#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k06 s SER 2 N 0.00 2.27 -0.15 7.83 1.04 -1.26 -5.13 113.70 118.30 2k06 s SER 2 Ca 0.00 -0.84 -0.08 0.00 0.48 0.00 0.00 55.95 55.51 2k06 s SER 2 Cb 0.00 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.97 2k06 s SER 2 CO 0.00 -0.11 0.14 -0.70 0.98 0.00 0.00 173.24 173.55 2k06 s GLU 3 N -2.75 3.71 0.04 4.02 2.12 -1.26 -5.06 118.70 119.52 2k06 s GLU 3 Ca 0.12 -0.16 -0.30 0.00 0.36 0.00 0.00 54.97 54.99 2k06 s GLU 3 Cb -0.05 -3.27 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 2k06 s GLU 3 CO 0.04 0.61 1.22 0.00 -0.54 0.00 0.00 175.26 176.59 2k06 s ALA 4 N -0.54 3.43 -0.92 6.30 0.00 -1.26 -4.89 121.76 123.87 2k06 s ALA 4 Ca 0.13 0.83 0.17 0.00 0.00 0.00 0.00 51.96 53.08 2k06 s ALA 4 Cb -0.12 -3.47 0.70 0.00 0.00 0.00 0.00 23.12 20.24 2k06 s ALA 4 CO 0.02 -0.52 1.52 -0.35 0.00 0.00 0.00 175.76 176.43 2k06 n PRO 5 N 4.20 0.03 -3.20 0.00 -0.04 -1.26 -4.75 135.00 129.98 2k06 n PRO 5 Ca 0.10 0.27 -0.27 0.00 -0.04 0.00 0.00 63.50 63.55 2k06 n PRO 5 Cb 0.46 -1.56 -0.02 0.00 -0.04 0.00 0.00 33.50 32.34 2k06 n PRO 5 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2k06 s LYS 6 N -3.05 3.59 -1.12 0.54 1.02 -1.26 -4.30 119.74 115.17 2k06 s LYS 6 Ca 0.07 -0.02 -0.03 0.00 0.02 0.00 0.00 55.97 56.01 2k06 s LYS 6 Cb 0.10 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.82 2k06 s LYS 6 CO 0.30 0.11 0.95 1.63 -0.92 0.00 0.00 175.35 177.42 2k06 n LYS 7 N -1.38 -6.35 -2.84 1.68 5.02 -1.26 -4.97 118.16 108.05 2k06 n LYS 7 Ca -0.02 0.75 -0.34 0.00 -2.02 0.00 0.00 58.31 56.68 2k06 n LYS 7 Cb 0.55 -5.49 -0.07 0.00 -0.02 0.00 0.00 35.03 30.00 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 -5.58 4.31 0.15 1.97 0.52 -1.24 -4.54 118.95 114.53 2k06 s ARG 8 Ca 0.20 1.14 -0.30 0.00 -0.52 0.00 0.00 55.73 56.25 2k06 s ARG 8 Cb -0.09 -2.39 -0.07 0.00 0.52 0.00 0.00 34.95 32.93 2k06 s ARG 8 CO 0.65 0.08 1.02 -1.58 0.02 0.00 0.00 175.30 175.49 2k06 s TRP 9 N -2.00 3.73 -0.01 -0.53 0.52 -1.26 -1.63 118.94 117.76 2k06 s TRP 9 Ca 0.58 1.72 0.03 0.00 0.02 0.00 0.00 56.10 58.45 2k06 s TRP 9 Cb -0.12 -3.15 -0.01 0.00 -1.15 0.00 0.00 33.47 29.05 2k06 s TRP 9 CO 0.16 -0.13 -0.10 0.71 0.02 0.00 0.00 176.95 177.61 2k06 s TYR 10 N -0.22 0.92 0.35 -1.98 2.02 -1.22 -3.71 117.35 113.50 2k06 s TYR 10 Ca 0.47 -0.19 -0.19 0.00 -0.37 0.00 0.00 57.07 56.80 2k06 s TYR 10 Cb -0.26 -0.61 -0.10 0.00 -0.40 0.00 0.00 41.96 40.59 2k06 s TYR 10 CO 0.32 -0.04 0.83 0.08 -1.57 0.00 0.00 175.55 175.18 2k06 s VAL 11 N -0.14 4.52 -0.10 0.71 1.01 -1.26 -0.86 120.40 124.28 2k06 s VAL 11 Ca 0.02 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.26 2k06 s VAL 11 Cb -0.05 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.69 2k06 s VAL 11 CO -0.00 -0.17 -0.09 -0.69 0.00 0.00 0.00 175.10 174.15 2k06 s VAL 12 N -1.98 1.10 0.35 2.92 1.01 0.43 -3.57 120.40 120.66 2k06 s VAL 12 Ca 0.56 -0.37 -0.25 0.00 0.00 0.00 0.00 61.98 61.91 2k06 s VAL 12 Cb -0.11 -1.08 -0.10 0.00 0.00 0.00 0.00 36.38 35.10 2k06 s VAL 12 CO 0.17 0.37 0.97 -1.10 0.00 0.00 0.00 175.10 175.51 2k06 s GLN 13 N 1.38 4.47 0.09 2.72 -0.21 -0.79 -2.52 119.66 124.81 2k06 s GLN 13 Ca -0.01 1.37 -0.22 0.00 0.02 0.00 0.00 55.36 56.52 2k06 s GLN 13 Cb -0.14 -2.71 0.05 0.00 1.00 0.00 0.00 33.01 31.22 2k06 s GLN 13 CO -0.05 0.17 0.53 0.00 -2.12 0.00 0.00 175.29 173.81 2k06 s ALA 14 N -1.66 -1.35 0.43 6.09 0.00 -0.94 -1.96 121.76 122.38 2k06 s ALA 14 Ca 0.52 0.47 -0.26 0.00 0.00 0.00 0.00 51.96 52.70 2k06 s ALA 14 Cb -0.19 0.57 -0.08 0.00 0.00 0.00 0.00 23.12 23.42 2k06 s ALA 14 CO 0.24 -0.60 1.35 -0.06 0.00 0.00 0.00 175.76 176.69 2k06 s PHE 15 N -3.03 2.68 0.58 0.00 0.08 -1.23 -3.97 117.98 113.08 2k06 s PHE 15 Ca -0.02 1.36 -0.18 0.00 0.12 0.00 0.00 56.93 58.20 2k06 s PHE 15 Cb -0.00 -3.76 -0.04 0.00 -0.57 0.00 0.00 43.02 38.65 2k06 s PHE 15 CO -0.06 -2.40 1.15 -1.54 -0.10 0.00 0.00 175.22 172.26 2k06 s SER 16 N -0.67 5.40 0.00 1.36 1.04 -1.26 -2.64 113.70 116.92 2k06 s SER 16 Ca 0.59 2.22 0.00 0.00 0.48 0.00 0.00 55.95 59.24 2k06 s SER 16 Cb -0.40 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.14 2k06 s SER 16 