#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k06 h SER 2 N 0.00 0.80 -2.46 7.83 0.87 -2.06 -3.40 113.55 115.12 2k06 h SER 2 Ca 0.00 0.05 -0.53 0.00 -1.23 0.00 0.00 61.79 60.09 2k06 h SER 2 Cb 0.00 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.82 2k06 h SER 2 CO 0.00 0.40 -0.50 -1.61 -0.53 0.00 0.00 176.83 174.59 2k06 s GLU 3 N -5.83 3.19 -0.75 2.24 2.02 -1.26 -4.67 118.70 113.65 2k06 s GLU 3 Ca -0.11 -0.79 -0.01 0.00 0.02 0.00 0.00 54.97 54.07 2k06 s GLU 3 Cb 0.23 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.67 2k06 s GLU 3 CO 0.80 0.47 0.67 0.00 0.02 0.00 0.00 175.26 177.22 2k06 n ALA 4 N -0.78 -2.60 -1.78 5.21 0.00 -1.26 -4.93 120.51 114.37 2k06 n ALA 4 Ca -0.08 -0.02 -0.35 0.00 0.00 0.00 0.00 53.44 52.99 2k06 n ALA 4 Cb 0.56 -1.40 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 2k06 n ALA 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2k06 s PRO 5 N -3.48 3.42 -0.02 0.00 0.04 -1.26 -4.89 135.00 128.81 2k06 s PRO 5 Ca 0.02 1.60 0.05 0.00 0.04 0.00 0.00 61.00 62.71 2k06 s PRO 5 Cb -0.00 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 2k06 s PRO 5 CO 0.79 -0.79 -0.18 0.21 0.04 0.00 0.00 177.00 177.07 2k06 s LYS 6 N -3.25 1.52 0.18 4.56 2.20 -1.26 -5.00 119.74 118.69 2k06 s LYS 6 Ca 0.72 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 55.70 2k06 s LYS 6 Cb -0.23 -1.43 0.00 0.00 -1.51 0.00 0.00 37.83 34.65 2k06 s LYS 6 CO 0.27 0.35 0.00 1.63 -0.36 0.00 0.00 175.35 177.24 2k06 n LYS 7 N 2.76 -5.39 -4.40 4.03 5.02 -1.26 -5.02 118.16 113.89 2k06 n LYS 7 Ca -0.16 3.85 -0.25 0.00 -2.02 0.00 0.00 58.31 59.73 2k06 n LYS 7 Cb 0.54 -4.20 -0.10 0.00 -0.02 0.00 0.00 35.03 31.25 2k06 n LYS 7 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2k06 s ARG 8 N -0.71 1.83 -0.15 1.97 0.52 -1.24 -4.96 118.95 116.21 2k06 s ARG 8 Ca 0.00 -1.59 -0.03 0.00 -0.52 0.00 0.00 55.73 53.59 2k06 s ARG 8 Cb 0.00 -1.92 -0.03 0.00 0.52 0.00 0.00 34.95 33.53 2k06 s ARG 8 CO 0.00 0.36 -0.05 -1.58 0.02 0.00 0.00 175.30 174.06 2k06 s TRP 9 N -2.22 3.00 0.03 -0.53 0.52 -1.26 -1.03 118.94 117.46 2k06 s TRP 9 Ca 0.28 -0.30 0.08 0.00 0.02 0.00 0.00 56.10 56.18 2k06 s TRP 9 Cb -0.06 -1.93 -0.03 0.00 -1.15 0.00 0.00 33.47 30.30 2k06 s TRP 9 CO 0.15 -0.02 -0.23 0.71 0.02 0.00 0.00 176.95 177.58 2k06 s TYR 10 N 0.28 2.04 -0.20 -1.98 2.02 -1.01 -3.41 117.35 115.09 2k06 s TYR 10 Ca -0.04 -0.39 -0.10 0.00 -0.37 0.00 0.00 57.07 56.17 2k06 s TYR 10 Cb -0.14 -1.24 -0.05 0.00 -0.40 0.00 0.00 41.96 40.13 2k06 s TYR 10 CO 0.03 0.08 0.14 0.08 -1.57 0.00 0.00 175.55 174.32 2k06 s VAL 11 N -0.75 5.40 -0.14 0.71 1.01 -1.26 -0.01 120.40 125.36 2k06 s VAL 11 Ca 0.09 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.26 2k06 s VAL 11 Cb -0.09 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 2k06 s VAL 11 CO 0.01 0.44 -0.05 -0.69 0.00 0.00 0.00 175.10 174.81 2k06 s VAL 12 N 0.37 3.77 0.45 2.92 1.01 0.40 -2.61 120.40 126.71 2k06 s VAL 12 Ca 0.09 -0.41 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 2k06 s VAL 12 Cb -0.11 -2.63 -0.10 0.00 0.00 0.00 0.00 36.38 33.53 2k06 s VAL 12 CO -0.02 0.51 0.97 -1.10 0.00 0.00 0.00 175.10 175.47 2k06 s GLN 13 N 0.20 4.12 0.00 2.72 -0.21 -0.66 -2.14 119.66 123.69 2k06 s GLN 13 Ca -0.03 1.18 -0.19 0.00 0.02 0.00 0.00 55.36 56.34 2k06 s GLN 13 Cb -0.14 -2.16 0.04 0.00 1.00 0.00 0.00 33.01 31.75 2k06 s GLN 13 CO 0.03 -0.13 0.41 0.00 -2.12 0.00 0.00 175.29 173.47 2k06 s ALA 14 N -2.14 -1.02 0.41 6.09 0.00 0.06 -3.12 121.76 122.05 2k06 s ALA 14 Ca 0.63 0.48 -0.25 0.00 0.00 0.00 0.00 51.96 52.82 2k06 s ALA 14 Cb -0.11 0.16 -0.08 0.00 0.00 0.00 0.00 23.12 23.09 2k06 s ALA 14 CO 0.15 -0.35 1.22 -0.06 0.00 0.00 0.00 175.76 176.72 2k06 s PHE 15 N -1.73 2.94 0.45 0.00 0.08 -1.25 -4.41 117.98 114.07 2k06 s PHE 15 Ca -0.10 1.50 -0.25 0.00 0.12 0.00 0.00 56.93 58.20 2k06 s PHE 15 Cb -0.03 -3.51 -0.08 0.00 -0.57 0.00 0.00 43.02 38.83 2k06 s PHE 15 CO 0.03 -1.66 1.40 0.43 -0.10 0.00 0.00 175.22 175.32 2k06 n SER 16 N 0.03 3.16 0.00 1.36 7.64 -1.26 -1.81 113.62 122.74 2k06 n SER 16 Ca 0.04 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2k06 n SER 16 Cb 0.45 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 2k06 n SER 16 