#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d1y s GLN 2 N 0.00 3.77 -0.22 0.54 0.74 -1.26 -5.10 119.66 118.13 3d1y s GLN 2 Ca 0.00 -0.43 -0.04 0.00 0.05 0.00 0.00 55.36 54.93 3d1y s GLN 2 Cb 0.00 -3.28 -0.01 0.00 1.10 0.00 0.00 33.01 30.82 3d1y s GLN 2 CO 0.00 -0.02 -0.03 0.42 -0.55 0.00 0.00 175.29 175.12 3d1y s ILE 3 N 1.16 3.55 0.80 -2.34 1.01 -1.26 -5.10 121.20 119.02 3d1y s ILE 3 Ca 0.04 -0.44 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 3d1y s ILE 3 Cb -0.14 -2.62 0.08 0.00 0.01 0.00 0.00 42.46 39.79 3d1y s ILE 3 CO 0.03 0.42 1.16 0.42 0.00 0.00 0.00 174.94 176.97 3d1y s THR 4 N 1.40 2.04 -0.14 2.92 -4.23 -1.26 -5.01 115.64 111.37 3d1y s THR 4 Ca 0.05 -0.04 0.18 0.00 -1.18 0.00 0.00 61.69 60.70 3d1y s THR 4 Cb -0.14 -3.00 0.31 0.00 1.34 0.00 0.00 72.50 71.01 3d1y s THR 4 CO -0.01 0.00 1.18 0.18 -0.54 0.00 0.00 174.62 175.43 3d1y n LEU 5 N -3.28 2.53 0.12 4.79 4.77 -1.26 -4.57 117.00 120.11 3d1y n LEU 5 Ca 0.08 -3.05 0.04 0.00 -0.03 0.00 0.00 56.01 53.06 3d1y n LEU 5 Cb 0.61 -0.43 0.45 0.00 -2.33 0.00 0.00 43.42 41.72 3d1y n LEU 5 CO 0.56 0.70 1.00 -0.50 -1.33 0.00 0.00 177.39 177.82 3d1y h TRP 6 N 0.23 0.27 -2.47 -1.77 4.06 -2.06 -3.43 115.95 110.78 3d1y h TRP 6 Ca 0.00 -0.01 -0.52 0.00 2.06 0.00 0.00 58.89 60.42 3d1y h TRP 6 Cb 1.04 -0.08 -0.14 0.00 -1.00 0.00 0.00 29.16 28.98 3d1y h TRP 6 CO 0.06 0.28 -0.65 0.15 -3.56 0.00 0.00 178.44 174.72 3d1y s LYS 7 N -5.01 1.67 0.26 0.49 -0.14 -1.26 -5.11 119.74 110.63 3d1y s LYS 7 Ca -0.06 -1.88 -0.31 0.00 -1.36 0.00 0.00 55.97 52.36 3d1y s LYS 7 Cb 0.16 -1.22 -0.13 0.00 -1.68 0.00 0.00 37.83 34.97 3d1y s LYS 7 CO 0.72 -0.02 1.51 0.54 -0.76 0.00 0.00 175.35 177.34 3d1y n ARG 8 N -0.69 2.36 -2.61 1.68 1.74 -1.26 -4.87 116.66 113.01 3d1y n ARG 8 Ca -0.05 0.84 -0.43 0.00 -0.77 0.00 0.00 57.85 57.44 3d1y n ARG 8 Cb 0.65 -2.57 0.00 0.00 -1.02 0.00 0.00 32.46 29.52 3d1y n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3d1y n PRO 9 N 2.27 3.23 -3.42 5.56 -0.04 -1.26 -4.95 135.00 136.39 3d1y n PRO 9 Ca 0.11 -3.37 -0.38 0.00 -0.04 0.00 0.00 63.50 59.82 3d1y n PRO 9 Cb 0.34 -3.37 -0.06 0.00 -0.04 0.00 0.00 33.50 30.36 3d1y n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3d1y s LEU 10 N 3.41 4.38 0.19 1.53 1.43 -1.26 -0.91 118.68 127.46 3d1y s LEU 10 Ca 0.51 0.89 0.02 0.00 -1.03 0.00 0.00 54.13 54.52 3d1y s LEU 10 Cb 0.03 -2.63 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 3d1y s LEU 10 CO 0.05 0.18 0.00 0.68 0.23 0.00 0.00 176.35 177.49 3d1y s VAL 11 N -0.29 0.80 0.06 -1.59 -7.23 0.01 -4.95 120.40 107.22 3d1y s VAL 11 Ca 0.24 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.19 3d1y s VAL 11 Cb -0.16 -2.21 -0.06 0.00 0.56 0.00 0.00 36.38 34.51 3d1y s VAL 11 CO 0.12 -0.41 0.67 -0.89 -0.31 0.00 0.00 175.10 174.27 3d1y s THR 12 N -3.57 4.72 0.20 5.32 2.01 -1.26 -0.79 115.64 122.26 3d1y s THR 12 Ca 0.26 1.42 0.10 0.00 0.31 0.00 0.00 61.69 63.78 3d1y s THR 12 Cb 0.06 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 3d1y s THR 12 CO 0.06 0.46 -0.21 0.27 -0.69 0.00 0.00 174.62 174.51 3d1y s ILE 13 N -0.57 2.12 -0.13 1.82 -4.36 0.16 -1.20 121.20 119.04 3d1y s ILE 13 Ca 0.33 -2.05 0.03 0.00 -0.26 0.00 0.00 60.65 58.70 3d1y s ILE 13 Cb -0.20 -2.03 0.01 0.00 1.25 0.00 0.00 42.46 41.49 3d1y