#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o4p s GLN 2 N 0.00 3.47 -0.22 -0.52 0.74 -1.26 -5.10 119.66 116.78 2o4p s GLN 2 Ca 0.00 -0.58 -0.05 0.00 0.05 0.00 0.00 55.36 54.78 2o4p s GLN 2 Cb 0.00 -3.09 -0.02 0.00 1.10 0.00 0.00 33.01 31.00 2o4p s GLN 2 CO 0.00 -0.17 -0.00 0.42 -0.55 0.00 0.00 175.29 174.99 2o4p s ILE 3 N 1.45 3.81 0.72 -2.34 1.01 -1.26 -5.10 121.20 119.48 2o4p s ILE 3 Ca 0.05 -0.35 -0.11 0.00 0.00 0.00 0.00 60.65 60.24 2o4p s ILE 3 Cb -0.14 -2.74 0.02 0.00 0.01 0.00 0.00 42.46 39.61 2o4p s ILE 3 CO -0.01 0.41 1.08 0.42 0.00 0.00 0.00 174.94 176.84 2o4p s THR 4 N 1.27 3.68 -0.21 2.92 -4.23 -1.26 -5.00 115.64 112.81 2o4p s THR 4 Ca 0.04 0.55 0.15 0.00 -1.18 0.00 0.00 61.69 61.24 2o4p s THR 4 Cb -0.15 -3.41 0.49 0.00 1.34 0.00 0.00 72.50 70.78 2o4p s THR 4 CO 0.01 -0.71 1.40 0.18 -0.54 0.00 0.00 174.62 174.96 2o4p n LEU 5 N -3.12 3.78 -0.12 4.79 4.77 -1.26 -4.51 117.00 121.33 2o4p n LEU 5 Ca 0.07 -3.26 -0.00 0.00 -0.03 0.00 0.00 56.01 52.78 2o4p n LEU 5 Cb 0.56 -0.56 0.27 0.00 -2.33 0.00 0.00 43.42 41.35 2o4p n LEU 5 CO 0.57 0.86 1.10 -0.50 -1.33 0.00 0.00 177.39 178.09 2o4p h TRP 6 N 1.33 0.79 -2.76 -1.77 4.06 -2.06 -3.44 115.95 112.11 2o4p h TRP 6 Ca 0.07 -0.02 -0.48 0.00 2.06 0.00 0.00 58.89 60.52 2o4p h TRP 6 Cb 1.46 -0.25 -0.14 0.00 -1.00 0.00 0.00 29.16 29.23 2o4p h TRP 6 CO 0.60 0.58 -0.62 0.15 -3.56 0.00 0.00 178.44 175.59 2o4p s LYS 7 N -5.46 1.63 0.13 0.49 1.02 -1.26 -5.10 119.74 111.18 2o4p s LYS 7 Ca -0.10 -1.89 -0.33 0.00 0.02 0.00 0.00 55.97 53.68 2o4p s LYS 7 Cb 0.17 -0.96 -0.13 0.00 -0.52 0.00 0.00 37.83 36.39 2o4p s LYS 7 CO 0.78 -0.13 1.70 0.54 -0.92 0.00 0.00 175.35 177.31 2o4p n ARG 8 N -0.67 2.41 -2.13 1.68 1.74 -1.26 -4.86 116.66 113.57 2o4p n ARG 8 Ca -0.03 0.87 -0.37 0.00 -0.77 0.00 0.00 57.85 57.55 2o4p n ARG 8 Cb 0.66 -2.69 -0.03 0.00 -1.02 0.00 0.00 32.46 29.38 2o4p n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2o4p n PRO 9 N 4.38 2.34 -3.48 5.56 -0.04 -1.26 -4.94 135.00 137.56 2o4p n PRO 9 Ca 0.18 -2.73 -0.37 0.00 -0.04 0.00 0.00 63.50 60.54 2o4p n PRO 9 Cb 0.32 -3.50 -0.07 0.00 -0.04 0.00 0.00 33.50 30.20 2o4p n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2o4p s LEU 10 N 6.34 4.19 0.29 1.53 1.43 -1.26 -1.28 118.68 129.92 2o4p s LEU 10 Ca 0.59 0.48 0.05 0.00 -1.03 0.00 0.00 54.13 54.23 2o4p s LEU 10 Cb 0.04 -2.42 -0.06 0.00 0.03 0.00 0.00 46.19 43.79 2o4p s LEU 10 CO 0.09 0.02 -0.01 0.68 0.23 0.00 0.00 176.35 177.36 2o4p s VAL 11 N 0.88 1.42 -0.10 -1.59 -7.23 0.64 -4.94 120.40 109.48 2o4p s VAL 11 Ca 0.17 -2.07 -0.19 0.00 -1.81 0.00 0.00 61.98 58.09 2o4p s VAL 11 Cb -0.14 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 2o4p s VAL 11 CO 0.06 -0.21 0.50 -0.89 -0.31 0.00 0.00 175.10 174.26 2o4p s THR 12 N -3.15 5.15 0.29 5.32 2.01 -1.26 -0.39 115.64 123.60 2o4p s THR 12 Ca 0.32 1.01 0.11 0.00 0.31 0.00 0.00 61.69 63.44 2o4p s THR 12 Cb 0.06 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 2o4p s THR 12 CO 0.13 0.33 -0.12 0.27 -0.69 0.00 0.00 174.62 174.54 2o4p s ILE 13 N 0.53 2.75 -0.11 1.82 -4.36 0.75 -2.30 121.20 120.28 2o4p s ILE 13 Ca 0.27 -2.21 0.01 0.00 -0.26 0.00 0.00 60.65 58.46 2o4p s ILE 13 Cb -0.16 -2.53 0.02 0.00 1.25 0.00 0.00 42.46 41.04 2o4p s ILE 13 CO 0.12 -0.36 -0.13 -0.75 0.24 0.00 0.00 174.94 174.06 2o4p s LYS 14 N -3.58 1.95 -0.10 0.37 2.20 0.15 -1.06 119.74 119.66 2o4p s LYS 14 Ca 0.31 -0.45 -0.07 0.00 -0.36 0.00 0.00 55.97 55.40 2o4p s LYS 14 Cb -0.04 -1.76 0.04 0.00 -1.51 0.00 0.00 37.83 34.56 2o4p s LYS 14 CO 0.17 -0.13 0.25 -1.50 -0.36 0.00 0.00 175.35 173.78 2o4p s ILE 15 N 1.20 -0.02 -1.65 5.43 2.07 -0.23 -0.93 121.20 127.06 2o4p s ILE 15 Ca -0.03 0.08 -0.16 0.00 -1.41 0.00 0.00 60.65 59.13 2o4p s ILE 15 Cb -0.14 -0.37 0.13 0.00 0.13 0.00 0.00 42.46 42.21 2o4p s ILE 15 CO -0.04 0.03 0.81 0.61 -1.91 0.00 0.00 174.94 174.44 2o4p n GLY 16 N 3.67 -0.44 3.36 1.50 0.00 -1.26 -0.24 105.19 111.77 2o4p n GLY 16 Ca -0.20 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2o4p n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o4p n GLY 17 N -1.50 0.94 3.74 -0.02 0.00 -1.26 -5.01 105.19 102.08 2o4p n GLY 17 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2o4p n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2o4p s GLN 18 N -0.25 3.77 -0.08 1.61 -0.21 0.66 -5.09 119.66 120.07 2o4p s GLN 18 Ca 0.00 -0.25 -0.23 0.00 0.02 0.00 0.00 55.36 54.90 2o4p s GLN 18 Cb 0.00 -3.22 -0.03 0.00 1.00 0.00 0.00 33.01 30.75 2o4p s GLN 18 CO 0.00 0.49 0.69 -0.51 -2.12 0.00 0.00 175.29 173.84 2o4p s LEU 19 N -0.21 4.30 0.04 2.90 1.43 -1.26 -1.07 118.68 124.81 2o4p s LEU 19 Ca 0.09 1.15 0.02 0.00 -1.03 0.00 0.00 54.13 54.36 2o4p s LEU 19 Cb -0.12 -3.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.02 2o4p s LEU 19 CO 0.01 -0.14 -0.07 -0.54 0.23 0.00 0.00 176.35 175.84 2o4p s LYS 20 N 0.93 0.53 0.04 1.70 1.02 -0.23 -4.99 119.74 118.74 2o4p s LYS 20 Ca 0.36 -0.80 -0.23 0.00 0.02 0.00 0.00 55.97 55.32 2o4p s LYS 20 Cb -0.17 -0.22 -0.06 0.00 -0.52 0.00 0.00 37.83 36.86 2o4p s LYS 20 CO 0.17 0.03 0.70 -2.00 -0.92 0.00 0.00 175.35 173.32 2o4p s GLU 21 N -1.82 4.43 0.03 1.68 2.12 -1.26 -0.18 118.70 123.70 2o4p s GLU 21 Ca -0.08 0.94 -0.03 0.00 0.36 0.00 0.00 54.97 56.16 2o4p s GLU 21 Cb -0.08 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.95 2o4p s GLU 21 CO -0.01 0.36 0.03 0.00 -0.54 0.00 0.00 175.26 175.11 2o4p s ALA 22 N -0.27 0.09 -0.26 6.30 0.00 0.47 -4.50 121.76 123.60 2o4p s ALA 22 Ca 0.35 -0.67 -0.16 0.00 0.00 0.00 0.00 51.96 51.48 2o4p s ALA 22 Cb -0.20 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2o4p s ALA 22 CO 0.21 -0.27 0.44 -1.17 0.00 0.00 0.00 175.76 174.97 2o4p s LEU 23 N -2.04 4.05 -0.35 0.00 2.96 0.59 -0.26 118.68 123.64 2o4p s LEU 23 Ca -0.07 0.41 -0.29 0.00 -0.22 0.00 0.00 54.13 53.97 2o4p s LEU 23 Cb -0.02 -2.54 0.00 0.00 0.50 0.00 0.00 46.19 44.13 2o4p s LEU 23 CO -0.04 -0.22 1.36 -0.76 -1.32 0.00 0.00 176.35 175.37 2o4p s LEU 24 N 2.10 3.74 -0.30 -0.68 1.43 -0.40 -0.72 118.68 123.85 2o4p s LEU 24 Ca 0.18 1.04 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 2o4p s LEU 24 Cb -0.16 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.61 2o4p s LEU 24 CO 0.09 -1.25 0.05 -0.62 0.23 0.00 0.00 176.35 174.85 2o4p s ASP 25 N 3.37 4.24 0.51 2.29 -1.08 -0.27 -4.78 116.67 120.96 2o4p s ASP 25 Ca 0.59 -1.71 0.33 0.00 -0.52 0.00 0.00 52.55 51.24 2o4p s