#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 -0.11 0.12 1.61 0.01 -1.26 -5.18 113.70 108.89 2dk3 s SER 2 Ca 0.00 -0.15 -0.00 0.00 1.31 0.00 0.00 55.95 57.11 2dk3 s SER 2 Cb 0.00 0.33 -0.04 0.00 0.21 0.00 0.00 66.02 66.52 2dk3 s SER 2 CO 0.00 -0.56 0.01 -0.55 0.41 0.00 0.00 173.24 172.55 2dk3 s SER 3 N -1.87 0.63 -0.41 2.44 0.15 -1.26 -5.10 113.70 108.28 2dk3 s SER 3 Ca -0.07 -1.13 0.09 0.00 0.70 0.00 0.00 55.95 55.53 2dk3 s SER 3 Cb -0.02 0.22 0.33 0.00 -1.71 0.00 0.00 66.02 64.84 2dk3 s SER 3 CO -0.01 -0.64 0.91 0.61 1.20 0.00 0.00 173.24 175.30 2dk3 n GLY 4 N -0.08 2.16 2.70 9.45 0.00 -1.26 -5.12 105.19 113.05 2dk3 n GLY 4 Ca -0.08 -0.87 -0.47 0.00 0.00 0.00 0.00 46.02 44.60 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 0.36 0.28 -3.93 1.61 7.64 -1.26 -4.94 113.62 113.39 2dk3 n SER 5 Ca 0.16 0.88 -0.19 0.00 1.01 0.00 0.00 58.87 60.74 2dk3 n SER 5 Cb 0.68 -0.69 -0.09 0.00 -1.01 0.00 0.00 64.21 63.10 2dk3 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dk3 s SER 6 N 0.72 1.51 -0.50 6.43 0.01 -1.26 -5.11 113.70 115.49 2dk3 s SER 6 Ca 0.72 -1.58 0.07 0.00 1.31 0.00 0.00 55.95 56.48 2dk3 s SER 6 Cb -1.01 0.41 0.26 0.00 0.21 0.00 0.00 66.02 65.89 2dk3 s SER 6 CO 0.49 -0.91 0.65 0.61 0.41 0.00 0.00 173.24 174.50 2dk3 n GLY 7 N -0.58 3.89 3.95 3.44 0.00 -1.26 -5.10 105.19 109.52 2dk3 n GLY 7 Ca 0.02 -2.15 -0.24 0.00 0.00 0.00 0.00 46.02 43.65 2dk3 n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2dk3 n VAL 8 N 1.01 0.00 -0.01 1.61 0.24 -1.26 -5.03 118.33 114.89 2dk3 n VAL 8 Ca 0.26 -1.58 -0.11 0.00 -2.04 0.00 0.00 64.34 60.86 2dk3 n VAL 8 Cb 0.48 -0.90 -0.14 0.00 -1.47 0.00 0.00 33.84 31.81 2dk3 n VAL 8 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 2dk3 h ARG 9 N 0.00 0.07 -2.18 7.34 -0.00 -2.06 -3.37 114.38 114.17 2dk3 h ARG 9 Ca -0.34 -0.12 -0.63 0.00 -0.00 0.00 0.00 59.98 58.90 2dk3 h ARG 9 Cb 1.24 0.04 -0.18 0.00 -0.00 0.00 0.00 29.97 31.07 2dk3 h ARG 9 CO 0.36 0.70 1.07 -1.13 -0.00 0.00 0.00 179.97 180.97 2dk3 n SER 10 N -3.18 7.11 -0.10 0.08 3.41 -1.26 -4.47 113.62 115.21 2dk3 n SER 10 Ca -0.19 -3.32 -0.24 0.00 -0.26 0.00 0.00 58.87 54.86 2dk3 n SER 10 Cb 1.04 -1.24 -0.11 0.00 -0.26 0.00 0.00 64.21 63.64 2dk3 n SER 10 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2dk3 n GLN 11 N 0.81 0.60 -0.22 4.33 7.27 -1.26 -4.26 117.38 124.65 2dk3 n GLN 11 Ca 0.53 0.44 0.19 0.00 0.07 0.00 0.00 57.00 58.24 2dk3 n GLN 11 Cb 0.40 -1.67 0.53 0.00 2.41 0.00 0.00 30.24 31.91 2dk3 n GLN 11 CO 0.00 0.00 0.00 -0.24 0.07 0.00 0.00 177.06 176.89 2dk3 h VAL 12 N -0.83 0.69 -0.15 1.69 3.04 -1.92 0.28 116.25 119.04 2dk3 h VAL 12 Ca -0.46 -0.13 0.04 0.00 -1.01 0.00 0.00 66.70 65.15 2dk3 h VAL 12 Cb 1.50 0.29 -0.01 0.00 -2.01 0.00 0.00 31.29 31.06 2dk3 h VAL 12 CO -0.23 0.07 0.23 -0.07 -1.01 0.00 0.00 177.57 176.57 2dk3 h LEU 13 N 0.37 0.00 -0.98 3.16 3.38 -1.90 0.40 115.31 119.74 2dk3 h LEU 13 Ca 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.42 2dk3 h LEU 13 Cb 1.