#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk3 h SER 2 N 0.00 0.08 -0.73 1.61 0.02 -2.09 -3.46 113.55 108.97 2dk3 h SER 2 Ca 0.00 -0.85 -0.54 0.00 -0.84 0.00 0.00 61.79 59.56 2dk3 h SER 2 Cb 0.00 -0.02 0.06 0.00 0.14 0.00 0.00 62.40 62.57 2dk3 h SER 2 CO 0.00 0.92 -0.16 -0.24 -1.14 0.00 0.00 176.83 176.21 2dk3 n SER 3 N -4.61 -0.43 -0.91 3.07 2.88 -1.26 -4.42 113.62 107.95 2dk3 n SER 3 Ca -0.10 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 2dk3 n SER 3 Cb 0.46 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 2dk3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk3 n GLY 4 N 1.27 -3.16 2.55 0.46 0.00 -1.26 -5.01 105.19 100.04 2dk3 n GLY 4 Ca 0.14 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 2dk3 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dk3 n SER 5 N 0.07 2.85 -4.88 1.61 7.64 -1.26 -5.06 113.62 114.59 2dk3 n SER 5 Ca 0.00 -2.94 -0.30 0.00 1.01 0.00 0.00 58.87 56.64 2dk3 n SER 5 Cb 0.00 -0.47 0.03 0.00 -1.01 0.00 0.00 64.21 62.76 2dk3 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dk3 s SER 6 N -3.49 5.85 0.08 6.43 0.15 -1.26 -5.09 113.70 116.37 2dk3 s SER 6 Ca 0.36 1.17 -0.01 0.00 0.70 0.00 0.00 55.95 58.17 2dk3 s SER 6 Cb 0.40 -2.14 0.01 0.00 -1.71 0.00 0.00 66.02 62.57 2dk3 s SER 6 CO -0.03 -1.05 0.12 0.61 1.20 0.00 0.00 173.24 174.09 2dk3 n GLY 7 N -2.78 2.56 0.88 9.45 0.00 -1.26 -5.09 105.19 108.95 2dk3 n GLY 7 Ca 0.06 -1.31 -0.04 0.00 0.00 0.00 0.00 46.02 44.72 2dk3 n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dk3 n VAL 8 N -0.12 0.47 0.09 1.61 0.31 -1.26 -4.73 118.33 114.70 2dk3 n VAL 8 Ca -0.00 0.04 -0.14 0.00 -0.01 0.00 0.00 64.34 64.23 2dk3 n VAL 8 Cb 0.13 -1.59 -0.10 0.00 -0.91 0.00 0.00 33.84 31.36 2dk3 n VAL 8 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2dk3 h ARG 9 N -0.15 0.27 -1.73 5.55 9.65 -2.05 -3.28 114.38 122.64 2dk3 h ARG 9 Ca -0.08 -0.40 -0.23 0.00 -1.10 0.00 0.00 59.98 58.17 2dk3 h ARG 9 Cb 0.87 0.14 -0.09 0.00 -1.39 0.00 0.00 29.97 29.50 2dk3 h ARG 9 CO -0.05 1.15 0.24 -1.13 2.80 0.00 0.00 179.97 182.98 2dk3 n SER 10 N -3.58 6.06 -0.09 -3.80 3.41 -1.26 -4.25 113.62 110.10 2dk3 n SER 10 Ca -0.07 -2.84 -0.16 0.00 -0.26 0.00 0.00 58.87 55.54 2dk3 n SER 10 Cb 0.95 -1.11 -0.09 0.00 -0.26 0.00 0.00 64.21 63.70 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 1.51 0.00 -0.72 4.33 4.15 -1.85 -3.37 115.11 119.16 2dk3 h GLN 11 Ca 0.20 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.80 2dk3 h GLN 11 Cb 0.96 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.61 2dk3 h GLN 11 CO 0.50 0.71 0.50 -0.24 -1.93 0.00 0.00 178.83 178.37 2dk3 h VAL 12 N -1.00 0.71 -0.07 2.39 3.04 -1.87 0.19 116.25 119.64 2dk3 h VAL 12 Ca -0.22 -0.07 0.02 0.00 -1.01 0.00 0.00 66.70 65.42 2dk3 h VAL 12 Cb 1.03 0.50 -0.00 0.00 -2.01 0.00 0.00 31.29 30.80 2dk3 h VAL 12 CO -0.13 0.04 0.21 -0.07 -1.01 0.00 0.00 177.57 176.60 2dk3 h LEU 13 N 0.20 0.00 -0.72 3.16 3.38 -1.86 0.39 115.31 119.86 2dk3 h LEU 13 Ca 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 2dk3 h LEU 13 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 2dk3 h LEU 13 CO -0.07 0.00 -0.03 0.11 0.09 0.00 0.00 178.44 178.54 2dk3 h LYS 14 N 0.00 0.00 -0.01 1.13 1.57 -0.81 -3.01 116.57 115.44 2dk3 h LYS 14 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2dk3 h LYS 14 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2dk3 h LYS 14 CO -0.00 0.03 -0.59 0.66 -0.57 0.00 0.00 179.45 178.98 2dk3 n TYR 15 N -3.12 0.00 -1.22 -1.35 4.02 0.13 -4.75 117.16 110.87 2dk3 n TYR 15 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 2dk3 n TYR 15 Cb 0.43 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.71 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 -0.72 1.75 -4.26 -0.72 2.81 -0.78 -4.83 117.12 110.37 2dk3 n MET 16 Ca 0.06 -1.94 -0.26 0.00 -1.81 0.00 0.00 57.70 53.75 2dk3 n MET 16 Cb 0.33 -2.95 -0.08 0.00 -0.71 0.00 0.00 33.22 29.81 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 4.63 3.45 -0.75 2.03 -7.23 -1.26 -3.42 120.40 117.85 2dk3 s VAL 17 Ca 0.55 -1.64 -0.26 0.00 -1.81 0.00 0.00 61.98 58.82 2dk3 s VAL 17 Cb 0.14 -2.76 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 2dk3 s VAL 17 CO 0.08 -0.18 1.90 -2.16 -0.31 0.00 0.00 175.10 174.43 2dk3 s PRO 18 N -3.09 2.60 0.00 4.82 0.04 -1.26 -2.44 135.00 135.67 2dk3 s PRO 18 Ca 0.27 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.51 2dk3 s PRO 18 Cb -0.08 -4.70 0.00 0.00 0.04 0.00 0.00 34.50 29.76 2dk3 s PRO 18 CO 0.18 -3.03 0.00 0.41 0.04 0.00 0.00 177.00 174.60 2dk3 n GLY 19 N 6.23 -0.22 2.01 0.56 0.00 0.48 -4.81 105.19 109.43 2dk3 n GLY 19 Ca 0.29 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 2dk3 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dk3 n ALA 20 N 0.00 -0.02 -2.75 4.61 0.00 -1.02 -4.87 120.51 116.45 2dk3 n ALA 20 Ca 0.00 -1.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.11 2dk3 n ALA 20 Cb 0.00 0.14 -0.13 0.00 0.00 0.00 0.00 19.45 19.46 2dk3 n ALA 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2dk3 s ARG 21 N -3.89 2.99 0.15 0.00 1.81 -1.26 -2.18 118.95 116.57 2dk3 s ARG 21 Ca 0.35 -0.64 -0.07 0.00 -1.72 0.00 0.00 55.73 53.65 2dk3 s ARG 21 Cb -0.02 -2.57 -0.02 0.00 -0.45 0.00 0.00 34.95 31.89 2dk3 s ARG 21 CO 0.23 0.45 0.23 0.14 -0.68 0.00 0.00 175.30 175.67 2dk3 s VAL 22 N -0.26 0.08 0.22 3.52 -7.23 -1.25 -2.76 120.40 112.71 2dk3 s VAL 22 Ca 0.02 -1.51 -0.06 0.00 -1.81 0.00 0.00 61.98 58.62 2dk3 s VAL 22 Cb -0.13 -1.88 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 2dk3 s VAL 22 CO 0.03 -0.35 0.29 0.27 -0.31 0.00 0.00 175.10 175.03 2dk3 s ILE 23 N -3.98 0.00 0.17 -0.62 -4.36 0.12 -1.87 121.20 110.66 2dk3 s ILE 23 Ca 0.18 -1.73 -0.34 0.00 -0.26 0.00 0.00 60.65 58.51 2dk3 s ILE 23 Cb 0.04 -2.36 -0.14 0.00 1.25 0.00 0.00 42.46 41.25 2dk3 s ILE 23 CO 0.00 -0.00 1.53 -2.11 0.24 0.00 0.00 174.94 174.60 2dk3 n ARG 24 N -0.32 2.05 0.00 0.37 -4.01 -1.26 -1.72 116.66 111.78 2dk3 n ARG 24 Ca 0.00 0.74 0.00 0.00 -1.04 0.00 0.00 57.85 57.55 2dk3 n ARG 24 Cb 0.64 -2.48 0.00 0.00 -3.04 0.00 0.00 32.46 27.58 2dk3 n ARG 24 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2dk3 n GLY 25 N 3.12 0.69 0.09 2.89 0.00 0.13 -4.76 105.19 107.35 2dk3 n GLY 25 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 2dk3 n GLY 25 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2dk3 n LEU 26 N 0.00 2.79 -1.52 0.99 -0.00 -1.24 -4.52 117.00 113.50 2dk3 n LEU 26 Ca 0.00 -0.09 -0.05 0.00 -0.00 0.00 0.00 56.01 55.87 2dk3 n LEU 26 Cb 0.00 -0.57 0.02 0.00 -0.00 0.00 0.00 43.42 42.87 2dk3 n LEU 26 CO 0.00 0.78 0.96 -0.67 -0.00 0.00 0.00 177.39 178.45 2dk3 n ASP 27 N -2.99 5.06 -4.49 1.45 2.03 -1.21 -4.76 116.55 111.63 2dk3 n ASP 27 Ca -0.31 -2.54 -0.44 0.00 0.52 0.00 0.00 54.79 52.02 2dk3 n ASP 27 Cb 0.85 -0.96 -0.01 0.00 -0.72 0.00 0.00 41.12 40.28 2dk3 n ASP 27 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 2dk3 s TRP 28 N -0.60 3.21 -0.32 -0.67 -0.11 -1.26 -4.62 118.94 114.56 2dk3 s TRP 28 Ca 0.10 -1.80 -0.00 0.00 1.22 0.00 0.00 56.10 55.62 2dk3 s TRP 28 Cb 0.08 -4.43 0.28 0.00 -1.50 0.00 0.00 33.47 27.90 2dk3 s TRP 28 CO 0.00 -1.54 1.85 0.36 -4.62 0.00 0.00 176.95 173.00 2dk3 n LYS 29 N 6.63 1.83 -4.28 5.86 2.85 -1.26 -4.88 118.16 124.91 2dk3 n LYS 29 Ca 0.37 -1.72 -0.19 0.00 -1.05 0.00 0.00 58.31 55.71 2dk3 n LYS 29 Cb 0.45 -1.68 -0.11 0.00 -0.65 0.00 0.00 35.03 33.04 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 -1.97 1.57 0.75 5.58 0.52 -1.26 -5.15 118.94 118.98 2dk3 s TRP 30 Ca 0.34 -0.53 -0.13 0.00 0.02 0.00 0.00 56.10 55.80 2dk3 s TRP 30 Cb 0.27 -0.80 0.19 0.00 -1.15 0.00 0.00 33.47 31.98 2dk3 s TRP 30 CO 0.02 0.22 0.47 0.54 0.02 0.00 0.00 176.95 178.21 2dk3 n ARG 31 N 0.41 -3.34 -2.03 4.98 1.74 -1.26 -4.77 116.66 112.37 2dk3 n ARG 31 Ca -0.14 -0.78 -0.37 0.00 -0.77 0.00 0.00 57.85 55.79 2dk3 n ARG 31 Cb 0.57 -0.97 -0.03 0.00 -1.02 0.00 0.00 32.46 31.01 2dk3 n ARG 31 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2dk3 n ASP 32 N -4.42 3.69 0.13 0.55 8.00 -1.26 -4.67 116.55 118.57 2dk3 n ASP 32 Ca 0.07 -2.78 -0.01 0.00 0.71 0.00 0.00 54.79 52.78 2dk3 n ASP 32 