#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk3 s SER 2 N 0.00 -0.52 -0.26 1.61 1.04 -1.26 -5.13 113.70 109.19 2dk3 s SER 2 Ca 0.00 0.95 -0.29 0.00 0.48 0.00 0.00 55.95 57.09 2dk3 s SER 2 Cb 0.00 0.95 -0.00 0.00 0.10 0.00 0.00 66.02 67.07 2dk3 s SER 2 CO 0.00 -0.21 1.26 -0.55 0.98 0.00 0.00 173.24 174.72 2dk3 s SER 3 N 0.09 6.80 0.00 7.02 0.15 -1.26 -4.87 113.70 121.63 2dk3 s SER 3 Ca 0.02 1.36 0.00 0.00 0.70 0.00 0.00 55.95 58.02 2dk3 s SER 3 Cb -0.04 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2dk3 s SER 3 CO -0.03 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 174.07 2dk3 n GLY 4 N 4.01 -0.76 3.55 9.45 0.00 -1.26 -5.06 105.19 115.12 2dk3 n GLY 4 Ca 0.14 -1.25 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 2dk3 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dk3 s SER 5 N -4.00 5.57 0.16 1.61 0.15 -1.26 -4.84 113.70 111.09 2dk3 s SER 5 Ca 0.00 -0.10 -0.14 0.00 0.70 0.00 0.00 55.95 56.42 2dk3 s SER 5 Cb 0.00 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.82 2dk3 s SER 5 CO 0.00 -2.23 1.75 0.28 1.20 0.00 0.00 173.24 174.25 2dk3 h SER 6 N 12.91 0.68 -4.19 5.45 0.02 -1.97 -3.43 113.55 123.02 2dk3 h SER 6 Ca -0.20 -0.12 -0.69 0.00 -0.84 0.00 0.00 61.79 59.94 2dk3 h SER 6 Cb 1.10 -0.17 -0.25 0.00 0.14 0.00 0.00 62.40 63.22 2dk3 h SER 6 CO 1.25 0.61 -0.83 -0.83 -1.14 0.00 0.00 176.83 175.88 2dk3 s GLY 7 N -2.93 1.46 -0.23 -3.77 0.00 -1.26 -5.12 107.32 95.47 2dk3 s GLY 7 Ca -0.13 -1.14 -0.09 0.00 0.00 0.00 0.00 44.72 43.36 2dk3 s GLY 7 CO 0.77 -0.99 0.50 0.54 0.00 0.00 0.00 173.10 173.92 2dk3 s VAL 8 N -0.78 -0.62 0.43 1.40 0.11 -1.26 -5.02 120.40 114.65 2dk3 s VAL 8 Ca 0.12 0.10 0.29 0.00 -2.93 0.00 0.00 61.98 59.57 2dk3 s VAL 8 Cb -0.10 -0.77 0.47 0.00 -1.53 0.00 0.00 36.38 34.44 2dk3 s VAL 8 CO 0.02 0.04 1.58 0.08 -3.33 0.00 0.00 175.10 173.50 2dk3 h ARG 9 N 7.91 0.02 -2.12 1.54 0.11 -2.01 0.40 114.38 120.23 2dk3 h ARG 9 Ca -0.20 -0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.58 2dk3 h ARG 9 Cb 1.12 -0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.12 2dk3 h ARG 9 CO 0.14 0.01 0.25 -1.13 0.10 0.00 0.00 179.97 179.34 2dk3 n SER 10 N -4.85 5.87 -0.05 0.08 3.41 -1.26 -4.39 113.62 112.42 2dk3 n SER 10 Ca 0.39 -2.61 -0.03 0.00 -0.26 0.00 0.00 58.87 56.37 2dk3 n SER 10 Cb 1.49 -1.41 -0.01 0.00 -0.26 0.00 0.00 64.21 64.02 2dk3 n SER 10 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2dk3 h GLN 11 N 3.25 0.00 -0.94 4.33 4.15 -1.35 -3.38 115.11 121.18 2dk3 h GLN 11 Ca 0.31 0.00 0.21 0.00 0.77 0.00 0.00 58.65 59.94 2dk3 h GLN 11 Cb 1.24 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.86 2dk3 h GLN 11 CO 0.52 0.00 0.62 -0.24 -1.93 0.00 0.00 178.83 177.80 2dk3 h VAL 12 N -0.80 0.65 -0.22 2.39 3.04 -1.86 0.34 116.25 119.80 2dk3 h VAL 12 Ca 0.00 -0.15 0.06 0.00 -1.01 0.00 0.00 66.70 65.60 2dk3 h VAL 12 Cb 0.29 0.18 -0.01 0.00 -2.01 0.00 0.00 31.29 29.75 2dk3 h VAL 12 CO 0.00 0.08 0.30 -0.07 -1.01 0.00 0.00 177.57 176.86 2dk3 h LEU 13 N 0.43 0.00 -1.27 3.16 3.38 -1.87 0.42 115.31 119.56 2dk3 h LEU 13 Ca 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.45 2dk3 h LEU 13 Cb 1.