#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 3.58 -0.19 0.54 0.74 -1.26 -5.08 119.66 117.99 2r3w s GLN 2 Ca 0.00 -0.55 -0.05 0.00 0.05 0.00 0.00 55.36 54.81 2r3w s GLN 2 Cb 0.00 -3.54 -0.03 0.00 1.10 0.00 0.00 33.01 30.55 2r3w s GLN 2 CO 0.00 -0.30 -0.01 0.42 -0.55 0.00 0.00 175.29 174.85 2r3w s ILE 3 N 1.66 3.94 0.67 -2.34 1.01 -1.26 -5.08 121.20 119.79 2r3w s ILE 3 Ca 0.06 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.24 2r3w s ILE 3 Cb -0.16 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.54 2r3w s ILE 3 CO 0.07 0.45 1.11 0.28 0.00 0.00 0.00 174.94 176.85 2r3w s THR 4 N 0.83 3.23 -0.42 2.92 -1.32 -1.26 -4.99 115.64 114.62 2r3w s THR 4 Ca 0.00 0.56 0.10 0.00 -1.21 0.00 0.00 61.69 61.15 2r3w s THR 4 Cb -0.14 -3.08 0.28 0.00 -1.51 0.00 0.00 72.50 68.04 2r3w s THR 4 CO 0.02 -0.37 1.21 0.18 -2.21 0.00 0.00 174.62 173.45 2r3w n LEU 5 N -2.50 2.83 -0.18 9.08 4.77 -1.26 -4.47 117.00 125.27 2r3w n LEU 5 Ca 0.10 -2.36 0.15 0.00 -0.03 0.00 0.00 56.01 53.87 2r3w n LEU 5 Cb 0.52 -0.27 0.49 0.00 -2.33 0.00 0.00 43.42 41.84 2r3w n LEU 5 CO 0.48 0.66 1.21 -0.50 -1.33 0.00 0.00 177.39 177.91 2r3w h TRP 6 N 1.20 0.52 -2.88 -1.77 4.06 -2.06 -3.43 115.95 111.59 2r3w h TRP 6 Ca 0.00 0.01 -0.45 0.00 2.06 0.00 0.00 58.89 60.51 2r3w h TRP 6 Cb 0.86 -0.16 -0.14 0.00 -1.00 0.00 0.00 29.16 28.72 2r3w h TRP 6 CO 0.20 0.19 -0.65 -0.65 -3.56 0.00 0.00 178.44 173.97 2r3w s GLN 7 N -5.43 1.51 0.24 0.49 1.11 -1.26 -5.10 119.66 111.22 2r3w s GLN 7 Ca -0.08 -1.78 -0.31 0.00 0.01 0.00 0.00 55.36 53.19 2r3w s GLN 7 Cb 0.21 -0.93 -0.13 0.00 -1.01 0.00 0.00 33.01 31.15 2r3w s GLN 7 CO 0.77 -0.05 1.48 0.54 0.01 0.00 0.00 175.29 178.04 2r3w n ARG 8 N -0.56 2.22 -2.68 2.91 1.74 -1.26 -4.85 116.66 114.17 2r3w n ARG 8 Ca -0.05 0.79 -0.42 0.00 -0.77 0.00 0.00 57.85 57.40 2r3w n ARG 8 Cb 0.64 -2.50 -0.02 0.00 -1.02 0.00 0.00 32.46 29.57 2r3w n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2r3w s PRO 9 N -0.20 3.79 -0.03 5.56 0.04 -1.26 -4.97 135.00 137.93 2r3w s PRO 9 Ca 0.69 -1.70 -0.16 0.00 0.04 0.00 0.00 61.00 59.86 2r3w s PRO 9 Cb -0.62 -5.31 -0.05 0.00 0.04 0.00 0.00 34.50 28.57 2r3w s PRO 9 CO 0.47 -2.09 0.45 -0.51 0.04 0.00 0.00 177.00 175.35 2r3w s LEU 10 N 3.91 4.42 0.12 -3.56 1.43 -1.26 -1.21 118.68 122.52 2r3w s LEU 10 Ca 0.46 0.95 0.02 0.00 -1.03 0.00 0.00 54.13 54.52 2r3w s LEU 10 Cb 0.00 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 2r3w s LEU 10 CO -0.03 0.22 -0.04 0.68 0.23 0.00 0.00 176.35 177.40 2r3w s VAL 11 N -0.54 0.66 -0.05 -1.59 -7.23 0.30 -4.97 120.40 106.98 2r3w s VAL 11 Ca 0.25 -1.94 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 2r3w s VAL 11 Cb -0.17 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.93 2r3w s VAL 11 CO 0.13 -0.76 0.28 -0.89 -0.31 0.00 0.00 175.10 173.54 2r3w s THR 12 N -3.65 5.26 0.17 5.32 2.01 -1.26 -0.87 115.64 122.62 2r3w s THR 12 Ca 0.15 0.51 0.06 0.00 0.31 0.00 0.00 61.69 62.72 2r3w s THR 12 Cb 0.06 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 2r3w s THR 12 CO -0.02 0.58 -0.11 0.27 -0.69 0.00 0.00 174.62 174.64 2r3w s ILE 13 N -1.08 1.37 -0.10 1.82 -4.36 