#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dmp s GLN 2 N 0.00 3.45 -0.25 0.54 0.74 -1.26 -5.06 119.66 117.82 1dmp s GLN 2 Ca 0.00 -0.67 -0.12 0.00 0.05 0.00 0.00 55.36 54.62 1dmp s GLN 2 Cb 0.00 -3.79 -0.05 0.00 1.10 0.00 0.00 33.01 30.28 1dmp s GLN 2 CO 0.00 -0.46 0.23 0.08 -0.55 0.00 0.00 175.29 174.59 1dmp s VAL 3 N 1.71 5.30 0.83 1.34 1.01 -1.26 -5.07 120.40 124.25 1dmp s VAL 3 Ca 0.06 0.30 -0.10 0.00 0.00 0.00 0.00 61.98 62.23 1dmp s VAL 3 Cb -0.17 -3.57 0.13 0.00 0.00 0.00 0.00 36.38 32.77 1dmp s VAL 3 CO 0.10 0.27 1.16 0.42 0.00 0.00 0.00 175.10 177.06 1dmp s THR 4 N 1.48 2.09 -0.17 3.92 -4.23 -1.26 -5.00 115.64 112.47 1dmp s THR 4 Ca 0.10 -0.17 0.15 0.00 -1.18 0.00 0.00 61.69 60.59 1dmp s THR 4 Cb -0.15 -2.92 0.36 0.00 1.34 0.00 0.00 72.50 71.13 1dmp s THR 4 CO 0.08 0.00 1.20 0.18 -0.54 0.00 0.00 174.62 175.54 1dmp n LEU 5 N -3.32 2.63 0.23 4.79 4.77 -1.26 -4.39 117.00 120.44 1dmp n LEU 5 Ca 0.12 -3.42 0.09 0.00 -0.03 0.00 0.00 56.01 52.77 1dmp n LEU 5 Cb 0.60 -0.48 0.53 0.00 -2.33 0.00 0.00 43.42 41.74 1dmp n LEU 5 CO 0.49 0.99 0.84 -0.50 -1.33 0.00 0.00 177.39 177.88 1dmp h TRP 6 N 0.50 0.00 -3.97 -1.77 4.06 -2.05 -3.43 115.95 109.29 1dmp h TRP 6 Ca 0.01 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 60.59 1dmp h TRP 6 Cb 1.05 0.00 -0.23 0.00 -1.00 0.00 0.00 29.16 28.98 1dmp h TRP 6 CO 0.35 0.24 -0.77 1.14 -3.56 0.00 0.00 178.44 175.84 1dmp s GLN 7 N -4.00 0.73 0.17 0.49 0.00 -1.26 -5.09 119.66 110.70 1dmp s GLN 7 Ca -0.02 -0.78 -0.33 0.00 -0.00 0.00 0.00 55.36 54.23 1dmp s GLN 7 Cb 0.12 -0.67 -0.15 0.00 0.00 0.00 0.00 33.01 32.32 1dmp s GLN 7 CO 0.64 0.15 1.31 0.54 0.00 0.00 0.00 175.29 177.93 1dmp n ARG 8 N 1.64 1.51 -2.51 9.60 5.12 -1.26 -4.83 116.66 125.93 1dmp n ARG 8 Ca -0.20 0.54 -0.41 0.00 -1.93 0.00 0.00 57.85 55.85 1dmp n ARG 8 Cb 0.55 -2.14 -0.03 0.00 -1.16 0.00 0.00 32.46 29.68 1dmp n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1dmp s PRO 9 N -0.06 3.16 0.26 5.56 0.04 -1.26 -4.99 135.00 137.71 1dmp s PRO 9 Ca 0.75 -0.22 0.08 0.00 0.04 0.00 0.00 61.00 61.65 1dmp s PRO 9 Cb -0.80 -4.26 -0.04 0.00 0.04 0.00 0.00 34.50 29.44 1dmp s PRO 9 CO 0.49 -2.20 0.12 -0.51 0.04 0.00 0.00 177.00 174.94 1dmp s LEU 10 N 5.98 3.59 0.04 -3.56 1.43 -1.26 -0.82 118.68 124.08 1dmp s LEU 10 Ca 0.38 -0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 52.99 1dmp s LEU 10 Cb -0.08 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 44.03 1dmp s LEU 10 CO 0.14 -0.02 0.21 0.54 0.23 0.00 0.00 176.35 177.44 1dmp s VAL 11 N -2.20 0.11 -0.01 -1.59 0.11 -0.83 -4.94 120.40 111.04 1dmp s VAL 11 Ca 0.32 -0.88 -0.19 0.00 -2.93 0.00 0.00 61.98 58.31 1dmp s VAL 11 Cb -0.07 -0.93 -0.05 0.00 -1.53 0.00 0.00 36.38 33.79 1dmp s VAL 11 CO 0.23 -0.49 0.53 -0.89 -3.33 0.00 0.00 175.10 171.16 1dmp s THR 12 N -2.61 4.96 0.13 5.04 2.01 -1.26 -0.89 115.64 123.02 1dmp s THR 12 Ca -0.05 1.10 0.09 0.00 0.31 0.00 0.00 61.69 63.14 1dmp s THR 12 Cb -0.01 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1dmp s THR 12 CO -0.04 0.45 -0.15 0.27 -0.69 0.00 0.00 174.62 174.46 1dmp s ILE 13 N -0.35 2.99 -0.06 1.82 -4.36 -0.06 -4.40 121.20 116.79 1dmp s ILE 13 Ca 0.28 -1.50 0.04 0.00 -0.26 0.00 0.00 60.65 59.21 1dmp s ILE 13 Cb -0.17 -2.40 -0.02 0.00 1.25 0.00 0.00 42.46 41.11 1dmp s ILE 13 CO 0.15 0.06 -0.16 -0.75 0.24 0.00 0.00 174.94 174.48 1dmp s LYS 14 N -2.29 2.62 -0.28 0.37 2.20 0.15 0.09 119.74 122.59 1dmp s LYS 14 Ca 0.20 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 55.07 1dmp s LYS 14 Cb -0.10 -2.37 0.18 0.00 -1.51 0.00 0.00 37.83 34.03 1dmp s LYS 14 CO 0.12 0.53 0.53 0.96 -0.36 0.00 0.00 175.35 177.13 1dmp s ILE 15 N -0.48 -0.88 -1.20 5.43 -4.36 0.03 -1.00 121.20 118.74 1dmp s ILE 15 Ca 0.06 -0.04 -0.03 0.00 -0.26 0.00 0.00 60.65 60.38 1dmp s ILE 15 Cb -0.12 -0.96 -0.01 0.00 1.25 0.00 0.00 42.46 42.62 1dmp s ILE 15 CO 0.02 -0.05 0.87 0.61 0.24 0.00 0.00 174.94 176.62 1dmp n GLY 16 N 5.41 -0.54 3.01 6.27 0.00 -1.26 -2.07 105.19 116.01 1dmp n GLY 16 Ca -0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1dmp n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dmp n GLY 17 N -1.33 0.14 3.57 -0.02 0.00 -1.26 -4.96 105.19 101.32 1dmp n GLY 17 Ca -0.24 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 1dmp n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dmp s GLN 18 N -1.37 2.32 -0.19 1.61 -0.21 -0.88 -5.10 119.66 115.85 1dmp s GLN 18 Ca 0.00 -0.88 -0.07 0.00 0.02 0.00 0.00 55.36 54.43 1dmp s GLN 18 Cb 0.00 -2.38 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 1dmp s GLN 18 CO 0.00 0.56 0.05 -0.51 -2.12 0.00 0.00 175.29 173.27 1dmp s LEU 19 N -1.72 3.70 0.34 2.90 1.02 -1.26 -0.79 118.68 122.86 1dmp s LEU 19 Ca 0.18 0.02 0.03 0.00 0.02 0.00 0.00 54.13 54.39 1dmp s LEU 19 Cb -0.11 -1.94 -0.04 0.00 0.02 0.00 0.00 46.19 44.12 1dmp s LEU 19 CO 0.10 0.15 0.12 -0.54 0.02 0.00 0.00 176.35 176.19 1dmp s LYS 20 N 0.52 1.69 0.04 1.70 1.02 0.11 -4.98 119.74 119.85 1dmp s LYS 20 Ca 0.02 -1.98 0.08 0.00 0.02 0.00 0.00 55.97 54.11 1dmp s LYS 20 Cb -0.13 -0.44 -0.03 0.00 -0.52 0.00 0.00 37.83 36.70 1dmp s LYS 20 CO 0.01 -0.38 -0.20 -1.21 -0.92 0.00 0.00 175.35 172.65 1dmp s GLU 21 N -3.83 2.01 0.02 1.68 2.02 -1.26 -0.88 118.70 118.46 1dmp s GLU 21 Ca 0.32 -1.01 -0.11 0.00 0.02 0.00 0.00 54.97 54.19 1dmp s GLU 21 Cb 0.05 -2.13 0.01 0.00 0.10 0.00 0.00 34.13 32.16 1dmp s GLU 21 CO 0.16 0.53 0.23 0.00 0.02 0.00 0.00 175.26 176.20 1dmp s ALA 22 N -0.89 -0.52 0.12 5.21 0.00 -0.07 -4.60 121.76 121.03 1dmp s ALA 22 Ca 0.14 -0.05 -0.24 0.00 0.00 0.00 0.00 51.96 51.80 1dmp s ALA 22 Cb -0.10 0.21 -0.07 0.00 0.00 0.00 0.00 23.12 23.15 1dmp s ALA 22 CO 0.04 -0.32 0.74 -0.51 0.00 0.00 0.00 175.76 175.71 1dmp s LEU 23 N -1.77 4.55 -0.34 0.00 1.43 0.63 -1.97 118.68 121.22 1dmp s LEU 23 Ca -0.09 1.54 -0.21 0.00 -1.03 0.00 0.00 54.13 54.34 1dmp s LEU 23 Cb -0.03 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 42.98 1dmp s LEU 23 CO -0.01 0.18 0.68 -0.76 0.23 0.00 0.00 176.35 176.67 1dmp s LEU 24 N -0.91 4.18 -0.22 1.79 1.43 0.00 -1.26 118.68 123.69 1dmp s LEU 24 Ca 0.35 0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.79 1dmp s LEU 24 Cb -0.22 -2.87 0.05 0.00 0.03 0.00 0.00 46.19 43.18 1dmp s LEU 24 CO 0.24 -0.59 -0.08 -0.62 0.23 0.00 0.00 176.35 175.54 1dmp s ASP 25 N 1.74 3.70 0.08 2.29 -1.08 0.83 -4.81 116.67 119.42 1dmp s ASP 25 Ca 0.27 -1.07 0.28 0.00 -0.52 0.00 0.00 52.55 51.51 1dmp s ASP 25 Cb -0.14 -1.24 1.05 0.00 -1.46 0.00 