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k06 n GLY 17 N 0.63 2.68 0.87 0.23 0.00 -1.26 -4.69 105.19 103.65 2k06 n GLY 17 Ca 0.06 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.03 2k06 n GLY 17 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k06 n PHE 18 N 0.00 0.54 -0.13 1.61 3.72 -0.75 -4.51 117.46 117.94 2k06 n PHE 18 Ca 0.00 -0.40 0.19 0.00 -0.05 0.00 0.00 57.45 57.19 2k06 n PHE 18 Cb 0.00 -0.01 0.59 0.00 -0.94 0.00 0.00 39.48 39.11 2k06 n PHE 18 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2k06 h GLU 19 N 2.99 0.24 0.00 -1.08 4.81 -1.79 0.89 114.58 120.64 2k06 h GLU 19 Ca 0.00 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2k06 h GLU 19 Cb 0.80 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 2k06 h GLU 19 CO 0.00 0.16 -0.31 0.78 -0.73 0.00 0.00 179.01 178.91 2k06 h GLY 20 N 0.24 0.00 1.30 1.92 0.00 -1.91 -3.28 103.07 101.34 2k06 h GLY 20 Ca 0.36 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.74 2k06 h GLY 20 CO -0.08 0.00 0.33 -0.09 0.00 0.00 0.00 176.54 176.71 2k06 h ARG 21 N -1.00 0.44 -0.93 4.80 2.43 -1.75 -1.06 114.38 117.30 2k06 h ARG 21 Ca -0.06 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.14 2k06 h ARG 21 Cb 0.62 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.01 2k06 h ARG 21 CO -0.04 0.29 0.59 0.28 -1.51 0.00 0.00 179.97 179.59 2k06 h VAL 22 N 0.45 1.10 -0.47 0.20 2.07 0.68 -1.08 116.25 119.20 2k06 h VAL 22 Ca 0.22 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 2k06 h VAL 22 Cb 0.28 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 2k06 h VAL 22 CO -0.06 0.20 0.02 0.00 0.02 0.00 0.00 177.57 177.76 2k06 h ALA 23 N 1.41 1.14 -0.67 1.67 0.00 -1.25 -2.44 119.26 119.12 2k06 h ALA 23 Ca 0.39 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2k06 h ALA 23 Cb 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2k06 h ALA 23 CO -0.15 0.55 0.35 1.15 0.00 0.00 0.00 179.25 181.15 2k06 h THR 24 N 0.73 1.21 -0.58 0.00 2.02 -1.05 -1.74 112.91 113.49 2k06 h THR 24 Ca 0.15 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 2k06 h THR 24 Cb 0.42 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 2k06 h THR 24 CO 0.02 0.23 0.36 0.28 0.37 0.00 0.00 175.52 176.78 2k06 h SER 25 N 0.93 0.68 -0.94 4.18 0.02 -0.93 -1.80 113.55 115.69 2k06 h SER 25 Ca 0.24 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2k06 h SER 25 Cb 0.05 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.37 2k06 h SER 25 CO -0.04 0.52 0.61 -0.07 -1.14 0.00 0.00 176.83 176.71 2k06 h LEU 26 N 0.80 1.10 -0.52 5.07 3.38 -1.25 -1.53 115.31 122.35 2k06 h LEU 26 Ca 0.21 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.17 2k06 h LEU 26 Cb -0.05 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 2k06 h LEU 26 CO -0.04 0.81 0.30 -0.09 0.09 0.00 0.00 178.44 179.51 2k06 h ARG 27 N 1.29 0.58 0.74 1.13 2.43 -1.26 0.55 114.38 119.84 2k06 h ARG 27 Ca 0.34 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.44 2k06 h ARG 27 Cb -0.12 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.31 2k06 h ARG 27 CO -0.07 0.38 -0.36 0.93 -1.51 0.00 0.00 179.97 179.34 2k06 h GLU 28 N 0.59 -0.96 -0.29 0.20 5.08 -1.30 0.46 114.58 118.36 2k06 h GLU 28 Ca 0.21 0.07 0.06 0.00 -1.00 0.00 0.00 59.36 58.70 2k06 h GLU 28 Cb 0.05 0.22 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 2k06 h GLU 28 CO -0.11 -0.64 -0.12 0.45 -1.00 0.00 0.00 179.01 177.59 2k06 h HIS 29 N -1.19 -0.28 0.29 4.33 3.86 -1.21 0.36 115.15 121.32 2k06 h HIS 29 Ca -0.10 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 2k06 h HIS 29 Cb 0.77 0.17 -0.01 0.00 1.06 0.00 0.00 27.41 29.39 2k06 h HIS 29 CO 0.01 -0.19 -0.22 0.82 0.86 0.00 0.00 177.93 179.22 2k06 h ILE 30 N -0.07 0.53 -0.65 2.45 2.04 0.12 0.42 117.51 122.35 2k06 h ILE 30 Ca 0.15 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.11 2k06 h ILE 30 Cb 0.29 0.53 -0.07 0.00 -0.74 0.00 0.00 36.82 36.83 2k06 h ILE 30 CO -0.34 0.00 0.26 0.50 0.00 0.00 0.00 178.15 178.58 2k06 h LYS 31 N -0.52 0.44 0.47 2.37 3.64 0.49 1.52 116.57 124.98 2k06 h LYS 31 Ca -0.02 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2k06 h LYS 31 Cb 0.45 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2k06 h LYS 31 CO -0.00 0.29 -0.23 -0.07 -2.27 0.00 0.00 179.45 177.17 2k06 h LEU 32 N 0.46 -0.54 -0.10 5.20 3.38 0.21 -2.33 115.31 121.59 2k06 h LEU 32 Ca 0.33 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2k06 h LEU 32 Cb 0.40 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2k06 h LEU 32 CO -0.31 -0.23 0.00 1.41 0.09 0.00 0.00 178.44 179.40 2k06 n HIS 33 N -5.28 0.09 -3.38 1.13 8.25 0.14 -4.86 115.22 111.31 2k06 n HIS 33 Ca -0.11 0.04 -0.18 0.00 -0.26 0.00 0.00 57.72 57.21 2k06 n HIS 33 Cb 0.30 -0.56 0.08 0.00 1.12 0.00 0.00 29.99 30.93 2k06 n HIS 33 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2k06 n ASN 34 N -1.59 -3.39 -0.95 0.41 3.02 0.51 -4.89 115.26 108.38 2k06 n ASN 34 Ca 0.03 -0.55 0.11 0.00 -0.03 0.00 0.00 54.58 54.14 2k06 n ASN 34 Cb 0.15 -4.74 0.27 0.00 -0.61 0.00 0.00 39.78 34.85 2k06 n ASN 34 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2k06 n MET 35 N -4.15 2.24 0.18 3.52 2.81 -0.56 -4.30 117.12 116.87 2k06 n MET 35 Ca -0.17 -1.88 0.17 0.00 -1.81 0.00 0.00 57.70 54.01 2k06 n MET 35 Cb 0.62 -1.46 0.68 0.00 -0.71 0.00 0.00 33.22 32.35 2k06 n MET 35 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2k06 h GLU 36 N 3.59 0.00 -0.73 0.03 5.08 -1.85 0.30 114.58 121.00 2k06 h GLU 36 Ca 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2k06 h GLU 36 Cb 0.80 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 2k06 h GLU 36 CO 0.00 0.00 0.28 -0.44 -1.00 0.00 0.00 179.01 177.85 2k06 h ASP 37 N 0.00 1.02 0.37 1.42 3.32 -1.97 -3.11 116.42 117.46 2k06 h ASP 37 Ca 0.13 -0.18 -0.31 0.00 0.02 0.00 0.00 57.03 56.68 2k06 h ASP 37 Cb 1.16 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 40.40 2k06 h ASP 37 CO -0.00 0.92 -1.84 0.00 -1.72 0.00 0.00 179.24 176.60 2k06 n LEU 38 N -4.33 1.16 -4.74 1.55 -0.00 0.86 -4.87 117.00 106.62 2k06 n LEU 38 Ca 0.06 0.33 -0.41 0.00 -0.00 0.00 0.00 56.01 55.99 2k06 n LEU 38 Cb 0.19 -0.05 -0.04 0.00 -0.00 0.00 0.00 43.42 43.51 2k06 n LEU 38 CO 0.40 0.49 0.79 -0.36 -0.00 0.00 0.00 177.39 178.72 2k06 s PHE 39 N -2.58 3.60 0.00 1.47 0.08 -0.08 -3.12 117.98 117.35 2k06 s PHE 39 Ca -0.09 1.63 0.00 0.00 0.12 0.00 0.00 56.93 58.59 2k06 s PHE 39 Cb 0.08 -3.27 0.00 0.00 -0.57 0.00 0.00 43.02 39.25 2k06 s PHE 39 CO 0.81 -0.58 0.00 0.41 -0.10 0.00 0.00 175.22 175.76 2k06 n GLY 40 N 1.83 0.20 3.34 4.36 0.00 -0.95 -4.74 105.19 109.24 2k06 n GLY 40 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 2k06 n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k06 s GLU 41 N -0.01 1.35 0.25 1.61 8.01 -1.26 -4.98 118.70 123.68 2k06 s GLU 41 Ca 0.00 -1.66 0.10 0.00 0.01 0.00 0.00 54.97 53.42 2k06 s GLU 41 Cb 0.00 -0.80 -0.05 0.00 -4.31 0.00 0.00 34.13 28.97 2k06 s GLU 41 CO 0.00 -0.01 -0.16 0.08 0.01 0.00 0.00 175.26 175.18 2k06 s VAL 42 N -3.26 2.09 -0.04 2.63 1.01 -1.26 -0.12 120.40 121.45 2k06 s VAL 42 Ca 0.26 -2.29 0.06 0.00 0.00 0.00 0.00 61.98 60.01 2k06 s VAL 42 Cb 0.04 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 2k06 s VAL 42 CO 0.08 -0.46 -0.22 -0.04 0.00 0.00 0.00 175.10 174.46 2k06 s MET 43 N -3.59 2.39 -0.50 2.72 -1.94 0.69 -4.94 119.30 114.12 2k06 s MET 43 Ca 0.27 -0.84 0.06 0.00 -1.71 0.00 0.00 55.69 53.47 2k06 s MET 43 Cb -0.02 -2.20 0.21 0.00 2.01 0.00 0.00 34.83 34.84 2k06 s MET 43 CO 0.11 0.52 0.51 0.28 -0.01 0.00 0.00 175.02 176.44 2k06 n VAL 44 N 2.57 0.20 -0.71 -6.03 0.31 -1.26 -3.11 118.33 110.29 2k06 n VAL 44 Ca -0.17 -4.25 -0.22 0.00 -0.01 0.00 0.00 64.34 59.69 2k06 n VAL 44 Cb 0.52 -1.94 -0.02 0.00 -0.91 0.00 0.00 33.84 31.49 2k06 n VAL 44 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2k06 n PRO 45 N 1.80 1.85 -4.09 5.55 -0.04 -1.26 -4.74 135.00 134.07 2k06 n PRO 45 Ca 0.25 -1.41 -0.14 0.00 -0.04 0.00 0.00 63.50 62.16 2k06 n PRO 45 Cb 0.46 -2.46 -0.11 0.00 -0.04 0.00 0.00 33.50 31.35 2k06 n PRO 45 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2k06 s THR 46 N 3.71 0.65 0.50 0.52 -1.32 -1.26 -4.98 115.64 113.47 2k06 s THR 46 Ca 0.38 -1.16 0.22 0.00 -1.21 0.00 0.00 61.69 59.92 2k06 s THR 46 Cb 0.10 -0.74 0.28 0.00 -1.51 0.00 0.00 72.50 70.63 2k06 s THR 46 CO -0.01 -0.37 2.12 -0.33 -2.21 0.00 0.00 174.62 173.81 2k06 h GLU 47 N 4.39 0.00 -1.01 7.08 5.08 -1.90 -2.24 114.58 