Cb 0.31 -1.63 0.11 0.00 -0.02 0.00 0.00 41.12 39.90 2dk3 n ASP 32 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2dk3 h GLN 33 N 8.24 0.00 -1.16 -1.24 1.08 -2.00 -3.14 115.11 116.89 2dk3 h GLN 33 Ca 0.37 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 57.20 2dk3 h GLN 33 Cb 0.83 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 28.07 2dk3 h GLN 33 CO 1.51 0.66 0.48 -0.25 -0.95 0.00 0.00 178.83 180.28 2dk3 n ASP 34 N -3.58 4.96 -0.17 1.46 8.00 -1.26 -2.58 116.55 123.37 2dk3 n ASP 34 Ca -0.00 -3.14 0.00 0.00 0.71 0.00 0.00 54.79 52.36 2dk3 n ASP 34 Cb 0.69 -0.86 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 2dk3 n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dk3 n GLY 35 N -0.33 -3.01 3.49 0.44 0.00 -1.19 -1.78 105.19 102.81 2dk3 n GLY 35 Ca 0.39 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.89 4.71 1.01 1.61 1.04 -1.26 -2.41 113.70 115.51 2dk3 s SER 36 Ca 0.00 -0.14 -0.12 0.00 0.48 0.00 0.00 55.95 56.16 2dk3 s SER 36 Cb 0.00 -1.74 0.20 0.00 0.10 0.00 0.00 66.02 64.58 2dk3 s SER 36 CO 0.00 0.18 1.09 -2.16 0.98 0.00 0.00 173.24 173.33 2dk3 s PRO 37 N 0.29 0.31 0.12 4.02 0.04 -1.26 -5.05 135.00 133.48 2dk3 s PRO 37 Ca -0.04 0.49 -0.25 0.00 0.04 0.00 0.00 61.00 61.23 2dk3 s PRO 37 Cb -0.14 -1.73 -0.14 0.00 0.04 0.00 0.00 34.50 32.53 2dk3 s PRO 37 CO 0.03 -2.80 0.54 0.00 0.04 0.00 0.00 177.00 174.81 2dk3 n GLN 38 N -4.22 0.00 0.00 4.56 10.64 -1.01 -4.95 117.38 122.39 2dk3 n GLN 38 Ca 0.05 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.22 2dk3 n GLN 38 Cb 0.57 -0.92 0.00 0.00 -0.86 0.00 0.00 30.24 29.04 2dk3 n GLN 38 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2dk3 n GLY 39 N 1.51 4.52 3.00 2.61 0.00 -0.74 -4.98 105.19 111.12 2dk3 n GLY 39 Ca 0.15 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 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 4.74 0.37 0.00 1.61 2.02 -1.26 -4.67 118.70 121.52 2dk3 s GLU 40 Ca 0.00 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.37 2dk3 s GLU 40 Cb 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.19 2dk3 s GLU 40 CO 0.00 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.68 2dk3 n GLY 41 N 1.65 5.42 3.48 -1.39 0.00 -0.78 -4.01 105.19 109.55 2dk3 n GLY 41 Ca -0.23 -1.80 0.01 0.00 0.00 0.00 0.00 46.02 44.00 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 1.80 -0.91 0.30 2.61 2.01 -1.23 -3.87 115.64 116.34 2dk3 s THR 42 Ca 0.00 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 2dk3 s THR 42 Cb 0.00 -1.00 -0.12 0.00 0.01 0.00 0.00 72.50 71.39 2dk3 s THR 42 CO 0.00 0.00 1.47 0.52 -0.69 0.00 0.00 174.62 175.92 2dk3 n VAL 43 N 5.38 1.33 -0.08 3.82 0.31 -0.92 -0.26 118.33 127.91 2dk3 n VAL 43 Ca -0.09 