#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a2o s GLN 2 N 0.00 3.81 -0.25 0.54 0.74 -1.26 -5.08 119.66 118.16 3a2o s GLN 2 Ca 0.00 -0.40 -0.05 0.00 0.05 0.00 0.00 55.36 54.97 3a2o s GLN 2 Cb 0.00 -3.48 -0.00 0.00 1.10 0.00 0.00 33.01 30.63 3a2o s GLN 2 CO 0.00 -0.17 0.01 0.42 -0.55 0.00 0.00 175.29 175.00 3a2o s ILE 3 N 1.64 3.61 0.86 -2.34 1.01 -1.26 -5.10 121.20 119.61 3a2o s ILE 3 Ca 0.07 -0.58 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 3a2o s ILE 3 Cb -0.15 -2.74 0.11 0.00 0.01 0.00 0.00 42.46 39.68 3a2o s ILE 3 CO 0.07 0.28 1.13 0.42 0.00 0.00 0.00 174.94 176.84 3a2o s THR 4 N 1.48 2.30 -0.14 2.92 -4.23 -1.26 -5.01 115.64 111.71 3a2o s THR 4 Ca 0.04 0.10 0.18 0.00 -1.18 0.00 0.00 61.69 60.83 3a2o s THR 4 Cb -0.16 -2.91 0.31 0.00 1.34 0.00 0.00 72.50 71.09 3a2o s THR 4 CO -0.01 -0.13 1.18 0.18 -0.54 0.00 0.00 174.62 175.30 3a2o n LEU 5 N -3.57 2.53 0.09 4.79 4.77 -1.26 -4.63 117.00 119.72 3a2o n LEU 5 Ca 0.07 -3.02 0.04 0.00 -0.03 0.00 0.00 56.01 53.06 3a2o n LEU 5 Cb 0.59 -0.42 0.44 0.00 -2.33 0.00 0.00 43.42 41.69 3a2o n LEU 5 CO 0.57 0.70 1.02 -0.50 -1.33 0.00 0.00 177.39 177.84 3a2o h TRP 6 N 0.24 0.32 -2.82 -1.77 4.06 -2.06 -3.44 115.95 110.49 3a2o h TRP 6 Ca 0.00 -0.01 -0.48 0.00 2.06 0.00 0.00 58.89 60.46 3a2o h TRP 6 Cb 1.03 -0.10 -0.14 0.00 -1.00 0.00 0.00 29.16 28.95 3a2o h TRP 6 CO 0.06 0.31 -0.60 0.15 -3.56 0.00 0.00 178.44 174.80 3a2o s LYS 7 N -5.07 1.68 0.27 0.49 -0.14 -1.26 -5.11 119.74 110.60 3a2o s LYS 7 Ca -0.07 -1.94 -0.31 0.00 -1.36 0.00 0.00 55.97 52.29 3a2o s LYS 7 Cb 0.16 -0.83 -0.12 0.00 -1.68 0.00 0.00 37.83 35.37 3a2o s LYS 7 CO 0.72 -0.22 1.58 0.54 -0.76 0.00 0.00 175.35 177.21 3a2o n ARG 8 N -0.71 2.57 -2.58 1.68 1.74 -1.26 -4.86 116.66 113.24 3a2o n ARG 8 Ca -0.03 0.92 -0.43 0.00 -0.77 0.00 0.00 57.85 57.54 3a2o n ARG 8 Cb 0.66 -2.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.42 3a2o n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3a2o n PRO 9 N 2.42 3.22 -3.40 5.56 -0.04 -1.26 -4.95 135.00 136.55 3a2o n PRO 9 Ca 0.10 -3.35 -0.38 0.00 -0.04 0.00 0.00 63.50 59.83 3a2o n PRO 9 Cb 0.35 -3.36 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 3a2o n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3a2o s LEU 10 N 3.34 4.48 0.16 1.53 1.43 -1.26 -1.15 118.68 127.22 3a2o s LEU 10 Ca 0.51 1.10 0.00 0.00 -1.03 0.00 0.00 54.13 54.70 3a2o s LEU 10 Cb 0.04 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 3a2o s LEU 10 CO 0.05 0.28 0.03 0.68 0.23 0.00 0.00 176.35 177.62 3a2o s VAL 11 N -1.13 0.38 -0.01 -1.59 -7.23 -0.03 -4.96 120.40 105.83 3a2o s VAL 11 Ca 0.27 -1.95 -0.19 0.00 -1.81 0.00 0.00 61.98 58.31 3a2o s VAL 11 Cb -0.18 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.60 3a2o s VAL 11 CO 0.16 -0.45 0.54 -0.89 -0.31 0.00 0.00 175.10 174.16 3a2o s THR 12 N -3.86 4.95 0.21 5.32 2.01 -1.26 -0.85 115.64 122.15 3a2o s THR 12 Ca 0.25 1.12 0.11 0.00 0.31 0.00 0.00 61.69 63.48 3a2o s THR 12 Cb 0.07 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 3a2o s THR 12 CO 0.03 0.45 -0.21 0.27 -0.69 0.00 0.00 174.62 174.47 3a2o s ILE 13 N -0.35 2.23 -0.16 1.82 -4.36 0.45 -4.36 121.20 116.48 3a2o s ILE 13 Ca 0.29 -2.09 0.01 0.00 -0.26 0.00 0.00 60.65 58.60 3a2o s ILE 13 Cb -0.18 -2.09 0.01 0.00 1.25 0.00 0.00 42.46 