#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 1.64 -0.02 -0.52 0.74 -1.26 -5.10 119.66 115.14 1dmp s GLN 2 Ca 0.00 -0.40 0.06 0.00 0.05 0.00 0.00 55.36 55.07 1dmp s GLN 2 Cb 0.00 -1.37 -0.01 0.00 1.10 0.00 0.00 33.01 32.73 1dmp s GLN 2 CO 0.00 0.03 -0.21 0.14 -0.55 0.00 0.00 175.29 174.70 1dmp s VAL 3 N 0.63 1.70 0.59 1.34 -7.23 -1.26 -5.12 120.40 111.06 1dmp s VAL 3 Ca -0.14 -0.91 0.02 0.00 -1.81 0.00 0.00 61.98 59.14 1dmp s VAL 3 Cb -0.15 -1.42 0.07 0.00 0.56 0.00 0.00 36.38 35.43 1dmp s VAL 3 CO 0.03 0.48 0.83 0.42 -0.31 0.00 0.00 175.10 176.55 1dmp s THR 4 N -0.41 2.48 -0.27 5.32 -4.23 -1.26 -5.04 115.64 112.23 1dmp s THR 4 Ca 0.06 -0.70 0.09 0.00 -1.18 0.00 0.00 61.69 59.95 1dmp s THR 4 Cb -0.09 -2.78 0.45 0.00 1.34 0.00 0.00 72.50 71.42 1dmp s THR 4 CO -0.00 0.00 1.28 0.18 -0.54 0.00 0.00 174.62 175.54 1dmp n LEU 5 N -2.44 3.97 0.20 4.79 4.77 -1.26 -4.52 117.00 122.51 1dmp n LEU 5 Ca 0.11 -4.22 0.08 0.00 -0.03 0.00 0.00 56.01 51.95 1dmp n LEU 5 Cb 0.60 -0.50 0.26 0.00 -2.33 0.00 0.00 43.42 41.46 1dmp n LEU 5 CO 0.43 1.65 0.70 -0.50 -1.33 0.00 0.00 177.39 178.34 1dmp h TRP 6 N 1.48 0.00 -2.90 -1.77 4.06 -2.06 -3.44 115.95 111.33 1dmp h TRP 6 Ca 0.20 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.63 1dmp h TRP 6 Cb 1.30 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.33 1dmp h TRP 6 CO 0.87 0.27 -0.53 -0.65 -3.56 0.00 0.00 178.44 174.84 1dmp s GLN 7 N -3.33 1.84 0.12 0.49 -1.52 -1.26 -5.12 119.66 110.88 1dmp s GLN 7 Ca 0.03 -2.10 -0.34 0.00 -1.95 0.00 0.00 55.36 51.00 1dmp s GLN 7 Cb 0.08 -0.55 -0.13 0.00 -0.22 0.00 0.00 33.01 32.19 1dmp s GLN 7 CO 0.68 -0.44 1.67 0.54 -0.25 0.00 0.00 175.29 177.48 1dmp n ARG 8 N -0.83 2.26 -2.48 2.91 1.74 -1.26 -4.92 116.66 114.07 1dmp n ARG 8 Ca -0.04 0.82 -0.39 0.00 -0.77 0.00 0.00 57.85 57.46 1dmp n ARG 8 Cb 0.65 -2.62 -0.03 0.00 -1.02 0.00 0.00 32.46 29.44 1dmp n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1dmp s PRO 9 N 1.66 3.33 -0.09 5.56 0.04 -1.26 -4.94 135.00 139.30 1dmp s PRO 9 Ca 0.81 -0.71 0.02 0.00 0.04 0.00 0.00 61.00 61.16 1dmp s PRO 9 Cb -0.65 -4.96 -0.02 0.00 0.04 0.00 0.00 34.50 28.91 1dmp s PRO 9 CO 0.40 -2.34 -0.14 -0.51 0.04 0.00 0.00 177.00 174.45 1dmp s LEU 10 N 5.91 2.70 0.10 -3.56 1.43 -1.26 -0.65 118.68 123.35 1dmp s LEU 10 Ca 0.46 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.33 1dmp s LEU 10 Cb -0.03 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1dmp s LEU 10 CO -0.01 0.26 -0.10 0.68 0.23 0.00 0.00 176.35 177.41 1dmp s VAL 11 N -0.19 0.95 -0.01 -1.59 -7.23 -0.74 -4.95 120.40 106.64 1dmp s VAL 11 Ca -0.00 -1.68 -0.30 0.00 -1.81 0.00 0.00 61.98 58.19 1dmp s VAL 11 Cb -0.13 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 1dmp s VAL 11 CO 0.03 -0.58 1.08 -0.89 -0.31 0.00 0.00 175.10 174.43 1dmp s THR 12 N -2.53 4.54 0.19 5.32 2.01 -1.26 -0.70 115.64 123.20 1dmp s THR 12 Ca 0.06 1.82 0.05 0.00 0.31 0.00 0.00 61.69 63.93 1dmp s THR 12 Cb -0.02 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 1dmp s THR 12 CO -0.00 0.10 0.23 0.27 -0.69 0.00 0.00 174.62 174.53 1dmp s ILE 13 N 1.34 4.86 -0.14 1.82 -4.36 0.69 -4.40 121.20 121.00 1dmp s ILE 13 