#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdb s GLN 2 N 0.00 3.62 -0.23 0.54 0.74 -1.26 -5.09 119.66 117.97 3kdb s GLN 2 Ca 0.00 -0.52 -0.03 0.00 0.05 0.00 0.00 55.36 54.87 3kdb s GLN 2 Cb 0.00 -3.12 0.01 0.00 1.10 0.00 0.00 33.01 31.00 3kdb s GLN 2 CO 0.00 -0.03 -0.05 0.42 -0.55 0.00 0.00 175.29 175.08 3kdb s ILE 3 N 1.12 3.09 0.82 -2.34 1.01 -1.26 -5.10 121.20 118.54 3kdb s ILE 3 Ca 0.03 -0.77 -0.12 0.00 0.00 0.00 0.00 60.65 59.79 3kdb s ILE 3 Cb -0.14 -2.48 0.08 0.00 0.01 0.00 0.00 42.46 39.93 3kdb s ILE 3 CO 0.02 0.31 1.14 0.42 0.00 0.00 0.00 174.94 176.83 3kdb s THR 4 N 1.40 2.45 -0.16 2.92 -4.23 -1.26 -5.02 115.64 111.74 3kdb s THR 4 Ca 0.03 0.15 0.17 0.00 -1.18 0.00 0.00 61.69 60.85 3kdb s THR 4 Cb -0.15 -3.02 0.36 0.00 1.34 0.00 0.00 72.50 71.02 3kdb s THR 4 CO -0.04 -0.19 1.22 0.18 -0.54 0.00 0.00 174.62 175.25 3kdb n LEU 5 N -3.42 2.73 -0.07 4.79 4.77 -1.26 -4.60 117.00 119.95 3kdb n LEU 5 Ca 0.07 -3.26 -0.00 0.00 -0.03 0.00 0.00 56.01 52.79 3kdb n LEU 5 Cb 0.59 -0.48 0.28 0.00 -2.33 0.00 0.00 43.42 41.49 3kdb n LEU 5 CO 0.57 0.86 1.03 -0.50 -1.33 0.00 0.00 177.39 178.02 3kdb h TRP 6 N 0.49 0.68 -3.13 -1.77 4.06 -2.06 -3.44 115.95 110.78 3kdb h TRP 6 Ca 0.01 -0.04 -0.42 0.00 2.06 0.00 0.00 58.89 60.50 3kdb h TRP 6 Cb 1.10 -0.21 -0.14 0.00 -1.00 0.00 0.00 29.16 28.91 3kdb h TRP 6 CO 0.26 0.56 -0.63 -1.59 -3.56 0.00 0.00 178.44 173.48 3kdb s LYS 7 N -5.26 1.49 0.15 0.49 -2.85 -1.26 -5.11 119.74 107.40 3kdb s LYS 7 Ca -0.09 -1.79 -0.34 0.00 -1.00 0.00 0.00 55.97 52.75 3kdb s LYS 7 Cb 0.16 -0.71 -0.14 0.00 -2.06 0.00 0.00 37.83 35.08 3kdb s LYS 7 CO 0.77 -0.15 1.55 0.54 0.10 0.00 0.00 175.35 178.16 3kdb n ARG 8 N -0.55 2.05 -2.35 1.78 1.74 -1.26 -4.83 116.66 113.24 3kdb n ARG 8 Ca -0.03 0.74 -0.39 0.00 -0.77 0.00 0.00 57.85 57.40 3kdb n ARG 8 Cb 0.65 -2.49 -0.02 0.00 -1.02 0.00 0.00 32.46 29.58 3kdb n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3kdb n PRO 9 N 3.32 2.71 -3.30 5.56 -0.04 -1.26 -4.95 135.00 137.03 3kdb n PRO 9 Ca 0.17 -2.98 -0.38 0.00 -0.04 0.00 0.00 63.50 60.26 3kdb n PRO 9 Cb 0.28 -3.53 -0.06 0.00 -0.04 0.00 0.00 33.50 30.15 3kdb n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kdb s LEU 10 N 5.80 4.38 0.22 1.53 1.43 -1.26 -1.22 118.68 129.56 3kdb s LEU 10 Ca 0.57 1.00 0.04 0.00 -1.03 0.00 0.00 54.13 54.71 3kdb s LEU 10 Cb 0.04 -2.77 -0.05 0.00 0.03 0.00 0.00 46.19 43.43 3kdb s LEU 10 CO 0.08 0.11 -0.02 0.68 0.23 0.00 0.00 176.35 177.43 3kdb s VAL 11 N -0.08 1.12 -0.15 -1.59 -7.23 0.22 -4.95 120.40 107.74 3kdb s VAL 11 Ca 0.28 -2.05 -0.17 0.00 -1.81 0.00 0.00 61.98 58.23 3kdb s VAL 11 Cb -0.17 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 3kdb s VAL 11 CO 0.14 -0.39 0.44 -0.89 -0.31 0.00 0.00 175.10 174.09 3kdb s THR 12 N -3.37 5.20 0.12 5.32 2.01 -1.26 -0.70 115.64 122.97 3kdb s THR 12 Ca 0.27 0.85 0.09 0.00 0.31 0.00 0.00 61.69 63.21 3kdb s THR 12 Cb 0.05 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 3kdb s THR 12 CO 0.08 0.31 -0.19 0.27 -0.69 0.00 0.00 174.62 174.39 3kdb s ILE 13 N 0.82 2.78 -0.19 1.82 -4.36 0.80 -3.96 121.20 118.91 3kdb s ILE 13 Ca 0.23 -1.55 -0.04 0.00 -0.26 0.00 0.00 60.65 59.04 3kdb s ILE 13 Cb -0.15 -2.27 -0.02 0.00 1.25 0.00 0.00 42.46 41.27 3kdb s ILE 13 CO 0.09 0.09 -0.04 -0.75 0.24 0.00 0.00 174.94 174.56 3kdb s LYS 14 N -2.16 3.51 -0.16 0.37 2.20 -0.49 -1.42 119.74 121.58 3kdb s LYS 14 Ca 0.18 -0.58 -0.08 0.00 -0.36 0.00 0.00 55.97 55.12 3kdb s LYS 14 Cb -0.10 -2.95 0.06 0.00 -1.51 0.00 0.00 37.83 33.33 3kdb s LYS 14 CO 0.10 0.02 0.38 -1.50 -0.36 0.00 0.00 175.35 173.99 3kdb s ILE 15 N 0.92 -0.07 -1.47 5.43 2.07 -0.18 -1.88 121.20 126.03 3kdb s ILE 15 Ca -0.00 0.11 -0.04 0.00 -1.41 0.00 0.00 60.65 59.30 3kdb s ILE 15 Cb -0.15 -0.57 0.02 0.00 0.13 0.00 0.00 42.46 41.89 3kdb s ILE 15 CO 0.01 0.05 0.41 0.61 -1.91 0.00 0.00 174.94 174.10 3kdb n GLY 16 N 4.34 -0.51 2.18 1.50 0.00 -1.26 -0.79 105.19 110.65 3kdb n GLY 16 Ca -0.23 0.09 -0.00 0.00 0.00 0.00 0.00 46.02 45.88 3kdb n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdb n GLY 17 N -1.28 0.42 3.44 -0.02 0.00 -1.26 -5.02 105.19 101.48 3kdb n GLY 17 Ca -0.12 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 3kdb n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kdb s GLN 18 N -0.46 1.59 -0.17 1.61 -0.21 0.03 -5.13 119.66 116.92 3kdb s GLN 18 Ca 0.00 -1.45 -0.06 0.00 0.02 0.00 0.00 55.36 53.87 3kdb s GLN 18 Cb 0.00 -1.91 -0.04 0.00 1.00 0.00 0.00 33.01 32.06 3kdb s GLN 18 CO 0.00 0.41 0.04 -0.51 -2.12 0.00 0.00 175.29 173.12 3kdb s LEU 19 N -2.59 3.71 0.04 2.90 1.43 -1.26 -1.01 118.68 121.90 3kdb s LEU 19 Ca 0.20 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.37 3kdb s LEU 19 Cb -0.08 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 3kdb s LEU 19 CO 0.10 0.19 -0.06 -0.54 0.23 0.00 0.00 176.35 176.27 3kdb s LYS 20 N 0.26 0.50 0.03 1.70 1.02 -0.51 -4.99 119.74 117.76 3kdb s LYS 20 Ca 0.02 -0.80 -0.20 0.00 0.02 0.00 0.00 55.97 55.01 3kdb s LYS 20 Cb -0.13 -0.14 -0.06 0.00 -0.52 0.00 0.00 37.83 36.98 3kdb s LYS 20 CO 0.01 0.01 0.59 -2.00 -0.92 0.00 0.00 175.35 173.04 3kdb s GLU 21 N -1.92 4.28 0.06 1.68 2.12 -1.26 -0.14 118.70 123.52 3kdb s GLU 21 Ca -0.08 0.75 -0.06 0.00 0.36 0.00 0.00 54.97 55.94 3kdb s GLU 21 Cb -0.07 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 31.00 3kdb s GLU 21 CO -0.01 0.48 0.10 0.00 -0.54 0.00 0.00 175.26 175.30 3kdb s ALA 22 N -0.60 0.01 -0.22 6.30 0.00 0.13 -4.53 121.76 122.86 3kdb s ALA 22 Ca 0.30 -0.74 -0.15 0.00 0.00 0.00 0.00 51.96 51.37 3kdb s ALA 22 Cb -0.19 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3kdb s ALA 22 CO 0.18 -0.41 0.38 -1.17 0.00 0.00 0.00 175.76 174.74 3kdb s LEU 23 N -2.62 4.13 -0.45 0.00 2.96 0.36 -0.61 118.68 122.44 3kdb s LEU 23 Ca 0.02 0.44 -0.28 0.00 -0.22 0.00 0.00 54.13 54.09 3kdb s LEU 23 Cb 0.04 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.26 3kdb s LEU 23 CO -0.08 -0.09 1.49 -0.76 -1.32 0.00 0.00 176.35 175.59 3kdb s LEU 24 N 1.46 3.51 -0.33 -0.68 1.43 -0.36 -0.41 118.68 123.30 3kdb s LEU 24 Ca 0.17 0.73 0.02 0.00 -1.03 0.00 0.00 54.13 54.03 3kdb s LEU 24 Cb -0.15 -3.36 0.10 0.00 0.03 0.00 0.00 46.19 42.81 3kdb s LEU 24 CO 0.08 -1.60 0.07 -0.62 0.23 0.00 0.00 176.35 174.52 3kdb s ASP 25 N 4.61 4.51 0.32 2.29 -1.08 -0.31 -4.80 116.67 122.20 3kdb s ASP 25 Ca 0.62 -2.01 0.26 0.00 -0.52 0.00 0.00 52.55 50.90 3kdb s ASP 25 Cb -0.14 -1.37 1.05 0.00 -1.46 0.00 0.00 42.92 41.00 3kdb s ASP 25 CO 0.30 -0.39 1.77 0.71 0.52 0.00 0.00 175.17 178.09 3kdb h THR 26 N 6.53 0.00 -0.00 1.71 1.35 -1.93 -2.41 112.91 118.16 3kdb h THR 26 Ca -0.07 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3kdb h THR 26 Cb 1.01 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3kdb h THR 26 CO 0.51 0.00 -0.05 0.61 -0.25 0.00 0.00 175.52 176.34 3kdb n GLY 27 N 0.08 -1.36 3.66 5.82 0.00 -1.26 -4.82 105.19 107.31 3kdb n GLY 27 Ca 0.02 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 3kdb n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdb s ALA 28 N -2.81 3.55 0.22 4.61 0.00 -0.91 -4.97 121.76 121.45 3kdb s ALA 28 Ca 0.20 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.31 3kdb s ALA 28 Cb 0.19 -2.16 0.19 0.00 0.00 0.00 0.00 23.12 21.34 3kdb s ALA 28 CO 0.52 -0.02 1.63 -0.44 0.00 0.00 0.00 175.76 177.45 3kdb h ASP 29 N 7.11 0.78 -2.26 0.00 3.32 -1.87 0.16 116.42 123.65 3kdb h ASP 29 Ca -0.39 -0.28 -0.60 0.00 0.02 0.00 0.00 57.03 55.78 3kdb h ASP 29 Cb 1.16 -0.21 -0.13 0.00 0.22 0.00 0.00 39.33 40.37 3kdb h ASP 29 CO 0.69 0.98 -0.51 -1.81 -1.72 0.00 0.00 179.24 176.87 3kdb s ASP 30 N -6.76 3.25 -0.16 6.45 1.01 -1.26 -2.32 116.67 116.88 3kdb s ASP 30 Ca -0.09 -1.69 -0.05 0.00 0.71 0.00 0.00 52.55 51.43 3kdb s ASP 30 Cb 0.13 0.56 -0.03 0.00 1.01 0.00 0.00 42.92 44.58 3kdb s ASP 30 CO 0.83 -0.93 0.00 -0.89 0.21 0.00 0.00 175.17 174.40 3kdb s THR 31 N -3.10 4.27 -0.05 -1.27 2.01 -1.26 -3.13 115.64 113.12 3kdb s THR 31 Ca 0.17 -0.22 0.02 0.00 0.31 0.00 0.00 61.69 61.96 3kdb s THR 31 Cb 0.02 -2.89 0.02 0.00 0.01 0.00 0.00 72.50 69.65 3kdb s THR 31 CO 0.11 0.49 -0.07 0.54 -0.69 0.00 0.00 174.62 174.99 3kdb s VAL 32 N 0.27 0.74 0.03 3.82 0.11 -0.42 -0.76 120.40 124.19 3kdb s VAL 32 Ca -0.00 -0.26 0.08 0.00 -2.93 0.00 0.00 61.98 58.87 3kdb s VAL 32 Cb -0.13 -0.71 -0.03 0.00 -1.53 0.00 0.00 36.38 33.98 3kdb s VAL 32 CO 0.02 0.26 -0.23 -0.63 -3.33 0.00 0.00 175.10 171.19 3kdb s ILE 33 N 0.71 1.89 1.00 7.04 -1.09 0.30 -0.84 121.20 130.21 3kdb s ILE 33 Ca -0.11 -1.24 -0.13 0.00 -2.23 0.00 0.00 60.65 56.94 3kdb s ILE 33 Cb -0.14 -1.61 0.11 0.00 -1.58 0.00 0.00 42.46 39.23 3kdb s ILE 33 CO 0.01 0.32 0.60 -1.84 -1.23 0.00 0.00 174.94 172.81 3kdb n GLU 34 N 1.93 -0.81 -1.66 2.79 0.28 -1.26 -1.55 120.64 120.36 3kdb n GLU 34 Ca -0.17 -0.19 -0.58 0.00 -0.16 0.00 0.00 57.16 56.06 3kdb n GLU 34 Cb 0.53 -2.00 -0.07 0.00 1.43 0.00 0.00 31.44 31.32 3kdb n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3kdb n GLU 35 N -2.80 0.86 -3.61 3.44 -0.58 -1.23 -4.58 120.64 112.14 3kdb n GLU 35 Ca 0.07 0.31 -0.09 0.00 -0.42 0.00 0.00 57.16 57.03 3kdb n GLU 35 Cb 0.55 -1.94 -0.02 0.00 -0.57 0.00 0.00 31.44 29.46 3kdb n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kdb s MET 36 N 2.26 1.33 0.13 3.49 0.23 -1.26 -5.04 119.30 120.44 3kdb s MET 36 Ca 0.95 -0.61 -0.25 0.00 -1.03 0.00 0.00 55.69 54.75 3kdb s MET 36 Cb -1.13 0.53 -0.07 0.00 -1.53 0.00 0.00 34.83 32.63 3kdb s MET 36 CO 0.62 -0.60 0.75 -1.12 -2.03 0.00 0.00 175.02 172.65 3kdb s SER 37 N -2.78 7.32 0.01 -1.18 0.01 -1.26 -5.03 113.70 110.79 3kdb s SER 37 Ca 0.06 1.57 0.00 0.00 1.31 0.00 0.00 55.95 58.89 3kdb s SER 37 Cb -0.02 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 63.72 3kdb s SER 37 CO -0.05 0.18 -0.02 -0.76 0.41 0.00 0.00 173.24 173.00 3kdb s LEU 38 N -0.92 2.11 0.58 2.44 1.43 -1.26 -4.88 118.68 118.18 3kdb s LEU 38 Ca 0.36 -0.23 -0.18 0.00 -1.03 0.00 0.00 54.13 53.05 3kdb s LEU 38 Cb -0.22 0.