#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o4s s GLN 2 N 0.00 3.48 -0.21 0.54 0.74 -1.26 -5.10 119.66 117.85 2o4s s GLN 2 Ca 0.00 -0.59 -0.03 0.00 0.05 0.00 0.00 55.36 54.79 2o4s s GLN 2 Cb 0.00 -2.98 -0.00 0.00 1.10 0.00 0.00 33.01 31.12 2o4s s GLN 2 CO 0.00 -0.04 -0.07 0.42 -0.55 0.00 0.00 175.29 175.04 2o4s s ILE 3 N 1.10 3.13 0.75 -2.34 1.01 -1.26 -5.11 121.20 118.48 2o4s s ILE 3 Ca 0.02 -0.58 -0.06 0.00 0.00 0.00 0.00 60.65 60.03 2o4s s ILE 3 Cb -0.15 -2.41 0.11 0.00 0.01 0.00 0.00 42.46 40.02 2o4s s ILE 3 CO 0.00 0.45 1.05 0.42 0.00 0.00 0.00 174.94 176.86 2o4s s THR 4 N 1.37 2.21 -0.12 2.92 -4.23 -1.26 -5.03 115.64 111.51 2o4s s THR 4 Ca 0.05 -0.34 0.17 0.00 -1.18 0.00 0.00 61.69 60.39 2o4s s THR 4 Cb -0.14 -2.87 0.26 0.00 1.34 0.00 0.00 72.50 71.09 2o4s s THR 4 CO -0.04 0.00 1.14 0.18 -0.54 0.00 0.00 174.62 175.35 2o4s n LEU 5 N -3.02 2.24 -0.03 4.79 4.77 -1.26 -4.57 117.00 119.92 2o4s n LEU 5 Ca 0.11 -2.95 0.07 0.00 -0.03 0.00 0.00 56.01 53.22 2o4s n LEU 5 Cb 0.60 -0.39 0.46 0.00 -2.33 0.00 0.00 43.42 41.76 2o4s n LEU 5 CO 0.47 0.68 1.17 -0.50 -1.33 0.00 0.00 177.39 177.89 2o4s h TRP 6 N 0.00 0.47 -2.52 -1.77 4.06 -2.06 -3.44 115.95 110.69 2o4s h TRP 6 Ca 0.00 0.01 -0.51 0.00 2.06 0.00 0.00 58.89 60.45 2o4s h TRP 6 Cb 0.99 -0.16 -0.14 0.00 -1.00 0.00 0.00 29.16 28.85 2o4s h TRP 6 CO 0.00 0.27 -0.66 0.15 -3.56 0.00 0.00 178.44 174.64 2o4s s LYS 7 N -5.44 1.62 0.24 0.49 -0.14 -1.26 -5.11 119.74 110.13 2o4s s LYS 7 Ca -0.08 -1.84 -0.31 0.00 -1.36 0.00 0.00 55.97 52.38 2o4s s LYS 7 Cb 0.18 -1.22 -0.12 0.00 -1.68 0.00 0.00 37.83 35.00 2o4s s LYS 7 CO 0.74 0.02 1.69 0.54 -0.76 0.00 0.00 175.35 177.58 2o4s n ARG 8 N -0.64 2.77 -1.82 1.68 1.74 -1.26 -4.86 116.66 114.27 2o4s n ARG 8 Ca -0.05 1.00 -0.39 0.00 -0.77 0.00 0.00 57.85 57.64 2o4s n ARG 8 Cb 0.64 -2.83 -0.03 0.00 -1.02 0.00 0.00 32.46 29.22 2o4s n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2o4s n PRO 9 N 3.40 2.17 -3.34 5.56 -0.04 -1.26 -4.94 135.00 136.55 2o4s n PRO 9 Ca 0.14 -2.47 -0.38 0.00 -0.04 0.00 0.00 63.50 60.74 2o4s n PRO 9 Cb 0.36 -3.33 -0.06 0.00 -0.04 0.00 0.00 33.50 30.42 2o4s n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2o4s s LEU 10 N 4.63 4.43 0.13 1.53 1.43 -1.26 -1.19 118.68 128.37 2o4s s LEU 10 Ca 0.57 1.04 0.01 0.00 -1.03 0.00 0.00 54.13 54.71 2o4s s LEU 10 Cb 0.08 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 2o4s s LEU 10 CO 0.07 0.19 0.01 0.68 0.23 0.00 0.00 176.35 177.52 2o4s s VAL 11 N -0.47 0.44 0.01 -1.59 -7.23 -0.24 -4.95 120.40 106.37 2o4s s VAL 11 Ca 0.27 -1.93 -0.22 0.00 -1.81 0.00 0.00 61.98 58.29 2o4s s VAL 11 Cb -0.17 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 2o4s s VAL 11 CO 0.15 -0.59 0.65 -0.89 -0.31 0.00 0.00 175.10 174.11 2o4s s THR 12 N -3.81 4.85 0.25 5.32 2.01 -1.26 -1.23 115.64 121.77 2o4s s THR 12 Ca 0.20 1.36 0.11 0.00 0.31 0.00 0.00 61.69 63.68 2o4s s THR 12 Cb 0.07 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.54 2o4s s THR 12 CO 0.00 0.40 -0.16 0.27 -0.69 0.00 0.00 174.62 174.45 2o4s s ILE 13 N -0.17 2.69 -0.13 1.82 -4.36 0.84 -2.45 121.20 119.44 2o4s s ILE 13 Ca 0.33 -2.19 0.02 0.00 -0.26 0.00 0.00 60.65 58.54 2o4s s ILE 13 Cb -0.19 -2.39 