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2dk3 h LEU 13 CO -0.15 0.00 -0.00 0.11 0.09 0.00 0.00 178.44 178.49 2dk3 h LYS 14 N 0.00 0.00 -0.01 1.13 1.57 -0.66 -2.93 116.57 115.68 2dk3 h LYS 14 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2dk3 h LYS 14 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2dk3 h LYS 14 CO -0.00 0.00 -0.56 0.66 -0.57 0.00 0.00 179.45 178.98 2dk3 n TYR 15 N -3.09 0.00 -1.09 -1.35 4.02 0.13 -4.76 117.16 111.01 2dk3 n TYR 15 Ca 0.02 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.52 2dk3 n TYR 15 Cb 0.38 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.66 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 -0.79 1.72 -4.21 -0.72 2.81 -0.67 -4.85 117.12 110.42 2dk3 n MET 16 Ca 0.05 -1.81 -0.27 0.00 -1.81 0.00 0.00 57.70 53.86 2dk3 n MET 16 Cb 0.29 -2.84 -0.08 0.00 -0.71 0.00 0.00 33.22 29.89 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 4.52 3.69 -0.70 2.03 -7.23 -1.26 -3.54 120.40 117.90 2dk3 s VAL 17 Ca 0.53 -1.39 -0.26 0.00 -1.81 0.00 0.00 61.98 59.05 2dk3 s VAL 17 Cb 0.13 -2.83 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 2dk3 s VAL 17 CO 0.07 -0.07 1.89 -2.16 -0.31 0.00 0.00 175.10 174.52 2dk3 s PRO 18 N -2.83 2.60 0.00 4.82 0.04 -1.24 -2.52 135.00 135.88 2dk3 s PRO 18 Ca 0.27 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.63 2dk3 s PRO 18 Cb -0.10 -4.60 0.00 0.00 0.04 0.00 0.00 34.50 29.84 2dk3 s PRO 18 CO 0.18 -2.94 0.00 0.41 0.04 0.00 0.00 177.00 174.69 2dk3 n GLY 19 N 6.07 -0.54 2.39 0.56 0.00 0.18 -4.82 105.19 109.02 2dk3 n GLY 19 Ca 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.32 -2.74 4.61 0.00 -1.05 -4.88 120.51 116.77 2dk3 n ALA 20 Ca 0.00 -1.23 -0.34 0.00 0.00 0.00 0.00 53.44 51.87 2dk3 n ALA 20 Cb 0.00 0.25 -0.11 0.00 0.00 0.00 0.00 19.45 19.59 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 -3.92 3.16 0.13 0.00 1.81 -1.26 -1.95 118.95 116.92 2dk3 s ARG 21 Ca 0.40 -0.49 -0.05 0.00 -1.72 0.00 0.00 55.73 53.86 2dk3 s ARG 21 Cb -0.03 -2.77 -0.02 0.00 -0.45 0.00 0.00 34.95 31.68 2dk3 s ARG 21 CO 0.26 0.52 0.15 0.14 -0.68 0.00 0.00 175.30 175.70 2dk3 s VAL 22 N -0.41 0.10 0.19 3.52 -7.23 -1.22 -2.86 120.40 112.50 2dk3 s VAL 22 Ca 0.07 -1.61 -0.04 0.00 -1.81 0.00 0.00 61.98 58.59 2dk3 s VAL 22 Cb -0.12 -1.83 