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 2dk3 h LEU 13 CO -0.21 0.00 -0.12 0.11 0.09 0.00 0.00 178.44 178.30 2dk3 h LYS 14 N 0.00 0.00 0.00 1.13 1.57 -0.48 -2.90 116.57 115.89 2dk3 h LYS 14 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2dk3 h LYS 14 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2dk3 h LYS 14 CO -0.00 0.12 -1.27 0.66 -0.57 0.00 0.00 179.45 178.40 2dk3 n TYR 15 N -3.28 0.00 -1.61 -1.35 4.02 0.14 -4.83 117.16 110.25 2dk3 n TYR 15 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.74 2dk3 n TYR 15 Cb 0.37 -0.18 -0.12 0.00 -0.02 0.00 0.00 39.34 39.40 2dk3 n TYR 15 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 2dk3 n MET 16 N -1.73 0.22 -4.36 -0.72 2.81 -0.54 -4.85 117.12 107.94 2dk3 n MET 16 Ca 0.00 -1.77 -0.23 0.00 -1.81 0.00 0.00 57.70 53.89 2dk3 n MET 16 Cb 0.36 -3.93 -0.11 0.00 -0.71 0.00 0.00 33.22 28.83 2dk3 n MET 16 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2dk3 s VAL 17 N 16.97 2.00 -0.64 2.03 -7.23 -1.26 -3.75 120.40 128.52 2dk3 s VAL 17 Ca 0.81 -1.97 -0.26 0.00 -1.81 0.00 0.00 61.98 58.74 2dk3 s VAL 17 Cb -0.05 -1.94 -0.02 0.00 0.56 0.00 0.00 36.38 34.93 2dk3 s VAL 17 CO 0.19 -0.27 1.87 -2.16 -0.31 0.00 0.00 175.10 174.42 2dk3 s PRO 18 N -2.80 2.62 0.00 4.82 0.04 -1.26 -2.44 135.00 135.98 2dk3 s PRO 18 Ca 0.18 0.52 0.00 0.00 0.04 0.00 0.00 61.00 61.74 2dk3 s PRO 18 Cb -0.06 -4.45 0.00 0.00 0.04 0.00 0.00 34.50 30.02 2dk3 s PRO 18 CO 0.08 -2.80 0.00 0.41 0.04 0.00 0.00 177.00 174.73 2dk3 n GLY 19 N 5.81 0.40 3.99 0.56 0.00 0.21 -4.85 105.19 111.31 2dk3 n GLY 19 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 2dk3 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dk3 s ALA 20 N -0.69 3.75 0.06 4.61 0.00 -1.02 -4.87 121.76 123.60 2dk3 s ALA 20 Ca 0.00 -1.66 -0.04 0.00 0.00 0.00 0.00 51.96 50.25 2dk3 s ALA 20 Cb 0.00 -2.01 -0.05 0.00 0.00 0.00 0.00 23.12 21.06 2dk3 s ALA 20 CO 0.00 -1.33 0.28 1.03 0.00 0.00 0.00 175.76 175.75 2dk3 s ARG 21 N -5.07 3.55 0.18 0.00 1.81 -1.26 -1.56 118.95 116.60 2dk3 s ARG 21 Ca 0.65 -0.17 -0.23 0.00 -1.72 0.00 0.00 55.73 54.26 2dk3 s ARG 21 Cb -0.06 -3.00 0.06 0.00 -0.45 0.00 0.00 34.95 31.50 2dk3 s ARG 21 CO 0.43 0.59 0.61 0.14 -0.68 0.00 0.00 175.30 176.39 2dk3 s VAL 22 N -1.45 0.00 0.30 3.52 -7.23 -1.18 -3.54 120.40 110.83 2dk3 s VAL 22 Ca 0.33 -0.16 -0.01 0.00 -1.81 0.00 0.00 61.98 60.33 2dk3 s VAL 22 Cb -0.13 -1.15 -0.01 0.00 0.56 