0.01 0.00 1.25 0.00 0.00 42.46 41.14 2o4s s ILE 13 CO 0.19 -0.32 -0.18 -0.75 0.24 0.00 0.00 174.94 174.12 2o4s s LYS 14 N -3.34 2.60 -0.16 0.37 2.20 0.22 -1.51 119.74 120.12 2o4s s LYS 14 Ca 0.28 -0.69 -0.11 0.00 -0.36 0.00 0.00 55.97 55.09 2o4s s LYS 14 Cb -0.06 -2.19 0.05 0.00 -1.51 0.00 0.00 37.83 34.12 2o4s s LYS 14 CO 0.15 -0.09 0.40 -1.50 -0.36 0.00 0.00 175.35 173.95 2o4s s ILE 15 N 1.04 -0.02 -1.35 5.43 2.07 -0.07 -1.17 121.20 127.13 2o4s s ILE 15 Ca -0.04 0.07 -0.05 0.00 -1.41 0.00 0.00 60.65 59.22 2o4s s ILE 15 Cb -0.15 -0.59 0.03 0.00 0.13 0.00 0.00 42.46 41.89 2o4s s ILE 15 CO -0.04 0.03 0.40 0.61 -1.91 0.00 0.00 174.94 174.02 2o4s n GLY 16 N 3.83 -0.50 2.24 1.50 0.00 -1.26 -0.58 105.19 110.42 2o4s n GLY 16 Ca -0.20 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2o4s n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o4s n GLY 17 N -1.20 0.50 3.45 -0.02 0.00 -1.26 -5.03 105.19 101.64 2o4s n GLY 17 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 2o4s n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2o4s s GLN 18 N -0.21 2.08 -0.08 1.61 -0.21 0.25 -5.12 119.66 117.98 2o4s s GLN 18 Ca 0.00 -0.97 -0.15 0.00 0.02 0.00 0.00 55.36 54.26 2o4s s GLN 18 Cb 0.00 -2.19 -0.05 0.00 1.00 0.00 0.00 33.01 31.77 2o4s s GLN 18 CO 0.00 0.54 0.39 -0.51 -2.12 0.00 0.00 175.29 173.59 2o4s s LEU 19 N -1.40 4.36 0.09 2.90 1.43 -1.26 -0.89 118.68 123.91 2o4s s LEU 19 Ca 0.14 0.78 -0.05 0.00 -1.03 0.00 0.00 54.13 53.97 2o4s s LEU 19 Cb -0.10 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 2o4s s LEU 19 CO 0.05 0.18 0.11 -0.54 0.23 0.00 0.00 176.35 176.38 2o4s s LYS 20 N -0.20 0.80 -0.14 1.70 1.02 -0.57 -4.99 119.74 117.37 2o4s s LYS 20 Ca 0.22 -1.11 -0.07 0.00 0.02 0.00 0.00 55.97 55.03 2o4s s LYS 20 Cb -0.15 0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.41 2o4s s LYS 20 CO 0.10 -0.23 0.12 -2.00 -0.92 0.00 0.00 175.35 172.42 2o4s s GLU 21 N -3.91 3.58 0.04 1.68 2.12 -1.26 -0.11 118.70 120.85 2o4s s GLU 21 Ca 0.09 -0.19 -0.09 0.00 0.36 0.00 0.00 54.97 55.13 2o4s s GLU 21 Cb 0.06 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.26 2o4s s GLU 21 CO -0.08 0.64 0.18 0.00 -0.54 0.00 0.00 175.26 175.45 2o4s s ALA 22 N -0.63 -0.30 -0.19 6.30 0.00 -0.36 -4.54 121.76 122.05 2o4s s ALA 22 Ca 0.12 -0.35 -0.15 0.00 0.00 0.00 0.00 51.96 51.58 2o4s s ALA 22 Cb -0.12 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 2o4s s ALA 22 CO 0.02 -0.36 0.35 -1.17 0.00 0.00 0.00 175.76 174.60 2o4s s LEU 23 N -2.15 4.19 -0.42 0.00 2.96 0.59 -1.08 118.68 122.77 2o4s s LEU 23 Ca -0.04 0.50 -0.29 0.00 -0.22 0.00 0.00 54.13 54.08 2o4s s LEU 23 Cb -0.01 -2.45 0.01 0.00 0.50 0.00 0.00 46.19 44.25 2o4s s LEU 23 CO -0.04 -0.00 1.31 -0.76 -1.32 0.00 0.00 176.35 175.53 2o4s s LEU 24 N 0.97 3.64 -0.39 -0.68 1.43 -0.34 -0.26 118.68 123.06 2o4s s LEU 24 Ca 0.18 0.76 0.02 0.00 -1.03 0.00 0.00 54.13 54.06 2o4s s LEU 24 Cb -0.14 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.65 2o4s s LEU 24 CO 0.07 -1.33 0.14 -0.62 0.23 0.00 0.00 176.35 174.83 2o4s s ASP 25 N 3.34 4.22 0.48 2.29 2.15 0.01 -4.79 116.67 124.37 2o4s s ASP 25 Ca 0.57 -2.28 0.32 0.00 0.43 0.00 0.00 52.55 51.58 2o4s s ASP 25 Cb -0.12 -1.28 1.41 0.00 -0.30 0.00 0.00 42.92 42.62 2o4s s ASP 25 CO 0.31 -0.34 1.95 0.71 -0.17 0.00 0.00 175.17 177.63 2o4s h THR 26 N 6.06 0.00 -0.17 1.71 1.35 -1.93 -1.76 112.91 118.16 2o4s h THR 26 Ca -0.07 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2o4s h THR 26 Cb 0.97 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 2o4s h THR 26 CO 0.53 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 2o4s n GLY 27 N -0.20 0.10 3.44 5.82 0.00 -1.26 -4.82 105.19 108.27 2o4s n GLY 27 Ca 0.00 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 2o4s n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o4s s ALA 28 N -1.78 2.93 0.24 4.61 0.00 -0.66 -4.99 121.76 122.11 2o4s s ALA 28 Ca 0.28 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.34 2o4s s ALA 28 Cb 0.15 -1.58 0.26 0.00 0.00 0.00 0.00 23.12 21.95 2o4s s ALA 28 CO 0.22 0.05 1.59 -0.44 0.00 0.00 0.00 175.76 177.17 2o4s h ASP 29 N 7.08 0.41 -2.31 0.00 3.32 -1.88 0.16 116.42 123.20 2o4s h ASP 29 Ca -0.33 -0.21 -0.59 0.00 0.02 0.00 0.00 57.03 55.92 2o4s h ASP 29 Cb 1.19 -0.12 -0.14 0.00 0.22 0.00 0.00 39.33 40.48 2o4s h ASP 29 CO 0.61 0.85 -0.75 -1.81 -1.72 0.00 0.00 179.24 176.41 2o4s s ASP 30 N -6.89 3.48 -0.20 6.45 1.01 -1.26 -3.02 116.67 116.24 2o4s s ASP 30 Ca -0.06 -1.04 -0.12 0.00 0.71 0.00 0.00 52.55 52.04 2o4s s ASP 30 Cb 0.12 -0.28 -0.05 0.00 1.01 0.00 0.00 42.92 43.72 2o4s s ASP 30 CO 0.81 0.00 0.24 -0.89 0.21 0.00 0.00 175.17 175.54 2o4s s THR 31 N -2.57 5.32 -0.06 -1.27 2.01 -1.26 -3.32 115.64 114.49 2o4s s THR 31 Ca 0.29 0.39 0.01 0.00 0.31 0.00 0.00 61.69 62.69 2o4s s THR 31 Cb -0.04 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.91 2o4s s THR 31 CO 0.14 0.35 -0.05 0.54 -0.69 0.00 0.00 174.62 174.92 2o4s s VAL 32 N 0.83 0.60 0.12 3.82 0.11 -0.60 -0.80 120.40 124.48 2o4s s VAL 32 Ca 0.12 -0.12 0.09 0.00 -2.93 0.00 0.00 61.98 59.14 2o4s s VAL 32 Cb -0.13 -0.64 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 2o4s s VAL 32 CO 0.04 0.26 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.14 2o4s s LEU 33 N 1.16 2.77 0.89 2.54 1.43 0.37 -0.72 118.68 127.12 2o4s s LEU 33 Ca -0.07 -0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 52.36 2o4s s LEU 33 Cb -0.14 -1.59 0.06 0.00 0.03 0.00 0.00 46.19 44.56 2o4s s LEU 33 CO -0.01 0.17 0.73 -0.62 0.23 0.00 0.00 176.35 176.84 2o4s n GLU 34 N 0.68 -0.18 -1.59 1.70 1.02 -1.26 -1.33 120.64 119.70 2o4s n GLU 34 Ca -0.15 0.01 -0.51 0.00 -0.02 0.00 0.00 57.16 56.49 2o4s n GLU 34 Cb 0.53 -2.07 -0.06 0.00 -0.02 0.00 0.00 31.44 29.82 2o4s n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2o4s n GLU 35 N -2.43 1.14 -3.67 3.49 -0.58 -1.23 -4.57 120.64 112.79 2o4s n GLU 35 Ca 0.09 0.41 -0.06 0.00 -0.42 0.00 0.00 57.16 57.18 2o4s n GLU 35 Cb 0.52 -2.01 -0.02 0.00 -0.57 0.00 0.00 31.44 29.36 2o4s n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2o4s s MET 36 N 0.27 1.17 0.05 3.49 0.23 -1.26 -5.03 119.30 118.22 2o4s s MET 36 Ca 0.82 -0.58 -0.16 0.00 -1.03 0.00 0.00 55.69 54.73 2o4s s MET 36 Cb -0.93 0.44 -0.06 0.00 -1.53 0.00 0.00 34.83 32.75 2o4s s MET 36 CO 0.48 -0.53 0.49 -1.12 -2.03 0.00 0.00 175.02 172.31 2o4s s SER 37 N -2.80 6.91 0.05 -1.18 0.01 -1.26 -5.02 113.70 110.42 2o4s s SER 37 Ca 