#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 0.50 -3.01 7.83 0.87 -2.14 -3.40 113.55 114.20 2k06 h SER 2 Ca 0.00 -0.01 -0.67 0.00 -1.23 0.00 0.00 61.79 59.88 2k06 h SER 2 Cb 0.00 -0.13 -0.11 0.00 -0.44 0.00 0.00 62.40 61.72 2k06 h SER 2 CO 0.00 0.36 -0.55 -0.70 -0.53 0.00 0.00 176.83 175.42 2k06 s GLU 3 N -5.52 3.34 0.20 2.24 2.12 -1.26 -5.11 118.70 114.72 2k06 s GLU 3 Ca -0.08 -0.27 0.08 0.00 0.36 0.00 0.00 54.97 55.05 2k06 s GLU 3 Cb 0.17 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 31.48 2k06 s GLU 3 CO 0.74 0.67 -0.15 0.00 -0.54 0.00 0.00 175.26 175.98 2k06 s ALA 4 N -0.76 2.03 0.38 6.30 0.00 -1.26 -5.13 121.76 123.32 2k06 s ALA 4 Ca 0.13 -1.66 -0.26 0.00 0.00 0.00 0.00 51.96 50.17 2k06 s ALA 4 Cb -0.12 -0.09 -0.09 0.00 0.00 0.00 0.00 23.12 22.82 2k06 s ALA 4 CO 0.03 0.08 1.19 -1.25 0.00 0.00 0.00 175.76 175.81 2k06 s PRO 5 N -3.60 4.15 0.25 0.00 0.04 -1.26 -5.03 135.00 129.55 2k06 s PRO 5 Ca 0.22 1.92 -0.13 0.00 0.04 0.00 0.00 61.00 63.05 2k06 s PRO 5 Cb -0.01 -2.79 -0.08 0.00 0.04 0.00 0.00 34.50 31.66 2k06 s PRO 5 CO 0.07 -0.26 0.63 0.15 0.04 0.00 0.00 177.00 177.63 2k06 s LYS 6 N -2.13 3.96 -0.06 4.56 1.02 -1.26 -5.08 119.74 120.75 2k06 s LYS 6 Ca 0.55 0.52 0.01 0.00 0.02 0.00 0.00 55.97 57.07 2k06 s LYS 6 Cb -0.33 -2.65 0.02 0.00 -0.52 0.00 0.00 37.83 34.35 2k06 s LYS 6 CO 0.42 0.30 -0.07 -1.59 -0.92 0.00 0.00 175.35 173.49 2k06 s LYS 7 N -2.62 1.16 0.08 1.68 -2.85 -1.26 -4.77 119.74 111.17 2k06 s LYS 7 Ca 0.47 -0.21 0.03 0.00 -1.00 0.00 0.00 55.97 55.27 2k06 s LYS 7 Cb -0.12 -1.10 -0.03 0.00 -2.06 0.00 0.00 37.83 34.52 2k06 s LYS 7 CO 0.19 -0.07 -0.10 1.03 0.10 0.00 0.00 175.35 176.50 2k06 s ARG 8 N 0.96 0.77 -0.15 1.78 0.52 -1.24 -4.97 118.95 116.63 2k06 s ARG 8 Ca -0.10 -1.04 -0.07 0.00 -0.52 0.00 0.00 55.73 54.00 2k06 s ARG 8 Cb -0.15 -0.50 -0.04 0.00 0.52 0.00 0.00 34.95 34.78 2k06 s ARG 8 CO 0.00 0.08 0.11 -1.58 0.02 0.00 0.00 175.30 173.94 2k06 s TRP 9 N -2.08 3.44 0.12 -0.53 0.52 -1.26 0.49 118.94 119.65 2k06 s TRP 9 Ca 0.01 0.37 0.09 0.00 0.02 0.00 0.00 56.10 56.58 2k06 s TRP 9 Cb -0.05 -2.00 -0.04 0.00 -1.15 0.00 0.00 33.47 30.23 2k06 s TRP 9 CO 0.00 0.50 -0.21 0.71 0.02 0.00 0.00 176.95 177.97 2k06 s TYR 10 N -0.43 1.85 -0.13 -1.98 2.02 0.07 -3.87 117.35 114.87 2k06 s TYR 10 Ca 0.11 -0.43 -0.07 0.00 -0.37 0.00 0.00 57.07 56.31 2k06 s TYR 10 Cb -0.12 -0.98 -0.04 0.00 -0.40 0.00 0.00 41.96 40.42 2k06 s TYR 10 CO 0.02 0.26 0.12 0.08 -1.57 0.00 0.00 175.55 174.45 2k06 s VAL 11 N -1.42 5.30 -0.13 0.71 1.01 -1.26 -0.36 120.40 124.24 2k06 s VAL 11 Ca 0.10 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.22 2k06 s VAL 11 Cb -0.09 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 2k06 s VAL 11 CO 0.05 0.58 -0.14 -0.69 0.00 0.00 0.00 175.10 174.90 2k06 s VAL 12 N -0.72 2.88 -0.16 2.92 1.01 0.41 -2.87 120.40 123.87 2k06 s VAL 12 Ca 0.13 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.25 2k06 s VAL 12 Cb -0.12 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 2k06 s VAL 12 CO 0.03 0.52 0.32 -1.58 0.00 0.00 0.00 175.10 174.39 2k06 s GLN 13 N 0.48 4.27 0.30 2.72 0.74 0.08 -0.65 119.66 127.60 2k06 s GLN 13 Ca -0.10 0.14 -0.00 0.00 0.05 0.00 0.00 55.36 55.45 2k06 s GLN 13 Cb -0.16 -3.43 0.00 0.00 1.10 0.00 0.00 33.01 30.52 2k06 s GLN 13 CO 0.05 0.22 0.39 0.00 -0.55 0.00 0.00 175.29 175.40 2k06 n ALA 14 N 3.61 -0.17 -2.16 1.58 0.00 -0.88 0.12 120.51 122.61 2k06 n ALA 14 Ca -0.11 -1.42 -0.41 0.00 0.00 0.00 0.00 53.44 51.50 2k06 n ALA 14 Cb 0.52 1.15 -0.04 0.00 0.00 0.00 0.00 19.45 21.08 2k06 n ALA 14 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2k06 s PHE 15 N -3.21 3.54 0.38 0.00 0.08 -1.25 -3.77 117.98 113.74 2k06 s PHE 15 Ca 0.26 1.52 -0.27 0.00 0.12 0.00 0.00 56.93 58.55 2k06 s PHE 15 Cb -0.00 -3.32 -0.11 0.00 -0.57 0.00 0.00 43.02 39.01 2k06 s PHE 15 CO 0.19 -0.80 1.38 0.43 -0.10 0.00 0.00 175.22 176.31 2k06 n SER 16 N 2.77 3.19 0.00 1.36 7.64 -1.26 -1.33 113.62 125.99 2k06 n SER 16 Ca 0.04 