#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 -0.16 0.17 1.61 0.15 -1.26 -5.16 113.70 109.05 2dk3 s SER 2 Ca 0.00 0.35 0.03 0.00 0.70 0.00 0.00 55.95 57.03 2dk3 s SER 2 Cb 0.00 0.28 -0.03 0.00 -1.71 0.00 0.00 66.02 64.56 2dk3 s SER 2 CO 0.00 -0.11 0.28 -0.55 1.20 0.00 0.00 173.24 174.06 2dk3 s SER 3 N 0.75 6.25 0.00 5.45 0.15 -1.26 -5.08 113.70 119.97 2dk3 s SER 3 Ca -0.06 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2dk3 s SER 3 Cb -0.07 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 2dk3 s SER 3 CO -0.04 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.04 2dk3 n GLY 4 N -0.69 3.56 3.14 9.45 0.00 -1.26 -5.19 105.19 114.21 2dk3 n GLY 4 Ca -0.07 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 0.44 0.21 1.61 0.15 -1.26 -5.18 113.70 109.67 2dk3 s SER 5 Ca 0.00 -1.15 -0.04 0.00 0.70 0.00 0.00 55.95 55.45 2dk3 s SER 5 Cb 0.00 0.26 -0.03 0.00 -1.71 0.00 0.00 66.02 64.54 2dk3 s SER 5 CO 0.00 -0.68 0.23 -0.94 1.20 0.00 0.00 173.24 173.05 2dk3 s SER 6 N -3.03 0.08 0.01 5.45 1.04 -1.26 -5.09 113.70 110.91 2dk3 s SER 6 Ca 0.20 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.38 2dk3 s SER 6 Cb 0.07 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2dk3 s SER 6 CO -0.01 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.90 2dk3 n GLY 7 N -0.30 -3.52 0.20 7.32 0.00 -1.26 -4.90 105.19 102.74 2dk3 n GLY 7 Ca 0.01 -0.48 -0.03 0.00 0.00 0.00 0.00 46.02 45.52 2dk3 n GLY 7 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2dk3 h VAL 8 N 0.88 1.32 -2.97 1.61 3.04 -2.06 -3.45 116.25 114.62 2dk3 h VAL 8 Ca 0.00 -1.57 -0.25 0.00 -1.01 0.00 0.00 66.70 63.87 2dk3 h VAL 8 Cb 0.00 1.70 0.11 0.00 -2.01 0.00 0.00 31.29 31.09 2dk3 h VAL 8 CO 0.00 0.47 0.20 -2.11 -1.01 0.00 0.00 177.57 175.13 2dk3 n ARG 9 N -4.01 -1.13 -2.89 4.17 0.00 -1.26 -4.30 116.66 107.23 2dk3 n ARG 9 Ca -0.02 -1.17 -0.22 0.00 -0.00 0.00 0.00 57.85 56.45 2dk3 n ARG 9 Cb 0.50 -0.85 0.02 0.00 -0.00 0.00 0.00 32.46 32.13 2dk3 n ARG 9 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2dk3 n SER 10 N -3.65 -5.95 -0.03 2.89 3.41 -1.26 -4.90 113.62 104.13 2dk3 n SER 10 Ca 0.10 -0.22 -0.21 0.00 -0.26 0.00 0.00 58.87 58.28 2dk3 n SER 10 Cb 0.34 -4.84 -0.13 0.00 -0.26 0.00 0.00 64.21 59.32 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 -1.04 0.15 -0.30 4.33 3.07 -1.91 -3.36 115.11 116.06 2dk3 h GLN 11 Ca -0.52 -0.26 -0.03 0.00 0.09 0.00 0.00 58.65 57.94 2dk3 h GLN 11 Cb 1.36 0.10 -0.02 0.00 0.08 0.00 0.00 27.48 29.00 2dk3 h GLN 11 CO 0.57 1.12 0.06 -0.24 0.09 0.00 0.00 178.83 180.43 2dk3 h VAL 12 N -0.55 1.15 -0.17 1.86 3.04 -1.94 -1.85 116.25 117.79 2dk3 h VAL 12 