Ca 0.54 -1.02 0.00 0.00 -0.26 0.00 0.00 60.65 59.91 1dmp s ILE 13 Cb -0.23 -3.55 -0.01 0.00 1.25 0.00 0.00 42.46 39.92 1dmp s ILE 13 CO 0.26 -0.20 -0.15 -0.75 0.24 0.00 0.00 174.94 174.35 1dmp s LYS 14 N -3.46 3.28 -0.09 0.37 2.20 -0.15 -2.34 119.74 119.56 1dmp s LYS 14 Ca 0.33 -0.73 -0.07 0.00 -0.36 0.00 0.00 55.97 55.14 1dmp s LYS 14 Cb -0.10 -2.60 0.03 0.00 -1.51 0.00 0.00 37.83 33.65 1dmp s LYS 14 CO 0.26 0.12 0.22 -1.50 -0.36 0.00 0.00 175.35 174.09 1dmp s ILE 15 N 0.58 -0.01 -0.77 5.43 2.07 0.25 -2.61 121.20 126.13 1dmp s ILE 15 Ca -0.09 0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.19 1dmp s ILE 15 Cb -0.16 -0.32 0.00 0.00 0.13 0.00 0.00 42.46 42.11 1dmp s ILE 15 CO 0.03 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.69 1dmp n GLY 16 N 3.25 0.83 2.07 1.50 0.00 -1.26 -0.78 105.19 110.80 1dmp n GLY 16 Ca -0.16 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.78 0.84 3.72 -0.02 0.00 -1.26 -4.98 105.19 102.71 1dmp n GLY 17 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.31 2.65 -0.09 1.61 -0.21 0.04 -5.12 119.66 118.24 1dmp s GLN 18 Ca 0.00 -0.82 -0.01 0.00 0.02 0.00 0.00 55.36 54.55 1dmp s GLN 18 Cb 0.00 -2.59 -0.03 0.00 1.00 0.00 0.00 33.01 31.39 1dmp s GLN 18 CO 0.00 0.54 -0.03 -0.51 -2.12 0.00 0.00 175.29 173.17 1dmp s LEU 19 N -2.43 3.37 0.09 2.90 2.01 -1.26 -0.59 118.68 122.77 1dmp s LEU 19 Ca 0.27 0.04 -0.13 0.00 0.01 0.00 0.00 54.13 54.32 1dmp s LEU 19 Cb -0.12 -1.76 0.02 0.00 0.01 0.00 0.00 46.19 44.34 1dmp s LEU 19 CO 0.20 0.34 0.29 -0.54 1.01 0.00 0.00 176.35 177.65 1dmp s LYS 20 N -0.65 0.92 0.06 1.70 1.02 -0.99 -4.99 119.74 116.81 1dmp s LYS 20 Ca 0.10 -0.76 0.05 0.00 0.02 0.00 0.00 55.97 55.38 1dmp s LYS 20 Cb -0.12 0.39 -0.04 0.00 -0.52 0.00 0.00 37.83 37.55 1dmp s LYS 20 CO 0.02 -0.32 -0.06 -1.21 -0.92 0.00 0.00 175.35 172.86 1dmp s GLU 21 N -3.55 2.41 0.15 1.68 2.02 -1.26 -0.22 118.70 119.93 1dmp s GLU 21 Ca 0.02 -0.85 0.03 0.00 0.02 0.00 0.00 54.97 54.19 1dmp s GLU 21 Cb 0.02 -2.45 -0.04 0.00 0.10 0.00 0.00 34.13 31.76 1dmp s GLU 21 CO -0.10 0.56 -0.06 0.00 0.02 0.00 0.00 175.26 175.68 1dmp s ALA 22 N -1.15 1.33 0.03 5.21 0.00 0.12 -4.49 121.76 122.81 1dmp s ALA 22 Ca 0.21 -1.50 -0.11 0.00 0.00 0.00 0.00 51.96 50.55 1dmp s ALA 22 Cb -0.11 0.25 -0.06 0.00 0.00 0.00 0.00 23.12 23.20 1dmp s ALA 22 CO 0.12 -0.21 0.37 -1.17 0.00 0.00 0.00 175.76 174.88 1dmp s LEU 23 N -3.15 4.41 -0.26 0.00 2.96 0.10 -1.80 118.68 120.94 1dmp s LEU 23 Ca 0.18 0.82 -0.18 0.00 -0.22 0.00 0.00 54.13 54.74 1dmp s LEU 23 Cb 0.04 -2.73 -0.03 0.00 0.50 0.00 0.00 46.19 43.98 1dmp s LEU 23 CO 0.01 0.26 0.51 -0.76 -1.32 0.00 0.00 176.35 175.05 1dmp s LEU 24 N -1.49 4.05 -0.22 -0.68 1.43 0.18 -0.50 118.68 121.45 1dmp s LEU 24 Ca 0.27 0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 53.88 1dmp s LEU 24 Cb -0.15 -2.65 0.06 0.00 0.03 0.00 0.00 46.19 43.48 1dmp s LEU 24 CO 0.15 -0.28 -0.03 -0.62 0.23 0.00 0.00 176.35 175.79 1dmp s ASP 25 N 1.55 3.57 0.02 2.29 -1.08 -0.46 -4.82 116.67 117.74 1dmp s ASP 25 Ca 0.21 -1.06 0.21 0.00 -0.52 0.00 0.00 52.55 51.39 1dmp s ASP 25 Cb -0.16 -1.03 0.87 0.00 -1.46 0.00 0.00 42.92 41.14 1dmp s ASP 25 CO 