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.97 3kdb s LEU 38 CO 0.25 -0.12 1.11 -2.84 0.23 0.00 0.00 176.35 174.98 3kdb s PRO 39 N -0.65 3.18 0.14 1.29 0.02 -1.26 -4.96 135.00 132.76 3kdb s PRO 39 Ca -0.07 1.49 0.00 0.00 0.02 0.00 0.00 61.00 62.45 3kdb s PRO 39 Cb -0.04 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.48 3kdb s PRO 39 CO -0.00 -0.97 0.00 0.41 -0.33 0.00 0.00 177.00 176.11 3kdb n GLY 40 N -0.18 -2.62 3.87 0.52 0.00 -1.26 -4.94 105.19 100.58 3kdb n GLY 40 Ca 0.11 -1.94 -0.31 0.00 0.00 0.00 0.00 46.02 43.88 3kdb n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kdb s ARG 41 N -0.39 3.31 0.13 1.61 6.06 -1.26 -5.09 118.95 123.32 3kdb s ARG 41 Ca 0.00 0.65 -0.05 0.00 -2.50 0.00 0.00 55.73 53.84 3kdb s ARG 41 Cb 0.00 -2.06 -0.02 0.00 0.06 0.00 0.00 34.95 32.93 3kdb s ARG 41 CO 0.00 -0.76 0.14 1.67 -2.50 0.00 0.00 175.30 173.85 3kdb s TRP 42 N -3.24 0.58 0.01 5.12 1.48 -1.26 -4.39 118.94 117.24 3kdb s TRP 42 Ca 0.56 -0.98 0.02 0.00 -1.06 0.00 0.00 56.10 54.65 3kdb s TRP 42 Cb -0.11 -0.27 -0.01 0.00 -1.16 0.00 0.00 33.47 31.92 3kdb s TRP 42 CO 0.53 -0.58 -0.08 0.21 -4.06 0.00 0.00 176.95 172.98 3kdb s LYS 43 N -3.99 0.59 0.59 3.25 2.20 -0.78 -4.92 119.74 116.68 3kdb s LYS 43 Ca 0.18 -0.38 -0.16 0.00 -0.36 0.00 0.00 55.97 55.24 3kdb s LYS 43 Cb 0.06 -0.53 -0.04 0.00 -1.51 0.00 0.00 37.83 35.80 3kdb s LYS 43 CO -0.02 0.14 1.06 -1.25 -0.36 0.00 0.00 175.35 174.93 3kdb s PRO 44 N -0.50 3.32 -0.01 4.03 0.04 -1.26 -0.27 135.00 140.34 3kdb s PRO 44 Ca 0.00 1.27 -0.21 0.00 0.04 0.00 0.00 61.00 62.10 3kdb s PRO 44 Cb -0.04 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.51 3kdb s PRO 44 CO 0.00 -0.82 0.46 0.21 0.04 0.00 0.00 177.00 176.89 3kdb s LYS 45 N -3.93 0.86 -0.12 4.56 2.20 -0.33 -4.84 119.74 118.13 3kdb s LYS 45 Ca 0.65 -0.07 -0.02 0.00 -0.36 0.00 0.00 55.97 56.17 3kdb s LYS 45 Cb -0.17 0.39 -0.03 0.00 -1.51 0.00 0.00 37.83 36.51 3kdb s LYS 45 CO 0.35 -0.26 -0.06 -1.64 -0.36 0.00 0.00 175.35 173.38 3kdb s MET 46 N -1.51 3.34 -0.02 4.03 -1.94 -1.26 -0.54 119.30 121.41 3kdb s MET 46 Ca -0.11 -0.54 0.06 0.00 -1.71 0.00 0.00 55.69 53.39 3kdb s MET 46 Cb -0.03 -2.78 -0.02 0.00 2.01 0.00 0.00 34.83 34.02 3kdb s MET 46 CO 0.05 0.38 -0.21 0.96 -0.01 0.00 0.00 175.02 176.20 3kdb s ILE 47 N -0.04 1.63 0.13 2.53 -4.36 -0.52 -4.97 121.20 115.60 3kdb s ILE 47 Ca 0.01 -0.88 0.09 0.00 -0.26 0.00 0.00 60.65 59.60 3kdb s ILE 47 Cb -0.13 -1.36 -0.04 0.00 1.25 0.00 0.00 42.46 42.18 3kdb s ILE 47 CO 0.03 0.46 -0.22 -0.83 0.24 0.00 0.00 174.94 174.62 3kdb s GLY 48 N -0.48 1.40 0.00 6.27 0.00 -1.26 -1.12 107.32 112.12 3kdb s GLY 48 Ca 0.08 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.42 3kdb s GLY 48 CO -0.01 -1.39 0.00 0.61 0.00 0.00 0.00 173.10 172.31 3kdb n GLY 49 N 0.83 2.61 3.62 0.20 0.00 -0.67 -4.99 105.19 106.79 3kdb n GLY 49 Ca -0.17 -0.56 -0.52 0.00 