41.45 3a2o s ILE 13 CO 0.16 -0.24 -0.19 -0.75 0.24 0.00 0.00 174.94 174.15 3a2o s LYS 14 N -2.91 3.07 -0.12 0.37 2.20 -1.07 -1.36 119.74 119.91 3a2o s LYS 14 Ca 0.22 -0.82 -0.07 0.00 -0.36 0.00 0.00 55.97 54.94 3a2o s LYS 14 Cb -0.07 -2.54 0.05 0.00 -1.51 0.00 0.00 37.83 33.77 3a2o s LYS 14 CO 0.10 -0.07 0.28 -1.50 -0.36 0.00 0.00 175.35 173.80 3a2o s ILE 15 N 0.98 -0.03 -1.80 5.43 2.07 -0.12 -2.67 121.20 125.05 3a2o s ILE 15 Ca -0.03 0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 3a2o s ILE 15 Cb -0.15 -0.43 0.00 0.00 0.13 0.00 0.00 42.46 42.01 3a2o s ILE 15 CO -0.05 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 3a2o n GLY 16 N 4.10 -0.30 2.61 1.50 0.00 -1.26 -0.98 105.19 110.86 3a2o n GLY 16 Ca -0.24 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3a2o n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a2o n GLY 17 N -0.98 0.75 3.47 -0.02 0.00 -1.26 -5.02 105.19 102.13 3a2o n GLY 17 Ca -0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 3a2o n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a2o s GLN 18 N -0.06 1.78 -0.12 1.61 -0.21 -0.15 -5.12 119.66 117.38 3a2o s GLN 18 Ca 0.00 -1.17 -0.12 0.00 0.02 0.00 0.00 55.36 54.09 3a2o s GLN 18 Cb 0.00 -2.09 -0.05 0.00 1.00 0.00 0.00 33.01 31.87 3a2o s GLN 18 CO 0.00 0.49 0.26 -0.51 -2.12 0.00 0.00 175.29 173.40 3a2o s LEU 19 N -2.00 4.32 0.06 2.90 1.43 -1.26 -0.95 118.68 123.19 3a2o s LEU 19 Ca 0.17 0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 53.81 3a2o s LEU 19 Cb -0.10 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 3a2o s LEU 19 CO 0.09 0.23 -0.02 -0.54 0.23 0.00 0.00 176.35 176.33 3a2o s LYS 20 N -0.21 0.67 -0.10 1.70 1.02 -0.46 -5.00 119.74 117.36 3a2o s LYS 20 Ca 0.16 -1.26 -0.08 0.00 0.02 0.00 0.00 55.97 54.81 3a2o s LYS 20 Cb -0.13 0.17 -0.04 0.00 -0.52 0.00 0.00 37.83 37.31 3a2o s LYS 20 CO 0.05 -0.12 0.19 -1.21 -0.92 0.00 0.00 175.35 173.34 3a2o s GLU 21 N -3.93 3.53 0.05 1.68 0.41 -1.26 -0.41 118.70 118.77 3a2o s GLU 21 Ca 0.09 -0.03 -0.09 0.00 -0.41 0.00 0.00 54.97 54.53 3a2o s GLU 21 Cb 0.08 -3.19 0.00 0.00 -1.78 0.00 0.00 34.13 29.23 3a2o s GLU 21 CO -0.08 0.76 0.19 0.00 -0.49 0.00 0.00 175.26 175.64 3a2o s ALA 22 N -1.04 -0.31 -0.19 5.21 0.00 -0.03 -4.53 121.76 120.87 3a2o s ALA 22 Ca 0.17 -0.38 -0.15 0.00 0.00 0.00 0.00 51.96 51.60 3a2o s ALA 22 Cb -0.13 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 3a2o s ALA 22 CO 0.06 -0.40 0.34 -1.17 0.00 0.00 0.00 175.76 174.59 3a2o s LEU 23 N -2.29 4.18 -0.46 0.00 2.96 0.07 -0.85 118.68 122.29 3a2o s LEU 23 Ca -0.02 0.46 -0.29 0.00 -0.22 0.00 0.00 54.13 54.06 3a2o s LEU 23 Cb 0.01 -2.42 0.02 0.00 0.50 0.00 0.00 46.19 44.29 3a2o s LEU 23 CO -0.06 -0.00 1.30 -0.76 -1.32 0.00 0.00 176.35 175.51 3a2o s LEU 24 N 1.01 3.58 -0.36 -0.68 1.43 -0.30 -0.66 118.68 122.70 3a2o s LEU 24 Ca 0.17 0.62 0.02 0.00 -1.03 0.00 0.00 54.13 53.91 3a2o s LEU 24 Cb -0.14 -3.49 0.11 0.00 0.03 0.00 0.00 46.19 42.70 3a2o s LEU 24 CO 0.06 -1.40 0.11 -0.62 0.23 0.00 0.00 176.35 174.74 3a2o s ASP 25 N 3.40 4.34 0.48 2.29 -1.08 -0.20 -4.78 116.67 121.13 3a2o s ASP 25 Ca 0.55 -2.15 0.32 0.00 -0.52 0.00 0.00 52.55 50.75 3a2o s ASP 25 Cb -0.11 -1.32 1.47 0.00 -1.46 0.00 0.00 42.92 41.51 3a2o s ASP 25 CO 0.32 -0.36 1.97 0.71 0.52 0.00 0.00 175.17 178.32 3a2o