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 2dk3 n VAL 43 Cb 0.50 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 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 1.49 0.00 -4.23 2.52 5.66 -0.13 0.18 114.28 119.77 2dk3 n THR 44 Ca 0.08 -0.35 -0.19 0.00 -3.05 0.00 0.00 64.05 60.54 2dk3 n THR 44 Cb 0.35 1.08 -0.12 0.00 -1.55 0.00 0.00 70.33 70.09 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 -0.52 0.81 -0.05 1.09 0.00 -0.75 -4.61 107.32 103.29 2dk3 s GLY 45 Ca 0.00 -0.91 -0.30 0.00 0.00 0.00 0.00 44.72 43.51 2dk3 s GLY 45 CO 0.00 -0.92 0.98 -0.54 0.00 0.00 0.00 173.10 172.62 2dk3 s GLU 46 N -1.48 4.49 -0.65 2.90 2.02 -1.26 -3.68 118.70 121.03 2dk3 s GLU 46 Ca -0.01 1.39 -0.32 0.00 0.02 0.00 0.00 54.97 56.04 2dk3 s GLU 46 Cb -0.09 -3.50 -0.15 0.00 0.10 0.00 0.00 34.13 30.49 2dk3 s GLU 46 CO 0.02 -0.17 2.44 -0.11 0.02 0.00 0.00 175.26 177.46 2dk3 n LEU 47 N 4.40 1.32 -4.45 1.80 7.94 -1.22 -4.65 117.00 122.14 2dk3 n LEU 47 Ca 0.07 0.12 -0.36 0.00 -1.11 0.00 0.00 56.01 54.74 2dk3 n LEU 47 Cb 0.50 -1.17 -0.12 0.00 0.53 0.00 0.00 43.42 43.15 2dk3 n LEU 47 CO 0.52 -0.94 -0.31 -1.38 -1.11 0.00 0.00 177.39 174.17 2dk3 s HIS 48 N 9.04 3.07 -1.07 1.96 -3.43 0.70 -4.50 115.29 121.06 2dk3 s HIS 48 Ca 1.18 -0.44 0.00 0.00 -0.80 0.00 0.00 55.06 55.00 2dk3 s HIS 48 Cb -0.91 -2.15 0.00 0.00 -1.43 0.00 0.00 32.58 28.08 2dk3 s HIS 48 CO 0.45 -0.28 0.00 0.09 -2.00 0.00 0.00 174.74 173.00 2dk3 n ASN 49 N 4.53 -3.88 -0.03 7.38 4.13 -1.26 -0.45 115.26 125.67 2dk3 n ASN 49 Ca -0.17 0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.29 2dk3 n ASN 49 Cb 0.52 -3.31 0.00 0.00 -1.54 0.00 0.00 39.78 35.44 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 -0.78 0.84 2.70 7.41 0.00 -1.26 -4.24 105.19 109.85 2dk3 n GLY 50 Ca -0.15 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.06 -0.09 -0.02 1.61 0.52 0.40 -2.25 118.94 117.05 2dk3 s TRP 51 Ca 0.00 0.03 0.06 0.00 0.02 0.00 0.00 56.10 56.21 2dk3 s TRP 51 Cb 0.00 -0.48 -0.03 0.00 -1.15 0.00 0.00 33.47 31.81 2dk3 s TRP 51 CO 0.00 -0.55 -0.19 -1.50 0.02 0.00 0.00 176.95 174.73 2dk3 s ILE 52 N 2.25 2.63 0.18 2.03 -1.16 -1.20 -0.21 121.20 125.72 2dk3 s ILE 52 Ca 0.05 -0.96 -0.04 0.00 -0.51 0.00 0.00 60.65 59.19 2dk3 s ILE 52 Cb -0.16 -2.01 -0.05 0.00 0.61 0.00 0.00 42.46 40.85 2dk3 s ILE 52 CO -0.11 0.54 0.41 -1.81 -2.81 0.00 0.00 174.94 171.16 2dk3 s ASP 53 N -0.83 6.45 -0.11 4.50 1.11 -1.24 -2.01 116.67 124.54 2dk3 s ASP 53 Ca 0.12 0.55 -0.06 0.00 0.18 0.00 0.00 52.55 53.33 2dk3 s ASP 53 Cb -0.10 -2.07 0.04 0.00 1.07 0.00 0.00 42.92 41.85 2dk3 s ASP 53 CO 0.01 -0.01 0.26 0.54 1.18 0.00 0.00 175.17 177.15 2dk3 s VAL 54 N -1.78 -0.03 -0.72 -1.27 0.11 -1.05 -0.95 120.40 114.70 2dk3 s VAL 54 Ca 0.41 0.11 -0.12 0.00 -2.93 0.00 0.00 61.98 59.44 2dk3 s VAL 54 Cb -0.12 -0.39 0.19 0.00 -1.53 0.00 0.00 36.38 34.53 2dk3 s VAL 54 CO 0.27 0.04 0.64 -0.89 -3.33 0.00 0.00 175.10 171.83 2dk3 s THR 55 N 1.00 5.17 0.84 5.04 2.01 0.64 -2.85 115.64 127.48 2dk3 s THR 55 Ca -0.07 -2.31 -0.12 0.00 0.31 0.00 0.00 61.69 59.50 2dk3 s THR 55 Cb -0.08 -4.25 0.10 0.00 0.01 0.00 0.00 72.50 68.28 2dk3 s THR 55 CO -0.07 -0.96 1.16 0.26 -0.69 0.00 0.00 174.62 174.33 2dk3 s TRP 56 N 0.49 1.85 0.02 4.92 0.52 -0.39 -3.57 118.94 122.77 2dk3 s TRP 56 Ca 0.14 1.71 -0.17 0.00 0.02 0.00 0.00 56.10 57.80 2dk3 s TRP 56 Cb -0.16 -3.36 -0.32 0.00 -1.15 0.00 0.00 33.47 28.48 2dk3 s TRP 56 CO -0.05 -2.65 1.02 -0.44 0.02 0.00 0.00 176.95 174.84 2dk3 h ASP 57 N -1.29 0.76 0.21 2.95 3.32 -1.89 -3.35 116.42 117.12 2dk3 h ASP 57 Ca -0.45 -0.89 -0.32 0.00 0.02 0.00 0.00 57.03 55.40 2dk3 h ASP 57 Cb 1.27 -0.24 0.04 0.00 0.22 0.00 0.00 39.33 40.62 2dk3 h ASP 57 CO 0.45 1.58 -1.36 0.00 -1.72 0.00 0.00 179.24 178.19 2dk3 h ALA 58 N 0.19 -0.11 -3.00 3.45 0.00 -1.84 -3.47 119.26 114.47 2dk3 h ALA 58 Ca -0.20 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 53.89 2dk3 h ALA 58 Cb 1.92 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.86 2dk3 h ALA 58 CO 0.23 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.55 2dk3 n GLY 59 N 1.60 2.22 0.00 0.00 0.00 -1.07 -4.85 105.19 103.10 2dk3 n GLY 59 Ca -0.16 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.02 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 5.00 4.62 3.53 -0.02 0.00 -1.26 -4.54 105.19 112.52 2dk3 n GLY 60 Ca 0.00 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 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 0.66 4.22 -0.08 1.61 1.04 -1.26 -1.26 113.70 118.63 2dk3 s SER 61 Ca 0.00 -0.27 -0.30 0.00 0.48 0.00 0.00 55.95 55.87 2dk3 s SER 61 Cb 0.00 -0.86 0.11 0.00 0.10 0.00 0.00 66.02 65.37 2dk3 s SER 61 CO 0.00 0.28 0.89 0.20 0.98 0.00 0.00 173.24 175.59 2dk3 s ASN 62 N -1.37 -0.43 0.01 7.02 -0.87 -1.13 -4.98 114.94 113.19 2dk3 s ASN 62 Ca 0.16 0.32 -0.20 0.00 -1.57 0.00 0.00 52.86 51.57 2dk3 s ASN 62 Cb -0.11 0.38 -0.06 0.00 -0.02 0.00 0.00 41.25 41.45 2dk3 s ASN 62 CO 0.06 -0.50 0.57 -0.94 -2.57 0.00 0.00 177.10 173.72 2dk3 s SER 63 N -1.61 6.97 0.08 -1.22 1.04 -1.26 -2.54 113.70 115.16 2dk3 s SER 63 Ca -0.01 1.16 0.09 0.00 0.48 0.00 0.00 55.95 57.66 2dk3 s SER 63 Cb -0.01 -2.35 -0.03 0.00 0.10 0.00 0.00 66.02 63.73 2dk3 s SER 63 CO -0.01 0.16 -0.23 -0.31 0.98 0.00 0.00 173.24 173.83 2dk3 s TYR 64 N -0.48 2.00 -0.11 5.02 1.51 -0.85 -4.98 117.35 119.46 2dk3 s TYR 64 Ca 0.30 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.67 