#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 5.33 0.19 1.61 1.04 -1.26 -5.02 113.70 115.59 2dk3 s SER 2 Ca 0.00 -0.59 -0.15 0.00 0.48 0.00 0.00 55.95 55.69 2dk3 s SER 2 Cb 0.00 -0.64 0.18 0.00 0.10 0.00 0.00 66.02 65.66 2dk3 s SER 2 CO 0.00 -0.68 1.65 0.77 0.98 0.00 0.00 173.24 175.96 2dk3 h SER 3 N 0.87 -0.45 -0.03 7.02 4.64 -2.08 -3.47 113.55 120.05 2dk3 h SER 3 Ca -0.41 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2dk3 h SER 3 Cb 1.27 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 2dk3 h SER 3 CO 0.52 -0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 2dk3 n GLY 4 N -1.37 0.11 3.06 -0.77 0.00 -1.26 -5.14 105.19 99.82 2dk3 n GLY 4 Ca 0.05 -0.70 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.00 0.92 -0.21 1.61 0.15 -1.26 -5.14 113.70 109.76 2dk3 s SER 5 Ca 0.00 -0.50 -0.12 0.00 0.70 0.00 0.00 55.95 56.03 2dk3 s SER 5 Cb 0.00 0.01 -0.05 0.00 -1.71 0.00 0.00 66.02 64.28 2dk3 s SER 5 CO 0.00 -0.16 0.23 -0.55 1.20 0.00 0.00 173.24 173.97 2dk3 s SER 6 N -1.41 6.27 0.20 5.45 0.15 -1.26 -5.07 113.70 118.03 2dk3 s SER 6 Ca -0.08 0.31 -0.07 0.00 0.70 0.00 0.00 55.95 56.81 2dk3 s SER 6 Cb -0.09 -2.15 -0.02 0.00 -1.71 0.00 0.00 66.02 62.05 2dk3 s SER 6 CO 0.01 0.06 0.29 -0.83 1.20 0.00 0.00 173.24 173.97 2dk3 s GLY 7 N 0.80 0.83 0.00 9.45 0.00 -1.26 -5.05 107.32 112.09 2dk3 s GLY 7 Ca 0.12 -1.17 0.10 0.00 0.00 0.00 0.00 44.72 43.77 2dk3 s GLY 7 CO 0.04 -0.97 0.49 1.55 0.00 0.00 0.00 173.10 174.20 2dk3 n VAL 8 N -0.28 0.00 -0.06 1.40 3.14 -1.26 -4.53 118.33 116.73 2dk3 n VAL 8 Ca -0.02 -0.29 -0.03 0.00 -2.96 0.00 0.00 64.34 61.04 2dk3 n VAL 8 Cb 0.64 1.03 -0.13 0.00 -1.06 0.00 0.00 33.84 34.32 2dk3 n VAL 8 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2dk3 n ARG 9 N -1.00 1.12 -1.40 1.45 1.85 -1.26 -4.50 116.66 112.92 2dk3 n ARG 9 Ca 0.03 -0.05 -0.30 0.00 -1.00 0.00 0.00 57.85 56.52 2dk3 n ARG 9 Cb 0.17 -1.41 0.03 0.00 -1.05 0.00 0.00 32.46 30.20 2dk3 n ARG 9 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2dk3 n SER 10 N -2.45 7.13 0.02 2.89 3.41 -1.26 -4.57 113.62 118.78 2dk3 n SER 10 Ca -0.19 -3.51 -0.08 0.00 -0.26 0.00 0.00 58.87 54.83 2dk3 n SER 10 Cb 0.86 -1.07 -0.06 0.00 -0.26 0.00 0.00 64.21 63.68 2dk3 n SER 10 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 2dk3 h GLN 11 N 2.33 -0.16 -0.44 4.33 3.07 -1.83 -3.32 115.11 119.09 2dk3 h GLN 11 Ca 0.48 0.01 0.02 0.00 0.09 0.00 0.00 58.65 59.25 2dk3 h GLN 11 Cb 0.63 0.04 -0.02 0.00 0.08 0.00 0.00 27.48 28.20 2dk3 h GLN 11 CO 1.21 0.20 0.29 -0.24 0.09 0.00 0.00 178.83 180.39 2dk3 h VAL 12 N -0.97 1.08 -0.16 1.86 3.04 -1.95 -0.99 116.25 118.16 2dk3 h VAL 12 