CO 0.51 -1.44 0.00 0.61 0.98 0.00 0.00 173.24 173.90 2k06 n GLY 17 N 0.16 2.48 0.53 7.32 0.00 -1.26 -4.63 105.19 109.79 2k06 n GLY 17 Ca 0.12 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 0.36 -0.33 1.61 3.72 -1.14 -4.62 117.46 117.07 2k06 n PHE 18 Ca 0.00 -0.46 0.06 0.00 -0.05 0.00 0.00 57.45 57.00 2k06 n PHE 18 Cb 0.00 -0.03 0.22 0.00 -0.94 0.00 0.00 39.48 38.74 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 1.74 0.85 -0.30 -1.08 4.81 -1.76 0.13 114.58 118.96 2k06 h GLU 19 Ca 0.00 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 2k06 h GLU 19 Cb 0.67 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2k06 h GLU 19 CO 0.00 0.56 -0.08 0.78 -0.73 0.00 0.00 179.01 179.54 2k06 h GLY 20 N 0.87 0.64 1.48 1.92 0.00 -1.91 -2.88 103.07 103.20 2k06 h GLY 20 Ca 0.47 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 2k06 h GLY 20 CO -0.28 0.48 0.16 -0.09 0.00 0.00 0.00 176.54 176.81 2k06 h ARG 21 N 0.35 0.67 -0.89 4.80 2.43 -1.55 -2.03 114.38 118.16 2k06 h ARG 21 Ca 0.08 -0.10 0.09 0.00 -0.81 0.00 0.00 59.98 59.23 2k06 h ARG 21 Cb 0.57 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 29.94 2k06 h ARG 21 CO 0.03 0.57 0.58 0.28 -1.51 0.00 0.00 179.97 179.92 2k06 h VAL 22 N 0.66 1.00 -0.48 0.20 2.07 -0.57 0.17 116.25 119.29 2k06 h VAL 22 Ca 0.16 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 2k06 h VAL 22 Cb 0.17 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 2k06 h VAL 22 CO -0.01 0.17 -0.03 0.00 0.02 0.00 0.00 177.57 177.72 2k06 h ALA 23 N 1.54 1.04 -0.14 1.67 0.00 -1.30 -1.12 119.26 120.95 2k06 h ALA 23 Ca 0.40 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.82 2k06 h ALA 23 Cb 0.33 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2k06 h ALA 23 CO -0.16 0.59 -0.74 1.15 0.00 0.00 0.00 179.25 180.09 2k06 h THR 24 N 0.76 1.29 -0.25 0.00 2.02 -1.01 -3.02 112.91 112.70 2k06 h THR 24 Ca 0.14 -1.95 -0.05 0.00 0.77 0.00 0.00 66.41 65.31 2k06 h THR 24 Cb 0.50 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.93 2k06 h THR 24 CO 0.03 0.61 -0.08 0.28 0.37 0.00 0.00 175.52 176.73 2k06 h SER 25 N 0.46 0.38 -0.01 4.18 0.02 -0.56 -2.89 113.55 115.13 2k06 h SER 25 Ca -0.05 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2k06 h SER 25 Cb 1.37 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.81 2k06 h SER 25 CO 0.15 0.51 0.00 0.25 -1.14 0.00 0.00 176.83 176.60 2k06 h LEU 26 N 0.38 0.01 -0.81 5.07 5.85 -1.15 -2.95 115.31 121.71 2k06 h LEU 26 Ca 0.08 -0.17 0.15 0.00 0.84 0.00 0.00 57.88 58.78 2k06 h LEU 26 Cb 0.39 -0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.26 2k06 h LEU 26 CO 0.02 0.17 -0.28 -0.09 -0.34 0.00 0.00 178.44 177.92 2k06 h ARG 27 N -0.16 -0.04 -0.48 1.25 2.43 -1.39 0.37 114.38 116.37 2k06 h ARG 27 Ca 0.00 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.27 2k06 h ARG 27 Cb 0.17 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.64 2k06 h ARG 27 CO -0.00 -0.03 -0.05 0.93 -1.51 0.00 0.00 179.97 179.32 2k06 h GLU 28 N -0.04 0.06 -0.14 0.20 5.08 -1.54 0.48 114.58 118.69 2k06 h GLU 28 Ca 0.35 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.74 2k06 h GLU 28 Cb 0.59 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2k06 h GLU 28 CO -0.84 0.04 0.14 0.45 -1.00 0.00 0.00 179.01 177.80 2k06 h HIS 29 N 0.06 0.00 0.08 4.33 3.86 -0.22 0.13 115.15 123.39 2k06 h HIS 29 Ca 0.24 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 2k06 h HIS 29 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 2k06 h HIS 29 CO -0.35 0.00 -0.04 0.82 0.86 0.00 0.00 177.93 179.23 2k06 h ILE 30 N 0.00 1.20 -0.55 2.45 1.08 0.95 -2.24 117.51 120.39 2k06 h ILE 30 Ca 0.06 -1.28 -0.11 0.00 -0.39 0.00 0.00 64.86 63.15 2k06 h ILE 30 Cb 0.35 1.99 -0.02 0.00 -3.07 0.00 0.00 36.82 36.07 2k06 h ILE 30 CO -0.00 0.30 -0.08 0.11 -0.69 0.00 0.00 178.15 177.79 2k06 h LYS 31 N -0.72 1.02 0.57 2.37 1.57 -0.73 1.64 116.57 122.30 2k06 h LYS 31 Ca -0.01 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.39 2k06 h LYS 31 Cb 0.57 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2k06 h LYS 31 CO 0.02 1.05 -0.40 -0.07 -0.57 0.00 0.00 179.45 179.48 2k06 