h THR 26 N 6.27 0.00 -0.00 1.71 1.35 -1.93 -2.56 112.91 117.75 3a2o h THR 26 Ca -0.07 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3a2o h THR 26 Cb 0.99 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 3a2o h THR 26 CO 0.52 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 176.39 3a2o n GLY 27 N -0.32 -1.44 3.66 5.82 0.00 -1.26 -4.82 105.19 106.83 3a2o n GLY 27 Ca 0.00 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 3a2o n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a2o s ALA 28 N -2.89 3.56 0.23 4.61 0.00 -0.96 -4.98 121.76 121.32 3a2o s ALA 28 Ca 0.18 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 3a2o s ALA 28 Cb 0.19 -2.16 0.24 0.00 0.00 0.00 0.00 23.12 21.39 3a2o s ALA 28 CO 0.52 -0.01 1.64 -0.44 0.00 0.00 0.00 175.76 177.47 3a2o h ASP 29 N 7.09 0.69 -2.03 0.00 3.32 -1.87 0.67 116.42 124.28 3a2o h ASP 29 Ca -0.39 -0.25 -0.62 0.00 0.02 0.00 0.00 57.03 55.79 3a2o h ASP 29 Cb 1.16 -0.19 -0.14 0.00 0.22 0.00 0.00 39.33 40.39 3a2o h ASP 29 CO 0.69 0.92 -0.71 -1.81 -1.72 0.00 0.00 179.24 176.62 3a2o s ASP 30 N -6.78 3.68 -0.22 6.45 -0.00 -1.26 -2.60 116.67 115.95 3a2o s ASP 30 Ca -0.08 -1.14 -0.11 0.00 -0.00 0.00 0.00 52.55 51.22 3a2o s ASP 30 Cb 0.13 -0.33 -0.05 0.00 -0.00 0.00 0.00 42.92 42.67 3a2o s ASP 30 CO 0.82 -0.12 0.18 -0.89 -0.00 0.00 0.00 175.17 175.16 3a2o s THR 31 N -2.57 5.36 -0.04 -1.27 2.01 -1.26 -3.29 115.64 114.57 3a2o s THR 31 Ca 0.32 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.57 3a2o s THR 31 Cb -0.00 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 69.02 3a2o s THR 31 CO 0.16 0.37 -0.02 0.54 -0.69 0.00 0.00 174.62 174.98 3a2o s VAL 32 N 0.82 0.36 0.07 3.82 0.11 -0.50 -0.94 120.40 124.14 3a2o s VAL 32 Ca 0.09 -0.00 0.10 0.00 -2.93 0.00 0.00 61.98 59.24 3a2o s VAL 32 Cb -0.13 -0.43 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 3a2o s VAL 32 CO 0.03 0.19 -0.26 -0.63 -3.33 0.00 0.00 175.10 171.10 3a2o s ILE 33 N 1.09 2.25 1.07 7.04 -1.09 0.24 -1.44 121.20 130.35 3a2o s ILE 33 Ca -0.09 -1.48 -0.13 0.00 -2.23 0.00 0.00 60.65 56.72 3a2o s ILE 33 Cb -0.14 -1.92 0.18 0.00 -1.58 0.00 0.00 42.46 39.01 3a2o s ILE 33 CO -0.01 0.28 0.78 -1.84 -1.23 0.00 0.00 174.94 172.92 3a2o n GLU 34 N 1.48 -1.48 -1.68 2.79 0.28 -1.26 -1.51 120.64 119.27 3a2o n GLU 34 Ca -0.17 -0.39 -0.45 0.00 -0.16 0.00 0.00 57.16 55.98 3a2o n GLU 34 Cb 0.52 -2.10 -0.04 0.00 1.43 0.00 0.00 31.44 31.26 3a2o n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3a2o n GLU 35 N -3.80 2.17 -3.62 3.44 -0.58 -1.24 -4.56 120.64 112.46 3a2o n GLU 35 Ca 0.05 0.78 -0.07 0.00 -0.42 0.00 0.00 57.16 57.50 3a2o n GLU 35 Cb 0.55 -2.52 -0.02 0.00 -0.57 0.00 0.00 31.44 28.88 3a2o n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3a2o s MET 36 N 0.43 1.18 0.09 3.49 0.23 -1.26 -5.05 119.30 118.42 3a2o s MET 36 Ca 0.74 -0.55 -0.18 0.00 -1.03 0.00 0.00 55.69 54.68 3a2o s MET 36 Cb -0.65 0.47 -0.07 0.00 -1.53 0.00 0.00 34.83 33.05 3a2o s MET 36 CO 0.42 -0.53 0.56 0.45 -2.03 0.00 0.00 175.02 173.89 3a2o s SER 37 N -2.75 6.98 0.06 -1.18 0.15 -1.26 -5.03 113.70 110.68 3a2o s SER 37 Ca 0.07 1.20 0.01 0.00 0.70 0.00 0.00 55.95 57.94 3a2o s SER 37 Cb -0.02 -2.34 -0.03 0.00 -1.71 0.00 0.00 66.02 61.92 3a2o s SER 37 CO -0.04 0.22 -0.06 -0.76 1.20 0.00 0.00 173.24 