125.99 2k06 h GLU 47 Ca -0.37 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.22 2k06 h GLU 47 Cb 1.20 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.34 2k06 h GLU 47 CO 0.42 0.08 0.62 1.49 -1.00 0.00 0.00 179.01 180.61 2k06 h GLU 48 N 0.00 0.57 -1.01 2.33 4.81 -1.95 0.37 114.58 119.71 2k06 h GLU 48 Ca -0.00 -0.03 0.25 0.00 -0.13 0.00 0.00 59.36 59.44 2k06 h GLU 48 Cb 0.16 -0.13 -0.08 0.00 0.63 0.00 0.00 28.75 29.33 2k06 h GLU 48 CO 0.01 0.38 0.65 -0.24 -0.73 0.00 0.00 179.01 179.08 2k06 h VAL 49 N 0.59 0.57 -3.82 0.32 3.04 -1.69 -3.38 116.25 111.87 2k06 h VAL 49 Ca 0.59 -0.14 -0.68 0.00 -1.01 0.00 0.00 66.70 65.46 2k06 h VAL 49 Cb 1.17 0.14 -0.20 0.00 -2.01 0.00 0.00 31.29 30.39 2k06 h VAL 49 CO -0.37 0.07 -0.74 -0.69 -1.01 0.00 0.00 177.57 174.84 2k06 s VAL 50 N -5.46 3.34 -0.12 1.51 1.01 0.13 -5.11 120.40 115.70 2k06 s VAL 50 Ca -0.08 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 2k06 s VAL 50 Cb 0.24 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 2k06 s VAL 50 CO 0.79 0.51 0.17 -0.70 0.00 0.00 0.00 175.10 175.87 2k06 s GLU 51 N -1.03 3.63 -0.25 2.72 2.12 -1.26 -4.90 118.70 119.73 2k06 s GLU 51 Ca 0.14 -0.08 -0.07 0.00 0.36 0.00 0.00 54.97 55.32 2k06 s GLU 51 Cb -0.11 -3.24 0.12 0.00 0.26 0.00 0.00 34.13 31.17 2k06 s GLU 51 CO 0.03 0.68 0.51 0.96 -0.54 0.00 0.00 175.26 176.90 2k06 s ILE 52 N -0.77 -0.80 0.38 -3.70 -4.36 -1.26 -5.13 121.20 105.56 2k06 s ILE 52 Ca 0.15 0.06 -0.24 0.00 -0.26 0.00 0.00 60.65 60.36 2k06 s ILE 52 Cb -0.12 -0.83 -0.13 0.00 1.25 0.00 0.00 42.46 42.63 2k06 s ILE 52 CO 0.04 0.01 0.68 0.54 0.24 0.00 0.00 174.94 176.46 2k06 n ARG 53 N 5.41 0.75 -1.54 0.37 1.74 -1.26 -4.66 116.66 117.46 2k06 n ARG 53 Ca -0.08 0.27 -0.37 0.00 -0.77 0.00 0.00 57.85 56.90 2k06 n ARG 53 Cb 0.50 -1.58 -0.05 0.00 -1.02 0.00 0.00 32.46 30.30 2k06 n ARG 53 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k06 n GLY 54 N 1.63 0.11 0.21 -0.13 0.00 -1.26 -4.76 105.19 101.00 2k06 n GLY 54 Ca 0.12 0.73 0.04 0.00 0.00 0.00 0.00 46.02 46.91 2k06 n GLY 54 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k06 h GLY 55 N 18.36 0.02 -5.20 -0.02 0.00 -2.03 -3.46 103.07 110.74 2k06 h GLY 55 Ca -0.22 -0.01 -0.33 0.00 0.00 0.00 0.00 47.33 46.76 2k06 h GLY 55 CO 1.19 0.01 -0.61 -1.06 0.00 0.00 0.00 176.54 176.07 2k06 n GLN 56 N -4.26 -6.70 -2.55 4.80 1.13 -1.26 -4.96 117.38 103.58 2k06 n GLN 56 Ca -0.02 0.72 -0.35 0.00 -1.94 0.00 0.00 57.00 55.41 2k06 n GLN 56 Cb 0.29 -5.44 -0.04 0.00 0.11 0.00 0.00 30.24 25.16 2k06 n GLN 56 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2k06 s ARG 57 N -5.94 3.96 0.41 -1.09 0.52 -1.26 -4.91 118.95 110.64 2k06 s ARG 57 Ca 0.40 1.42 0.15 0.00 -0.52 0.00 0.00 55.73 57.19 2k06 s ARG 57 Cb -0.18 -2.29 1.03 0.00 0.52 0.00 0.00 34.95 34.04 2k06 s ARG 57 CO 0.63 -0.30 1.89 0.00 0.02 0.00 0.00 175.30 177.54 2k06 h ARG 58 N 1.96 0.44 -6.15 3.54 3.08 -2.05 -3.39 114.38 111.81 2k06 h ARG 58 Ca -0.49 -0.03 -0.56 0.00 0.07 0.00 0.00 59.98 58.97 2k06 h ARG 58 Cb 1.22 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 31.12 2k06 h ARG 58 CO 0.60 0.29 0.01 0.21 -1.07 0.00 0.00 179.97 180.02 2k06 s LYS 59 N -5.45 4.33 0.15 0.04 2.20 -1.26 -5.07 119.74 114.68 2k06 s LYS 59 Ca -0.08 0.79 0.08 0.00 -0.36 0.00 0.00 55.97 56.40 2k06 s LYS 59 Cb 0.22 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 2k06 s LYS 59 CO 0.77 0.41 -0.07 -1.54 -0.36 0.00 0.00 175.35 174.56 2k06 s SER 60 N -0.35 4.46 0.14 1.43 1.04 -1.26 -5.02 113.70 114.13 2k06 s SER 60 Ca 0.32 -0.45 0.05 0.00 0.48 0.00 0.00 55.95 56.34 2k06 s SER 60 Cb -0.19 -0.85 -0.04 0.00 0.10 0.00 0.00 66.02 65.04 2k06 s SER 60 CO 0.19 0.13 0.10 -1.61 0.98 0.00 0.00 173.24 173.02 2k06 s GLU 61 N -2.63 2.82 0.09 4.02 2.02 -1.26 -5.07 118.70 118.69 2k06 s GLU 61 Ca 0.24 -0.84 0.08 0.00 0.02 0.00 0.00 54.97 54.47 2k06 s GLU 61 Cb -0.10 -2.63 -0.03 0.00 0.10 0.00 0.00 34.13 31.47 2k06 s GLU 61 CO 0.16 0.51 -0.19 1.03 0.02 0.00 0.00 175.26 176.78 2k06 s ARG 62 N -2.84 1.08 -0.10 1.61 0.52 -1.26 -5.11 118.95 112.85 2k06 s ARG 62 Ca 0.30 -1.10 -0.27 0.00 -0.52 0.00 0.00 55.73 54.14 2k06 s ARG 62 Cb -0.11 -1.28 -0.02 0.00 0.52 0.00 0.00 34.95 34.06 2k06 s ARG 62 CO 0.22 