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.12 2k06 n SER 16 Cb 0.46 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 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 3.01 0.64 0.23 0.00 -1.26 -4.73 105.19 103.71 2k06 n GLY 17 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.91 0.56 -0.21 1.61 3.72 -0.44 -4.65 117.46 117.13 2k06 n PHE 18 Ca 0.00 -0.64 0.00 0.00 -0.05 0.00 0.00 57.45 56.76 2k06 n PHE 18 Cb 0.00 -0.13 0.11 0.00 -0.94 0.00 0.00 39.48 38.53 2k06 n PHE 18 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2k06 h GLU 19 N 1.69 0.44 -0.43 -1.08 5.08 -1.82 -1.25 114.58 117.21 2k06 h GLU 19 Ca 0.00 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 2k06 h GLU 19 Cb 0.95 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2k06 h GLU 19 CO 0.07 0.29 -0.08 0.78 -1.00 0.00 0.00 179.01 179.07 2k06 h GLY 20 N 0.45 0.88 0.22 -3.84 0.00 -1.92 -3.01 103.07 95.85 2k06 h GLY 20 Ca 0.32 -0.71 0.05 0.00 0.00 0.00 0.00 47.33 46.98 2k06 h GLY 20 CO -0.30 0.65 -0.29 -0.09 0.00 0.00 0.00 176.54 176.51 2k06 h ARG 21 N 0.64 -0.36 -0.99 4.80 2.43 -1.57 0.15 114.38 119.47 2k06 h ARG 21 Ca 0.11 0.02 0.23 0.00 -0.81 0.00 0.00 59.98 59.54 2k06 h ARG 21 Cb 0.60 0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 30.14 2k06 h ARG 21 CO 0.04 -0.24 0.63 0.28 -1.51 0.00 0.00 179.97 179.17 2k06 h VAL 22 N -0.38 0.61 -0.48 0.20 2.07 -1.27 0.52 116.25 117.53 2k06 h VAL 22 Ca 0.09 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 2k06 h VAL 22 Cb 0.52 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2k06 h VAL 22 CO -0.32 0.09 0.03 0.00 0.02 0.00 0.00 177.57 177.39 2k06 h ALA 23 N 1.63 1.15 -0.72 1.67 0.00 -0.63 -2.54 119.26 119.82 2k06 h ALA 23 Ca 0.56 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.26 2k06 h ALA 23 Cb 1.24 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 2k06 h ALA 23 CO -0.30 0.55 0.46 1.15 0.00 0.00 0.00 179.25 181.11 2k06 h THR 24 N 0.73 1.11 -0.91 0.00 2.02 0.11 -1.61 112.91 114.36 2k06 h THR 24 Ca 0.15 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 67.05 2k06 h THR 24 Cb 0.40 0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.89 2k06 h THR 24 CO 0.01 0.16 0.59 0.28 0.37 0.00 0.00 175.52 176.94 2k06 h SER 25 N 0.90 0.99 -0.70 4.18 0.02 -1.13 -1.86 113.55 115.95 2k06 h SER 25 Ca 0.29 -0.01 0.11 0.00 -0.84 0.00 0.00 61.79 61.34 2k06 h SER 25 Cb -0.00 -0.23 -0.08 0.00 0.14 0.00 0.00 62.40 62.24 2k06 h SER 25 CO -0.10 0.68 0.31 -0.07 -1.14 0.00 0.00 176.83 176.51 2k06 h LEU 26 N 1.15 0.35 -0.85 5.07 3.38 -1.11 0.19 115.31 123.50 2k06 h LEU 26 Ca 0.36 0.08 0.14 0.00 0.09 0.00 0.00 57.88 58.55 2k06 h LEU 26 Cb -0.01 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.69 2k06 h LEU 26 CO -0.12 0.18 0.44 -0.09 0.09 0.00 0.00 178.44 178.95 2k06 h ARG 27 N 0.51 0.63 0.20 1.13 2.43 -1.13 1.55 114.38 119.69 2k06 h ARG 27 Ca 0.36 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.48 2k06 h ARG 27 Cb 0.45 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2k06 h ARG 27 CO -0.32 0.42 -0.09 0.93 -1.51 0.00 0.00 179.97 179.39 2k06 h GLU 28 N 0.65 -0.26 -0.90 0.20 4.39 -0.95 0.54 114.58 118.25 2k06 h GLU 28 Ca 0.46 0.02 0.12 0.00 0.34 0.00 0.00 59.36 60.29 2k06 h GLU 28 Cb 0.62 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.26 2k06 h GLU 28 CO -0.35 -0.00 0.58 0.45 -1.16 0.00 0.00 179.01 178.53 2k06 h HIS 29 N -1.02 0.93 0.06 4.33 3.86 -0.45 1.50 115.15 124.38 2k06 h HIS 29 Ca -0.03 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2k06 h HIS 29 Cb 0.37 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.54 2k06 h HIS 29 CO 0.04 0.39 -0.03 0.82 0.86 0.00 0.00 177.93 180.01 2k06 h ILE 30 N 0.83 0.93 -0.83 2.45 2.04 0.22 -0.09 117.51 123.06 2k06 h ILE 30 Ca 0.44 -1.50 0.01 0.00 1.00 0.00 0.00 64.86 64.80 2k06 h ILE 30 Cb 0.52 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 2k06 h ILE 30 CO -0.20 0.29 0.55 0.50 0.00 0.00 0.00 178.15 179.29 2k06 h LYS 31 N -0.95 1.09 0.10 2.37 3.64 0.41 2.21 116.57 