h LEU 32 N 0.92 -1.04 -1.13 2.94 3.38 -0.82 -2.32 115.31 117.24 2k06 h LEU 32 Ca 0.15 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2k06 h LEU 32 Cb 0.65 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2k06 h LEU 32 CO 0.04 -0.60 0.00 1.41 0.09 0.00 0.00 178.44 179.38 2k06 n HIS 33 N -5.52 0.26 -3.67 1.13 8.25 -0.84 -4.92 115.22 109.89 2k06 n HIS 33 Ca -0.12 -0.13 -0.22 0.00 -0.26 0.00 0.00 57.72 56.99 2k06 n HIS 33 Cb 0.42 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.57 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 0.34 -1.96 -1.52 0.41 3.02 0.50 -4.86 115.26 111.19 2k06 n ASN 34 Ca 0.15 -0.77 0.09 0.00 -0.03 0.00 0.00 54.58 54.02 2k06 n ASN 34 Cb 0.32 -4.27 0.34 0.00 -0.61 0.00 0.00 39.78 35.56 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 -4.33 3.59 0.04 3.52 2.81 0.24 -4.40 117.12 118.59 2k06 n MET 35 Ca -0.25 -2.67 0.19 0.00 -1.81 0.00 0.00 57.70 53.17 2k06 n MET 35 Cb 0.65 -1.87 0.70 0.00 -0.71 0.00 0.00 33.22 32.00 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 3.81 0.00 -0.43 0.03 5.08 -1.87 0.88 114.58 122.08 2k06 h GLU 36 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 2k06 h GLU 36 Cb 1.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 2k06 h GLU 36 CO 0.23 0.00 -0.20 -0.44 -1.00 0.00 0.00 179.01 177.60 2k06 h ASP 37 N 0.00 0.87 0.11 1.42 3.32 -1.94 -3.23 116.42 116.96 2k06 h ASP 37 Ca 0.22 -0.31 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 2k06 h ASP 37 Cb 0.92 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2k06 h ASP 37 CO -0.00 1.04 -0.05 -0.07 -1.72 0.00 0.00 179.24 178.44 2k06 h LEU 38 N 0.75 -0.12 -9.65 1.55 3.38 -1.19 -3.43 115.31 106.59 2k06 h LEU 38 Ca 0.11 -0.45 -0.52 0.00 0.09 0.00 0.00 57.88 57.10 2k06 h LEU 38 Cb 0.73 0.03 0.03 0.00 0.09 0.00 0.00 40.66 41.54 2k06 h LEU 38 CO 0.06 0.45 0.65 -0.36 0.09 0.00 0.00 178.44 179.33 2k06 s PHE 39 N -3.54 3.27 -0.05 1.13 0.40 -0.69 -3.62 117.98 114.88 2k06 s PHE 39 Ca -0.14 1.21 -0.07 0.00 -0.60 0.00 0.00 56.93 57.32 2k06 s PHE 39 Cb 0.00 -3.59 -0.02 0.00 0.51 0.00 0.00 43.02 39.92 2k06 s PHE 39 CO 0.55 -1.87 -0.14 0.41 0.70 0.00 0.00 175.22 174.87 2k06 n GLY 40 N 2.51 -0.34 3.17 4.36 0.00 0.28 -4.80 105.19 110.37 2k06 n GLY 40 Ca 0.07 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.96 0.64 0.11 1.61 2.02 -1.25 -4.94 118.70 114.93 2k06 s GLU 41 Ca -0.12 -0.52 0.08 0.00 0.02 0.00 0.00 54.97 54.43 2k06 s GLU 41 Cb 0.02 0.27 -0.04 0.00 0.10 0.00 0.00 34.13 34.47 2k06 s GLU 41 CO 0.17 -0.18 -0.14 0.08 0.02 0.00 0.00 175.26 175.22 2k06 s VAL 42 N -2.14 3.13 -0.01 2.63 1.01 -1.26 0.10 120.40 123.86 2k06 s VAL 42 Ca -0.08 -1.36 0.03 0.00 0.00 0.00 0.00 61.98 60.57 2k06 s VAL 42 Cb -0.03 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 2k06 s VAL 42 CO -0.02 0.12 -0.10 -0.04 0.00 0.00 0.00 175.10 175.06 2k06 s MET 43 N -2.14 0.83 -0.53 2.72 -1.94 -0.47 -5.00 119.30 112.77 2k06 s MET 43 Ca 0.20 -0.39 0.05 0.00 -1.71 0.00 0.00 55.69 53.84 2k06 s MET 43 Cb -0.11 -0.80 0.20 0.00 2.01 0.00 0.00 34.83 36.12 2k06 s MET 43 CO 0.12 0.22 0.48 0.28 -0.01 0.00 0.00 175.02 176.11 2k06 n VAL 44 N 2.77 0.27 -0.66 -6.03 0.31 -1.26 -3.44 118.33 110.29 2k06 n VAL 44 Ca -0.14 -4.23 -0.18 0.00 -0.01 0.00 0.00 64.34 59.77 2k06 n VAL 44 Cb 0.56 -1.94 -0.03 0.00 -0.91 0.00 0.00 33.84 31.53 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 2.02 1.80 -4.22 5.55 -0.04 -1.26 -4.77 135.00 134.08 2k06 n PRO 45 Ca 0.25 -1.25 -0.18 0.00 -0.04 0.00 0.00 63.50 62.28 2k06 n PRO 45 Cb 0.44 -2.32 -0.11 0.00 -0.04 0.00 0.00 33.50 31.47 2k06 n PRO 45 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2k06 s THR 46 N 3.27 1.27 0.46 0.52 -4.23 -1.26 -4.43 115.64 111.25 2k06 s THR 46 Ca 0.36 -1.62 0.40 0.00 -1.18 0.00 0.00 61.69 59.66 2k06 s THR 46 Cb 0.11 -1.42 0.42 0.00 1.34 0.00 0.00 72.50 72.94 2k06 s THR 46 CO -0.03 -0.37 2.23 -0.33 -0.54 0.00 0.00 174.62 175.58 2k06 h GLU 47 N 3.71 0.00 -1.08 3.99 5.08 -1.88 -2.43 114.58 121.96 2k06 h GLU 47 Ca -0.40 0.00 0.29 0.00 -1.00 0.00 0.00 59.36 58.25 2k06 h GLU 47 Cb 1.19 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.36 2k06 