0.00 42.92 41.13 1dmp s ASP 25 CO 0.14 -0.19 1.86 0.35 0.52 0.00 0.00 175.17 177.85 1dmp n THR 26 N 4.65 0.23 1.27 1.71 -2.24 -1.26 -3.07 114.28 115.57 1dmp n THR 26 Ca -0.13 -0.11 0.13 0.00 -2.27 0.00 0.00 64.05 61.66 1dmp n THR 26 Cb 0.45 -0.52 0.39 0.00 -2.10 0.00 0.00 70.33 68.55 1dmp n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dmp n GLY 27 N 1.43 0.37 3.58 3.38 0.00 -1.26 -4.85 105.19 107.82 1dmp n GLY 27 Ca 0.06 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 1dmp n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dmp s ALA 28 N -1.93 3.29 -0.30 4.61 0.00 -1.18 -4.94 121.76 121.33 1dmp s ALA 28 Ca 0.35 -0.83 0.20 0.00 0.00 0.00 0.00 51.96 51.68 1dmp s ALA 28 Cb 0.20 -1.89 0.17 0.00 0.00 0.00 0.00 23.12 21.60 1dmp s ALA 28 CO 0.31 0.06 1.42 -0.44 0.00 0.00 0.00 175.76 177.11 1dmp h ASP 29 N 6.99 0.00 -4.30 0.00 3.32 -1.89 0.36 116.42 120.90 1dmp h ASP 29 Ca -0.36 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.06 1dmp h ASP 29 Cb 1.17 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.46 1dmp h ASP 29 CO 0.66 0.21 -0.86 -1.81 -1.72 0.00 0.00 179.24 175.72 1dmp s ASP 30 N -6.14 2.74 0.09 6.45 1.01 -1.26 -2.81 116.67 116.75 1dmp s ASP 30 Ca 0.04 -0.54 -0.30 0.00 0.71 0.00 0.00 52.55 52.46 1dmp s ASP 30 Cb 0.07 -0.24 -0.05 0.00 1.01 0.00 0.00 42.92 43.70 1dmp s ASP 30 CO 0.72 0.20 1.01 -0.89 0.21 0.00 0.00 175.17 176.43 1dmp s THR 31 N -0.78 4.43 -0.07 -1.27 2.01 -1.26 -3.68 115.64 115.02 1dmp s THR 31 Ca 0.09 1.93 0.01 0.00 0.31 0.00 0.00 61.69 64.04 1dmp s THR 31 Cb -0.09 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 68.20 1dmp s THR 31 CO 0.02 0.26 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.42 1dmp s VAL 32 N 0.29 0.98 -0.06 3.82 1.01 -0.14 -2.58 120.40 123.72 1dmp s VAL 32 Ca 0.50 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 62.16 1dmp s VAL 32 Cb -0.24 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1dmp s VAL 32 CO 0.30 0.33 -0.17 -0.76 0.00 0.00 0.00 175.10 174.80 1dmp s LEU 33 N 0.94 2.58 0.71 3.92 1.02 -0.73 -1.31 118.68 125.82 1dmp s LEU 33 Ca -0.10 -0.28 -0.15 0.00 0.02 0.00 0.00 54.13 53.62 1dmp s LEU 33 Cb -0.15 -1.52 0.03 0.00 0.02 0.00 0.00 46.19 44.57 1dmp s LEU 33 CO 0.01 0.31 1.20 -0.70 0.02 0.00 0.00 176.35 177.18 1dmp s GLU 34 N -0.51 2.27 0.01 1.70 -6.30 -1.26 -1.30 118.70 113.32 1dmp s GLU 34 Ca 0.07 1.72 -0.22 0.00 -2.50 0.00 0.00 54.97 54.04 1dmp s GLU 34 Cb -0.12 -1.85 -0.11 0.00 0.00 0.00 0.00 34.13 32.05 1dmp s GLU 34 CO 0.01 -1.73 0.57 0.39 0.02 0.00 0.00 175.26 174.52 1dmp n GLU 35 N -2.60 0.00 -3.55 4.30 -0.58 -1.19 -4.66 120.64 112.35 1dmp n GLU 35 Ca 0.13 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.71 1dmp n GLU 35 Cb 0.50 -0.81 -0.06 0.00 -0.57 0.00 0.00 31.44 30.50 1dmp n GLU 35 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1dmp s MET 36 N -0.07 1.02 -0.51 3.49 -1.94 -1.26 -5.03 119.30 115.00 1dmp s MET 36 Ca 0.50 0.09 -0.29 0.00 -1.71 0.00 0.00 55.69 54.29 1dmp s MET 36 Cb -0.70 0.48 0.02 0.00 2.01 0.00 0.00 34.83 36.64 1dmp s MET 36 CO 0.32 -0.33 1.26 -1.12 -0.01 0.00 0.00 175.02 175.14 1dmp s SER 37 N -1.41 6.43 -0.02 3.03 0.01 -1.26 -4.99 113.70 115.50 1dmp s SER 37 Ca -0.10 0.40 0.05 0.00 1.31 0.00 0.00 