173.80 3a2o s LEU 38 N -1.37 2.37 0.64 3.45 1.43 -1.26 -4.89 118.68 119.05 3a2o s LEU 38 Ca 0.32 -0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 52.55 3a2o s LEU 38 Cb -0.18 -0.06 -0.02 0.00 0.03 0.00 0.00 46.19 45.96 3a2o s LEU 38 CO 0.19 -0.35 1.04 -2.16 0.23 0.00 0.00 176.35 175.29 3a2o s PRO 39 N -2.61 3.38 0.12 1.29 0.04 -1.26 -4.97 135.00 130.99 3a2o s PRO 39 Ca -0.01 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.67 3a2o s PRO 39 Cb -0.03 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.44 3a2o s PRO 39 CO -0.03 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.73 3a2o n GLY 40 N -2.80 -3.06 3.84 0.56 0.00 -1.26 -4.91 105.19 97.55 3a2o n GLY 40 Ca 0.06 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 43.90 3a2o n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a2o s ARG 41 N -0.71 3.52 0.15 1.61 0.52 -1.26 -5.08 118.95 117.70 3a2o s ARG 41 Ca 0.00 0.92 -0.02 0.00 -0.52 0.00 0.00 55.73 56.10 3a2o s ARG 41 Cb 0.00 -2.07 -0.03 0.00 0.52 0.00 0.00 34.95 33.37 3a2o s ARG 41 CO 0.00 -0.63 0.11 1.67 0.02 0.00 0.00 175.30 176.47 3a2o s TRP 42 N -2.89 0.82 0.03 -0.53 1.48 -1.26 -4.43 118.94 112.16 3a2o s TRP 42 Ca 0.58 -1.18 0.00 0.00 -1.06 0.00 0.00 56.10 54.45 3a2o s TRP 42 Cb -0.12 -0.42 -0.02 0.00 -1.16 0.00 0.00 33.47 31.75 3a2o s TRP 42 CO 0.45 -0.57 -0.04 -1.59 -4.06 0.00 0.00 176.95 171.14 3a2o s LYS 43 N -4.05 0.40 0.53 3.25 -2.85 -0.90 -4.93 119.74 111.19 3a2o s LYS 43 Ca 0.25 -0.71 -0.18 0.00 -1.00 0.00 0.00 55.97 54.32 3a2o s LYS 43 Cb 0.07 0.01 -0.07 0.00 -2.06 0.00 0.00 37.83 35.78 3a2o s LYS 43 CO 0.03 -0.03 1.03 -1.25 0.10 0.00 0.00 175.35 175.23 3a2o s PRO 44 N -1.75 3.67 0.01 1.78 0.04 -1.26 -0.42 135.00 137.07 3a2o s PRO 44 Ca -0.12 1.23 -0.09 0.00 0.04 0.00 0.00 61.00 62.06 3a2o s PRO 44 Cb -0.08 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.38 3a2o s PRO 44 CO -0.01 -0.52 0.19 0.21 0.04 0.00 0.00 177.00 176.90 3a2o s LYS 45 N -3.65 0.59 -0.13 4.56 2.20 -0.53 -4.85 119.74 117.93 3a2o s LYS 45 Ca 0.64 -0.45 -0.02 0.00 -0.36 0.00 0.00 55.97 55.79 3a2o s LYS 45 Cb -0.15 0.25 -0.02 0.00 -1.51 0.00 0.00 37.83 36.39 3a2o s LYS 45 CO 0.27 -0.16 -0.07 -1.64 -0.36 0.00 0.00 175.35 173.39 3a2o s MET 46 N -1.79 3.36 0.01 4.03 -1.94 -1.26 -0.86 119.30 120.85 3a2o s MET 46 Ca -0.11 -0.57 0.07 0.00 -1.71 0.00 0.00 55.69 53.36 3a2o s MET 46 Cb -0.05 -2.75 -0.02 0.00 2.01 0.00 0.00 34.83 34.02 3a2o s MET 46 CO 0.00 0.34 -0.21 0.96 -0.01 0.00 0.00 175.02 176.10 3a2o s ILE 47 N 0.06 1.71 -0.22 2.53 -4.36 -0.52 -4.97 121.20 115.44 3a2o s ILE 47 Ca -0.02 -1.07 -0.08 0.00 -0.26 0.00 0.00 60.65 59.22 3a2o s ILE 47 Cb -0.14 -1.46 -0.04 0.00 1.25 0.00 0.00 42.46 42.08 3a2o s ILE 47 CO 0.03 0.35 0.09 -0.83 0.24 0.00 0.00 174.94 174.82 3a2o s GLY 48 N -0.85 1.88 0.00 6.27 0.00 -1.26 -1.06 107.32 112.29 3a2o s GLY 48 Ca 0.08 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.90 3a2o s GLY 48 CO 0.01 0.29 0.00 0.61 0.00 0.00 0.00 173.10 174.01 3a2o n GLY 49 N 4.17 7.07 0.29 0.20 0.00 0.22 -4.98 105.19 112.14 3a2o n GLY 49 Ca -0.16 -1.97 0.09 0.00 0.00 0.00 0.00 46.02 43.98 3a2o n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3a2o h ILE 50 N 0.13 0.98 -0.72 -0.61 6.09 -2.03 -3.07 117.51 118.28 3a2o h ILE 50 Ca 0.00 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.45 3a2o h ILE 50 Cb 0.00 0.86 0.00 0.00 0.47 0.00 0.00 36.82 38.15 3a2o h ILE 50 CO 0.00 0.02 0.00 0.61 -3.07 0.00 0.00 178.15 175.71 3a2o n GLY 51 N -1.54 2.36 0.00 8.18 0.00 -1.26 -5.08 105.19 107.85 3a2o n GLY 51 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3a2o n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a2o n GLY 52 N 1.64 -0.20 3.65 -0.02 0.00 -1.16 -5.09 105.19 104.01 3a2o n GLY 52 Ca 0.24 -1.