0.13 -3.95 121.20 115.03 2r3w s ILE 13 Ca 0.20 -2.11 0.03 0.00 -0.26 0.00 0.00 60.65 58.51 2r3w s ILE 13 Cb -0.14 -1.94 0.01 0.00 1.25 0.00 0.00 42.46 41.63 2r3w s ILE 13 CO 0.09 -0.67 -0.20 -0.54 0.24 0.00 0.00 174.94 173.85 2r3w s LYS 14 N -3.72 2.70 -0.22 0.37 3.01 -0.15 -0.63 119.74 121.10 2r3w s LYS 14 Ca 0.19 -0.75 -0.12 0.00 -1.01 0.00 0.00 55.97 54.28 2r3w s LYS 14 Cb 0.02 -2.10 0.07 0.00 -1.01 0.00 0.00 37.83 34.80 2r3w s LYS 14 CO 0.03 0.10 0.53 -1.50 0.51 0.00 0.00 175.35 175.02 2r3w s ILE 15 N 0.54 -0.05 -1.44 2.17 2.07 0.18 -1.62 121.20 123.05 2r3w s ILE 15 Ca -0.15 0.06 -0.11 0.00 -1.41 0.00 0.00 60.65 59.03 2r3w s ILE 15 Cb -0.17 -0.78 0.04 0.00 0.13 0.00 0.00 42.46 41.68 2r3w s ILE 15 CO 0.05 0.02 1.10 0.61 -1.91 0.00 0.00 174.94 174.81 2r3w n GLY 16 N 4.34 -0.53 3.05 1.50 0.00 -1.26 -0.03 105.19 112.26 2r3w n GLY 16 Ca -0.21 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.88 0.39 3.69 -0.02 0.00 -1.26 -4.98 105.19 101.14 2r3w n GLY 17 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2r3w n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2r3w s GLN 18 N -0.72 2.89 -0.19 1.61 -0.21 0.95 -5.10 119.66 118.89 2r3w s GLN 18 Ca 0.00 -0.53 -0.17 0.00 0.02 0.00 0.00 55.36 54.68 2r3w s GLN 18 Cb 0.00 -2.73 -0.04 0.00 1.00 0.00 0.00 33.01 31.24 2r3w s GLN 18 CO 0.00 0.65 0.46 -0.51 -2.12 0.00 0.00 175.29 173.77 2r3w s LEU 19 N -1.35 4.16 0.10 2.90 1.43 -1.26 -0.65 118.68 124.02 2r3w s LEU 19 Ca 0.18 0.61 0.03 0.00 -1.03 0.00 0.00 54.13 53.92 2r3w s LEU 19 Cb -0.11 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 2r3w s LEU 19 CO 0.08 -0.11 -0.09 -0.54 0.23 0.00 0.00 176.35 175.92 2r3w s LYS 20 N 1.38 0.84 -0.05 1.70 1.02 0.20 -4.96 119.74 119.88 2r3w s LYS 20 Ca 0.22 -1.21 -0.09 0.00 0.02 0.00 0.00 55.97 54.91 2r3w s LYS 20 Cb -0.15 -0.44 -0.05 0.00 -0.52 0.00 0.00 37.83 36.67 2r3w s LYS 20 CO 0.09 0.05 0.26 -2.00 -0.92 0.00 0.00 175.35 172.83 2r3w s GLU 21 N -3.08 3.63 0.06 1.68 2.12 -1.26 0.20 118.70 122.04 2r3w s GLU 21 Ca 0.07 0.05 -0.16 0.00 0.36 0.00 0.00 54.97 55.29 2r3w s GLU 21 Cb -0.01 -3.16 0.03 0.00 0.26 0.00 0.00 34.13 31.25 2r3w s GLU 21 CO -0.01 0.71 0.37 0.00 -0.54 0.00 0.00 175.26 175.79 2r3w s ALA 22 N -1.13 -0.87 -0.19 6.30 0.00 -0.05 -4.66 121.76 121.16 2r3w s ALA 22 Ca 0.21 0.13 -0.13 0.00 0.00 0.00 0.00 51.96 52.17 2r3w s ALA 22 Cb -0.14 0.40 -0.05 0.00 0.00 0.00 0.00 23.12 23.34 2r3w s ALA 22 CO 0.10 -0.48 0.26 -1.17 0.00 0.00 0.00 175.76 174.47 2r3w s LEU 23 N -2.19 4.20 -0.40 0.00 2.96 -0.10 -0.54 118.68 122.60 2r3w s LEU 23 Ca -0.03 0.38 -0.29 0.00 -0.22 0.00 0.00 54.13 53.97 2r3w s LEU 23 Cb -0.00 -2.30 0.02 0.00 0.50 0.00 0.00 46.19 44.41 2r3w s LEU 23 CO -0.05 0.08 1.23 -0.76 -1.32 0.00 0.00 176.35 175.53 2r3w s LEU 24 N 0.71 3.72 -0.35 -0.68 1.43 -0.35 -0.73 118.68 122.43 2r3w s LEU 24 Ca 0.14 0.79 0.03 0.00 -1.03 0.00 0.00 54.13 54.06 2r3w s LEU 24 Cb -0.13 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.65 2r3w s LEU 24 CO 0.04 -1.20 0.08 -0.62 0.23 0.00 0.00 176.35 174.87 2r3w s ASP 25 N 2.75 4.56 0.38 2.29 -1.08 0.10 -4.81 116.67 120.87 2r3w s ASP 25 Ca 0.52 -2.10 0.28 0.00 -0.52 0.00 0.00 52.55 50.73 2r3w s ASP 25 Cb -0.11 -1.45 1.24 0.00 -1.46 0.00 0.00 42.92 41.14 2r3w s ASP 25 CO 0.28 -0.38 1.83 0.71 0.52 0.00 0.00 175.17 178.13 2r3w h THR 26 N 6.49 0.00 0.00 1.71 1.35 -1.93 -2.55 112.91 117.98 2r3w h THR 26 Ca -0.06 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2r3w h THR 26 Cb 1.01 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 2r3w h THR 26 CO 0.52 0.00 -0.47 1.23 -0.25 0.00 0.00 175.52 176.55 2r3w h GLY 27 N 1.64 0.00 -5.85 5.82 0.00 -1.94 -3.45 103.07 99.29 2r3w h GLY 27 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 2r3w h GLY 27 CO 0.00 0.00 0.47 0.00 0.00 0.00 0.00 176.54 177.01 2r3w s ALA 28 N -3.19 3.63 0.33 3.60 0.00 -0.96 -4.94 121.76 120.23 2r3w s ALA 28 Ca 0.06 -0.17 0.09 0.00 0.00 0.00 0.00 51.96 51.93 2r3w s ALA 28 Cb 0.11 -3.30 0.56 0.00 0.00 0.00 0.00 23.12 20.50 2r3w s ALA 28 CO 0.70 -0.98 1.76 -0.44 0.00 0.00 0.00 175.76 176.80 2r3w h ASP 29 N 7.75 0.17 -3.41 0.00 3.32 -1.86 -1.20 116.42 121.20 2r3w h ASP 29 Ca -0.23 -0.06 -0.57 0.00 0.02 0.00 0.00 57.03 56.18 2r3w h ASP 29 Cb 1.09 -0.05 -0.18 0.00 0.22 0.00 0.00 39.33 40.41 2r3w h ASP 29 CO 0.88 0.53 -0.80 -1.81 -1.72 0.00 0.00 179.24 176.33 2r3w s ASP 30 N -6.89 2.97 0.02 6.45 1.01 -1.26 -2.97 116.67 116.00 2r3w s ASP 30 Ca -0.04 -0.86 -0.30 0.00 0.71 0.00 0.00 52.55 52.06 2r3w s ASP 30 Cb 0.14 -0.20 -0.04 0.00 1.01 0.00 0.00 42.92 43.84 2r3w s ASP 30 CO 0.75 0.03 1.03 -0.89 0.21 0.00 0.00 175.17 176.30 2r3w s THR 31 N -1.89 4.66 -0.06 -1.27 2.01 -1.26 -3.67 115.64 114.16 2r3w s THR 31 Ca 0.18 1.92 0.00 0.00 0.31 0.00 0.00 61.69 64.10 2r3w s THR 31 Cb -0.07 -4.23 0.02 0.00 0.01 0.00 0.00 72.50 68.23 2r3w s THR 31 CO 0.08 0.16 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.43 2r3w s VAL 32 N 0.97 0.62 0.13 3.82 1.01 -0.49 -1.11 120.40 125.36 2r3w s VAL 32 Ca 0.53 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.46 2r3w s VAL 32 Cb -0.23 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 2r3w s VAL 32 CO 0.28 0.26 -0.17 -0.76 0.00 0.00 0.00 175.10 174.72 2r3w s LEU 33 N 1.22 2.39 1.09 3.92 1.43 -0.10 -0.52 118.68 128.12 2r3w s LEU 33 Ca -0.06 -0.80 -0.13 0.00 -1.03 0.00 0.00 54.13 52.11 2r3w s LEU 33 Cb -0.14 -0.73 0.21 0.00 0.03 0.00 0.00 46.19 45.57 2r3w s LEU 33 CO -0.02 -0.06 0.89 -1.84 0.23 0.00 0.00 176.35 175.55 2r3w n GLU 34 N 0.56 -1.70 -1.64 1.70 0.28 -1.25 -1.89 120.64 116.70 2r3w n GLU 34 Ca -0.15 -0.46 -0.48 0.00 -0.16 0.00 0.00 57.16 55.91 2r3w n GLU 34 Cb 0.56 -2.15 -0.04 0.00 1.43 0.00 0.00 31.44 31.24 2r3w n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2r3w n GLU 35 N -4.21 1.73 -3.51 3.44 -0.58 -1.20 -4.48 120.64 111.83 2r3w n GLU 35 Ca 0.05 0.62 -0.10 0.00 -0.42 0.00 0.00 57.16 57.32 2r3w n GLU 35 Cb 0.54 -2.31 -0.02 0.00 -0.57 0.00 0.00 31.44 29.09 2r3w n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2r3w s MET 36 N 0.42 1.21 0.06 3.49 0.23 -1.26 -5.03 119.30 118.43 2r3w s MET 36 Ca 0.78 -0.49 -0.19 0.00 -1.03 0.00 0.00 55.69 54.76 2r3w s MET 36 Cb -0.77 0.52 -0.07 0.00 -1.53 0.00 0.00 34.83 32.99 2r3w s MET 36 CO 0.44 -0.53 0.55 