0.09 -0.25 1.65 0.35 0.52 0.00 0.00 175.17 177.54 1dmp n THR 26 N 4.77 0.62 0.80 1.71 -2.24 -1.26 -3.13 114.28 115.55 1dmp n THR 26 Ca -0.11 0.14 0.12 0.00 -2.27 0.00 0.00 64.05 61.93 1dmp n THR 26 Cb 0.45 -0.82 0.13 0.00 -2.10 0.00 0.00 70.33 67.99 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 0.58 1.17 3.47 3.38 0.00 -1.26 -4.81 105.19 107.72 1dmp n GLY 27 Ca 0.05 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.84 2.77 -2.01 4.61 0.00 -1.18 -4.98 121.76 119.13 1dmp s ALA 28 Ca 0.31 -0.90 0.25 0.00 0.00 0.00 0.00 51.96 51.61 1dmp s ALA 28 Cb 0.21 -1.19 0.39 0.00 0.00 0.00 0.00 23.12 22.52 1dmp s ALA 28 CO 0.30 0.41 1.34 -0.25 0.00 0.00 0.00 175.76 177.56 1dmp n ASP 29 N 2.86 1.64 -4.24 0.00 8.00 -1.26 -0.09 116.55 123.46 1dmp n ASP 29 Ca -0.18 -1.29 -0.14 0.00 0.71 0.00 0.00 54.79 53.90 1dmp n ASP 29 Cb 0.53 0.27 -0.10 0.00 -0.02 0.00 0.00 41.12 41.80 1dmp n ASP 29 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1dmp s ASP 30 N -2.43 1.31 -0.17 -2.24 1.11 -1.26 -3.50 116.67 109.49 1dmp s ASP 30 Ca 0.23 -1.14 -0.10 0.00 0.18 0.00 0.00 52.55 51.72 1dmp s ASP 30 Cb 0.19 0.10 -0.05 0.00 1.07 0.00 0.00 42.92 44.23 1dmp s ASP 30 CO 0.52 -0.53 0.16 -0.89 1.18 0.00 0.00 175.17 175.60 1dmp s THR 31 N -3.61 5.42 -0.08 -1.27 2.01 -1.26 -3.47 115.64 113.38 1dmp s THR 31 Ca 0.22 0.25 -0.01 0.00 0.31 0.00 0.00 61.69 62.47 1dmp s THR 31 Cb 0.06 -3.48 0.03 0.00 0.01 0.00 0.00 72.50 69.12 1dmp s THR 31 CO 0.03 0.49 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.74 1dmp s VAL 32 N -0.05 0.53 0.05 3.82 1.01 0.10 -2.14 120.40 123.73 1dmp s VAL 32 Ca 0.11 0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.19 1dmp s VAL 32 Cb -0.12 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.59 1dmp s VAL 32 CO 0.01 0.28 -0.26 -0.76 0.00 0.00 0.00 175.10 174.36 1dmp s LEU 33 N 1.76 2.18 1.19 3.92 1.02 -0.49 -0.00 118.68 128.25 1dmp s LEU 33 Ca 0.02 -0.60 -0.17 0.00 0.02 0.00 0.00 54.13 53.40 1dmp s LEU 33 Cb -0.13 -1.28 0.22 0.00 0.02 0.00 0.00 46.19 45.02 1dmp s LEU 33 CO -0.05 0.25 0.48 -0.62 0.02 0.00 0.00 176.35 176.43 1dmp n GLU 34 N 1.71 -2.59 -2.18 1.70 1.02 -1.26 -1.42 120.64 117.63 1dmp n GLU 34 Ca -0.17 -0.75 -0.42 0.00 -0.02 0.00 0.00 57.16 55.80 1dmp n GLU 34 Cb 0.52 -1.83 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 1dmp n GLU 34 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1dmp s GLU 35 N -3.98 4.31 0.23 3.49 0.41 -1.23 -4.30 118.70 117.63 1dmp s GLU 35 Ca 0.58 2.06 -0.13 0.00 -0.41 0.00 0.00 54.97 57.07 1dmp s GLU 35 Cb -0.15 -3.31 0.00 0.00 -1.78 0.00 0.00 34.13 28.89 1dmp s GLU 35 CO 0.59 -0.46 0.47 0.00 -0.49 0.00 0.00 175.26 175.37 1dmp s MET 36 N 1.36 1.48 -0.62 1.61 0.23 -1.26 -5.05 119.30 117.05 1dmp s MET 36 Ca 0.65 -1.18 -0.21 0.00 -1.03 0.00 0.00 55.69 53.92 1dmp s MET 36 Cb -0.36 0.47 0.09 0.00 -1.53 0.00 0.00 34.83 33.50 1dmp s MET 36 CO 0.30 -0.61 0.82 0.45 -2.03 0.00 0.00 175.02 173.94 1dmp s SER 37 N -2.99 6.18 -0.04 -1.18 0.15 -1.26 -4.99 113.70 109.58 1dmp s SER 37 Ca 0.20 -1.22 0.07 0.00 0.70 0.00 0.00 55.95 55.69 1dmp s SER 37 Cb -0.00 -2.35 -0.02 0.00 -1.71 0.00 0.00 66.02 61.94 1dmp s SER 37 CO 0.06 -1.25 -0.25 -0.76 1.20 0.00 0.00 173.24 172.24 1dmp s LEU 38 N 3.28 2.06 0.45 3.45 1.43 -1.26 -4.87 118.68 123.22 1dmp s LEU 38 Ca 0.16 -0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 52.73 1dmp s LEU 38 Cb -0.21 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 1dmp s LEU 38 CO 0.08 0.28 0.74 -2.16 0.23 0.00 0.00 176.35 175.52 1dmp s PRO 39 N -0.39 3.56 0.00 1.29 0.04 -1.26 -5.02 135.00 133.22 1dmp s PRO 39 Ca 0.03 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.22 1dmp s PRO 39 Cb -0.12 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1dmp s PRO 39 CO 0.01 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.34 1dmp n GLY 40 N -2.04 0.91 3.93 0.56 0.00 -1.26 -5.05 105.19 102.24 1dmp n GLY 40 Ca -0.00 -2.12 -0.20 0.00 0.00 0.00 0.00 46.02 43.71 1dmp n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dmp s ARG 41 N -1.02 2.62 0.09 1.61 1.81 -1.26 -5.13 118.95 117.67 1dmp s ARG 41 Ca 0.00 -1.45 -0.23 0.00 -1.72 0.00 0.00 55.73 52.33 1dmp s ARG 41 Cb 0.00 -2.51 0.06 0.00 -0.45 0.00 0.00 34.95 32.05 1dmp s ARG 41 CO 0.00 -0.25 0.55 1.67 -0.68 0.00 0.00 175.30 176.59 1dmp s TRP 42 N -2.44 -0.46 -0.00 -0.53 1.48 -1.26 -4.75 118.94 110.98 1dmp s TRP 42 Ca 0.50 0.40 0.03 0.00 -1.06 0.00 0.00 56.10 55.97 1dmp s TRP 42 Cb -0.05 0.42 -0.03 0.00 -1.16 0.00 0.00 33.47 32.64 1dmp s TRP 42 CO 0.30 -0.72 -0.05 -1.59 -4.06 0.00 0.00 176.95 170.82 1dmp s LYS 43 N -3.00 2.61 0.27 3.25 -2.85 -0.69 -4.80 119.74 114.53 1dmp s LYS 43 Ca -0.02 -0.69 -0.30 0.00 -1.00 0.00 0.00 55.97 53.96 1dmp s LYS 43 Cb -0.00 -2.54 -0.14 0.00 -2.06 0.00 0.00 37.83 33.09 1dmp s LYS 43 CO -0.06 0.61 1.27 -2.30 0.10 0.00 0.00 175.35 174.97 1dmp n PRO 44 N 1.56 1.80 -3.63 1.78 -0.02 -1.26 -0.23 135.00 135.00 1dmp n PRO 44 Ca -0.15 0.64 -0.13 0.00 -2.02 0.00 0.00 63.50 61.84 1dmp n PRO 44 Cb 0.53 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 1dmp n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1dmp s LYS 45 N -1.00 0.99 -0.05 -0.52 2.20 -0.62 -4.87 119.74 115.87 1dmp s LYS 45 Ca 0.64 -0.39 0.04 0.00 -0.36 0.00 0.00 55.97 55.89 1dmp s LYS 45 Cb -0.67 0.44 -0.00 0.00 -1.51 0.00 0.00 37.83 36.10 1dmp s LYS 45 CO 0.55 -0.36 -0.17 1.41 -0.36 0.00 0.00 175.35 176.42 1dmp s MET 46 N -2.75 1.94 0.01 4.03 -2.45 -1.26 0.29 119.30 119.11 1dmp s MET 46 Ca -0.04 -0.62 -0.02 0.00 -1.25 0.00 0.00 55.69 53.76 1dmp s MET 46 Cb -0.00 -1.64 -0.01 0.00 1.25 0.00 0.00 34.83 34.43 1dmp s MET 46 CO -0.04 0.21 0.04 0.96 1.05 0.00 0.00 175.02 177.23 1dmp s ILE 47 N 0.16 0.08 0.07 10.11 -4.36 0.98 -4.95 121.20 123.30 1dmp s ILE 47 Ca -0.07 -0.64 0.09 0.00 -0.26 0.00 0.00 60.65 59.76 1dmp s ILE 47 Cb -0.13 -0.27 -0.03 0.00 1.25 0.00 0.00 42.46 43.28 1dmp s ILE 47 CO 0.03 -0.35 -0.23 -0.83 0.24 0.00 0.00 174.94 173.80 1dmp s GLY 48 N -1.10 1.53 0.00 6.27 0.00 -1.26 -0.25 107.32 112.51 1dmp s GLY 48 Ca -0.12 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.31 1dmp s GLY 48 CO -0.00 -1.21 0.00 0.61 0.00 0.00 0.00 173.10 172.50 1dmp n GLY 49 N 1.42 5.42 3.77 0.20 0.00 0.11 -4.97 105.19 111.14 1dmp n GLY 49 Ca -0.17 -1.29 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 1dmp