ASP 25 Cb -0.15 -1.21 1.40 0.00 -1.46 0.00 0.00 42.92 41.50 2o4p s ASP 25 CO 0.28 -0.36 1.97 0.71 0.52 0.00 0.00 175.17 178.29 2o4p h THR 26 N 6.57 0.00 0.00 1.71 1.35 -1.94 -2.68 112.91 117.93 2o4p h THR 26 Ca -0.11 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 2o4p h THR 26 Cb 1.03 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2o4p h THR 26 CO 0.47 0.00 0.00 1.23 -0.25 0.00 0.00 175.52 176.97 2o4p h GLY 27 N 1.87 0.00 -5.21 5.82 0.00 -1.95 -3.45 103.07 100.16 2o4p h GLY 27 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 2o4p h GLY 27 CO 0.00 0.00 0.36 0.00 0.00 0.00 0.00 176.54 176.90 2o4p s ALA 28 N -3.25 3.46 0.19 3.60 0.00 -1.01 -4.94 121.76 119.80 2o4p s ALA 28 Ca 0.07 0.11 -0.10 0.00 0.00 0.00 0.00 51.96 52.04 2o4p s ALA 28 Cb 0.07 -3.21 0.10 0.00 0.00 0.00 0.00 23.12 20.08 2o4p s ALA 28 CO 0.63 -0.53 1.74 -0.44 0.00 0.00 0.00 175.76 177.15 2o4p h ASP 29 N 7.19 0.95 -2.38 0.00 3.32 -1.88 0.12 116.42 123.73 2o4p h ASP 29 Ca -0.32 -0.18 -0.59 0.00 0.02 0.00 0.00 57.03 55.95 2o4p h ASP 29 Cb 1.15 -0.25 -0.13 0.00 0.22 0.00 0.00 39.33 40.33 2o4p h ASP 29 CO 0.82 0.87 -0.71 -1.81 -1.72 0.00 0.00 179.24 176.69 2o4p s ASP 30 N -6.23 4.05 -0.17 6.45 1.01 -1.26 -2.63 116.67 117.89 2o4p s ASP 30 Ca -0.13 -0.80 -0.20 0.00 0.71 0.00 0.00 52.55 52.13 2o4p s ASP 30 Cb 0.14 -0.57 -0.03 0.00 1.01 0.00 0.00 42.92 43.47 2o4p s ASP 30 CO 0.82 0.04 0.57 -0.89 0.21 0.00 0.00 175.17 175.91 2o4p s THR 31 N -2.27 5.08 -0.06 -1.27 2.01 -1.26 -3.63 115.64 114.24 2o4p s THR 31 Ca 0.29 1.08 0.01 0.00 0.31 0.00 0.00 61.69 63.38 2o4p s THR 31 Cb -0.06 -3.89 0.02 0.00 0.01 0.00 0.00 72.50 68.58 2o4p s THR 31 CO 0.17 0.18 -0.05 0.54 -0.69 0.00 0.00 174.62 174.77 2o4p s VAL 32 N 1.49 0.65 0.08 3.82 0.11 -0.50 -1.23 120.40 124.83 2o4p s VAL 32 Ca 0.27 -0.16 0.08 0.00 -2.93 0.00 0.00 61.98 59.24 2o4p s VAL 32 Cb -0.16 -0.68 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 2o4p s VAL 32 CO 0.11 0.27 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.22 2o4p s LEU 33 N 1.13 2.74 0.82 2.54 1.43 0.67 -0.40 118.68 127.60 2o4p s LEU 33 Ca -0.07 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 52.43 2o4p s LEU 33 Cb -0.14 -1.59 0.07 0.00 0.03 0.00 0.00 46.19 44.56 2o4p s LEU 33 CO -0.01 0.21 1.08 -0.62 0.23 0.00 0.00 176.35 177.24 2o4p n GLU 34 N 1.09 0.13 -1.62 1.70 1.02 -1.26 -1.31 120.64 120.39 2o4p n GLU 34 Ca -0.15 0.12 -0.62 0.00 -0.02 0.00 0.00 57.16 56.48 2o4p n GLU 34 Cb 0.52 -2.34 -0.09 0.00 -0.02 0.00 0.00 31.44 29.52 2o4p n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2o4p n GLU 35 N -2.97 0.14 -3.77 3.49 -0.58 -1.21 -4.61 120.64 111.13 2o4p n GLU 35 Ca 0.13 0.05 -0.08 0.00 -0.42 0.00 0.00 57.16 56.84 2o4p n GLU 35 Cb 0.51 -1.57 -0.02 0.00 -0.57 0.00 0.00 31.44 29.78 2o4p n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2o4p s MET 36 N 1.43 1.67 0.03 3.49 0.23 -1.26 -5.04 119.30 119.86 2o4p s MET 36 Ca 0.97 -0.88 -0.12 0.00 -1.03 0.00 0.00 55.69 54.63 2o4p s MET 36 Cb -1.33 0.60 -0.06 0.00 -1.53 0.00 0.00 34.83 32.52 2o4p s MET 36 CO 0.67 -0.76 0.38 0.45 -2.03 0.00 0.00 175.02 173.73 2o4p s SER 37 N -2.88 6.70 0.08 -1.18 0.15 -1.26 -5.02 113.70 110.28 2o4p s SER 37 