h GLU 47 CO 0.48 0.00 0.72 1.49 -1.00 0.00 0.00 179.01 180.70 2k06 h GLU 48 N 0.00 0.28 -5.26 2.33 4.81 -1.92 -3.38 114.58 111.44 2k06 h GLU 48 Ca 0.00 -0.02 -0.54 0.00 -0.13 0.00 0.00 59.36 58.67 2k06 h GLU 48 Cb 0.11 -0.06 -0.31 0.00 0.63 0.00 0.00 28.75 29.12 2k06 h GLU 48 CO 0.00 0.18 -0.83 0.54 -0.73 0.00 0.00 179.01 178.18 2k06 s VAL 49 N -5.36 1.32 0.11 0.32 0.11 -0.92 -5.12 120.40 110.87 2k06 s VAL 49 Ca -0.08 -0.67 0.00 0.00 -2.93 0.00 0.00 61.98 58.31 2k06 s VAL 49 Cb 0.25 -1.14 -0.04 0.00 -1.53 0.00 0.00 36.38 33.92 2k06 s VAL 49 CO 0.80 0.38 -0.01 0.68 -3.33 0.00 0.00 175.10 173.62 2k06 s VAL 50 N -0.02 0.42 0.16 2.04 -7.23 -1.26 -4.69 120.40 109.82 2k06 s VAL 50 Ca -0.02 -1.90 -0.26 0.00 -1.81 0.00 0.00 61.98 57.99 2k06 s VAL 50 Cb -0.10 -1.80 0.01 0.00 0.56 0.00 0.00 36.38 35.05 2k06 s VAL 50 CO 0.01 -0.74 1.58 -0.08 -0.31 0.00 0.00 175.10 175.56 2k06 h GLU 51 N 2.94 -0.30 -4.11 4.82 4.57 -1.99 -3.34 114.58 117.18 2k06 h GLU 51 Ca -0.35 0.02 -0.62 0.00 -1.18 0.00 0.00 59.36 57.23 2k06 h GLU 51 Cb 1.17 0.07 -0.40 0.00 -0.16 0.00 0.00 28.75 29.43 2k06 h GLU 51 CO 0.63 -0.20 -0.74 -1.50 -1.18 0.00 0.00 179.01 176.02 2k06 s ILE 52 N -5.88 1.52 0.51 2.32 2.07 -1.26 -5.11 121.20 115.38 2k06 s ILE 52 Ca -0.15 -1.76 -0.23 0.00 -1.41 0.00 0.00 60.65 57.10 2k06 s ILE 52 Cb 0.12 -2.10 -0.06 0.00 0.13 0.00 0.00 42.46 40.55 2k06 s ILE 52 CO 0.66 -0.58 1.35 0.54 -1.91 0.00 0.00 174.94 175.00 2k06 n ARG 53 N 4.58 1.82 0.20 3.50 1.74 -1.26 -4.87 116.66 122.38 2k06 n ARG 53 Ca -0.01 0.66 0.04 0.00 -0.77 0.00 0.00 57.85 57.77 2k06 n ARG 53 Cb 0.42 -2.55 0.41 0.00 -1.02 0.00 0.00 32.46 29.73 2k06 n ARG 53 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2k06 h GLY 54 N 1.67 0.00 0.00 -0.13 0.00 -1.99 -3.48 103.07 99.14 2k06 h GLY 54 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2k06 h GLY 54 CO 0.58 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.73 2k06 n GLY 55 N -0.68 1.53 0.32 4.60 0.00 -1.26 -4.68 105.19 105.02 2k06 n GLY 55 Ca -0.02 -0.80 0.10 0.00 0.00 0.00 0.00 46.02 45.30 2k06 n GLY 55 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2k06 h GLN 56 N 0.00 0.26 -5.75 1.61 5.75 -2.03 -3.45 115.11 111.49 2k06 h GLN 56 Ca 0.00 -0.02 -0.39 0.00 -0.15 0.00 0.00 58.65 58.09 2k06 h GLN 56 Cb 0.00 -0.06 0.14 0.00 1.07 0.00 0.00 27.48 28.63 2k06 h GLN 56 CO 0.00 0.17 -0.67 0.54 -2.65 0.00 0.00 178.83 176.22 2k06 n ARG 57 N -4.48 -7.84 0.05 1.69 1.74 -1.26 -4.85 116.66 101.71 2k06 n ARG 57 Ca 0.05 0.81 0.08 0.00 -0.77 0.00 0.00 57.85 58.02 2k06 n ARG 57 Cb 0.26 -5.83 0.52 0.00 -1.02 0.00 0.00 32.46 26.39 2k06 n ARG 57 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k06 h ARG 58 N -2.66 0.33 -6.56 5.56 3.08 -1.98 -3.41 114.38 108.74 2k06 h ARG 58 Ca -0.56 -0.02 -0.52 0.00 0.07 0.00 0.00 59.98 58.95 2k06 h ARG 58 Cb 1.36 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.34 2k06 h ARG 58 CO 0.55 0.22 0.48 0.21 -1.07 0.00 0.00 179.97 180.36 2k06 s LYS 59 N -5.33 4.55 0.75 0.04 2.20 -1.26 -4.99 119.74 115.69 2k06 s LYS 59 Ca -0.07 1.67 -0.15 0.00 -0.36 0.00 0.00 55.97 57.06 2k06 s LYS 59 Cb 0.18 -3.33 0.04 0.00 -1.51 0.00 0.00 37.83 33.20 2k06 s LYS 59 CO 0.72 -0.04 1.12 0.43 -0.36 0.00 0.00 175.35 177.22 2k06 n SER 60 N 3.10 0.96 -4.33 1.43 7.64 -1.26 -5.02 113.62 116.14 2k06 n SER 60 Ca 0.05 0.66 -0.26 0.00 1.01 0.00 0.00 58.87 60.33 2k06 n SER 60 Cb 0.47 -1.47 -0.13 0.00 -1.01 0.00 0.00 64.21 62.07 2k06 n SER 60 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2k06 s GLU 61 N -3.68 1.26 0.05 1.43 2.02 -1.26 -5.14 118.70 113.38 2k06 s GLU 61 Ca 0.75 -1.23 0.06 0.00 0.02 0.00 0.00 54.97 54.57 2k06 s GLU 61 Cb -0.33 -1.61 -0.03 0.00 0.10 0.00 0.00 34.13 32.26 2k06 s GLU 61 CO 0.49 0.38 -0.18 1.03 0.02 0.00 0.00 175.26 177.00 2k06 s ARG 62 N -1.93 1.16 -0.29 1.61 0.52 -1.26 -5.04 118.95 113.72 2k06 s ARG 62 Ca 0.10 -0.90 -0.10 0.00 -0.52 0.00 0.00 55.73 54.30 2k06 s ARG 62 Cb -0.10 -1.25 -0.03 0.00 0.52 0.00 0.00 34.95 34.09 2k06 s ARG 62 CO 0.05 0.31 0.16 0.15 0.02 0.00 0.00 175.30 175.99 2k06 s LYS 63 N -1.28 3.66 0.17 3.54 1.02 -1.26 -3.80 119.74 121.79 2k06 