0.00 0.00 36.38 35.64 2dk3 s VAL 22 CO 0.21 -0.01 0.36 0.27 -0.31 0.00 0.00 175.10 175.63 2dk3 s ILE 23 N -3.78 0.00 -0.07 -0.62 -4.36 0.13 -1.40 121.20 111.10 2dk3 s ILE 23 Ca 0.03 -1.75 -0.30 0.00 -0.26 0.00 0.00 60.65 58.37 2dk3 s ILE 23 Cb -0.02 -2.53 -0.05 0.00 1.25 0.00 0.00 42.46 41.12 2dk3 s ILE 23 CO -0.10 0.00 1.60 0.00 0.24 0.00 0.00 174.94 176.68 2dk3 s ARG 24 N -3.46 4.17 0.00 0.37 1.70 -1.26 -1.00 118.95 119.47 2dk3 s ARG 24 Ca 0.34 2.10 0.00 0.00 -0.47 0.00 0.00 55.73 57.70 2dk3 s ARG 24 Cb 0.02 -3.96 0.00 0.00 -0.57 0.00 0.00 34.95 30.44 2dk3 s ARG 24 CO 0.19 -0.84 0.00 0.41 -1.08 0.00 0.00 175.30 173.98 2dk3 n GLY 25 N 4.08 0.60 0.14 3.88 0.00 0.50 -4.82 105.19 109.56 2dk3 n GLY 25 Ca 0.17 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.56 2dk3 n GLY 25 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dk3 n LEU 26 N 0.00 2.59 0.33 0.99 4.32 -1.26 -4.03 117.00 119.95 2dk3 n LEU 26 Ca 0.00 0.20 0.20 0.00 -0.02 0.00 0.00 56.01 56.39 2dk3 n LEU 26 Cb 0.00 -1.08 1.09 0.00 -1.62 0.00 0.00 43.42 41.81 2dk3 n LEU 26 CO 0.00 0.80 1.17 0.44 -1.22 0.00 0.00 177.39 178.58 2dk3 h ASP 27 N -0.06 0.00 -0.49 -1.43 5.19 -1.83 -3.42 116.42 114.38 2dk3 h ASP 27 Ca -0.44 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.43 2dk3 h ASP 27 Cb 1.94 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 41.40 2dk3 h ASP 27 CO 0.03 0.00 1.64 1.87 -3.12 0.00 0.00 179.24 179.66 2dk3 n TRP 28 N -3.10 0.95 -0.62 4.55 -0.00 -1.26 -4.73 117.44 113.23 2dk3 n TRP 28 Ca -0.02 0.35 0.07 0.00 -0.00 0.00 0.00 57.50 57.90 2dk3 n TRP 28 Cb 0.17 -2.45 0.22 0.00 -0.00 0.00 0.00 31.31 29.25 2dk3 n TRP 28 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 2dk3 n LYS 29 N 8.46 2.95 -3.55 5.87 2.85 -1.26 -5.00 118.16 128.48 2dk3 n LYS 29 Ca 0.55 -2.50 -0.23 0.00 -1.05 0.00 0.00 58.31 55.09 2dk3 n LYS 29 Cb 0.16 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 32.95 2dk3 n LYS 29 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 2dk3 s TRP 30 N -1.99 1.93 0.53 5.58 0.52 -1.26 -5.14 118.94 119.11 2dk3 s TRP 30 Ca 0.34 -0.69 -0.08 0.00 0.02 0.00 0.00 56.10 55.69 2dk3 s TRP 30 Cb 0.24 -2.08 0.12 0.00 -1.15 0.00 0.00 33.47 30.60 2dk3 s TRP 30 CO 0.12 -0.54 0.72 2.89 0.02 0.00 0.00 176.95 180.16 2dk3 n ARG 31 N -1.82 -0.61 -2.27 4.98 1.85 -1.26 -4.93 116.66 112.60 2dk3 n ARG 31 Ca 0.05 -1.20 -0.33 0.00 -1.00 0.00 0.00 57.85 55.37 2dk3 n ARG 31 Cb 0.63 -0.72 -0.04 0.00 -1.05 0.00 0.00 32.46 31.28 2dk3 n ARG 31 CO 0.00 0.00 0.00 0.16 -0.01 0.00 0.00 177.63 177.78 2dk3 s ASP 32 N -3.66 5.74 -0.19 2.89 -4.77 -1.26 -4.72 116.67 110.69 2dk3 s ASP 32 Ca 0.42 -1.05 -0.15 0.00 -3.30 0.00 0.00 52.55 48.47 2dk3 s ASP 32 Cb -0.01 -2.56 -0.21 0.00 -1.09 0.00 0.00 42.92 39.05 2dk3 s ASP 32 CO 0.29 -2.20 0.19 