125.45 2k06 h LYS 31 Ca -0.01 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2k06 h LYS 31 Cb 0.54 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2k06 h LYS 31 CO 0.01 0.72 -0.05 -0.07 -2.27 0.00 0.00 179.45 177.80 2k06 h LEU 32 N 1.13 -0.11 -0.12 5.20 3.38 0.20 -3.01 115.31 121.99 2k06 h LEU 32 Ca 0.31 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2k06 h LEU 32 Cb -0.13 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2k06 h LEU 32 CO -0.07 0.40 0.00 1.41 0.09 0.00 0.00 178.44 180.27 2k06 n HIS 33 N -4.91 0.00 -3.38 1.13 8.25 -0.05 -4.90 115.22 111.37 2k06 n HIS 33 Ca -0.08 -0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.21 2k06 n HIS 33 Cb 0.27 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.82 -2.71 -0.94 0.41 5.03 0.69 -4.90 115.26 112.02 2k06 n ASN 34 Ca 0.22 -0.62 0.12 0.00 0.87 0.00 0.00 54.58 55.16 2k06 n ASN 34 Cb 0.13 -5.06 0.10 0.00 -1.02 0.00 0.00 39.78 33.94 2k06 n ASN 34 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 2k06 n MET 35 N -3.94 2.28 -0.36 3.52 2.81 0.22 -4.41 117.12 117.24 2k06 n MET 35 Ca -0.25 -1.89 0.26 0.00 -1.81 0.00 0.00 57.70 54.01 2k06 n MET 35 Cb 0.66 -1.46 0.52 0.00 -0.71 0.00 0.00 33.22 32.23 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 4.60 0.30 -0.72 0.03 5.08 -1.85 0.58 114.58 122.61 2k06 h GLU 36 Ca 0.00 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.45 2k06 h GLU 36 Cb 0.98 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.09 2k06 h GLU 36 CO 0.00 0.20 0.33 0.22 -1.00 0.00 0.00 179.01 178.75 2k06 h ASP 37 N 0.31 0.38 -0.03 1.42 3.58 -1.95 -2.34 116.42 117.80 2k06 h ASP 37 Ca 0.71 0.08 -0.08 0.00 0.42 0.00 0.00 57.03 58.16 2k06 h ASP 37 Cb 1.81 0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.89 2k06 h ASP 37 CO -0.46 0.20 -0.28 -0.07 -2.88 0.00 0.00 179.24 175.75 2k06 h LEU 38 N 0.53 0.29 -9.33 2.28 3.38 -0.22 -3.43 115.31 108.81 2k06 h LEU 38 Ca 0.37 -0.72 -0.55 0.00 0.09 0.00 0.00 57.88 57.08 2k06 h LEU 38 Cb 0.46 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2k06 h LEU 38 CO -0.32 0.96 0.68 -0.36 0.09 0.00 0.00 178.44 179.49 2k06 s PHE 39 N -3.37 3.23 -0.02 1.13 0.40 -0.52 -3.68 117.98 115.15 2k06 s PHE 39 Ca -0.15 1.23 -0.03 0.00 -0.60 0.00 0.00 56.93 57.38 2k06 s PHE 39 Cb 0.02 -3.41 -0.01 0.00 0.51 0.00 0.00 43.02 40.13 2k06 s PHE 39 CO 0.75 -1.28 -0.06 0.41 0.70 0.00 0.00 175.22 175.75 2k06 n GLY 40 N 3.34 -0.25 3.08 4.36 0.00 -0.60 -4.71 105.19 110.41 2k06 n GLY 40 Ca 0.11 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 2k06 n GLY 40 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k06 s GLU 41 N -1.44 0.76 0.05 1.61 2.12 -1.26 -4.99 118.70 115.55 2k06 s GLU 41 Ca -0.05 -0.61 0.04 0.00 0.36 0.00 0.00 54.97 54.71 2k06 s GLU 41 Cb 0.01 -0.71 -0.04 0.00 0.26 0.00 0.00 34.13 33.65 2k06 s GLU 41 CO 0.07 0.18 -0.02 0.08 -0.54 0.00 0.00 175.26 175.03 2k06 s VAL 42 N -0.74 3.96 0.15 3.70 1.01 -1.26 -1.01 120.40 126.21 2k06 s VAL 42 Ca -0.00 -0.86 0.10 0.00 0.00 0.00 0.00 61.98 61.21 2k06 s VAL 42 Cb -0.07 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 2k06 s VAL 42 CO 0.01 0.23 -0.22 -0.04 0.00 0.00 0.00 175.10 175.07 2k06 s MET 43 N -1.96 1.32 -0.12 2.72 1.00 0.14 -4.99 119.30 117.41 2k06 s MET 43 Ca 0.22 -1.35 -0.12 0.00 0.00 0.00 0.00 55.69 54.44 2k06 s MET 43 Cb -0.12 -1.60 0.03 0.00 0.00 0.00 0.00 34.83 33.15 2k06 s MET 43 CO 0.14 0.36 0.34 0.08 0.00 0.00 0.00 175.02 175.94 2k06 s VAL 44 N -1.48 0.01 -1.79 -6.03 1.01 -1.26 -3.51 120.40 107.34 2k06 s VAL 44 Ca 0.14 -0.06 0.13 0.00 0.00 0.00 0.00 61.98 62.20 2k06 s VAL 44 Cb -0.08 -0.50 0.33 0.00 0.00 0.00 0.00 36.38 36.13 2k06 s VAL 44 CO 0.07 -0.03 1.28 -0.81 0.00 0.00 0.00 175.10 175.60 2k06 n PRO 45 N 2.70 0.34 -3.78 2.72 -0.04 -1.26 -4.63 135.00 131.05 2k06 n PRO 45 Ca -0.14 0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.25 2k06 n PRO 45 Cb 0.57 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.21 -0.01 -0.09 0.52 -1.32 -1.26 -4.67 115.64 106.59 2k06 s THR 