55.95 57.62 1dmp s SER 37 Cb -0.01 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 1dmp s SER 37 CO 0.06 -1.44 -0.17 -0.76 0.41 0.00 0.00 173.24 171.35 1dmp s LEU 38 N 5.08 2.62 -0.06 2.44 1.43 -1.26 -4.99 118.68 123.94 1dmp s LEU 38 Ca 0.50 -0.30 -0.26 0.00 -1.03 0.00 0.00 54.13 53.04 1dmp s LEU 38 Cb -0.09 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 1dmp s LEU 38 CO 0.29 0.31 0.82 -2.16 0.23 0.00 0.00 176.35 175.85 1dmp s PRO 39 N -0.96 4.46 0.00 1.29 0.04 -1.26 -4.95 135.00 133.61 1dmp s PRO 39 Ca 0.12 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1dmp s PRO 39 Cb -0.10 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1dmp s PRO 39 CO 0.02 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.42 1dmp n GLY 40 N 3.09 -0.21 1.89 0.56 0.00 -1.26 -5.01 105.19 104.26 1dmp n GLY 40 Ca 0.02 -1.32 -0.01 0.00 0.00 0.00 0.00 46.02 44.71 1dmp n GLY 40 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1dmp n ARG 41 N -1.07 -0.45 -3.64 1.61 -4.01 -1.26 -5.13 116.66 102.71 1dmp n ARG 41 Ca 0.00 0.82 -0.14 0.00 -1.04 0.00 0.00 57.85 57.49 1dmp n ARG 41 Cb 0.00 -2.62 -0.06 0.00 -3.04 0.00 0.00 32.46 26.73 1dmp n ARG 41 CO 0.00 0.00 0.00 1.67 -3.04 0.00 0.00 177.63 176.26 1dmp s TRP 42 N -2.45 -0.34 0.29 2.89 1.48 -1.26 -4.51 118.94 115.03 1dmp s TRP 42 Ca 0.02 0.41 0.07 0.00 -1.06 0.00 0.00 56.10 55.55 1dmp s TRP 42 Cb -0.01 0.25 -0.03 0.00 -1.16 0.00 0.00 33.47 32.52 1dmp s TRP 42 CO 0.20 -0.56 0.22 -1.59 -4.06 0.00 0.00 176.95 171.15 1dmp s LYS 43 N -2.11 2.79 0.77 3.25 -2.85 0.14 -4.84 119.74 116.88 1dmp s LYS 43 Ca -0.07 -1.19 -0.10 0.00 -1.00 0.00 0.00 55.97 53.61 1dmp s LYS 43 Cb -0.01 -2.49 0.07 0.00 -2.06 0.00 0.00 37.83 33.34 1dmp s LYS 43 CO 0.01 0.27 1.12 -1.25 0.10 0.00 0.00 175.35 175.60 1dmp s PRO 44 N -3.89 2.11 -0.08 1.78 0.04 -1.26 0.82 135.00 134.52 1dmp s PRO 44 Ca 0.36 0.03 -0.30 0.00 0.04 0.00 0.00 61.00 61.13 1dmp s PRO 44 Cb -0.07 -2.02 0.11 0.00 0.04 0.00 0.00 34.50 32.57 1dmp s PRO 44 CO 0.25 -1.44 0.96 0.21 0.04 0.00 0.00 177.00 177.02 1dmp s LYS 45 N -5.46 0.69 -0.02 4.56 2.20 -0.58 -4.67 119.74 116.45 1dmp s LYS 45 Ca 0.61 -0.13 0.06 0.00 -0.36 0.00 0.00 55.97 56.14 1dmp s LYS 45 Cb -0.11 0.32 -0.01 0.00 -1.51 0.00 0.00 37.83 36.52 1dmp s LYS 45 CO 0.48 -0.28 -0.19 -1.64 -0.36 0.00 0.00 175.35 173.36 1dmp s MET 46 N -2.38 1.67 0.34 4.03 -1.94 -1.26 0.16 119.30 119.92 1dmp s MET 46 Ca 0.03 -0.69 0.09 0.00 -1.71 0.00 0.00 55.69 53.41 1dmp s MET 46 Cb -0.01 -1.57 -0.06 0.00 2.01 0.00 0.00 34.83 35.21 1dmp s MET 46 CO -0.05 0.38 -0.00 0.96 -0.01 0.00 0.00 175.02 176.30 1dmp s ILE 47 N -0.34 2.56 0.18 2.53 -4.36 0.34 -4.94 121.20 117.18 1dmp s ILE 47 Ca 0.05 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.49 1dmp s ILE 47 Cb -0.09 -2.78 -0.04 0.00 1.25 0.00 0.00 42.46 40.81 1dmp s ILE 47 CO 0.00 -0.20 0.14 -0.83 0.24 0.00 0.00 174.94 174.30 1dmp s GLY 48 N -3.70 1.65 0.00 6.27 0.00 -1.26 -1.13 107.32 109.14 1dmp s GLY 48 Ca 0.34 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1dmp s GLY 48 CO 0.19 -1.28 0.00 0.61 0.00 0.00 0.00 173.10 172.62 1dmp n GLY 49 N -0.52 5.42 3.63 0.20 0.00 0.10 -4.95 105.19 109.07 1dmp n GLY 49 Ca -0.08 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 