0.45 -2.03 0.00 0.00 175.02 173.90 2r3w s SER 37 N -2.71 7.03 0.06 -1.18 0.15 -1.26 -5.01 113.70 110.78 2r3w s SER 37 Ca 0.04 1.22 0.02 0.00 0.70 0.00 0.00 55.95 57.94 2r3w s SER 37 Cb -0.02 -2.35 -0.03 0.00 -1.71 0.00 0.00 66.02 61.92 2r3w s SER 37 CO -0.09 0.27 -0.08 -0.76 1.20 0.00 0.00 173.24 173.78 2r3w s LEU 38 N -1.06 2.30 0.51 3.45 1.43 -1.26 -4.92 118.68 119.14 2r3w s LEU 38 Ca 0.28 -0.64 -0.16 0.00 -1.03 0.00 0.00 54.13 52.58 2r3w s LEU 38 Cb -0.19 -0.19 -0.08 0.00 0.03 0.00 0.00 46.19 45.76 2r3w s LEU 38 CO 0.18 -0.23 0.98 -2.16 0.23 0.00 0.00 176.35 175.35 2r3w s PRO 39 N -2.00 3.94 0.00 1.29 0.04 -1.26 -4.96 135.00 132.05 2r3w s PRO 39 Ca -0.05 0.94 0.00 0.00 0.04 0.00 0.00 61.00 61.93 2r3w s PRO 39 Cb -0.07 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2r3w s PRO 39 CO -0.00 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.18 2r3w n GLY 40 N -1.58 -2.55 3.87 0.56 0.00 -1.26 -4.96 105.19 99.27 2r3w n GLY 40 Ca 0.06 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.69 2r3w n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2r3w s ARG 41 N -0.35 3.55 0.14 1.61 1.04 -1.26 -5.09 118.95 118.60 2r3w s ARG 41 Ca 0.00 0.73 -0.11 0.00 -1.04 0.00 0.00 55.73 55.32 2r3w s ARG 41 Cb 0.00 -2.08 0.00 0.00 -2.04 0.00 0.00 34.95 30.83 2r3w s ARG 41 CO 0.00 -0.60 0.29 1.67 -0.04 0.00 0.00 175.30 176.63 2r3w s TRP 42 N -3.19 0.21 0.08 5.89 1.48 -1.26 -4.39 118.94 117.75 2r3w s TRP 42 Ca 0.55 -0.58 0.02 0.00 -1.06 0.00 0.00 56.10 55.03 2r3w s TRP 42 Cb -0.11 0.02 -0.03 0.00 -1.16 0.00 0.00 33.47 32.19 2r3w s TRP 42 CO 0.54 -0.69 -0.08 -1.59 -4.06 0.00 0.00 176.95 171.07 2r3w s LYS 43 N -3.91 0.74 0.46 3.25 -2.85 -0.91 -4.92 119.74 111.61 2r3w s LYS 43 Ca 0.11 -1.11 -0.20 0.00 -1.00 0.00 0.00 55.97 53.77 2r3w s LYS 43 Cb 0.03 -0.32 -0.10 0.00 -2.06 0.00 0.00 37.83 35.39 2r3w s LYS 43 CO -0.05 0.03 0.99 -1.25 0.10 0.00 0.00 175.35 175.17 2r3w s PRO 44 N -2.87 4.02 0.04 1.78 0.04 -1.26 -0.13 135.00 136.62 2r3w s PRO 44 Ca 0.03 1.21 -0.12 0.00 0.04 0.00 0.00 61.00 62.16 2r3w s PRO 44 Cb -0.02 -2.14 0.01 0.00 0.04 0.00 0.00 34.50 32.40 2r3w s PRO 44 CO -0.02 -0.22 0.26 0.21 0.04 0.00 0.00 177.00 177.27 2r3w s LYS 45 N -3.28 0.76 -0.09 4.56 2.20 -0.24 -4.86 119.74 118.79 2r3w s LYS 45 Ca 0.64 -0.56 0.03 0.00 -0.36 0.00 0.00 55.97 55.72 2r3w s LYS 45 Cb -0.12 0.32 -0.01 0.00 -1.51 0.00 0.00 37.83 36.51 2r3w s LYS 45 CO 0.17 -0.23 -0.20 -1.64 -0.36 0.00 0.00 175.35 173.09 2r3w s MET 46 N -2.56 2.99 0.06 4.03 -1.94 -1.26 -0.87 119.30 119.74 2r3w s MET 46 Ca -0.05 -0.81 0.06 0.00 -1.71 0.00 0.00 55.69 53.19 2r3w s MET 46 Cb -0.01 -2.38 -0.03 0.00 2.01 0.00 0.00 34.83 34.42 2r3w s MET 46 CO -0.04 0.28 -0.17 0.96 -0.01 0.00 0.00 175.02 176.04 2r3w s ILE 47 N 0.12 1.37 0.12 2.53 -4.36 -0.20 -4.96 121.20 115.83 2r3w s ILE 47 Ca -0.10 -1.20 -0.03 0.00 -0.26 0.00 0.00 60.65 59.06 2r3w s ILE 47 Cb -0.16 -1.23 -0.03 0.00 1.25 0.00 0.00 42.46 42.29 2r3w s ILE 47 CO 0.06 0.01 0.09 -0.83 0.24 0.00 0.00 174.94 174.52 2r3w s GLY 48 N -1.38 0.78 0.00 6.27 0.00 -1.26 0.20 107.32 111.93 2r3w s GLY 48 Ca 0.03 