n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dmp s ILE 50 N 0.61 3.02 0.00 -0.61 1.09 -1.26 -1.78 121.20 122.27 1dmp s ILE 50 Ca 0.00 0.87 0.00 0.00 -1.10 0.00 0.00 60.65 60.42 1dmp s ILE 50 Cb 0.00 -3.50 0.00 0.00 -1.06 0.00 0.00 42.46 37.90 1dmp s ILE 50 CO 0.00 0.09 0.00 0.61 -0.10 0.00 0.00 174.94 175.54 1dmp n GLY 51 N 0.66 1.94 0.00 6.18 0.00 -1.26 -4.88 105.19 107.83 1dmp n GLY 51 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 0.45 3.23 -0.02 0.00 -0.73 -5.09 105.19 103.03 1dmp n GLY 52 Ca 0.00 -1.53 -0.26 0.00 0.00 0.00 0.00 46.02 44.23 1dmp n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1dmp s PHE 53 N -3.03 1.82 0.17 1.61 -0.71 -1.26 0.08 117.98 116.66 1dmp s PHE 53 Ca 0.00 -0.36 0.08 0.00 -1.04 0.00 0.00 56.93 55.61 1dmp s PHE 53 Cb 0.00 -1.12 -0.04 0.00 -1.21 0.00 0.00 43.02 40.65 1dmp s PHE 53 CO 0.00 0.04 -0.02 0.96 -1.34 0.00 0.00 175.22 174.85 1dmp s ILE 54 N -0.66 3.59 -0.14 -4.49 -4.36 0.65 -4.89 121.20 110.91 1dmp s ILE 54 Ca 0.08 -1.48 -0.04 0.00 -0.26 0.00 0.00 60.65 58.95 1dmp s ILE 54 Cb -0.08 -2.80 -0.03 0.00 1.25 0.00 0.00 42.46 40.79 1dmp s ILE 54 CO 0.01 -0.11 0.00 -0.54 0.24 0.00 0.00 174.94 174.54 1dmp s LYS 55 N -2.91 3.54 0.29 0.37 1.02 -1.26 -0.01 119.74 120.78 1dmp s LYS 55 Ca 0.27 -0.43 0.07 0.00 0.02 0.00 0.00 55.97 55.90 1dmp s LYS 55 Cb -0.09 -2.96 -0.06 0.00 -0.52 0.00 0.00 37.83 34.20 1dmp s LYS 55 CO 0.18 0.40 -0.07 0.14 -0.92 0.00 0.00 175.35 175.08 1dmp s VAL 56 N -0.05 1.77 -0.00 3.17 -7.23 0.14 -4.50 120.40 113.71 1dmp s VAL 56 Ca 0.03 -2.14 -0.06 0.00 -1.81 0.00 0.00 61.98 58.00 1dmp s VAL 56 Cb -0.13 -2.49 -0.05 0.00 0.56 0.00 0.00 36.38 34.28 1dmp s VAL 56 CO 0.02 -0.28 0.25 -0.13 -0.31 0.00 0.00 175.10 174.65 1dmp s ARG 57 N -3.70 3.56 -0.13 4.82 3.00 0.18 -1.59 118.95 125.09 1dmp s ARG 57 Ca 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 55.73 55.92 1dmp s ARG 57 Cb 0.03 -3.09 -0.02 0.00 0.00 0.00 0.00 34.95 31.88 1dmp s ARG 57 CO 0.13 0.66 -0.12 -1.14 0.00 0.00 0.00 175.30 174.83 1dmp s GLN 58 N -1.74 3.41 0.13 3.54 0.74 0.68 -0.64 119.66 125.77 1dmp s GLN 58 Ca 0.27 -0.66 0.11 0.00 0.05 0.00 0.00 55.36 55.12 1dmp s GLN 58 Cb -0.13 -2.66 -0.04 0.00 1.10 0.00 0.00 33.01 31.28 1dmp s GLN 58 CO 0.16 0.23 -0.26 0.71 -0.55 0.00 0.00 175.29 175.58 1dmp s TYR 59 N 0.32 2.34 0.11 1.67 1.51 -0.53 -1.70 117.35 121.08 1dmp s TYR 59 Ca -0.10 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 55.63 1dmp s TYR 59 Cb -0.16 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.39 1dmp s TYR 59 CO 0.05 0.35 -0.08 -0.51 -1.11 0.00 0.00 175.55 174.25 1dmp s ASP 60 N -2.08 1.37 -1.50 2.29 1.11 -1.26 -0.82 116.67 115.78 1dmp s ASP 60 Ca 0.15 -0.98 -0.10 0.00 0.18 0.00 0.00 52.55 51.80 1dmp s ASP 60 Cb -0.10 0.05 0.07 0.00 1.07 0.00 0.00 42.92 44.01 1dmp s ASP 60 CO 0.07 -0.40 0.80 0.00 1.18 0.00 0.00 175.17 176.82 1dmp n GLN 61 N 0.01 -4.61 -3.70 8.23 6.02 -1.14 -4.86 117.38 117.33 1dmp n GLN 61 Ca -0.12 0.53 -0.36 0.00 -0.01 0.00 0.00 57.00 57.03 1dmp n GLN 61 Cb 0.60 -5.20 -0.07 0.00 1.02 0.00 0.00 30.24 26.59 1dmp n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1dmp s ILE 62 N -3.47 5.37 -0.19 5.09 -1.09 -0.52 -4.75 121.20 121.63 1dmp s ILE 62 Ca 0.45 0.36 -0.25 0.00 -2.23 0.00 0.00 60.65 58.98 1dmp s ILE 62 Cb -0.23 -3.52 -0.01 0.00 -1.58 0.00 0.00 42.46 37.12 1dmp s ILE 62 CO 0.85 0.49 0.82 -0.22 -1.23 0.00 0.00 174.94 175.66 1dmp s LEU 63 N -0.16 4.15 -0.02 2.97 2.96 -1.26 -2.06 118.68 125.26 1dmp s LEU 63 Ca 0.14 1.11 0.07 0.00 -0.22 0.00 0.00 54.13 55.23 1dmp s LEU 63 Cb -0.12 -3.20 -0.02 0.00 0.50 0.00 0.00 46.19 43.34 1dmp s LEU 63 CO 0.03 -0.43 -0.23 -0.63 -1.32 0.00 0.00 176.35 173.78 1dmp s ILE 64 N 2.34 2.34 -0.15 6.68 -1.09 0.63 -4.50 121.20 127.45 1dmp s ILE 64 Ca 0.37 -1.04 -0.03 0.00 -2.23 0.00 0.00 60.65 57.72 1dmp s ILE 64 Cb -0.16 -1.85 -0.02 0.00 -1.58 0.00 0.00 42.46 38.84 1dmp s ILE 64 CO 0.11 0.56 -0.06 -1.61 -1.23 0.00 0.00 174.94 172.71 1dmp s GLU 65 N -0.71 3.60 -0.06 2.79 2.02 -1.07 0.54 118.70 125.79 1dmp s GLU 65 Ca 0.11 -0.56 0.15 0.00 0.02 0.00 0.00 54.97 54.68 1dmp s GLU 65 Cb -0.10 -2.85 0.30 0.00 0.10 0.00 0.00 34.13 31.58 1dmp s GLU 65 CO -0.00 0.23 1.13 -0.89 0.02 0.00 0.00 175.26 175.75 1dmp n ILE 66 N 3.56 0.75 -0.45 -1.63 5.41 -1.26 -0.97 119.36 124.76 1dmp n ILE 66 Ca -0.18 -1.40 -0.32 0.00 1.00 0.00 0.00 62.75 61.85 1dmp n ILE 66 Cb 0.52 0.43 -0.08 0.00 -0.71 0.00 0.00 39.64 39.80 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 -0.26 1.13 3.26 7.39 0.00 -1.26 -4.82 105.19 110.63 1dmp n GLY 68 Ca 0.09 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 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 6.13 -0.73 0.26 1.61 4.02 -1.26 -5.15 115.29 120.17 1dmp s HIS 69 Ca 0.49 1.44 -0.03 0.00 1.02 0.00 0.00 55.06 57.98 1dmp s HIS 69 Cb 0.11 0.28 -0.05 0.00 -1.02 0.00 0.00 32.58 31.90 1dmp s HIS 69 CO 0.22 -0.44 0.49 0.15 1.02 0.00 0.00 174.74 176.18 1dmp s LYS 70 N 2.27 3.57 0.00 1.40 1.02 -1.26 -4.22 119.74 122.53 1dmp s LYS 70 Ca -0.04 -0.16 -0.09 0.00 0.02 0.00 0.00 55.97 55.70 1dmp s LYS 70 Cb -0.11 -2.72 0.01 0.00 -0.52 0.00 0.00 37.83 34.48 1dmp s LYS 70 CO -0.13 0.28 0.18 0.00 -0.92 0.00 0.00 175.35 174.77 1dmp s ALA 71 N -2.02 -0.44 -0.05 5.17 0.00 0.19 -4.89 121.76 119.73 1dmp s ALA 71 Ca 0.41 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.38 1dmp s ALA 71 Cb -0.11 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.13 1dmp s ALA 71 CO 0.30 -0.23 -0.15 0.42 0.00 0.00 0.00 175.76 176.10 1dmp s ILE 72 N -1.44 1.30 -0.05 0.00 -1.09 -1.25 -0.27 121.20 118.40 1dmp s ILE 72 Ca -0.14 -0.63 -0.25 0.00 -2.23 0.00 0.00 60.65 57.40 1dmp s ILE 72 Cb -0.07 -1.13 0.08 0.00 -1.58 0.00 0.00 42.46 39.76 1dmp s ILE 72 CO 0.02 0.38 1.13 0.61 -1.23 0.00 0.00 174.94 175.85 1dmp n GLY 73 N 3.29 0.20 3.72 6.18 0.00 -0.87 -4.85 105.19 112.85 1dmp n GLY 73 Ca -0.19 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.02 4.06 -0.11 2.61 2.01 -1.26 -1.44 115.64 119.49 1dmp s THR 74 Ca 0.27 1.55 0.02 0.00 0.31 0.00 0.00 61.69 63.84 1dmp s THR 74 Cb -0.00 -3.99 0.01 0.00 0.01 0.00 0.00 72.50 68.53 1dmp s THR 74 CO -0.02 0.16 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.22 1dmp s VAL 75 N 0.71 1.56 -0.13 3.82 1.01 0.00 -4.53 120.40 122.84 1dmp s VAL 75 Ca 0.56 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 