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 2dk3 s VAL 22 CO 0.02 -0.47 0.19 0.27 -0.31 0.00 0.00 175.10 174.80 2dk3 s ILE 23 N -3.98 0.03 0.05 -0.62 -4.36 0.86 -0.00 121.20 113.18 2dk3 s ILE 23 Ca 0.17 -1.82 -0.33 0.00 -0.26 0.00 0.00 60.65 58.42 2dk3 s ILE 23 Cb 0.06 -2.28 -0.12 0.00 1.25 0.00 0.00 42.46 41.37 2dk3 s ILE 23 CO -0.02 -0.14 1.80 0.54 0.24 0.00 0.00 174.94 177.36 2dk3 n ARG 24 N -0.24 2.41 0.00 0.37 1.74 -1.26 -1.75 116.66 117.93 2dk3 n ARG 24 Ca -0.01 0.88 0.00 0.00 -0.77 0.00 0.00 57.85 57.94 2dk3 n ARG 24 Cb 0.64 -2.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.36 2dk3 n ARG 24 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dk3 n GLY 25 N 4.11 0.33 0.10 -0.13 0.00 0.14 -4.76 105.19 104.98 2dk3 n GLY 25 Ca 0.20 -1.66 -0.15 0.00 0.00 0.00 0.00 46.02 44.41 2dk3 n GLY 25 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dk3 h LEU 26 N 0.00 0.31 -3.90 0.99 -0.00 -1.78 -3.34 115.31 107.59 2dk3 h LEU 26 Ca 0.00 -0.43 -0.33 0.00 -0.00 0.00 0.00 57.88 57.12 2dk3 h LEU 26 Cb 0.00 -0.10 -0.13 0.00 -0.00 0.00 0.00 40.66 40.43 2dk3 h LEU 26 CO 0.00 1.36 0.23 0.47 -0.00 0.00 0.00 178.44 180.50 2dk3 n ASP 27 N -3.41 6.15 -4.16 -0.43 9.92 -1.04 -4.75 116.55 118.83 2dk3 n ASP 27 Ca -0.14 -2.95 -0.44 0.00 -0.53 0.00 0.00 54.79 50.73 2dk3 n ASP 27 Cb 1.03 -1.19 0.00 0.00 -0.64 0.00 0.00 41.12 40.33 2dk3 n ASP 27 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 2dk3 n TRP 28 N 1.02 3.76 1.83 1.24 -0.00 -1.25 -4.36 117.44 119.67 2dk3 n TRP 28 Ca 0.36 -3.18 0.00 0.00 -0.00 0.00 0.00 57.50 54.68 2dk3 n TRP 28 Cb 0.62 -1.63 0.00 0.00 -0.00 0.00 0.00 31.31 30.30 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 2.70 0.97 -3.97 5.87 2.85 -1.26 -4.80 118.16 120.50 2dk3 n LYS 29 Ca 0.29 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.25 2dk3 n LYS 29 Cb 0.37 -1.05 -0.05 0.00 -0.65 0.00 0.00 35.03 33.65 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 -1.89 3.39 0.98 5.58 0.52 -1.26 -5.12 118.94 121.15 2dk3 s TRP 30 Ca 0.00 0.15 -0.16 0.00 0.02 0.00 0.00 56.10 56.11 2dk3 s TRP 30 Cb 0.00 -1.68 0.20 0.00 -1.15 0.00 0.00 33.47 30.84 2dk3 s TRP 30 CO 0.00 0.55 1.29 1.03 0.02 0.00 0.00 176.95 179.84 2dk3 s ARG 31 N -2.66 0.50 -0.81 4.98 0.52 -1.26 -4.84 118.95 115.38 2dk3 s ARG 31 Ca 0.33 -0.32 -0.23 0.00 -0.52 0.00 0.00 55.73 54.99 2dk3 s ARG 31 Cb -0.12 -1.82 -0.19 0.00 0.52 0.00 0.00 34.95 33.34 2dk3 s ARG 31 CO 0.26 -2.52 2.40 -0.40 0.02 0.00 0.00 175.30 175.06 2dk3 n ASP 32 N -3.86 0.84 0.01 0.23 5.68 -1.26 -4.70 116.55 113.49 2dk3 n ASP 32 Ca 0.14 -0.73 -0.14 0.00 -0.50 0.00 0.00 54.79 53.56 2dk3 n ASP 32 Cb 