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.01 3a2o n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a2o s PHE 53 N 0.00 2.86 0.12 1.61 0.40 -1.26 -0.61 117.98 121.10 3a2o s PHE 53 Ca 0.00 -0.11 0.06 0.00 -0.60 0.00 0.00 56.93 56.28 3a2o s PHE 53 Cb 0.00 -1.43 -0.04 0.00 0.51 0.00 0.00 43.02 42.06 3a2o s PHE 53 CO 0.00 0.49 -0.15 0.96 0.70 0.00 0.00 175.22 177.22 3a2o s ILE 54 N -1.50 1.41 -0.09 0.64 -4.36 -0.23 -4.97 121.20 112.10 3a2o s ILE 54 Ca 0.26 -1.70 -0.16 0.00 -0.26 0.00 0.00 60.65 58.79 3a2o s ILE 54 Cb -0.10 -1.54 -0.05 0.00 1.25 0.00 0.00 42.46 42.02 3a2o s ILE 54 CO 0.17 -0.36 0.40 -0.75 0.24 0.00 0.00 174.94 174.64 3a2o s LYS 55 N -2.56 4.16 0.22 0.37 2.20 -1.26 -1.44 119.74 121.43 3a2o s LYS 55 Ca 0.09 0.34 0.02 0.00 -0.36 0.00 0.00 55.97 56.05 3a2o s LYS 55 Cb -0.06 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.86 3a2o s LYS 55 CO 0.03 0.37 0.04 0.14 -0.36 0.00 0.00 175.35 175.57 3a2o s VAL 56 N -0.01 0.73 -0.20 4.02 -7.23 -0.04 -4.44 120.40 113.23 3a2o s VAL 56 Ca 0.23 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.30 3a2o s VAL 56 Cb -0.15 -2.37 -0.05 0.00 0.56 0.00 0.00 36.38 34.37 3a2o s VAL 56 CO 0.10 -0.26 0.11 -0.13 -0.31 0.00 0.00 175.10 174.60 3a2o s ARG 57 N -3.94 4.10 -0.30 4.82 0.52 -0.01 -1.45 118.95 122.69 3a2o s ARG 57 Ca 0.30 -0.27 -0.12 0.00 -0.52 0.00 0.00 55.73 55.12 3a2o s ARG 57 Cb 0.07 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 3a2o s ARG 57 CO 0.09 0.26 0.24 -1.14 0.02 0.00 0.00 175.30 174.77 3a2o s GLN 58 N 0.45 3.79 -0.14 3.54 0.74 0.44 -0.78 119.66 127.70 3a2o s GLN 58 Ca 0.06 -0.38 -0.02 0.00 0.05 0.00 0.00 55.36 55.07 3a2o s GLN 58 Cb -0.12 -3.72 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 3a2o s GLN 58 CO -0.01 -0.30 -0.07 0.71 -0.55 0.00 0.00 175.29 175.07 3a2o s TYR 59 N 1.81 2.95 0.23 1.67 1.51 -0.43 -2.12 117.35 122.98 3a2o s TYR 59 Ca 0.08 -0.35 0.05 0.00 -1.01 0.00 0.00 57.07 55.85 3a2o s TYR 59 Cb -0.16 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.76 3a2o s TYR 59 CO 0.11 -0.03 0.33 -0.51 -1.11 0.00 0.00 175.55 174.33 3a2o s ASP 60 N 0.19 6.21 -1.30 2.29 1.01 -1.26 -0.83 116.67 122.98 3a2o s ASP 60 Ca -0.04 0.04 -0.05 0.00 0.71 0.00 0.00 52.55 53.22 3a2o s ASP 60 Cb -0.14 -1.80 0.01 0.00 1.01 0.00 0.00 42.92 42.00 3a2o s ASP 60 CO 0.04 -0.05 1.03 0.00 0.21 0.00 0.00 175.17 176.40 3a2o n GLN 61 N -1.25 -6.82 -3.72 8.23 6.02 -1.17 -4.91 117.38 113.77 3a2o n GLN 61 Ca -0.09 0.79 -0.37 0.00 -0.01 0.00 0.00 57.00 57.32 3a2o n GLN 61 Cb 0.57 -5.76 -0.06 0.00 1.02 0.00 0.00 30.24 26.01 3a2o n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3a2o s ILE 62 N -3.38 5.33 -0.06 5.09 -1.09 -0.14 -4.82 121.20 122.14 3a2o s ILE 62 Ca 0.28 0.44 -0.14 0.00 -2.23 0.00 0.00 60.65 59.00 3a2o s ILE 62 Cb -0.13 -3.52 -0.05 0.00 -1.58 0.00 0.00 