46 Ca 0.18 0.04 -0.01 0.00 -1.21 0.00 0.00 61.69 60.69 2k06 s THR 46 Cb 0.09 -0.32 -0.03 0.00 -1.51 0.00 0.00 72.50 70.73 2k06 s THR 46 CO 0.17 0.02 -0.05 -1.61 -2.21 0.00 0.00 174.62 170.94 2k06 s GLU 47 N 0.43 3.01 -0.39 7.08 2.02 -1.26 -4.77 118.70 124.82 2k06 s GLU 47 Ca -0.03 -0.51 -0.31 0.00 0.02 0.00 0.00 54.97 54.14 2k06 s GLU 47 Cb -0.04 -2.70 0.05 0.00 0.10 0.00 0.00 34.13 31.53 2k06 s GLU 47 CO -0.02 0.57 0.56 0.39 0.02 0.00 0.00 175.26 176.79 2k06 n GLU 48 N 2.51 -1.84 -4.20 1.61 -0.58 -1.26 -4.98 120.64 111.90 2k06 n GLU 48 Ca -0.18 1.48 -0.16 0.00 -0.42 0.00 0.00 57.16 57.88 2k06 n GLU 48 Cb 0.53 -2.49 -0.14 0.00 -0.57 0.00 0.00 31.44 28.76 2k06 n GLU 48 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2k06 s VAL 49 N -1.57 0.48 0.02 2.62 0.11 -1.26 -5.15 120.40 115.66 2k06 s VAL 49 Ca 0.31 -0.29 0.08 0.00 -2.93 0.00 0.00 61.98 59.16 2k06 s VAL 49 Cb -0.04 -0.41 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 2k06 s VAL 49 CO 0.76 0.12 -0.23 -0.69 -3.33 0.00 0.00 175.10 171.73 2k06 s VAL 50 N -0.18 2.40 0.01 2.04 1.01 -1.26 -5.06 120.40 119.36 2k06 s VAL 50 Ca 0.02 -1.21 -0.05 0.00 0.00 0.00 0.00 61.98 60.74 2k06 s VAL 50 Cb -0.03 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 2k06 s VAL 50 CO -0.00 0.42 1.02 -0.08 0.00 0.00 0.00 175.10 176.47 2k06 h GLU 51 N 4.92 -0.17 -0.56 2.72 4.81 -1.93 -1.53 114.58 122.83 2k06 h GLU 51 Ca -0.46 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 58.89 2k06 h GLU 51 Cb 1.14 0.04 -0.11 0.00 0.63 0.00 0.00 28.75 30.45 2k06 h GLU 51 CO 0.46 -0.11 -0.28 0.82 -0.73 0.00 0.00 179.01 179.17 2k06 h ILE 52 N -0.18 0.24 -0.78 2.32 2.04 -2.02 0.13 117.51 119.26 2k06 h ILE 52 Ca -0.02 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.01 2k06 h ILE 52 Cb 0.13 0.24 -0.15 0.00 -0.74 0.00 0.00 36.82 36.31 2k06 h ILE 52 CO 0.03 0.00 -0.15 -0.09 0.00 0.00 0.00 178.15 177.94 2k06 h ARG 53 N -0.14 0.02 0.00 2.37 2.43 -1.97 -3.45 114.38 113.64 2k06 h ARG 53 Ca 0.24 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2k06 h ARG 53 Cb 0.53 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2k06 h ARG 53 CO -0.64 0.01 0.00 0.41 -1.51 0.00 0.00 179.97 178.24 2k06 n GLY 54 N -1.50 2.50 3.13 2.80 0.00 0.46 -4.29 105.19 108.30 2k06 n GLY 54 Ca 0.12 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 2k06 n GLY 54 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k06 s GLY 55 N 0.00 1.94 0.27 -0.02 0.00 -1.26 -4.78 107.32 103.47 2k06 s GLY 55 Ca 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 44.72 42.35 2k06 s GLY 55 CO 0.00 0.96 1.74 -1.61 0.00 0.00 0.00 173.10 174.18 2k06 h GLN 56 N 8.03 0.63 -0.60 2.90 4.15 -1.91 -2.85 115.11 125.47 2k06 h GLN 56 Ca -0.15 -0.20 0.05 0.00 0.77 0.00 0.00 58.65 59.12 2k06 h GLN 56 Cb 1.05 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.64 2k06 h GLN 56 CO 0.66 0.75 0.34 0.00 -1.93 0.00 0.00 178.83 178.64 2k06 h ARG 57 N 0.57 0.62 -3.30 1.69 3.08 -1.93 -3.44 114.38 111.68 2k06 h ARG 57 Ca 0.10 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.98 2k06 h ARG 57 Cb 0.57 -0.14 -0.21 0.00 0.08 0.00 0.00 29.97 30.27 2k06 h ARG 57 CO 0.04 0.41 -0.40 1.03 -1.07 0.00 0.00 179.97 179.98 2k06 s ARG 58 N -6.11 0.55 0.22 0.04 0.52 -1.07 -5.04 118.95 108.06 2k06 s ARG 58 Ca -0.13 -0.28 -0.08 0.00 -0.52 0.00 0.00 55.73 54.72 2k06 s ARG 58 Cb 0.15 0.24 0.36 0.00 0.52 0.00 0.00 34.95 36.21 2k06 s ARG 58 CO 0.75 -0.14 1.70 -0.22 0.02 0.00 0.00 175.30 177.41 2k06 h LYS 59 N 4.17 0.26 -7.11 3.54 3.64 -1.85 -3.38 116.57 115.83 2k06 h LYS 59 Ca -0.30 -0.02 -0.49 0.00 -1.27 0.00 0.00 60.65 58.58 2k06 h LYS 59 Cb 1.19 -0.06 0.21 0.00 -0.41 0.00 0.00 32.23 33.16 2k06 h LYS 59 CO 0.40 0.17 -0.06 -1.13 -2.27 0.00 0.00 179.45 176.56 2k06 n SER 60 N -5.14 -0.92 -4.01 4.20 3.41 -1.26 -4.54 113.62 105.36 2k06 n SER 60 Ca 0.11 0.16 -0.18 0.00 -0.26 0.00 0.00 58.87 58.69 2k06 n SER 60 Cb 0.37 -1.33 -0.15 0.00 -0.26 0.00 0.00 64.21 62.85 2k06 n SER 60 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2k06 