Ca -0.02 -0.19 0.05 0.00 -1.01 0.00 0.00 66.70 65.53 2dk3 h VAL 12 Cb 0.43 0.48 -0.01 0.00 -2.01 0.00 0.00 31.29 30.19 2dk3 h VAL 12 CO 0.03 0.10 0.25 -0.07 -1.01 0.00 0.00 177.57 176.87 2dk3 h LEU 13 N 0.55 0.00 -0.59 3.16 3.38 -1.88 0.48 115.31 120.40 2dk3 h LEU 13 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2dk3 h LEU 13 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2dk3 h LEU 13 CO -0.04 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.60 2dk3 h LYS 14 N 0.00 0.00 0.00 1.13 1.57 -1.27 -3.09 116.57 114.91 2dk3 h LYS 14 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2dk3 h LYS 14 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2dk3 h LYS 14 CO -0.00 0.00 -0.89 0.66 -0.57 0.00 0.00 179.45 178.65 2dk3 n TYR 15 N -3.07 0.00 -1.61 -1.35 4.02 0.15 -4.80 117.16 110.50 2dk3 n TYR 15 Ca 0.03 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.59 2dk3 n TYR 15 Cb 0.44 -0.04 -0.07 0.00 -0.02 0.00 0.00 39.34 39.64 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 -1.47 1.24 -4.36 -0.72 2.81 -0.38 -4.86 117.12 109.39 2dk3 n MET 16 Ca 0.02 -2.07 -0.26 0.00 -1.81 0.00 0.00 57.70 53.58 2dk3 n MET 16 Cb 0.28 -3.42 -0.10 0.00 -0.71 0.00 0.00 33.22 29.27 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 9.79 2.77 -0.69 2.03 -7.23 -1.26 -3.75 120.40 122.06 2dk3 s VAL 17 Ca 0.67 -1.89 -0.26 0.00 -1.81 0.00 0.00 61.98 58.69 2dk3 s VAL 17 Cb 0.05 -2.36 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 2dk3 s VAL 17 CO 0.16 -0.14 1.89 -2.16 -0.31 0.00 0.00 175.10 174.53 2dk3 s PRO 18 N -2.83 2.60 0.00 4.82 0.04 -1.25 -2.40 135.00 135.98 2dk3 s PRO 18 Ca 0.24 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2dk3 s PRO 18 Cb -0.08 -4.56 0.00 0.00 0.04 0.00 0.00 34.50 29.90 2dk3 s PRO 18 CO 0.13 -2.90 0.00 0.41 0.04 0.00 0.00 177.00 174.67 2dk3 n GLY 19 N 6.00 -0.00 4.00 0.56 0.00 0.26 -4.83 105.19 111.18 2dk3 n GLY 19 Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.70 4.09 -0.07 4.61 0.00 -1.01 -4.88 121.76 123.81 2dk3 s ALA 20 Ca 0.00 -1.79 -0.10 0.00 0.00 0.00 0.00 51.96 50.07 2dk3 s ALA 20 Cb 0.00 -1.83 -0.05 0.00 0.00 0.00 0.00 23.12 21.24 2dk3 s ALA 20 CO 0.00 -1.09 0.25 1.03 0.00 0.00 0.00 175.76 175.95 2dk3 s ARG 21 N -4.89 3.64 0.09 0.00 1.81 -1.26 -1.60 118.95 116.73 2dk3 s ARG 21 Ca 0.63 0.09 -0.14 0.00 -1.72 0.00 0.00 55.73 54.59 2dk3 s ARG 21 Cb -0.06 -3.20 0.03 0.00 -0.45 0.00 0.00 34.95 31.26 2dk3 s ARG 21 CO 0.41 0.74 0.34 0.14 -0.68 0.00 0.00 175.30 176.25 2dk3 s VAL 22 N -1.05 0.08 0.32 3.52 -7.23 -1.07 -3.51 120.40 111.46 2dk3 s VAL 22 Ca 0.19 -0.69 0.05 0.00 -1.81 0.00 0.00 61.98 59.72 2dk3 s VAL 22 