#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o4l s GLN 2 N 0.00 3.47 -0.24 0.54 0.74 -1.26 -5.10 119.66 117.81 2o4l s GLN 2 Ca 0.00 -0.61 -0.02 0.00 0.05 0.00 0.00 55.36 54.78 2o4l s GLN 2 Cb 0.00 -2.85 0.02 0.00 1.10 0.00 0.00 33.01 31.28 2o4l s GLN 2 CO 0.00 0.08 -0.06 0.42 -0.55 0.00 0.00 175.29 175.18 2o4l s ILE 3 N 0.73 2.95 0.81 -2.34 1.01 -1.26 -5.11 121.20 117.99 2o4l s ILE 3 Ca -0.03 -0.89 -0.11 0.00 0.00 0.00 0.00 60.65 59.62 2o4l s ILE 3 Cb -0.15 -2.44 0.11 0.00 0.01 0.00 0.00 42.46 39.98 2o4l s ILE 3 CO 0.02 0.27 1.16 0.42 0.00 0.00 0.00 174.94 176.80 2o4l s THR 4 N 1.36 2.09 -0.11 2.92 -4.23 -1.26 -5.03 115.64 111.38 2o4l s THR 4 Ca 0.02 -0.12 0.15 0.00 -1.18 0.00 0.00 61.69 60.56 2o4l s THR 4 Cb -0.16 -2.97 0.24 0.00 1.34 0.00 0.00 72.50 70.95 2o4l s THR 4 CO -0.05 0.00 1.13 0.18 -0.54 0.00 0.00 174.62 175.34 2o4l n LEU 5 N -3.28 2.33 0.23 4.79 4.77 -1.26 -4.60 117.00 119.98 2o4l n LEU 5 Ca 0.10 -2.87 0.08 0.00 -0.03 0.00 0.00 56.01 53.29 2o4l n LEU 5 Cb 0.60 -0.35 0.57 0.00 -2.33 0.00 0.00 43.42 41.92 2o4l n LEU 5 CO 0.52 0.67 0.90 -0.50 -1.33 0.00 0.00 177.39 177.65 2o4l h TRP 6 N 0.06 0.00 -2.35 -1.77 4.06 -2.06 -3.43 115.95 110.46 2o4l h TRP 6 Ca 0.00 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.41 2o4l h TRP 6 Cb 0.91 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.94 2o4l h TRP 6 CO 0.02 0.19 -0.64 0.15 -3.56 0.00 0.00 178.44 174.60 2o4l s LYS 7 N -4.32 1.72 0.25 0.49 1.02 -1.26 -5.11 119.74 112.53 2o4l s LYS 7 Ca -0.03 -1.93 -0.31 0.00 0.02 0.00 0.00 55.97 53.72 2o4l s LYS 7 Cb 0.14 -1.27 -0.12 0.00 -0.52 0.00 0.00 37.83 36.06 2o4l s LYS 7 CO 0.65 -0.04 1.59 0.54 -0.92 0.00 0.00 175.35 177.17 2o4l n ARG 8 N -0.74 2.56 -1.66 1.68 1.74 -1.26 -4.86 116.66 114.12 2o4l n ARG 8 Ca -0.04 0.91 -0.41 0.00 -0.77 0.00 0.00 57.85 57.54 2o4l n ARG 8 Cb 0.65 -2.69 -0.03 0.00 -1.02 0.00 0.00 32.46 29.38 2o4l n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2o4l n PRO 9 N 2.69 2.31 -3.24 5.56 -0.04 -1.26 -4.92 135.00 136.09 2o4l n PRO 9 Ca 0.12 -2.41 -0.39 0.00 -0.04 0.00 0.00 63.50 60.79 2o4l n PRO 9 Cb 0.35 -3.22 -0.06 0.00 -0.04 0.00 0.00 33.50 30.53 2o4l n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2o4l s LEU 10 N 2.88 4.35 0.18 1.53 1.43 -1.26 -1.17 118.68 126.62 2o4l s LEU 10 Ca 0.53 1.02 0.02 0.00 -1.03 0.00 0.00 54.13 54.67 2o4l s LEU 10 Cb 0.12 -2.84 -0.05 0.00 0.03 0.00 0.00 46.19 43.45 2o4l s LEU 10 CO 0.03 0.04 0.00 0.68 0.23 0.00 0.00 176.35 177.33 2o4l s VAL 11 N 0.23 0.72 -0.02 -1.59 -7.23 0.10 -4.95 120.40 107.66 2o4l s VAL 11 Ca 0.30 -1.99 -0.23 0.00 -1.81 0.00 0.00 61.98 58.24 2o4l s VAL 11 Cb -0.17 -2.16 -0.05 0.00 0.56 0.00 0.00 36.38 34.57 2o4l s VAL 11 CO 0.14 -0.44 0.70 -0.89 -0.31 0.00 0.00 175.10 174.31 2o4l s THR 12 N -3.63 4.92 0.22 5.32 2.01 -1.26 -0.86 115.64 122.36 2o4l s THR 12 Ca 0.25 1.47 0.10 0.00 0.31 0.00 0.00 61.69 63.82 2o4l s THR 12 Cb 0.06 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 2o4l s THR 12 CO 0.05 0.32 -0.09 0.27 -0.69 0.00 0.00 174.62 174.47 2o4l s ILE 13 N 0.35 3.13 -0.10 1.82 -4.36 0.39 -1.62 121.20 120.82 2o4l s ILE 13 Ca 0.37 -1.83 0.03 0.00 -0.26 0.00 0.00 60.65 58.95 2o4l s ILE 13 Cb -0.19 -2.59 0.01 0.00 1.25 0.00 0.00 42.46 40.94 2o4l s ILE 13 CO 0.20 -0.21 -0.18 -0.75 0.24 0.00 0.00 174.94 174.23 2o4l s LYS 14 N -3.12 2.45 -0.12 0.37 2.20 -0.08 -1.09 119.74 120.36 2o4l s LYS 14 Ca 0.27 -0.66 -0.07 0.00 -0.36 0.00 0.00 55.97 55.15 2o4l s LYS 14 Cb -0.08 -1.97 0.04 0.00 -1.51 0.00 0.00 37.83 34.32 2o4l s LYS 14 CO 0.16 0.04 0.29 -1.50 -0.36 0.00 0.00 175.35 173.97 2o4l s ILE 15 N 0.70 -0.03 -1.58 5.43 2.07 -0.50 -1.00 121.20 126.28 2o4l s ILE 15 Ca -0.12 0.10 -0.01 0.00 -1.41 0.00 0.00 60.65 59.20 2o4l s ILE 15 Cb -0.16 -0.43 0.00 0.00 0.13 0.00 0.00 42.46 42.00 2o4l s ILE 15 CO 0.03 0.04 0.16 0.61 -1.91 0.00 0.00 174.94 173.86 2o4l n GLY 16 N 3.89 -0.50 2.78 1.50 0.00 -1.26 -1.80 105.19 109.79 2o4l n GLY 16 Ca -0.22 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2o4l n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o4l n GLY 17 N -1.10 0.91 3.41 -0.02 0.00 -1.26 -5.02 105.19 102.12 2o4l n GLY 17 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 2o4l n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2o4l s GLN 18 N -0.02 2.02 0.13 1.61 -1.52 -0.75 -5.12 119.66 116.03 2o4l s GLN 18 Ca 0.00 -1.00 -0.20 0.00 -1.95 0.00 0.00 55.36 52.21 2o4l s GLN 18 Cb 0.00 -2.13 -0.07 0.00 -0.22 0.00 0.00 33.01 30.59 2o4l s GLN 18 CO 0.00 0.54 0.65 -0.51 -0.25 0.00 0.00 175.29 175.72 2o4l s LEU 19 N -1.27 4.49 0.05 2.90 1.43 -1.26 -1.41 118.68 123.61 2o4l s LEU 19 Ca 0.13 1.37 -0.01 0.00 -1.03 0.00 0.00 54.13 54.59 2o4l s LEU 19 Cb -0.10 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.90 2o4l s LEU 19 CO 0.03 0.19 -0.01 -0.54 0.23 0.00 0.00 176.35 176.25 2o4l s LYS 20 N -1.39 0.63 -0.08 1.70 1.02 -0.25 -4.99 119.74 116.39 2o4l s LYS 20 Ca 0.34 -1.21 -0.12 0.00 0.02 0.00 0.00 55.97 55.01 2o4l s LYS 20 Cb -0.19 0.22 -0.05 0.00 -0.52 0.00 0.00 37.83 37.29 2o4l s LYS 20 CO 0.21 -0.12 0.29 -2.00 -0.92 0.00 0.00 175.35 172.81 2o4l s GLU 21 N -3.92 3.86 0.06 1.68 2.12 -1.26 -0.46 118.70 120.78 2o4l s GLU 21 Ca 0.07 0.15 -0.06 0.00 0.36 0.00 0.00 54.97 55.49 2o4l s GLU 21 Cb 0.08 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 31.18 2o4l s GLU 21 CO -0.10 0.59 0.10 0.00 -0.54 0.00 0.00 175.26 175.31 2o4l s ALA 22 N -0.63 0.01 -0.24 6.30 0.00 -0.04 -4.44 121.76 122.73 2o4l s ALA 22 Ca 0.19 -0.72 -0.10 0.00 0.00 0.00 0.00 51.96 51.33 2o4l s ALA 22 Cb -0.14 0.33 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 2o4l s ALA 22 CO 0.08 -0.40 0.15 -1.17 0.00 0.00 0.00 175.76 174.42 2o4l s LEU 23 N -2.56 4.00 -0.32 0.00 2.96 0.46 -0.72 118.68 122.49 2o4l s LEU 23 Ca 0.01 0.06 -0.29 0.00 -0.22 0.00 0.00 54.13 53.69 2o4l s LEU 23 Cb 0.03 -2.07 0.01 0.00 0.50 0.00 0.00 46.19 44.65 2o4l s LEU 23 CO -0.08 0.05 1.26 -0.76 -1.32 0.00 0.00 176.35 175.50 2o4l s LEU 24 N 1.15 3.86 -0.35 -0.68 1.43 -0.32 -0.60 118.68 123.17 2o4l s LEU 24 Ca 0.07 1.11 0.01 0.00 -1.03 0.00 0.00 54.13 54.30 2o4l s LEU 24 Cb -0.14 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.65 2o4l s LEU 24 CO 0.05 -1.08 0.11 -0.62 0.23 0.00 0.00 176.35 175.04 2o4l s ASP 25 N 2.65 4.22 0.27 2.29 -1.08 -0.12 -4.79 116.67 120.11 2o4l s ASP 25 Ca 0.54 -2.03 0.23 0.00 -0.52 0.00 0.00 52.55 50.78 2o4l s ASP 25 Cb -0.15 -1.17 1.02 0.00 -1.46 0.00 0.00 42.92 41.15 2o4l s ASP 25 CO 0.23 -0.37 1.71 0.35 0.52 0.00 0.00 175.17 177.61 2o4l n THR 26 N 4.36 0.86 1.38 1.71 -2.24 -1.26 -2.23 114.28 116.87 2o4l n THR 26 Ca 0.02 0.31 0.11 0.00 -2.27 0.00 0.00 64.05 62.22 2o4l n THR 26 Cb 0.40 -1.25 0.44 0.00 -2.10 0.00 0.00 70.33 67.82 2o4l n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2o4l n GLY 27 N -0.20 0.05 3.51 3.38 0.00 -1.26 -4.81 105.19 105.86 2o4l n GLY 27 Ca 0.02 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 2o4l n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o4l s ALA 28 N -1.86 3.20 0.21 4.61 0.00 -0.95 -4.98 121.76 122.00 2o4l s ALA 28 Ca 0.33 -0.96 -0.09 0.00 0.00 0.00 0.00 51.96 51.24 2o4l s ALA 28 Cb 0.18 -1.93 0.17 0.00 0.00 0.00 0.00 23.12 21.53 2o4l s ALA 28 CO 0.27 -0.17 1.82 -0.44 0.00 0.00 0.00 175.76 177.25 2o4l h ASP 29 N 7.51 1.02 -2.26 0.00 3.32 -1.87 0.15 116.42 124.29 2o4l h ASP 29 Ca -0.36 -0.11 -0.58 0.00 0.02 0.00 0.00 57.03 55.99 2o4l h ASP 29 Cb 1.18 -0.26 -0.14 0.00 0.22 0.00 0.00 39.33 40.33 2o4l h ASP 29 CO 0.62 0.84 -0.68 -1.81 -1.72 0.00 0.00 179.24 176.49 2o4l s ASP 30 N -6.17 3.42 -0.21 6.45 1.01 -1.26 -2.38 116.67 117.54 2o4l s ASP 30 Ca -0.13 -1.18 -0.14 0.00 0.71 0.00 0.00 52.55 51.81 2o4l s ASP 30 Cb 0.16 -0.29 -0.04 0.00 1.01 0.00 0.00 42.92 43.75 2o4l s ASP 30 CO 0.82 -0.23 0.32 -0.89 0.21 0.00 0.00 175.17 175.39 2o4l s THR 31 N -2.73 5.26 -0.10 -1.27 2.01 -1.26 -3.21 115.64 114.34 2o4l s THR 31 Ca 0.31 0.52 0.00 0.00 0.31 0.00 0.00 61.69 62.84 2o4l s THR 31 Cb 0.02 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 68.91 2o4l s THR 31 CO 0.15 0.29 -0.08 0.54 -0.69 0.00 0.00 174.62 174.83 2o4l s VAL 32 N 1.21 0.97 0.09 3.82 0.11 -0.31 -0.84 120.40 125.46 2o4l s VAL 32 Ca 0.15 -0.29 0.05 0.00 -2.93 0.00 0.00 61.98 58.97 2o4l s VAL 32 Cb -0.14 -0.98 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 2o4l s VAL 32 CO 0.07 0.35 -0.03 -0.76 -3.33 0.00 0.00 175.10 171.40 2o4l s LEU 33 N 1.48 3.35 0.86 2.54 1.43 0.37 -0.52 118.68 128.20 2o4l s LEU 33 Ca 0.00 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 52.76 2o4l s LEU 33 Cb -0.13 -2.09 0.10 0.00 0.03 0.00 0.00 46.19 44.10 2o4l s LEU 33 CO -0.05 0.18 1.11 -0.62 0.23 0.00 0.00 176.35 177.20 2o4l n GLU 34 N 0.64 -0.09 -1.52 1.70 1.02 -1.26 -1.83 120.64 119.30 2o4l n GLU 34 Ca -0.12 0.05 -0.57 0.00 -0.02 0.00 0.00 57.16 56.50 2o4l n GLU 34 Cb 0.52 -2.36 -0.07 0.00 -0.02 0.00 0.00 31.44 29.51 2o4l n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2o4l n GLU 35 N -3.48 0.32 -3.82 3.49 -0.58 -1.23 -4.65 120.64 110.70 2o4l n GLU 35 Ca 0.12 0.12 -0.04 0.00 -0.42 0.00 0.00 57.16 56.94 2o4l n GLU 35 Cb 0.51 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 2o4l n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2o4l s MET 36 N 0.13 1.44 -0.10 3.49 0.23 -1.26 -5.05 119.30 118.18 2o4l s MET 36 Ca 0.89 -0.87 -0.03 0.00 -1.03 0.00 0.00 55.69 54.65 2o4l s MET 36 Cb -1.18 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 32.53 2o4l s MET 36 CO 0.54 -0.67 0.02 -1.12 -2.03 0.00 0.00 175.02 171.77 2o4l s SER 37 N -3.13 5.39 0.05 -1.18 0.01 -1.26 -5.04 113.70 108.53 2o4l s SER 37 Ca 0.16 