0.00 0.70 0.00 0.00 175.17 174.14 2dk3 n GLN 33 N 8.85 0.64 -0.34 2.11 6.02 -1.26 -4.19 117.38 129.21 2dk3 n GLN 33 Ca 0.37 0.42 0.27 0.00 -0.01 0.00 0.00 57.00 58.05 2dk3 n GLN 33 Cb 0.49 -1.70 0.56 0.00 1.02 0.00 0.00 30.24 30.61 2dk3 n GLN 33 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 2dk3 h ASP 34 N -0.58 0.35 -3.26 1.08 2.03 -1.99 -3.46 116.42 110.58 2dk3 h ASP 34 Ca -0.42 0.08 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 2dk3 h ASP 34 Cb 1.62 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 40.15 2dk3 h ASP 34 CO -0.12 0.03 0.00 0.61 -1.03 0.00 0.00 179.24 178.72 2dk3 n GLY 35 N -1.52 4.14 3.61 7.15 0.00 -1.26 -4.22 105.19 113.09 2dk3 n GLY 35 Ca 0.27 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 2dk3 n GLY 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dk3 s SER 36 N 0.00 4.53 0.96 1.61 1.04 -1.26 -3.74 113.70 116.84 2dk3 s SER 36 Ca 0.00 -0.40 -0.12 0.00 0.48 0.00 0.00 55.95 55.91 2dk3 s SER 36 Cb 0.00 -0.90 0.17 0.00 0.10 0.00 0.00 66.02 65.39 2dk3 s SER 36 CO 0.00 0.14 1.09 -2.16 0.98 0.00 0.00 173.24 173.30 2dk3 s PRO 37 N -2.49 0.71 -0.36 4.02 0.04 -1.26 -5.01 135.00 130.66 2dk3 s PRO 37 Ca 0.24 0.63 -0.34 0.00 0.04 0.00 0.00 61.00 61.57 2dk3 s PRO 37 Cb -0.10 -1.76 -0.14 0.00 0.04 0.00 0.00 34.50 32.53 2dk3 s PRO 37 CO 0.16 -2.57 1.15 1.04 0.04 0.00 0.00 177.00 176.82 2dk3 n GLN 38 N -4.08 0.00 -0.15 4.56 6.02 -1.26 -4.90 117.38 117.58 2dk3 n GLN 38 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2dk3 n GLN 38 Cb 0.56 -1.08 0.00 0.00 1.02 0.00 0.00 30.24 30.74 2dk3 n GLN 38 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dk3 n GLY 39 N 2.86 6.25 3.31 1.08 0.00 -1.25 -5.12 105.19 112.31 2dk3 n GLY 39 Ca 0.22 -1.72 -0.22 0.00 0.00 0.00 0.00 46.02 44.30 2dk3 n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dk3 s GLU 40 N 0.78 1.19 0.00 1.61 2.02 -1.26 -4.84 118.70 118.20 2dk3 s GLU 40 Ca 0.00 -1.29 0.00 0.00 0.02 0.00 0.00 54.97 53.70 2dk3 s GLU 40 Cb 0.00 -1.32 0.00 0.00 0.10 0.00 0.00 34.13 32.91 2dk3 s GLU 40 CO 0.00 0.28 0.00 0.41 0.02 0.00 0.00 175.26 175.97 2dk3 n GLY 41 N 0.64 5.32 3.27 -1.39 0.00 -0.49 -4.21 105.19 108.33 2dk3 n GLY 41 Ca -0.16 -2.11 -0.05 0.00 0.00 0.00 0.00 46.02 43.71 2dk3 n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dk3 s THR 42 N 0.38 -0.79 0.34 2.61 2.01 -1.23 -3.07 115.64 115.89 2dk3 s THR 42 Ca 0.00 0.05 -0.27 0.00 0.31 0.00 0.00 61.69 61.78 2dk3 s THR 42 Cb 0.00 -0.83 -0.13 0.00 0.01 0.00 0.00 72.50 71.55 2dk3 s THR 42 CO 0.00 0.00 1.08 0.52 -0.69 0.00 0.00 174.62 175.54 2dk3 n VAL 43 N 5.41 2.12 -0.12 3.82 0.31 -0.60 -0.79 118.33 128.47 2dk3 n VAL 43 Ca -0.07 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 2dk3 n VAL 43 Cb 0.50 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 