#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r3w s GLN 2 N 0.00 2.98 -0.19 0.54 0.74 -1.26 -5.11 119.66 117.35 2r3w s GLN 2 Ca 0.00 -0.86 -0.01 0.00 0.05 0.00 0.00 55.36 54.54 2r3w s GLN 2 Cb 0.00 -2.76 0.00 0.00 1.10 0.00 0.00 33.01 31.35 2r3w s GLN 2 CO 0.00 -0.27 -0.12 0.42 -0.55 0.00 0.00 175.29 174.77 2r3w s ILE 3 N 1.32 2.77 0.77 -2.34 1.01 -1.26 -5.11 121.20 118.36 2r3w s ILE 3 Ca 0.03 -0.70 -0.10 0.00 0.00 0.00 0.00 60.65 59.88 2r3w s ILE 3 Cb -0.14 -2.22 0.08 0.00 0.01 0.00 0.00 42.46 40.19 2r3w s ILE 3 CO -0.09 0.48 1.11 0.42 0.00 0.00 0.00 174.94 176.86 2r3w s THR 4 N 1.28 2.13 -0.14 2.92 -4.23 -1.26 -5.04 115.64 111.30 2r3w s THR 4 Ca 0.04 -0.14 0.19 0.00 -1.18 0.00 0.00 61.69 60.60 2r3w s THR 4 Cb -0.14 -2.99 0.32 0.00 1.34 0.00 0.00 72.50 71.03 2r3w s THR 4 CO -0.06 0.00 1.18 0.18 -0.54 0.00 0.00 174.62 175.38 2r3w n LEU 5 N -3.15 2.54 0.25 4.79 4.77 -1.26 -4.60 117.00 120.33 2r3w n LEU 5 Ca 0.09 -3.10 0.09 0.00 -0.03 0.00 0.00 56.01 53.05 2r3w n LEU 5 Cb 0.61 -0.45 0.65 0.00 -2.33 0.00 0.00 43.42 41.90 2r3w n LEU 5 CO 0.54 0.72 0.98 -0.50 -1.33 0.00 0.00 177.39 177.80 2r3w h TRP 6 N 0.23 0.00 -2.80 -1.77 4.06 -2.06 -3.43 115.95 110.17 2r3w h TRP 6 Ca 0.00 0.00 -0.47 0.00 2.06 0.00 0.00 58.89 60.48 2r3w h TRP 6 Cb 1.05 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.07 2r3w h TRP 6 CO 0.08 0.11 -0.64 -0.65 -3.56 0.00 0.00 178.44 173.78 2r3w s GLN 7 N -4.58 1.57 0.29 0.49 -0.21 -1.26 -5.10 119.66 110.85 2r3w s GLN 7 Ca -0.04 -1.83 -0.30 0.00 0.02 0.00 0.00 55.36 53.22 2r3w s GLN 7 Cb 0.15 -0.97 -0.13 0.00 1.00 0.00 0.00 33.01 33.07 2r3w s GLN 7 CO 0.64 -0.08 1.41 0.54 -2.12 0.00 0.00 175.29 175.69 2r3w n ARG 8 N -0.61 2.23 -1.91 2.91 1.74 -1.26 -4.85 116.66 114.91 2r3w n ARG 8 Ca -0.04 0.79 -0.41 0.00 -0.77 0.00 0.00 57.85 57.42 2r3w n ARG 8 Cb 0.65 -2.45 -0.02 0.00 -1.02 0.00 0.00 32.46 29.62 2r3w n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2r3w n PRO 9 N 1.51 2.60 -3.19 5.56 -0.04 -1.26 -4.93 135.00 135.24 2r3w n PRO 9 Ca 0.08 -2.66 -0.39 0.00 -0.04 0.00 0.00 63.50 60.50 2r3w n PRO 9 Cb 0.34 -3.33 -0.05 0.00 -0.04 0.00 0.00 33.50 30.42 2r3w n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2r3w s LEU 10 N 3.51 4.33 0.27 1.53 1.43 -1.26 -1.20 118.68 127.29 2r3w s LEU 10 Ca 0.53 1.04 0.04 0.00 -1.03 0.00 0.00 54.13 54.70 2r3w s LEU 10 Cb 0.10 -2.89 -0.06 0.00 0.03 0.00 0.00 46.19 43.37 2r3w s LEU 10 CO 0.02 -0.01 0.02 0.68 0.23 0.00 0.00 176.35 177.29 2r3w s VAL 11 N 0.45 1.12 -0.03 -1.59 -7.23 0.03 -4.95 120.40 108.20 2r3w s VAL 11 Ca 0.31 -2.03 -0.15 0.00 -1.81 0.00 0.00 61.98 58.30 2r3w s VAL 11 Cb -0.17 -2.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 2r3w s VAL 11 CO 0.15 -0.17 0.42 -0.89 -0.31 0.00 0.00 175.10 174.30 2r3w s THR 12 N -3.36 5.07 0.27 5.32 2.01 -1.26 -0.69 115.64 123.00 2r3w s THR 12 Ca 0.33 0.85 0.11 0.00 0.31 0.00 0.00 61.69 63.28 2r3w s THR 12 Cb 0.07 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 2r3w s THR 12 CO 0.12 0.52 -0.17 0.27 -0.69 0.00 0.00 174.62 174.67 2r3w s ILE 13 N -0.66 2.26 -0.05 1.82 -4.36 0.66 -1.39 121.20 119.48 2r3w s ILE 13 Ca 0.24 -2.34 0.03 0.00 -0.26 0.00 0.00 60.65 58.32 2r3w s ILE 13 