0.09 1.09 0.01 0.00 1.31 0.00 0.00 55.95 58.46 2o4s s SER 37 Cb -0.02 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 2o4s s SER 37 CO -0.02 0.27 -0.06 -0.76 0.41 0.00 0.00 173.24 173.08 2o4s s LEU 38 N -1.25 2.35 0.54 2.44 1.43 -1.26 -4.94 118.68 117.99 2o4s s LEU 38 Ca 0.28 -0.71 -0.15 0.00 -1.03 0.00 0.00 54.13 52.52 2o4s s LEU 38 Cb -0.17 -0.06 -0.07 0.00 0.03 0.00 0.00 46.19 45.92 2o4s s LEU 38 CO 0.17 -0.33 0.98 -2.16 0.23 0.00 0.00 176.35 175.23 2o4s s PRO 39 N -2.42 3.84 0.42 1.29 0.04 -1.26 -4.97 135.00 131.95 2o4s s PRO 39 Ca -0.03 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.87 2o4s s PRO 39 Cb -0.04 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2o4s s PRO 39 CO -0.02 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.09 2o4s n GLY 40 N -1.88 -1.84 3.86 0.56 0.00 -1.26 -4.96 105.19 99.66 2o4s n GLY 40 Ca 0.06 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 2o4s n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2o4s s ARG 41 N 0.00 3.86 0.11 1.61 1.81 -1.26 -5.09 118.95 119.98 2o4s s ARG 41 Ca 0.00 0.76 -0.09 0.00 -1.72 0.00 0.00 55.73 54.67 2o4s s ARG 41 Cb 0.00 -2.22 -0.00 0.00 -0.45 0.00 0.00 34.95 32.27 2o4s s ARG 41 CO 0.00 -0.21 0.22 1.67 -0.68 0.00 0.00 175.30 176.30 2o4s s TRP 42 N -2.58 0.18 0.04 -0.53 1.48 -1.26 -4.41 118.94 111.86 2o4s s TRP 42 Ca 0.56 -0.59 0.03 0.00 -1.06 0.00 0.00 56.10 55.03 2o4s s TRP 42 Cb -0.10 -0.04 -0.02 0.00 -1.16 0.00 0.00 33.47 32.15 2o4s s TRP 42 CO 0.33 -0.59 -0.09 -1.59 -4.06 0.00 0.00 176.95 170.96 2o4s s LYS 43 N -3.88 0.58 0.60 3.25 -2.85 -0.90 -4.92 119.74 111.62 2o4s s LYS 43 Ca 0.07 -0.75 -0.16 0.00 -1.00 0.00 0.00 55.97 54.14 2o4s s LYS 43 Cb 0.04 -0.40 -0.03 0.00 -2.06 0.00 0.00 37.83 35.38 2o4s s LYS 43 CO -0.09 0.08 1.06 -1.25 0.10 0.00 0.00 175.35 175.25 2o4s s PRO 44 N -1.48 3.30 -0.03 1.78 0.04 -1.26 -0.66 135.00 136.69 2o4s s PRO 44 Ca -0.08 1.20 -0.15 0.00 0.04 0.00 0.00 61.00 62.01 2o4s s PRO 44 Cb -0.09 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.44 2o4s s PRO 44 CO 0.01 -0.82 0.33 0.21 0.04 0.00 0.00 177.00 176.76 2o4s s LYS 45 N -4.11 0.64 -0.15 4.56 2.20 -0.43 -4.84 119.74 117.61 2o4s s LYS 45 Ca 0.63 -0.07 -0.04 0.00 -0.36 0.00 0.00 55.97 56.13 2o4s s LYS 45 Cb -0.16 0.29 -0.03 0.00 -1.51 0.00 0.00 37.83 36.42 2o4s s LYS 45 CO 0.38 -0.17 -0.01 -1.64 -0.36 0.00 0.00 175.35 173.55 2o4s s MET 46 N -1.09 3.66 -0.00 4.03 -1.94 -1.26 -0.63 119.30 122.07 2o4s s MET 46 Ca -0.11 -0.47 0.03 0.00 -1.71 0.00 0.00 55.69 53.43 2o4s s MET 46 Cb -0.05 -2.96 -0.01 0.00 2.01 0.00 0.00 34.83 33.82 2o4s s MET 46 CO 0.04 0.31 -0.11 0.96 -0.01 0.00 0.00 175.02 176.21 2o4s s ILE 47 N 0.21 0.86 -0.12 2.53 -4.36 -0.73 -4.94 121.20 114.64 2o4s s ILE 47 Ca -0.01 -0.54 -0.02 0.00 -0.26 0.00 0.00 60.65 59.83 2o4s s ILE 47 Cb -0.13 -0.73 -0.03 0.00 1.25 0.00 0.00 42.46 42.82 2o4s s ILE 47 CO 0.02 0.19 -0.05 -0.83 0.24 0.00 0.00 174.94 174.51 2o4s s GLY 48 N -0.40 1.71 0.00 6.27 0.00 -1.26 -1.15 107.32 112.49 2o4s s GLY 48 Ca 0.03 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.91 2o4s s GLY 48 CO -0.00 -0.33 0.00 0.61 0.00 0.00 0.00 173.10 173.38 2o4s n GLY 49 N 2.95 6.06 0.27 0.20 0.00 0.72 -4.98 105.19 110.41 