s GLU 61 N -4.34 0.68 0.05 4.33 2.02 -1.26 -4.34 118.70 115.85 2k06 s GLU 61 Ca 0.65 -0.31 0.08 0.00 0.02 0.00 0.00 54.97 55.41 2k06 s GLU 61 Cb -0.23 -0.65 -0.03 0.00 0.10 0.00 0.00 34.13 33.32 2k06 s GLU 61 CO 0.62 0.18 -0.23 1.03 0.02 0.00 0.00 175.26 176.88 2k06 s ARG 62 N -0.24 1.52 -0.01 1.61 0.52 -1.26 -5.08 118.95 116.01 2k06 s ARG 62 Ca 0.03 -1.04 0.02 0.00 -0.52 0.00 0.00 55.73 54.22 2k06 s ARG 62 Cb -0.03 -1.69 0.00 0.00 0.52 0.00 0.00 34.95 33.75 2k06 s ARG 62 CO -0.00 0.43 -0.05 0.15 0.02 0.00 0.00 175.30 175.84 2k06 s LYS 63 N -1.29 0.54 -0.03 3.54 1.02 -1.26 -5.09 119.74 117.16 2k06 s LYS 63 Ca 0.09 -0.17 0.01 0.00 0.02 0.00 0.00 55.97 55.93 2k06 s LYS 63 Cb -0.09 -0.54 -0.03 0.00 -0.52 0.00 0.00 37.83 36.64 2k06 s LYS 63 CO 0.02 0.06 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.41 2k06 s PHE 64 N 0.17 2.97 -0.90 3.18 0.08 -1.26 -4.68 117.98 117.54 2k06 s PHE 64 Ca -0.02 0.03 -0.07 0.00 0.12 0.00 0.00 56.93 56.99 2k06 s PHE 64 Cb -0.06 -1.68 -0.01 0.00 -0.57 0.00 0.00 43.02 40.71 2k06 s PHE 64 CO -0.00 0.38 0.71 1.19 -0.10 0.00 0.00 175.22 177.41 2k06 n PHE 65 N 1.83 -2.35 -2.20 0.36 3.72 -1.26 -4.68 117.46 112.88 2k06 n PHE 65 Ca -0.16 0.82 -0.42 0.00 -0.05 0.00 0.00 57.45 57.63 2k06 n PHE 65 Cb 0.53 -3.51 -0.03 0.00 -0.94 0.00 0.00 39.48 35.53 2k06 n PHE 65 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2k06 s PRO 66 N -4.57 4.32 -1.50 -1.08 0.04 -1.26 -2.60 135.00 128.35 2k06 s PRO 66 Ca 0.17 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2k06 s PRO 66 Cb -0.06 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.14 2k06 s PRO 66 CO 0.83 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 177.82 2k06 n GLY 67 N 3.51 0.81 2.91 0.56 0.00 -1.25 -4.80 105.19 106.93 2k06 n GLY 67 Ca 0.12 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.65 1.61 0.06 1.61 1.51 -1.07 -2.08 117.35 116.34 2k06 s TYR 68 Ca 0.00 -0.90 0.05 0.00 -1.01 0.00 0.00 57.07 55.21 2k06 s TYR 68 Cb 0.00 -1.29 -0.03 0.00 -0.11 0.00 0.00 41.96 40.53 2k06 s TYR 68 CO 0.00 -0.56 -0.14 0.08 -1.11 0.00 0.00 175.55 173.82 2k06 s VAL 69 N 1.67 1.10 -0.10 0.71 1.01 0.17 -4.64 120.40 120.32 2k06 s VAL 69 Ca 0.03 -1.22 0.02 0.00 0.00 0.00 0.00 61.98 60.82 2k06 s VAL 69 Cb -0.14 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 2k06 s VAL 69 CO -0.08 -0.17 -0.17 -0.76 0.00 0.00 0.00 175.10 173.92 2k06 s LEU 70 N -1.57 2.51 -0.03 3.92 1.02 -1.23 0.15 118.68 123.45 2k06 s LEU 70 Ca -0.01 -0.37 0.01 0.00 0.02 0.00 0.00 54.13 53.77 2k06 s LEU 70 Cb -0.09 -1.53 0.03 0.00 0.02 0.00 0.00 46.19 44.61 2k06 s LEU 70 CO 0.02 0.21 -0.01 -0.69 0.02 0.00 0.00 176.35 175.90 2k06 s VAL 71 N 0.07 0.25 0.07 -1.59 1.01 0.52 0.26 120.40 120.99 2k06 s VAL 71 Ca -0.07 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 2k06 s VAL 71 Cb -0.15 -0.33 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 2k06 s VAL 71 CO 0.05 0.16 0.97 -1.58 0.00 0.00 0.00 175.10 174.70 2k06 s GLN 72 N 0.98 4.64 0.00 2.72 0.74 -0.18 -0.75 119.66 127.81 2k06 s GLN 72 Ca -0.10 1.45 0.00 0.00 0.05 0.00 0.00 55.36 56.75 2k06 s GLN 72 Cb -0.14 -3.41 0.00 0.00 1.10 0.00 0.00 33.01 30.56 2k06 s GLN 72 CO -0.01 0.10 0.00 -0.12 -0.55 0.00 0.00 175.29 174.71 2k06 n MET 73 N 3.24 0.00 -3.56 1.67 1.56 0.18 -1.55 117.12 118.66 2k06 n MET 73 Ca 0.04 0.00 -0.38 0.00 -0.27 0.00 0.00 57.70 57.09 2k06 n MET 73 Cb 0.50 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.81 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 5.14 -0.23 1.12 0.11 -1.24 -3.63 120.40 119.67 2k06 s VAL 74 Ca 0.00 0.71 -0.29 0.00 -2.93 0.00 0.00 61.98 59.47 2k06 s VAL 74 Cb 0.00 -3.66 0.01 0.00 -1.53 0.00 0.00 36.38 31.20 2k06 s VAL 74 CO 0.00 0.56 1.09 -0.32 -3.33 0.00 0.00 175.10 173.09 2k06 s MET 75 N -0.84 4.23 0.33 1.54 1.75 -1.26 -4.83 119.30 120.22 2k06 s MET 75 Ca 0.22 1.38 0.05 0.00 -1.25 0.00 0.00 55.69 56.08 2k06 s MET 75 Cb -0.15 -3.68 -0.02 0.00 2.84 0.00 0.00 34.83 33.82 2k06 s MET 75 CO 0.11 -0.68 0.33 0.54 -0.65 0.00 0.00 175.02 174.66 2k06 s ASN 76 N 1.41 1.49 0.27 1.11 4.22 -1.26 -4.97 114.94 117.20 2k06 s ASN 76 Ca 0.46 -1.70 -0.01 0.00 -2.14 0.00 0.00 52.86 49.47 2k06 s ASN 76 Cb -0.16 0.58 0.37 0.00 1.28 0.00 0.00 41.25 43.32 2k06 s ASN 76 CO 0.09 -1.12 1.78 0.44 -2.04 0.00 0.00 177.10 176.24 2k06 h ASP 77 N 2.13 0.73 0.00 3.54 3.32 -1.98 -1.23 116.42 122.93 2k06 h ASP 77 Ca -0.26 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2k06 h ASP 77 Cb 1.23 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.59 2k06 h ASP 77 CO 0.37 0.79 0.00 0.00 -1.72 0.00 0.00 179.24 178.68 2k06 n ALA 78 N -2.47 -0.10 -0.32 3.45 0.00 -1.26 -2.72 120.51 117.09 2k06 n ALA 78 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.57 2k06 n ALA 78 Cb 0.29 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.96 2k06 n ALA 78 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2k06 h SER 79 N 0.00 -0.52 -0.48 0.00 0.02 -1.89 0.51 113.55 111.19 2k06 h SER 79 Ca 0.00 0.26 0.10 0.00 -0.84 0.00 0.00 61.79 61.30 2k06 h SER 79 Cb 0.00 0.46 -0.09 0.00 0.14 0.00 0.00 62.40 62.91 2k06 h SER 79 CO 0.00 -0.29 -0.10 -0.25 -1.14 0.00 0.00 176.83 175.05 2k06 h TRP 80 N 0.04 -0.21 0.00 3.45 7.01 -1.34 0.34 115.95 125.24 2k06 h TRP 80 Ca 0.52 0.04 -0.05 0.00 2.11 0.00 0.00 58.89 61.52 2k06 h TRP 80 Cb 0.98 0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 28.20 2k06 h TRP 80 CO -0.52 -0.19 -0.22 1.25 -2.79 0.00 0.00 178.44 175.97 2k06 h HIS 81 N 0.02 0.00 0.47 2.65 2.76 0.12 -2.85 115.15 118.32 2k06 h HIS 81 Ca 0.24 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.38 2k06 h HIS 81 Cb 0.36 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.32 2k06 h HIS 81 CO -0.39 0.22 -0.23 1.25 -1.30 0.00 0.00 177.93 177.48 2k06 h LEU 82 N 0.00 -0.54 -0.08 0.26 5.85 0.16 0.51 115.31 121.48 2k06 h LEU 82 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k06 h LEU 82 Cb 0.58 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 2k06 h LEU 82 CO 0.03 -0.36 0.04 0.58 -0.34 0.00 0.00 178.44 178.38 2k06 h VAL 83 N -0.66 1.11 0.00 1.05 2.07 -1.36 -0.46 116.25 118.00 2k06 h VAL 83 Ca -0.06 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 2k06 h VAL 83 Cb 0.50 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2k06 h VAL 83 CO 0.11 0.09 -0.13 0.03 0.02 0.00 0.00 177.57 177.69 2k06 h ARG 84 N 0.01 0.00 0.00 1.57 3.08 -1.43 -0.65 114.38 116.96 2k06 h ARG 84 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2k06 h ARG 84 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2k06 h ARG 84 CO -0.00 0.13 0.00 0.66 -1.07 0.00 0.00 179.97 179.69 2k06 h SER 85 N 0.00 0.00 -3.02 7.04 4.64 0.63 -3.44 113.55 119.40 2k06 h SER 85 Ca -0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 2k06 h SER 85 Cb 0.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 2k06 h SER 85 CO 0.02 0.00 0.74 -0.69 -0.87 0.00 0.00 176.83 176.03 2k06 s VAL 86 N -3.18 3.96 0.76 0.95 1.01 -0.23 -5.00 120.40 118.67 2k06 s VAL 86 Ca 0.08 1.33 -0.11 0.00 0.00 0.00 0.00 61.98 63.29 2k06 s VAL 86 Cb 0.08 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.66 2k06 s VAL 86 CO 0.63 0.01 1.08 -2.16 0.00 0.00 0.00 175.10 174.67 2k06 s PRO 87 N 2.13 2.35 -1.32 2.72 0.04 -1.26 -3.70 135.00 135.96 2k06 s PRO 87 Ca 0.60 1.10 -0.01 0.00 0.04 0.00 0.00 61.00 62.72 2k06 s PRO 87 Cb -0.29 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2k06 s PRO 87 CO 0.25 -1.56 0.16 -2.13 0.04 0.00 0.00 177.00 173.76 2k06 n ARG 88 N -3.46 -2.11 -4.75 4.56 0.63 -1.26 -4.82 116.66 105.45 2k06 n ARG 88 Ca 0.09 0.75 -0.26 0.00 -0.92 0.00 0.00 57.85 57.51 2k06 n ARG 88 Cb 0.53 -5.16 -0.17 0.00 0.45 0.00 0.00 32.46 28.12 2k06 n ARG 88 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2k06 s VAL 89 N -2.88 1.36 0.01 5.15 0.11 -1.24 -3.97 120.40 118.95 2k06 s VAL 89 Ca 0.08 -0.62 -0.22 0.00 -2.93 0.00 0.00 61.98 58.29 2k06 s VAL 89 Cb -0.03 -1.21 -0.17 0.00 -1.53 0.00 0.00 36.38 33.43 2k06 s VAL 89 CO 0.10 0.40 1.26 0.24 -3.33 0.00 