1dmp n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1dmp s ILE 50 N 0.94 4.83 -1.18 -0.61 2.07 -1.26 -3.09 121.20 122.89 1dmp s ILE 50 Ca 0.00 1.42 -0.06 0.00 -1.41 0.00 0.00 60.65 60.59 1dmp s ILE 50 Cb 0.00 -4.12 -0.02 0.00 0.13 0.00 0.00 42.46 38.45 1dmp s ILE 50 CO 0.00 -0.13 0.83 0.61 -1.91 0.00 0.00 174.94 174.34 1dmp n GLY 51 N 3.93 -0.70 0.00 1.50 0.00 -1.26 -4.99 105.19 103.67 1dmp n GLY 51 Ca 0.05 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1dmp n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dmp n GLY 52 N -1.43 4.08 3.86 -0.02 0.00 -1.18 -5.08 105.19 105.42 1dmp n GLY 52 Ca -0.19 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.07 1dmp n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dmp s PHE 53 N -2.00 3.66 0.10 1.61 0.40 -1.26 0.00 117.98 120.49 1dmp s PHE 53 Ca 0.00 0.81 0.10 0.00 -0.60 0.00 0.00 56.93 57.23 1dmp s PHE 53 Cb 0.00 -2.15 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 1dmp s PHE 53 CO 0.00 0.64 -0.25 0.96 0.70 0.00 0.00 175.22 177.27 1dmp s ILE 54 N -1.15 2.04 -0.14 0.64 -4.36 -0.29 -4.95 121.20 112.99 1dmp s ILE 54 Ca 0.24 -1.60 -0.28 0.00 -0.26 0.00 0.00 60.65 58.76 1dmp s ILE 54 Cb -0.15 -1.80 -0.01 0.00 1.25 0.00 0.00 42.46 41.75 1dmp s ILE 54 CO 0.12 0.10 0.93 -0.54 0.24 0.00 0.00 174.94 175.79 1dmp s LYS 55 N -1.82 4.36 0.12 0.37 -0.14 -1.26 -0.50 119.74 120.86 1dmp s LYS 55 Ca 0.11 1.22 0.00 0.00 -1.36 0.00 0.00 55.97 55.94 1dmp s LYS 55 Cb -0.10 -3.56 -0.04 0.00 -1.68 0.00 0.00 37.83 32.45 1dmp s LYS 55 CO 0.05 -0.33 0.00 0.54 -0.76 0.00 0.00 175.35 174.84 1dmp s VAL 56 N 2.13 0.38 0.00 3.17 0.11 0.12 -4.50 120.40 121.81 1dmp s VAL 56 Ca 0.43 -1.91 0.08 0.00 -2.93 0.00 0.00 61.98 57.66 1dmp s VAL 56 Cb -0.17 -1.88 -0.02 0.00 -1.53 0.00 0.00 36.38 32.78 1dmp s VAL 56 CO 0.15 -0.66 -0.26 -0.13 -3.33 0.00 0.00 175.10 170.86 1dmp s ARG 57 N -3.95 1.98 -0.33 1.54 0.52 -0.01 -1.53 118.95 117.16 1dmp s ARG 57 Ca 0.18 -0.97 -0.15 0.00 -0.52 0.00 0.00 55.73 54.26 1dmp s ARG 57 Cb 0.07 -1.99 -0.02 0.00 0.52 0.00 0.00 34.95 33.54 1dmp s ARG 57 CO -0.02 0.54 0.37 -1.14 0.02 0.00 0.00 175.30 175.07 1dmp s GLN 58 N -0.80 3.64 -0.10 3.54 0.74 0.24 -0.73 119.66 126.19 1dmp s GLN 58 Ca 0.10 -0.33 -0.08 0.00 0.05 0.00 0.00 55.36 55.11 1dmp s GLN 58 Cb -0.10 -3.78 -0.04 0.00 1.10 0.00 0.00 33.01 30.19 1dmp s GLN 58 CO -0.00 -0.49 0.18 0.71 -0.55 0.00 0.00 175.29 175.14 1dmp s TYR 59 N 2.05 3.61 0.20 1.67 1.51 -0.60 -0.69 117.35 125.10 1dmp s TYR 59 Ca 0.13 0.57 0.10 0.00 -1.01 0.00 0.00 57.07 56.86 1dmp s TYR 59 Cb -0.16 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.67 1dmp s TYR 59 CO 0.12 0.72 -0.18 -0.51 -1.11 0.00 0.00 175.55 174.59 1dmp s ASP 60 N -1.11 3.78 -0.95 2.29 1.11 -1.26 -2.31 116.67 118.22 1dmp s ASP 60 Ca 0.17 -0.76 -0.05 0.00 0.18 0.00 0.00 52.55 52.08 1dmp s ASP 60 Cb -0.13 -0.45 0.01 0.00 1.07 0.00 0.00 42.92 43.42 1dmp s ASP 60 CO 0.06 0.11 0.70 0.00 1.18 0.00 0.00 175.17 177.22 1dmp n GLN 61 N 0.09 -4.85 -3.06 8.23 1.13 -0.95 -4.91 117.38 113.06 1dmp n GLN 61 Ca -0.11 0.57 -0.41 0.00 -1.94 0.00 0.00 57.00 55.11 1dmp n GLN 61 Cb 0.56 -4.80 -0.06 0.00 0.11 0.00 0.00 30.24 26.05 1dmp n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1dmp