Ca 0.09 0.84 0.02 0.00 0.70 0.00 0.00 55.95 57.61 2o4p s SER 37 Cb -0.05 -2.20 -0.03 0.00 -1.71 0.00 0.00 66.02 62.03 2o4p s SER 37 CO 0.03 0.26 -0.08 -0.76 1.20 0.00 0.00 173.24 173.88 2o4p s LEU 38 N -1.49 2.40 0.60 3.45 1.43 -1.26 -4.97 118.68 118.84 2o4p s LEU 38 Ca 0.28 -0.81 -0.13 0.00 -1.03 0.00 0.00 54.13 52.44 2o4p s LEU 38 Cb -0.15 -0.16 -0.04 0.00 0.03 0.00 0.00 46.19 45.86 2o4p s LEU 38 CO 0.15 -0.33 1.03 -2.16 0.23 0.00 0.00 176.35 175.27 2o4p s PRO 39 N -2.83 3.54 0.55 1.29 0.04 -1.26 -4.97 135.00 131.36 2o4p s PRO 39 Ca 0.03 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.98 2o4p s PRO 39 Cb -0.02 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2o4p s PRO 39 CO -0.02 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.82 2o4p n GLY 40 N -2.03 -2.06 3.81 0.56 0.00 -1.26 -4.94 105.19 99.27 2o4p n GLY 40 Ca 0.07 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 2o4p n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2o4p s ARG 41 N -0.10 3.67 0.04 1.61 0.52 -1.26 -5.08 118.95 118.34 2o4p s ARG 41 Ca 0.00 1.15 -0.01 0.00 -0.52 0.00 0.00 55.73 56.36 2o4p s ARG 41 Cb 0.00 -2.09 -0.03 0.00 0.52 0.00 0.00 34.95 33.35 2o4p s ARG 41 CO 0.00 -0.51 -0.03 1.67 0.02 0.00 0.00 175.30 176.45 2o4p s TRP 42 N -2.39 0.41 0.14 -0.53 1.48 -1.26 -4.47 118.94 112.32 2o4p s TRP 42 Ca 0.63 -0.84 0.07 0.00 -1.06 0.00 0.00 56.10 54.90 2o4p s TRP 42 Cb -0.14 -0.30 -0.04 0.00 -1.16 0.00 0.00 33.47 31.83 2o4p s TRP 42 CO 0.30 -0.30 -0.17 -1.59 -4.06 0.00 0.00 176.95 171.13 2o4p s LYS 43 N -2.88 1.16 0.42 3.25 -2.85 -0.69 -4.89 119.74 113.26 2o4p s LYS 43 Ca -0.03 -1.32 -0.23 0.00 -1.00 0.00 0.00 55.97 53.39 2o4p s LYS 43 Cb 0.00 -1.17 -0.09 0.00 -2.06 0.00 0.00 37.83 34.51 2o4p s LYS 43 CO -0.06 0.24 1.05 -1.25 0.10 0.00 0.00 175.35 175.43 2o4p s PRO 44 N -2.66 4.09 0.01 1.78 0.04 -1.26 0.55 135.00 137.54 2o4p s PRO 44 Ca 0.12 1.49 -0.13 0.00 0.04 0.00 0.00 61.00 62.52 2o4p s PRO 44 Cb -0.06 -2.45 0.02 0.00 0.04 0.00 0.00 34.50 32.05 2o4p s PRO 44 CO 0.05 -0.21 0.27 0.21 0.04 0.00 0.00 177.00 177.37 2o4p s LYS 45 N -2.65 0.69 -0.13 4.56 2.20 -0.78 -4.86 119.74 118.76 2o4p s LYS 45 Ca 0.60 -0.36 -0.00 0.00 -0.36 0.00 0.00 55.97 55.84 2o4p s LYS 45 Cb -0.21 0.30 -0.02 0.00 -1.51 0.00 0.00 37.83 36.39 2o4p s LYS 45 CO 0.26 -0.20 -0.12 -1.64 -0.36 0.00 0.00 175.35 173.29 2o4p s MET 46 N -1.83 3.40 -0.00 4.03 -1.94 -1.26 -0.62 119.30 121.08 2o4p s MET 46 Ca -0.10 -0.67 0.06 0.00 -1.71 0.00 0.00 55.69 53.27 2o4p s MET 46 Cb -0.04 -2.66 -0.02 0.00 2.01 0.00 0.00 34.83 34.13 2o4p s MET 46 CO 0.01 0.23 -0.20 0.96 -0.01 0.00 0.00 175.02 176.01 2o4p s ILE 47 N 0.33 1.58 0.04 2.53 -4.36 -0.56 -4.97 121.20 115.80 2o4p s ILE 47 Ca -0.10 -0.94 -0.00 0.00 -0.26 0.00 0.00 60.65 59.36 2o4p s ILE 47 Cb -0.16 -1.33 -0.04 0.00 1.25 0.00 0.00 42.46 42.18 2o4p s ILE 47 CO 0.05 0.38 0.16 -0.83 0.24 0.00 0.00 174.94 174.94 2o4p s GLY 48 N -0.65 2.13 0.00 6.27 0.00 -1.26 -1.08 107.32 112.73 2o4p s GLY 48 Ca 0.08 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.94 2o4p s GLY 48 CO -0.00 -0.80 0.00 0.61 0.00 0.00 0.00 173.10 172.90 2o4p n GLY 49 N 0.60 3.64 3.71 0.20 0.00 -0.35 -4.98 105.19 108.00 2o4p