s ILE 13 CO 0.21 -0.27 -0.22 -0.75 0.24 0.00 0.00 174.94 174.15 3d1y s LYS 14 N -2.90 3.00 -0.12 0.37 2.20 -0.06 -1.21 119.74 121.03 3d1y s LYS 14 Ca 0.20 -0.85 -0.07 0.00 -0.36 0.00 0.00 55.97 54.89 3d1y s LYS 14 Cb -0.06 -2.40 0.04 0.00 -1.51 0.00 0.00 37.83 33.90 3d1y s LYS 14 CO 0.09 0.02 0.29 -1.50 -0.36 0.00 0.00 175.35 173.89 3d1y s ILE 15 N 0.74 -0.03 -1.47 5.43 2.07 -0.38 -1.38 121.20 126.18 3d1y s ILE 15 Ca -0.09 0.10 -0.02 0.00 -1.41 0.00 0.00 60.65 59.24 3d1y s ILE 15 Cb -0.16 -0.44 0.01 0.00 0.13 0.00 0.00 42.46 42.00 3d1y s ILE 15 CO -0.00 0.04 0.15 0.61 -1.91 0.00 0.00 174.94 173.83 3d1y n GLY 16 N 3.94 -0.50 2.44 1.50 0.00 -1.26 -1.00 105.19 110.31 3d1y n GLY 16 Ca -0.22 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3d1y n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d1y n GLY 17 N -1.05 0.99 3.53 -0.02 0.00 -1.26 -5.02 105.19 102.36 3d1y n GLY 17 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3d1y n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d1y s GLN 18 N -0.19 2.45 -0.03 1.61 -0.21 -0.17 -5.12 119.66 118.01 3d1y s GLN 18 Ca 0.00 -0.75 -0.17 0.00 0.02 0.00 0.00 55.36 54.46 3d1y s GLN 18 Cb 0.00 -2.41 -0.05 0.00 1.00 0.00 0.00 33.01 31.55 3d1y s GLN 18 CO 0.00 0.60 0.46 -0.51 -2.12 0.00 0.00 175.29 173.72 3d1y s LEU 19 N -1.18 4.41 0.05 2.90 1.43 -1.26 -1.25 118.68 123.78 3d1y s LEU 19 Ca 0.15 0.96 -0.02 0.00 -1.03 0.00 0.00 54.13 54.19 3d1y s LEU 19 Cb -0.11 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 3d1y s LEU 19 CO 0.05 0.19 -0.01 -0.54 0.23 0.00 0.00 176.35 176.27 3d1y s LYS 20 N -0.43 0.61 -0.05 1.70 1.02 -0.35 -5.00 119.74 117.24 3d1y s LYS 20 Ca 0.25 -1.16 -0.12 0.00 0.02 0.00 0.00 55.97 54.96 3d1y s LYS 20 Cb -0.17 0.21 -0.05 0.00 -0.52 0.00 0.00 37.83 37.31 3d1y s LYS 20 CO 0.13 -0.12 0.32 -1.21 -0.92 0.00 0.00 175.35 173.56 3d1y s GLU 21 N -3.77 3.81 0.04 1.68 2.02 -1.26 -0.66 118.70 120.55 3d1y s GLU 21 Ca 0.05 0.23 -0.07 0.00 0.02 0.00 0.00 54.97 55.21 3d1y s GLU 21 Cb 0.07 -3.23 -0.01 0.00 0.10 0.00 0.00 34.13 31.06 3d1y s GLU 21 CO -0.10 0.68 0.14 0.00 0.02 0.00 0.00 175.26 176.00 3d1y s ALA 22 N -0.94 -0.18 -0.16 5.21 0.00 0.03 -4.42 121.76 121.29 3d1y s ALA 22 Ca 0.21 -0.45 -0.18 0.00 0.00 0.00 0.00 51.96 51.53 3d1y s ALA 22 Cb -0.15 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 3d1y s ALA 22 CO 0.10 -0.34 0.48 -1.17 0.00 0.00 0.00 175.76 174.83 3d1y s LEU 23 N -2.14 4.21 -0.36 0.00 2.96 0.18 -0.81 118.68 122.72 3d1y s LEU 23 Ca -0.05 0.72 -0.29 0.00 -0.22 0.00 0.00 54.13 54.29 3d1y s LEU 23 Cb -0.01 -2.68 0.01 0.00 0.50 0.00 0.00 46.19 44.02 3d1y s LEU 23 CO -0.05 -0.09 1.23 -0.76 -1.32 0.00 0.00 176.35 175.37 3d1y s LEU 24 N 1.14 3.79 -0.42 -0.68 1.43 -0.09 -0.79 118.68 123.07 3d1y s LEU 24 Ca 0.24 0.95 0.02 0.00 -1.03 0.00 0.00 54.13 54.31 3d1y s LEU 24 Cb -0.15 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.65 3d1y s LEU 24 CO 0.10 -1.12 0.19 -0.62 0.23 0.00 0.00 176.35 175.12 3d1y s ASP 25 N 2.62 3.95 0.55 2.29 -1.08 -0.24 -4.78 116.67 119.97 3d1y s ASP 25 Ca 0.53 -2.44 0.35 0.00 -0.52 0.00 0.00 52.55 50.46 3d1y s ASP 25 Cb -0.13 -1.16 1.57 0.00 -1.46 0.00 0.00 42.92 41.74 3d1y s ASP 25 CO 0.25 -0.30 2.04 0.71 0.52 0.00 0.00 175.17 178.38 3d1y h THR 26 N 5.68 0.00 -0.22 