2o4s n GLY 49 Ca -0.18 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.78 2o4s n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2o4s h ILE 50 N 0.46 0.90 -0.01 -0.61 6.09 -2.02 -2.95 117.51 119.37 2o4s h ILE 50 Ca 0.00 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.27 2o4s h ILE 50 Cb 0.00 0.20 0.00 0.00 0.47 0.00 0.00 36.82 37.49 2o4s h ILE 50 CO 0.00 0.12 -0.03 0.61 -3.07 0.00 0.00 178.15 175.78 2o4s n GLY 51 N -1.30 -0.16 0.00 8.18 0.00 -1.26 -5.04 105.19 105.61 2o4s n GLY 51 Ca 0.10 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2o4s n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2o4s n GLY 52 N 1.18 0.65 3.94 -0.02 0.00 -1.11 -5.12 105.19 104.70 2o4s n GLY 52 Ca 0.19 -1.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.05 2o4s n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2o4s s PHE 53 N -1.78 2.58 -0.05 1.61 0.40 -1.26 -0.20 117.98 119.28 2o4s s PHE 53 Ca 0.00 -0.50 -0.17 0.00 -0.60 0.00 0.00 56.93 55.66 2o4s s PHE 53 Cb 0.00 -2.24 0.03 0.00 0.51 0.00 0.00 43.02 41.32 2o4s s PHE 53 CO 0.00 -0.35 0.39 0.96 0.70 0.00 0.00 175.22 176.93 2o4s s ILE 54 N -2.46 0.04 0.05 0.64 -4.36 -0.30 -4.94 121.20 109.87 2o4s s ILE 54 Ca 0.51 -0.29 -0.25 0.00 -0.26 0.00 0.00 60.65 60.36 2o4s s ILE 54 Cb -0.06 -0.67 -0.06 0.00 1.25 0.00 0.00 42.46 42.92 2o4s s ILE 54 CO 0.30 -0.16 0.76 -0.75 0.24 0.00 0.00 174.94 175.33 2o4s s LYS 55 N -0.96 4.49 0.20 0.37 2.20 -1.26 -1.78 119.74 123.00 2o4s s LYS 55 Ca -0.10 1.05 0.02 0.00 -0.36 0.00 0.00 55.97 56.58 2o4s s LYS 55 Cb -0.04 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.88 2o4s s LYS 55 CO 0.04 0.32 0.03 0.14 -0.36 0.00 0.00 175.35 175.52 2o4s s VAL 56 N -0.17 0.70 -0.17 4.02 -7.23 0.20 -4.43 120.40 113.32 2o4s s VAL 56 Ca 0.38 -1.99 -0.06 0.00 -1.81 0.00 0.00 61.98 58.49 2o4s s VAL 56 Cb -0.21 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 2o4s s VAL 56 CO 0.23 -0.32 0.04 -0.13 -0.31 0.00 0.00 175.10 174.60 2o4s s ARG 57 N -3.94 3.85 -0.32 4.82 0.52 0.12 -1.32 118.95 122.69 2o4s s ARG 57 Ca 0.28 -0.38 -0.13 0.00 -0.52 0.00 0.00 55.73 54.98 2o4s s ARG 57 Cb 0.06 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 32.38 2o4s s ARG 57 CO 0.07 0.30 0.25 -1.14 0.02 0.00 0.00 175.30 174.80 2o4s s GLN 58 N 0.28 3.69 -0.17 3.54 0.74 0.17 -0.78 119.66 127.13 2o4s s GLN 58 Ca 0.02 -0.45 -0.05 0.00 0.05 0.00 0.00 55.36 54.93 2o4s s GLN 58 Cb -0.13 -3.75 -0.03 0.00 1.10 0.00 0.00 33.01 30.21 2o4s s GLN 58 CO 0.01 -0.36 -0.01 0.71 -0.55 0.00 0.00 175.29 175.09 2o4s s TYR 59 N 1.81 3.06 0.18 1.67 1.51 -0.32 -2.11 117.35 123.15 2o4s s TYR 59 Ca 0.08 -0.28 0.02 0.00 -1.01 0.00 0.00 57.07 55.87 2o4s s TYR 59 Cb -0.17 -2.01 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 2o4s s TYR 59 CO 0.11 -0.06 0.33 -0.51 -1.11 0.00 0.00 175.55 174.31 2o4s s ASP 60 N 0.53 6.35 -1.23 2.29 1.01 -1.26 -0.42 116.67 123.94 2o4s s ASP 60 Ca -0.02 0.24 -0.00 0.00 0.71 0.00 0.00 52.55 53.48 2o4s s ASP 60 Cb -0.14 -1.94 0.00 0.00 1.01 0.00 0.00 42.92 41.85 2o4s s ASP 60 CO 0.02 -0.00 0.93 0.00 0.21 0.00 0.00 175.17 176.34 2o4s n GLN 61 N -0.70 -6.25 -3.74 8.23 6.02 -1.17 -4.92 117.38 114.85 2o4s n GLN 61 Ca -0.06 0.79 -0.35 0.00 -0.01 0.00 0.00 