0.60 -1.23 -0.14 0.00 -1.14 0.00 0.00 41.12 39.20 2dk3 n ASP 32 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 2dk3 h GLN 33 N 13.81 0.14 -1.33 0.11 1.08 -1.99 -3.35 115.11 123.58 2dk3 h GLN 33 Ca -0.06 -0.23 -0.40 0.00 -1.45 0.00 0.00 58.65 56.51 2dk3 h GLN 33 Cb 1.15 0.09 -0.18 0.00 -0.05 0.00 0.00 27.48 28.49 2dk3 h GLN 33 CO 1.26 0.87 0.52 -0.40 -0.95 0.00 0.00 178.83 180.13 2dk3 n ASP 34 N -3.28 6.33 -0.91 1.46 5.68 -1.26 -4.76 116.55 119.81 2dk3 n ASP 34 Ca -0.21 -3.22 0.12 0.00 -0.50 0.00 0.00 54.79 50.99 2dk3 n ASP 34 Cb 1.05 -0.99 -0.03 0.00 -1.14 0.00 0.00 41.12 40.00 2dk3 n ASP 34 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dk3 n GLY 35 N -0.05 -1.85 3.06 6.12 0.00 -1.26 -4.45 105.19 106.75 2dk3 n GLY 35 Ca 0.38 -1.29 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 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 -5.54 1.16 0.98 1.61 0.15 -1.26 -3.87 113.70 106.92 2dk3 s SER 36 Ca 0.00 -0.31 -0.12 0.00 0.70 0.00 0.00 55.95 56.22 2dk3 s SER 36 Cb 0.00 -0.08 0.18 0.00 -1.71 0.00 0.00 66.02 64.41 2dk3 s SER 36 CO 0.00 0.03 1.09 -2.16 1.20 0.00 0.00 173.24 173.40 2dk3 s PRO 37 N -0.71 0.55 0.26 5.44 0.04 -1.26 -5.12 135.00 134.20 2dk3 s PRO 37 Ca 0.00 0.56 -0.27 0.00 0.04 0.00 0.00 61.00 61.34 2dk3 s PRO 37 Cb -0.06 -1.75 -0.09 0.00 0.04 0.00 0.00 34.50 32.64 2dk3 s PRO 37 CO 0.00 -2.66 0.89 1.14 0.04 0.00 0.00 177.00 176.42 2dk3 s GLN 38 N -4.96 4.64 0.00 4.56 1.03 -1.25 -5.01 119.66 118.67 2dk3 s GLN 38 Ca 0.65 1.31 0.00 0.00 0.04 0.00 0.00 55.36 57.36 2dk3 s GLN 38 Cb -0.18 -3.05 0.00 0.00 0.03 0.00 0.00 33.01 29.81 2dk3 s GLN 38 CO 0.57 0.42 0.00 0.41 -2.54 0.00 0.00 175.29 174.16 2dk3 n GLY 39 N 1.06 2.21 3.01 2.60 0.00 -1.26 -5.17 105.19 107.64 2dk3 n GLY 39 Ca -0.01 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 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 1.67 0.40 0.00 1.61 2.02 -1.26 -4.78 118.70 118.36 2dk3 s GLU 40 Ca 0.00 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.31 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 1.52 4.22 3.16 -1.39 0.00 1.00 -4.47 105.19 109.22 2dk3 n GLY 41 Ca -0.23 -1.95 0.04 0.00 0.00 0.00 0.00 46.02 43.88 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 1.98 -0.83 0.36 2.61 2.01 -1.25 -3.39 115.64 117.12 2dk3 s THR 42 Ca 0.00 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 61.74 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 0.94 0.52 -0.69 0.00 0.00 174.62 175.39 2dk3 n VAL 43 N 5.44 2.14 0.00 3.82 0.31 -0.82 -1.84 118.33 127.38 2dk3 n VAL 43 Ca -0.03 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 2dk3 n VAL 43 Cb 0.52 