2dk3 n VAL 43 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 2dk3 n THR 44 N 0.04 0.00 -4.10 2.52 5.66 0.59 0.68 114.28 119.67 2dk3 n THR 44 Ca 0.08 -0.32 -0.13 0.00 -3.05 0.00 0.00 64.05 60.63 2dk3 n THR 44 Cb 0.35 1.12 -0.11 0.00 -1.55 0.00 0.00 70.33 70.14 2dk3 n THR 44 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2dk3 s GLY 45 N -0.43 0.62 -0.07 1.09 0.00 -0.61 -4.67 107.32 103.26 2dk3 s GLY 45 Ca 0.00 -0.93 -0.28 0.00 0.00 0.00 0.00 44.72 43.51 2dk3 s GLY 45 CO 0.00 -0.99 0.92 -0.54 0.00 0.00 0.00 173.10 172.49 2dk3 s GLU 46 N -2.11 4.46 -0.66 2.90 2.02 -1.26 -3.87 118.70 120.18 2dk3 s GLU 46 Ca -0.04 1.26 -0.30 0.00 0.02 0.00 0.00 54.97 55.91 2dk3 s GLU 46 Cb -0.07 -3.50 -0.14 0.00 0.10 0.00 0.00 34.13 30.52 2dk3 s GLU 46 CO -0.00 -0.15 2.48 -0.11 0.02 0.00 0.00 175.26 177.49 2dk3 n LEU 47 N 4.42 1.46 -4.37 1.80 7.94 -1.25 -4.66 117.00 122.35 2dk3 n LEU 47 Ca 0.05 -0.03 -0.35 0.00 -1.11 0.00 0.00 56.01 54.57 2dk3 n LEU 47 Cb 0.50 -1.25 -0.13 0.00 0.53 0.00 0.00 43.42 43.07 2dk3 n LEU 47 CO 0.51 -1.06 -0.37 -1.38 -1.11 0.00 0.00 177.39 173.97 2dk3 s HIS 48 N 9.87 2.97 -1.67 1.96 -3.43 -0.37 -4.53 115.29 120.09 2dk3 s HIS 48 Ca 1.16 -0.71 0.00 0.00 -0.80 0.00 0.00 55.06 54.70 2dk3 s HIS 48 Cb -0.76 -2.06 0.00 0.00 -1.43 0.00 0.00 32.58 28.33 2dk3 s HIS 48 CO 0.40 -0.38 0.00 0.09 -2.00 0.00 0.00 174.74 172.85 2dk3 n ASN 49 N 4.39 -5.07 -0.10 7.38 4.13 -1.26 -1.28 115.26 123.44 2dk3 n ASN 49 Ca -0.18 0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.27 2dk3 n ASN 49 Cb 0.51 -4.34 0.00 0.00 -1.54 0.00 0.00 39.78 34.41 2dk3 n ASN 49 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dk3 n GLY 50 N -0.73 0.74 2.74 7.41 0.00 -1.26 -4.35 105.19 109.74 2dk3 n GLY 50 Ca -0.20 -0.68 -0.19 0.00 0.00 0.00 0.00 46.02 44.95 2dk3 n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dk3 s TRP 51 N -2.20 -0.24 -0.04 1.61 0.52 -0.41 -2.50 118.94 115.68 2dk3 s TRP 51 Ca 0.00 0.17 0.06 0.00 0.02 0.00 0.00 56.10 56.35 2dk3 s TRP 51 Cb 0.00 -0.39 -0.02 0.00 -1.15 0.00 0.00 33.47 31.91 2dk3 s TRP 51 CO 0.00 -0.60 -0.20 -1.50 0.02 0.00 0.00 176.95 174.67 2dk3 s ILE 52 N 2.31 2.58 0.15 2.03 -1.16 -1.22 -1.23 121.20 124.66 2dk3 s ILE 52 Ca 0.07 -0.91 -0.06 0.00 -0.51 0.00 0.00 60.65 59.24 2dk3 s ILE 52 Cb -0.16 -1.96 -0.06 0.00 0.61 0.00 0.00 42.46 40.89 2dk3 s ILE 52 CO -0.12 0.59 0.40 -1.81 -2.81 0.00 0.00 174.94 171.19 2dk3 s ASP 53 N -0.67 6.53 -0.05 4.50 1.11 -1.25 -1.96 116.67 124.87 2dk3 s ASP 53 Ca 0.11 0.66 -0.02 0.00 0.18 0.00 0.00 52.55 53.48 2dk3 s ASP 53 Cb -0.10 -2.12 0.03 0.00 1.07 0.00 0.00 42.92 41.80 2dk3 s ASP 53 CO -0.00 0.05 0.11 0.54 1.18 0.00 0.00 175.17 177.04 2dk3 s VAL 54 N -1.65 -0.04 -0.51 -1.27 0.11 -0.82 -0.30 120.40 115.91 2dk3 s VAL 54 Ca 0.41 0.16 -0.12 0.00 -2.93 0.00 0.00 61.98 59.49 2dk3 s VAL 54 Cb -0.12 -0.18 0.13 0.00 -1.53 0.00 0.00 36.38 34.68 2dk3 s VAL 54 CO 0.23 0.06 0.43 -0.89 -3.33 0.00 0.00 175.10 171.61 2dk3 s THR 55 N 0.93 4.71 0.47 5.04 2.01 0.03 -3.01 115.64 125.82 2dk3 s THR 55 Ca -0.07 -1.68 -0.23 0.00 0.31 0.00 0.00 61.69 60.01 2dk3 s THR 55 Cb -0.10 -4.06 -0.07 0.00 0.01 0.00 0.00 72.50 68.28 2dk3 s THR 55 CO -0.04 -0.83 1.25 0.26 -0.69 0.00 0.00 174.62 174.57 2dk3 s TRP 56 N 1.43 2.72 0.20 4.92 0.52 -0.41 -3.56 118.94 124.75 2dk3 s TRP 56 Ca 0.05 1.47 -0.12 0.00 0.02 0.00 0.00 56.10 57.52 2dk3 s TRP 56 Cb -0.28 -3.56 0.24 0.00 -1.15 0.00 0.00 33.47 28.73 2dk3 s TRP 56 CO 0.01 -2.00 1.69 0.22 0.02 0.00 0.00 176.95 176.89 2dk3 h ASP 57 N 2.06 -0.13 -0.73 2.95 1.82 -1.85 -2.08 116.42 118.45 2dk3 h ASP 57 Ca -0.50 0.12 0.14 0.00 -0.39 0.00 0.00 57.03 56.40 2dk3 h ASP 57 Cb 1.26 0.19 -0.13 0.00 0.68 0.00 0.00 39.33 41.33 2dk3 h ASP 57 CO 0.60 -0.04 -0.21 0.00 -1.61 0.00 0.00 179.24 177.98 2dk3 n ALA 58 N -2.65 0.11 0.00 -0.78 0.00 -1.26 -4.73 120.51 111.19 2dk3 n ALA 58 Ca 0.07 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.30 2dk3 n ALA 58 Cb 0.30 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.31 2dk3 n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dk3 n GLY 59 N -1.43 0.27 0.00 0.00 0.00 -0.78 -5.13 105.19 98.12 2dk3 n GLY 59 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2dk3 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dk3 n GLY 60 N 0.00 2.09 3.10 -0.02 0.00 -1.23 -5.01 105.19 104.13 2dk3 n GLY 60 Ca 0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 2dk3 n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dk3 s SER 61 N 0.00 -0.02 0.20 1.61 1.04 -1.26 -1.29 113.70 113.98 2dk3 s SER 61 Ca 0.00 -0.09 -0.23 0.00 0.48 0.00 0.00 55.95 56.11 2dk3 s SER 61 Cb 0.00 0.24 0.05 0.00 0.10 0.00 0.00 66.02 66.41 2dk3 s SER 61 CO 0.00 -0.31 0.90 0.21 0.98 0.00 0.00 173.24 175.01 2dk3 s ASN 62 N -1.10 -0.17 -0.09 7.02 3.04 -1.16 -4.97 114.94 117.51 2dk3 s ASN 62 Ca -0.12 -0.53 -0.11 0.00 0.04 0.00 0.00 52.86 52.14 2dk3 s ASN 62 Cb -0.06 0.57 -0.05 0.00 -1.54 0.00 0.00 41.25 40.17 2dk3 s ASN 62 CO 0.01 -1.08 0.25 -0.44 -3.04 0.00 0.00 177.10 172.81 2dk3 s SER 63 N -2.99 6.52 -0.02 -4.21 0.01 -1.26 -1.95 113.70 109.80 2dk3 s SER 63 Ca 0.13 0.61 0.06 0.00 1.31 0.00 0.00 55.95 58.06 2dk3 s SER 63 Cb -0.03 -2.15 -0.01 0.00 0.21 0.00 0.00 66.02 64.04 2dk3 s SER 63 CO 0.04 0.32 -0.20 -0.31 0.41 0.00 0.00 173.24 173.50 2dk3 s TYR 64 N -0.71 1.78 -0.13 2.43 2.02 -0.83 -4.98 117.35 116.94 2dk3 s TYR 64 Ca 0.17 -0.35 -0.29 0.00 -0.37 0.00 0.00 57.07 56.23 2dk3 s TYR 64 Cb -0.14 -1.15 -0.05 0.00 -0.40 0.00 0.00 41.96 40.22 2dk3 s TYR 64 CO 0.06 -0.04 1.90 1.03 -1.57 0.00 0.00 175.55 176.94 2dk3 