11 0.09 0.70 0.00 0.00 0.00 0.00 174.94 175.84 1hsg n GLY 68 N -1.71 0.64 3.25 0.00 0.00 -1.26 -4.99 105.19 101.12 1hsg n GLY 68 Ca -0.14 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.73 2.85 -0.04 1.61 4.02 0.19 -5.10 115.29 116.09 1hsg s HIS 69 Ca 0.00 -1.15 -0.25 0.00 1.02 0.00 0.00 55.06 54.68 1hsg s HIS 69 Cb 0.00 -1.97 -0.04 0.00 -1.02 0.00 0.00 32.58 29.55 1hsg s HIS 69 CO 0.00 -0.58 0.77 0.15 1.02 0.00 0.00 174.74 176.10 1hsg s LYS 70 N 1.16 4.47 -0.00 1.40 1.02 -1.26 0.07 119.74 126.59 1hsg s LYS 70 Ca 0.01 1.01 0.06 0.00 0.02 0.00 0.00 55.97 57.07 1hsg s LYS 70 Cb -0.14 -3.44 -0.02 0.00 -0.52 0.00 0.00 37.83 33.71 1hsg s LYS 70 CO -0.05 0.06 -0.18 0.00 -0.92 0.00 0.00 175.35 174.27 1hsg s ALA 71 N 0.75 1.51 -0.20 5.17 0.00 -0.46 -4.92 121.76 123.61 1hsg s ALA 71 Ca 0.41 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.56 1hsg s ALA 71 Cb -0.19 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.60 1hsg s ALA 71 CO 0.21 0.36 -0.17 0.42 0.00 0.00 0.00 175.76 176.58 1hsg s ILE 72 N -0.51 2.04 0.02 0.00 1.01 -1.26 -0.81 121.20 121.68 1hsg s ILE 72 Ca 0.07 -1.09 -0.01 0.00 0.00 0.00 0.00 60.65 59.62 1hsg s ILE 72 Cb -0.07 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.47 1hsg s ILE 72 CO -0.00 0.39 0.06 0.61 0.00 0.00 0.00 174.94 176.00 1hsg n GLY 73 N 4.59 1.51 3.72 6.18 0.00 0.10 -4.81 105.19 116.47 1hsg n GLY 73 Ca -0.19 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.69 4.60 -0.06 2.61 2.01 -1.26 -0.83 115.64 120.01 1hsg s THR 74 Ca 0.01 1.94 0.02 0.00 0.31 0.00 0.00 61.69 63.97 1hsg s THR 74 Cb -0.00 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 68.28 1hsg s THR 74 CO 0.01 0.19 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.34 1hsg s VAL 75 N 0.74 0.95 0.10 3.82 1.01 -0.65 -4.57 120.40 121.80 1hsg s VAL 75 Ca 0.52 -0.36 -0.04 0.00 0.00 0.00 0.00 61.98 62.11 1hsg s VAL 75 Cb -0.23 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1hsg s VAL 75 CO 0.29 0.32 0.31 -0.76 0.00 0.00 0.00 175.10 175.26 1hsg s LEU 76 N 0.84 4.31 -0.04 3.92 1.43 0.01 -0.74 118.68 128.41 1hsg s LEU 76 Ca -0.12 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.50 1hsg s LEU 76 Cb -0.15 -3.13 0.01 0.00 0.03 0.00 0.00 46.19 42.95 1hsg s LEU 76 CO 0.02 0.11 -0.08 -0.69 0.23 0.00 0.00 176.35 175.93 1hsg s VAL 77 N -1.57 0.79 -0.10 -1.59 1.01 0.24 -0.54 120.40 118.65 1hsg s VAL 77 Ca 0.38 -0.31 -0.31 0.00 0.00 0.00 0.00 61.98 61.73 1hsg s VAL 77 Cb -0.13 -0.74 0.11 0.00 0.00 0.00 0.00 36.38 35.63 1hsg s VAL 77 CO 0.25 0.27 1.39 -0.83 0.00 0.00 0.00 175.10 176.18 1hsg s GLY 78 N 0.54 -0.29 -1.45 4.51 0.00 -0.83 