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 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 -0.21 0.00 -4.26 2.52 5.66 -0.41 0.47 114.28 118.04 2dk3 n THR 44 Ca 0.10 -0.26 -0.15 0.00 -3.05 0.00 0.00 64.05 60.69 2dk3 n THR 44 Cb 0.36 0.86 -0.10 0.00 -1.55 0.00 0.00 70.33 69.90 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 -0.80 1.14 -0.07 1.09 0.00 -0.93 -4.62 107.32 103.13 2dk3 s GLY 45 Ca 0.00 -1.53 -0.21 0.00 0.00 0.00 0.00 44.72 42.98 2dk3 s GLY 45 CO 0.00 -1.61 0.62 -0.54 0.00 0.00 0.00 173.10 171.57 2dk3 s GLU 46 N -3.76 4.39 -0.50 2.90 2.02 -1.26 -3.71 118.70 118.78 2dk3 s GLU 46 Ca 0.18 0.73 -0.33 0.00 0.02 0.00 0.00 54.97 55.57 2dk3 s GLU 46 Cb 0.03 -3.43 -0.13 0.00 0.10 0.00 0.00 34.13 30.70 2dk3 s GLU 46 CO 0.02 0.13 2.32 -0.11 0.02 0.00 0.00 175.26 177.64 2dk3 n LEU 47 N 3.61 1.74 -4.39 1.80 7.94 -1.23 -4.65 117.00 121.82 2dk3 n LEU 47 Ca -0.04 0.22 -0.34 0.00 -1.11 0.00 0.00 56.01 54.74 2dk3 n LEU 47 Cb 0.51 -1.24 -0.13 0.00 0.53 0.00 0.00 43.42 43.09 2dk3 n LEU 47 CO 0.45 -0.89 -0.39 -1.38 -1.11 0.00 0.00 177.39 174.08 2dk3 s HIS 48 N 8.43 2.93 -1.05 1.96 -3.43 0.15 -4.56 115.29 119.73 2dk3 s HIS 48 Ca 1.13 -0.64 0.00 0.00 -0.80 0.00 0.00 55.06 54.75 2dk3 s HIS 48 Cb -0.85 -1.98 0.00 0.00 -1.43 0.00 0.00 32.58 28.32 2dk3 s HIS 48 CO 0.46 -0.28 0.00 0.09 -2.00 0.00 0.00 174.74 173.01 2dk3 n ASN 49 N 4.00 -3.46 0.00 7.38 4.13 -1.26 0.08 115.26 126.13 2dk3 n ASN 49 Ca -0.18 0.24 0.00 0.00 1.68 0.00 0.00 54.58 56.32 2dk3 n ASN 49 Cb 0.52 -3.06 0.00 0.00 -1.54 0.00 0.00 39.78 35.70 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 -0.59 0.86 2.67 7.41 0.00 -1.26 -4.37 105.19 109.90 2dk3 n GLY 50 Ca -0.13 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.00 0.01 -0.01 1.61 0.52 0.11 -2.37 118.94 116.80 2dk3 s TRP 51 Ca 0.00 -0.06 0.06 0.00 0.02 0.00 0.00 56.10 56.12 2dk3 s TRP 51 Cb 0.00 -0.55 -0.03 0.00 -1.15 0.00 0.00 33.47 31.75 2dk3 s TRP 51 CO 0.00 -0.52 -0.20 -1.50 0.02 0.00 0.00 176.95 174.75 2dk3 s ILE 52 N 2.21 2.59 0.19 2.03 -1.16 -1.16 -0.68 121.20 125.22 2dk3 s ILE 52 Ca 0.04 -1.00 -0.06 0.00 -0.51 0.00 0.00 60.65 59.12 2dk3 s ILE 52 Cb -0.16 -1.99 -0.06 0.00 0.61 0.00 0.00 42.46 40.86 2dk3 s ILE 52 CO -0.10 0.52 0.45 -1.81 -2.81 0.00 0.00 174.94 171.20 2dk3 s ASP 53 N -0.86 6.53 -0.11 4.50 1.11 -1.26 -1.91 116.67 124.67 2dk3 s ASP 53 Ca 0.12 0.70 -0.05 0.00 0.18 0.00 0.00 52.55 53.50 2dk3 s ASP 53 Cb -0.10 -2.14 0.05 0.00 1.07 0.00 0.00 42.92 41.80 2dk3 s ASP 53 CO 0.01 -0.02 0.25 0.54 1.18 0.00 0.00 175.17 177.13 2dk3 s VAL 54 N -1.76 -0.20 -0.52 -1.27 0.11 -1.06 -1.29 120.40 114.41 2dk3 s VAL 54 Ca 0.43 