1.71 1.35 -1.93 -2.38 112.91 117.12 3d1y h THR 26 Ca -0.05 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3d1y h THR 26 Cb 0.95 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3d1y h THR 26 CO 0.52 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.40 3d1y n GLY 27 N -0.26 0.19 3.44 5.82 0.00 -1.26 -4.81 105.19 108.31 3d1y n GLY 27 Ca -0.00 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 3d1y n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d1y s ALA 28 N -1.71 2.91 0.25 4.61 0.00 -0.90 -4.99 121.76 121.93 3d1y s ALA 28 Ca 0.24 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.25 3d1y s ALA 28 Cb 0.13 -1.56 0.30 0.00 0.00 0.00 0.00 23.12 21.98 3d1y s ALA 28 CO 0.18 0.05 1.75 -0.44 0.00 0.00 0.00 175.76 177.30 3d1y h ASP 29 N 7.08 0.82 -2.17 0.00 3.32 -1.87 0.25 116.42 123.85 3d1y h ASP 29 Ca -0.33 -0.19 -0.59 0.00 0.02 0.00 0.00 57.03 55.94 3d1y h ASP 29 Cb 1.19 -0.22 -0.12 0.00 0.22 0.00 0.00 39.33 40.40 3d1y h ASP 29 CO 0.61 0.86 -0.71 -1.81 -1.72 0.00 0.00 179.24 176.47 3d1y s ASP 30 N -6.61 3.94 -0.22 6.45 1.01 -1.26 -3.05 116.67 116.93 3d1y s ASP 30 Ca -0.10 -0.92 -0.14 0.00 0.71 0.00 0.00 52.55 52.11 3d1y s ASP 30 Cb 0.15 -0.49 -0.04 0.00 1.01 0.00 0.00 42.92 43.54 3d1y s ASP 30 CO 0.82 -0.01 0.30 -0.89 0.21 0.00 0.00 175.17 175.60 3d1y s THR 31 N -2.46 5.26 -0.08 -1.27 2.01 -1.26 -3.19 115.64 114.65 3d1y s THR 31 Ca 0.31 0.49 0.00 0.00 0.31 0.00 0.00 61.69 62.81 3d1y s THR 31 Cb -0.05 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.85 3d1y s THR 31 CO 0.17 0.29 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.63 3d1y s VAL 32 N 1.19 0.85 0.06 3.82 1.01 -0.49 -1.18 120.40 125.66 3d1y s VAL 32 Ca 0.14 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 61.99 3d1y s VAL 32 Cb -0.14 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 3d1y s VAL 32 CO 0.06 0.32 -0.24 -0.63 0.00 0.00 0.00 175.10 174.61 3d1y s ILE 33 N 1.40 2.33 0.95 2.22 -1.09 0.24 -0.67 121.20 126.57 3d1y s ILE 33 Ca -0.02 -1.41 -0.11 0.00 -2.23 0.00 0.00 60.65 56.88 3d1y s ILE 33 Cb -0.13 -1.95 0.13 0.00 -1.58 0.00 0.00 42.46 38.93 3d1y s ILE 33 CO -0.04 0.31 0.92 -1.84 -1.23 0.00 0.00 174.94 173.06 3d1y n GLU 34 N 1.55 -0.60 -1.66 2.79 0.28 -1.25 -1.50 120.64 120.25 3d1y n GLU 34 Ca -0.17 -0.12 -0.47 0.00 -0.16 0.00 0.00 57.16 56.24 3d1y n GLU 34 Cb 0.52 -2.21 -0.05 0.00 1.43 0.00 0.00 31.44 31.13 3d1y n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3d1y n GLU 35 N -3.61 1.96 -3.55 3.44 -0.58 -1.21 -4.57 120.64 112.52 3d1y n GLU 35 Ca 0.10 0.71 -0.10 0.00 -0.42 0.00 0.00 57.16 57.45 3d1y n GLU 35 Cb 0.53 -2.46 -0.02 0.00 -0.57 0.00 0.00 31.44 28.92 3d1y n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3d1y s MET 36 N 1.17 1.32 0.08 3.49 0.23 -1.26 -5.04 119.30 119.30 3d1y s MET 36 Ca 0.81 -0.57 -0.20 0.00 -1.03 0.00 0.00 55.69 54.70 3d1y s MET 36 Cb -0.73 0.55 -0.07 0.00 -1.53 0.00 0.00 34.83 33.05 3d1y s MET 36 CO 0.41 -0.59 0.59 0.45 -2.03 0.00 0.00 175.02 173.86 3d1y s SER 37 N -2.76 7.11 0.09 -1.18 0.15 -1.26 -5.03 113.70 110.82 3d1y s SER 37 Ca 0.04 1.31 0.06 0.00 0.70 0.00 0.00 55.95 58.06 3d1y s SER 37 Cb -0.02 -2.38 -0.03 0.00 -1.71 0.00 0.00 66.02 61.88 3d1y s SER 37 CO -0.07 0.27 -0.15 -0.76 1.20 0.00 0.00 173.24 173.72 3d1y s LEU 