0.00 175.10 173.77 2k06 h MET 90 N 6.79 0.28 0.00 1.54 2.86 0.67 -3.47 114.93 123.60 2k06 h MET 90 Ca -0.29 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 2k06 h MET 90 Cb 1.20 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.88 2k06 h MET 90 CO 0.47 0.77 0.00 0.41 1.06 0.00 0.00 176.91 179.62 2k06 n GLY 91 N 0.41 -0.22 3.87 8.32 0.00 -1.03 -4.98 105.19 111.55 2k06 n GLY 91 Ca -0.07 -1.12 -0.21 0.00 0.00 0.00 0.00 46.02 44.61 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 -3.45 3.07 -0.20 1.61 0.08 -1.26 -0.74 117.98 117.09 2k06 s PHE 92 Ca 0.00 -0.18 0.01 0.00 0.12 0.00 0.00 56.93 56.87 2k06 s PHE 92 Cb 0.00 -1.63 0.02 0.00 -0.57 0.00 0.00 43.02 40.84 2k06 s PHE 92 CO 0.00 0.33 -0.17 0.42 -0.10 0.00 0.00 175.22 175.70 2k06 s ILE 93 N -2.19 2.24 0.00 0.64 -1.09 -1.14 -4.82 121.20 114.84 2k06 s ILE 93 Ca 0.37 -1.01 0.00 0.00 -2.23 0.00 0.00 60.65 57.78 2k06 s ILE 93 Cb -0.07 -2.01 0.00 0.00 -1.58 0.00 0.00 42.46 38.79 2k06 s ILE 93 CO 0.27 0.43 0.00 0.61 -1.23 0.00 0.00 174.94 175.01 2k06 n GLY 94 N 4.61 1.64 0.12 6.18 0.00 -1.26 -4.37 105.19 112.11 2k06 n GLY 94 Ca -0.19 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 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 0.35 -1.59 -0.02 0.00 -1.89 -3.45 103.07 96.47 2k06 h GLY 95 Ca 0.00 -0.51 -0.53 0.00 0.00 0.00 0.00 47.33 46.29 2k06 h GLY 95 CO 0.00 0.46 -0.57 -0.51 0.00 0.00 0.00 176.54 175.92 2k06 s THR 96 N -3.52 1.05 -0.77 4.70 -4.23 -1.25 -5.02 115.64 106.60 2k06 s THR 96 Ca -0.14 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.45 2k06 s THR 96 Cb 0.03 -2.60 0.42 0.00 1.34 0.00 0.00 72.50 71.69 2k06 s THR 96 CO 0.77 0.00 1.18 -1.54 -0.54 0.00 0.00 174.62 174.49 2k06 n SER 97 N -0.96 3.34 0.00 3.99 3.41 -1.26 -3.57 113.62 118.57 2k06 n SER 97 Ca -0.05 -2.43 0.00 0.00 -0.26 0.00 0.00 58.87 56.12 2k06 n SER 97 Cb 0.66 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2k06 n SER 97 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2k06 n ASP 98 N 0.37 0.25 -3.15 4.04 8.00 -1.26 -4.86 116.55 119.94 2k06 n ASP 98 Ca 0.14 -0.58 0.04 0.00 0.71 0.00 0.00 54.79 55.11 2k06 n ASP 98 Cb 0.70 0.42 -0.00 0.00 -0.02 0.00 0.00 41.12 42.22 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 -0.42 0.44 -0.22 -1.24 0.52 -1.23 -5.12 118.95 111.67 2k06 s ARG 99 Ca 0.00 0.39 -0.29 0.00 -0.52 0.00 0.00 55.73 55.31 2k06 s ARG 99 Cb 0.00 0.19 -0.03 0.00 0.52 0.00 0.00 34.95 35.63 2k06 s ARG 99 CO 0.00 -0.81 1.69 -1.25 0.02 0.00 0.00 175.30 174.95 2k06 s PRO 100 N 2.83 3.72 0.31 3.54 0.04 -1.26 -3.80 135.00 140.37 2k06 s PRO 100 Ca 0.16 1.69 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 2k06 s PRO 100 Cb -0.07 -4.08 -0.12 0.00 0.04 0.00 0.00 34.50 30.27 2k06 s PRO 100 CO -0.24 -1.40 1.45 0.00 0.04 0.00 0.00 177.00 176.85 2k06 n ALA 101 N 8.81 1.87 -1.57 8.56 0.00 -1.26 -4.87 120.51 132.04 2k06 n ALA 101 Ca 0.20 0.37 -0.33 0.00 0.00 0.00 0.00 53.44 53.68 2k06 n ALA 101 Cb 0.45 -2.36 0.04 0.00 0.00 0.00 0.00 19.45 17.58 2k06 n ALA 101 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2k06 s PRO 102 N -1.19 2.93 0.24 0.00 0.04 -1.26 -4.83 135.00 130.93 2k06 s PRO 102 Ca 0.60 1.44 0.09 0.00 0.04 0.00 0.00 61.00 63.17 2k06 s PRO 102 Cb -0.54 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 2k06 s PRO 102 CO 0.56 -1.15 -0.14 0.96 0.04 0.00 0.00 177.00 177.26 2k06 s ILE 103 N -2.21 1.93 0.48 0.56 -4.36 -1.25 -5.05 121.20 111.30 2k06 s ILE 103 Ca 0.68 -2.25 -0.22 0.00 -0.26 0.00 0.00 60.65 58.61 2k06 s ILE 103 Cb -0.21 -2.21 -0.07 0.00 1.25 0.00 0.00 42.46 41.22 2k06 s ILE 103 CO 0.38 -0.48 1.13 -0.44 0.24 0.00 0.00 174.94 175.77 2k06 s SER 104 N -3.40 6.11 0.32 4.36 0.01 -1.26 -4.47 113.70 115.36 2k06 s SER 104 Ca 0.26 2.19 0.01 0.00 1.31 0.00 0.00 55.95 59.72 2k06 s SER 104 Cb -0.01 -2.59 0.53 0.00 0.21 0.00 0.00 66.02 64.16 2k06 s SER 104 CO 0.10 -0.95 1.91 0.44 0.41 0.00 0.00 173.24 175.15 2k06 h ASP 105 N 1.76 0.71 -0.51 2.44 3.32 -1.99 -1.85 116.42 120.30 2k06 h ASP 105 