Cb -0.16 -2.28 0.00 0.00 1.25 0.00 0.00 42.46 41.27 2r3w s ILE 13 CO 0.12 -0.42 -0.15 -0.75 0.24 0.00 0.00 174.94 173.98 2r3w s LYS 14 N -3.56 1.65 -0.17 0.37 2.20 0.08 -1.37 119.74 118.95 2r3w s LYS 14 Ca 0.28 -0.52 -0.14 0.00 -0.36 0.00 0.00 55.97 55.24 2r3w s LYS 14 Cb -0.03 -1.42 0.05 0.00 -1.51 0.00 0.00 37.83 34.91 2r3w s LYS 14 CO 0.13 0.17 0.44 -1.50 -0.36 0.00 0.00 175.35 174.23 2r3w s ILE 15 N 0.21 -0.00 -1.43 5.43 2.07 -0.27 -0.73 121.20 126.47 2r3w s ILE 15 Ca -0.07 0.02 -0.02 0.00 -1.41 0.00 0.00 60.65 59.17 2r3w s ILE 15 Cb -0.12 -0.62 0.01 0.00 0.13 0.00 0.00 42.46 41.86 2r3w s ILE 15 CO 0.02 0.01 0.16 0.61 -1.91 0.00 0.00 174.94 173.83 2r3w n GLY 16 N 3.09 -0.50 2.74 1.50 0.00 -1.26 -1.05 105.19 109.71 2r3w n GLY 16 Ca -0.15 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2r3w n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r3w n GLY 17 N -1.05 0.46 3.48 -0.02 0.00 -1.26 -5.00 105.19 101.80 2r3w n GLY 17 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 2r3w n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2r3w s GLN 18 N -0.55 2.17 0.06 1.61 -2.07 -0.22 -5.10 119.66 115.56 2r3w s GLN 18 Ca 0.00 -0.93 -0.23 0.00 -1.82 0.00 0.00 55.36 52.38 2r3w s GLN 18 Cb 0.00 -2.25 -0.06 0.00 -1.09 0.00 0.00 33.01 29.61 2r3w s GLN 18 CO 0.00 0.55 0.70 -0.51 -1.32 0.00 0.00 175.29 174.71 2r3w s LEU 19 N -1.42 4.48 0.05 2.60 1.43 -1.26 -1.12 118.68 123.44 2r3w s LEU 19 Ca 0.15 1.38 -0.03 0.00 -1.03 0.00 0.00 54.13 54.60 2r3w s LEU 19 Cb -0.11 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.97 2r3w s LEU 19 CO 0.06 0.11 0.03 -0.54 0.23 0.00 0.00 176.35 176.24 2r3w s LYS 20 N -0.43 0.60 -0.11 1.70 1.02 -0.47 -4.98 119.74 117.07 2r3w s LYS 20 Ca 0.35 -0.99 -0.14 0.00 0.02 0.00 0.00 55.97 55.20 2r3w s LYS 20 Cb -0.20 0.22 -0.05 0.00 -0.52 0.00 0.00 37.83 37.28 2r3w s LYS 20 CO 0.21 -0.13 0.34 -2.00 -0.92 0.00 0.00 175.35 172.85 2r3w s GLU 21 N -3.28 4.10 0.07 1.68 2.12 -1.26 -0.25 118.70 121.88 2r3w s GLU 21 Ca 0.01 0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.55 2r3w s GLU 21 Cb 0.03 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 2r3w s GLU 21 CO -0.08 0.40 -0.05 0.00 -0.54 0.00 0.00 175.26 174.99 2r3w s ALA 22 N -0.06 0.67 -0.21 6.30 0.00 0.14 -4.54 121.76 124.05 2r3w s ALA 22 Ca 0.20 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.91 2r3w s ALA 22 Cb -0.14 0.18 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 2r3w s ALA 22 CO 0.07 -0.24 0.19 -1.17 0.00 0.00 0.00 175.76 174.61 2r3w s LEU 23 N -2.62 4.18 -0.29 0.00 2.96 0.72 -0.79 118.68 122.83 2r3w s LEU 23 Ca 0.04 0.26 -0.29 0.00 -0.22 0.00 0.00 54.13 53.92 2r3w s LEU 23 Cb 0.02 -2.18 0.01 0.00 0.50 0.00 0.00 46.19 44.54 2r3w s LEU 23 CO -0.05 0.11 1.13 -0.76 -1.32 0.00 0.00 176.35 175.45 2r3w s LEU 24 N 0.69 3.96 -0.32 -0.68 1.43 -0.34 -0.42 118.68 123.01 2r3w s LEU 24 Ca 0.10 1.17 0.02 0.00 -1.03 0.00 0.00 54.13 54.39 2r3w s LEU 24 Cb -0.12 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.65 2r3w s LEU 24 CO 0.02 -0.88 0.07 -0.62 0.23 0.00 0.00 176.35 175.16 2r3w s ASP 25 N 1.84 4.39 0.03 2.29 -1.08 -0.55 -4.76 116.67 118.83 2r3w s ASP 25 Ca 0.48 -1.87 0.25 0.00 -0.52 0.00 0.00 