s ARG 65 N -0.43 3.73 -0.16 -0.62 0.52 -1.26 -3.41 118.95 117.33 2dk3 s ARG 65 Ca 0.07 2.10 0.15 0.00 -0.52 0.00 0.00 55.73 57.52 2dk3 s ARG 65 Cb -0.08 -4.17 0.42 0.00 0.52 0.00 0.00 34.95 31.64 2dk3 s ARG 65 CO -0.01 -1.40 1.20 -1.33 0.02 0.00 0.00 175.30 173.79 2dk3 n MET 66 N 7.92 1.22 0.00 3.54 2.81 -1.11 -0.58 117.12 130.92 2dk3 n MET 66 Ca 0.22 -2.98 0.00 0.00 -1.81 0.00 0.00 57.70 53.13 2dk3 n MET 66 Cb 0.44 -1.20 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 2dk3 n MET 66 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dk3 n GLY 67 N -0.67 0.95 0.32 3.03 0.00 -1.00 -4.84 105.19 103.00 2dk3 n GLY 67 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 2dk3 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dk3 n ALA 68 N 0.00 0.13 -0.63 4.61 0.00 -1.04 -0.27 120.51 123.32 2dk3 n ALA 68 Ca 0.00 0.95 0.06 0.00 0.00 0.00 0.00 53.44 54.45 2dk3 n ALA 68 Cb 0.00 -0.54 0.13 0.00 0.00 0.00 0.00 19.45 19.04 2dk3 n ALA 68 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2dk3 n GLU 69 N -5.40 2.32 -1.14 0.00 1.02 -1.26 -4.95 120.64 111.23 2dk3 n GLU 69 Ca 0.13 -2.26 0.00 0.00 -0.02 0.00 0.00 57.16 55.01 2dk3 n GLU 69 Cb 0.42 -1.40 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 2dk3 n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dk3 n GLY 70 N -0.71 0.49 3.23 0.62 0.00 0.63 -5.05 105.19 104.39 2dk3 n GLY 70 Ca 0.12 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.91 2dk3 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk3 s LYS 71 N -2.32 3.07 -0.56 1.61 -0.14 -1.26 -4.88 119.74 115.25 2dk3 s LYS 71 Ca 0.00 -0.87 -0.13 0.00 -1.36 0.00 0.00 55.97 53.61 2dk3 s LYS 71 Cb 0.00 -2.32 0.14 0.00 -1.68 0.00 0.00 37.83 33.97 2dk3 s LYS 71 CO 0.00 0.18 0.49 -0.06 -0.76 0.00 0.00 175.35 175.19 2dk3 s PHE 72 N 0.35 3.39 -0.17 3.18 0.08 -1.25 -2.37 117.98 121.19 2dk3 s PHE 72 Ca -0.18 -1.64 0.16 0.00 0.12 0.00 0.00 56.93 55.39 2dk3 s PHE 72 Cb -0.18 -3.68 0.04 0.00 -0.57 0.00 0.00 43.02 38.63 2dk3 s PHE 72 CO 0.09 -1.00 1.32 -0.44 -0.10 0.00 0.00 175.22 175.08 2dk3 h ASP 73 N 8.51 0.00 -2.04 1.36 3.32 -1.17 -3.01 116.42 123.39 2dk3 h ASP 73 Ca -0.20 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.27 2dk3 h ASP 73 Cb 1.08 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.52 2dk3 h ASP 73 CO 0.93 0.46 -0.65 -0.76 -1.72 0.00 0.00 179.24 177.50 2dk3 s LEU 74 N -6.26 2.95 0.35 1.55 1.43 -1.26 -0.37 118.68 117.07 2dk3 s LEU 74 Ca 0.03 -0.93 -0.15 0.00 -1.03 0.00 0.00 54.13 52.05 2dk3 s LEU 74 Cb 0.08 -1.38 0.04 0.00 0.03 0.00 0.00 46.19 44.96 2dk3 s LEU 74 CO 0.76 -0.13 0.72 -1.59 0.23 0.00 0.00 176.35 176.33 2dk3 s LYS 75 N -3.67 2.06 0.30 1.70 -2.85 -0.17 -4.54 119.74 112.58 2dk3 s LYS 75 Ca 0.33 -1.37 -0.29 0.00 -1.00 0.00 0.00 55.97 53.64 2dk3 s LYS 75 