0.00 0.00 0.00 46.02 44.77 3kdb n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kdb n ILE 50 N 0.00 0.06 -0.45 -0.61 2.08 -1.26 -1.26 119.36 117.92 3kdb n ILE 50 Ca 0.00 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.30 3kdb n ILE 50 Cb 0.00 -1.03 0.00 0.00 -0.75 0.00 0.00 39.64 37.86 3kdb n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3kdb n GLY 51 N 2.96 1.80 0.00 7.39 0.00 -1.26 -4.90 105.19 111.18 3kdb n GLY 51 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3kdb n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kdb n GLY 52 N -2.00 0.17 3.63 -0.02 0.00 -0.39 -5.06 105.19 101.53 3kdb n GLY 52 Ca 0.00 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.72 3kdb n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kdb s PHE 53 N 0.00 2.87 0.16 1.61 0.40 -1.26 -1.67 117.98 120.08 3kdb s PHE 53 Ca 0.00 -0.09 0.09 0.00 -0.60 0.00 0.00 56.93 56.33 3kdb s PHE 53 Cb 0.00 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 3kdb s PHE 53 CO 0.00 0.45 -0.19 0.96 0.70 0.00 0.00 175.22 177.14 3kdb s ILE 54 N -1.25 1.86 -0.11 0.64 -4.36 -0.28 -4.97 121.20 112.73 3kdb s ILE 54 Ca 0.23 -1.87 -0.14 0.00 -0.26 0.00 0.00 60.65 58.61 3kdb s ILE 54 Cb -0.11 -1.83 -0.05 0.00 1.25 0.00 0.00 42.46 41.72 3kdb s ILE 54 CO 0.16 -0.26 0.33 -0.75 0.24 0.00 0.00 174.94 174.65 3kdb s LYS 55 N -2.65 4.10 0.23 0.37 2.20 -1.26 -1.44 119.74 121.29 3kdb s LYS 55 Ca 0.15 0.19 0.02 0.00 -0.36 0.00 0.00 55.97 55.97 3kdb s LYS 55 Cb -0.07 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.85 3kdb s LYS 55 CO 0.07 0.39 0.03 0.14 -0.36 0.00 0.00 175.35 175.62 3kdb s VAL 56 N -0.02 0.79 -0.18 4.02 -7.23 0.30 -4.45 120.40 113.63 3kdb s VAL 56 Ca 0.19 -2.01 -0.07 0.00 -1.81 0.00 0.00 61.98 58.29 3kdb s VAL 56 Cb -0.14 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 3kdb s VAL 56 CO 0.07 -0.25 0.05 -0.13 -0.31 0.00 0.00 175.10 174.52 3kdb s ARG 57 N -3.93 3.90 -0.30 4.82 0.52 0.04 -1.18 118.95 122.82 3kdb s ARG 57 Ca 0.30 -0.38 -0.13 0.00 -0.52 0.00 0.00 55.73 55.00 3kdb s ARG 57 Cb 0.07 -3.17 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 3kdb s ARG 57 CO 0.09 0.24 0.28 -1.14 0.02 0.00 0.00 175.30 174.79 3kdb s GLN 58 N 0.45 3.80 -0.16 3.54 0.74 0.62 -0.99 119.66 127.67 3kdb s GLN 58 Ca 0.02 -0.31 -0.04 0.00 0.05 0.00 0.00 55.36 55.08 3kdb s GLN 58 Cb -0.13 -3.72 -0.03 0.00 1.10 0.00 0.00 33.01 30.24 3kdb s GLN 58 CO 0.01 -0.32 -0.04 0.71 -0.55 0.00 0.00 175.29 175.10 3kdb s TYR 59 N 1.88 3.01 0.17 1.67 1.51 -0.42 -1.86 117.35 123.32 3kdb s TYR 59 Ca 0.10 -0.33 0.04 0.00 -1.01 0.00 0.00 57.07 55.86 3kdb s TYR 59 Cb -0.16 -1.96 -0.03 0.00 -0.11 0.00 0.00 41.96 39.69 3kdb s TYR 59 CO 0.11 -0.06 0.26 -0.51 -1.11 0.00 0.00 175.55 174.24 3kdb s ASP 60 N 0.41 6.12 -1.23 2.29 1.01 -1.26 -0.31 116.67 123.70 3kdb s ASP 60 Ca -0.04 0.07 -0.03 0.00 0.71 0.00 0.00 52.55 53.26 3kdb s ASP 60 Cb -0.14 -1.78 -0.01 0.00 1.01 0.00 0.00 42.92 42.00 3kdb s ASP 60 CO 0.03 0.03 0.79 0.00 0.21 0.00 0.00 175.17 176.23 3kdb n GLN 61 N -0.70 -4.42 -3.91 8.23 6.02 -1.15 -4.91 117.38 116.54 3kdb n GLN 61 Ca -0.08 0.67 -0.35 0.00 -0.01 0.00 0.00 57.00 57.24 3kdb n GLN 61 Cb 0.55 -5.26 -0.09 0.00 1.02 0.00 