n GLY 49 Ca -0.08 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.70 2o4p n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2o4p s ILE 50 N -1.88 2.86 0.00 -0.61 -1.09 -1.26 -1.96 121.20 117.26 2o4p s ILE 50 Ca 0.00 0.57 0.00 0.00 -2.23 0.00 0.00 60.65 58.99 2o4p s ILE 50 Cb 0.00 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.51 2o4p s ILE 50 CO 0.00 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.36 2o4p n GLY 51 N 3.73 0.16 0.00 6.18 0.00 -1.26 -4.94 105.19 109.06 2o4p n GLY 51 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2o4p n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o4p n GLY 52 N -2.00 0.18 3.70 -0.02 0.00 -0.83 -5.05 105.19 101.18 2o4p n GLY 52 Ca 0.00 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 2o4p n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2o4p s PHE 53 N 0.00 3.03 0.12 1.61 0.40 -1.26 -1.22 117.98 120.67 2o4p s PHE 53 Ca 0.00 0.01 0.07 0.00 -0.60 0.00 0.00 56.93 56.40 2o4p s PHE 53 Cb 0.00 -1.57 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 2o4p s PHE 53 CO 0.00 0.48 -0.16 0.96 0.70 0.00 0.00 175.22 177.20 2o4p s ILE 54 N -1.29 1.46 -0.09 0.64 -4.36 -0.24 -4.97 121.20 112.36 2o4p s ILE 54 Ca 0.25 -1.69 -0.19 0.00 -0.26 0.00 0.00 60.65 58.77 2o4p s ILE 54 Cb -0.12 -1.55 -0.04 0.00 1.25 0.00 0.00 42.46 42.00 2o4p s ILE 54 CO 0.18 -0.32 0.52 -0.75 0.24 0.00 0.00 174.94 174.80 2o4p s LYS 55 N -2.48 4.32 0.27 0.37 2.20 -1.26 -1.49 119.74 121.67 2o4p s LYS 55 Ca 0.09 0.54 0.04 0.00 -0.36 0.00 0.00 55.97 56.27 2o4p s LYS 55 Cb -0.06 -3.41 -0.06 0.00 -1.51 0.00 0.00 37.83 32.79 2o4p s LYS 55 CO 0.04 0.22 0.01 0.14 -0.36 0.00 0.00 175.35 175.40 2o4p s VAL 56 N 0.40 1.14 -0.17 4.02 -7.23 0.20 -4.42 120.40 114.35 2o4p s VAL 56 Ca 0.28 -2.03 -0.06 0.00 -1.81 0.00 0.00 61.98 58.35 2o4p s VAL 56 Cb -0.16 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 2o4p s VAL 56 CO 0.12 -0.20 0.05 -0.13 -0.31 0.00 0.00 175.10 174.63 2o4p s ARG 57 N -3.86 3.83 -0.28 4.82 0.52 0.62 -1.87 118.95 122.72 2o4p s ARG 57 Ca 0.32 -0.36 -0.11 0.00 -0.52 0.00 0.00 55.73 55.06 2o4p s ARG 57 Cb 0.06 -3.14 -0.05 0.00 0.52 0.00 0.00 34.95 32.35 2o4p s ARG 57 CO 0.12 0.33 0.18 -1.14 0.02 0.00 0.00 175.30 174.81 2o4p s GLN 58 N 0.18 3.90 -0.20 3.54 0.74 0.19 -1.37 119.66 126.64 2o4p s GLN 58 Ca 0.04 -0.35 -0.02 0.00 0.05 0.00 0.00 55.36 55.07 2o4p s GLN 58 Cb -0.12 -3.63 -0.00 0.00 1.10 0.00 0.00 33.01 30.36 2o4p s GLN 58 CO 0.01 -0.19 -0.09 0.71 -0.55 0.00 0.00 175.29 175.17 2o4p s TYR 59 N 1.74 2.90 0.41 1.67 1.51 -0.62 -1.71 117.35 123.25 2o4p s TYR 59 Ca 0.07 -1.10 -0.02 0.00 -1.01 0.00 0.00 57.07 55.01 2o4p s TYR 59 Cb -0.16 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.63 2o4p s TYR 59 CO 0.10 -0.59 0.66 -0.51 -1.11 0.00 0.00 175.55 174.10 2o4p s ASP 60 N 1.32 6.22 -1.24 2.29 1.01 -1.26 -0.65 116.67 124.35 2o4p s ASP 60 Ca 0.04 0.61 -0.06 0.00 0.71 0.00 0.00 52.55 53.85 2o4p s ASP 60 Cb -0.14 -2.05 0.01 0.00 1.01 0.00 0.00 42.92 41.74 2o4p s ASP 60 CO -0.05 -0.46 1.07 0.00 0.21 0.00 0.00 175.17 175.94 2o4p n GLN 61 N -2.01 -7.18 -3.73 8.23 6.02 -1.18 -4.92 117.38 112.61 2o4p n GLN 61 Ca -0.02 0.79 -0.36 0.00 -0.01 0.00 0.00 57.00 