52.55 50.89 2r3w s ASP 25 Cb -0.14 -1.26 1.05 0.00 -1.46 0.00 0.00 42.92 41.11 2r3w s ASP 25 CO 0.16 -0.39 1.81 0.35 0.52 0.00 0.00 175.17 177.61 2r3w n THR 26 N 4.54 0.31 0.13 1.71 -2.24 -1.26 -2.46 114.28 115.01 2r3w n THR 26 Ca 0.00 0.03 0.02 0.00 -2.27 0.00 0.00 64.05 61.83 2r3w n THR 26 Cb 0.42 -0.64 0.01 0.00 -2.10 0.00 0.00 70.33 68.02 2r3w n THR 26 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2r3w h GLY 27 N 4.31 0.00 -5.40 3.38 0.00 -1.94 -3.45 103.07 99.97 2r3w h GLY 27 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 2r3w h GLY 27 CO 0.00 0.00 0.66 0.00 0.00 0.00 0.00 176.54 177.20 2r3w s ALA 28 N -2.94 3.67 0.35 3.60 0.00 -1.03 -4.90 121.76 120.51 2r3w s ALA 28 Ca 0.03 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.08 2r3w s ALA 28 Cb 0.08 -3.44 0.66 0.00 0.00 0.00 0.00 23.12 20.42 2r3w s ALA 28 CO 0.76 -1.01 1.89 -0.44 0.00 0.00 0.00 175.76 176.96 2r3w h ASP 29 N 7.57 0.43 -4.36 0.00 3.32 -1.86 0.37 116.42 121.89 2r3w h ASP 29 Ca -0.21 -0.08 -0.44 0.00 0.02 0.00 0.00 57.03 56.32 2r3w h ASP 29 Cb 1.07 -0.11 -0.24 0.00 0.22 0.00 0.00 39.33 40.27 2r3w h ASP 29 CO 0.94 0.51 -0.79 -1.81 -1.72 0.00 0.00 179.24 176.36 2r3w s ASP 30 N -6.77 1.72 0.04 6.45 1.11 -1.26 -2.21 116.67 115.76 2r3w s ASP 30 Ca -0.07 -0.51 -0.31 0.00 0.18 0.00 0.00 52.55 51.84 2r3w s ASP 30 Cb 0.16 -0.09 -0.06 0.00 1.07 0.00 0.00 42.92 44.00 2r3w s ASP 30 CO 0.76 0.01 1.26 -0.89 1.18 0.00 0.00 175.17 177.48 2r3w s THR 31 N -0.98 3.89 -0.08 -1.27 2.01 -1.26 -4.13 115.64 113.82 2r3w s THR 31 Ca 0.01 1.33 0.01 0.00 0.31 0.00 0.00 61.69 63.35 2r3w s THR 31 Cb -0.09 -3.85 0.02 0.00 0.01 0.00 0.00 72.50 68.59 2r3w s THR 31 CO 0.02 0.07 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.25 2r3w s VAL 32 N 1.45 0.87 0.19 3.82 1.01 -0.72 -1.69 120.40 125.34 2r3w s VAL 32 Ca 0.60 -0.26 0.10 0.00 0.00 0.00 0.00 61.98 62.42 2r3w s VAL 32 Cb -0.30 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 2r3w s VAL 32 CO 0.28 0.32 -0.17 -0.76 0.00 0.00 0.00 175.10 174.77 2r3w s LEU 33 N 1.25 2.71 0.75 3.92 1.43 0.40 -0.78 118.68 128.36 2r3w s LEU 33 Ca -0.04 -0.72 -0.16 0.00 -1.03 0.00 0.00 54.13 52.18 2r3w s LEU 33 Cb -0.14 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 2r3w s LEU 33 CO -0.02 0.11 0.60 -0.62 0.23 0.00 0.00 176.35 176.65 2r3w n GLU 34 N 0.14 0.26 -1.56 1.70 1.02 -1.26 -1.75 120.64 119.20 2r3w n GLU 34 Ca -0.12 0.13 -0.56 0.00 -0.02 0.00 0.00 57.16 56.60 2r3w n GLU 34 Cb 0.56 -1.91 -0.07 0.00 -0.02 0.00 0.00 31.44 30.00 2r3w n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2r3w n GLU 35 N -1.09 0.56 -3.70 3.49 4.07 -1.26 -4.62 120.64 118.09 2r3w n GLU 35 Ca 0.10 0.20 -0.06 0.00 -0.06 0.00 0.00 57.16 57.35 2r3w n GLU 35 Cb 0.50 -1.77 -0.02 0.00 -0.06 0.00 0.00 31.44 30.09 2r3w n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2r3w s MET 36 N 0.43 1.26 -0.00 5.31 0.23 -1.26 -5.05 119.30 120.22 2r3w s MET 36 Ca 0.89 -0.64 -0.18 0.00 -1.03 0.00 0.00 55.69 54.72 2r3w s MET 36 Cb -1.13 0.46 -0.06 0.00 -1.53 0.00 0.00 34.83 32.58 2r3w s MET 36 CO 0.53 -0.57 0.51 0.45 -2.03 0.00 0.00 175.02 173.92 2r3w s SER 37 N -2.84 6.90 0.03 -1.18 0.15 -1.26 -5.08 113.70 110.42 2r3w s SER 37 Ca 