0.30 0.86 0.15 0.02 0.00 0.00 175.30 176.85 2k06 s LYS 63 N -1.82 4.41 0.13 3.54 1.02 -1.26 -4.94 119.74 120.82 2k06 s LYS 63 Ca 0.05 1.14 -0.14 0.00 0.02 0.00 0.00 55.97 57.03 2k06 s LYS 63 Cb -0.10 -3.51 -0.01 0.00 -0.52 0.00 0.00 37.83 33.69 2k06 s LYS 63 CO 0.04 -0.17 1.57 0.74 -0.92 0.00 0.00 175.35 176.61 2k06 h PHE 64 N 7.04 0.83 -2.38 3.18 0.04 -1.96 -3.38 116.94 120.31 2k06 h PHE 64 Ca -0.35 -0.15 -0.59 0.00 2.80 0.00 0.00 57.97 59.68 2k06 h PHE 64 Cb 1.17 -0.22 -0.38 0.00 2.20 0.00 0.00 35.95 38.72 2k06 h PHE 64 CO 0.69 0.83 -0.97 -0.59 -0.60 0.00 0.00 178.31 177.67 2k06 s PHE 65 N -4.98 1.09 0.45 -0.55 -0.71 -1.26 -5.12 117.98 106.90 2k06 s PHE 65 Ca -0.13 -2.30 -0.23 0.00 -1.04 0.00 0.00 56.93 53.23 2k06 s PHE 65 Cb 0.10 -0.93 -0.08 0.00 -1.21 0.00 0.00 43.02 40.91 2k06 s PHE 65 CO 0.80 -0.83 1.16 -1.25 -1.34 0.00 0.00 175.22 173.77 2k06 s PRO 66 N 0.10 3.80 -0.52 1.99 0.04 -1.26 -3.29 135.00 135.86 2k06 s PRO 66 Ca 0.32 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.13 2k06 s PRO 66 Cb 0.02 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 32.13 2k06 s PRO 66 CO -0.19 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 176.75 2k06 n GLY 67 N 0.45 0.50 3.28 0.56 0.00 -1.26 -4.79 105.19 103.93 2k06 n GLY 67 Ca 0.07 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 2k06 n GLY 67 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k06 s TYR 68 N -2.23 2.85 0.02 1.61 1.51 -1.21 -0.76 117.35 119.15 2k06 s TYR 68 Ca 0.00 -1.03 0.04 0.00 -1.01 0.00 0.00 57.07 55.06 2k06 s TYR 68 Cb 0.00 -1.97 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 2k06 s TYR 68 CO 0.00 -0.51 -0.11 0.08 -1.11 0.00 0.00 175.55 173.90 2k06 s VAL 69 N 1.06 0.84 -0.05 0.71 1.01 -0.91 -4.46 120.40 118.60 2k06 s VAL 69 Ca -0.00 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.23 2k06 s VAL 69 Cb -0.15 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 2k06 s VAL 69 CO -0.03 -0.01 -0.18 -0.76 0.00 0.00 0.00 175.10 174.12 2k06 s LEU 70 N -0.91 2.53 -0.09 3.92 1.02 -1.18 0.15 118.68 124.12 2k06 s LEU 70 Ca -0.00 -0.30 -0.01 0.00 0.02 0.00 0.00 54.13 53.84 2k06 s LEU 70 Cb -0.07 -1.50 0.03 0.00 0.02 0.00 0.00 46.19 44.67 2k06 s LEU 70 CO 0.01 0.31 -0.04 -0.69 0.02 0.00 0.00 176.35 175.96 2k06 s VAL 71 N -0.54 0.71 0.36 -1.59 1.01 0.99 0.25 120.40 121.59 2k06 s VAL 71 Ca 0.07 -0.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.68 2k06 s VAL 71 Cb -0.11 -0.79 -0.09 0.00 0.00 0.00 0.00 36.38 35.39 2k06 s VAL 71 CO 0.01 0.31 1.20 -1.58 0.00 0.00 0.00 175.10 175.05 2k06 s GLN 72 N 1.75 4.23 0.00 2.72 0.74 0.83 -2.41 119.66 127.53 2k06 s GLN 72 Ca 0.03 1.96 0.00 0.00 0.05 0.00 0.00 55.36 57.40 2k06 s GLN 72 Cb -0.13 -2.88 0.00 0.00 1.10 0.00 0.00 33.01 31.10 2k06 s GLN 72 CO -0.06 -0.20 0.00 -0.12 -0.55 0.00 0.00 175.29 174.36 2k06 n MET 73 N 0.47 0.00 -2.93 1.67 1.56 -0.20 -2.23 117.12 115.47 2k06 n MET 73 Ca 0.02 0.00 -0.38 0.00 -0.27 0.00 0.00 57.70 57.07 2k06 n MET 73 Cb 0.45 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.75 2k06 n MET 73 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2k06 s VAL 74 N -2.00 4.34 -0.23 1.12 0.11 -1.18 -3.71 120.40 118.85 2k06 s VAL 74 Ca 0.00 1.66 -0.29 0.00 -2.93 0.00 0.00 61.98 60.42 2k06 s VAL 74 Cb 0.00 -4.04 -0.02 0.00 -1.53 0.00 0.00 36.38 30.80 2k06 s VAL 74 CO 0.00 0.31 1.45 -0.32 -3.33 0.00 0.00 175.10 173.20 2k06 s MET 75 N -1.69 3.94 0.29 1.54 1.75 -1.26 -4.92 119.30 118.94 2k06 s MET 75 Ca 0.43 1.54 -0.00 0.00 -1.25 0.00 0.00 55.69 56.41 2k06 s MET 75 Cb -0.20 -3.93 -0.02 0.00 2.84 0.00 0.00 34.83 33.52 2k06 s MET 75 CO 0.24 -1.11 0.32 0.54 -0.65 0.00 0.00 175.02 174.37 2k06 s ASN 76 N 3.28 0.83 0.28 1.11 4.22 -1.26 -5.04 114.94 118.36 2k06 s ASN 76 Ca 0.63 -1.48 0.23 0.00 -2.14 0.00 0.00 52.86 50.11 2k06 s ASN 76 Cb -0.22 0.55 0.30 0.00 1.28 0.00 0.00 41.25 43.16 2k06 s ASN 76 CO 0.25 -1.09 1.41 0.44 -2.04 0.00 0.00 177.10 176.07 2k06 h ASP 77 N 2.27 0.00 0.24 3.54 3.32 -2.00 -3.11 116.42 120.69 2k06 h ASP 77 Ca -0.29 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 2k06 h ASP 77 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2k06 h ASP 77 CO 0.41 0.02 -0.12 0.00 -1.72 0.00 0.00 