Cb -0.14 -1.12 -0.03 0.00 0.56 0.00 0.00 36.38 35.65 2dk3 s VAL 22 CO 0.08 -0.38 0.28 0.27 -0.31 0.00 0.00 175.10 175.04 2dk3 s ILE 23 N -3.35 0.00 0.52 -0.62 -4.36 0.28 -0.66 121.20 113.02 2dk3 s ILE 23 Ca 0.00 -1.96 -0.22 0.00 -0.26 0.00 0.00 60.65 58.22 2dk3 s ILE 23 Cb 0.01 -2.51 -0.07 0.00 1.25 0.00 0.00 42.46 41.14 2dk3 s ILE 23 CO -0.08 0.00 1.09 -2.11 0.24 0.00 0.00 174.94 174.08 2dk3 n ARG 24 N -0.58 1.31 0.00 0.37 1.85 -1.26 -0.78 116.66 117.57 2dk3 n ARG 24 Ca 0.06 0.48 0.00 0.00 -1.00 0.00 0.00 57.85 57.40 2dk3 n ARG 24 Cb 0.63 -2.24 0.00 0.00 -1.05 0.00 0.00 32.46 29.79 2dk3 n ARG 24 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2dk3 n GLY 25 N 1.09 3.14 0.13 2.89 0.00 0.32 -4.42 105.19 108.35 2dk3 n GLY 25 Ca 0.11 -1.78 -0.22 0.00 0.00 0.00 0.00 46.02 44.13 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 2.45 -1.69 0.99 4.32 -1.19 -4.20 117.00 117.69 2dk3 n LEU 26 Ca 0.00 0.23 -0.11 0.00 -0.02 0.00 0.00 56.01 56.11 2dk3 n LEU 26 Cb 0.00 -1.05 0.04 0.00 -1.62 0.00 0.00 43.42 40.79 2dk3 n LEU 26 CO 0.00 0.71 1.05 0.47 -1.22 0.00 0.00 177.39 178.41 2dk3 n ASP 27 N -3.73 5.38 -4.55 -1.43 8.00 -0.86 -4.88 116.55 114.48 2dk3 n ASP 27 Ca -0.34 -2.80 -0.36 0.00 0.71 0.00 0.00 54.79 52.00 2dk3 n ASP 27 Cb 0.95 -0.95 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 2dk3 n ASP 27 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2dk3 s TRP 28 N -1.27 1.77 -0.10 1.24 -0.11 -1.26 -4.52 118.94 114.69 2dk3 s TRP 28 Ca 0.22 0.63 0.20 0.00 1.22 0.00 0.00 56.10 58.37 2dk3 s TRP 28 Cb 0.17 -4.15 -0.29 0.00 -1.50 0.00 0.00 33.47 27.71 2dk3 s TRP 28 CO 0.01 -2.17 0.38 0.36 -4.62 0.00 0.00 176.95 170.91 2dk3 n LYS 29 N 9.13 0.67 -2.35 5.86 -0.00 -1.26 -4.84 118.16 125.37 2dk3 n LYS 29 Ca 0.23 -0.10 -0.41 0.00 -0.00 0.00 0.00 58.31 58.03 2dk3 n LYS 29 Cb 0.51 -1.55 -0.03 0.00 -0.00 0.00 0.00 35.03 33.96 2dk3 n LYS 29 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 2dk3 s TRP 30 N -3.14 2.13 0.99 5.58 0.52 -1.26 -4.99 118.94 118.77 2dk3 s TRP 30 Ca -0.08 0.40 -0.19 0.00 0.02 0.00 0.00 56.10 56.25 2dk3 s TRP 30 Cb 0.11 -4.39 0.01 0.00 -1.15 0.00 0.00 33.47 28.05 2dk3 s TRP 30 CO 0.87 -2.10 -0.44 0.54 0.02 0.00 0.00 176.95 175.84 2dk3 n ARG 31 N 8.98 -1.08 -1.13 4.98 1.74 -1.26 -4.27 116.66 124.61 2dk3 n ARG 31 Ca 0.12 -0.31 -0.22 0.00 -0.77 0.00 0.00 57.85 56.67 2dk3 n ARG 31 Cb 0.50 -1.34 -0.15 0.00 -1.02 0.00 0.00 32.46 30.45 2dk3 n ARG 31 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2dk3 n ASP 32 N 0.61 -0.62 -0.05 0.55 5.68 -1.26 -4.69 116.55 116.77 2dk3 n ASP 32 Ca 0.01 -0.21 -0.21 0.00 -0.50 0.00 0.00 54.79 53.87 2dk3 n