38 N -1.11 2.31 0.67 3.45 1.43 -1.26 -4.92 118.68 119.25 3d1y s LEU 38 Ca 0.30 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 3d1y s LEU 38 Cb -0.20 -0.60 -0.01 0.00 0.03 0.00 0.00 46.19 45.41 3d1y s LEU 38 CO 0.20 -0.07 1.05 -2.16 0.23 0.00 0.00 176.35 175.60 3d1y s PRO 39 N -2.01 3.14 0.72 1.29 0.04 -1.26 -4.94 135.00 131.98 3d1y s PRO 39 Ca 0.02 0.92 0.00 0.00 0.04 0.00 0.00 61.00 61.99 3d1y s PRO 39 Cb -0.09 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.44 3d1y s PRO 39 CO 0.03 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.54 3d1y n GLY 40 N -2.09 -1.86 3.82 0.56 0.00 -1.26 -4.97 105.19 99.38 3d1y n GLY 40 Ca 0.07 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 3d1y n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d1y s ARG 41 N 0.00 3.76 0.18 1.61 0.52 -1.26 -5.08 118.95 118.67 3d1y s ARG 41 Ca 0.00 1.11 -0.05 0.00 -0.52 0.00 0.00 55.73 56.26 3d1y s ARG 41 Cb 0.00 -2.10 -0.02 0.00 0.52 0.00 0.00 34.95 33.34 3d1y s ARG 41 CO 0.00 -0.44 0.21 1.67 0.02 0.00 0.00 175.30 176.77 3d1y s TRP 42 N -2.43 0.70 0.02 -0.53 1.48 -1.26 -4.40 118.94 112.52 3d1y s TRP 42 Ca 0.62 -1.03 -0.06 0.00 -1.06 0.00 0.00 56.10 54.57 3d1y s TRP 42 Cb -0.13 -0.26 -0.00 0.00 -1.16 0.00 0.00 33.47 31.92 3d1y s TRP 42 CO 0.29 -0.69 0.11 -1.59 -4.06 0.00 0.00 176.95 171.02 3d1y s LYS 43 N -4.04 0.53 0.58 3.25 -2.85 -0.80 -4.93 119.74 111.49 3d1y s LYS 43 Ca 0.25 -0.58 -0.16 0.00 -1.00 0.00 0.00 55.97 54.48 3d1y s LYS 43 Cb 0.05 0.21 -0.04 0.00 -2.06 0.00 0.00 37.83 35.99 3d1y s LYS 43 CO 0.05 -0.13 1.05 -1.25 0.10 0.00 0.00 175.35 175.16 3d1y s PRO 44 N -1.99 3.42 -0.02 1.78 0.04 -1.26 -0.55 135.00 136.41 3d1y s PRO 44 Ca -0.10 1.16 -0.18 0.00 0.04 0.00 0.00 61.00 61.92 3d1y s PRO 44 Cb -0.05 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.48 3d1y s PRO 44 CO -0.02 -0.72 0.38 0.21 0.04 0.00 0.00 177.00 176.89 3d1y s LYS 45 N -4.09 0.74 -0.14 4.56 2.20 -0.62 -4.84 119.74 117.54 3d1y s LYS 45 Ca 0.63 -0.09 -0.01 0.00 -0.36 0.00 0.00 55.97 56.13 3d1y s LYS 45 Cb -0.15 0.33 -0.02 0.00 -1.51 0.00 0.00 37.83 36.48 3d1y s LYS 45 CO 0.36 -0.21 -0.10 -1.64 -0.36 0.00 0.00 175.35 173.41 3d1y s MET 46 N -1.27 3.48 0.11 4.03 -1.94 -1.26 -0.78 119.30 121.67 3d1y s MET 46 Ca -0.13 -0.63 0.09 0.00 -1.71 0.00 0.00 55.69 53.31 3d1y s MET 46 Cb -0.04 -2.74 -0.04 0.00 2.01 0.00 0.00 34.83 34.03 3d1y s MET 46 CO 0.05 0.21 -0.23 0.96 -0.01 0.00 0.00 175.02 176.01 3d1y s ILE 47 N 0.38 1.86 0.26 2.53 -4.36 -0.56 -4.95 121.20 116.37 3d1y s ILE 47 Ca -0.08 -1.59 0.05 0.00 -0.26 0.00 0.00 60.65 58.77 3d1y s ILE 47 Cb -0.15 -1.68 -0.06 0.00 1.25 0.00 0.00 42.46 41.82 3d1y s ILE 47 CO 0.05 -0.01 -0.02 -0.83 0.24 0.00 0.00 174.94 174.37 3d1y s GLY 48 N -1.92 1.74 0.00 6.27 0.00 -1.26 -0.87 107.32 111.29 3d1y s GLY 48 Ca 0.09 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 42.94 3d1y s GLY 48 CO 0.05 -1.76 0.00 0.61 0.00 0.00 0.00 173.10 171.99 3d1y n GLY 49 N -0.53 1.89 0.32 0.20 0.00 -0.57 -5.00 105.19 101.51 3d1y n GLY 49 Ca -0.05 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 3d1y n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3d1y h ILE 50 N 0.00 0.33 -0.73 -0.61 1.08 -2.03 -2.47 117.51 113.08 3d1y h ILE 50 Ca 0.00 0.00 -0.33 0.00 -0.39 0.00 0.00 64.86 