s LYS 63 Ca 0.05 -0.50 -0.14 0.00 0.02 0.00 0.00 55.97 55.39 2k06 s LYS 63 Cb -0.09 -3.58 0.06 0.00 -0.52 0.00 0.00 37.83 33.70 2k06 s LYS 63 CO 0.02 -0.28 1.83 0.35 -0.92 0.00 0.00 175.35 176.34 2k06 h PHE 64 N 8.35 0.61 -3.32 3.18 3.04 -1.95 -3.30 116.94 123.56 2k06 h PHE 64 Ca -0.34 0.02 -0.67 0.00 3.98 0.00 0.00 57.97 60.95 2k06 h PHE 64 Cb 1.17 -0.20 -0.38 0.00 2.56 0.00 0.00 35.95 39.10 2k06 h PHE 64 CO 0.70 0.37 -0.35 -0.06 -2.02 0.00 0.00 178.31 176.94 2k06 s PHE 65 N -6.15 3.61 -0.21 0.41 0.40 -1.26 -5.06 117.98 109.72 2k06 s PHE 65 Ca -0.13 -3.07 -0.29 0.00 -0.60 0.00 0.00 56.93 52.84 2k06 s PHE 65 Cb 0.12 -3.03 -0.03 0.00 0.51 0.00 0.00 43.02 40.59 2k06 s PHE 65 CO 0.74 -0.71 1.62 -1.25 0.70 0.00 0.00 175.22 176.32 2k06 s PRO 66 N -0.96 3.82 0.00 0.24 0.04 -1.24 -2.27 135.00 134.62 2k06 s PRO 66 Ca 0.23 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2k06 s PRO 66 Cb -0.12 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.39 2k06 s PRO 66 CO -0.10 -1.27 0.00 0.41 0.04 0.00 0.00 177.00 176.08 2k06 n GLY 67 N 4.62 0.41 3.11 0.56 0.00 -1.26 -4.84 105.19 107.80 2k06 n GLY 67 Ca 0.19 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.00 3.29 -0.02 1.61 1.51 -0.96 -2.22 117.35 118.56 2k06 s TYR 68 Ca 0.00 -2.18 0.01 0.00 -1.01 0.00 0.00 57.07 53.89 2k06 s TYR 68 Cb 0.00 -2.05 0.01 0.00 -0.11 0.00 0.00 41.96 39.81 2k06 s TYR 68 CO 0.00 -0.85 -0.02 0.08 -1.11 0.00 0.00 175.55 173.65 2k06 s VAL 69 N 1.15 0.25 0.01 0.71 1.01 -1.05 -4.73 120.40 117.75 2k06 s VAL 69 Ca -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 2k06 s VAL 69 Cb -0.20 -0.29 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 2k06 s VAL 69 CO -0.04 0.12 0.16 -0.76 0.00 0.00 0.00 175.10 174.59 2k06 s LEU 70 N 0.56 4.23 -0.17 3.92 1.02 -1.22 0.16 118.68 127.18 2k06 s LEU 70 Ca -0.06 0.27 -0.04 0.00 0.02 0.00 0.00 54.13 54.32 2k06 s LEU 70 Cb -0.09 -2.61 0.08 0.00 0.02 0.00 0.00 46.19 43.59 2k06 s LEU 70 CO -0.01 0.24 0.23 -0.69 0.02 0.00 0.00 176.35 176.14 2k06 s VAL 71 N -1.34 -0.35 -0.00 -1.59 1.01 -0.04 -1.37 120.40 116.72 2k06 s VAL 71 Ca 0.28 0.05 -0.35 0.00 0.00 0.00 0.00 61.98 61.96 2k06 s VAL 71 Cb -0.13 -0.57 -0.13 0.00 0.00 0.00 0.00 36.38 35.55 2k06 s VAL 71 CO 0.20 -0.08 1.72 0.00 0.00 0.00 0.00 175.10 176.94 2k06 n GLN 72 N 5.33 2.00 -3.62 2.72 6.02 0.11 -3.39 117.38 126.55 2k06 n GLN 72 Ca -0.05 0.73 -0.03 0.00 -0.01 0.00 0.00 57.00 57.63 2k06 n GLN 72 Cb 0.50 -2.52 -0.03 0.00 1.02 0.00 0.00 30.24 29.21 2k06 n GLN 72 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 2k06 s MET 73 N 2.64 0.16 0.04 -1.09 1.75 -0.65 0.99 119.30 123.15 2k06 s MET 73 Ca 0.88 -0.02 -0.16 0.00 -1.25 0.00 0.00 55.69 55.14 2k06 s MET 73 Cb -0.74 0.08 -0.06 0.00 2.84 0.00 0.00 34.83 36.95 2k06 s MET 73 CO 0.48 -0.06 0.48 0.08 -0.65 0.00 0.00 175.02 175.34 2k06 s VAL 74 N -1.66 4.90 -0.48 10.11 1.01 -1.24 -3.73 120.40 129.31 2k06 s VAL 74 Ca 0.09 0.98 -0.26 0.00 0.00 0.00 0.00 61.98 62.79 2k06 s VAL 74 Cb -0.01 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.61 2k06 s VAL 74 CO -0.05 0.54 0.98 -0.04 0.00 0.00 0.00 175.10 176.53 2k06 s MET 75 N -1.17 3.54 0.27 2.72 -1.94 -1.26 -4.73 119.30 116.73 2k06 s MET 75 Ca 0.27 0.19 0.03 0.00 -1.71 0.00 0.00 55.69 54.47 2k06 s MET 75 Cb -0.18 -3.94 -0.04 0.00 2.01 0.00 0.00 34.83 32.68 2k06 s MET 75 CO 0.16 -1.31 0.18 0.54 -0.01 0.00 0.00 175.02 174.58 2k06 s ASN 76 N 2.41 1.07 0.51 3.03 4.22 -1.26 -4.95 114.94 119.96 2k06 s ASN 76 Ca 0.39 -1.54 0.24 0.00 -2.14 0.00 0.00 52.86 49.81 2k06 s ASN 76 Cb -0.10 0.42 1.36 0.00 1.28 0.00 0.00 41.25 44.21 2k06 s ASN 76 CO 0.27 -0.91 2.06 0.44 -2.04 0.00 0.00 177.10 176.92 2k06 h ASP 77 N 2.34 0.00 0.00 3.54 3.32 -1.97 0.14 116.42 123.80 2k06 h ASP 77 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2k06 h ASP 77 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2k06 h ASP 77 CO 0.49 0.13 0.00 0.00 -1.72 0.00 0.00 179.24 178.14 2k06 n ALA 78 N -2.34 -0.04 -0.19 3.45 0.00 -1.26 -2.64 120.51 117.49 2k06 n ALA 78 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 2k06 n ALA 78 Cb 0.23 