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.47 2r3w s GLY 48 CO 0.02 -1.23 0.00 0.61 0.00 0.00 0.00 173.10 172.50 2r3w n GLY 49 N -0.09 2.04 3.72 0.20 0.00 -0.41 -4.96 105.19 105.69 2r3w n GLY 49 Ca -0.07 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 2r3w n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2r3w n ILE 50 N 0.00 0.73 0.00 -0.61 5.41 -1.26 -0.86 119.36 122.77 2r3w n ILE 50 Ca 0.00 -0.18 0.00 0.00 1.00 0.00 0.00 62.75 63.57 2r3w n ILE 50 Cb 0.00 -1.84 0.00 0.00 -0.71 0.00 0.00 39.64 37.09 2r3w n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2r3w n GLY 51 N 2.61 3.37 0.00 7.39 0.00 -1.26 -4.94 105.19 112.36 2r3w n GLY 51 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.83 0.51 3.77 -0.02 0.00 -0.04 -5.07 105.19 102.49 2r3w n GLY 52 Ca 0.00 -2.28 -0.30 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.08 3.15 0.14 1.61 0.40 -1.26 -1.29 117.98 120.65 2r3w s PHE 53 Ca 0.00 0.05 0.07 0.00 -0.60 0.00 0.00 56.93 56.45 2r3w s PHE 53 Cb 0.00 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 2r3w s PHE 53 CO 0.00 0.52 -0.17 0.96 0.70 0.00 0.00 175.22 177.23 2r3w s ILE 54 N -1.43 1.58 -0.02 0.64 -4.36 0.13 -4.96 121.20 112.79 2r3w s ILE 54 Ca 0.29 -1.76 -0.20 0.00 -0.26 0.00 0.00 60.65 58.72 2r3w s ILE 54 Cb -0.12 -1.65 -0.05 0.00 1.25 0.00 0.00 42.46 41.89 2r3w s ILE 54 CO 0.22 -0.32 0.58 -0.75 0.24 0.00 0.00 174.94 174.91 2r3w s LYS 55 N -2.58 4.31 0.17 0.37 2.20 -1.26 -1.03 119.74 121.91 2r3w s LYS 55 Ca 0.11 0.70 0.02 0.00 -0.36 0.00 0.00 55.97 56.44 2r3w s LYS 55 Cb -0.06 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.86 2r3w s LYS 55 CO 0.05 0.35 -0.01 0.14 -0.36 0.00 0.00 175.35 175.52 2r3w s VAL 56 N -0.13 0.74 -0.23 4.02 -7.23 -0.05 -4.38 120.40 113.15 2r3w s VAL 56 Ca 0.30 -1.99 -0.10 0.00 -1.81 0.00 0.00 61.98 58.38 2r3w s VAL 56 Cb -0.18 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 2r3w s VAL 56 CO 0.16 -0.49 0.15 -0.13 -0.31 0.00 0.00 175.10 174.49 2r3w s ARG 57 N -3.90 4.10 -0.34 4.82 0.52 0.23 -1.08 118.95 123.30 2r3w s ARG 57 Ca 0.23 -0.26 -0.16 0.00 -0.52 0.00 0.00 55.73 55.03 2r3w s ARG 57 Cb 0.06 -3.51 -0.01 0.00 0.52 0.00 0.00 34.95 32.00 2r3w s ARG 57 CO 0.04 0.11 0.42 -1.14 0.02 0.00 0.00 175.30 174.75 2r3w s GLN 58 N 0.91 3.64 -0.16 3.54 0.74 0.82 -0.90 119.66 128.25 2r3w s GLN 58 Ca 0.08 -0.26 -0.05 0.00 0.05 0.00 0.00 55.36 55.18 2r3w s GLN 58 Cb -0.13 -3.79 -0.03 0.00 1.10 0.00 0.00 33.01 30.16 2r3w s GLN 58 CO 0.03 -0.54 -0.02 0.71 -0.55 0.00 0.00 175.29 174.93 2r3w s TYR 59 N 2.17 3.07 0.31 1.67 1.51 -0.33 -2.13 117.35 123.62 2r3w s TYR 59 Ca 0.15 -0.23 0.07 0.00 -1.01 0.00 0.00 57.07 56.05 2r3w s TYR 59 Cb -0.16 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.68 2r3w s TYR 59 CO 0.12 -0.01 0.31 -0.51 -1.11 0.00 0.00 175.55 174.36 2r3w s ASP 60 N 0.40 5.54 -1.27 2.29 1.01 -1.26 -0.82 116.67 122.55 2r3w s ASP 60 Ca -0.02 -0.35 -0.10 0.00 0.71 0.00 0.00 52.55 52.79 2r3w s ASP 60 Cb -0.14 -1.17 -0.00 0.00 1.01 0.00 0.00 42.92 42.62 2r3w s ASP 60 CO 0.02 -0.28 0.62 0.00 0.21 0.00 0.00 175.17 175.74 2r3w n GLN 61 N -1.39 -2.57 -3.80 8.23 6.02 -1.07 -4.90 117.38 