57.00 57.37 2o4s n GLN 61 Cb 0.54 -5.71 -0.08 0.00 1.02 0.00 0.00 30.24 26.02 2o4s n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2o4s s ILE 62 N -3.43 5.41 0.14 5.09 -1.09 -0.17 -4.83 121.20 122.31 2o4s s ILE 62 Ca 0.01 0.19 -0.30 0.00 -2.23 0.00 0.00 60.65 58.32 2o4s s ILE 62 Cb -0.01 -3.46 -0.07 0.00 -1.58 0.00 0.00 42.46 37.34 2o4s s ILE 62 CO 0.75 0.45 1.06 -0.76 -1.23 0.00 0.00 174.94 175.21 2o4s s LEU 63 N 0.32 4.48 0.03 2.97 1.43 -1.26 -1.88 118.68 124.77 2o4s s LEU 63 Ca 0.08 1.98 -0.00 0.00 -1.03 0.00 0.00 54.13 55.16 2o4s s LEU 63 Cb -0.11 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 2o4s s LEU 63 CO -0.02 -0.20 -0.03 -0.63 0.23 0.00 0.00 176.35 175.71 2o4s s ILE 64 N -0.03 0.15 -0.11 -0.59 1.01 -0.26 -4.47 121.20 116.89 2o4s s ILE 64 Ca 0.49 -1.16 0.02 0.00 0.00 0.00 0.00 60.65 60.01 2o4s s ILE 64 Cb -0.27 -0.61 0.01 0.00 0.01 0.00 0.00 42.46 41.60 2o4s s ILE 64 CO 0.33 -0.63 -0.18 -0.70 0.00 0.00 0.00 174.94 173.75 2o4s s GLU 65 N -2.13 2.47 -0.20 2.79 2.12 -0.32 -0.95 118.70 122.48 2o4s s GLU 65 Ca -0.10 -0.66 0.01 0.00 0.36 0.00 0.00 54.97 54.58 2o4s s GLU 65 Cb -0.05 -2.02 0.04 0.00 0.26 0.00 0.00 34.13 32.36 2o4s s GLU 65 CO -0.03 -0.00 -0.10 0.42 -0.54 0.00 0.00 175.26 175.00 2o4s s ILE 66 N 0.81 1.62 -1.63 -3.70 1.01 0.47 -0.61 121.20 119.17 2o4s s ILE 66 Ca -0.10 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 59.41 2o4s s ILE 66 Cb -0.16 -1.70 0.12 0.00 0.01 0.00 0.00 42.46 40.74 2o4s s ILE 66 CO 0.01 0.18 0.85 0.00 0.00 0.00 0.00 174.94 175.98 2o4s n GLY 68 N -1.53 0.85 3.50 0.00 0.00 -1.26 -5.01 105.19 101.74 2o4s n GLY 68 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2o4s n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o4s s HIS 69 N -3.47 3.13 0.27 1.61 4.02 0.43 -5.09 115.29 116.18 2o4s s HIS 69 Ca 0.00 -0.25 -0.25 0.00 1.02 0.00 0.00 55.06 55.58 2o4s s HIS 69 Cb 0.00 -2.22 -0.09 0.00 -1.02 0.00 0.00 32.58 29.25 2o4s s HIS 69 CO 0.00 -0.23 0.87 0.15 1.02 0.00 0.00 174.74 176.55 2o4s s LYS 70 N 1.38 4.53 -0.28 1.40 1.02 -1.26 -0.40 119.74 126.14 2o4s s LYS 70 Ca 0.05 1.21 -0.20 0.00 0.02 0.00 0.00 55.97 57.05 2o4s s LYS 70 Cb -0.15 -2.93 0.09 0.00 -0.52 0.00 0.00 37.83 34.32 2o4s s LYS 70 CO 0.04 0.37 0.78 0.00 -0.92 0.00 0.00 175.35 175.62 2o4s s ALA 71 N -1.49 -1.90 -0.08 5.17 0.00 -0.13 -4.80 121.76 118.54 2o4s s ALA 71 Ca 0.46 2.19 -0.01 0.00 0.00 0.00 0.00 51.96 54.60 2o4s s ALA 71 Cb -0.20 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 2o4s s ALA 71 CO 0.24 -0.34 -0.03 0.42 0.00 0.00 0.00 175.76 176.05 2o4s s ILE 72 N 0.98 4.03 -0.19 0.00 -1.09 -1.26 -1.10 121.20 122.56 2o4s s ILE 72 Ca -0.05 -0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.01 2o4s s ILE 72 Cb -0.05 -2.67 0.00 0.00 -1.58 0.00 0.00 42.46 38.16 2o4s s ILE 72 CO -0.10 0.60 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 2o4s n GLY 73 N 2.17 -1.14 3.73 6.18 0.00 -0.79 -4.91 105.19 110.43 2o4s n GLY 73 Ca -0.18 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 2o4s n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2o4s s THR 74 N -3.00 4.23 -0.08 2.61 2.01 -1.26 -1.00 115.64 119.14 2o4s s THR 74 Ca 0.00 1.87 0.02 0.00 0.31 0.00 0.00 61.69 63.89 2o4s