57.40 2o4p n GLN 61 Cb 0.56 -5.70 -0.07 0.00 1.02 0.00 0.00 30.24 26.05 2o4p n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2o4p s ILE 62 N -3.31 5.41 -0.09 5.09 -1.09 -0.40 -4.81 121.20 122.00 2o4p s ILE 62 Ca 0.39 0.28 -0.19 0.00 -2.23 0.00 0.00 60.65 58.91 2o4p s ILE 62 Cb -0.17 -3.49 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 2o4p s ILE 62 CO 0.69 0.49 0.51 -0.22 -1.23 0.00 0.00 174.94 175.18 2o4p s LEU 63 N -0.12 4.32 0.03 2.97 2.96 -1.26 -1.59 118.68 125.98 2o4p s LEU 63 Ca 0.12 0.91 0.03 0.00 -0.22 0.00 0.00 54.13 54.97 2o4p s LEU 63 Cb -0.12 -2.75 -0.02 0.00 0.50 0.00 0.00 46.19 43.80 2o4p s LEU 63 CO 0.02 0.03 -0.10 -0.51 -1.32 0.00 0.00 176.35 174.47 2o4p s ILE 64 N 0.38 0.75 -0.19 6.68 2.07 0.22 -4.57 121.20 126.54 2o4p s ILE 64 Ca 0.28 -0.78 -0.07 0.00 -1.41 0.00 0.00 60.65 58.67 2o4p s ILE 64 Cb -0.16 -0.70 -0.04 0.00 0.13 0.00 0.00 42.46 41.69 2o4p s ILE 64 CO 0.12 -0.06 0.05 -0.70 -1.91 0.00 0.00 174.94 172.44 2o4p s GLU 65 N -0.93 3.85 -0.25 3.50 -6.30 -0.11 -0.46 118.70 117.99 2o4p s GLU 65 Ca -0.01 -0.41 0.03 0.00 -2.50 0.00 0.00 54.97 52.08 2o4p s GLU 65 Cb -0.07 -3.19 0.06 0.00 0.00 0.00 0.00 34.13 30.93 2o4p s GLU 65 CO 0.00 0.16 -0.11 0.42 0.02 0.00 0.00 175.26 175.75 2o4p s ILE 66 N 0.67 2.09 -1.35 -3.70 1.01 0.63 -0.68 121.20 119.88 2o4p s ILE 66 Ca 0.02 -1.53 -0.14 0.00 0.00 0.00 0.00 60.65 59.01 2o4p s ILE 66 Cb -0.13 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.16 2o4p s ILE 66 CO 0.02 0.02 0.44 0.00 0.00 0.00 0.00 174.94 175.41 2o4p n GLY 68 N -2.15 2.87 3.64 0.00 0.00 -1.26 -4.99 105.19 103.29 2o4p n GLY 68 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 2o4p n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o4p s HIS 69 N -1.69 3.31 0.26 1.61 4.02 0.50 -5.05 115.29 118.24 2o4p s HIS 69 Ca 0.00 0.61 -0.29 0.00 1.02 0.00 0.00 55.06 56.39 2o4p s HIS 69 Cb 0.00 -2.63 -0.09 0.00 -1.02 0.00 0.00 32.58 28.84 2o4p s HIS 69 CO 0.00 -0.17 1.17 0.21 1.02 0.00 0.00 174.74 176.97 2o4p s LYS 70 N 1.87 4.54 -0.10 1.40 2.20 -1.26 -0.27 119.74 128.13 2o4p s LYS 70 Ca 0.20 1.90 -0.09 0.00 -0.36 0.00 0.00 55.97 57.62 2o4p s LYS 70 Cb -0.15 -3.18 0.02 0.00 -1.51 0.00 0.00 37.83 33.01 2o4p s LYS 70 CO 0.09 0.04 0.26 0.00 -0.36 0.00 0.00 175.35 175.38 2o4p s ALA 71 N -0.80 -0.64 0.03 3.13 0.00 0.39 -4.79 121.76 119.08 2o4p s ALA 71 Ca 0.48 0.72 0.09 0.00 0.00 0.00 0.00 51.96 53.24 2o4p s ALA 71 Cb -0.34 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 2o4p s ALA 71 CO 0.42 -0.13 -0.25 -1.50 0.00 0.00 0.00 175.76 174.30 2o4p s ILE 72 N 0.10 2.04 -2.68 0.00 2.07 -1.26 -0.61 121.20 120.86 2o4p s ILE 72 Ca -0.00 -1.29 0.00 0.00 -1.41 0.00 0.00 60.65 57.94 2o4p s ILE 72 Cb -0.02 -1.74 0.00 0.00 0.13 0.00 0.00 42.46 40.84 2o4p s ILE 72 CO 0.00 0.39 0.00 0.61 -1.91 0.00 0.00 174.94 174.03 2o4p n GLY 73 N 1.94 -1.35 3.72 1.50 0.00 -0.62 -4.92 105.19 105.46 2o4p n GLY 73 Ca -0.17 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 2o4p n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2o4p s THR 74 N -2.96 4.56 -0.11 2.61 2.01 -1.26 -1.27 115.64 119.22 2o4p s THR 74 Ca 0.00 1.99 0.02 0.00 0.31 0.00 0.00 61.69 64.01 2o4p s THR 74 Cb 0.00 