s ILE 62 N -3.15 4.94 -0.16 5.09 -1.09 -0.23 -4.76 121.20 121.84 1dmp s ILE 62 Ca 0.35 1.19 -0.29 0.00 -2.23 0.00 0.00 60.65 59.66 1dmp s ILE 62 Cb -0.15 -3.99 -0.05 0.00 -1.58 0.00 0.00 42.46 36.69 1dmp s ILE 62 CO 0.43 -0.03 1.84 -0.22 -1.23 0.00 0.00 174.94 175.73 1dmp s LEU 63 N 2.61 3.92 -0.01 2.97 0.20 -1.26 -2.85 118.68 124.25 1dmp s LEU 63 Ca 0.28 1.94 0.02 0.00 0.69 0.00 0.00 54.13 57.06 1dmp s LEU 63 Cb -0.15 -3.53 -0.03 0.00 -0.43 0.00 0.00 46.19 42.05 1dmp s LEU 63 CO 0.09 -1.37 -0.06 -0.51 -0.29 0.00 0.00 176.35 174.21 1dmp s ILE 64 N 5.74 3.74 -0.25 6.68 2.07 0.17 -4.45 121.20 134.90 1dmp s ILE 64 Ca 0.82 -0.67 0.01 0.00 -1.41 0.00 0.00 60.65 59.40 1dmp s ILE 64 Cb -0.31 -2.61 0.05 0.00 0.13 0.00 0.00 42.46 39.72 1dmp s ILE 64 CO 0.33 0.44 -0.10 -0.70 -1.91 0.00 0.00 174.94 173.01 1dmp s GLU 65 N -1.29 2.48 -0.12 3.50 2.12 -0.17 -1.43 118.70 123.79 1dmp s GLU 65 Ca 0.16 -1.20 0.16 0.00 0.36 0.00 0.00 54.97 54.45 1dmp s GLU 65 Cb -0.11 -2.90 0.31 0.00 0.26 0.00 0.00 34.13 31.69 1dmp s GLU 65 CO 0.06 -0.49 1.20 -0.89 -0.54 0.00 0.00 175.26 174.60 1dmp n ILE 66 N 4.53 1.82 0.00 -3.70 5.41 -1.26 0.35 119.36 126.50 1dmp n ILE 66 Ca -0.15 -1.96 0.00 0.00 1.00 0.00 0.00 62.75 61.64 1dmp n ILE 66 Cb 0.44 -0.11 0.00 0.00 -0.71 0.00 0.00 39.64 39.26 1dmp n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1dmp n GLY 68 N -1.02 0.00 2.99 7.39 0.00 -1.26 -4.66 105.19 108.63 1dmp n GLY 68 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1dmp n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1dmp s HIS 69 N 0.05 2.14 0.03 1.61 4.02 -1.26 -5.09 115.29 116.79 1dmp s HIS 69 Ca 0.00 -1.27 -0.17 0.00 1.02 0.00 0.00 55.06 54.64 1dmp s HIS 69 Cb 0.00 -1.56 -0.06 0.00 -1.02 0.00 0.00 32.58 29.94 1dmp s HIS 69 CO 0.00 -0.67 0.48 0.15 1.02 0.00 0.00 174.74 175.72 1dmp s LYS 70 N 1.49 4.06 0.11 1.40 1.02 -1.26 -4.11 119.74 122.46 1dmp s LYS 70 Ca 0.03 0.56 -0.15 0.00 0.02 0.00 0.00 55.97 56.43 1dmp s LYS 70 Cb -0.14 -3.24 0.03 0.00 -0.52 0.00 0.00 37.83 33.96 1dmp s LYS 70 CO -0.10 0.64 0.37 0.00 -0.92 0.00 0.00 175.35 175.35 1dmp s ALA 71 N -1.01 -0.85 -0.01 5.17 0.00 -0.52 -4.95 121.76 119.59 1dmp s ALA 71 Ca 0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 51.96 52.14 1dmp s ALA 71 Cb -0.18 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.57 1dmp s ALA 71 CO 0.16 -0.60 0.02 -1.50 0.00 0.00 0.00 175.76 173.83 1dmp s ILE 72 N -3.63 -0.02 0.00 0.00 2.07 -1.26 -0.66 121.20 117.70 1dmp s ILE 72 Ca 0.02 0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.34 1dmp s ILE 72 Cb 0.02 -0.04 0.00 0.00 0.13 0.00 0.00 42.46 42.57 1dmp s ILE 72 CO -0.11 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.57 1dmp n GLY 73 N 3.49 1.85 3.69 1.50 0.00 -1.13 -4.88 105.19 109.70 1dmp n GLY 73 Ca -0.18 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 1dmp n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dmp s THR 74 N -2.62 4.33 0.13 2.61 2.01 -1.26 -1.07 115.64 119.77 1dmp s THR 74 Ca 0.00 1.64 0.08 0.00 0.31 0.00 0.00 61.69 63.73 1dmp s THR 74 Cb 0.00 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 1dmp s THR 74 CO 0.00 -0.00 -0.12 0.68 -0.69 0.00 0.00 174.62 174.48 1dmp s VAL 75 N 2.21 3.16 -0.13 