0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.61 2o4l s SER 37 Cb -0.03 -1.58 -0.03 0.00 0.21 0.00 0.00 66.02 64.60 2o4l s SER 37 CO 0.05 0.37 -0.06 -0.76 0.41 0.00 0.00 173.24 173.25 2o4l s LEU 38 N -0.81 2.30 0.63 2.44 1.43 -1.26 -5.05 118.68 118.36 2o4l s LEU 38 Ca 0.13 -0.63 -0.09 0.00 -1.03 0.00 0.00 54.13 52.50 2o4l s LEU 38 Cb -0.12 -0.07 -0.01 0.00 0.03 0.00 0.00 46.19 46.02 2o4l s LEU 38 CO 0.02 -0.29 0.99 -2.16 0.23 0.00 0.00 176.35 175.15 2o4l s PRO 39 N -2.01 3.18 0.29 1.29 0.04 -1.26 -4.97 135.00 131.56 2o4l s PRO 39 Ca -0.07 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.38 2o4l s PRO 39 Cb -0.07 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2o4l s PRO 39 CO -0.01 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.72 2o4l n GLY 40 N -2.74 -2.16 3.88 0.56 0.00 -1.26 -4.95 105.19 98.52 2o4l n GLY 40 Ca 0.05 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 2o4l n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2o4l s ARG 41 N -0.18 3.74 0.13 1.61 0.52 -1.26 -5.09 118.95 118.41 2o4l s ARG 41 Ca 0.00 0.48 0.03 0.00 -0.52 0.00 0.00 55.73 55.73 2o4l s ARG 41 Cb 0.00 -2.34 -0.04 0.00 0.52 0.00 0.00 34.95 33.09 2o4l s ARG 41 CO 0.00 -0.13 -0.09 1.67 0.02 0.00 0.00 175.30 176.77 2o4l s TRP 42 N -2.53 1.11 0.15 -0.53 1.48 -1.26 -4.62 118.94 112.75 2o4l s TRP 42 Ca 0.51 -0.82 0.07 0.00 -1.06 0.00 0.00 56.10 54.81 2o4l s TRP 42 Cb -0.10 -0.59 -0.04 0.00 -1.16 0.00 0.00 33.47 31.58 2o4l s TRP 42 CO 0.36 -0.01 -0.16 0.15 -4.06 0.00 0.00 176.95 173.23 2o4l s LYS 43 N -3.74 1.17 0.39 3.25 1.02 -0.67 -4.91 119.74 116.24 2o4l s LYS 43 Ca 0.14 -1.37 -0.19 0.00 0.02 0.00 0.00 55.97 54.57 2o4l s LYS 43 Cb 0.03 -1.09 -0.10 0.00 -0.52 0.00 0.00 37.83 36.15 2o4l s LYS 43 CO -0.02 0.21 0.88 -1.25 -0.92 0.00 0.00 175.35 174.25 2o4l s PRO 44 N -2.92 4.17 -0.07 -1.68 0.04 -1.26 -0.20 135.00 133.07 2o4l s PRO 44 Ca 0.14 0.98 -0.14 0.00 0.04 0.00 0.00 61.00 62.02 2o4l s PRO 44 Cb -0.04 -2.28 0.03 0.00 0.04 0.00 0.00 34.50 32.25 2o4l s PRO 44 CO 0.05 0.04 0.34 0.21 0.04 0.00 0.00 177.00 177.67 2o4l s LYS 45 N -3.08 0.55 -0.16 4.56 2.20 -0.95 -4.85 119.74 118.00 2o4l s LYS 45 Ca 0.59 0.15 -0.03 0.00 -0.36 0.00 0.00 55.97 56.32 2o4l s LYS 45 Cb -0.10 0.25 -0.02 0.00 -1.51 0.00 0.00 37.83 36.45 2o4l s LYS 45 CO 0.15 -0.12 -0.05 -1.64 -0.36 0.00 0.00 175.35 173.33 2o4l s MET 46 N -0.58 3.57 0.05 4.03 -1.94 -1.26 -0.80 119.30 122.38 2o4l s MET 46 Ca -0.07 -0.57 0.08 0.00 -1.71 0.00 0.00 55.69 53.42 2o4l s MET 46 Cb -0.04 -2.89 -0.03 0.00 2.01 0.00 0.00 34.83 33.89 2o4l s MET 46 CO 0.02 0.16 -0.21 0.96 -0.01 0.00 0.00 175.02 175.94 2o4l s ILE 47 N 0.57 1.71 0.08 2.53 -4.36 -0.45 -4.97 121.20 116.30 2o4l s ILE 47 Ca -0.04 -1.26 0.08 0.00 -0.26 0.00 0.00 60.65 59.18 2o4l s ILE 47 Cb -0.15 -1.49 -0.03 0.00 1.25 0.00 0.00 42.46 42.04 2o4l s ILE 47 CO 0.03 0.18 -0.22 -0.83 0.24 0.00 0.00 174.94 174.33 2o4l s GLY 48 N -1.28 1.27 0.00 6.27 0.00 -1.26 -0.86 107.32 111.46 2o4l s GLY 48 Ca 0.08 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.58 2o4l s GLY 48 CO 0.02 -1.18 0.00 0.61 0.00 0.00 0.00 173.10 172.55 2o4l n GLY 49 N 1.41 2.55 3.73 0.20 0.00 -0.90 -5.00 105.19 107.18 2o4l n GLY 49 Ca -0.18 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 2o4l n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2o4l s VAL 50 N -1.90 2.46 0.00 1.61 1.01 -1.26 -1.70 120.40 120.62 2o4l s VAL 50 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2o4l s VAL 50 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.16 2o4l s VAL 50 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.74 2o4l n GLY 51 N 3.41 2.35 0.00 4.51 0.00 -1.26 -4.95 105.19 109.25 2o4l n GLY 51 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2o4l n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o4l n GLY 52 N -2.00 0.46 3.83 -0.02 0.00 -0.69 -5.06 105.19 101.72 2o4l n GLY 52 Ca 0.00 -2.20 -0.33 0.00 0.00 0.00 0.00 46.02 43.50 2o4l n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2o4l s PHE 53 N -0.11 3.38 0.09 1.61 0.40 -1.26 -2.11 117.98 119.97 2o4l s PHE 53 Ca 0.00 0.25 0.05 0.00 -0.60 0.00 0.00 56.93 56.64 2o4l s PHE 53 Cb 0.00 -1.76 -0.03 0.00 0.51 0.00 0.00 43.02 41.73 2o4l s PHE 53 CO 0.00 0.59 -0.14 0.96 0.70 0.00 0.00 175.22 177.33 2o4l s ILE 54 N -1.26 1.17 0.00 0.64 -4.36 -0.04 -4.98 121.20 112.37 2o4l s ILE 54 Ca 0.25 -1.46 -0.21 0.00 -0.26 0.00 0.00 60.65 58.97 2o4l s ILE 54 Cb -0.12 -1.24 -0.05 0.00 1.25 0.00 0.00 42.46 42.30 2o4l s ILE 54 CO 0.17 -0.30 0.63 -0.54 0.24 0.00 0.00 174.94 175.13 2o4l s LYS 55 N -2.10 4.36 0.19 0.37 1.02 -1.26 -1.34 119.74 120.97 2o4l s LYS 55 Ca 0.02 0.80 0.02 0.00 0.02 0.00 0.00 55.97 56.83 2o4l s LYS 55 Cb -0.08 -3.35 -0.05 0.00 -0.52 0.00 0.00 37.83 33.83 2o4l s LYS 55 CO 0.02 0.34 -0.00 0.14 -0.92 0.00 0.00 175.35 174.93 2o4l s VAL 56 N -0.12 0.80 -0.20 3.17 -7.23 0.02 -4.45 120.40 112.38 2o4l s VAL 56 Ca 0.33 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.41 2o4l s VAL 56 Cb -0.19 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.54 2o4l s VAL 56 CO 0.18 -0.45 0.11 -0.13 -0.31 0.00 0.00 175.10 174.51 2o4l s ARG 57 N -3.89 4.06 -0.30 4.82 0.52 0.08 -2.25 118.95 121.99 2o4l s ARG 57 Ca 0.25 -0.29 -0.12 0.00 -0.52 0.00 0.00 55.73 55.05 2o4l s ARG 57 Cb 0.06 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.12 2o4l s ARG 57 CO 0.05 0.21 0.22 -1.14 0.02 0.00 0.00 175.30 174.66 2o4l s GLN 58 N 0.58 3.78 -0.15 3.54 0.74 0.72 -0.65 119.66 128.22 2o4l s GLN 58 Ca 0.06 -0.43 -0.03 0.00 0.05 0.00 0.00 55.36 55.01 2o4l s GLN 58 Cb -0.12 -3.72 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 2o4l s GLN 58 CO 0.01 -0.29 -0.06 0.71 -0.55 0.00 0.00 175.29 175.11 2o4l s TYR 59 N 1.76 2.98 0.15 1.67 1.51 -0.34 -1.68 117.35 123.41 2o4l s TYR 59 Ca 0.07 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 55.80 2o4l s TYR 59 Cb -0.17 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 2o4l s TYR 59 CO 0.11 -0.07 0.24 -0.51 -1.11 0.00 0.00 175.55 174.21 2o4l s ASP 60 N 0.34 6.09 -1.30 2.29 1.01 -1.26 -0.81 116.67 123.03 2o4l s ASP 60 Ca -0.06 0.08 -0.01 0.00 0.71 0.00 0.00 52.55 53.27 2o4l s ASP 60 Cb -0.15 -1.77 0.01 0.00 1.01 0.00 0.00 42.92 42.03 2o4l s ASP 60 CO 0.04 0.06 0.82 1.67 0.21 0.00 0.00 175.17 177.97 2o4l n GLN 61 N -0.47 -5.57 -3.58 8.23 7.27 -1.11 -4.91 117.38 117.23 2o4l n GLN 61 Ca -0.07 0.69 -0.36 0.00 0.07 0.00 0.00 57.00 57.32 2o4l