Ca -0.28 -0.54 0.05 0.00 -1.01 0.00 0.00 66.70 64.92 2dk3 h VAL 12 Cb 1.56 0.86 -0.01 0.00 -2.01 0.00 0.00 31.29 31.69 2dk3 h VAL 12 CO -0.02 0.19 0.31 -0.07 -1.01 0.00 0.00 177.57 176.97 2dk3 h LEU 13 N 0.43 0.00 -1.10 3.16 3.38 -1.91 0.45 115.31 119.71 2dk3 h LEU 13 Ca 0.10 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2dk3 h LEU 13 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2dk3 h LEU 13 CO -0.00 0.00 -0.23 0.11 0.09 0.00 0.00 178.44 178.41 2dk3 h LYS 14 N 0.00 0.00 0.00 1.13 1.57 -1.51 -3.04 116.57 114.72 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 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2dk3 h LYS 14 CO -0.00 0.23 -1.57 0.66 -0.57 0.00 0.00 179.45 178.20 2dk3 n TYR 15 N -3.39 0.00 -1.69 -1.35 4.02 0.14 -4.87 117.16 110.02 2dk3 n TYR 15 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.67 2dk3 n TYR 15 Cb 0.43 -0.31 -0.06 0.00 -0.02 0.00 0.00 39.34 39.39 2dk3 n TYR 15 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 2dk3 s MET 16 N -3.12 1.93 0.07 -0.72 -1.94 -0.32 -4.88 119.30 110.31 2dk3 s MET 16 Ca -0.03 0.52 0.02 0.00 -1.71 0.00 0.00 55.69 54.49 2dk3 s MET 16 Cb 0.12 -4.78 -0.03 0.00 2.01 0.00 0.00 34.83 32.16 2dk3 s MET 16 CO 0.76 -3.93 -0.07 0.14 -0.01 0.00 0.00 175.02 171.91 2dk3 s VAL 17 N 13.10 0.59 -0.75 -6.03 -7.23 -1.26 -4.26 120.40 114.56 2dk3 s VAL 17 Ca 0.88 -1.50 -0.26 0.00 -1.81 0.00 0.00 61.98 59.29 2dk3 s VAL 17 Cb -0.12 -1.14 -0.03 0.00 0.56 0.00 0.00 36.38 35.64 2dk3 s VAL 17 CO 0.10 -0.64 1.90 -2.16 -0.31 0.00 0.00 175.10 174.00 2dk3 s PRO 18 N -2.72 2.59 0.00 4.82 0.04 -1.25 -2.40 135.00 136.07 2dk3 s PRO 18 Ca 0.01 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.24 2dk3 s PRO 18 Cb -0.02 -4.71 0.00 0.00 0.04 0.00 0.00 34.50 29.81 2dk3 s PRO 18 CO -0.02 -3.04 0.00 0.41 0.04 0.00 0.00 177.00 174.38 2dk3 n GLY 19 N 6.25 -0.17 2.64 0.56 0.00 0.56 -4.80 105.19 110.23 2dk3 n GLY 19 Ca 0.30 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.16 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 0.17 -2.61 4.61 0.00 -1.01 -4.89 120.51 116.78 2dk3 n ALA 20 Ca 0.00 -1.33 -0.33 0.00 0.00 0.00 0.00 53.44 51.77 2dk3 n ALA 20 Cb 0.00 0.23 -0.11 0.00 0.00 0.00 0.00 19.45 19.57 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 -4.21 2.71 0.17 0.00 1.81 -1.26 -2.27 118.95 115.90 2dk3 s ARG 21 Ca 0.45 -0.59 -0.12 0.00 -1.72 0.00 0.00 55.73 53.74 2dk3 s ARG 21 Cb -0.03 -2.59 0.00 0.00 -0.45 0.00 0.00 34.95 31.89 2dk3 s ARG 21 CO 0.30 0.65 0.37 0.14 -0.68 0.00 0.00 175.30 176.07 2dk3 s VAL 22 N -0.90 0.05 0.35 3.52 -7.23 -1.13 -3.34 120.40 111.71 2dk3 s VAL 22 Ca 0.15 -1.16 0.04 0.00 -1.81 0.00 0.00 61.98 59.19 2dk3 s VAL 22 Cb -0.11 -1.74 -0.01 0.00 0.56 0.00 0.00 36.38 35.08 2dk3 s VAL 22 CO 0.04 -0.24 0.38 2.30 -0.31 0.00 0.00 175.10 177.28 2dk3 n ILE 23 N -0.26 0.00 -2.13 -0.62 -5.35 0.76 -0.94 119.36 110.82 2dk3 n ILE 23 Ca -0.08 -2.21 -0.42 0.00 -0.27 0.00 0.00 62.75 59.76 2dk3 n ILE 23 Cb 0.63 1.20 -0.03 0.00 -1.74 0.00 0.00 39.64 39.70 2dk3 n ILE 23 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2dk3 s ARG 24 N -3.14 4.28 0.00 6.28 1.70 -1.26 -1.62 118.95 125.19 2dk3 s ARG 24 Ca 0.36 2.10 0.00 0.00 -0.47 0.00 0.00 55.73 57.72 2dk3 s ARG 24 Cb 0.01 -3.41 0.00 0.00 -0.57 0.00 0.00 34.95 30.97 2dk3 s ARG 24 CO 0.26 -0.54 0.00 0.41 -1.08 0.00 0.00 175.30 174.34 2dk3 n GLY 25 N 3.64 1.17 0.13 3.88 0.00 0.44 -4.76 105.19 109.70 2dk3 n GLY 25 Ca 0.13 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 45.02 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 2.63 -1.61 0.99 -0.00 -1.24 -4.32 117.00 113.44 2dk3 n LEU 26 Ca 0.00 0.01 -0.05 0.00 -0.00 0.00 0.00 56.01 55.97 2dk3 n LEU 26 Cb 0.00 -0.87 0.01 0.00 -0.00 0.00 0.00 43.42 42.56 2dk3 n LEU 26 CO 0.00 0.87 1.06 0.47 -0.00 0.00 0.00 177.39 179.78 2dk3 n ASP 27 N -3.30 5.63 -4.54 1.45 8.00 -1.08 -4.80 116.55 117.92 2dk3 n ASP 27 Ca -0.39 -2.61 -0.42 0.00 0.71 0.00 0.00 54.79 52.07 2dk3 n ASP 27 Cb 1.02 -1.09 -0.02 0.00 -0.02 0.00 0.00 41.12 41.02 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 -0.58 2.83 -0.19 1.24 -0.11 -1.26 -4.36 118.94 116.51 2dk3 s TRP 28 Ca 0.10 -1.34 0.01 0.00 1.22 0.00 0.00 56.10 56.08 2dk3 s TRP 28 Cb 0.08 -4.60 0.21 0.00 -1.50 0.00 0.00 33.47 27.65 2dk3 s TRP 28 CO -0.00 -1.76 1.57 0.36 -4.62 0.00 0.00 176.95 172.50 2dk3 n LYS 29 N 7.95 1.49 -4.42 5.86 -0.00 -1.26 -4.87 118.16 122.91 2dk3 n LYS 29 Ca 0.37 -1.09 -0.27 0.00 -0.00 0.00 0.00 58.31 57.32 2dk3 n LYS 29 Cb 0.48 -1.43 -0.09 0.00 -0.00 0.00 0.00 35.03 33.99 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 -1.22 2.49 0.00 5.58 0.52 -1.26 -5.10 118.94 119.94 2dk3 s TRP 30 Ca 0.21 -0.66 0.00 0.00 0.02 0.00 0.00 56.10 55.67 2dk3 s TRP 30 Cb 0.17 -1.84 0.00 0.00 -1.15 0.00 0.00 33.47 30.65 2dk3 s TRP 30 CO 0.02 0.31 0.00 0.54 0.02 0.00 0.00 176.95 177.85 2dk3 n ARG 31 N -1.11 0.00 -0.83 4.98 1.74 -1.26 -4.89 116.66 115.29 2dk3 n ARG 31 Ca -0.04 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.07 2dk3 n ARG 31 Cb 0.66 -0.41 0.05 0.00 -1.02 0.00 0.00 32.46 31.74 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 -2.42 0.88 -0.31 0.55 5.68 -1.26 -4.90 116.55 114.77 2dk3 n ASP 32 Ca 0.00 -2.37 -0.01 0.00 -0.50 0.00 0.00 54.79 51.91 2dk3 n ASP 32 Cb 0.00 -0.31 0.06 0.00 -1.14 