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.77 2k06 n ALA 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2k06 h SER 79 N 0.00 0.23 -0.19 0.00 4.64 -1.87 0.09 113.55 116.45 2k06 h SER 79 Ca 0.00 0.07 0.05 0.00 -0.47 0.00 0.00 61.79 61.44 2k06 h SER 79 Cb 0.00 0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 62.06 2k06 h SER 79 CO 0.00 0.15 -0.30 -0.25 -0.87 0.00 0.00 176.83 175.56 2k06 h TRP 80 N 0.40 -0.81 -0.83 4.77 7.01 -0.87 0.42 115.95 126.04 2k06 h TRP 80 Ca 0.28 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.30 2k06 h TRP 80 Cb 0.31 0.39 -0.04 0.00 -2.10 0.00 0.00 29.16 27.72 2k06 h TRP 80 CO -0.16 -0.37 0.45 1.25 -2.79 0.00 0.00 178.44 176.82 2k06 h HIS 81 N -0.33 1.14 -0.67 2.65 2.76 -1.16 -2.33 115.15 117.19 2k06 h HIS 81 Ca 0.12 -0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.22 2k06 h HIS 81 Cb 0.52 -0.36 -0.03 0.00 1.55 0.00 0.00 27.41 29.08 2k06 h HIS 81 CO -0.42 0.79 0.27 1.25 -1.30 0.00 0.00 177.93 178.52 2k06 h LEU 82 N 1.16 0.93 -0.69 0.26 5.85 0.57 -2.58 115.31 120.81 2k06 h LEU 82 Ca 0.29 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.91 2k06 h LEU 82 Cb 0.03 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.76 2k06 h LEU 82 CO -0.05 0.85 0.38 0.58 -0.34 0.00 0.00 178.44 179.86 2k06 h VAL 83 N 0.95 0.95 -0.51 1.05 2.07 0.31 -0.55 116.25 120.53 2k06 h VAL 83 Ca 0.22 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 2k06 h VAL 83 Cb 0.21 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 2k06 h VAL 83 CO -0.02 0.12 0.23 -0.09 0.02 0.00 0.00 177.57 177.83 2k06 h ARG 84 N 0.68 0.71 0.00 1.57 2.43 -1.21 -1.21 114.38 117.35 2k06 h ARG 84 Ca 0.31 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.34 2k06 h ARG 84 Cb 0.23 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2k06 h ARG 84 CO -0.20 0.57 -0.28 1.03 -1.51 0.00 0.00 179.97 179.57 2k06 h SER 85 N 0.71 0.00 -2.12 -3.80 0.87 -0.78 -3.43 113.55 105.00 2k06 h SER 85 Ca 0.18 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 60.13 2k06 h SER 85 Cb 0.10 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 62.10 2k06 h SER 85 CO -0.02 0.28 0.94 0.52 -0.53 0.00 0.00 176.83 178.02 2k06 n VAL 86 N -3.96 0.29 -1.78 2.23 0.31 -0.46 -4.93 118.33 110.04 2k06 n VAL 86 Ca -0.02 -0.05 -0.33 0.00 -0.01 0.00 0.00 64.34 63.93 2k06 n VAL 86 Cb 0.35 -1.68 0.04 0.00 -0.91 0.00 0.00 33.84 31.65 2k06 n VAL 86 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2k06 s PRO 87 N 2.51 2.84 -1.09 5.55 0.04 -1.26 -3.77 135.00 139.82 2k06 s PRO 87 Ca 0.86 1.37 -0.05 0.00 0.04 0.00 0.00 61.00 63.22 2k06 s PRO 87 Cb -0.70 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 31.89 2k06 s PRO 87 CO 0.45 -1.21 0.94 0.54 0.04 0.00 0.00 177.00 177.76 2k06 n ARG 88 N -2.40 -6.27 -3.90 4.56 5.12 -1.26 -4.85 116.66 107.66 2k06 n ARG 88 Ca 0.10 0.70 -0.28 0.00 -1.93 0.00 0.00 57.85 56.44 2k06 n ARG 88 Cb 0.52 -5.31 -0.16 0.00 -1.16 0.00 0.00 32.46 26.34 2k06 n ARG 88 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2k06 s VAL 89 N -3.28 1.14 0.15 1.55 1.01 -1.25 -3.58 120.40 116.15 2k06 s VAL 89 Ca 0.32 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 2k06 s VAL 89 Cb -0.14 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 2k06 s VAL 89 CO 0.61 0.15 1.53 0.24 0.00 0.00 0.00 175.10 177.63 2k06 h MET 90 N 8.11 0.98 0.00 2.72 2.86 -1.70 -3.47 114.93 124.43 2k06 h MET 90 Ca -0.25 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 56.95 2k06 h MET 90 Cb 1.11 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.75 2k06 h MET 90 CO 0.41 1.11 0.00 0.41 1.06 0.00 0.00 176.91 179.90 2k06 n GLY 91 N -0.06 -0.51 3.73 8.32 0.00 -1.25 -5.01 105.19 110.40 2k06 n GLY 91 Ca -0.00 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.11 2.66 -0.05 1.61 0.08 -1.26 -1.88 117.98 116.02 2k06 s PHE 92 Ca 0.00 -0.45 0.06 0.00 0.12 0.00 0.00 56.93 56.65 2k06 s PHE 92 Cb 0.00 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 40.70 2k06 s PHE 92 CO 0.00 0.29 -0.22 0.42 -0.10 0.00 0.00 175.22 175.61 2k06 s ILE 93 N -2.49 2.36 -3.33 0.64 1.01 -1.23 -4.86 121.20 113.29 2k06 s ILE 93 Ca 0.39 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 