n GLN 61 Cb 0.54 -5.42 -0.07 0.00 2.41 0.00 0.00 30.24 27.70 2o4l n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2o4l s ILE 62 N -3.54 5.32 0.03 1.69 -1.09 0.05 -4.71 121.20 118.94 2o4l s ILE 62 Ca 0.08 0.49 -0.30 0.00 -2.23 0.00 0.00 60.65 58.68 2o4l s ILE 62 Cb -0.04 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.19 2o4l s ILE 62 CO 0.79 0.42 1.26 -0.76 -1.23 0.00 0.00 174.94 175.41 2o4l s LEU 63 N 0.30 4.34 -0.18 2.97 1.02 -1.26 -1.46 118.68 124.40 2o4l s LEU 63 Ca 0.15 2.02 -0.09 0.00 0.02 0.00 0.00 54.13 56.23 2o4l s LEU 63 Cb -0.13 -3.57 0.06 0.00 0.02 0.00 0.00 46.19 42.57 2o4l s LEU 63 CO 0.03 -0.57 0.42 -0.51 0.02 0.00 0.00 176.35 175.75 2o4l s ILE 64 N 1.62 -0.09 -0.18 -0.59 2.07 -0.48 -4.50 121.20 119.05 2o4l s ILE 64 Ca 0.60 0.10 -0.09 0.00 -1.41 0.00 0.00 60.65 59.85 2o4l s ILE 64 Cb -0.29 -0.63 -0.05 0.00 0.13 0.00 0.00 42.46 41.62 2o4l s ILE 64 CO 0.27 0.04 0.11 -0.70 -1.91 0.00 0.00 174.94 172.75 2o4l s GLU 65 N 1.54 3.99 -0.20 3.50 2.12 -0.17 -0.90 118.70 128.57 2o4l s GLU 65 Ca -0.09 -0.24 0.01 0.00 0.36 0.00 0.00 54.97 55.01 2o4l s GLU 65 Cb -0.09 -3.32 0.04 0.00 0.26 0.00 0.00 34.13 31.03 2o4l s GLU 65 CO -0.13 0.38 -0.10 0.42 -0.54 0.00 0.00 175.26 175.29 2o4l s ILE 66 N 0.11 1.62 -1.47 -3.70 1.01 0.36 -0.90 121.20 118.23 2o4l s ILE 66 Ca 0.08 -0.99 -0.12 0.00 0.00 0.00 0.00 60.65 59.62 2o4l s ILE 66 Cb -0.11 -1.70 0.09 0.00 0.01 0.00 0.00 42.46 40.75 2o4l s ILE 66 CO -0.00 0.17 0.74 0.00 0.00 0.00 0.00 174.94 175.84 2o4l n GLY 68 N -1.43 1.64 3.67 0.00 0.00 -1.26 -5.02 105.19 102.79 2o4l n GLY 68 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2o4l n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o4l s HIS 69 N -3.39 3.35 -0.07 1.61 4.02 0.07 -5.06 115.29 115.82 2o4l s HIS 69 Ca 0.00 0.44 -0.27 0.00 1.02 0.00 0.00 55.06 56.25 2o4l s HIS 69 Cb 0.00 -2.41 -0.03 0.00 -1.02 0.00 0.00 32.58 29.13 2o4l s HIS 69 CO 0.00 0.03 0.87 0.15 1.02 0.00 0.00 174.74 176.81 2o4l s LYS 70 N 1.17 4.45 0.16 1.40 1.02 -1.26 -0.49 119.74 126.19 2o4l s LYS 70 Ca 0.14 1.17 0.07 0.00 0.02 0.00 0.00 55.97 57.37 2o4l s LYS 70 Cb -0.14 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.63 2o4l s LYS 70 CO 0.06 -0.12 -0.14 0.00 -0.92 0.00 0.00 175.35 174.23 2o4l s ALA 71 N 1.34 1.78 -0.14 5.17 0.00 -0.08 -4.88 121.76 124.94 2o4l s ALA 71 Ca 0.44 -1.49 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 2o4l s ALA 71 Cb -0.19 -0.08 0.06 0.00 0.00 0.00 0.00 23.12 22.91 2o4l s ALA 71 CO 0.20 0.09 0.10 0.42 0.00 0.00 0.00 175.76 176.57 2o4l s ILE 72 N -2.59 -0.13 0.00 0.00 1.01 -1.26 -1.39 121.20 116.85 2o4l s ILE 72 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.79 2o4l s ILE 72 Cb -0.02 -0.49 0.00 0.00 0.01 0.00 0.00 42.46 41.96 2o4l s ILE 72 CO 0.05 -0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.43 2o4l n GLY 73 N 5.29 1.59 3.72 6.18 0.00 -0.54 -4.77 105.19 116.66 2o4l n GLY 73 Ca -0.06 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 2o4l n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2o4l s THR 74 N -2.49 4.84 -0.10 2.61 2.01 -1.26 -0.77 115.64 120.48 2o4l s THR 74 Ca 0.00 1.94 0.03 0.00 0.31 0.00 0.00 61.69 63.97 2o4l s THR 74 Cb 0.00 