Cb -0.02 0.59 -0.10 0.00 -2.06 0.00 0.00 37.83 36.24 2dk3 s LYS 75 CO 0.19 -0.95 1.22 -0.51 0.10 0.00 0.00 175.35 175.40 2dk3 s LEU 76 N -3.05 4.48 0.64 2.77 1.43 -1.26 -0.69 118.68 122.99 2dk3 s LEU 76 Ca 0.17 2.49 -0.17 0.00 -1.03 0.00 0.00 54.13 55.58 2dk3 s LEU 76 Cb -0.04 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.53 2dk3 s LEU 76 CO 0.11 -0.36 1.18 0.00 0.23 0.00 0.00 176.35 177.51 2dk3 s ALA 77 N -1.07 2.42 -0.99 4.21 0.00 -1.23 -4.54 121.76 120.56 2dk3 s ALA 77 Ca 0.47 0.86 -0.24 0.00 0.00 0.00 0.00 51.96 53.06 2dk3 s ALA 77 Cb -0.36 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.28 2dk3 s ALA 77 CO 0.47 -1.35 1.94 -1.25 0.00 0.00 0.00 175.76 175.57 2dk3 s PRO 78 N -3.65 2.53 0.00 0.00 0.04 -1.26 -2.03 135.00 130.64 2dk3 s PRO 78 Ca 0.74 -0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.23 2dk3 s PRO 78 Cb -0.27 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.15 2dk3 s PRO 78 CO 0.38 -3.56 0.00 0.41 0.04 0.00 0.00 177.00 174.26 2dk3 n GLY 79 N 6.54 0.58 3.89 0.56 0.00 -1.26 -5.13 105.19 110.36 2dk3 n GLY 79 Ca 0.42 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.10 2dk3 n GLY 79 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2dk3 s TYR 80 N -1.36 3.56 0.14 1.61 6.14 -0.86 -5.11 117.35 121.47 2dk3 s TYR 80 Ca 0.00 0.55 0.09 0.00 0.64 0.00 0.00 57.07 58.35 2dk3 s TYR 80 Cb 0.00 -1.98 -0.04 0.00 0.42 0.00 0.00 41.96 40.36 2dk3 s TYR 80 CO 0.00 0.59 -0.21 -1.54 0.64 0.00 0.00 175.55 175.03 2dk3 s SER 81 N -1.84 2.75 0.78 4.32 1.04 -1.26 -4.86 113.70 114.63 2dk3 s SER 81 Ca 0.30 -0.77 -0.14 0.00 0.48 0.00 0.00 55.95 55.81 2dk3 s SER 81 Cb -0.13 -0.16 0.04 0.00 0.10 0.00 0.00 66.02 65.87 2dk3 s SER 81 CO 0.18 0.04 1.06 0.61 0.98 0.00 0.00 173.24 176.11 2dk3 n GLY 82 N 0.71 -0.30 3.57 7.32 0.00 -1.26 -4.87 105.19 110.36 2dk3 n GLY 82 Ca -0.16 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 2dk3 n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dk3 s PRO 83 N -3.73 2.93 -1.17 1.61 0.04 -1.26 -3.37 135.00 130.05 2dk3 s PRO 83 Ca 0.73 0.89 -0.06 0.00 0.04 0.00 0.00 61.00 62.59 2dk3 s PRO 83 Cb -0.31 -4.30 0.05 0.00 0.04 0.00 0.00 34.50 29.98 2dk3 s PRO 83 CO 0.51 -2.36 0.34 0.43 0.04 0.00 0.00 177.00 175.96 2dk3 n SER 84 N 11.65 -3.66 -0.04 6.66 7.64 -1.26 -4.79 113.62 129.82 2dk3 n SER 84 Ca 0.21 -0.19 -0.06 0.00 1.01 0.00 0.00 58.87 59.83 2dk3 n SER 84 Cb 0.50 -3.06 -0.03 0.00 -1.01 0.00 0.00 64.21 60.61 2dk3 n SER 84 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dk3 n SER 85 N -2.13 2.71 0.00 6.43 2.88 -1.22 -5.30 113.62 116.99 2dk3 n SER 85 Ca -0.05 -0.01 0.04 0.00 -1.33 0.00 0.00 58.87 57.53 2dk3 n SER 85 Cb 0.56 -0.15 0.26 0.00 -0.75 0.00 0.00 64.21 64.13 2dk3 n SER 85 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42