42.46 37.18 3a2o s ILE 62 CO 0.75 0.57 0.36 -0.63 -1.23 0.00 0.00 174.94 174.76 3a2o s ILE 63 N -0.80 5.16 0.37 2.92 1.01 -1.26 -1.40 121.20 127.20 3a2o s ILE 63 Ca 0.17 0.72 0.06 0.00 0.00 0.00 0.00 60.65 61.60 3a2o s ILE 63 Cb -0.13 -3.67 -0.07 0.00 0.01 0.00 0.00 42.46 38.59 3a2o s ILE 63 CO 0.06 0.51 0.02 -0.63 0.00 0.00 0.00 174.94 174.90 3a2o s ILE 64 N -0.54 1.71 -0.06 2.92 1.01 -1.06 -4.48 121.20 120.71 3a2o s ILE 64 Ca 0.21 -2.02 -0.02 0.00 0.00 0.00 0.00 60.65 58.82 3a2o s ILE 64 Cb -0.15 -2.87 0.04 0.00 0.01 0.00 0.00 42.46 39.48 3a2o s ILE 64 CO 0.10 -0.03 0.11 -0.70 0.00 0.00 0.00 174.94 174.41 3a2o s GLU 65 N -3.77 0.01 -0.27 2.79 2.12 -1.09 -1.87 118.70 116.62 3a2o s GLU 65 Ca 0.35 0.40 0.00 0.00 0.36 0.00 0.00 54.97 56.08 3a2o s GLU 65 Cb 0.09 -0.30 0.08 0.00 0.26 0.00 0.00 34.13 34.26 3a2o s GLU 65 CO 0.17 -0.25 0.02 0.42 -0.54 0.00 0.00 175.26 175.08 3a2o s ILE 66 N 1.73 1.33 -1.29 -3.70 1.01 -0.28 -2.61 121.20 117.40 3a2o s ILE 66 Ca -0.02 -1.39 -0.05 0.00 0.00 0.00 0.00 60.65 59.20 3a2o s ILE 66 Cb -0.12 -1.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.53 3a2o s ILE 66 CO -0.05 -0.38 0.64 0.00 0.00 0.00 0.00 174.94 175.16 3a2o n ALA 67 N 4.70 -2.15 0.00 9.38 0.00 -1.26 -1.18 120.51 130.00 3a2o n ALA 67 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3a2o n ALA 67 Cb 0.43 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.45 3a2o n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a2o n GLY 68 N -1.70 1.75 3.46 0.00 0.00 -1.26 -5.00 105.19 102.43 3a2o n GLY 68 Ca -0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 3a2o n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3a2o s HIS 69 N -2.38 3.15 0.35 1.61 4.02 -0.33 -5.05 115.29 116.67 3a2o s HIS 69 Ca 0.00 -0.49 -0.11 0.00 1.02 0.00 0.00 55.06 55.48 3a2o s HIS 69 Cb 0.00 -3.09 -0.07 0.00 -1.02 0.00 0.00 32.58 28.40 3a2o s HIS 69 CO 0.00 -0.79 0.71 0.15 1.02 0.00 0.00 174.74 175.83 3a2o s LYS 70 N 2.18 3.82 0.36 1.40 1.02 -1.26 -1.12 119.74 126.14 3a2o s LYS 70 Ca 0.12 0.45 -0.10 0.00 0.02 0.00 0.00 55.97 56.45 3a2o s LYS 70 Cb -0.19 -2.46 0.04 0.00 -0.52 0.00 0.00 37.83 34.70 3a2o s LYS 70 CO 0.12 0.08 0.65 0.00 -0.92 0.00 0.00 175.35 175.29 3a2o n ALA 71 N -0.87 -1.22 -3.16 5.17 0.00 -0.78 -4.84 120.51 114.81 3a2o n ALA 71 Ca 0.02 -1.32 -0.13 0.00 0.00 0.00 0.00 53.44 52.01 3a2o n ALA 71 Cb 0.54 1.06 -0.11 0.00 0.00 0.00 0.00 19.45 20.94 3a2o n ALA 71 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3a2o s ILE 72 N -2.37 0.02 -0.84 0.00 2.07 -1.26 -2.57 121.20 116.24 3a2o s ILE 72 Ca 0.19 -0.15 0.00 0.00 -1.41 0.00 0.00 60.65 59.29 3a2o s ILE 72 Cb -0.03 -0.41 0.00 0.00 0.13 0.00 0.00 42.46 42.14 3a2o s ILE 72 CO 0.14 -0.08 0.00 0.61 -1.91 0.00 0.00 174.94 173.70 3a2o n GLY 73 N 2.53 -1.20 3.74 1.50 0.00 -0.49 -4.92 105.19 106.36 3a2o n GLY 73 Ca -0.15 -0.86 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 3a2o n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a2o s THR 74 N -3.00 4.05 -0.07 2.61 2.01 -1.26 -0.96 115.64 119.01 3a2o s THR 74 Ca 0.00 1.91 0.02 0.00 0.31 0.00 0.00 61.69 63.93 3a2o s THR 74 Cb 0.00 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.31 3a2o s THR 74 CO 0.00 0.39 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.50 3a2o s VAL 75 N -0.70 