0.10 1.07 0.00 0.00 0.70 0.00 0.00 55.95 57.82 2r3w s SER 37 Cb -0.02 -2.32 -0.02 0.00 -1.71 0.00 0.00 66.02 61.95 2r3w s SER 37 CO -0.00 0.19 -0.04 -0.76 1.20 0.00 0.00 173.24 173.83 2r3w s LEU 38 N -0.53 2.29 0.59 3.45 1.43 -1.26 -4.96 118.68 119.71 2r3w s LEU 38 Ca 0.27 -0.61 -0.13 0.00 -1.03 0.00 0.00 54.13 52.64 2r3w s LEU 38 Cb -0.18 0.07 -0.05 0.00 0.03 0.00 0.00 46.19 46.06 2r3w s LEU 38 CO 0.15 -0.34 1.02 -2.16 0.23 0.00 0.00 176.35 175.25 2r3w s PRO 39 N -1.98 3.66 0.10 1.29 0.04 -1.26 -4.96 135.00 131.90 2r3w s PRO 39 Ca -0.10 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2r3w s PRO 39 Cb -0.06 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2r3w s PRO 39 CO -0.02 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 176.91 2r3w n GLY 40 N -2.31 -2.80 3.92 0.56 0.00 -1.26 -4.93 105.19 98.38 2r3w n GLY 40 Ca 0.06 -1.97 -0.28 0.00 0.00 0.00 0.00 46.02 43.83 2r3w n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r3w s ARG 41 N -0.46 3.55 0.35 1.61 0.52 -1.26 -5.11 118.95 118.15 2r3w s ARG 41 Ca 0.00 -0.25 0.09 0.00 -0.52 0.00 0.00 55.73 55.06 2r3w s ARG 41 Cb 0.00 -2.79 -0.07 0.00 0.52 0.00 0.00 34.95 32.61 2r3w s ARG 41 CO 0.00 0.36 -0.09 1.67 0.02 0.00 0.00 175.30 177.26 2r3w s TRP 42 N -1.92 2.41 0.14 -0.53 1.48 -1.26 -4.71 118.94 114.55 2r3w s TRP 42 Ca 0.40 -0.50 0.08 0.00 -1.06 0.00 0.00 56.10 55.01 2r3w s TRP 42 Cb -0.11 -1.40 -0.04 0.00 -1.16 0.00 0.00 33.47 30.76 2r3w s TRP 42 CO 0.29 0.58 -0.18 0.15 -4.06 0.00 0.00 176.95 173.73 2r3w s LYS 43 N -3.62 1.18 0.38 3.25 -0.14 -0.13 -4.90 119.74 115.77 2r3w s LYS 43 Ca 0.33 -1.30 -0.24 0.00 -1.36 0.00 0.00 55.97 53.40 2r3w s LYS 43 Cb 0.03 -1.28 -0.10 0.00 -1.68 0.00 0.00 37.83 34.80 2r3w s LYS 43 CO 0.17 0.27 0.98 -1.25 -0.76 0.00 0.00 175.35 174.75 2r3w s PRO 44 N -2.49 4.32 -0.11 -1.68 0.04 -1.26 0.01 135.00 133.83 2r3w s PRO 44 Ca 0.12 1.31 -0.10 0.00 0.04 0.00 0.00 61.00 62.37 2r3w s PRO 44 Cb -0.07 -2.50 0.03 0.00 0.04 0.00 0.00 34.50 32.00 2r3w s PRO 44 CO 0.05 0.04 0.28 0.21 0.04 0.00 0.00 177.00 177.62 2r3w s LYS 45 N -2.58 0.32 -0.20 4.56 2.47 -1.00 -4.85 119.74 118.46 2r3w s LYS 45 Ca 0.57 0.40 -0.09 0.00 -1.56 0.00 0.00 55.97 55.28 2r3w s LYS 45 Cb -0.16 0.15 -0.05 0.00 -1.46 0.00 0.00 37.83 36.31 2r3w s LYS 45 CO 0.21 -0.04 0.10 -1.64 0.16 0.00 0.00 175.35 174.14 2r3w s MET 46 N 0.20 4.08 0.03 4.03 -1.94 -1.26 -0.28 119.30 124.16 2r3w s MET 46 Ca -0.00 -0.28 0.06 0.00 -1.71 0.00 0.00 55.69 53.75 2r3w s MET 46 Cb -0.02 -3.34 -0.02 0.00 2.01 0.00 0.00 34.83 33.45 2r3w s MET 46 CO -0.00 0.26 -0.17 0.96 -0.01 0.00 0.00 175.02 176.05 2r3w s ILE 47 N 0.45 1.38 -0.27 2.53 -4.36 -0.22 -4.95 121.20 115.76 2r3w s ILE 47 Ca 0.06 -1.04 -0.11 0.00 -0.26 0.00 0.00 60.65 59.29 2r3w s ILE 47 Cb -0.12 -1.21 -0.05 0.00 1.25 0.00 0.00 42.46 42.33 2r3w s ILE 47 CO -0.00 0.14 0.19 -0.83 0.24 0.00 0.00 174.94 174.68 2r3w s GLY 48 N -1.05 1.94 0.07 6.27 0.00 -1.26 -1.50 107.32 111.79 2r3w s GLY 48 Ca 0.05 -1.04 0.01 0.00 0.00 0.00 0.00 44.72 43.74 2r3w s GLY 48 CO 0.01 0.62 0.05 0.61 0.00 0.00 0.00 173.10 174.39 2r3w n GLY 49 N 4.90 3.22 0.28 0.20 0.00 -0.31 -4.96 105.19 108.52 2r3w n GLY 49 Ca -0.14 -2.20 -0.00 0.00 