2dk3 s TYR 64 Cb -0.18 -1.15 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 2dk3 s TYR 64 CO 0.17 0.18 1.55 1.03 -1.11 0.00 0.00 175.55 177.36 2dk3 s ARG 65 N -1.55 4.14 -0.14 -0.62 0.52 -1.26 -3.24 118.95 116.80 2dk3 s ARG 65 Ca 0.09 1.98 0.15 0.00 -0.52 0.00 0.00 55.73 57.43 2dk3 s ARG 65 Cb -0.10 -3.94 0.38 0.00 0.52 0.00 0.00 34.95 31.82 2dk3 s ARG 65 CO 0.03 -0.87 1.19 -1.33 0.02 0.00 0.00 175.30 174.34 2dk3 n MET 66 N 7.07 1.10 0.00 3.54 2.81 -0.96 -0.17 117.12 130.51 2dk3 n MET 66 Ca 0.17 -2.78 0.00 0.00 -1.81 0.00 0.00 57.70 53.28 2dk3 n MET 66 Cb 0.44 -1.18 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 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 -0.75 1.08 0.34 3.03 0.00 -1.16 -4.81 105.19 102.92 2dk3 n GLY 67 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.19 -0.99 4.61 0.00 -1.08 -0.05 120.51 122.82 2dk3 n ALA 68 Ca 0.00 0.85 0.09 0.00 0.00 0.00 0.00 53.44 54.38 2dk3 n ALA 68 Cb 0.00 -0.34 0.25 0.00 0.00 0.00 0.00 19.45 19.36 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 -5.26 2.83 -2.23 0.00 1.02 -1.26 -4.94 120.64 110.80 2dk3 n GLU 69 Ca 0.08 -2.82 -0.06 0.00 -0.02 0.00 0.00 57.16 54.34 2dk3 n GLU 69 Cb 0.33 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 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 -0.55 0.20 2.87 0.62 0.00 0.93 -5.04 105.19 104.23 2dk3 n GLY 70 Ca 0.21 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.48 1.25 -0.55 1.61 -0.14 -1.26 -4.91 119.74 111.27 2dk3 s LYS 71 Ca 0.03 -0.15 -0.18 0.00 -1.36 0.00 0.00 55.97 54.30 2dk3 s LYS 71 Cb -0.01 -1.38 0.09 0.00 -1.68 0.00 0.00 37.83 34.84 2dk3 s LYS 71 CO 0.04 -0.26 0.63 -0.06 -0.76 0.00 0.00 175.35 174.93 2dk3 s PHE 72 N 1.71 3.06 -0.13 3.18 0.08 -1.25 -2.86 117.98 121.78 2dk3 s PHE 72 Ca 0.04 -0.86 0.16 0.00 0.12 0.00 0.00 56.93 56.39 2dk3 s PHE 72 Cb -0.13 -3.76 -0.08 0.00 -0.57 0.00 0.00 43.02 38.49 2dk3 s PHE 72 CO -0.07 -1.13 1.01 -0.44 -0.10 0.00 0.00 175.22 174.49 2dk3 h ASP 73 N 9.05 0.00 -2.46 1.36 5.19 -0.82 -3.21 116.42 125.53 2dk3 h ASP 73 Ca -0.29 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.56 2dk3 h ASP 73 Cb 1.09 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.51 2dk3 h ASP 73 CO 1.03 0.55 -0.63 -0.76 -3.12 0.00 0.00 179.24 176.32 2dk3 s LEU 74 N -5.98 3.37 0.20 1.55 1.43 -1.26 0.21 118.68 118.20 2dk3 s LEU 74 Ca -0.01 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.42 2dk3 s LEU 74 Cb 0.08 -1.95 0.04 0.00 0.03 0.00 0.00 46.19 44.40 2dk3 s LEU 74 CO 0.79 0.03 0.60 -1.59 0.23 0.00 0.00 176.35 176.41 2dk3 s LYS 75 N -3.42 1.43 0.55 1.70 -2.85 -0.70 -4.68 119.74 111.77 2dk3 s LYS 75 Ca 0.30 -0.72 -0.21 0.00 -1.00 0.00 0.00 55.97 