117.90 2r3w n GLN 61 Ca -0.03 0.45 -0.37 0.00 -0.01 0.00 0.00 57.00 57.04 2r3w n GLN 61 Cb 0.59 -4.41 -0.07 0.00 1.02 0.00 0.00 30.24 27.37 2r3w n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2r3w s ILE 62 N -3.70 5.44 0.02 5.09 -1.09 0.19 -4.79 121.20 122.37 2r3w s ILE 62 Ca 0.22 0.26 -0.25 0.00 -2.23 0.00 0.00 60.65 58.65 2r3w s ILE 62 Cb -0.08 -3.45 -0.05 0.00 -1.58 0.00 0.00 42.46 37.31 2r3w s ILE 62 CO 0.87 0.57 0.77 -1.48 -1.23 0.00 0.00 174.94 174.43 2r3w s LEU 63 N -0.65 4.42 0.02 2.97 2.34 -1.26 -0.85 118.68 125.67 2r3w s LEU 63 Ca 0.14 1.42 0.02 0.00 0.06 0.00 0.00 54.13 55.77 2r3w s LEU 63 Cb -0.12 -3.23 -0.01 0.00 -0.56 0.00 0.00 46.19 42.27 2r3w s LEU 63 CO 0.03 -0.03 -0.07 -0.63 -1.06 0.00 0.00 176.35 174.59 2r3w s ILE 64 N 0.19 0.55 -0.16 1.48 1.01 0.48 -4.58 121.20 120.17 2r3w s ILE 64 Ca 0.39 -0.61 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 2r3w s ILE 64 Cb -0.20 -0.52 -0.02 0.00 0.01 0.00 0.00 42.46 41.73 2r3w s ILE 64 CO 0.22 -0.06 -0.06 -1.61 0.00 0.00 0.00 174.94 173.43 2r3w s GLU 65 N -0.74 3.55 -0.19 2.79 2.02 -0.64 0.32 118.70 125.82 2r3w s GLU 65 Ca -0.02 -0.58 -0.02 0.00 0.02 0.00 0.00 54.97 54.37 2r3w s GLU 65 Cb -0.05 -2.86 0.05 0.00 0.10 0.00 0.00 34.13 31.37 2r3w s GLU 65 CO 0.00 0.16 -0.00 0.42 0.02 0.00 0.00 175.26 175.86 2r3w s ILE 66 N 0.56 0.82 -1.36 -1.63 1.01 -0.25 -0.98 121.20 119.36 2r3w s ILE 66 Ca -0.04 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 2r3w s ILE 66 Cb -0.15 -1.18 -0.00 0.00 0.01 0.00 0.00 42.46 41.14 2r3w s ILE 66 CO 0.03 -0.08 0.50 0.00 0.00 0.00 0.00 174.94 175.38 2r3w n GLY 68 N -1.89 0.65 3.70 0.00 0.00 -1.26 -4.97 105.19 101.41 2r3w n GLY 68 Ca -0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.92 3.36 -0.18 1.61 4.02 0.12 -5.06 115.29 116.24 2r3w s HIS 69 Ca 0.00 0.27 -0.22 0.00 1.02 0.00 0.00 55.06 56.13 2r3w s HIS 69 Cb 0.00 -2.19 -0.02 0.00 -1.02 0.00 0.00 32.58 29.35 2r3w s HIS 69 CO 0.00 0.20 0.68 0.15 1.02 0.00 0.00 174.74 176.79 2r3w s LYS 70 N 0.60 4.25 0.10 1.40 1.02 -1.26 -1.09 119.74 124.76 2r3w s LYS 70 Ca 0.07 0.73 0.01 0.00 0.02 0.00 0.00 55.97 56.80 2r3w s LYS 70 Cb -0.12 -3.56 -0.04 0.00 -0.52 0.00 0.00 37.83 33.58 2r3w s LYS 70 CO 0.00 -0.23 -0.05 0.00 -0.92 0.00 0.00 175.35 174.16 2r3w s ALA 71 N 1.87 0.91 -0.07 5.17 0.00 0.15 -4.97 121.76 124.81 2r3w s ALA 71 Ca 0.32 -1.35 0.04 0.00 0.00 0.00 0.00 51.96 50.97 2r3w s ALA 71 Cb -0.16 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 2r3w s ALA 71 CO 0.11 -0.28 -0.21 0.42 0.00 0.00 0.00 175.76 175.80 2r3w s ILE 72 N -3.71 2.37 0.04 0.00 1.01 -1.26 -0.39 121.20 119.26 2r3w s ILE 72 Ca 0.13 -0.95 -0.14 0.00 0.00 0.00 0.00 60.65 59.69 2r3w s ILE 72 Cb 0.06 -1.90 0.05 0.00 0.01 0.00 0.00 42.46 40.68 2r3w s ILE 72 CO -0.05 0.56 0.63 0.61 0.00 0.00 0.00 174.94 176.70 2r3w n GLY 73 N 3.02 0.65 3.74 6.18 0.00 -0.03 -4.90 105.19 113.85 2r3w n GLY 73 Ca -0.18 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.18 4.60 -0.08 2.61 2.01 -1.26 0.57 115.64 121.91 2r3w s THR 74 Ca 0.14 1.87 0.02 0.00 0.31 0.00 0.00 61.69 64.04 2r3w s THR 74 Cb -0.01 -4.23 0.01 0.00 0.01 0.00 