0.11 107.32 109.91 1hsg s GLY 78 Ca -0.09 0.36 -0.14 0.00 0.00 0.00 0.00 44.72 44.85 1hsg s GLY 78 CO 0.01 5.39 2.20 -1.55 0.00 0.00 0.00 173.10 179.15 1hsg n PRO 79 N -0.87 2.91 -3.33 2.90 -0.04 -1.26 -3.69 135.00 131.61 1hsg n PRO 79 Ca 0.03 -2.67 -0.36 0.00 -0.04 0.00 0.00 63.50 60.46 1hsg n PRO 79 Cb 0.59 -3.27 -0.06 0.00 -0.04 0.00 0.00 33.50 30.73 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 3.03 4.83 0.28 0.52 -1.32 -1.26 -5.02 115.64 116.70 1hsg s THR 80 Ca 0.47 0.89 -0.00 0.00 -1.21 0.00 0.00 61.69 61.83 1hsg s THR 80 Cb 0.14 -3.75 0.13 0.00 -1.51 0.00 0.00 72.50 67.50 1hsg s THR 80 CO -0.08 0.26 1.80 -0.65 -2.21 0.00 0.00 174.62 173.74 1hsg h PRO 81 N 3.62 0.73 -4.90 7.08 0.11 -1.98 -3.44 132.00 133.22 1hsg h PRO 81 Ca -0.49 -0.18 -0.29 0.00 0.11 0.00 0.00 66.00 65.15 1hsg h PRO 81 Cb 1.19 -0.10 -0.16 0.00 0.11 0.00 0.00 31.00 32.05 1hsg h PRO 81 CO 0.65 0.73 -0.72 0.14 -0.21 0.00 0.00 178.00 178.60 1hsg s VAL 82 N -5.03 0.93 0.18 3.15 -7.23 -1.26 -5.06 120.40 106.08 1hsg s VAL 82 Ca -0.09 -1.83 -0.30 0.00 -1.81 0.00 0.00 61.98 57.95 1hsg s VAL 82 Cb 0.15 -1.57 -0.08 0.00 0.56 0.00 0.00 36.38 35.44 1hsg s VAL 82 CO 0.80 -0.69 1.26 0.20 -0.31 0.00 0.00 175.10 176.35 1hsg s ASN 83 N -2.79 6.98 -0.12 4.85 0.01 -1.26 -4.68 114.94 117.92 1hsg s ASN 83 Ca 0.10 2.31 0.02 0.00 -0.71 0.00 0.00 52.86 54.57 1hsg s ASN 83 Cb 0.01 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 39.08 1hsg s ASN 83 CO -0.01 -0.46 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.32 1hsg s ILE 84 N 0.13 1.62 -0.29 0.60 1.01 -0.20 -0.89 121.20 123.18 1hsg s ILE 84 Ca 0.55 -0.71 -0.14 0.00 0.00 0.00 0.00 60.65 60.36 1hsg s ILE 84 Cb -0.34 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 1hsg s ILE 84 CO 0.37 0.47 0.32 -0.63 0.00 0.00 0.00 174.94 175.46 1hsg s ILE 85 N 1.07 5.21 0.13 2.92 -1.09 0.22 -1.80 121.20 127.86 1hsg s ILE 85 Ca -0.04 0.35 0.01 0.00 -2.23 0.00 0.00 60.65 58.74 1hsg s ILE 85 Cb -0.15 -3.68 0.01 0.00 -1.58 0.00 0.00 42.46 37.07 1hsg s ILE 85 CO -0.04 0.13 0.09 0.61 -1.23 0.00 0.00 174.94 174.50 1hsg n GLY 86 N 4.85 3.08 0.31 6.18 0.00 -1.23 -1.12 105.19 117.26 1hsg n GLY 86 Ca -0.10 -2.21 0.14 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 0.00 -0.10 1.61 3.08 -0.28 -2.33 114.38 116.36 1hsg h ARG 87 Ca -0.08 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 1hsg h ARG 87 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1hsg h ARG 87 CO 0.13 0.00 -0.27 -2.95 -1.07 0.00 0.00 179.97 175.81 1hsg h ASN 88 N 0.00 0.18 0.13 7.04 -1.07 -1.79 -2.38 115.58 117.69 1hsg h ASN 88 Ca 0.06 -0.05 0.00 0.00 0.07 0.00 0.00 