54.34 2dk3 s LYS 75 Cb -0.08 0.57 -0.05 0.00 -2.06 0.00 0.00 37.83 36.21 2dk3 s LYS 75 CO 0.20 -0.63 1.26 1.28 0.10 0.00 0.00 175.35 177.57 2dk3 n LEU 76 N -0.38 5.05 -4.81 2.77 4.77 -1.26 0.15 117.00 123.28 2dk3 n LEU 76 Ca -0.12 0.94 -0.32 0.00 -0.03 0.00 0.00 56.01 56.49 2dk3 n LEU 76 Cb 0.63 -1.53 0.02 0.00 -2.33 0.00 0.00 43.42 40.21 2dk3 n LEU 76 CO 0.14 -0.89 0.71 0.00 -1.33 0.00 0.00 177.39 176.03 2dk3 s ALA 77 N -1.33 2.72 -1.15 -1.18 0.00 -1.11 -4.39 121.76 115.32 2dk3 s ALA 77 Ca 0.73 0.28 -0.23 0.00 0.00 0.00 0.00 51.96 52.74 2dk3 s ALA 77 Cb -0.43 -3.21 -0.08 0.00 0.00 0.00 0.00 23.12 19.40 2dk3 s ALA 77 CO 0.49 -0.95 1.94 -1.25 0.00 0.00 0.00 175.76 175.98 2dk3 s PRO 78 N -4.42 2.50 0.00 0.00 0.04 -1.26 -2.09 135.00 129.77 2dk3 s PRO 78 Ca 0.61 -1.06 0.00 0.00 0.04 0.00 0.00 61.00 60.60 2dk3 s PRO 78 Cb -0.15 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.17 2dk3 s PRO 78 CO 0.43 -3.91 0.00 0.41 0.04 0.00 0.00 177.00 173.97 2dk3 n GLY 79 N 5.94 0.73 3.50 0.56 0.00 -1.26 -5.13 105.19 109.53 2dk3 n GLY 79 Ca 0.44 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.16 3.07 -0.02 1.61 6.14 -0.89 -5.02 117.35 121.07 2dk3 s TYR 80 Ca 0.00 -0.29 -0.02 0.00 0.64 0.00 0.00 57.07 57.40 2dk3 s TYR 80 Cb 0.00 -2.02 -0.01 0.00 0.42 0.00 0.00 41.96 40.35 2dk3 s TYR 80 CO 0.00 -0.07 -0.03 -1.13 0.64 0.00 0.00 175.55 174.95 2dk3 n SER 81 N 3.78 0.26 0.00 4.32 3.41 -1.26 -4.74 113.62 119.38 2dk3 n SER 81 Ca -0.17 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2dk3 n SER 81 Cb 0.52 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 2dk3 n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dk3 n GLY 82 N 1.67 -1.88 0.00 5.00 0.00 -1.26 -4.93 105.19 103.79 2dk3 n GLY 82 Ca -0.01 -1.23 0.06 0.00 0.00 0.00 0.00 46.02 44.84 2dk3 n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dk3 n PRO 83 N -0.32 0.49 -3.27 1.61 -0.04 -1.26 -4.84 135.00 127.36 2dk3 n PRO 83 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 2dk3 n PRO 83 Cb 0.00 -1.36 0.08 0.00 -0.04 0.00 0.00 33.50 32.18 2dk3 n PRO 83 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dk3 n SER 84 N -0.86 -2.45 -4.75 3.54 7.64 -1.26 -5.03 113.62 110.45 2dk3 n SER 84 Ca 0.08 -0.57 -0.24 0.00 1.01 0.00 0.00 58.87 59.16 2dk3 n SER 84 Cb 0.04 -4.69 -0.07 0.00 -1.01 0.00 0.00 64.21 58.48 2dk3 n SER 84 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dk3 s SER 85 N -4.14 4.53 0.00 6.43 1.04 -1.26 -5.30 113.70 115.00 2dk3 s SER 85 Ca 0.04 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.48 2dk3 s SER 85 Cb -0.01 -0.53 0.00 0.00 0.10 0.00 0.00 66.02 65.59 2dk3 s SER 85 CO 0.66 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.98