0.00 30.24 26.46 3kdb n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3kdb s ILE 62 N -3.56 4.99 0.00 5.09 -1.09 0.03 -4.84 121.20 121.83 3kdb s ILE 62 Ca 0.12 0.04 -0.25 0.00 -2.23 0.00 0.00 60.65 58.33 3kdb s ILE 62 Cb -0.03 -3.26 -0.05 0.00 -1.58 0.00 0.00 42.46 37.54 3kdb s ILE 62 CO 0.79 0.45 0.75 -0.63 -1.23 0.00 0.00 174.94 175.07 3kdb s ILE 63 N 0.41 4.85 0.13 2.92 1.01 -1.26 -1.80 121.20 127.46 3kdb s ILE 63 Ca 0.05 1.58 0.05 0.00 0.00 0.00 0.00 60.65 62.32 3kdb s ILE 63 Cb -0.12 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 3kdb s ILE 63 CO -0.00 0.32 -0.11 -0.63 0.00 0.00 0.00 174.94 174.52 3kdb s ILE 64 N 0.28 1.14 -0.08 2.92 1.01 -0.47 -4.52 121.20 121.49 3kdb s ILE 64 Ca 0.39 -1.90 0.02 0.00 0.00 0.00 0.00 60.65 59.16 3kdb s ILE 64 Cb -0.20 -1.67 0.01 0.00 0.01 0.00 0.00 42.46 40.62 3kdb s ILE 64 CO 0.21 -0.64 -0.12 -0.70 0.00 0.00 0.00 174.94 173.68 3kdb s GLU 65 N -3.33 1.80 -0.18 2.79 2.12 -0.79 -0.92 118.70 120.20 3kdb s GLU 65 Ca 0.13 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.03 3kdb s GLU 65 Cb -0.00 -1.52 0.04 0.00 0.26 0.00 0.00 34.13 32.91 3kdb s GLU 65 CO 0.01 -0.01 -0.10 0.42 -0.54 0.00 0.00 175.26 175.03 3kdb s ILE 66 N 0.82 1.50 -1.41 -3.70 1.01 -0.29 -1.40 121.20 117.73 3kdb s ILE 66 Ca -0.11 -0.83 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 3kdb s ILE 66 Cb -0.15 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.76 3kdb s ILE 66 CO 0.02 0.23 0.31 0.00 0.00 0.00 0.00 174.94 175.49 3kdb n GLY 68 N -2.25 1.21 3.36 0.00 0.00 -1.26 -5.00 105.19 101.25 3kdb n GLY 68 Ca -0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 3kdb n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kdb s HIS 69 N -3.75 3.22 0.34 1.61 4.02 0.16 -5.08 115.29 115.81 3kdb s HIS 69 Ca 0.00 -1.00 -0.25 0.00 1.02 0.00 0.00 55.06 54.82 3kdb s HIS 69 Cb 0.00 -2.35 -0.10 0.00 -1.02 0.00 0.00 32.58 29.11 3kdb s HIS 69 CO 0.00 -0.62 0.95 0.15 1.02 0.00 0.00 174.74 176.24 3kdb s LYS 70 N 1.52 4.52 0.22 1.40 1.02 -1.26 -1.13 119.74 126.03 3kdb s LYS 70 Ca 0.02 1.31 -0.10 0.00 0.02 0.00 0.00 55.97 57.21 3kdb s LYS 70 Cb -0.19 -2.71 -0.01 0.00 -0.52 0.00 0.00 37.83 34.41 3kdb s LYS 70 CO 0.05 0.22 0.38 0.00 -0.92 0.00 0.00 175.35 175.08 3kdb s ALA 71 N -1.70 0.08 0.00 5.17 0.00 -0.09 -4.85 121.76 120.38 3kdb s ALA 71 Ca 0.52 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 51.46 3kdb s ALA 71 Cb -0.17 1.11 -0.01 0.00 0.00 0.00 0.00 23.12 24.04 3kdb s ALA 71 CO 0.22 -0.77 -0.07 -1.50 0.00 0.00 0.00 175.76 173.65 3kdb s ILE 72 N -4.04 0.52 -0.23 0.00 2.07 -1.26 -1.37 121.20 116.89 3kdb s ILE 72 Ca 0.25 -0.39 0.00 0.00 -1.41 0.00 0.00 60.65 59.10 3kdb s ILE 72 Cb 0.02 -0.46 0.00 0.00 0.13 0.00 0.00 42.46 42.15 3kdb s ILE 72 CO 0.08 0.08 0.00 0.61 -1.91 0.00 0.00 174.94 173.80 3kdb n GLY 73 N 2.72 -1.23 3.74 1.50 0.00 -0.74 -4.92 105.19 106.26 3kdb n GLY 73 Ca -0.14 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 3kdb n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kdb s THR 74 N -2.82 4.17 -0.09 2.61 2.01 -1.26 -0.79 115.64 119.48 3kdb s THR 74 Ca 0.00 1.97 0.03 0.00 0.31 0.00 0.00 61.69 64.00 3kdb s THR 74 Cb 0.00 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.26 