0.21 -0.15 0.00 -2.93 0.00 0.00 61.98 59.54 2dk3 s VAL 54 Cb -0.12 -0.40 0.11 0.00 -1.53 0.00 0.00 36.38 34.45 2dk3 s VAL 54 CO 0.24 0.09 0.46 -0.89 -3.33 0.00 0.00 175.10 171.67 2dk3 s THR 55 N 1.77 5.12 0.38 5.04 2.01 -0.76 -3.24 115.64 125.96 2dk3 s THR 55 Ca -0.05 -1.42 -0.25 0.00 0.31 0.00 0.00 61.69 60.28 2dk3 s THR 55 Cb -0.11 -4.23 -0.09 0.00 0.01 0.00 0.00 72.50 68.08 2dk3 s THR 55 CO -0.08 -0.79 1.12 0.26 -0.69 0.00 0.00 174.62 174.44 2dk3 s TRP 56 N 1.59 3.21 0.20 4.92 0.52 -1.26 -3.78 118.94 124.34 2dk3 s TRP 56 Ca 0.03 1.61 -0.18 0.00 0.02 0.00 0.00 56.10 57.58 2dk3 s TRP 56 Cb -0.28 -3.29 0.17 0.00 -1.15 0.00 0.00 33.47 28.92 2dk3 s TRP 56 CO 0.04 -0.97 1.60 0.22 0.02 0.00 0.00 176.95 177.85 2dk3 h ASP 57 N 2.77 -0.94 -0.81 2.95 3.58 -1.92 -0.70 116.42 121.35 2dk3 h ASP 57 Ca -0.48 0.21 0.16 0.00 0.42 0.00 0.00 57.03 57.34 2dk3 h ASP 57 Cb 1.22 0.51 -0.15 0.00 1.72 0.00 0.00 39.33 42.63 2dk3 h ASP 57 CO 0.63 -0.27 -0.22 0.00 -2.88 0.00 0.00 179.24 176.50 2dk3 n ALA 58 N -3.13 0.15 0.00 -0.78 0.00 -1.26 -4.80 120.51 110.69 2dk3 n ALA 58 Ca 0.06 0.88 0.00 0.00 0.00 0.00 0.00 53.44 54.38 2dk3 n ALA 58 Cb 0.35 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 -1.49 1.46 0.00 0.00 0.00 -0.27 -4.96 105.19 99.92 2dk3 n GLY 59 Ca 0.12 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.67 3.89 -0.02 0.00 -1.25 -4.99 105.19 102.14 2dk3 n GLY 60 Ca 0.00 0.72 -0.31 0.00 0.00 0.00 0.00 46.02 46.43 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 6.56 0.03 1.61 1.04 -1.26 -4.12 113.70 117.55 2dk3 s SER 61 Ca 0.00 0.83 -0.28 0.00 0.48 0.00 0.00 55.95 56.97 2dk3 s SER 61 Cb 0.00 -2.19 0.10 0.00 0.10 0.00 0.00 66.02 64.03 2dk3 s SER 61 CO 0.00 -0.09 1.01 0.21 0.98 0.00 0.00 173.24 175.35 2dk3 s ASN 62 N -2.59 -0.23 0.02 7.02 3.84 -1.20 -4.96 114.94 116.84 2dk3 s ASN 62 Ca 0.46 -0.16 -0.21 0.00 0.21 0.00 0.00 52.86 53.16 2dk3 s ASN 62 Cb -0.11 0.36 -0.06 0.00 -0.55 0.00 0.00 41.25 40.89 2dk3 s ASN 62 CO 0.24 -0.62 0.61 -0.44 -2.79 0.00 0.00 177.10 174.10 2dk3 s SER 63 N -2.68 7.02 0.03 -4.21 0.01 -1.26 -2.57 113.70 110.05 2dk3 s SER 63 Ca 0.09 1.22 0.06 0.00 1.31 0.00 0.00 55.95 58.63 2dk3 s SER 63 Cb -0.00 -2.38 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 2dk3 s SER 63 CO -0.04 0.12 -0.17 -0.31 0.41 0.00 0.00 173.24 173.25 2dk3 s TYR 64 N -0.34 1.50 0.14 2.43 1.51 -0.80 -4.96 117.35 116.84 2dk3 s TYR 64 Ca 0.32 -0.35 -0.31 0.00 -1.01 0.00 0.00 57.07 55.71 2dk3 s TYR 64 Cb -0.19 -0.90 -0.09 0.00 -0.11 0.00 0.00 41.96 40.67 2dk3 s TYR 64 CO 0.18 0.05 1.50 1.03 -1.11 0.00 0.00 175.55 177.20 2dk3 s ARG 65 N -1.03 4.26 -0.04 -0.62 