60.06 2k06 s ILE 93 Cb -0.00 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.60 2k06 s ILE 93 CO 0.22 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.35 2k06 n GLY 94 N 2.68 -0.51 0.13 6.18 0.00 -1.26 -4.23 105.19 108.17 2k06 n GLY 94 Ca -0.17 -0.65 -0.19 0.00 0.00 0.00 0.00 46.02 45.01 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 0.42 -1.61 -0.02 0.00 -1.88 -3.44 103.07 96.54 2k06 h GLY 95 Ca 0.00 -0.89 -0.52 0.00 0.00 0.00 0.00 47.33 45.92 2k06 h GLY 95 CO 0.00 0.78 -0.57 -0.51 0.00 0.00 0.00 176.54 176.24 2k06 s THR 96 N -2.80 1.02 -0.89 4.70 -4.23 -1.24 -5.01 115.64 107.19 2k06 s THR 96 Ca -0.13 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.46 2k06 s THR 96 Cb 0.02 -2.60 0.39 0.00 1.34 0.00 0.00 72.50 71.66 2k06 s THR 96 CO 0.84 0.00 1.15 -1.20 -0.54 0.00 0.00 174.62 174.87 2k06 n SER 97 N -0.95 3.10 0.00 3.99 7.64 -1.26 -3.87 113.62 122.28 2k06 n SER 97 Ca -0.05 -2.38 0.00 0.00 1.01 0.00 0.00 58.87 57.45 2k06 n SER 97 Cb 0.66 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2k06 n SER 97 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k06 n ASP 98 N 0.36 2.30 -3.63 6.43 8.00 -1.26 -4.80 116.55 123.95 2k06 n ASP 98 Ca 0.14 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.34 2k06 n ASP 98 Cb 0.65 0.17 -0.12 0.00 -0.02 0.00 0.00 41.12 41.79 2k06 n ASP 98 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2k06 s ARG 99 N -1.49 1.13 0.11 -1.24 1.81 -1.25 -5.00 118.95 113.02 2k06 s ARG 99 Ca 0.00 -1.92 -0.31 0.00 -1.72 0.00 0.00 55.73 51.78 2k06 s ARG 99 Cb 0.00 -2.06 -0.08 0.00 -0.45 0.00 0.00 34.95 32.36 2k06 s ARG 99 CO 0.00 -1.20 1.47 -1.25 -0.68 0.00 0.00 175.30 173.64 2k06 s PRO 100 N 0.41 4.27 0.24 3.54 0.04 -1.26 -3.65 135.00 138.59 2k06 s PRO 100 Ca 0.19 2.17 -0.30 0.00 0.04 0.00 0.00 61.00 63.11 2k06 s PRO 100 Cb -0.21 -3.31 -0.09 0.00 0.04 0.00 0.00 34.50 30.94 2k06 s PRO 100 CO -0.02 -0.54 1.20 0.00 0.04 0.00 0.00 177.00 177.68 2k06 s ALA 101 N 1.47 3.45 0.62 8.56 0.00 -1.26 -4.81 121.76 129.79 2k06 s ALA 101 Ca 0.67 1.01 -0.17 0.00 0.00 0.00 0.00 51.96 53.47 2k06 s ALA 101 Cb -0.38 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.31 2k06 s ALA 101 CO 0.30 -0.38 1.12 -1.25 0.00 0.00 0.00 175.76 175.55 2k06 s PRO 102 N -0.81 2.99 0.18 0.00 0.04 -1.26 -4.77 135.00 131.38 2k06 s PRO 102 Ca 0.50 1.47 0.08 0.00 0.04 0.00 0.00 61.00 63.10 2k06 s PRO 102 Cb -0.34 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2k06 s PRO 102 CO 0.41 -1.11 -0.04 0.96 0.04 0.00 0.00 177.00 177.25 2k06 s ILE 103 N -2.13 3.46 0.50 0.56 -4.36 -1.24 -5.06 121.20 112.92 2k06 s ILE 103 Ca 0.69 -1.57 -0.22 0.00 -0.26 0.00 0.00 60.65 59.29 2k06 s ILE 103 Cb -0.22 -2.74 -0.06 0.00 1.25 0.00 0.00 42.46 40.69 2k06 s ILE 103 CO 0.36 -0.13 1.26 -0.44 0.24 0.00 0.00 174.94 176.23 2k06 s SER 104 N -2.95 5.76 0.25 4.36 0.01 -1.26 -4.57 113.70 115.29 2k06 s SER 104 Ca 0.27 2.53 -0.05 0.00 1.31 0.00 0.00 55.95 60.00 2k06 s SER 104 Cb -0.09 -2.62 0.32 0.00 0.21 0.00 0.00 66.02 63.84 2k06 s SER 104 CO 0.17 -1.22 1.88 0.44 0.41 0.00 0.00 173.24 174.92 2k06 h ASP 105 N 1.79 0.96 -0.70 2.44 3.32 -1.99 -1.74 116.42 120.51 2k06 h ASP 105 Ca -0.50 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.59 2k06 h ASP 105 Cb 1.27 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.57 2k06 h ASP 105 CO 0.59 0.64 0.42 0.50 -1.72 0.00 0.00 179.24 179.68 2k06 h LYS 106 N 1.12 0.79 -0.78 3.56 3.64 -2.01 -1.67 116.57 121.21 2k06 h LYS 106 Ca 0.38 -0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.85 2k06 h LYS 106 Cb 0.07 -0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 31.61 2k06 h LYS 106 CO -0.14 0.52 0.35 1.49 -2.27 0.00 0.00 179.45 179.40 2k06 h GLU 107 N 0.81 0.49 -0.91 1.90 4.81 -1.68 0.18 114.58 120.18 2k06 h GLU 107 Ca 0.29 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.56 2k06 h GLU 107 Cb 0.08 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.29 2k06 h GLU 107 CO -0.13 0.33 0.59 0.28 -0.73 0.00 0.00 179.01 179.34 2k06 h VAL 108 N 0.51 1.05 -0.08 0.32 2.07 -1.19 -0.03 116.25 118.90 2k06 h VAL 108 Ca 0.43 