3.82 -7.23 -0.98 -4.53 120.40 116.72 1dmp s VAL 75 Ca 0.55 -1.46 -0.00 0.00 -1.81 0.00 0.00 61.98 59.26 1dmp s VAL 75 Cb -0.24 -2.50 -0.01 0.00 0.56 0.00 0.00 36.38 34.19 1dmp s VAL 75 CO 0.21 0.04 -0.13 -0.76 -0.31 0.00 0.00 175.10 174.15 1dmp s LEU 76 N -2.39 2.71 0.09 1.32 1.02 -1.06 -1.55 118.68 118.82 1dmp s LEU 76 Ca 0.21 -0.33 0.07 0.00 0.02 0.00 0.00 54.13 54.10 1dmp s LEU 76 Cb -0.10 -1.61 -0.04 0.00 0.02 0.00 0.00 46.19 44.46 1dmp s LEU 76 CO 0.13 0.17 -0.10 0.68 0.02 0.00 0.00 176.35 177.25 1dmp s VAL 77 N 0.35 3.38 -0.03 -1.59 -7.23 0.09 -1.77 120.40 113.59 1dmp s VAL 77 Ca -0.11 -1.19 -0.28 0.00 -1.81 0.00 0.00 61.98 58.58 1dmp s VAL 77 Cb -0.16 -2.56 0.09 0.00 0.56 0.00 0.00 36.38 34.31 1dmp s VAL 77 CO 0.06 0.16 1.28 0.61 -0.31 0.00 0.00 175.10 176.90 1dmp n GLY 78 N 0.86 0.20 3.17 2.32 0.00 -0.42 -0.83 105.19 110.48 1dmp n GLY 78 Ca -0.14 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.41 1dmp n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dmp n PRO 79 N -0.93 3.58 -3.92 1.61 -0.04 -1.26 -3.19 135.00 130.85 1dmp n PRO 79 Ca 0.05 -3.81 -0.33 0.00 -0.04 0.00 0.00 63.50 59.36 1dmp n PRO 79 Cb 0.58 -2.92 -0.05 0.00 -0.04 0.00 0.00 33.50 31.07 1dmp n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1dmp s THR 80 N 0.52 5.36 0.37 0.52 -1.32 -1.26 -5.00 115.64 114.83 1dmp s THR 80 Ca 0.40 -0.18 0.05 0.00 -1.21 0.00 0.00 61.69 60.74 1dmp s THR 80 Cb 0.03 -3.50 0.27 0.00 -1.51 0.00 0.00 72.50 67.79 1dmp s THR 80 CO 0.01 0.33 2.01 -0.65 -2.21 0.00 0.00 174.62 174.11 1dmp h PRO 81 N 3.85 0.72 -2.86 7.08 0.11 -1.99 -3.43 132.00 135.49 1dmp h PRO 81 Ca -0.49 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.44 1dmp h PRO 81 Cb 1.19 -0.16 -0.25 0.00 0.11 0.00 0.00 31.00 31.89 1dmp h PRO 81 CO 0.68 0.48 -0.30 0.54 -0.21 0.00 0.00 178.00 179.19 1dmp s VAL 82 N -5.65 -0.00 0.27 3.15 0.11 -1.26 -5.05 120.40 111.97 1dmp s VAL 82 Ca -0.09 0.01 -0.26 0.00 -2.93 0.00 0.00 61.98 58.71 1dmp s VAL 82 Cb 0.18 -0.51 -0.09 0.00 -1.53 0.00 0.00 36.38 34.43 1dmp s VAL 82 CO 0.76 0.00 0.89 0.20 -3.33 0.00 0.00 175.10 173.62 1dmp s ASN 83 N 0.27 7.35 -0.02 3.54 0.01 -1.26 -4.74 114.94 120.09 1dmp s ASN 83 Ca -0.01 1.77 -0.00 0.00 -0.71 0.00 0.00 52.86 53.91 1dmp s ASN 83 Cb -0.03 -2.55 0.03 0.00 0.41 0.00 0.00 41.25 39.11 1dmp s ASN 83 CO -0.00 0.02 0.04 -0.63 -1.51 0.00 0.00 177.10 175.02 1dmp s ILE 84 N -1.47 -0.05 -0.31 0.60 1.01 -0.42 -0.27 121.20 120.29 1dmp s ILE 84 Ca 0.46 0.17 -0.04 0.00 0.00 0.00 0.00 60.65 61.24 1dmp s ILE 84 Cb -0.20 -0.09 0.04 0.00 0.01 0.00 0.00 42.46 42.22 1dmp s ILE 84 CO 0.25 0.07 0.04 -0.63 0.00 0.00 0.00 174.94 174.67 1dmp s ILE 85 N 0.87 3.34 0.00 2.92 -1.09 -0.39 -0.96 121.20 125.89 1dmp s ILE 85 Ca -0.07 -1.19 0.00 0.00 -2.23 0.00 0.00 60.65 57.16 1dmp s ILE 85 Cb -0.10 -2.