0.52 -1.26 -3.01 118.95 117.76 2dk3 s ARG 65 Ca 0.05 2.25 0.09 0.00 -0.52 0.00 0.00 55.73 57.59 2dk3 s ARG 65 Cb -0.08 -3.19 0.16 0.00 0.52 0.00 0.00 34.95 32.36 2dk3 s ARG 65 CO 0.01 -0.54 1.07 -1.33 0.02 0.00 0.00 175.30 174.54 2dk3 n MET 66 N 3.96 0.36 0.00 3.54 2.81 -1.00 -0.39 117.12 126.40 2dk3 n MET 66 Ca 0.13 -1.64 0.00 0.00 -1.81 0.00 0.00 57.70 54.38 2dk3 n MET 66 Cb 0.40 -0.68 0.00 0.00 -0.71 0.00 0.00 33.22 32.23 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 -0.27 0.57 0.28 3.03 0.00 -1.13 -4.81 105.19 102.86 2dk3 n GLY 67 Ca 0.05 0.00 0.07 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 h ALA 68 N 0.00 0.93 -0.03 4.61 0.00 -1.74 -1.61 119.26 121.41 2dk3 h ALA 68 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2dk3 h ALA 68 Cb 0.00 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2dk3 h ALA 68 CO 0.00 -0.42 0.00 0.39 0.00 0.00 0.00 179.25 179.22 2dk3 n GLU 69 N -5.29 1.50 -2.22 0.00 1.02 -1.26 -4.96 120.64 109.44 2dk3 n GLU 69 Ca 0.15 -2.57 -0.05 0.00 -0.02 0.00 0.00 57.16 54.67 2dk3 n GLU 69 Cb 0.52 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 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 -1.31 0.24 2.93 0.62 0.00 -0.61 -5.04 105.19 102.02 2dk3 n GLY 70 Ca 0.16 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 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 -4.46 1.45 -0.66 1.61 -0.14 -1.26 -4.92 119.74 111.37 2dk3 s LYS 71 Ca 0.03 -0.27 -0.17 0.00 -1.36 0.00 0.00 55.97 54.20 2dk3 s LYS 71 Cb -0.01 -1.41 0.14 0.00 -1.68 0.00 0.00 37.83 34.87 2dk3 s LYS 71 CO 0.03 -0.15 0.68 -0.06 -0.76 0.00 0.00 175.35 175.09 2dk3 s PHE 72 N 1.30 3.28 0.08 3.18 0.08 -1.26 -2.77 117.98 121.86 2dk3 s PHE 72 Ca -0.03 -1.36 0.08 0.00 0.12 0.00 0.00 56.93 55.74 2dk3 s PHE 72 Cb -0.14 -3.91 -0.17 0.00 -0.57 0.00 0.00 43.02 38.23 2dk3 s PHE 72 CO -0.03 -1.14 1.28 -0.44 -0.10 0.00 0.00 175.22 174.79 2dk3 h ASP 73 N 8.72 0.00 -2.31 1.36 5.19 -0.91 -2.74 116.42 125.72 2dk3 h ASP 73 Ca -0.17 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.64 2dk3 h ASP 73 Cb 1.08 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.45 2dk3 h ASP 73 CO 1.00 0.93 -0.73 -0.76 -3.12 0.00 0.00 179.24 176.56 2dk3 s LEU 74 N -6.65 2.76 0.13 1.55 1.43 -1.26 0.23 118.68 116.87 2dk3 s LEU 74 Ca 0.01 -0.89 -0.19 0.00 -1.03 0.00 0.00 54.13 52.03 2dk3 s LEU 74 Cb 0.10 -1.30 0.05 0.00 0.03 0.00 0.00 46.19 45.07 2dk3 s LEU 74 CO 0.81 0.04 0.48 -1.59 0.23 0.00 0.00 176.35 176.32 2dk3 s LYS 75 N -3.46 1.14 0.46 1.70 -2.85 -0.72 -4.65 119.74 111.35 2dk3 s LYS 75 Ca 0.29 -0.57 -0.23 0.00 -1.00 0.00 0.00 55.97 54.47 2dk3 s LYS 75 Cb -0.06 0.51 -0.09 