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.25 2o4l s THR 74 CO 0.00 0.21 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.26 2o4l s VAL 75 N 0.78 1.70 -0.02 3.82 1.01 0.01 -4.52 120.40 123.18 2o4l s VAL 75 Ca 0.48 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 2o4l s VAL 75 Cb -0.21 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2o4l s VAL 75 CO 0.26 0.48 0.21 -0.76 0.00 0.00 0.00 175.10 175.30 2o4l s LEU 76 N 0.68 4.37 -0.09 3.92 1.43 -0.02 -1.20 118.68 127.78 2o4l s LEU 76 Ca -0.12 0.46 0.02 0.00 -1.03 0.00 0.00 54.13 53.45 2o4l s LEU 76 Cb -0.16 -2.54 0.01 0.00 0.03 0.00 0.00 46.19 43.53 2o4l s LEU 76 CO 0.03 0.28 -0.14 -0.69 0.23 0.00 0.00 176.35 176.07 2o4l s VAL 77 N -1.26 1.34 -0.53 -1.59 1.01 0.17 -0.47 120.40 119.06 2o4l s VAL 77 Ca 0.25 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2o4l s VAL 77 Cb -0.13 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.02 2o4l s VAL 77 CO 0.15 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2o4l n GLY 78 N 4.07 -0.95 2.17 4.51 0.00 -0.76 -0.74 105.19 113.49 2o4l n GLY 78 Ca -0.20 -0.76 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 2o4l n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2o4l n PRO 79 N 0.00 2.50 -2.92 1.61 -0.04 -1.26 -3.53 135.00 131.36 2o4l n PRO 79 Ca 0.00 -1.40 -0.35 0.00 -0.04 0.00 0.00 63.50 61.71 2o4l n PRO 79 Cb 0.00 -2.28 -0.06 0.00 -0.04 0.00 0.00 33.50 31.11 2o4l n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2o4l s THR 80 N 1.66 4.43 0.19 0.52 -1.32 -1.26 -4.99 115.64 114.86 2o4l s THR 80 Ca 0.63 1.45 0.26 0.00 -1.21 0.00 0.00 61.69 62.82 2o4l s THR 80 Cb 0.24 -3.77 0.27 0.00 -1.51 0.00 0.00 72.50 67.73 2o4l s THR 80 CO -0.02 -0.06 1.90 1.55 -2.21 0.00 0.00 174.62 175.78 2o4l h PRO 81 N 2.63 0.00 -3.66 7.08 0.13 -1.97 -3.44 132.00 132.77 2o4l h PRO 81 Ca -0.48 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.55 2o4l h PRO 81 Cb 1.18 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 2o4l h PRO 81 CO 0.64 0.18 -0.37 0.14 -0.23 0.00 0.00 178.00 178.35 2o4l s VAL 82 N -3.76 0.12 0.09 1.56 -7.23 -1.26 -5.08 120.40 104.84 2o4l s VAL 82 Ca -0.00 -1.01 -0.31 0.00 -1.81 0.00 0.00 61.98 58.85 2o4l s VAL 82 Cb 0.11 -1.11 -0.08 0.00 0.56 0.00 0.00 36.38 35.85 2o4l s VAL 82 CO 0.61 -0.56 1.52 0.20 -0.31 0.00 0.00 175.10 176.57 2o4l s ASN 83 N -2.45 6.70 -0.14 4.85 0.01 -1.26 -4.63 114.94 118.02 2o4l s ASN 83 Ca -0.00 2.41 0.02 0.00 -0.71 0.00 0.00 52.86 54.58 2o4l s ASN 83 Cb 0.02 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.11 2o4l s ASN 83 CO -0.07 -0.79 -0.21 -0.63 -1.51 0.00 0.00 177.10 173.90 2o4l s ILE 84 N 1.89 1.96 -0.34 0.60 1.01 0.33 -0.41 121.20 126.23 2o4l s ILE 84 Ca 0.69 -0.91 -0.16 0.00 0.00 0.00 0.00 60.65 60.26 2o4l s ILE 84 Cb -0.38 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 2o4l s ILE 84 CO 0.30 0.53 0.41 -0.63 0.00 0.00 0.00 174.94 175.55 2o4l s ILE 85 N 0.87 5.12 0.21 2.92 -1.09 0.23 -1.16 121.20 128.30 2o4l s ILE 85 Ca -0.06 0.17 0.03 0.00 -2.23 0.00 0.00 60.65 58.56 2o4l s ILE 85 Cb -0.15 -3.86 0.03 0.00 -1.58 0.00 0.00 42.46 36.90 2o4l s ILE 85 CO -0.02 -0.11 0.27 0.61 -1.23 0.00 0.00 174.94 174.45 2o4l n GLY 86 N 4.88 2.07 