s THR 74 Cb 0.00 -4.19 0.01 0.00 0.01 0.00 0.00 72.50 68.33 2o4s s THR 74 CO 0.00 0.29 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.38 2o4s s VAL 75 N -0.04 1.42 0.04 3.82 1.01 0.45 -4.47 120.40 122.63 2o4s s VAL 75 Ca 0.48 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 2o4s s VAL 75 Cb -0.26 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 2o4s s VAL 75 CO 0.32 0.42 0.35 -0.76 0.00 0.00 0.00 175.10 175.42 2o4s s LEU 76 N 0.70 4.37 -0.05 3.92 1.43 0.02 -1.17 118.68 127.88 2o4s s LEU 76 Ca -0.13 0.71 0.02 0.00 -1.03 0.00 0.00 54.13 53.69 2o4s s LEU 76 Cb -0.16 -2.82 0.02 0.00 0.03 0.00 0.00 46.19 43.26 2o4s s LEU 76 CO 0.03 0.22 -0.08 -0.69 0.23 0.00 0.00 176.35 176.07 2o4s s VAL 77 N -1.33 0.78 -1.58 -1.59 1.01 0.04 -0.48 120.40 117.25 2o4s s VAL 77 Ca 0.30 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2o4s s VAL 77 Cb -0.14 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.48 2o4s s VAL 77 CO 0.17 0.28 0.00 0.61 0.00 0.00 0.00 175.10 176.15 2o4s n GLY 78 N 3.95 -1.01 2.13 4.51 0.00 -0.44 -0.70 105.19 113.63 2o4s n GLY 78 Ca -0.24 -0.87 -0.21 0.00 0.00 0.00 0.00 46.02 44.70 2o4s n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2o4s n PRO 79 N 0.00 2.53 -2.36 1.61 -0.04 -1.26 -3.50 135.00 131.98 2o4s n PRO 79 Ca 0.00 -1.47 -0.40 0.00 -0.04 0.00 0.00 63.50 61.60 2o4s n PRO 79 Cb 0.00 -2.23 -0.03 0.00 -0.04 0.00 0.00 33.50 31.20 2o4s n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2o4s s THR 80 N 1.00 3.26 0.23 0.52 -1.32 -1.26 -4.95 115.64 113.12 2o4s s THR 80 Ca 0.67 1.19 0.29 0.00 -1.21 0.00 0.00 61.69 62.63 2o4s s THR 80 Cb 0.29 -3.73 0.30 0.00 -1.51 0.00 0.00 72.50 67.85 2o4s s THR 80 CO -0.03 0.23 1.97 -0.65 -2.21 0.00 0.00 174.62 173.92 2o4s h PRO 81 N 3.34 0.00 -3.45 7.08 0.11 -1.98 -3.43 132.00 133.66 2o4s h PRO 81 Ca -0.48 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 2o4s h PRO 81 Cb 1.22 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.10 2o4s h PRO 81 CO 0.65 0.12 -0.50 0.54 -0.21 0.00 0.00 178.00 178.60 2o4s s VAL 82 N -3.82 0.06 0.10 3.15 0.11 -1.26 -5.08 120.40 113.65 2o4s s VAL 82 Ca -0.00 -0.46 -0.31 0.00 -2.93 0.00 0.00 61.98 58.28 2o4s s VAL 82 Cb 0.11 -0.36 -0.07 0.00 -1.53 0.00 0.00 36.38 34.52 2o4s s VAL 82 CO 0.58 -0.25 1.35 0.20 -3.33 0.00 0.00 175.10 173.66 2o4s s ASN 83 N -0.88 6.87 -0.13 3.54 0.01 -1.26 -4.71 114.94 118.38 2o4s s ASN 83 Ca -0.10 2.26 0.01 0.00 -0.71 0.00 0.00 52.86 54.33 2o4s s ASN 83 Cb -0.05 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.04 2o4s s ASN 83 CO 0.01 -0.62 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.19 2o4s s ILE 84 N 1.13 1.63 -0.41 0.60 1.01 0.10 -0.30 121.20 124.96 2o4s s ILE 84 Ca 0.63 -0.70 -0.17 0.00 0.00 0.00 0.00 60.65 60.41 2o4s s ILE 84 Cb -0.35 -1.49 0.01 0.00 0.01 0.00 0.00 42.46 40.64 2o4s s ILE 84 CO 0.30 0.47 0.44 -0.63 0.00 0.00 0.00 174.94 175.52 2o4s s ILE 85 N 1.11 5.08 0.61 2.92 -1.09 0.64 -1.56 121.20 128.91 2o4s s ILE 85 Ca -0.03 -0.22 0.05 0.00 -2.23 0.00 0.00 60.65 58.21 2o4s s ILE 85 Cb -0.14 -4.01 0.11 0.00 -1.58 0.00 0.00 42.46 36.84 2o4s s ILE 85 CO -0.04 -0.37 0.84 0.61 -1.23 0.00 0.00 174.94 174.75 2o4s n GLY 86 N 5.06 1.32 0.26 6.18 0.00 -1.21 -0.81 105.19 115.99 2o4s n GLY 86 Ca -0.07 -2.13 0.10 0.00 0.00 0.00 0.00 46.02 43.93 2o4s n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2o4s h ARG 87 N 0.00 0.00 -0.01 1.61 3.08 -0.75 -1.28 114.38 117.04 2o4s h ARG 87 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2o4s h ARG 87 Cb 1.16 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 2o4s h ARG 87 CO 0.35 0.06 0.01 -2.95 -1.07 0.00 0.00 179.97 176.37 2o4s h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.80 -1.30 115.58 118.46 2o4s h ASN 88 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.22 2o4s h ASN 88 Cb 0.13 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.36 2o4s h ASN 88 CO 0.01 0.00 -1.91 0.18 0.07 0.00 0.00 177.43 175.78 2o4s n LEU 89 N -4.21 0.00 -0.25 6.14 4.77 -0.76 -4.43 117.00 118.26 2o4s n LEU 89 Ca -0.03 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.94 2o4s n LEU 89 Cb 0.09 0.20 0.18 0.00 -2.33 0.00 0.00 43.42 41.56 2o4s n LEU 89 CO 0.31 0.20 1.19 -0.07 -1.33 0.00 0.00 177.39 177.69 2o4s h LEU 90 N 0.00 0.96 -1.22 2.23 3.38 -0.79 -1.53 115.31 118.34 2o4s h LEU 90 Ca -0.22 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.71 2o4s h LEU 90 Cb 1.38 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 2o4s h LEU 90 CO 0.01 0.75 0.53 0.71 0.09 0.00 0.00 178.44 180.53 2o4s h THR 91 N 1.09 1.18 0.00 0.22 1.35 -1.47 -1.55 112.91 113.73 2o4s h THR 91 Ca 0.28 -0.36 -0.10 0.00 -0.55 0.00 0.00 66.41 65.68 2o4s h THR 91 Cb -0.02 0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 66.41 2o4s h THR 91 CO -0.05 0.19 -0.48 1.56 -0.25 0.00 0.00 175.52 176.49 2o4s h GLN 92 N 1.06 0.00 -0.18 4.72 1.08 -1.49 -1.55 115.11 118.75 2o4s h GLN 92 Ca 0.30 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 2o4s h GLN 92 Cb -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 2o4s h GLN 92 CO -0.07 0.48 0.00 0.44 -0.95 0.00 0.00 178.83 178.73 2o4s n ILE 93 N -3.79 0.22 -2.27 2.54 -5.35 -1.12 -4.94 119.36 104.66 2o4s n ILE 93 Ca -0.01 -0.43 -0.05 0.00 -0.27 0.00 0.00 62.75 61.99 2o4s n ILE 93 Cb 0.53 0.62 0.00 0.00 -1.74 0.00 0.00 39.64 39.05 2o4s n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2o4s n GLY 94 N 1.24 0.29 3.76 3.28 0.00 -0.58 -5.01 105.19 108.16 2o4s n GLY 94 Ca 0.17 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 2o4s n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2o4s s THR 96 N -0.59 0.18 -0.01 0.00 -4.23 -1.26 -4.75 115.64 104.98 2o4s s THR 96 Ca 0.53 -1.52 -0.13 0.00 -1.18 0.00 0.00 61.69 59.39 2o4s s THR 96 Cb -0.40 -1.22 -0.05 0.00 1.34 0.00 0.00 72.50 72.17 2o4s s THR 96 CO 0.47 -0.84 0.37 -0.76 -0.54 0.00 0.00 174.62 173.33 2o4s s LEU 97 N -2.58 4.46 -0.02 4.79 1.43 -1.26 -5.10 118.68 120.41 2o4s s LEU 97 Ca 0.02 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 2o4s s LEU 97 Cb 0.04 -2.53 0.03 0.00 0.03 0.00 0.00 46.19 43.76 2o4s s LEU 97 CO -0.08 0.33 0.03 0.20 0.23 0.00 0.00 176.35 177.06 2o4s s ASN 98 N -1.10 0.08 0.00 2.29 0.01 -1.26 -5.29 114.94 109.67 2o4s s ASN 98 Ca 0.23 0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.41 2o4s s ASN 98 Cb -0.16 -0.07 0.00 0.00 0.41 0.00 0.00 41.25 41.43 2o4s s ASN 98 CO 0.12 -0.12 0.00 2.22 -1.51 0.00 0.00 177.10 177.81