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.25 2o4p s THR 74 CO 0.00 0.24 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.29 2o4p s VAL 75 N 0.45 1.76 0.01 3.82 1.01 0.17 -4.49 120.40 123.13 2o4p s VAL 75 Ca 0.50 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 2o4p s VAL 75 Cb -0.23 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 2o4p s VAL 75 CO 0.29 0.49 0.22 -0.76 0.00 0.00 0.00 175.10 175.35 2o4p s LEU 76 N 0.78 4.36 -0.06 3.92 1.43 -0.37 -1.59 118.68 127.17 2o4p s LEU 76 Ca -0.10 0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 2o4p s LEU 76 Cb -0.16 -2.68 0.02 0.00 0.03 0.00 0.00 46.19 43.40 2o4p s LEU 76 CO 0.01 0.24 -0.06 -0.69 0.23 0.00 0.00 176.35 176.08 2o4p s VAL 77 N -1.34 0.71 -0.18 -1.59 1.01 -0.47 -0.24 120.40 118.30 2o4p s VAL 77 Ca 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.05 2o4p s VAL 77 Cb -0.13 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.54 2o4p s VAL 77 CO 0.18 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.16 2o4p n GLY 78 N 4.10 -1.14 2.05 4.51 0.00 -0.43 -0.28 105.19 114.01 2o4p n GLY 78 Ca -0.23 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 2o4p n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2o4p n PRO 79 N 0.00 1.80 -2.51 1.61 -0.04 -1.26 -3.36 135.00 131.23 2o4p n PRO 79 Ca 0.00 -0.90 -0.37 0.00 -0.04 0.00 0.00 63.50 62.19 2o4p n PRO 79 Cb 0.00 -1.95 -0.04 0.00 -0.04 0.00 0.00 33.50 31.47 2o4p n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2o4p s THR 80 N 1.21 3.64 -0.63 0.52 -1.32 -1.26 -4.95 115.64 112.85 2o4p s THR 80 Ca 0.60 1.34 0.24 0.00 -1.21 0.00 0.00 61.69 62.66 2o4p s THR 80 Cb 0.29 -3.74 0.25 0.00 -1.51 0.00 0.00 72.50 67.80 2o4p s THR 80 CO -0.00 0.09 1.73 -0.81 -2.21 0.00 0.00 174.62 173.42 2o4p n PRO 81 N 0.21 0.20 -3.76 7.08 -0.04 -1.26 -4.63 135.00 132.80 2o4p n PRO 81 Ca 0.04 0.31 -0.13 0.00 -0.04 0.00 0.00 63.50 63.68 2o4p n PRO 81 Cb 0.48 -1.81 -0.09 0.00 -0.04 0.00 0.00 33.50 32.05 2o4p n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2o4p s VAL 82 N -3.20 0.06 0.10 0.52 0.11 -1.26 -5.07 120.40 111.66 2o4p s VAL 82 Ca 0.07 -0.50 -0.31 0.00 -2.93 0.00 0.00 61.98 58.32 2o4p s VAL 82 Cb 0.11 -0.64 -0.08 0.00 -1.53 0.00 0.00 36.38 34.24 2o4p s VAL 82 CO 0.47 -0.27 1.43 0.20 -3.33 0.00 0.00 175.10 173.60 2o4p s ASN 83 N -1.39 6.78 -0.12 3.54 0.01 -1.26 -4.57 114.94 117.93 2o4p s ASN 83 Ca -0.13 2.34 0.02 0.00 -0.71 0.00 0.00 52.86 54.38 2o4p s ASN 83 Cb -0.05 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.04 2o4p s ASN 83 CO 0.04 -0.70 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.13 2o4p s ILE 84 N 1.41 1.62 -0.32 0.60 1.01 0.46 -0.30 121.20 125.69 2o4p s ILE 84 Ca 0.66 -0.71 -0.19 0.00 0.00 0.00 0.00 60.65 60.41 2o4p s ILE 84 Cb -0.37 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.62 2o4p s ILE 84 CO 0.30 0.47 0.58 -0.63 0.00 0.00 0.00 174.94 175.65 2o4p s ILE 85 N 1.01 4.98 0.34 2.92 -1.09 0.10 -1.41 121.20 128.05 2o4p s ILE 85 Ca -0.05 0.68 0.04 0.00 -2.23 0.00 0.00 60.65 59.09 2o4p s ILE 85 Cb -0.15 -3.97 0.04 0.00 -1.58 0.00 0.00 42.46 36.81 2o4p s ILE 85 CO -0.03 -0.14 0.37 0.61 -1.23 0.00 0.00 174.94 174.52 2o4p n GLY 86 N 4.56 