0.24 6.18 0.00 -1.20 -0.95 105.19 116.42 2o4l n GLY 86 Ca -0.08 -2.17 0.07 0.00 0.00 0.00 0.00 46.02 43.84 2o4l n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2o4l h ARG 87 N 0.00 0.00 -0.83 1.61 3.08 -0.59 -0.99 114.38 116.67 2o4l h ARG 87 Ca -0.10 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.04 2o4l h ARG 87 Cb 0.45 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 2o4l h ARG 87 CO 0.15 0.10 0.54 -2.95 -1.07 0.00 0.00 179.97 176.73 2o4l h ASN 88 N 0.00 0.73 0.16 7.04 -1.07 -1.73 -1.37 115.58 119.33 2o4l h ASN 88 Ca -0.00 0.02 -0.32 0.00 0.07 0.00 0.00 56.30 56.07 2o4l h ASN 88 Cb 0.18 -0.14 -0.06 0.00 -2.07 0.00 0.00 38.32 36.23 2o4l h ASN 88 CO 0.01 0.44 -2.15 0.18 0.07 0.00 0.00 177.43 175.99 2o4l n LEU 89 N -4.51 0.26 -0.32 6.14 4.77 -0.81 -3.93 117.00 118.60 2o4l n LEU 89 Ca 0.14 0.12 -0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2o4l n LEU 89 Cb 0.30 0.37 0.17 0.00 -2.33 0.00 0.00 43.42 41.92 2o4l n LEU 89 CO 0.32 0.42 1.27 -0.07 -1.33 0.00 0.00 177.39 178.01 2o4l h LEU 90 N 0.00 1.03 -1.05 2.23 3.38 -0.99 -1.40 115.31 118.51 2o4l h LEU 90 Ca -0.43 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 2o4l h LEU 90 Cb 2.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 2o4l h LEU 90 CO 0.04 0.73 -0.04 0.71 0.09 0.00 0.00 178.44 179.97 2o4l h THR 91 N 1.21 1.23 0.00 0.22 1.35 -1.44 -1.16 112.91 114.32 2o4l h THR 91 Ca 0.35 -0.96 -0.04 0.00 -0.55 0.00 0.00 66.41 65.21 2o4l h THR 91 Cb -0.07 0.99 -0.01 0.00 -1.73 0.00 0.00 68.15 67.33 2o4l h THR 91 CO -0.09 0.33 -0.20 1.56 -0.25 0.00 0.00 175.52 176.87 2o4l h GLN 92 N 0.59 0.00 -0.35 4.72 4.20 -1.39 -2.47 115.11 120.40 2o4l h GLN 92 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2o4l h GLN 92 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2o4l h GLN 92 CO 0.02 0.20 0.00 0.44 -0.67 0.00 0.00 178.83 178.82 2o4l n ILE 93 N -4.07 0.46 -2.06 2.54 -5.35 -0.93 -4.95 119.36 104.99 2o4l n ILE 93 Ca -0.02 -0.66 -0.01 0.00 -0.27 0.00 0.00 62.75 61.79 2o4l n ILE 93 Cb 0.27 0.81 -0.00 0.00 -1.74 0.00 0.00 39.64 38.98 2o4l n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2o4l n GLY 94 N 1.42 0.36 3.72 3.28 0.00 -0.93 -5.03 105.19 108.02 2o4l n GLY 94 Ca 0.19 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 2o4l n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o4l s THR 96 N 0.29 1.43 -0.04 0.00 -4.23 -1.26 -4.68 115.64 107.15 2o4l s THR 96 Ca 0.49 -2.12 -0.11 0.00 -1.18 0.00 0.00 61.69 58.77 2o4l s THR 96 Cb -0.24 -2.13 -0.05 0.00 1.34 0.00 0.00 72.50 71.42 2o4l s THR 96 CO 0.30 -0.52 0.29 -0.76 -0.54 0.00 0.00 174.62 173.39 2o4l s LEU 97 N -3.30 4.43 -0.03 4.79 1.43 -1.26 -5.10 118.68 119.64 2o4l s LEU 97 Ca 0.24 0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 54.05 2o4l s LEU 97 Cb 0.02 -2.43 0.03 0.00 0.03 0.00 0.00 46.19 43.84 2o4l s LEU 97 CO 0.07 0.34 0.07 0.20 0.23 0.00 0.00 176.35 177.26 2o4l s ASN 98 N -1.16 -0.02 0.00 2.29 0.01 -1.26 -5.29 114.94 109.51 2o4l s ASN 98 Ca 0.21 0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.50 2o4l s ASN 98 Cb -0.14 0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.58 2o4l s ASN 98 CO 0.10 -0.10 0.00 2.22 -1.51 0.00 0.00 177.10 177.81