0.00 -2.06 0.00 0.00 37.83 36.13 2dk3 s LYS 75 CO 0.16 -0.46 0.95 1.28 0.10 0.00 0.00 175.35 177.38 2dk3 n LEU 76 N -0.20 2.60 -4.77 2.77 4.77 -1.26 -0.10 117.00 120.81 2dk3 n LEU 76 Ca -0.17 0.97 -0.33 0.00 -0.03 0.00 0.00 56.01 56.45 2dk3 n LEU 76 Cb 0.64 -1.34 0.04 0.00 -2.33 0.00 0.00 43.42 40.43 2dk3 n LEU 76 CO 0.16 -1.70 0.74 0.00 -1.33 0.00 0.00 177.39 175.26 2dk3 s ALA 77 N -1.36 2.49 -1.16 -1.18 0.00 -1.13 -4.43 121.76 114.99 2dk3 s ALA 77 Ca 0.66 0.55 -0.23 0.00 0.00 0.00 0.00 51.96 52.93 2dk3 s ALA 77 Cb -0.52 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.20 2dk3 s ALA 77 CO 0.55 -1.24 1.93 -1.25 0.00 0.00 0.00 175.76 175.75 2dk3 s PRO 78 N -4.08 2.50 0.00 0.00 0.04 -1.26 -2.14 135.00 130.06 2dk3 s PRO 78 Ca 0.67 -1.08 0.00 0.00 0.04 0.00 0.00 61.00 60.63 2dk3 s PRO 78 Cb -0.20 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.11 2dk3 s PRO 78 CO 0.41 -3.92 0.00 0.41 0.04 0.00 0.00 177.00 173.94 2dk3 n GLY 79 N 5.91 0.88 3.34 0.56 0.00 -1.26 -5.13 105.19 109.48 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 -1.14 2.90 -0.20 1.61 6.14 -0.91 -5.01 117.35 120.74 2dk3 s TYR 80 Ca 0.00 -0.82 -0.16 0.00 0.64 0.00 0.00 57.07 56.73 2dk3 s TYR 80 Cb 0.00 -1.98 -0.07 0.00 0.42 0.00 0.00 41.96 40.32 2dk3 s TYR 80 CO 0.00 -0.40 -0.30 0.43 0.64 0.00 0.00 175.55 175.93 2dk3 n SER 81 N 4.20 1.92 0.00 4.32 7.64 -1.26 -4.72 113.62 125.72 2dk3 n SER 81 Ca -0.18 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.08 2dk3 n SER 81 Cb 0.52 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 2dk3 n SER 81 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk3 n GLY 82 N 1.44 0.67 3.77 0.23 0.00 -1.26 -5.05 105.19 104.99 2dk3 n GLY 82 Ca -0.22 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 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 3.49 0.03 1.61 0.04 -1.26 -5.03 135.00 131.88 2dk3 s PRO 83 Ca 0.00 1.66 -0.17 0.00 0.04 0.00 0.00 61.00 62.53 2dk3 s PRO 83 Cb 0.00 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 2dk3 s PRO 83 CO 0.00 -0.75 0.49 -1.54 0.04 0.00 0.00 177.00 175.24 2dk3 s SER 84 N -1.64 6.93 1.28 6.66 1.04 -1.26 -5.08 113.70 121.63 2dk3 s SER 84 Ca 0.70 1.10 -0.20 0.00 0.48 0.00 0.00 55.95 58.02 2dk3 s SER 84 Cb -0.25 -2.30 0.32 0.00 0.10 0.00 0.00 66.02 63.88 2dk3 s SER 84 CO 0.29 0.29 1.04 -0.94 0.98 0.00 0.00 173.24 174.90 2dk3 s SER 85 N -1.02 0.18 0.00 7.02 1.04 -1.26 -5.34 113.70 114.32 2dk3 s SER 85 Ca 0.26 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.43 2dk3 s SER 85 Cb -0.18 -1.04 0.00 0.00 0.10 0.00 0.00 66.02 64.90 2dk3 s SER 85 CO 0.16 -4.59 0.00 0.61 0.98 0.00 0.00 173.24 170.40