0.00 0.00 0.00 46.02 43.68 2r3w n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2r3w h ILE 50 N 0.62 1.20 -0.01 -0.61 2.10 -2.04 -2.49 117.51 116.27 2r3w h ILE 50 Ca -0.05 -0.76 0.00 0.00 1.08 0.00 0.00 64.86 65.13 2r3w h ILE 50 Cb 0.18 0.91 0.00 0.00 -1.09 0.00 0.00 36.82 36.81 2r3w h ILE 50 CO 0.08 0.27 -0.05 0.61 -1.08 0.00 0.00 178.15 177.97 2r3w n GLY 51 N -0.90 -0.36 0.00 8.18 0.00 -1.26 -5.04 105.19 105.82 2r3w n GLY 51 Ca 0.02 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2r3w n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r3w n GLY 52 N 1.19 0.83 3.77 -0.02 0.00 -0.94 -5.08 105.19 104.93 2r3w n GLY 52 Ca 0.18 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 2r3w n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2r3w s PHE 53 N -1.10 3.71 0.13 1.61 0.40 -1.26 -1.16 117.98 120.32 2r3w s PHE 53 Ca 0.00 1.23 0.05 0.00 -0.60 0.00 0.00 56.93 57.61 2r3w s PHE 53 Cb 0.00 -2.61 -0.04 0.00 0.51 0.00 0.00 43.02 40.88 2r3w s PHE 53 CO 0.00 0.38 -0.11 0.96 0.70 0.00 0.00 175.22 177.15 2r3w s ILE 54 N -0.31 1.17 0.10 0.64 -4.36 -0.56 -4.95 121.20 112.92 2r3w s ILE 54 Ca 0.31 -1.92 -0.27 0.00 -0.26 0.00 0.00 60.65 58.51 2r3w s ILE 54 Cb -0.19 -1.70 -0.06 0.00 1.25 0.00 0.00 42.46 41.77 2r3w s ILE 54 CO 0.18 -0.65 0.86 -1.59 0.24 0.00 0.00 174.94 173.98 2r3w s LYS 55 N -3.36 4.61 0.26 0.37 -2.85 -1.26 -1.06 119.74 116.46 2r3w s LYS 55 Ca 0.13 1.26 0.01 0.00 -1.00 0.00 0.00 55.97 56.38 2r3w s LYS 55 Cb 0.00 -3.35 -0.05 0.00 -2.06 0.00 0.00 37.83 32.37 2r3w s LYS 55 CO 0.01 0.31 0.09 0.14 0.10 0.00 0.00 175.35 176.00 2r3w s VAL 56 N -0.27 0.62 -0.14 1.79 -7.23 0.62 -4.86 120.40 110.93 2r3w s VAL 56 Ca 0.42 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.44 2r3w s VAL 56 Cb -0.22 -2.64 -0.05 0.00 0.56 0.00 0.00 36.38 34.03 2r3w s VAL 56 CO 0.27 -0.01 0.35 -0.13 -0.31 0.00 0.00 175.10 175.26 2r3w s ARG 57 N -4.02 4.23 -0.28 4.82 0.52 -0.33 -2.38 118.95 121.51 2r3w s ARG 57 Ca 0.37 0.21 -0.08 0.00 -0.52 0.00 0.00 55.73 55.71 2r3w s ARG 57 Cb 0.08 -3.41 -0.01 0.00 0.52 0.00 0.00 34.95 32.13 2r3w s ARG 57 CO 0.14 0.26 0.11 -1.14 0.02 0.00 0.00 175.30 174.69 2r3w s GLN 58 N 0.36 3.44 -0.17 3.54 0.74 0.10 -1.12 119.66 126.54 2r3w s GLN 58 Ca 0.20 -0.63 -0.02 0.00 0.05 0.00 0.00 55.36 54.95 2r3w s GLN 58 Cb -0.14 -3.45 -0.01 0.00 1.10 0.00 0.00 33.01 30.51 2r3w s GLN 58 CO 0.06 -0.33 -0.08 0.71 -0.55 0.00 0.00 175.29 175.10 2r3w s TYR 59 N 1.60 2.90 0.14 1.67 1.51 -0.58 -0.96 117.35 123.64 2r3w s TYR 59 Ca 0.05 -0.76 0.04 0.00 -1.01 0.00 0.00 57.07 55.39 2r3w s TYR 59 Cb -0.16 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.68 2r3w s TYR 59 CO 0.05 -0.35 0.18 -0.51 -1.11 0.00 0.00 175.55 173.81 2r3w s ASP 60 N 0.87 5.84 -1.33 2.29 1.01 -1.26 0.29 116.67 124.38 2r3w s ASP 60 Ca -0.02 0.00 -0.04 0.00 0.71 0.00 0.00 52.55 53.20 2r3w s ASP 60 Cb -0.15 -1.63 0.02 0.00 1.01 0.00 0.00 42.92 42.17 2r3w s ASP 60 CO 0.01 0.08 0.95 1.67 0.21 0.00 0.00 175.17 178.08 2r3w n GLN 61 N -0.30 -6.21 -3.54 8.23 7.27 -1.07 -4.89 117.38 116.87 2r3w n GLN 61 Ca -0.08 0.73 -0.38 0.00 0.07 0.00 0.00 57.00 57.35 2r3w n GLN 61 Cb 0.54 -5.60 -0.06 0.00 2.41 0.00 0.00 30.24 27.53 2r3w