1.26 -0.07 3.82 1.01 -0.01 -4.51 120.40 121.20 3a2o s VAL 75 Ca 0.45 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 3a2o s VAL 75 Cb -0.27 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 3a2o s VAL 75 CO 0.33 0.38 0.24 -0.76 0.00 0.00 0.00 175.10 175.30 3a2o s LEU 76 N 0.69 4.42 -0.08 3.92 1.43 -0.11 -1.31 118.68 127.63 3a2o s LEU 76 Ca -0.14 0.65 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 3a2o s LEU 76 Cb -0.16 -2.29 0.01 0.00 0.03 0.00 0.00 46.19 43.78 3a2o s LEU 76 CO 0.04 0.37 -0.16 -0.69 0.23 0.00 0.00 176.35 176.14 3a2o s VAL 77 N -1.06 1.47 -1.98 -1.59 1.01 0.04 -0.60 120.40 117.69 3a2o s VAL 77 Ca 0.19 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3a2o s VAL 77 Cb -0.14 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.93 3a2o s VAL 77 CO 0.08 0.43 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3a2o n GLY 78 N 3.83 -0.81 2.32 4.51 0.00 -0.57 -0.83 105.19 113.64 3a2o n GLY 78 Ca -0.21 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 3a2o n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3a2o n PRO 79 N 0.00 3.46 -2.49 1.61 -0.04 -1.26 -3.69 135.00 132.59 3a2o n PRO 79 Ca 0.00 -2.34 -0.40 0.00 -0.04 0.00 0.00 63.50 60.72 3a2o n PRO 79 Cb 0.00 -2.51 -0.04 0.00 -0.04 0.00 0.00 33.50 30.91 3a2o n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3a2o s THR 80 N 0.43 3.60 0.29 0.52 -1.32 -1.26 -4.93 115.64 112.97 3a2o s THR 80 Ca 0.64 1.54 0.30 0.00 -1.21 0.00 0.00 61.69 62.95 3a2o s THR 80 Cb 0.24 -3.98 0.32 0.00 -1.51 0.00 0.00 72.50 67.56 3a2o s THR 80 CO -0.08 0.34 2.02 -0.65 -2.21 0.00 0.00 174.62 174.04 3a2o h PRO 81 N 4.21 0.00 -2.96 7.08 0.11 -1.98 -3.44 132.00 135.02 3a2o h PRO 81 Ca -0.46 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 3a2o h PRO 81 Cb 1.21 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.12 3a2o h PRO 81 CO 0.69 0.11 -0.24 0.14 -0.21 0.00 0.00 178.00 178.48 3a2o s VAL 82 N -3.92 0.05 -0.09 3.15 -7.23 -1.26 -5.11 120.40 105.99 3a2o s VAL 82 Ca -0.01 -0.44 -0.30 0.00 -1.81 0.00 0.00 61.98 59.42 3a2o s VAL 82 Cb 0.11 -0.64 -0.03 0.00 0.56 0.00 0.00 36.38 36.38 3a2o s VAL 82 CO 0.57 -0.24 1.37 0.20 -0.31 0.00 0.00 175.10 176.69 3a2o s ASN 83 N -1.31 6.88 -0.03 4.85 0.01 -1.26 -4.83 114.94 119.24 3a2o s ASN 83 Ca -0.13 1.92 0.05 0.00 -0.71 0.00 0.00 52.86 53.98 3a2o s ASN 83 Cb -0.05 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.06 3a2o s ASN 83 CO 0.05 -0.77 -0.17 0.27 -1.51 0.00 0.00 177.10 174.97 3a2o s ILE 84 N 3.23 1.40 -0.40 0.60 -4.36 -0.52 -0.75 121.20 120.40 3a2o s ILE 84 Ca 0.61 -0.73 -0.19 0.00 -0.26 0.00 0.00 60.65 60.08 3a2o s ILE 84 Cb -0.27 -1.19 0.01 0.00 1.25 0.00 0.00 42.46 42.27 3a2o s ILE 84 CO 0.21 0.40 0.56 -0.63 0.24 0.00 0.00 174.94 175.72 3a2o s ILE 85 N -0.17 4.95 0.39 8.37 -1.09 0.17 -1.41 121.20 132.40 3a2o s ILE 85 Ca 0.01 0.15 0.05 0.00 -2.23 0.00 0.00 60.65 58.64 3a2o s ILE 85 Cb -0.09 -4.08 0.07 0.00 -1.58 0.00 0.00 42.46 36.78 3a2o s ILE 85 CO 0.01 -0.41 0.54 0.61 -1.23 0.00 0.00 174.94 174.46 3a2o n GLY 86 N 4.93 1.72 0.26 6.18 0.00 -1.21 -1.03 105.19 116.04 3a2o n GLY 86 Ca -0.04 -2.16 0.06 0.00 0.00 0.00 0.00 46.02 43.88 3a2o n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3a2o h ARG 87 N 0.00 0.11 -0.12 1.61 3.08 -0.87 -0.75 114.38 117.44 3a2o