ASP 32 Cb 0.54 -0.51 -0.13 0.00 -1.14 0.00 0.00 41.12 39.88 2dk3 n ASP 32 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2dk3 n GLN 33 N 4.99 0.69 -0.98 0.11 1.13 -1.26 -4.28 117.38 117.79 2dk3 n GLN 33 Ca 0.51 0.29 -0.18 0.00 -1.94 0.00 0.00 57.00 55.68 2dk3 n GLN 33 Cb 0.08 -1.66 0.03 0.00 0.11 0.00 0.00 30.24 28.79 2dk3 n GLN 33 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2dk3 n ASP 34 N -3.66 6.49 -0.47 1.08 2.03 -1.26 -4.82 116.55 115.93 2dk3 n ASP 34 Ca -0.37 -3.09 0.06 0.00 0.52 0.00 0.00 54.79 51.92 2dk3 n ASP 34 Cb 0.96 -1.08 -0.02 0.00 -0.72 0.00 0.00 41.12 40.26 2dk3 n ASP 34 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dk3 n GLY 35 N 0.41 -2.13 3.05 0.27 0.00 -1.26 -4.45 105.19 101.08 2dk3 n GLY 35 Ca 0.33 -1.41 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 2dk3 n GLY 35 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dk3 s SER 36 N -3.71 0.87 1.04 1.61 0.15 -1.26 -4.12 113.70 108.27 2dk3 s SER 36 Ca 0.00 -0.49 -0.13 0.00 0.70 0.00 0.00 55.95 56.03 2dk3 s SER 36 Cb 0.00 0.02 0.21 0.00 -1.71 0.00 0.00 66.02 64.53 2dk3 s SER 36 CO 0.00 -0.16 1.10 -2.16 1.20 0.00 0.00 173.24 173.22 2dk3 s PRO 37 N -1.38 0.12 0.32 5.44 0.04 -1.26 -5.07 135.00 133.21 2dk3 s PRO 37 Ca -0.08 0.41 -0.24 0.00 0.04 0.00 0.00 61.00 61.13 2dk3 s PRO 37 Cb -0.09 -1.71 -0.16 0.00 0.04 0.00 0.00 34.50 32.58 2dk3 s PRO 37 CO 0.00 -2.91 0.38 0.00 0.04 0.00 0.00 177.00 174.51 2dk3 n GLN 38 N -4.29 0.16 -2.23 4.56 10.64 -1.26 -4.98 117.38 119.99 2dk3 n GLN 38 Ca 0.06 0.06 -0.02 0.00 -1.83 0.00 0.00 57.00 55.27 2dk3 n GLN 38 Cb 0.58 -1.12 -0.01 0.00 -0.86 0.00 0.00 30.24 28.83 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 2.06 3.90 3.93 2.61 0.00 -1.26 -5.11 105.19 111.32 2dk3 n GLY 39 Ca 0.14 -1.68 -0.26 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.14 3.51 0.14 1.61 8.01 -1.26 -4.70 118.70 123.87 2dk3 s GLU 40 Ca 0.04 -0.37 0.01 0.00 0.01 0.00 0.00 54.97 54.66 2dk3 s GLU 40 Cb 0.00 -2.79 -0.00 0.00 -4.31 0.00 0.00 34.13 27.03 2dk3 s GLU 40 CO 0.03 0.33 0.03 0.41 0.01 0.00 0.00 175.26 176.07 2dk3 n GLY 41 N -1.04 3.91 2.90 -1.39 0.00 0.17 -4.42 105.19 105.33 2dk3 n GLY 41 Ca -0.05 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.82 -0.53 0.34 2.61 2.01 -1.25 -2.59 115.64 114.41 2dk3 s THR 42 Ca 0.04 -0.05 -0.27 0.00 0.31 0.00 0.00 61.69 61.72 2dk3 s THR 42 Cb 0.00 -0.75 -0.13 0.00 0.01 0.00 0.00 72.50 71.63 2dk3 s THR 42 CO 0.03 -0.12 1.03 0.52 -0.69 0.00 0.00 174.62 175.39 2dk3 n VAL 43 N 5.35 2.11 -0.02 3.82 0.31 -0.63 -1.17 118.33 128.11 2dk3 n VAL 43 Ca -0.05 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 