179.24 177.84 2k06 h ALA 78 N 2.17 -0.33 -0.87 3.45 0.00 -1.97 -3.24 119.26 118.47 2k06 h ALA 78 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2k06 h ALA 78 Cb 0.92 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2k06 h ALA 78 CO 0.00 -0.34 0.57 0.66 0.00 0.00 0.00 179.25 180.14 2k06 h SER 79 N -1.01 0.96 -0.89 0.00 4.64 -1.92 -1.92 113.55 113.42 2k06 h SER 79 Ca -0.03 -0.02 0.24 0.00 -0.47 0.00 0.00 61.79 61.51 2k06 h SER 79 Cb 0.42 -0.23 -0.15 0.00 -0.31 0.00 0.00 62.40 62.13 2k06 h SER 79 CO 0.05 0.68 0.12 -0.25 -0.87 0.00 0.00 176.83 176.57 2k06 h TRP 80 N 1.13 0.14 0.00 4.77 7.01 -1.62 0.95 115.95 128.34 2k06 h TRP 80 Ca 0.33 0.06 -0.12 0.00 2.11 0.00 0.00 58.89 61.27 2k06 h TRP 80 Cb -0.06 0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.06 2k06 h TRP 80 CO -0.02 -0.29 -0.57 0.45 -2.79 0.00 0.00 178.44 175.22 2k06 h HIS 81 N 0.12 0.00 -0.64 2.65 3.86 -1.42 -3.21 115.15 116.50 2k06 h HIS 81 Ca 0.54 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.70 2k06 h HIS 81 Cb 1.09 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.53 2k06 h HIS 81 CO -0.37 0.57 0.20 1.25 0.86 0.00 0.00 177.93 180.44 2k06 h LEU 82 N 0.00 0.94 -0.11 2.43 5.85 0.16 -0.48 115.31 124.10 2k06 h LEU 82 Ca -0.01 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 2k06 h LEU 82 Cb 1.42 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 2k06 h LEU 82 CO 0.07 0.90 0.00 0.58 -0.34 0.00 0.00 178.44 179.66 2k06 h VAL 83 N 0.93 1.24 -0.87 1.05 2.07 -1.08 -2.36 116.25 117.23 2k06 h VAL 83 Ca 0.21 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.97 2k06 h VAL 83 Cb 0.30 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 2k06 h VAL 83 CO -0.01 0.22 0.57 -0.09 0.02 0.00 0.00 177.57 178.29 2k06 h ARG 84 N -0.07 1.12 0.00 1.57 2.43 -1.53 -0.70 114.38 117.19 2k06 h ARG 84 Ca 0.03 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2k06 h ARG 84 Cb 0.34 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2k06 h ARG 84 CO 0.00 0.74 -0.08 0.66 -1.51 0.00 0.00 179.97 179.79 2k06 h SER 85 N 1.15 0.00 -2.83 -3.80 4.64 -0.93 -3.41 113.55 108.37 2k06 h SER 85 Ca 0.33 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.11 2k06 h SER 85 Cb -0.09 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.01 2k06 h SER 85 CO -0.08 0.08 0.89 -0.69 -0.87 0.00 0.00 176.83 176.15 2k06 s VAL 86 N -4.67 3.33 0.85 0.95 1.01 -0.27 -4.99 120.40 116.61 2k06 s VAL 86 Ca -0.04 0.80 -0.11 0.00 0.00 0.00 0.00 61.98 62.62 2k06 s VAL 86 Cb 0.15 -3.51 0.10 0.00 0.00 0.00 0.00 36.38 33.12 2k06 s VAL 86 CO 0.63 0.01 1.09 -2.16 0.00 0.00 0.00 175.10 174.67 2k06 s PRO 87 N 2.25 1.65 -1.19 2.72 0.04 -1.26 -3.97 135.00 135.24 2k06 s PRO 87 Ca 0.68 0.91 -0.04 0.00 0.04 0.00 0.00 61.00 62.59 2k06 s PRO 87 Cb -0.36 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2k06 s PRO 87 CO 0.29 -1.99 1.02 0.54 0.04 0.00 0.00 177.00 176.90 2k06 n ARG 88 N -3.73 -6.80 -3.86 4.56 1.74 -1.26 -4.89 116.66 102.41 2k06 n ARG 88 Ca 0.08 0.77 -0.26 0.00 -0.77 0.00 0.00 57.85 57.67 2k06 n ARG 88 Cb 0.55 -5.62 -0.17 0.00 -1.02 0.00 0.00 32.46 26.20 2k06 n ARG 88 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2k06 s VAL 89 N -3.31 0.85 0.10 1.55 1.01 -1.25 -3.85 120.40 115.49 2k06 s VAL 89 Ca 0.29 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 61.88 2k06 s VAL 89 Cb -0.13 -0.95 -0.10 0.00 0.00 0.00 0.00 36.38 35.20 2k06 s VAL 89 CO 0.67 0.28 1.39 0.24 0.00 0.00 0.00 175.10 177.69 2k06 h MET 90 N 8.21 0.71 0.00 2.72 2.86 -1.87 -3.48 114.93 124.08 2k06 h MET 90 Ca -0.26 -0.42 0.00 0.00 -2.06 0.00 0.00 59.70 56.97 2k06 h MET 90 Cb 1.13 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.82 2k06 h MET 90 CO 0.37 1.04 0.00 0.41 1.06 0.00 0.00 176.91 179.78 2k06 n GLY 91 N 0.28 -0.71 3.92 8.32 0.00 -1.26 -5.02 105.19 110.72 2k06 n GLY 91 Ca -0.04 -1.05 -0.20 0.00 0.00 0.00 0.00 46.02 44.72 2k06 n GLY 91 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k06 s PHE 92 N -3.00 2.56 -0.09 1.61 0.08 -1.26 -1.65 117.98 116.23 2k06 s PHE 92 Ca 0.00 -0.51 0.03 0.00 0.12 0.00 0.00 56.93 56.57 2k06 s PHE 92 Cb 0.00 -2.21 0.01 0.00 -0.57 0.00 0.00 43.02 40.25 2k06 s PHE 92 CO 0.00 -0.30 -0.17 0.42 -0.10 0.00 0.00 