1dmp s VAL 75 Cb -0.29 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1dmp s VAL 75 CO 0.31 0.45 0.10 -0.76 0.00 0.00 0.00 175.10 175.20 1dmp s LEU 76 N 0.92 4.12 -0.04 3.92 1.43 -0.91 -1.45 118.68 126.67 1dmp s LEU 76 Ca -0.08 0.31 0.04 0.00 -1.03 0.00 0.00 54.13 53.37 1dmp s LEU 76 Cb -0.15 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.06 1dmp s LEU 76 CO -0.01 0.34 -0.15 -0.69 0.23 0.00 0.00 176.35 176.07 1dmp s VAL 77 N -0.60 1.24 -1.08 -1.59 1.01 0.19 -1.40 120.40 118.17 1dmp s VAL 77 Ca 0.12 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1dmp s VAL 77 Cb -0.12 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.18 1dmp s VAL 77 CO 0.02 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.10 1dmp n GLY 78 N 3.24 -1.41 3.65 4.51 0.00 -0.51 -0.65 105.19 114.02 1dmp n GLY 78 Ca -0.18 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 1dmp n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dmp s PRO 79 N -1.46 4.10 0.07 1.61 0.04 -1.26 -3.53 135.00 134.57 1dmp s PRO 79 Ca 0.00 1.98 -0.17 0.00 0.04 0.00 0.00 61.00 62.85 1dmp s PRO 79 Cb 0.00 -3.96 0.03 0.00 0.04 0.00 0.00 34.50 30.61 1dmp s PRO 79 CO 0.00 -0.93 0.40 -0.08 0.04 0.00 0.00 177.00 176.43 1dmp s THR 80 N 4.22 0.06 -0.79 1.26 -1.32 -1.26 -4.94 115.64 112.87 1dmp s THR 80 Ca 0.70 -0.52 0.25 0.00 -1.21 0.00 0.00 61.69 60.90 1dmp s THR 80 Cb -0.29 -1.02 0.03 0.00 -1.51 0.00 0.00 72.50 69.71 1dmp s THR 80 CO 0.27 -0.29 1.37 -0.81 -2.21 0.00 0.00 174.62 172.95 1dmp n PRO 81 N 0.29 0.17 -4.57 7.08 -0.04 -1.26 -4.66 135.00 132.01 1dmp n PRO 81 Ca -0.18 0.05 -0.22 0.00 -0.04 0.00 0.00 63.50 63.11 1dmp n PRO 81 Cb 0.61 -1.60 -0.15 0.00 -0.04 0.00 0.00 33.50 32.32 1dmp n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1dmp s VAL 82 N -3.10 1.09 -0.07 0.52 1.01 -1.26 -5.00 120.40 113.59 1dmp s VAL 82 Ca 0.08 -0.68 -0.28 0.00 0.00 0.00 0.00 61.98 61.10 1dmp s VAL 82 Cb 0.15 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 1dmp s VAL 82 CO 0.71 0.24 0.92 0.20 0.00 0.00 0.00 175.10 177.16 1dmp s ASN 83 N -0.51 7.21 -0.15 3.32 0.01 -1.26 -4.51 114.94 119.04 1dmp s ASN 83 Ca 0.04 1.47 -0.02 0.00 -0.71 0.00 0.00 52.86 53.64 1dmp s ASN 83 Cb -0.06 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 39.06 1dmp s ASN 83 CO -0.00 -0.31 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.57 1dmp s ILE 84 N 1.44 3.48 -0.23 0.60 1.01 1.00 0.02 121.20 128.52 1dmp s ILE 84 Ca 0.46 -0.50 -0.17 0.00 0.00 0.00 0.00 60.65 60.44 1dmp s ILE 84 Cb -0.19 -2.50 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 1dmp s ILE 84 CO 0.21 0.50 0.48 -0.63 0.00 0.00 0.00 174.94 175.50 1dmp s ILE 85 N 0.44 5.12 0.44 2.92 -1.09 0.34 -0.72 121.20 128.65 1dmp s ILE 85 Ca -0.06 0.83 0.01 0.00 -2.23 0.00 0.00 60.65 59.20 1dmp s ILE 85 Cb -0.15 -3.80 0.01 0.00 -1.58 0.00 0.00 42.46 36.94 1dmp s ILE 85 CO 0.04 0.15 0.07 0.61 -1.23 0.00 0.00 174.94 174.58 1dmp n GLY 86 N 4.18 3.49 0.38 6.18 0.00 -1.23 -1.35 105.19 116.84 1dmp n GLY 86 Ca -0.06 -2.33 0.19 0.00 0.00 0.00 0.00 46.02 43.82 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 0.00 1.61 3.08 -0.64 -1.79 114.38 116.64 