0.00 0.00 41.12 39.73 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 0.49 -0.05 -0.70 0.11 1.08 -2.01 0.36 115.11 114.40 2dk3 h GLN 33 Ca -0.08 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.26 2dk3 h GLN 33 Cb 1.48 0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 28.82 2dk3 h GLN 33 CO 0.04 -0.03 0.18 0.22 -0.95 0.00 0.00 178.83 178.29 2dk3 h ASP 34 N -0.05 0.05 0.00 1.46 3.58 -1.95 -3.45 116.42 116.06 2dk3 h ASP 34 Ca 0.34 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.92 2dk3 h ASP 34 Cb 0.60 0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.81 2dk3 h ASP 34 CO -0.87 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.10 2dk3 n GLY 35 N -1.34 3.82 3.88 -0.78 0.00 0.13 -4.22 105.19 106.67 2dk3 n GLY 35 Ca 0.12 -1.41 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 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 0.00 6.33 0.61 1.61 0.15 -1.26 -2.97 113.70 118.17 2dk3 s SER 36 Ca 0.00 0.43 -0.17 0.00 0.70 0.00 0.00 55.95 56.91 2dk3 s SER 36 Cb 0.00 -2.02 -0.02 0.00 -1.71 0.00 0.00 66.02 62.26 2dk3 s SER 36 CO 0.00 0.38 1.12 -2.16 1.20 0.00 0.00 173.24 173.77 2dk3 s PRO 37 N -1.22 3.02 0.27 5.44 0.04 -1.26 -5.07 135.00 136.22 2dk3 s PRO 37 Ca 0.18 1.48 -0.27 0.00 0.04 0.00 0.00 61.00 62.42 2dk3 s PRO 37 Cb -0.12 -1.97 -0.15 0.00 0.04 0.00 0.00 34.50 32.30 2dk3 s PRO 37 CO 0.07 -1.09 0.80 1.04 0.04 0.00 0.00 177.00 177.86 2dk3 n GLN 38 N -1.97 0.82 0.00 4.56 1.13 -1.16 -4.93 117.38 115.83 2dk3 n GLN 38 Ca 0.11 0.29 0.00 0.00 -1.94 0.00 0.00 57.00 55.46 2dk3 n GLN 38 Cb 0.52 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 29.34 2dk3 n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dk3 n GLY 39 N 1.54 3.93 3.00 1.08 0.00 -1.26 -5.08 105.19 108.40 2dk3 n GLY 39 Ca 0.13 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 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 4.17 0.47 0.36 1.61 2.02 -1.26 -4.85 118.70 121.21 2dk3 s GLU 40 Ca 0.00 -0.45 0.03 0.00 0.02 0.00 0.00 54.97 54.58 2dk3 s GLU 40 Cb 0.00 -0.35 0.06 0.00 0.10 0.00 0.00 34.13 33.95 2dk3 s GLU 40 CO 0.00 0.08 0.50 0.41 0.02 0.00 0.00 175.26 176.27 2dk3 n GLY 41 N 2.26 1.49 2.78 -1.39 0.00 -0.12 -4.20 105.19 106.01 2dk3 n GLY 41 Ca -0.17 -2.12 -0.16 0.00 0.00 0.00 0.00 46.02 43.57 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 -1.26 -0.40 0.23 2.61 2.01 -1.21 -2.85 115.64 114.76 2dk3 s THR 42 Ca 0.36 -0.27 -0.31 0.00 0.31 0.00 0.00 61.69 61.78 2dk3 s THR 42 Cb -0.03 -0.83 -0.15 0.00 0.01 0.00 0.00 72.50 71.51 2dk3 s THR 42 CO 0.23 -0.30 1.19 0.52 -0.69 0.00 0.00 174.62 175.57 2dk3 n VAL 43 N 5.32 1.23 -0.05 3.82 0.31 -0.96 -1.80 