0.00 72.50 68.28 2r3w s THR 74 CO 0.01 0.34 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.45 2r3w s VAL 75 N -0.05 1.31 -0.15 3.82 1.01 -0.00 -4.37 120.40 121.97 2r3w s VAL 75 Ca 0.43 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.71 2r3w s VAL 75 Cb -0.22 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 2r3w s VAL 75 CO 0.27 0.40 0.27 -0.76 0.00 0.00 0.00 175.10 175.27 2r3w s LEU 76 N 0.68 4.27 -0.14 3.92 1.43 -0.27 -1.19 118.68 127.39 2r3w s LEU 76 Ca -0.14 0.50 0.02 0.00 -1.03 0.00 0.00 54.13 53.48 2r3w s LEU 76 Cb -0.16 -2.32 0.01 0.00 0.03 0.00 0.00 46.19 43.74 2r3w s LEU 76 CO 0.04 0.16 -0.20 -0.69 0.23 0.00 0.00 176.35 175.89 2r3w s VAL 77 N 0.18 2.29 -0.07 -1.59 1.01 -0.07 -0.92 120.40 121.22 2r3w s VAL 77 Ca 0.16 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2r3w s VAL 77 Cb -0.13 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.32 2r3w s VAL 77 CO 0.04 0.54 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2r3w n GLY 78 N 4.03 -1.21 2.47 4.51 0.00 -0.79 -0.60 105.19 113.60 2r3w n GLY 78 Ca -0.20 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 44.71 2r3w n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2r3w n PRO 79 N -0.00 2.58 -3.16 1.61 -0.04 -1.26 -3.23 135.00 131.49 2r3w n PRO 79 Ca 0.00 -1.65 -0.35 0.00 -0.04 0.00 0.00 63.50 61.46 2r3w n PRO 79 Cb 0.00 -2.52 -0.06 0.00 -0.04 0.00 0.00 33.50 30.88 2r3w n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2r3w s THR 80 N 2.84 4.65 -1.18 0.52 -1.32 -1.26 -4.95 115.64 114.94 2r3w s THR 80 Ca 0.50 1.11 0.27 0.00 -1.21 0.00 0.00 61.69 62.36 2r3w s THR 80 Cb 0.14 -3.77 0.33 0.00 -1.51 0.00 0.00 72.50 67.69 2r3w s THR 80 CO -0.04 0.10 1.88 -0.81 -2.21 0.00 0.00 174.62 173.55 2r3w n PRO 81 N 0.43 0.16 -3.68 7.08 -0.04 -1.26 -4.66 135.00 133.03 2r3w n PRO 81 Ca -0.01 0.04 -0.09 0.00 -0.04 0.00 0.00 63.50 63.39 2r3w n PRO 81 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 2r3w n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2r3w s VAL 82 N -2.82 -0.05 -0.08 0.52 0.11 -1.26 -5.12 120.40 111.70 2r3w s VAL 82 Ca 0.18 0.07 -0.30 0.00 -2.93 0.00 0.00 61.98 59.01 2r3w s VAL 82 Cb 0.18 -0.70 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 2r3w s VAL 82 CO 0.45 0.03 1.34 0.20 -3.33 0.00 0.00 175.10 173.80 2r3w s ASN 83 N 1.51 6.90 0.03 3.54 0.01 -1.26 -4.78 114.94 120.90 2r3w s ASN 83 Ca -0.09 1.91 0.04 0.00 -0.71 0.00 0.00 52.86 54.01 2r3w s ASN 83 Cb -0.08 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.01 2r3w s ASN 83 CO -0.14 -0.73 -0.12 0.68 -1.51 0.00 0.00 177.10 175.27 2r3w s VAL 84 N 2.97 0.94 -0.36 1.60 -7.23 0.32 -0.93 120.40 117.71 2r3w s VAL 84 Ca 0.60 -0.93 -0.19 0.00 -1.81 0.00 0.00 61.98 59.65 2r3w s VAL 84 Cb -0.27 -0.87 0.00 0.00 0.56 0.00 0.00 36.38 35.80 2r3w s VAL 84 CO 0.22 -0.04 0.58 -0.63 -0.31 0.00 0.00 175.10 174.91 2r3w s ILE 85 N -0.85 4.94 0.69 -0.62 -1.09 0.09 -1.39 121.20 122.97 2r3w s ILE 85 Ca -0.00 0.41 0.01 0.00 -2.23 0.00 0.00 60.65 58.84 2r3w s ILE 85 Cb -0.08 -4.04 0.12 0.00 -1.58 0.00 0.00 42.46 36.88 2r3w s ILE 85 CO 0.01 -0.31 0.95 -0.83 -1.23 0.00 0.00 174.94 