56.30 56.38 1hsg h ASN 88 Cb 0.28 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 36.49 1hsg h ASN 88 CO -0.00 0.46 -1.83 0.18 0.07 0.00 0.00 177.43 176.30 1hsg n LEU 89 N -4.16 0.15 -0.09 6.14 4.77 -0.95 -4.07 117.00 118.79 1hsg n LEU 89 Ca -0.01 0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 1hsg n LEU 89 Cb 0.36 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1hsg n LEU 89 CO 0.39 -0.02 0.59 -0.07 -1.33 0.00 0.00 177.39 176.95 1hsg h LEU 90 N 0.00 0.86 -1.16 2.23 3.38 -1.22 -2.86 115.31 116.54 1hsg h LEU 90 Ca 0.00 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 1hsg h LEU 90 Cb 0.98 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1hsg h LEU 90 CO 0.00 1.13 -0.01 0.71 0.09 0.00 0.00 178.44 180.36 1hsg h THR 91 N 0.67 1.21 -0.46 0.22 1.35 -1.61 -1.88 112.91 112.41 1hsg h THR 91 Ca 0.06 -0.85 -0.04 0.00 -0.55 0.00 0.00 66.41 65.04 1hsg h THR 91 Cb 0.92 0.95 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 1hsg h THR 91 CO 0.08 0.29 0.14 1.56 -0.25 0.00 0.00 175.52 177.35 1hsg h GLN 92 N 0.54 0.71 -0.35 4.72 4.20 -1.65 -2.72 115.11 120.56 1hsg h GLN 92 Ca 0.11 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1hsg h GLN 92 Cb 0.37 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1hsg h GLN 92 CO 0.01 0.68 0.00 0.44 -0.67 0.00 0.00 178.83 179.30 1hsg n ILE 93 N -4.54 0.47 -2.07 2.54 -5.35 -1.08 -4.92 119.36 104.41 1hsg n ILE 93 Ca 0.01 -0.44 -0.01 0.00 -0.27 0.00 0.00 62.75 62.04 1hsg n ILE 93 Cb 0.19 0.19 -0.00 0.00 -1.74 0.00 0.00 39.64 38.27 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 0.98 0.40 3.68 3.28 0.00 -0.97 -5.00 105.19 107.56 1hsg n GLY 94 Ca 0.11 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 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 1.29 2.68 -0.16 0.00 -4.23 -1.26 -4.70 115.64 109.25 1hsg s THR 96 Ca 0.26 -2.26 -0.07 0.00 -1.18 0.00 0.00 61.69 58.44 1hsg s THR 96 Cb -0.15 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 1hsg s THR 96 CO 0.10 -0.37 0.06 -0.76 -0.54 0.00 0.00 174.62 173.12 1hsg s LEU 97 N -3.56 3.87 -0.01 4.79 1.43 -1.26 -5.10 118.68 118.83 1hsg s LEU 97 Ca 0.31 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.58 1hsg s LEU 97 Cb -0.04 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 1hsg s LEU 97 CO 0.16 0.23 -0.10 0.20 0.23 0.00 0.00 176.35 177.07 1hsg s ASN 98 N 0.02 1.27 0.00 2.29 0.01 -1.26 -5.30 114.94 111.96 1hsg s ASN 98 Ca 0.06 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 52.01 1hsg s ASN 98 Cb -0.12 -0.20 0.00 0.00 0.41 0.00 0.00 41.25 41.34 1hsg s ASN 98 CO 0.01 0.11 0.00 2.22 -1.51 0.00 0.00 177.10 177.93