2dk3 n VAL 43 Cb 0.50 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.32 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 -0.01 0.00 -4.23 2.52 5.66 0.02 0.91 114.28 119.14 2dk3 n THR 44 Ca 0.09 -0.31 -0.17 0.00 -3.05 0.00 0.00 64.05 60.61 2dk3 n THR 44 Cb 0.35 1.02 -0.11 0.00 -1.55 0.00 0.00 70.33 70.04 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 -0.59 1.05 -0.05 1.09 0.00 -0.48 -4.65 107.32 103.69 2dk3 s GLY 45 Ca 0.00 -1.31 -0.25 0.00 0.00 0.00 0.00 44.72 43.16 2dk3 s GLY 45 CO 0.00 -1.38 0.76 -0.54 0.00 0.00 0.00 173.10 171.94 2dk3 s GLU 46 N -2.84 4.46 -0.60 2.90 2.02 -1.26 -3.86 118.70 119.53 2dk3 s GLU 46 Ca 0.10 1.00 -0.30 0.00 0.02 0.00 0.00 54.97 55.79 2dk3 s GLU 46 Cb -0.04 -3.45 -0.12 0.00 0.10 0.00 0.00 34.13 30.63 2dk3 s GLU 46 CO 0.02 0.05 2.44 -0.11 0.02 0.00 0.00 175.26 177.69 2dk3 n LEU 47 N 3.75 1.72 -4.45 1.80 7.94 -1.25 -4.61 117.00 121.90 2dk3 n LEU 47 Ca 0.00 -0.08 -0.34 0.00 -1.11 0.00 0.00 56.01 54.48 2dk3 n LEU 47 Cb 0.51 -1.32 -0.13 0.00 0.53 0.00 0.00 43.42 43.02 2dk3 n LEU 47 CO 0.48 -1.11 -0.37 -1.38 -1.11 0.00 0.00 177.39 173.90 2dk3 s HIS 48 N 10.06 2.98 -1.02 1.96 -3.43 0.76 -4.54 115.29 122.06 2dk3 s HIS 48 Ca 1.12 -0.45 0.00 0.00 -0.80 0.00 0.00 55.06 54.93 2dk3 s HIS 48 Cb -0.65 -1.97 0.00 0.00 -1.43 0.00 0.00 32.58 28.53 2dk3 s HIS 48 CO 0.38 -0.15 0.00 0.09 -2.00 0.00 0.00 174.74 173.06 2dk3 n ASN 49 N 3.78 -3.77 -0.14 7.38 3.02 -1.26 -0.38 115.26 123.88 2dk3 n ASN 49 Ca -0.18 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 2dk3 n ASN 49 Cb 0.52 -3.22 0.00 0.00 -0.61 0.00 0.00 39.78 36.47 2dk3 n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dk3 n GLY 50 N -0.77 0.69 2.89 7.41 0.00 -1.26 -4.31 105.19 109.84 2dk3 n GLY 50 Ca -0.14 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.29 -0.41 0.00 1.61 0.52 0.48 -2.36 118.94 116.51 2dk3 s TRP 51 Ca 0.00 0.65 0.08 0.00 0.02 0.00 0.00 56.10 56.85 2dk3 s TRP 51 Cb 0.00 -0.17 -0.02 0.00 -1.15 0.00 0.00 33.47 32.13 2dk3 s TRP 51 CO 0.00 -0.50 -0.26 -1.50 0.02 0.00 0.00 176.95 174.71 2dk3 s ILE 52 N 2.40 2.10 0.19 2.03 -1.16 -1.21 -0.17 121.20 125.37 2dk3 s ILE 52 Ca 0.05 -1.21 -0.02 0.00 -0.51 0.00 0.00 60.65 58.96 2dk3 s ILE 52 Cb -0.14 -1.76 -0.05 0.00 0.61 0.00 0.00 42.46 41.13 2dk3 s ILE 52 CO -0.11 0.50 0.40 -1.81 -2.81 0.00 0.00 174.94 171.12 2dk3 s ASP 53 N -0.84 6.42 -0.09 4.50 1.11 -1.25 -1.72 116.67 124.79 2dk3 s ASP 53 Ca 0.11 0.49 -0.05 0.00 0.18 0.00 0.00 52.55 53.28 2dk3 s ASP 53 Cb -0.10 -2.05 0.04 0.00 1.07 0.00 0.00 42.92 41.88 2dk3 s ASP 53 CO 0.00 -0.03 0.22 0.54 1.18 0.00 0.00 175.17 177.08 2dk3 s VAL 54 N -1.82 -0.04 -0.71 -1.27 0.11 -0.89 -0.80 120.40 114.98 2dk3 s VAL 54 Ca 0.40 0.14 -0.16 0.00 -2.93 0.00 0.00 61.98 59.42 2dk3 s VAL 54 Cb -0.11 -0.34 0.16 0.00 -1.53 0.00 0.00 36.38 34.55 2dk3 s VAL 54 CO 0.28 0.06 0.73 -0.89 -3.33 0.00 0.00 175.10 171.94 2dk3 s THR 55 N 1.11 5.20 0.90 5.04 2.01 -0.32 -2.92 115.64 126.67 2dk3 s THR 55 Ca -0.08 -1.75 -0.11 0.00 0.31 0.00 0.00 61.69 60.07 2dk3 s THR 55 Cb -0.10 -4.48 0.14 0.00 0.01 0.00 0.00 72.50 68.07 2dk3 s THR 55 CO -0.07 -1.07 1.11 0.26 -0.69 0.00 0.00 174.62 174.16 2dk3 s TRP 56 N 1.47 1.94 -0.01 4.92 0.52 -1.26 -3.91 118.94 122.61 2dk3 s TRP 56 Ca 0.14 1.58 -0.25 0.00 0.02 0.00 0.00 56.10 57.60 2dk3 s TRP 56 Cb -0.18 -3.21 -0.19 0.00 -1.15 0.00 0.00 33.47 28.74 2dk3 s TRP 56 CO -0.02 -2.61 1.25 0.22 0.02 0.00 0.00 176.95 175.81 2dk3 h ASP 57 N -1.72 -0.09 -0.98 2.95 1.82 -1.90 -3.18 116.42 113.32 2dk3 h ASP 57 Ca -0.46 -0.38 0.34 0.00 -0.39 0.00 0.00 57.03 56.13 2dk3 h ASP 57 Cb 1.27 0.02 -0.18 0.00 0.68 0.00 0.00 39.33 41.13 2dk3 h ASP 57 CO 0.47 0.35 0.31 0.00 -1.61 0.00 0.00 179.24 178.76 2dk3 h ALA 58 N 0.32 1.67 0.00 -0.78 0.00 -1.92 -3.45 119.26 115.09 2dk3 h ALA 58 Ca -0.01 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2dk3 h ALA 58 Cb 0.46 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2dk3 h ALA 58 CO 0.02 -0.73 0.00 0.41 0.00 0.00 0.00 179.25 178.95 2dk3 n GLY 59 N -1.37 2.34 0.00 0.00 0.00 -1.20 -4.99 105.19 99.97 2dk3 n GLY 59 Ca 0.30 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 0.57 3.83 -0.02 0.00 -1.26 -5.01 105.19 103.31 2dk3 n GLY 60 Ca 0.00 0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.98 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 6.89 0.23 1.61 1.04 -1.26 -4.11 113.70 118.10 2dk3 s SER 61 Ca 0.00 1.11 -0.21 0.00 0.48 0.00 0.00 55.95 57.33 2dk3 s SER 61 Cb 0.00 -2.30 0.04 0.00 0.10 0.00 0.00 66.02 63.86 2dk3 s SER 61 CO 0.00 0.19 0.65 0.21 0.98 0.00 0.00 173.24 175.27 2dk3 s ASN 62 N -1.44 -0.35 -0.06 7.02 3.84 -1.15 -4.94 114.94 117.86 2dk3 s ASN 62 Ca 0.33 -0.42 -0.15 0.00 0.21 0.00 0.00 52.86 52.84 2dk3 s ASN 62 Cb -0.17 0.67 -0.05 0.00 -0.55 0.00 0.00 41.25 41.15 2dk3 s ASN 62 CO 0.18 -1.19 0.38 -0.94 -2.79 0.00 0.00 177.10 172.74 2dk3 s SER 63 N -2.86 6.68 0.12 -4.21 1.04 -1.26 -2.09 113.70 111.12 2dk3 s SER 63 Ca 0.08 0.81 0.10 0.00 0.48 0.00 0.00 55.95 57.42 2dk3 s SER 63 Cb -0.04 -2.23 -0.04 0.00 0.10 0.00 0.00 66.02 63.81 2dk3 s SER 63 CO -0.00 0.22 -0.25 -0.31 0.98 0.00 0.00 173.24 173.88 2dk3 s TYR 64 N -0.43 2.36 -0.16 5.02 1.51 -0.70 -4.95 117.35 120.00 2dk3 s TYR 64 Ca 0.22 -0.35 -0.29 0.00 -1.01 0.00 0.00 57.07 55.64 2dk3 s TYR 64 Cb -0.15 -1.28 -0.04 0.00 -0.11 0.00 0.00 41.96 40.37 2dk3 s TYR 64 CO 0.10 0.34 1.77 1.03 -1.11 0.00 0.00 175.55 177.68 2dk3 s ARG 65 N -2.03 3.79 -0.16 -0.62 0.52 -1.26 -3.34 118.95 115.84 2dk3 s ARG 65 Ca 0.15 1.92 0.14 0.00 -0.52 0.00 0.00 55.73 57.42 2dk3 s ARG 65 Cb -0.10 -4.10 0.42 0.00 0.52 0.00 0.00 34.95 31.69 2dk3 s ARG 65 CO 0.07 -1.32 1.21 -1.33 0.02 0.00 0.00 175.30 173.95 2dk3 n MET 66 N 7.75 1.28 0.00 3.54 2.81 -1.02 -0.18 117.12 131.31 2dk3 n MET 66 Ca 0.20 -3.04 0.00 0.00 -1.81 0.00 0.00 57.70 53.06 2dk3 n MET 66 Cb 0.44 -1.27 0.00 0.00 -0.71 0.00 0.00 33.22 31.68 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 -0.74 1.16 0.29 3.03 0.00 -1.06 -4.83 105.19 103.04 2dk3 n GLY 67 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 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 0.32 -1.08 4.61 0.00 -0.99 -0.00 120.51 123.36 2dk3 n ALA 68 Ca 0.00 0.90 0.09 0.00 0.00 0.00 0.00 53.44 54.43 2dk3 n ALA 68 Cb 0.00 -0.60 0.13 0.00 0.00 0.00 0.00 19.45 18.97 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 -5.27 1.27 -1.58 0.00 1.02 -1.26 -4.95 120.64 109.87 2dk3 n GLU 69 Ca 0.17 -2.45 -0.01 0.00 -0.02 0.00 0.00 57.16 54.85 2dk3 n GLU 69 Cb 0.53 -1.42 -0.00 0.00 -0.02 0.00 0.00 31.44 30.53 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 -1.32 0.39 3.06 0.62 0.00 1.00 -5.04 105.19 103.89 2dk3 n GLY 70 Ca 0.14 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.19 2.20 -0.41 1.61 -0.14 -1.26 -4.90 119.74 113.65 2dk3 s LYS 71 Ca 0.00 -0.56 -0.15 0.00 -1.36 0.00 0.00 55.97 53.91 2dk3 s LYS 71 Cb 0.00 -1.85 0.02 0.00 -1.68 0.00 0.00 37.83 34.32 2dk3 s LYS 71 CO 0.00 -0.04 0.29 -0.06 -0.76 0.00 0.00 175.35 174.78 2dk3 s PHE 72 N 0.92 3.24 -0.07 3.18 0.08 -1.25 -2.57 117.98 121.51 2dk3 s PHE 72 Ca -0.08 -0.63 0.14 0.00 0.12 0.00 0.00 56.93 56.48 2dk3 s PHE 72 Cb -0.15 -2.58 -0.23 0.00 -0.57 0.00 0.00 43.02 39.48 2dk3 s PHE 72 CO -0.00 -0.60 0.56 -0.25 -0.10 0.00 0.00 175.22 174.83 2dk3 n ASP 73 N 5.15 0.72 -4.78 1.36 9.92 0.74 -2.03 116.55 127.64 2dk3 n ASP 73 Ca -0.11 0.34 -0.22 0.00 -0.53 0.00 0.00 54.79 54.27 2dk3 n ASP 73 Cb 0.47 0.12 -0.05 0.00 -0.64 0.00 0.00 41.12 41.02 2dk3 n ASP 73 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2dk3 s LEU 74 N -5.99 3.53 0.38 0.64 1.43 -1.26 0.12 118.68 117.53 2dk3 s LEU 74 Ca -0.06 -0.50 -0.11 0.00 -1.03 0.00 0.00 54.13 52.44 2dk3 s LEU 74 Cb 0.08 -2.06 0.04 0.00 0.03 0.00 0.00 46.19 44.27 2dk3 s LEU 74 CO 0.83 -0.16 0.68 -1.59 0.23 0.00 0.00 176.35 176.34 2dk3 s LYS 75 N -3.85 2.15 0.28 1.70 -2.85 0.04 -4.59 119.74 112.63 2dk3 s LYS 75 Ca 0.36 -1.58 -0.29 0.00 -1.00 0.00 0.00 