118.33 126.19 2dk3 n VAL 43 Ca -0.04 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2dk3 n VAL 43 Cb 0.48 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 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 1.23 0.00 -4.27 2.52 5.66 -0.80 0.21 114.28 118.83 2dk3 n THR 44 Ca 0.12 -0.31 -0.20 0.00 -3.05 0.00 0.00 64.05 60.62 2dk3 n THR 44 Cb 0.29 1.05 -0.11 0.00 -1.55 0.00 0.00 70.33 70.01 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 -0.53 1.18 0.21 1.09 0.00 -0.98 -4.62 107.32 103.67 2dk3 s GLY 45 Ca 0.00 -1.33 -0.29 0.00 0.00 0.00 0.00 44.72 43.10 2dk3 s GLY 45 CO 0.00 -1.37 0.91 -0.54 0.00 0.00 0.00 173.10 172.10 2dk3 s GLU 46 N -2.54 4.78 -0.59 2.90 8.01 -1.26 -3.87 118.70 126.13 2dk3 s GLU 46 Ca 0.10 1.42 -0.26 0.00 0.01 0.00 0.00 54.97 56.24 2dk3 s GLU 46 Cb -0.06 -3.29 -0.04 0.00 -4.31 0.00 0.00 34.13 26.43 2dk3 s GLU 46 CO 0.04 0.49 2.01 -1.17 0.01 0.00 0.00 175.26 176.64 2dk3 s LEU 47 N -1.01 3.31 -0.23 1.80 2.96 -1.26 -4.46 118.68 119.79 2dk3 s LEU 47 Ca 0.41 0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 54.74 2dk3 s LEU 47 Cb -0.25 -2.52 -0.03 0.00 0.50 0.00 0.00 46.19 43.89 2dk3 s LEU 47 CO 0.31 -2.54 0.04 -1.38 -1.32 0.00 0.00 176.35 171.45 2dk3 s HIS 48 N 9.98 3.06 -1.46 5.38 -3.43 0.24 -4.51 115.29 124.56 2dk3 s HIS 48 Ca 0.75 -0.48 -0.08 0.00 -0.80 0.00 0.00 55.06 54.45 2dk3 s HIS 48 Cb -0.14 -2.17 0.03 0.00 -1.43 0.00 0.00 32.58 28.87 2dk3 s HIS 48 CO 0.21 -0.33 0.75 0.09 -2.00 0.00 0.00 174.74 173.45 2dk3 n ASN 49 N 4.67 -5.47 -1.14 7.38 4.13 -1.26 -1.71 115.26 121.86 2dk3 n ASN 49 Ca -0.17 -0.43 -0.07 0.00 1.68 0.00 0.00 54.58 55.60 2dk3 n ASN 49 Cb 0.51 -4.41 0.01 0.00 -1.54 0.00 0.00 39.78 34.36 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 -1.56 0.37 2.87 7.41 0.00 -1.26 -4.32 105.19 108.69 2dk3 n GLY 50 Ca -0.05 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.80 -0.52 -0.00 1.61 0.52 -0.69 -2.57 118.94 114.48 2dk3 s TRP 51 Ca 0.11 0.60 0.07 0.00 0.02 0.00 0.00 56.10 56.90 2dk3 s TRP 51 Cb -0.05 -0.15 -0.02 0.00 -1.15 0.00 0.00 33.47 32.11 2dk3 s TRP 51 CO 0.13 -0.61 -0.21 -1.50 0.02 0.00 0.00 176.95 174.78 2dk3 s ILE 52 N 2.43 1.65 0.33 2.03 -1.16 -1.24 -0.59 121.20 124.66 2dk3 s ILE 52 Ca 0.08 -0.95 -0.09 0.00 -0.51 0.00 0.00 60.65 59.18 2dk3 s ILE 52 Cb -0.15 -1.38 -0.06 0.00 0.61 0.00 0.00 42.46 41.47 2dk3 s ILE 52 CO -0.13 0.41 0.67 -1.81 -2.81 0.00 0.00 174.94 171.27 2dk3 s ASP 53 N -0.63 6.54 -0.18 4.50 1.11 -1.25 -2.34 116.67 124.43 2dk3 s ASP 53 Ca 0.08 0.99 -0.06 0.00 0.18 0.00 0.00 52.55 53.73 2dk3 s ASP 53 Cb -0.08 -2.26 0.08 0.00 1.07 0.00 0.00 42.92 41.73 2dk3 s ASP 53 CO -0.00 -0.27 0.37 0.54 1.18 0.00 0.00 175.17 176.99 2dk3 s VAL 54 N -2.16 -0.57 -0.52 -1.27 0.11 -1.06 -1.90 120.40 113.04 2dk3 s VAL 54 Ca 0.49 0.20 -0.17 0.00 -2.93 0.00 0.00 61.98 59.56 2dk3 s VAL 54 Cb -0.11 -0.60 0.08 0.00 -1.53 0.00 0.00 36.38 34.23 2dk3 s VAL 54 CO 0.28 0.08 0.55 -0.89 -3.33 0.00 0.00 175.10 171.79 2dk3 s THR 55 N 2.54 5.03 0.53 5.04 2.01 -0.75 -3.26 115.64 126.78 2dk3 s THR 55 Ca -0.01 -0.90 -0.20 0.00 0.31 0.00 0.00 61.69 60.89 2dk3 s THR 55 Cb -0.12 -4.28 -0.06 0.00 0.01 0.00 0.00 72.50 68.05 2dk3 s THR 55 CO -0.11 -0.80 1.14 0.26 -0.69 0.00 0.00 174.62 174.42 2dk3 s TRP 56 N 2.18 2.68 0.17 4.92 0.52 0.12 -3.36 118.94 126.16 2dk3 s TRP 56 Ca 0.09 1.54 -0.16 0.00 0.02 0.00 0.00 56.10 57.59 2dk3 s TRP 56 Cb -0.23 -3.33 0.11 0.00 -1.15 0.00 0.00 33.47 28.87 2dk3 s TRP 56 CO 0.08 -1.63 1.69 0.22 0.02 0.00 0.00 176.95 177.33 2dk3 h ASP 57 N 1.32 -0.20 -0.71 2.95 1.82 -1.83 -2.57 116.42 117.20 2dk3 h ASP 57 Ca -0.50 0.10 0.10 0.00 -0.39 0.00 0.00 57.03 56.33 2dk3 h ASP 57 Cb 1.26 0.18 -0.11 0.00 0.68 0.00 0.00 39.33 41.34 2dk3 h ASP 57 CO 0.57 -0.06 -0.32 0.00 -1.61 0.00 0.00 179.24 177.82 2dk3 n ALA 58 N -2.58 -0.19 0.00 -0.78 0.00 -1.26 -4.71 120.51 110.99 2dk3 n ALA 58 Ca 0.03 0.68 0.00 0.00 0.00 0.00 0.00 53.44 54.15 2dk3 n ALA 58 Cb 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.29 0.00 3.35 0.00 0.00 -0.97 -5.11 105.19 101.17 2dk3 n GLY 59 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 2dk3 n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dk3 s GLY 60 N 0.00 -0.32 -0.06 -0.02 0.00 -1.22 -5.01 107.32 100.69 2dk3 s GLY 60 Ca 0.00 0.69 -0.10 0.00 0.00 0.00 0.00 44.72 45.31 2dk3 s GLY 60 CO 0.00 0.42 0.25 -0.45 0.00 0.00 0.00 173.10 173.32 2dk3 s SER 61 N -1.33 -0.19 0.12 1.64 0.15 -1.26 0.11 113.70 112.94 2dk3 s SER 61 Ca -0.12 0.27 -0.26 0.00 0.70 0.00 0.00 55.95 56.54 2dk3 s SER 61 Cb -0.03 0.42 0.07 0.00 -1.71 0.00 0.00 66.02 64.77 2dk3 s SER 61 CO 0.06 -0.23 1.02 0.21 1.20 0.00 0.00 173.24 175.50 2dk3 s ASN 62 N -0.52 -0.15 0.06 5.45 3.84 -1.20 -4.96 114.94 117.46 2dk3 s ASN 62 Ca -0.06 -0.37 -0.21 0.00 0.21 0.00 0.00 52.86 52.43 2dk3 s ASN 62 Cb -0.04 0.43 -0.06 0.00 -0.55 0.00 0.00 41.25 41.03 2dk3 s ASN 62 CO 0.02 -0.80 0.63 -0.44 -2.79 0.00 0.00 177.10 173.72 2dk3 s SER 63 N -2.96 7.10 -0.04 -4.21 0.01 -1.26 -2.55 113.70 109.79 2dk3 s SER 63 Ca 0.13 1.31 0.04 0.00 1.31 0.00 0.00 55.95 58.74 2dk3 s SER 63 Cb -0.00 -2.39 -0.00 0.00 0.21 0.00 0.00 66.02 63.83 2dk3 s SER 63 CO 0.01 0.18 -0.17 -0.31 0.41 0.00 0.00 173.24 173.37 2dk3 s TYR 64 N -0.72 1.67 0.07 2.43 1.51 -0.99 -4.97 117.35 116.34 2dk3 s TYR 64 Ca 0.32 -0.46 -0.31 0.00 -1.01 0.00 0.00 57.07 55.60 2dk3 s TYR 64 Cb -0.20 -1.12 -0.10 0.00 -0.11 0.00 0.00 41.96 40.43 2dk3 s TYR 64 CO 0.20 -0.15 1.89 0.54 -1.11 0.00 0.00 175.55 176.92 2dk3 n ARG 65 N 3.11 2.74 -1.76 -0.62 1.74 -1.26 -3.61 116.66 117.00 2dk3 n ARG 65 Ca -0.18 1.