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 1dmp s ILE 85 CO -0.03 -0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.22 1dmp n GLY 86 N 4.72 1.79 0.18 6.18 0.00 -1.24 -0.12 105.19 116.70 1dmp n GLY 86 Ca -0.13 -2.06 0.12 0.00 0.00 0.00 0.00 46.02 43.95 1dmp n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1dmp h ARG 87 N 0.00 0.00 -0.40 1.61 3.08 -0.97 -0.83 114.38 116.87 1dmp h ARG 87 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.17 1dmp h ARG 87 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1dmp h ARG 87 CO 0.00 0.00 0.43 -2.95 -1.07 0.00 0.00 179.97 176.38 1dmp h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.79 -2.35 115.58 117.42 1dmp h ASN 88 Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.17 1dmp h ASN 88 Cb 0.92 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.13 1dmp h ASN 88 CO 0.00 0.00 -1.76 0.18 0.07 0.00 0.00 177.43 175.92 1dmp n LEU 89 N -3.73 0.69 0.02 6.14 4.32 -0.78 -4.45 117.00 119.22 1dmp n LEU 89 Ca 0.07 -0.02 0.06 0.00 -0.02 0.00 0.00 56.01 56.11 1dmp n LEU 89 Cb 0.61 0.09 0.47 0.00 -1.62 0.00 0.00 43.42 42.98 1dmp n LEU 89 CO 0.28 0.38 1.15 -0.07 -1.22 0.00 0.00 177.39 177.91 1dmp h LEU 90 N 0.00 0.37 -1.73 2.23 3.38 -1.14 0.21 115.31 118.64 1dmp h LEU 90 Ca -0.30 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1dmp h LEU 90 Cb 1.63 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1dmp h LEU 90 CO 0.00 0.26 0.00 0.71 0.09 0.00 0.00 178.44 179.50 1dmp h THR 91 N 0.44 0.00 0.07 0.22 1.35 -1.64 0.28 112.91 113.63 1dmp h THR 91 Ca 0.15 -0.31 -0.30 0.00 -0.55 0.00 0.00 66.41 65.40 1dmp h THR 91 Cb 0.07 1.23 -0.02 0.00 -1.73 0.00 0.00 68.15 67.69 1dmp h THR 91 CO -0.04 0.00 -1.61 1.56 -0.25 0.00 0.00 175.52 175.18 1dmp h GLN 92 N 0.00 0.15 0.00 4.72 4.20 -0.82 -3.10 115.11 120.27 1dmp h GLN 92 Ca 0.00 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1dmp h GLN 92 Cb 0.33 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.20 1dmp h GLN 92 CO 0.00 0.93 0.00 -0.89 -0.67 0.00 0.00 178.83 178.20 1dmp n ILE 93 N -3.32 0.79 -2.23 2.54 -0.00 -0.86 -4.87 119.36 111.40 1dmp n ILE 93 Ca -0.18 0.15 -0.00 0.00 -0.00 0.00 0.00 62.75 62.73 1dmp n ILE 93 Cb 1.04 -1.01 0.00 0.00 -0.00 0.00 0.00 39.64 39.66 1dmp n ILE 93 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1dmp n GLY 94 N 0.25 0.61 3.81 7.39 0.00 -0.80 -5.01 105.19 111.44 1dmp n GLY 94 Ca 0.03 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 1dmp n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dmp s ALA 95 N -2.44 2.92 0.02 4.61 0.00 0.02 -5.03 121.76 121.86 1dmp s ALA 95 Ca 0.00 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.51 1dmp s ALA 95 Cb -0.00 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 1dmp s ALA 95 CO 0.00 -0.20 -0.10 0.99 0.00 0.00 0.00 175.76 176.46 1dmp s THR 96 N -2.09 0.74 -0.11 0.00 2.01 -1.26 -4.79 115.64 110.15 1dmp s THR 96 Ca 0.65 -0.67 -0.03 0.00 0.31 0.00 0.00 61.69 61.95 1dmp s THR 96 Cb -0.14 -0.67 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 1dmp s THR 96 CO 0.19 0.01 0.02 -0.22 -0.69 0.00 0.00 174.62 173.93 1dmp s LEU 97 N -0.74 3.66 -0.10 4.42 0.20 -1.26 -5.07 118.68 119.79 1dmp s LEU 97 Ca -0.00 0.15 0.02 0.00 0.69 0.00 0.00 54.13 54.99 1dmp s LEU 97 Cb -0.06 -1.86 0.01 0.00 -0.43 0.00 0.00 46.19 43.86 1dmp s LEU 97 CO 0.00 0.34 -0.15 0.20 -0.29 0.00 0.00 176.35 176.45 1dmp s ASN 98 N -0.65 2.32 0.00 3.68 -0.87 -1.26 -5.29 114.94 112.86 1dmp s ASN 98 Ca 0.11 -0.40 0.00 0.00 -1.57 0.00 0.00 52.86 51.00 1dmp s ASN 98 Cb -0.12 -1.04 0.00 0.00 -0.02 0.00 0.00 41.25 40.07 1dmp s ASN 98 CO 0.02 0.03 0.00 2.22 -2.57 0.00 0.00 177.10 176.81