3kdb s THR 74 CO 0.00 0.38 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.45 3kdb s VAL 75 N -0.57 1.54 -0.05 3.82 1.01 0.58 -4.46 120.40 122.26 3kdb s VAL 75 Ca 0.45 -0.71 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 3kdb s VAL 75 Cb -0.26 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 3kdb s VAL 75 CO 0.32 0.44 0.29 -0.76 0.00 0.00 0.00 175.10 175.40 3kdb s LEU 76 N 0.60 4.44 -0.09 3.92 1.43 0.06 -1.30 118.68 127.73 3kdb s LEU 76 Ca -0.15 0.75 0.03 0.00 -1.03 0.00 0.00 54.13 53.73 3kdb s LEU 76 Cb -0.16 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.68 3kdb s LEU 76 CO 0.05 0.36 -0.19 -0.69 0.23 0.00 0.00 176.35 176.11 3kdb s VAL 77 N -1.07 1.66 -1.02 -1.59 1.01 -0.16 -0.53 120.40 118.70 3kdb s VAL 77 Ca 0.20 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3kdb s VAL 77 Cb -0.15 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.77 3kdb s VAL 77 CO 0.10 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.28 3kdb n GLY 78 N 3.69 -1.08 2.21 4.51 0.00 -0.59 -0.78 105.19 113.14 3kdb n GLY 78 Ca -0.21 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 3kdb n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kdb n PRO 79 N 0.00 3.08 -2.80 1.61 -0.04 -1.26 -3.57 135.00 132.02 3kdb n PRO 79 Ca 0.00 -1.77 -0.40 0.00 -0.04 0.00 0.00 63.50 61.30 3kdb n PRO 79 Cb 0.00 -2.51 -0.06 0.00 -0.04 0.00 0.00 33.50 30.89 3kdb n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3kdb s THR 80 N 1.78 4.14 0.16 0.52 -1.32 -1.26 -4.95 115.64 114.71 3kdb s THR 80 Ca 0.68 1.99 0.29 0.00 -1.21 0.00 0.00 61.69 63.44 3kdb s THR 80 Cb 0.23 -4.27 0.31 0.00 -1.51 0.00 0.00 72.50 67.26 3kdb s THR 80 CO -0.04 0.49 1.93 1.55 -2.21 0.00 0.00 174.62 176.34 3kdb h PRO 81 N 4.15 0.00 -3.69 7.08 0.13 -1.99 -3.44 132.00 134.24 3kdb h PRO 81 Ca -0.46 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.43 3kdb h PRO 81 Cb 1.20 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.04 3kdb h PRO 81 CO 0.67 0.11 -0.72 0.08 -0.23 0.00 0.00 178.00 177.91 3kdb s VAL 82 N -3.72 -0.01 0.17 1.56 1.01 -1.26 -5.11 120.40 113.04 3kdb s VAL 82 Ca 0.00 0.03 -0.31 0.00 0.00 0.00 0.00 61.98 61.71 3kdb s VAL 82 Cb 0.10 -0.02 -0.09 0.00 0.00 0.00 0.00 36.38 36.37 3kdb s VAL 82 CO 0.59 0.01 1.35 0.20 0.00 0.00 0.00 175.10 177.25 3kdb s ASN 83 N 0.17 6.85 -0.10 3.32 0.01 -1.26 -4.85 114.94 119.08 3kdb s ASN 83 Ca -0.01 2.39 0.00 0.00 -0.71 0.00 0.00 52.86 54.53 3kdb s ASN 83 Cb -0.02 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.06 3kdb s ASN 83 CO -0.00 -0.59 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.28 3kdb s ILE 84 N 0.50 1.02 -0.32 0.60 1.01 -0.02 -0.49 121.20 123.51 3kdb s ILE 84 Ca 0.60 -0.32 -0.20 0.00 0.00 0.00 0.00 60.65 60.74 3kdb s ILE 84 Cb -0.37 -1.02 -0.01 0.00 0.01 0.00 0.00 42.46 41.07 3kdb s ILE 84 CO 0.35 0.36 0.59 -0.63 0.00 0.00 0.00 174.94 175.62 3kdb s ILE 85 N 1.46 4.95 0.39 2.92 -1.09 0.45 -1.30 121.20 128.98 3kdb s ILE 85 Ca 0.00 0.69 0.06 0.00 -2.23 0.00 0.00 60.65 59.17 3kdb s ILE 85 Cb -0.13 -3.99 0.06 0.00 -1.58 0.00 0.00 42.46 36.82 3kdb s ILE 85 CO -0.05 -0.17 0.51 0.61 -1.23 0.00 0.00 174.94 174.60 3kdb n GLY 86 N 4.56 2.04 