173.53 2r3w s GLY 86 N 1.80 1.76 0.35 6.18 0.00 -1.24 -0.72 107.32 115.45 2r3w s GLY 86 Ca 0.21 -1.80 0.06 0.00 0.00 0.00 0.00 44.72 43.19 2r3w s GLY 86 CO 0.15 -1.26 1.94 3.21 0.00 0.00 0.00 173.10 177.14 2r3w h ARG 87 N -0.39 0.76 -0.57 2.90 3.08 -1.24 -0.62 114.38 118.32 2r3w h ARG 87 Ca -0.35 -0.05 0.16 0.00 0.07 0.00 0.00 59.98 59.82 2r3w h ARG 87 Cb 1.27 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 31.13 2r3w h ARG 87 CO 0.40 0.51 0.42 -2.95 -1.07 0.00 0.00 179.97 177.28 2r3w h ASN 88 N 0.79 0.00 0.00 7.04 -1.07 -1.81 -1.10 115.58 119.44 2r3w h ASN 88 Ca 0.34 0.00 -0.18 0.00 0.07 0.00 0.00 56.30 56.53 2r3w h ASN 88 Cb 0.32 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.53 2r3w h ASN 88 CO -0.12 0.00 -1.74 0.18 0.07 0.00 0.00 177.43 175.82 2r3w n LEU 89 N -4.28 0.00 -0.07 6.14 4.77 -0.69 -4.46 117.00 118.41 2r3w n LEU 89 Ca 0.11 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.17 2r3w n LEU 89 Cb 0.66 0.25 0.45 0.00 -2.33 0.00 0.00 43.42 42.44 2r3w n LEU 89 CO 0.36 0.25 1.18 -0.07 -1.33 0.00 0.00 177.39 177.78 2r3w h LEU 90 N 0.00 0.46 -1.34 2.23 3.38 -0.74 -1.86 115.31 117.43 2r3w h LEU 90 Ca -0.27 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 2r3w h LEU 90 Cb 1.58 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.21 2r3w h LEU 90 CO 0.01 0.30 -0.03 0.71 0.09 0.00 0.00 178.44 179.52 2r3w h THR 91 N 0.52 1.18 0.00 0.22 1.35 -1.43 -1.39 112.91 113.36 2r3w h THR 91 Ca 0.24 -0.72 -0.05 0.00 -0.55 0.00 0.00 66.41 65.33 2r3w h THR 91 Cb 0.27 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.70 2r3w h THR 91 CO -0.07 0.24 -0.23 1.56 -0.25 0.00 0.00 175.52 176.77 2r3w h GLN 92 N 0.39 0.00 -0.25 4.72 1.08 -1.56 -1.21 115.11 118.29 2r3w h GLN 92 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2r3w h GLN 92 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2r3w h GLN 92 CO 0.01 0.23 0.00 0.44 -0.95 0.00 0.00 178.83 178.56 2r3w n ILE 93 N -3.44 0.31 -1.93 2.54 -5.35 -1.08 -4.95 119.36 105.47 2r3w n ILE 93 Ca -0.00 -0.53 -0.02 0.00 -0.27 0.00 0.00 62.75 61.92 2r3w n ILE 93 Cb 0.42 0.74 -0.00 0.00 -1.74 0.00 0.00 39.64 39.05 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 1.32 0.30 3.71 3.28 0.00 -0.46 -5.00 105.19 108.35 2r3w n GLY 94 Ca 0.17 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 1.01 1.76 -0.09 0.00 -4.23 -1.26 -4.69 115.64 108.13 2r3w s THR 96 Ca 0.45 -2.18 -0.19 0.00 -1.18 0.00 0.00 61.69 58.59 2r3w s THR 96 Cb -0.19 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 2r3w s THR 96 CO 0.22 -0.56 0.52 -0.76 -0.54 0.00 0.00 174.62 173.50 2r3w s LEU 97 N -3.24 4.30 -0.02 4.79 1.43 -1.26 -5.08 118.68 119.60 2r3w s LEU 97 Ca 0.22 0.91 -0.00 0.00 -1.03 0.00 0.00 54.13 54.23 2r3w s LEU 97 Cb -0.01 -2.77 0.03 0.00 0.03 0.00 0.00 46.19 43.46 2r3w s LEU 97 CO 0.07 0.01 0.03 0.20 0.23 0.00 0.00 176.35 176.89 2r3w s ASN 98 N 0.49 0.21 0.00 2.29 -0.87 -1.26 -5.29 114.94 110.52 2r3w s ASN 98 Ca 0.28 0.03 0.00 0.00 -1.57 0.00 0.00 52.86 51.60 2r3w s ASN 98 Cb -0.16 -0.10 0.00 0.00 -0.02 0.00 0.00 41.25 40.97 2r3w s ASN 98 CO 0.12 -0.14 0.00 2.22 -2.57 0.00 0.00 177.10 176.74