1dmp h ARG 87 Ca -0.35 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.61 1dmp h ARG 87 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 1dmp h ARG 87 CO 0.57 0.00 -0.46 -2.95 -1.07 0.00 0.00 179.97 176.06 1dmp h ASN 88 N 0.00 0.00 0.75 7.04 -1.07 -1.82 -2.36 115.58 118.11 1dmp h ASN 88 Ca 0.16 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 56.36 1dmp h ASN 88 Cb 1.01 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.23 1dmp h ASN 88 CO -0.00 0.46 -1.36 -0.07 0.07 0.00 0.00 177.43 176.53 1dmp h LEU 89 N 0.00 0.00 -0.67 6.14 3.38 -1.68 -3.37 115.31 119.11 1dmp h LEU 89 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1dmp h LEU 89 Cb 0.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1dmp h LEU 89 CO 0.06 0.59 -0.54 0.25 0.09 0.00 0.00 178.44 178.90 1dmp h LEU 90 N 0.00 0.39 -1.68 1.67 5.85 -1.29 0.17 115.31 120.42 1dmp h LEU 90 Ca -0.16 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1dmp h LEU 90 Cb 1.59 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 1dmp h LEU 90 CO 0.05 0.85 0.21 0.74 -0.34 0.00 0.00 178.44 179.96 1dmp h THR 91 N 0.27 1.09 0.05 1.05 2.02 -1.63 -0.04 112.91 115.72 1dmp h THR 91 Ca 0.01 -0.16 -0.27 0.00 0.77 0.00 0.00 66.41 66.75 1dmp h THR 91 Cb 1.03 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1dmp h THR 91 CO 0.09 0.08 -1.44 1.56 0.37 0.00 0.00 175.52 176.18 1dmp h GLN 92 N 0.44 0.10 -0.26 6.66 4.20 -0.87 -3.19 115.11 122.20 1dmp h GLN 92 Ca 0.12 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1dmp h GLN 92 Cb -0.05 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1dmp h GLN 92 CO -0.03 0.90 0.00 0.44 -0.67 0.00 0.00 178.83 179.47 1dmp n ILE 93 N -3.30 0.34 -2.01 2.54 -5.35 -0.61 -4.90 119.36 106.07 1dmp n ILE 93 Ca -0.12 -0.37 -0.11 0.00 -0.27 0.00 0.00 62.75 61.88 1dmp n ILE 93 Cb 1.02 0.21 -0.01 0.00 -1.74 0.00 0.00 39.64 39.11 1dmp n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dmp n GLY 94 N 1.00 0.20 3.75 3.28 0.00 -1.05 -5.02 105.19 107.35 1dmp n GLY 94 Ca 0.11 -0.45 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.51 2.95 0.13 4.61 0.00 -0.05 -5.00 121.76 121.89 1dmp s ALA 95 Ca 0.00 1.39 0.04 0.00 0.00 0.00 0.00 51.96 53.39 1dmp s ALA 95 Cb 0.00 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1dmp s ALA 95 CO 0.00 -1.33 -0.10 0.95 0.00 0.00 0.00 175.76 175.27 1dmp s THR 96 N -1.27 1.10 -0.07 0.00 -4.23 -1.26 -4.74 115.64 105.17 1dmp s THR 96 Ca 0.68 -1.92 0.05 0.00 -1.18 0.00 0.00 61.69 59.32 1dmp s THR 96 Cb -0.42 -1.69 -0.00 0.00 1.34 0.00 0.00 72.50 71.73 1dmp s THR 96 CO 0.51 -0.68 -0.22 -0.22 -0.54 0.00 0.00 174.62 173.47 1dmp s LEU 97 N -2.92 2.00 0.04 4.79 1.98 -1.26 -5.07 118.68 118.24 1dmp s LEU 97 Ca 0.13 -0.48 0.03 0.00 -2.89 0.00 0.00 54.13 50.92 1dmp s LEU 97 Cb 0.01 -1.26 -0.02 0.00 0.66 0.00 0.00 46.19 45.57 1dmp s LEU 97 CO 0.00 0.17 -0.10 0.20 -1.89 0.00 0.00 176.35 174.74 1dmp s ASN 98 N 0.17 1.14 0.00 3.68 0.01 -1.26 -5.30 114.94 113.38 1dmp s ASN 98 Ca -0.11 -0.49 0.00 0.00 -0.71 0.00 0.00 52.86 51.54 1dmp s ASN 98 Cb -0.15 -0.02 0.00 0.00 0.41 0.00 0.00 41.25 41.49 1dmp s ASN 98 CO 0.06 -0.10 0.00 2.22 -1.51 0.00 0.00 177.10 177.76