0.26 6.18 0.00 -1.18 -1.16 105.19 115.88 3kdb n GLY 86 Ca -0.02 -2.20 0.09 0.00 0.00 0.00 0.00 46.02 43.89 3kdb n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3kdb h ARG 87 N 0.00 0.00 -0.02 1.61 3.08 -0.66 -1.33 114.38 117.06 3kdb h ARG 87 Ca -0.19 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 3kdb h ARG 87 Cb 0.84 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 3kdb h ARG 87 CO 0.27 0.07 -0.04 -2.95 -1.07 0.00 0.00 179.97 176.25 3kdb h ASN 88 N 0.00 0.03 0.07 7.04 -1.07 -1.72 -1.84 115.58 118.09 3kdb h ASN 88 Ca -0.00 -0.00 -0.33 0.00 0.07 0.00 0.00 56.30 56.04 3kdb h ASN 88 Cb 0.14 -0.01 -0.06 0.00 -2.07 0.00 0.00 38.32 36.32 3kdb h ASN 88 CO 0.01 0.08 -2.26 0.18 0.07 0.00 0.00 177.43 175.50 3kdb n LEU 89 N -4.47 0.11 -0.34 6.14 4.77 -0.80 -4.43 117.00 117.99 3kdb n LEU 89 Ca -0.02 0.05 -0.03 0.00 -0.03 0.00 0.00 56.01 55.98 3kdb n LEU 89 Cb 0.14 0.41 0.09 0.00 -2.33 0.00 0.00 43.42 41.73 3kdb n LEU 89 CO 0.35 0.44 1.22 -0.07 -1.33 0.00 0.00 177.39 178.00 3kdb h LEU 90 N 0.00 1.09 -0.89 2.23 3.38 -0.86 -1.81 115.31 118.45 3kdb h LEU 90 Ca -0.47 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 57.53 3kdb h LEU 90 Cb 2.11 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 42.51 3kdb h LEU 90 CO 0.03 0.83 0.54 0.71 0.09 0.00 0.00 178.44 180.64 3kdb h THR 91 N 1.26 0.94 0.00 0.22 1.35 -1.57 -0.85 112.91 114.27 3kdb h THR 91 Ca 0.33 -0.31 -0.11 0.00 -0.55 0.00 0.00 66.41 65.78 3kdb h THR 91 Cb -0.07 -0.04 -0.02 0.00 -1.73 0.00 0.00 68.15 66.30 3kdb h THR 91 CO -0.06 0.16 -0.50 1.56 -0.25 0.00 0.00 175.52 176.43 3kdb h GLN 92 N 0.90 0.00 -0.13 4.72 1.08 -1.54 -1.51 115.11 118.63 3kdb h GLN 92 Ca 0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.62 3kdb h GLN 92 Cb 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 3kdb h GLN 92 CO -0.24 0.50 0.00 0.44 -0.95 0.00 0.00 178.83 178.59 3kdb n ILE 93 N -3.81 0.16 -2.18 2.54 -5.35 -1.13 -4.93 119.36 104.66 3kdb n ILE 93 Ca -0.01 -0.32 -0.08 0.00 -0.27 0.00 0.00 62.75 62.07 3kdb n ILE 93 Cb 0.54 0.40 -0.00 0.00 -1.74 0.00 0.00 39.64 38.83 3kdb n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kdb n GLY 94 N 1.14 0.07 3.72 3.28 0.00 -0.57 -5.01 105.19 107.82 3kdb n GLY 94 Ca 0.17 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 3kdb n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kdb s THR 96 N 0.72 1.03 -0.06 0.00 -4.23 -1.26 -4.62 115.64 107.22 3kdb s THR 96 Ca 0.55 -1.88 -0.18 0.00 -1.18 0.00 0.00 61.69 58.99 3kdb s THR 96 Cb -0.27 -1.64 -0.05 0.00 1.34 0.00 0.00 72.50 71.87 3kdb s THR 96 CO 0.30 -0.69 0.48 -0.76 -0.54 0.00 0.00 174.62 173.42 3kdb s LEU 97 N -2.87 4.37 -0.03 4.79 1.43 -1.26 -5.09 118.68 120.02 3kdb s LEU 97 Ca 0.12 0.94 0.01 0.00 -1.03 0.00 0.00 54.13 54.16 3kdb s LEU 97 Cb 0.01 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.54 3kdb s LEU 97 CO -0.00 0.12 -0.02 0.20 0.23 0.00 0.00 176.35 176.88 3kdb s ASN 98 N -0.08 0.60 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.32 3kdb s ASN 98 Ca 0.26 -0.07 0.00 0.00 -1.57 0.00 0.00 52.86 51.48 3kdb s ASN 98 Cb -0.16 -0.26 0.00 0.00 -0.02 0.00 0.00 41.25 40.81 3kdb s ASN 98 CO 0.13 -0.05 0.00 2.22 -2.57 0.00 0.00 177.10 176.83