55.97 53.45 2dk3 s LYS 75 Cb -0.06 0.56 -0.09 0.00 -2.06 0.00 0.00 37.83 36.18 2dk3 s LYS 75 CO 0.24 -0.97 1.04 -0.51 0.10 0.00 0.00 175.35 175.25 2dk3 s LEU 76 N -3.14 4.55 0.80 2.77 1.43 -1.26 -0.55 118.68 123.27 2dk3 s LEU 76 Ca 0.21 2.14 -0.13 0.00 -1.03 0.00 0.00 54.13 55.33 2dk3 s LEU 76 Cb -0.03 -3.67 0.08 0.00 0.03 0.00 0.00 46.19 42.59 2dk3 s LEU 76 CO 0.15 -0.07 1.16 0.00 0.23 0.00 0.00 176.35 177.82 2dk3 s ALA 77 N -1.22 1.94 -1.18 4.21 0.00 -1.23 -4.48 121.76 119.79 2dk3 s ALA 77 Ca 0.45 0.66 -0.23 0.00 0.00 0.00 0.00 51.96 52.84 2dk3 s ALA 77 Cb -0.29 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.32 2dk3 s ALA 77 CO 0.37 -2.13 1.93 -1.25 0.00 0.00 0.00 175.76 174.68 2dk3 s PRO 78 N -4.34 2.50 0.00 0.00 0.04 -1.26 -1.99 135.00 129.96 2dk3 s PRO 78 Ca 0.69 -1.17 0.00 0.00 0.04 0.00 0.00 61.00 60.56 2dk3 s PRO 78 Cb -0.24 -5.24 0.00 0.00 0.04 0.00 0.00 34.50 29.05 2dk3 s PRO 78 CO 0.51 -3.97 0.00 0.41 0.04 0.00 0.00 177.00 173.99 2dk3 n GLY 79 N 5.81 0.32 3.53 0.56 0.00 -1.26 -5.11 105.19 109.04 2dk3 n GLY 79 Ca 0.45 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.37 3.04 -0.17 1.61 6.14 -0.84 -4.92 117.35 121.85 2dk3 s TYR 80 Ca 0.00 0.04 -0.15 0.00 0.64 0.00 0.00 57.07 57.60 2dk3 s TYR 80 Cb 0.00 -3.45 -0.11 0.00 0.42 0.00 0.00 41.96 38.83 2dk3 s TYR 80 CO 0.00 -0.90 0.02 0.66 0.64 0.00 0.00 175.55 175.97 2dk3 h SER 81 N 8.89 0.00 0.00 4.32 4.64 -1.99 -3.43 113.55 125.99 2dk3 h SER 81 Ca -0.25 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2dk3 h SER 81 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 2dk3 h SER 81 CO 0.91 1.09 0.00 0.61 -0.87 0.00 0.00 176.83 178.57 2dk3 n GLY 82 N 1.54 1.13 3.71 -0.77 0.00 -1.26 -5.09 105.19 104.45 2dk3 n GLY 82 Ca -0.18 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.00 4.33 -0.11 1.61 0.04 -1.26 -5.03 135.00 132.58 2dk3 s PRO 83 Ca 0.00 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.10 2dk3 s PRO 83 Cb 0.00 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 2dk3 s PRO 83 CO 0.00 -0.44 -0.19 0.45 0.04 0.00 0.00 177.00 176.86 2dk3 s SER 84 N 1.20 3.49 -0.08 6.66 0.15 -1.26 -5.01 113.70 118.85 2dk3 s SER 84 Ca 0.64 -0.46 -0.05 0.00 0.70 0.00 0.00 55.95 56.78 2dk3 s SER 84 Cb -0.35 -1.47 -0.04 0.00 -1.71 0.00 0.00 66.02 62.44 2dk3 s SER 84 CO 0.30 0.17 -0.13 -1.20 1.20 0.00 0.00 173.24 173.57 2dk3 n SER 85 N 3.49 0.85 0.00 5.45 7.64 -1.26 -5.32 113.62 124.47 2dk3 n SER 85 Ca -0.19 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2dk3 n SER 85 Cb 0.53 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 2dk3 n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64