n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2r3w s ILE 62 N -3.44 5.12 0.01 1.69 -1.09 0.14 -4.72 121.20 118.92 2r3w s ILE 62 Ca 0.25 0.75 -0.30 0.00 -2.23 0.00 0.00 60.65 59.11 2r3w s ILE 62 Cb -0.12 -3.67 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 2r3w s ILE 62 CO 0.77 0.55 1.01 -0.76 -1.23 0.00 0.00 174.94 175.28 2r3w s LEU 63 N -0.84 4.37 -0.15 2.97 2.01 -1.26 -1.63 118.68 124.15 2r3w s LEU 63 Ca 0.22 1.71 -0.11 0.00 0.01 0.00 0.00 54.13 55.96 2r3w s LEU 63 Cb -0.16 -3.57 0.05 0.00 0.01 0.00 0.00 46.19 42.52 2r3w s LEU 63 CO 0.11 -0.28 0.38 -0.51 1.01 0.00 0.00 176.35 177.06 2r3w s ILE 64 N 1.00 -0.01 -0.15 -0.59 2.07 0.64 -4.49 121.20 119.67 2r3w s ILE 64 Ca 0.53 0.05 -0.05 0.00 -1.41 0.00 0.00 60.65 59.76 2r3w s ILE 64 Cb -0.22 -0.55 -0.04 0.00 0.13 0.00 0.00 42.46 41.78 2r3w s ILE 64 CO 0.28 0.02 0.03 -0.70 -1.91 0.00 0.00 174.94 172.66 2r3w s GLU 65 N 0.75 3.64 -0.18 3.50 2.12 0.09 -0.76 118.70 127.85 2r3w s GLU 65 Ca -0.04 -0.38 0.01 0.00 0.36 0.00 0.00 54.97 54.91 2r3w s GLU 65 Cb -0.05 -3.04 0.04 0.00 0.26 0.00 0.00 34.13 31.33 2r3w s GLU 65 CO -0.05 0.40 -0.12 0.42 -0.54 0.00 0.00 175.26 175.37 2r3w s ILE 66 N -0.03 1.65 -1.68 -3.70 1.01 0.73 -0.74 121.20 118.44 2r3w s ILE 66 Ca 0.05 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.64 2r3w s ILE 66 Cb -0.12 -1.66 0.14 0.00 0.01 0.00 0.00 42.46 40.83 2r3w s ILE 66 CO 0.01 0.28 0.72 0.00 0.00 0.00 0.00 174.94 175.95 2r3w n GLY 68 N -1.48 2.85 3.71 0.00 0.00 -1.26 -5.02 105.19 103.99 2r3w n GLY 68 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2r3w n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2r3w s HIS 69 N -2.18 3.53 0.08 1.61 4.02 0.98 -5.04 115.29 118.29 2r3w s HIS 69 Ca 0.00 1.08 -0.29 0.00 1.02 0.00 0.00 55.06 56.87 2r3w s HIS 69 Cb 0.00 -2.70 -0.05 0.00 -1.02 0.00 0.00 32.58 28.80 2r3w s HIS 69 CO 0.00 0.10 0.91 0.15 1.02 0.00 0.00 174.74 176.91 2r3w s LYS 70 N 0.83 4.63 0.04 1.40 1.02 -1.26 -0.19 119.74 126.20 2r3w s LYS 70 Ca 0.32 1.33 0.01 0.00 0.02 0.00 0.00 55.97 57.66 2r3w s LYS 70 Cb -0.16 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 2r3w s LYS 70 CO 0.14 0.20 -0.06 0.00 -0.92 0.00 0.00 175.35 174.72 2r3w s ALA 71 N 0.10 0.48 -0.20 5.17 0.00 0.06 -4.86 121.76 122.51 2r3w s ALA 71 Ca 0.45 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.53 2r3w s ALA 71 Cb -0.22 0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.08 2r3w s ALA 71 CO 0.28 -0.13 0.07 0.42 0.00 0.00 0.00 175.76 176.39 2r3w s ILE 72 N -2.00 0.27 0.00 0.00 1.01 -1.25 -0.26 121.20 118.95 2r3w s ILE 72 Ca -0.07 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.09 2r3w s ILE 72 Cb -0.06 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.51 2r3w s ILE 72 CO -0.02 -0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.21 2r3w n GLY 73 N 5.14 1.83 3.72 6.18 0.00 -0.64 -4.79 105.19 116.62 2r3w n GLY 73 Ca -0.07 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 2r3w n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2r3w s THR 74 N -2.67 4.22 -0.13 2.61 2.01 -1.26 -0.68 115.64 119.75 2r3w s THR 74 Ca 0.00 1.63 0.01 0.00 0.31 0.00 0.00 61.69 63.64 2r3w s THR 74 Cb 0.00 -4.04 0.02 0.00 0.01 0.00 0.00 