64.14 3d1y h ILE 50 Cb 0.00 0.33 -0.20 0.00 -3.07 0.00 0.00 36.82 33.89 3d1y h ILE 50 CO 0.00 0.00 0.42 0.61 -0.69 0.00 0.00 178.15 178.49 3d1y n GLY 51 N -1.40 3.73 0.00 5.37 0.00 -1.26 -5.04 105.19 106.59 3d1y n GLY 51 Ca -0.04 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3d1y n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d1y n GLY 52 N -0.55 0.04 3.58 -0.02 0.00 -0.93 -5.06 105.19 102.25 3d1y n GLY 52 Ca 0.43 -2.09 -0.28 0.00 0.00 0.00 0.00 46.02 44.07 3d1y n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d1y s PHE 53 N 0.00 2.70 0.02 1.61 0.40 -1.26 -1.51 117.98 119.93 3d1y s PHE 53 Ca 0.00 -0.18 0.04 0.00 -0.60 0.00 0.00 56.93 56.18 3d1y s PHE 53 Cb 0.00 -1.37 -0.02 0.00 0.51 0.00 0.00 43.02 42.14 3d1y s PHE 53 CO 0.00 0.46 -0.12 0.08 0.70 0.00 0.00 175.22 176.35 3d1y s VAL 54 N -1.43 0.91 -0.01 -0.44 1.01 -0.05 -4.97 120.40 115.44 3d1y s VAL 54 Ca 0.23 -0.74 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 3d1y s VAL 54 Cb -0.10 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 3d1y s VAL 54 CO 0.14 0.08 0.75 -0.75 0.00 0.00 0.00 175.10 175.32 3d1y s LYS 55 N -0.75 4.46 0.22 2.72 2.20 -1.26 -1.49 119.74 125.84 3d1y s LYS 55 Ca 0.02 1.00 0.02 0.00 -0.36 0.00 0.00 55.97 56.65 3d1y s LYS 55 Cb -0.06 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 3d1y s LYS 55 CO 0.00 0.18 0.03 0.14 -0.36 0.00 0.00 175.35 175.34 3d1y s VAL 56 N 0.36 0.76 -0.19 4.02 -7.23 0.04 -4.52 120.40 113.63 3d1y s VAL 56 Ca 0.39 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.47 3d1y s VAL 56 Cb -0.19 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 3d1y s VAL 56 CO 0.21 -0.26 0.10 -0.13 -0.31 0.00 0.00 175.10 174.70 3d1y s ARG 57 N -3.94 4.06 -0.32 4.82 0.52 -0.15 -1.59 118.95 122.35 3d1y s ARG 57 Ca 0.30 -0.29 -0.13 0.00 -0.52 0.00 0.00 55.73 55.09 3d1y s ARG 57 Cb 0.07 -3.32 -0.03 0.00 0.52 0.00 0.00 34.95 32.19 3d1y s ARG 57 CO 0.09 0.26 0.27 -1.14 0.02 0.00 0.00 175.30 174.79 3d1y s GLN 58 N 0.44 3.69 -0.19 3.54 0.74 0.28 -0.87 119.66 127.30 3d1y s GLN 58 Ca 0.05 -0.43 -0.04 0.00 0.05 0.00 0.00 55.36 54.99 3d1y s GLN 58 Cb -0.12 -3.75 -0.02 0.00 1.10 0.00 0.00 33.01 30.22 3d1y s GLN 58 CO -0.00 -0.37 -0.02 0.71 -0.55 0.00 0.00 175.29 175.06 3d1y s TYR 59 N 1.83 3.03 0.26 1.67 1.51 -0.35 -1.90 117.35 123.40 3d1y s TYR 59 Ca 0.08 -0.44 0.03 0.00 -1.01 0.00 0.00 57.07 55.74 3d1y s TYR 59 Cb -0.17 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.61 3d1y s TYR 59 CO 0.11 -0.19 0.41 -0.51 -1.11 0.00 0.00 175.55 174.26 3d1y s ASP 60 N 0.81 6.32 -1.24 2.29 1.01 -1.26 -0.90 116.67 123.70 3d1y s ASP 60 Ca -0.00 0.22 -0.01 0.00 0.71 0.00 0.00 52.55 53.47 3d1y s ASP 60 Cb -0.14 -1.93 -0.00 0.00 1.01 0.00 0.00 42.92 41.85 3d1y s ASP 60 CO 0.02 -0.12 0.86 0.00 0.21 0.00 0.00 175.17 176.14 3d1y n GLN 61 N -1.37 -5.52 -4.06 8.23 6.02 -1.17 -4.92 117.38 114.59 3d1y n GLN 61 Ca -0.07 0.74 -0.34 0.00 -0.01 0.00 0.00 57.00 57.32 3d1y n GLN 61 Cb 0.56 -5.53 -0.10 0.00 1.02 0.00 0.00 30.24 26.19 3d1y n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3d1y s ILE 62 N -3.50 4.62 0.13 5.09 -1.09 -0.19 -4.85 121.20 121.41 3d1y s ILE 62 Ca 0.04 -0.09 -0.23 0.00 -2.23 0.00 0.00 60.65 58.13 3d1y s ILE 62 Cb -0.01 -3.08 -0.07 0.00 -1.58 0.00 0.00 42.46 37.72 