2.40 0.34 6.18 0.00 -1.24 -1.11 105.19 116.31 2o4p n GLY 86 Ca -0.03 -2.22 0.05 0.00 0.00 0.00 0.00 46.02 43.83 2o4p n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2o4p h ARG 87 N 0.00 0.65 -0.72 1.61 3.08 -0.78 -0.95 114.38 117.27 2o4p h ARG 87 Ca -0.19 -0.04 0.15 0.00 0.07 0.00 0.00 59.98 59.98 2o4p h ARG 87 Cb 0.76 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 2o4p h ARG 87 CO 0.28 0.43 0.48 -2.95 -1.07 0.00 0.00 179.97 177.15 2o4p h ASN 88 N 0.67 0.31 0.00 7.04 -1.07 -1.76 -1.27 115.58 119.51 2o4p h ASN 88 Ca 0.24 0.02 -0.38 0.00 0.07 0.00 0.00 56.30 56.25 2o4p h ASN 88 Cb 0.13 -0.04 -0.07 0.00 -2.07 0.00 0.00 38.32 36.26 2o4p h ASN 88 CO -0.07 0.16 -2.42 0.18 0.07 0.00 0.00 177.43 175.35 2o4p n LEU 89 N -4.46 1.34 -0.26 6.14 4.77 -0.94 -4.38 117.00 119.21 2o4p n LEU 89 Ca 0.14 -0.06 0.12 0.00 -0.03 0.00 0.00 56.01 56.18 2o4p n LEU 89 Cb 0.55 -0.13 0.38 0.00 -2.33 0.00 0.00 43.42 41.89 2o4p n LEU 89 CO 0.34 0.70 1.22 -0.07 -1.33 0.00 0.00 177.39 178.24 2o4p h LEU 90 N 0.00 0.65 -1.22 2.23 3.38 -0.99 -1.63 115.31 117.73 2o4p h LEU 90 Ca -0.56 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 2o4p h LEU 90 Cb 2.09 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.72 2o4p h LEU 90 CO -0.02 0.33 0.29 0.71 0.09 0.00 0.00 178.44 179.84 2o4p h THR 91 N 0.69 1.19 0.00 0.22 1.35 -1.45 -1.38 112.91 113.53 2o4p h THR 91 Ca 0.44 -0.53 -0.08 0.00 -0.55 0.00 0.00 66.41 65.69 2o4p h THR 91 Cb 0.69 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 67.53 2o4p h THR 91 CO -0.20 0.22 -0.36 1.56 -0.25 0.00 0.00 175.52 176.50 2o4p h GLN 92 N 0.83 0.00 -0.36 4.72 1.08 -1.50 -1.66 115.11 118.23 2o4p h GLN 92 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2o4p h GLN 92 Cb 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2o4p h GLN 92 CO -0.03 0.36 0.00 0.44 -0.95 0.00 0.00 178.83 178.65 2o4p n ILE 93 N -3.90 0.46 -2.53 2.54 -5.35 -1.14 -4.94 119.36 104.50 2o4p n ILE 93 Ca -0.01 -0.62 -0.08 0.00 -0.27 0.00 0.00 62.75 61.76 2o4p n ILE 93 Cb 0.42 0.66 0.01 0.00 -1.74 0.00 0.00 39.64 38.99 2o4p n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2o4p n GLY 94 N 1.36 0.24 3.72 3.28 0.00 -0.62 -4.99 105.19 108.18 2o4p n GLY 94 Ca 0.18 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 2o4p n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o4p s THR 96 N 0.53 1.19 -0.15 0.00 -4.23 -1.26 -4.71 115.64 107.00 2o4p s THR 96 Ca 0.48 -1.82 -0.12 0.00 -1.18 0.00 0.00 61.69 59.06 2o4p s THR 96 Cb -0.22 -1.60 -0.05 0.00 1.34 0.00 0.00 72.50 71.98 2o4p s THR 96 CO 0.28 -0.56 0.24 -0.76 -0.54 0.00 0.00 174.62 173.27 2o4p s LEU 97 N -2.70 4.28 -0.02 4.79 1.43 -1.26 -5.09 118.68 120.11 2o4p s LEU 97 Ca 0.11 0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 2o4p s LEU 97 Cb -0.02 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.93 2o4p s LEU 97 CO 0.02 0.19 -0.07 0.20 0.23 0.00 0.00 176.35 176.91 2o4p s ASN 98 N 0.08 0.94 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.83 2o4p s ASN 98 Ca 0.15 -0.14 0.00 0.00 -1.57 0.00 0.00 52.86 51.30 2o4p s ASN 98 Cb -0.13 -0.23 0.00 0.00 -0.02 0.00 0.00 41.25 40.88 2o4p s ASN 98 CO 0.03 0.05 0.00 2.22 -2.57 0.00 0.00 177.10 176.83