72.50 68.49 2r3w s THR 74 CO 0.00 0.14 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.26 2r3w s VAL 75 N 0.90 1.41 0.10 3.82 1.01 0.14 -4.62 120.40 123.15 2r3w s VAL 75 Ca 0.56 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 2r3w s VAL 75 Cb -0.27 -1.33 -0.06 0.00 0.00 0.00 0.00 36.38 34.72 2r3w s VAL 75 CO 0.30 0.43 0.37 -0.76 0.00 0.00 0.00 175.10 175.44 2r3w s LEU 76 N 1.36 4.32 -0.08 3.92 1.43 -0.68 -1.52 118.68 127.43 2r3w s LEU 76 Ca 0.01 0.67 0.02 0.00 -1.03 0.00 0.00 54.13 53.80 2r3w s LEU 76 Cb -0.13 -3.08 0.02 0.00 0.03 0.00 0.00 46.19 43.02 2r3w s LEU 76 CO -0.07 0.13 -0.11 -0.69 0.23 0.00 0.00 176.35 175.84 2r3w s VAL 77 N -1.49 1.13 0.00 -1.59 1.01 -0.28 -0.45 120.40 118.72 2r3w s VAL 77 Ca 0.36 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2r3w s VAL 77 Cb -0.13 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.20 2r3w s VAL 77 CO 0.20 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2r3w n GLY 78 N 4.03 -0.63 2.98 4.51 0.00 -0.71 -1.19 105.19 114.18 2r3w n GLY 78 Ca -0.21 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 2r3w n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2r3w n PRO 79 N -0.29 2.23 -3.39 1.61 -0.02 -1.26 -4.06 135.00 129.82 2r3w n PRO 79 Ca 0.00 -2.31 -0.34 0.00 -2.02 0.00 0.00 63.50 58.83 2r3w n PRO 79 Cb 0.00 -3.16 -0.06 0.00 -0.02 0.00 0.00 33.50 30.26 2r3w n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2r3w s THR 80 N 4.42 4.90 0.53 3.45 -1.32 -1.26 -4.97 115.64 121.39 2r3w s THR 80 Ca 0.53 0.66 0.19 0.00 -1.21 0.00 0.00 61.69 61.87 2r3w s THR 80 Cb 0.13 -3.68 0.31 0.00 -1.51 0.00 0.00 72.50 67.75 2r3w s THR 80 CO 0.02 0.11 2.12 1.55 -2.21 0.00 0.00 174.62 176.21 2r3w h PRO 81 N 3.12 0.00 -2.34 7.08 0.13 -1.97 -3.44 132.00 134.58 2r3w h PRO 81 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 2r3w h PRO 81 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.14 2r3w h PRO 81 CO 0.67 0.00 0.19 0.54 -0.23 0.00 0.00 178.00 179.17 2r3w s VAL 82 N -5.02 0.00 -0.01 1.56 0.11 -1.26 -5.12 120.40 110.67 2r3w s VAL 82 Ca -0.05 -0.01 -0.34 0.00 -2.93 0.00 0.00 61.98 58.65 2r3w s VAL 82 Cb 0.17 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.90 2r3w s VAL 82 CO 0.67 -0.01 1.78 0.59 -3.33 0.00 0.00 175.10 174.81 2r3w n ASN 83 N 0.50 3.34 -4.18 3.54 3.02 -1.26 -4.82 115.26 115.40 2r3w n ASN 83 Ca -0.18 1.01 -0.28 0.00 -0.03 0.00 0.00 54.58 55.09 2r3w n ASN 83 Cb 0.60 -1.39 -0.16 0.00 -0.61 0.00 0.00 39.78 38.21 2r3w n ASN 83 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2r3w s VAL 84 N 3.05 1.66 -0.36 2.41 -7.23 0.04 -0.20 120.40 119.77 2r3w s VAL 84 Ca 0.88 -0.84 -0.18 0.00 -1.81 0.00 0.00 61.98 60.04 2r3w s VAL 84 Cb -0.69 -1.42 0.00 0.00 0.56 0.00 0.00 36.38 34.83 2r3w s VAL 84 CO 0.47 0.47 0.49 -0.63 -0.31 0.00 0.00 175.10 175.60 2r3w s ILE 85 N 0.04 5.03 0.40 -0.62 -1.09 0.44 -1.75 121.20 123.65 2r3w s ILE 85 Ca -0.06 0.20 0.03 0.00 -2.23 0.00 0.00 60.65 58.59 2r3w s ILE 85 Cb -0.13 -3.97 0.07 0.00 -1.58 0.00 0.00 42.46 36.85 2r3w s ILE 85 CO 0.03 -0.26 0.55 0.61 -1.23 0.00 0.00 174.94 174.64 2r3w n GLY 86 N 4.88 1.32 0.27 6.18 0.00 -1.26 -1.48 105.19 115.10 2r3w n GLY 86 Ca -0.05 -2.10 0.06 0.00 0.00 