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.89 2dk3 n ARG 65 Cb 0.53 -2.91 0.07 0.00 -1.02 0.00 0.00 32.46 29.13 2dk3 n ARG 65 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2dk3 n MET 66 N 6.43 1.32 0.00 5.56 2.81 -1.06 -0.78 117.12 131.40 2dk3 n MET 66 Ca 0.19 -2.99 0.00 0.00 -1.81 0.00 0.00 57.70 53.09 2dk3 n MET 66 Cb 0.37 -1.10 0.00 0.00 -0.71 0.00 0.00 33.22 31.79 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 -0.30 1.24 0.35 3.03 0.00 -1.19 -4.83 105.19 103.48 2dk3 n GLY 67 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.01 -1.33 4.61 0.00 -1.18 -0.55 120.51 122.06 2dk3 n ALA 68 Ca 0.00 0.96 0.05 0.00 0.00 0.00 0.00 53.44 54.45 2dk3 n ALA 68 Cb 0.00 -0.48 0.19 0.00 0.00 0.00 0.00 19.45 19.17 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 -5.42 1.75 -2.32 0.00 1.02 -1.26 -4.94 120.64 109.46 2dk3 n GLU 69 Ca 0.11 -3.00 -0.12 0.00 -0.02 0.00 0.00 57.16 54.13 2dk3 n GLU 69 Cb 0.40 -1.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 -1.13 -0.09 2.95 0.62 0.00 0.29 -5.01 105.19 102.83 2dk3 n GLY 70 Ca 0.22 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.71 1.85 -0.65 1.61 -0.14 -1.26 -4.92 119.74 111.52 2dk3 s LYS 71 Ca 0.04 -0.51 -0.20 0.00 -1.36 0.00 0.00 55.97 53.94 2dk3 s LYS 71 Cb -0.02 -1.99 0.10 0.00 -1.68 0.00 0.00 37.83 34.25 2dk3 s LYS 71 CO 0.05 -0.32 0.81 -0.06 -0.76 0.00 0.00 175.35 175.07 2dk3 s PHE 72 N 1.57 2.95 0.05 3.18 0.08 -1.26 -3.17 117.98 121.38 2dk3 s PHE 72 Ca 0.03 -0.93 -0.13 0.00 0.12 0.00 0.00 56.93 56.02 2dk3 s PHE 72 Cb -0.14 -4.11 -0.32 0.00 -0.57 0.00 0.00 43.02 37.89 2dk3 s PHE 72 CO -0.09 -1.40 1.07 -0.44 -0.10 0.00 0.00 175.22 174.26 2dk3 h ASP 73 N 9.20 0.76 -2.51 1.36 5.19 -1.16 -2.85 116.42 126.40 2dk3 h ASP 73 Ca -0.24 -0.77 -0.56 0.00 -0.62 0.00 0.00 57.03 54.84 2dk3 h ASP 73 Cb 1.07 -0.24 -0.08 0.00 0.18 0.00 0.00 39.33 40.26 2dk3 h ASP 73 CO 1.11 1.60 -0.59 -0.76 -3.12 0.00 0.00 179.24 177.48 2dk3 s LEU 74 N -7.56 3.59 0.13 1.55 1.43 -1.26 -0.42 118.68 116.14 2dk3 s LEU 74 Ca -0.08 -0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 52.57 2dk3 s LEU 74 Cb 0.05 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 44.12 2dk3 s LEU 74 CO 0.93 0.03 0.35 -1.59 0.23 0.00 0.00 176.35 176.30 2dk3 s LYS 75 N -3.38 1.05 0.50 1.70 -2.85 -0.64 -4.70 119.74 111.43 2dk3 s LYS 75 Ca 0.31 -0.83 -0.22 0.00 -1.00 0.00 0.00 55.97 54.23 2dk3 s LYS 75 Cb -0.09 0.44 -0.08 0.00 -2.06 0.00 0.00 37.83 36.03 2dk3 s LYS 75 CO 0.22 -0.40 0.93 1.28 0.10 0.00 0.00 175.35 177.48 2dk3 n LEU 76 N -0.20 2.70 -4.80 2.77 4.77 -1.26 -0.17 117.00 120.82 2dk3 n LEU 76 Ca -0.14 0.92 -0.32 0.00 -0.03 0.00 0.00 56.01 56.44 2dk3 n LEU 76 Cb 0.63 -1.34 0.03 0.00 -2.33 0.00 0.00 43.42 40.41 2dk3 n LEU 76 CO 0.19 -1.81 0.72 0.00 -1.33 0.00 0.00 177.39 175.16 2dk3 s ALA 77 N -1.41 2.65 -1.02 -1.18 0.00 -1.21 -4.43 121.76 115.15 2dk3 s ALA 77 Ca 0.68 0.33 -0.24 0.00 0.00 0.00 0.00 51.96 52.73 2dk3 s ALA 77 Cb -0.50 -3.23 -0.06 0.00 0.00 0.00 0.00 23.12 19.33 2dk3 s ALA 77 CO 0.53 -1.06 1.94 -1.25 0.00 0.00 0.00 175.76 175.93 2dk3 s PRO 78 N -4.38 2.54 0.00 0.00 0.04 -1.26 -2.66 135.00 129.28 2dk3 s PRO 78 Ca 0.63 -0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.01 2dk3 s PRO 78 Cb -0.16 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.24 2dk3 s PRO 78 CO 0.43 -3.62 0.00 0.41 0.04 0.00 0.00 177.00 174.27 2dk3 n GLY 79 N 6.43 1.56 3.15 0.56 0.00 -1.26 -5.14 105.19 110.49 2dk3 n GLY 79 Ca 0.42 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 2.09 -0.03 1.61 6.14 -1.09 -5.13 117.35 118.94 2dk3 s TYR 80 Ca 0.00 -0.80 0.02 0.00 0.64 0.00 0.00 57.07 56.93 2dk3 s TYR 80 Cb 0.00 -1.43 -0.03 0.00 0.42 0.00 0.00 41.96 40.92 2dk3 s TYR 80 CO 0.00 -0.33 -0.08 0.45 0.64 0.00 0.00 175.55 176.23 2dk3 s SER 81 N 0.39 4.57 0.88 4.32 0.15 -1.26 -4.84 113.70 117.91 2dk3 s SER 81 Ca -0.15 -0.10 -0.15 0.00 0.70 0.00 0.00 55.95 56.24 2dk3 s SER 81 Cb -0.16 -1.09 -0.06 0.00 -1.71 0.00 0.00 66.02 63.00 2dk3 s SER 81 CO 0.06 0.32 -0.03 0.61 1.20 0.00 0.00 173.24 175.40 2dk3 n GLY 82 N 1.88 -2.93 3.56 9.45 0.00 -1.26 -4.75 105.19 111.14 2dk3 n GLY 82 Ca -0.17 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.65 2.55 -0.28 1.61 0.04 -1.26 -4.92 135.00 130.09 2dk3 s PRO 83 Ca 0.53 -0.33 -0.28 0.00 0.04 0.00 0.00 61.00 60.96 2dk3 s PRO 83 Cb -0.26 -5.07 -0.03 0.00 0.04 0.00 0.00 34.50 29.18 2dk3 s PRO 83 CO 0.71 -3.40 1.88 0.45 0.04 0.00 0.00 177.00 176.67 2dk3 s SER 84 N 7.96 5.86 -0.16 6.66 0.15 -1.26 -4.97 113.70 127.95 2dk3 s SER 84 Ca 0.70 1.52 -0.01 0.00 0.70 0.00 0.00 55.95 58.86 2dk3 s SER 84 Cb -0.06 -2.52 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 2dk3 s SER 84 CO -0.00 -1.70 -0.11 -0.55 1.20 0.00 0.00 173.24 172.09 2dk3 s SER 85 N 6.35 4.09 0.00 5.45 0.15 -1.26 -5.29 113.70 123.19 2dk3 s SER 85 Ca 0.84 -0.35 0.03 0.00 0.70 0.00 0.00 55.95 57.17 2dk3 s SER 85 Cb -0.26 -1.65 0.17 0.00 -1.71 0.00 0.00 66.02 62.58 2dk3 s SER 85 CO 0.34 0.11 0.66 0.61 1.20 0.00 0.00 173.24 176.16