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 67.50 2k06 h VAL 108 Cb 0.62 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2k06 h VAL 108 CO -0.38 0.19 -0.39 0.44 0.02 0.00 0.00 177.57 177.45 2k06 h ASP 109 N 1.02 0.18 -0.64 0.57 3.32 -0.53 -2.89 116.42 117.47 2k06 h ASP 109 Ca 0.40 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.35 2k06 h ASP 109 Cb 0.23 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2k06 h ASP 109 CO -0.15 0.56 0.27 0.00 -1.72 0.00 0.00 179.24 178.20 2k06 h ALA 110 N 1.45 0.82 -0.14 3.45 0.00 -0.03 -1.22 119.26 123.59 2k06 h ALA 110 Ca 0.01 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.81 2k06 h ALA 110 Cb 0.76 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 2k06 h ALA 110 CO 0.06 0.42 -0.25 0.82 0.00 0.00 0.00 179.25 180.30 2k06 h ILE 111 N 0.89 0.39 -0.57 0.00 2.04 -1.23 0.85 117.51 119.88 2k06 h ILE 111 Ca 0.21 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.04 2k06 h ILE 111 Cb 0.17 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2k06 h ILE 111 CO -0.02 0.00 0.22 0.24 0.00 0.00 0.00 178.15 178.59 2k06 h MET 112 N -0.31 0.83 -0.72 2.37 2.86 -1.54 -2.08 114.93 116.34 2k06 h MET 112 Ca 0.10 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 2k06 h MET 112 Cb 0.47 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 2k06 h MET 112 CO -0.32 0.68 0.42 -0.91 1.06 0.00 0.00 176.91 177.84 2k06 h ASN 113 N 0.82 0.86 -0.95 1.22 2.35 0.14 -1.97 115.58 118.06 2k06 h ASN 113 Ca 0.19 -0.05 0.10 0.00 -0.55 0.00 0.00 56.30 55.99 2k06 h ASN 113 Cb 0.17 -0.22 -0.08 0.00 0.05 0.00 0.00 38.32 38.24 2k06 h ASN 113 CO -0.02 0.68 0.58 0.03 -1.65 0.00 0.00 177.43 177.05 2k06 h ARG 114 N 0.99 0.93 -0.98 0.81 3.08 -0.17 -0.19 114.38 118.85 2k06 h ARG 114 Ca 0.26 -0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.37 2k06 h ARG 114 Cb -0.02 -0.21 -0.08 0.00 0.08 0.00 0.00 29.97 29.74 2k06 h ARG 114 CO -0.05 0.62 0.60 -0.07 -1.07 0.00 0.00 179.97 180.00 2k06 h LEU 115 N 0.96 0.88 -1.35 3.04 3.38 -1.36 0.15 115.31 121.01 2k06 h LEU 115 Ca 0.46 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.42 2k06 h LEU 115 Cb 0.40 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2k06 h LEU 115 CO -0.25 0.47 -0.21 -0.61 0.09 0.00 0.00 178.44 177.93 2k06 h GLN 116 N 0.95 0.17 -6.81 1.13 5.75 -1.07 -3.42 115.11 111.82 2k06 h GLN 116 Ca 0.48 -0.05 -0.53 0.00 -0.15 0.00 0.00 58.65 58.41 2k06 h GLN 116 Cb 0.48 -0.02 0.06 0.00 1.07 0.00 0.00 27.48 29.08 2k06 h GLN 116 CO -0.27 0.38 0.72 -1.14 -2.65 0.00 0.00 178.83 175.87 2k06 s GLN 117 N -4.56 4.28 -0.02 1.69 0.74 0.53 -5.01 119.66 117.31 2k06 s GLN 117 Ca -0.05 2.29 0.08 0.00 0.05 0.00 0.00 55.36 57.73 2k06 s GLN 117 Cb 0.15 -3.09 -0.02 0.00 1.10 0.00 0.00 33.01 31.15 2k06 s GLN 117 CO 0.73 -0.35 -0.25 0.08 -0.55 0.00 0.00 175.29 174.95 2k06 s VAL 118 N -0.49 2.10 0.40 1.34 1.01 -1.26 -4.99 120.40 118.51 2k06 s VAL 118 Ca 0.55 -1.10 0.13 0.00 0.00 0.00 0.00 61.98 61.56 2k06 s VAL 118 Cb -0.41 -1.73 0.34 0.00 0.00 0.00 0.00 36.38 34.58 2k06 s VAL 118 CO 0.48 0.57 1.91 1.23 0.00 0.00 0.00 175.10 179.29 2k06 h GLY 119 N 5.45 0.85 -6.40 4.51 0.00 -1.97 -3.33 103.07 102.18 2k06 h GLY 119 Ca -0.43 -0.22 -0.47 0.00 0.00 0.00 0.00 47.33 46.21 2k06 h GLY 119 CO 0.47 0.08 -0.78 -0.35 0.00 0.00 0.00 176.54 175.96 2k06 s ASP 120 N -5.92 1.82 -0.28 0.19 2.15 -1.26 -5.08 116.67 108.30 2k06 s ASP 120 Ca -0.09 -1.98 -0.00 0.00 0.43 0.00 0.00 52.55 50.91 2k06 s ASP 120 Cb 0.21 0.12 0.16 0.00 -0.30 0.00 0.00 42.92 43.12 2k06 s ASP 120 CO 0.77 -0.26 0.47 -0.75 -0.17 0.00 0.00 175.17 175.23 2k06 s LYS 121 N 1.12 0.45 0.43 4.34 2.47 -1.25 -5.01 119.74 122.30 2k06 s LYS 121 Ca 0.19 0.58 0.30 0.00 -1.56 0.00 0.00 55.97 55.48 2k06 s LYS 121 Cb -0.16 -0.05 1.21 0.00 -1.46 0.00 0.00 37.83 37.36 2k06 s LYS 121 CO -0.03 -0.77 1.87 -1.00 0.16 0.00 0.00 175.35 175.58 2k06 h PRO 122 N 8.10 0.00 0.00 4.03 0.13 -1.98 -3.46 132.00 138.83 2k06 h PRO 122 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2k06 h PRO 122 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2k06 h PRO 122 CO 0.25 0.00 0.00 -2.13 -0.23 0.00 0.00 178.00 175.89