h ARG 87 Ca -0.18 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 59.89 3a2o h ARG 87 Cb 0.81 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 3a2o h ARG 87 CO 0.25 0.14 0.10 -2.95 -1.07 0.00 0.00 179.97 176.44 3a2o h ASN 88 N 0.11 0.00 0.00 7.04 -1.07 -1.76 -1.85 115.58 118.06 3a2o h ASN 88 Ca 0.03 0.00 -0.22 0.00 0.07 0.00 0.00 56.30 56.18 3a2o h ASN 88 Cb 0.11 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.32 3a2o h ASN 88 CO 0.00 0.00 -1.99 0.18 0.07 0.00 0.00 177.43 175.69 3a2o n LEU 89 N -4.23 0.00 -0.30 6.14 4.77 -0.72 -4.46 117.00 118.20 3a2o n LEU 89 Ca -0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 3a2o n LEU 89 Cb 0.21 0.30 0.22 0.00 -2.33 0.00 0.00 43.42 41.82 3a2o n LEU 89 CO 0.32 0.30 1.26 -0.07 -1.33 0.00 0.00 177.39 177.86 3a2o h LEU 90 N 0.00 0.95 -1.02 2.23 3.38 -0.88 -1.55 115.31 118.41 3a2o h LEU 90 Ca -0.33 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.66 3a2o h LEU 90 Cb 1.70 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 42.18 3a2o h LEU 90 CO 0.02 0.64 0.66 0.71 0.09 0.00 0.00 178.44 180.56 3a2o h THR 91 N 1.09 1.20 0.00 0.22 1.35 -1.57 -1.68 112.91 113.52 3a2o h THR 91 Ca 0.36 -0.44 -0.10 0.00 -0.55 0.00 0.00 66.41 65.68 3a2o h THR 91 Cb 0.05 -0.21 -0.01 0.00 -1.73 0.00 0.00 68.15 66.25 3a2o h THR 91 CO -0.11 0.24 -0.46 1.56 -0.25 0.00 0.00 175.52 176.49 3a2o h GLN 92 N 1.29 0.00 -0.01 4.72 1.08 -1.51 -1.63 115.11 119.06 3a2o h GLN 92 Ca 0.39 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.59 3a2o h GLN 92 Cb -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 3a2o h GLN 92 CO -0.11 0.46 -0.00 0.44 -0.95 0.00 0.00 178.83 178.66 3a2o n ILE 93 N -3.67 0.00 -1.22 2.54 -5.35 -1.08 -4.94 119.36 105.64 3a2o n ILE 93 Ca -0.01 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 3a2o n ILE 93 Cb 0.54 0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.64 3a2o n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a2o n GLY 94 N 1.13 0.54 3.73 3.28 0.00 -0.61 -5.03 105.19 108.23 3a2o n GLY 94 Ca 0.20 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 3a2o n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a2o s ALA 95 N -2.00 3.27 0.12 4.61 0.00 -0.65 -5.03 121.76 122.09 3a2o s ALA 95 Ca 0.00 0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.55 3a2o s ALA 95 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 3a2o s ALA 95 CO 0.00 0.02 -0.09 0.95 0.00 0.00 0.00 175.76 176.64 3a2o s THR 96 N -0.21 0.99 -0.16 0.00 -4.23 -1.26 -4.66 115.64 106.11 3a2o s THR 96 Ca 0.45 -1.94 -0.08 0.00 -1.18 0.00 0.00 61.69 58.94 3a2o s THR 96 Cb -0.24 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.86 3a2o s THR 96 CO 0.30 -0.74 0.12 -0.22 -0.54 0.00 0.00 174.62 173.54 3a2o s LEU 97 N -2.98 4.23 -0.03 4.79 2.96 -1.26 -5.09 118.68 121.30 3a2o s LEU 97 Ca 0.13 0.31 0.03 0.00 -0.22 0.00 0.00 54.13 54.37 3a2o s LEU 97 Cb 0.02 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.65 3a2o s LEU 97 CO -0.01 0.28 -0.10 0.20 -1.32 0.00 0.00 176.35 175.39 3a2o s ASN 98 N -0.22 1.34 0.00 3.68 -0.87 -1.26 -5.30 114.94 112.31 3a2o s ASN 98 Ca 0.10 -0.21 0.00 0.00 -1.57 0.00 0.00 52.86 51.19 3a2o s ASN 98 Cb -0.12 -0.35 0.00 0.00 -0.02 0.00 0.00 41.25 40.77 3a2o s ASN 98 CO 0.01 0.08 0.00 2.22 -2.57 0.00 0.00 177.10 176.84