0.00 0.00 46.02 43.93 2r3w n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2r3w h ARG 87 N 0.00 0.19 -0.40 1.61 3.08 -0.03 -1.54 114.38 117.30 2r3w h ARG 87 Ca -0.18 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 59.91 2r3w h ARG 87 Cb 0.75 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 2r3w h ARG 87 CO 0.23 0.16 0.27 -2.95 -1.07 0.00 0.00 179.97 176.60 2r3w h ASN 88 N 0.20 0.26 0.00 7.04 -1.07 -1.71 -1.74 115.58 118.55 2r3w h ASN 88 Ca 0.05 -0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.41 2r3w h ASN 88 Cb 0.03 -0.06 -0.00 0.00 -2.07 0.00 0.00 38.32 36.23 2r3w h ASN 88 CO -0.01 0.17 -1.78 0.18 0.07 0.00 0.00 177.43 176.07 2r3w n LEU 89 N -4.48 0.00 0.19 6.14 4.77 -0.88 -4.10 117.00 118.65 2r3w n LEU 89 Ca 0.05 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.07 2r3w n LEU 89 Cb 0.25 0.01 0.36 0.00 -2.33 0.00 0.00 43.42 41.72 2r3w n LEU 89 CO 0.35 0.01 0.71 -0.07 -1.33 0.00 0.00 177.39 177.05 2r3w h LEU 90 N 0.00 0.00 -0.75 2.23 3.38 -0.90 -2.31 115.31 116.97 2r3w h LEU 90 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2r3w h LEU 90 Cb 0.80 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2r3w h LEU 90 CO 0.00 0.38 0.03 0.71 0.09 0.00 0.00 178.44 179.66 2r3w h THR 91 N 0.00 1.26 0.00 0.22 1.35 -1.52 -0.31 112.91 113.91 2r3w h THR 91 Ca -0.00 -1.07 -0.05 0.00 -0.55 0.00 0.00 66.41 64.73 2r3w h THR 91 Cb 0.74 0.77 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 2r3w h THR 91 CO 0.05 0.39 -0.24 1.56 -0.25 0.00 0.00 175.52 177.03 2r3w h GLN 92 N 0.91 0.00 -0.10 4.72 4.20 -1.57 -2.27 115.11 121.00 2r3w h GLN 92 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2r3w h GLN 92 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2r3w h GLN 92 CO 0.02 0.24 0.00 0.44 -0.67 0.00 0.00 178.83 178.86 2r3w n ILE 93 N -4.17 0.11 -1.92 2.54 -5.35 -1.04 -4.93 119.36 104.61 2r3w n ILE 93 Ca -0.02 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 2r3w n ILE 93 Cb 0.30 0.83 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 2r3w n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2r3w n GLY 94 N 1.26 0.56 3.77 3.28 0.00 -0.85 -5.03 105.19 108.18 2r3w n GLY 94 Ca 0.17 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 2r3w n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r3w s THR 96 N -0.85 0.54 -0.10 0.00 -4.23 -1.26 -4.65 115.64 105.10 2r3w s THR 96 Ca 0.37 -1.91 -0.09 0.00 -1.18 0.00 0.00 61.69 58.88 2r3w s THR 96 Cb -0.23 -1.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.84 2r3w s THR 96 CO 0.26 -0.82 0.21 -0.76 -0.54 0.00 0.00 174.62 172.96 2r3w s LEU 97 N -3.03 4.39 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.89 2r3w s LEU 97 Ca 0.13 0.57 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 2r3w s LEU 97 Cb 0.06 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 44.09 2r3w s LEU 97 CO -0.04 0.36 0.00 0.20 0.23 0.00 0.00 176.35 177.10 2r3w s ASN 98 N -0.87 0.17 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.11 2r3w s ASN 98 Ca 0.17 -0.00 0.00 0.00 -1.57 0.00 0.00 52.86 51.45 2r3w s ASN 98 Cb -0.13 -0.07 0.00 0.00 -0.02 0.00 0.00 41.25 41.03 2r3w s ASN 98 CO 0.06 -0.05 0.00 2.22 -2.57 0.00 0.00 177.10 176.76