3d1y s ILE 62 CO 0.77 0.46 0.70 -0.63 -1.23 0.00 0.00 174.94 175.01 3d1y s ILE 63 N 0.44 4.50 0.03 2.92 1.01 -1.26 -1.58 121.20 127.26 3d1y s ILE 63 Ca 0.02 1.53 0.01 0.00 0.00 0.00 0.00 60.65 62.22 3d1y s ILE 63 Cb -0.13 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 3d1y s ILE 63 CO 0.01 0.53 -0.05 -0.51 0.00 0.00 0.00 174.94 174.92 3d1y s ILE 64 N -1.12 0.34 -0.19 2.92 2.07 -0.24 -4.53 121.20 120.45 3d1y s ILE 64 Ca 0.33 -0.83 -0.03 0.00 -1.41 0.00 0.00 60.65 58.71 3d1y s ILE 64 Cb -0.22 -0.42 -0.02 0.00 0.13 0.00 0.00 42.46 41.94 3d1y s ILE 64 CO 0.24 -0.33 -0.05 -0.70 -1.91 0.00 0.00 174.94 172.19 3d1y s GLU 65 N -1.24 3.47 -0.26 3.50 2.12 -0.48 -1.03 118.70 124.79 3d1y s GLU 65 Ca -0.10 -0.60 0.03 0.00 0.36 0.00 0.00 54.97 54.66 3d1y s GLU 65 Cb -0.08 -2.94 0.06 0.00 0.26 0.00 0.00 34.13 31.42 3d1y s GLU 65 CO -0.00 -0.02 -0.11 0.42 -0.54 0.00 0.00 175.26 175.00 3d1y s ILE 66 N 1.04 2.18 -1.65 -3.70 1.01 0.17 -0.88 121.20 119.36 3d1y s ILE 66 Ca 0.01 -1.60 -0.17 0.00 0.00 0.00 0.00 60.65 58.88 3d1y s ILE 66 Cb -0.15 -2.27 0.14 0.00 0.01 0.00 0.00 42.46 40.19 3d1y s ILE 66 CO 0.00 -0.00 0.84 0.00 0.00 0.00 0.00 174.94 175.78 3d1y n ALA 67 N 4.44 -1.27 -0.28 9.38 0.00 -0.34 -1.13 120.51 131.31 3d1y n ALA 67 Ca -0.14 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3d1y n ALA 67 Cb 0.42 -3.77 0.00 0.00 0.00 0.00 0.00 19.45 16.11 3d1y n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d1y n GLY 68 N -1.49 1.01 3.33 0.00 0.00 -1.26 -5.03 105.19 101.75 3d1y n GLY 68 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3d1y n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3d1y s HIS 69 N -2.76 2.95 0.22 1.61 4.02 -0.28 -5.09 115.29 115.97 3d1y s HIS 69 Ca 0.00 -0.88 -0.26 0.00 1.02 0.00 0.00 55.06 54.94 3d1y s HIS 69 Cb 0.00 -2.08 -0.09 0.00 -1.02 0.00 0.00 32.58 29.39 3d1y s HIS 69 CO 0.00 -0.50 0.84 0.15 1.02 0.00 0.00 174.74 176.26 3d1y s LYS 70 N 1.34 4.61 0.10 1.40 1.02 -1.26 -0.66 119.74 126.29 3d1y s LYS 70 Ca 0.04 1.24 -0.09 0.00 0.02 0.00 0.00 55.97 57.18 3d1y s LYS 70 Cb -0.14 -3.13 -0.00 0.00 -0.52 0.00 0.00 37.83 34.03 3d1y s LYS 70 CO -0.02 0.48 0.20 0.00 -0.92 0.00 0.00 175.35 175.09 3d1y s ALA 71 N -1.29 -0.22 0.02 5.17 0.00 -0.20 -4.85 121.76 120.40 3d1y s ALA 71 Ca 0.41 -0.63 0.04 0.00 0.00 0.00 0.00 51.96 51.78 3d1y s ALA 71 Cb -0.22 0.52 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 3d1y s ALA 71 CO 0.27 -0.52 -0.13 -1.50 0.00 0.00 0.00 175.76 173.88 3d1y s ILE 72 N -3.87 1.00 -1.01 0.00 2.07 -1.26 -1.08 121.20 117.05 3d1y s ILE 72 Ca 0.06 -0.81 0.00 0.00 -1.41 0.00 0.00 60.65 58.49 3d1y s ILE 72 Cb 0.05 -0.89 0.00 0.00 0.13 0.00 0.00 42.46 41.74 3d1y s ILE 72 CO -0.10 0.08 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 3d1y n GLY 73 N 2.21 -1.06 3.74 1.50 0.00 -0.61 -4.93 105.19 106.04 3d1y n GLY 73 Ca -0.17 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 3d1y n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d1y s THR 74 N -3.00 4.31 -0.07 2.61 2.01 -1.26 -1.02 115.64 119.22 3d1y s THR 74 Ca 0.00 2.03 0.03 0.00 0.31 0.00 0.00 61.69 64.07 3d1y s THR 74 Cb 0.00 -4.30 0.01 0.00 0.01 0.00 0.00 72.50 68.22 3d1y s THR 74 CO 0.00 0.37 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.44 3d1y s VAL 75 N -0.38 1.51 -0.13 3.82 1.01 -0.08 -4.54 120.40 121.62 3d1y s VAL 75 Ca 0.45 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.65 3d1y s VAL 75 Cb -0.25 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 3d1y s VAL 75 CO 0.31 0.44 0.13 -0.76 0.00 0.00 0.00 175.10 175.22 3d1y s LEU 76 N 0.45 4.30 -0.10 3.92 1.43 -0.33 -1.21 118.68 127.14 3d1y s LEU 76 Ca -0.14 0.41 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 3d1y s LEU 76 Cb -0.16 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 44.01 3d1y s LEU 76 CO 0.05 0.37 -0.18 -0.69 0.23 0.00 0.00 176.35 176.13 3d1y s VAL 77 N -0.77 1.68 -0.07 -1.59 1.01 -0.05 -0.60 120.40 120.01 3d1y s VAL 77 Ca 0.14 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3d1y s VAL 77 Cb -0.12 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.76 3d1y s VAL 77 CO 0.03 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3d1y n GLY 78 N 3.92 -1.21 2.90 4.51 0.00 -0.56 -0.98 105.19 113.77 3d1y n GLY 78 Ca -0.20 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 3d1y n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3d1y n PRO 79 N 0.00 3.05 -3.68 1.61 -0.04 -1.26 -3.30 135.00 131.37 3d1y n PRO 79 Ca 0.00 -2.89 -0.37 0.00 -0.04 0.00 0.00 63.50 60.19 3d1y n PRO 79 Cb 0.00 -3.25 -0.06 0.00 -0.04 0.00 0.00 33.50 30.15 3d1y n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3d1y s THR 80 N 2.84 5.27 -0.49 0.52 -1.32 -1.26 -4.98 115.64 116.22 3d1y s THR 80 Ca 0.47 0.52 0.25 0.00 -1.21 0.00 0.00 61.69 61.72 3d1y s THR 80 Cb 0.11 -3.56 0.27 0.00 -1.51 0.00 0.00 72.50 67.82 3d1y s THR 80 CO -0.05 0.58 1.75 1.55 -2.21 0.00 0.00 174.62 176.25 3d1y h PRO 81 N 5.02 0.00 -3.54 7.08 0.13 -1.99 -3.43 132.00 135.28 3d1y h PRO 81 Ca -0.52 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.36 3d1y h PRO 81 Cb 1.22 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.05 3d1y h PRO 81 CO 0.61 0.00 -0.68 0.08 -0.23 0.00 0.00 178.00 177.79 3d1y s VAL 82 N -3.29 -0.03 0.15 1.56 1.01 -1.26 -5.09 120.40 113.45 3d1y s VAL 82 Ca 0.06 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 3d1y s VAL 82 Cb 0.10 -0.10 -0.07 0.00 0.00 0.00 0.00 36.38 36.31 3d1y s VAL 82 CO 0.47 0.04 1.21 0.20 0.00 0.00 0.00 175.10 177.01 3d1y s ASN 83 N 0.51 7.07 -0.06 3.32 0.01 -1.26 -4.81 114.94 119.72 3d1y s ASN 83 Ca -0.04 2.18 0.04 0.00 -0.71 0.00 0.00 52.86 54.32 3d1y s ASN 83 Cb -0.06 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.01 3d1y s ASN 83 CO -0.02 -0.41 -0.18 0.27 -1.51 0.00 0.00 177.10 175.25 3d1y s ILE 84 N 0.32 1.54 -0.41 0.60 -4.36 0.15 -0.65 121.20 118.39 3d1y s ILE 84 Ca 0.55 -0.75 -0.16 0.00 -0.26 0.00 0.00 60.65 60.04 3d1y s ILE 84 Cb -0.32 -1.34 0.02 0.00 1.25 0.00 0.00 42.46 42.07 3d1y s ILE 84 CO 0.34 0.44 0.37 -0.63 0.24 0.00 0.00 174.94 175.70 3d1y s ILE 85 N 0.28 5.17 0.39 8.37 -1.09 0.03 -1.39 121.20 132.95 3d1y s ILE 85 Ca -0.11 -0.44 0.04 0.00 -2.23 0.00 0.00 60.65 57.92 3d1y s ILE 85 Cb -0.14 -3.96 0.07 0.00 -1.58 0.00 0.00 42.46 36.84 3d1y s ILE 85 CO 0.04 -0.33 0.54 0.61 -1.23 0.00 0.00 174.94 174.57 3d1y n GLY 86 N 5.12 1.48 0.28 6.18 0.00 -1.19 -1.08 105.19 115.97 3d1y n GLY 86 Ca -0.09 -2.12 0.06 0.00 0.00 0.00 0.00 46.02 43.87 3d1y n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3d1y h ARG 87 N 0.00 0.21 -0.11 1.61 3.08 -0.99 -0.87 114.38 117.31 3d1y h ARG 87 Ca -0.18 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.89 3d1y h ARG 87 Cb 0.76 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 3d1y h ARG 87 CO 0.23 0.14 0.09 -2.95 -1.07 0.00 0.00 179.97 176.41 3d1y h ASN 88 N 0.21 0.00 0.00 7.04 -1.07 -1.80 -1.86 115.58 118.10 3d1y h ASN 88 Ca 0.06 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.16 3d1y h ASN 88 Cb -0.02 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.18 3d1y h ASN 88 CO -0.01 0.00 -2.09 0.18 0.07 0.00 0.00 177.43 175.58 3d1y n LEU 89 N -4.28 0.00 -0.22 6.14 4.77 -0.76 -4.48 117.00 118.17 3d1y n LEU 89 Ca -0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 3d1y n LEU 89 Cb 0.20 0.36 0.26 0.00 -2.33 0.00 0.00 43.42 41.91 3d1y n LEU 89 CO 0.32 0.36 1.24 -0.07 -1.33 0.00 0.00 177.39 177.91 3d1y h LEU 90 N 0.00 0.83 -1.42 2.23 3.38 -0.88 -1.43 115.31 118.04 3d1y h LEU 90 Ca -0.39 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.58 3d1y h LEU 90 Cb 1.87 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.39 3d1y h LEU 90 CO 0.02 0.59 0.41 0.71 0.09 0.00 0.00 178.44 180.26 3d1y h THR 91 N 0.98 1.12 0.00 0.22 1.35 -1.57 -2.14 112.91 112.87 3d1y h THR 91 Ca 0.29 -0.27 -0.06 0.00 -0.55 0.00 0.00 66.41 65.82 3d1y h THR 91 Cb -0.02 0.27 -0.01 0.00 -1.73 0.00 0.00 68.15 66.65 3d1y h THR 91 CO -0.08 0.14 -0.29 1.56 -0.25 0.00 0.00 175.52 176.61 3d1y h GLN 92 N 0.78 0.00 -0.31 4.72 1.08 -1.48 -1.84 115.11 118.07 3d1y h GLN 92 Ca 0.24 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.44 3d1y h GLN 92 Cb -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3d1y h GLN 92 CO -0.06 0.29 0.00 0.44 -0.95 0.00 0.00 178.83 178.55 3d1y n ILE 93 N -3.42 0.39 -1.66 2.54 -5.35 -1.08 -4.94 119.36 105.85 3d1y n ILE 93 Ca 0.00 -0.58 -0.03 0.00 -0.27 0.00 0.00 62.75 61.87 3d1y n ILE 93 Cb 0.48 0.70 -0.01 0.00 -1.74 0.00 0.00 39.64 39.07 3d1y n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3d1y n GLY 94 N 1.34 0.40 3.75 3.28 0.00 -0.69 -5.00 105.19 108.27 3d1y n GLY 94 Ca 0.18 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 3d1y n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d1y s ALA 95 N -2.14 3.42 0.08 4.61 0.00 -0.83 -5.04 121.76 121.86 3d1y s ALA 95 Ca 0.00 0.93 0.03 0.00 0.00 0.00 0.00 51.96 52.92 3d1y s ALA 95 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 3d1y s ALA 95 CO 0.00 -0.26 -0.09 0.95 0.00 0.00 0.00 175.76 176.35 3d1y s THR 96 N -0.70 0.81 -0.17 0.00 -4.23 -1.26 -4.75 115.64 105.34 3d1y s THR 96 Ca 0.48 -1.49 -0.13 0.00 -1.18 0.00 0.00 61.69 59.37 3d1y s THR 96 Cb -0.32 -1.16 -0.05 0.00 1.34 0.00 0.00 72.50 72.31 3d1y s THR 96 CO 0.40 -0.52 0.27 -0.22 -0.54 0.00 0.00 174.62 174.01 3d1y s LEU 97 N -2.21 4.23 -0.05 4.79 2.96 -1.26 -5.09 118.68 122.05 3d1y s LEU 97 Ca 0.01 0.46 0.03 0.00 -0.22 0.00 0.00 54.13 54.41 3d1y s LEU 97 Cb -0.05 -2.34 0.01 0.00 0.50 0.00 0.00 46.19 44.31 3d1y s LEU 97 CO -0.00 0.10 -0.13 0.20 -1.32 0.00 0.00 176.35 175.19 3d1y s ASN 98 N 0.50 1.81 0.00 3.68 0.01 -1.26 -5.30 114.94 114.38 3d1y s ASN 98 Ca 0.15 -0.30 0.00 0.00 -0.71 0.00 0.00 52.86 52.00 3d1y s ASN 98 Cb -0.13 -0.69 0.00 0.00 0.41 0.00 0.00 41.25 40.85 3d1y s ASN 98 CO 0.03 0.08 0.00 2.22 -1.51 0.00 0.00 177.10 177.92