175.22 175.07 2k06 s ILE 93 N -2.48 1.59 -1.63 0.64 -1.09 -1.07 -4.82 121.20 112.34 2k06 s ILE 93 Ca 0.50 -0.73 0.00 0.00 -2.23 0.00 0.00 60.65 58.19 2k06 s ILE 93 Cb -0.05 -1.42 0.00 0.00 -1.58 0.00 0.00 42.46 39.41 2k06 s ILE 93 CO 0.30 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 175.07 2k06 n GLY 94 N 3.84 -0.72 0.22 6.18 0.00 -1.26 -4.23 105.19 109.23 2k06 n GLY 94 Ca -0.20 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.24 2k06 n GLY 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k06 h GLY 95 N 0.00 0.85 -1.95 -0.02 0.00 -1.88 -3.45 103.07 96.63 2k06 h GLY 95 Ca 0.00 -1.20 -0.45 0.00 0.00 0.00 0.00 47.33 45.68 2k06 h GLY 95 CO 0.00 1.07 -0.59 -0.51 0.00 0.00 0.00 176.54 176.51 2k06 s THR 96 N -3.74 0.84 -1.37 4.70 -4.23 -1.24 -5.02 115.64 105.58 2k06 s THR 96 Ca -0.10 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.49 2k06 s THR 96 Cb 0.09 -2.64 0.32 0.00 1.34 0.00 0.00 72.50 71.60 2k06 s THR 96 CO 0.90 0.00 1.14 -1.54 -0.54 0.00 0.00 174.62 174.58 2k06 n SER 97 N -0.77 2.34 0.00 3.99 3.41 -1.26 -3.61 113.62 117.72 2k06 n SER 97 Ca -0.02 -2.19 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 2k06 n SER 97 Cb 0.66 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 2k06 n SER 97 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2k06 n ASP 98 N 0.36 0.89 -3.39 4.04 5.68 -1.26 -4.76 116.55 118.11 2k06 n ASP 98 Ca 0.11 -0.16 -0.20 0.00 -0.50 0.00 0.00 54.79 54.04 2k06 n ASP 98 Cb 0.45 0.49 -0.09 0.00 -1.14 0.00 0.00 41.12 40.83 2k06 n ASP 98 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2k06 s ARG 99 N -0.67 0.57 -0.22 0.11 0.52 -1.24 -5.11 118.95 112.92 2k06 s ARG 99 Ca 0.00 -0.90 -0.29 0.00 -0.52 0.00 0.00 55.73 54.02 2k06 s ARG 99 Cb 0.00 -0.87 -0.03 0.00 0.52 0.00 0.00 34.95 34.57 2k06 s ARG 99 CO 0.00 -1.18 1.75 -1.25 0.02 0.00 0.00 175.30 174.64 2k06 s PRO 100 N 1.44 3.67 0.27 3.54 0.04 -1.26 -3.61 135.00 139.09 2k06 s PRO 100 Ca 0.16 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.65 2k06 s PRO 100 Cb -0.17 -4.11 -0.10 0.00 0.04 0.00 0.00 34.50 30.16 2k06 s PRO 100 CO -0.06 -1.46 1.35 0.00 0.04 0.00 0.00 177.00 176.87 2k06 s ALA 101 N 5.79 3.55 0.64 8.56 0.00 -1.26 -4.87 121.76 134.16 2k06 s ALA 101 Ca 0.78 1.24 -0.15 0.00 0.00 0.00 0.00 51.96 53.82 2k06 s ALA 101 Cb -0.27 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.34 2k06 s ALA 101 CO 0.32 -0.64 1.10 -1.25 0.00 0.00 0.00 175.76 175.29 2k06 s PRO 102 N -0.86 2.91 0.23 0.00 0.04 -1.26 -4.79 135.00 131.26 2k06 s PRO 102 Ca 0.54 1.38 0.09 0.00 0.04 0.00 0.00 61.00 63.05 2k06 s PRO 102 Cb -0.39 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.13 2k06 s PRO 102 CO 0.46 -1.16 -0.17 0.96 0.04 0.00 0.00 177.00 177.13 2k06 s ILE 103 N -2.32 2.02 0.54 0.56 -4.36 -1.22 -5.00 121.20 111.43 2k06 s ILE 103 Ca 0.67 -2.27 -0.20 0.00 -0.26 0.00 0.00 60.65 58.59 2k06 s ILE 103 Cb -0.20 -2.13 -0.05 0.00 1.25 0.00 0.00 42.46 41.33 2k06 s ILE 103 CO 0.40 -0.51 1.22 -0.44 0.24 0.00 0.00 174.94 175.85 2k06 s SER 104 N -3.35 5.51 0.24 4.36 0.01 -1.26 -4.12 113.70 115.10 2k06 s SER 104 Ca 0.25 2.41 -0.05 0.00 1.31 0.00 0.00 55.95 59.87 2k06 s SER 104 Cb -0.03 -2.60 0.33 0.00 0.21 0.00 0.00 66.02 63.92 2k06 s SER 104 CO 0.10 -1.38 1.86 0.44 0.41 0.00 0.00 173.24 174.67 2k06 h ASP 105 N 1.33 0.86 -0.99 2.44 3.32 -1.98 -1.17 116.42 120.23 2k06 h ASP 105 Ca -0.50 0.01 0.06 0.00 0.02 0.00 0.00 57.03 56.62 2k06 h ASP 105 Cb 1.28 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 40.60 2k06 h ASP 105 CO 0.57 0.56 0.65 0.50 -1.72 0.00 0.00 179.24 179.80 2k06 h LYS 106 N 1.00 1.16 -0.96 3.56 3.64 -2.01 -1.21 116.57 121.75 2k06 h LYS 106 Ca 0.37 -0.07 0.18 0.00 -1.27 0.00 0.00 60.65 59.86 2k06 h LYS 106 Cb 0.14 -0.26 -0.10 0.00 -0.41 0.00 0.00 32.23 31.60 2k06 h LYS 106 CO -0.16 0.77 0.56 1.49 -2.27 0.00 0.00 179.45 179.83 2k06 h GLU 107 N 1.19 0.70 -0.38 1.90 4.57 -1.56 0.36 114.58 121.36 2k06 h GLU 107 Ca 0.42 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.52 2k06 h GLU 107 Cb 0.12 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 2k06 h GLU 107 CO -0.16 0.47 0.08 0.28 -1.18 0.00 0.00 179.01 178.50 2k06 h VAL 108 N 0.72 1.18 -0.65 0.32 2.07 -1.20 -2.07 116.25 116.62 2k06 h VAL 108 Ca 0.55 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 2k06 h VAL 108 Cb 0.83 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2k06 h VAL 108 CO -0.38 0.23 0.23 0.44 0.02 0.00 0.00 177.57 178.11 2k06 h ASP 109 N 0.55 0.90 -0.69 0.57 3.32 -0.22 -2.45 116.42 118.40 2k06 h ASP 109 Ca 0.13 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 2k06 h ASP 109 Cb 0.23 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2k06 h ASP 109 CO -0.00 0.83 0.17 0.00 -1.72 0.00 0.00 179.24 178.51 2k06 h ALA 110 N 1.30 0.91 0.01 3.45 0.00 -0.94 -1.68 119.26 122.30 2k06 h ALA 110 Ca 0.22 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2k06 h ALA 110 Cb 0.23 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2k06 h ALA 110 CO -0.01 0.63 -0.42 0.82 0.00 0.00 0.00 179.25 180.27 2k06 h ILE 111 N 1.04 0.15 -0.55 0.00 1.08 -1.15 -0.16 117.51 117.93 2k06 h ILE 111 Ca 0.22 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.68 2k06 h ILE 111 Cb 0.37 0.15 -0.03 0.00 -3.07 0.00 0.00 36.82 34.25 2k06 h ILE 111 CO 0.00 0.00 0.31 0.24 -0.69 0.00 0.00 178.15 178.01 2k06 h MET 112 N -0.58 0.74 -0.74 2.37 2.86 -1.43 -2.08 114.93 116.06 2k06 h MET 112 Ca 0.04 -0.07 0.09 0.00 -2.06 0.00 0.00 59.70 57.71 2k06 h MET 112 Cb 0.65 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 32.09 2k06 h MET 112 CO -0.31 0.53 0.40 -0.97 1.06 0.00 0.00 176.91 177.62 2k06 h ASN 113 N 0.75 0.55 -0.17 1.22 -0.73 -0.10 -2.09 115.58 115.00 2k06 h ASN 113 Ca 0.20 0.05 0.05 0.00 1.87 0.00 0.00 56.30 58.47 2k06 h ASN 113 Cb -0.00 -0.05 -0.07 0.00 0.27 0.00 0.00 38.32 38.47 2k06 h ASN 113 CO -0.03 0.32 -0.29 0.03 -0.37 0.00 0.00 177.43 177.09 2k06 h ARG 114 N 0.68 -0.33 -0.81 6.67 3.08 -0.48 -0.52 114.38 122.66 2k06 h ARG 114 Ca 0.36 0.02 0.20 0.00 0.07 0.00 0.00 59.98 60.63 2k06 h ARG 114 Cb 0.34 0.07 -0.14 0.00 0.08 0.00 0.00 29.97 30.32 2k06 h ARG 114 CO -0.25 -0.22 0.07 1.25 -1.07 0.00 0.00 179.97 179.76 2k06 h LEU 115 N -0.34 -0.26 -1.97 3.04 5.85 -1.42 1.41 115.31 121.62 2k06 h LEU 115 Ca 0.11 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 2k06 h LEU 115 Cb 0.51 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 2k06 h LEU 115 CO -0.36 -0.18 -0.06 1.56 -0.34 0.00 0.00 178.44 179.05 2k06 h GLN 116 N 0.13 0.00 -6.84 1.25 4.20 -0.98 -3.41 115.11 109.45 2k06 h GLN 116 Ca 0.47 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.67 2k06 h GLN 116 Cb 0.87 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.68 2k06 h GLN 116 CO -0.69 0.06 0.49 -1.14 -0.67 0.00 0.00 178.83 176.88 2k06 s GLN 117 N -4.83 4.51 -0.05 1.46 0.74 0.48 -5.04 119.66 116.94 2k06 s GLN 117 Ca -0.05 1.82 0.06 0.00 0.05 0.00 0.00 55.36 57.24 2k06 s GLN 117 Cb 0.16 -3.06 -0.01 0.00 1.10 0.00 0.00 33.01 31.20 2k06 s GLN 117 CO 0.65 0.09 -0.24 0.08 -0.55 0.00 0.00 175.29 175.32 2k06 s VAL 118 N -1.24 1.98 0.58 1.34 1.01 -1.26 -4.96 120.40 117.85 2k06 s VAL 118 Ca 0.47 -1.04 0.32 0.00 0.00 0.00 0.00 61.98 61.74 2k06 s VAL 118 Cb -0.32 -1.67 0.45 0.00 0.00 0.00 0.00 36.38 34.84 2k06 s VAL 118 CO 0.41 0.55 1.65 1.23 0.00 0.00 0.00 175.10 178.94 2k06 h GLY 119 N 5.99 0.00 -5.10 4.51 0.00 -1.96 -3.37 103.07 103.14 2k06 h GLY 119 Ca -0.34 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.31 2k06 h GLY 119 CO 0.47 0.00 -0.69 0.99 0.00 0.00 0.00 176.54 177.31 2k06 s ASP 120 N -4.50 4.64 -0.67 0.19 1.01 -1.26 -5.06 116.67 111.01 2k06 s ASP 120 Ca -0.04 -0.02 0.05 0.00 0.71 0.00 0.00 52.55 53.25 2k06 s ASP 120 Cb 0.18 -1.16 0.17 0.00 1.01 0.00 0.00 42.92 43.11 2k06 s ASP 120 CO 0.61 0.36 0.49 0.29 0.21 0.00 0.00 175.17 177.13 2k06 n LYS 121 N 2.22 1.69 -2.25 8.23 5.02 -1.26 -5.09 118.16 126.72 2k06 n LYS 121 Ca -0.18 -4.36 -0.38 0.00 -2.02 0.00 0.00 58.31 51.37 2k06 n LYS 121 Cb 0.53 -2.22 -0.02 0.00 -0.02 0.00 0.00 35.03 33.31 2k06 n LYS 121 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2k06 s PRO 122 N -1.35 3.98 0.00 1.97 0.04 -1.26 -5.20 135.00 133.17 2k06 s PRO 122 Ca 0.26 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2k06 s PRO 122 Cb -0.02 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.88 2k06 s PRO 122 CO -0.17 -0.39 0.24 0.54 0.04 0.00 0.00 177.00 177.26