Ca -0.49 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.46 2k06 h ASP 105 Cb 1.25 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 2k06 h ASP 105 CO 0.59 0.63 0.26 0.50 -1.72 0.00 0.00 179.24 179.51 2k06 h LYS 106 N 0.77 0.76 -0.66 3.56 3.64 -2.00 -2.16 116.57 120.49 2k06 h LYS 106 Ca 0.19 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2k06 h LYS 106 Cb 0.14 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 2k06 h LYS 106 CO -0.02 0.58 0.40 0.93 -2.27 0.00 0.00 179.45 179.07 2k06 h GLU 107 N 0.76 0.89 -0.44 1.90 5.08 -1.71 -1.66 114.58 119.41 2k06 h GLU 107 Ca 0.19 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2k06 h GLU 107 Cb 0.07 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2k06 h GLU 107 CO -0.03 0.63 0.14 0.28 -1.00 0.00 0.00 179.01 179.04 2k06 h VAL 108 N 0.89 1.18 -0.45 3.13 2.07 -1.31 -2.05 116.25 119.71 2k06 h VAL 108 Ca 0.24 -0.60 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 2k06 h VAL 108 Cb -0.03 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2k06 h VAL 108 CO -0.04 0.23 -0.14 0.44 0.02 0.00 0.00 177.57 178.07 2k06 h ASP 109 N 0.62 0.85 -0.41 0.57 3.32 -0.95 -2.88 116.42 117.55 2k06 h ASP 109 Ca 0.15 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 56.88 2k06 h ASP 109 Cb 0.18 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2k06 h ASP 109 CO -0.01 0.99 0.10 0.00 -1.72 0.00 0.00 179.24 178.60 2k06 h ALA 110 N 1.08 0.54 -0.15 3.45 0.00 -0.66 -1.98 119.26 121.54 2k06 h ALA 110 Ca 0.12 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2k06 h ALA 110 Cb 0.65 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 2k06 h ALA 110 CO 0.05 0.22 -0.19 0.82 0.00 0.00 0.00 179.25 180.14 2k06 h ILE 111 N 0.52 0.50 -0.91 0.00 2.04 -1.26 -0.74 117.51 117.67 2k06 h ILE 111 Ca 0.13 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.03 2k06 h ILE 111 Cb 0.31 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.84 2k06 h ILE 111 CO 0.00 0.00 0.59 0.24 0.00 0.00 0.00 178.15 178.99 2k06 h MET 112 N -0.24 1.07 -0.90 2.37 2.86 -1.38 -1.46 114.93 117.25 2k06 h MET 112 Ca 0.10 -0.06 0.14 0.00 -2.06 0.00 0.00 59.70 57.82 2k06 h MET 112 Cb 0.39 -0.24 -0.09 0.00 0.06 0.00 0.00 31.60 31.72 2k06 h MET 112 CO -0.29 0.71 0.50 -0.91 1.06 0.00 0.00 176.91 177.98 2k06 h ASN 113 N 1.10 0.65 -0.67 1.22 2.35 -0.36 0.02 115.58 119.90 2k06 h ASN 113 Ca 0.37 0.08 0.05 0.00 -0.55 0.00 0.00 56.30 56.25 2k06 h ASN 113 Cb 0.08 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.36 2k06 h ASN 113 CO -0.12 0.29 0.39 0.03 -1.65 0.00 0.00 177.43 176.37 2k06 h ARG 114 N 0.72 0.70 -0.81 0.81 3.08 -0.81 -2.10 114.38 115.98 2k06 h ARG 114 Ca 0.48 -0.04 0.17 0.00 0.07 0.00 0.00 59.98 60.66 2k06 h ARG 114 Cb 0.64 -0.16 -0.15 0.00 0.08 0.00 0.00 29.97 30.38 2k06 h ARG 114 CO -0.34 0.46 -0.16 1.25 -1.07 0.00 0.00 179.97 180.12 2k06 h LEU 115 N 0.72 -0.67 -2.23 3.04 5.85 -0.96 1.92 115.31 122.98 2k06 h LEU 115 Ca 0.29 0.24 0.04 0.00 0.84 0.00 0.00 57.88 59.29 2k06 h LEU 115 Cb 0.14 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 2k06 h LEU 115 CO -0.16 -0.26 0.16 1.56 -0.34 0.00 0.00 178.44 179.40 2k06 h GLN 116 N 0.02 0.00 -5.91 1.25 4.20 -1.38 -3.39 115.11 109.90 2k06 h GLN 116 Ca 0.41 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.54 2k06 h GLN 116 Cb 0.65 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.36 2k06 h GLN 116 CO -0.81 0.00 0.27 -1.14 -0.67 0.00 0.00 178.83 176.47 2k06 s GLN 117 N -4.71 4.31 -0.06 1.46 0.74 0.65 -5.04 119.66 117.01 2k06 s GLN 117 Ca -0.05 0.91 0.06 0.00 0.05 0.00 0.00 55.36 56.32 2k06 s GLN 117 Cb 0.16 -3.55 -0.01 0.00 1.10 0.00 0.00 33.01 30.71 2k06 s GLN 117 CO 0.57 -0.22 -0.24 0.08 -0.55 0.00 0.00 175.29 174.93 2k06 s VAL 118 N 1.80 1.99 0.65 1.34 1.01 -1.26 -4.95 120.40 120.98 2k06 s VAL 118 Ca 0.36 -1.02 0.26 0.00 0.00 0.00 0.00 61.98 61.58 2k06 s VAL 118 Cb -0.17 -1.69 0.29 0.00 0.00 0.00 0.00 36.38 34.81 2k06 s VAL 118 CO 0.13 0.55 1.80 1.23 0.00 0.00 0.00 175.10 178.82 2k06 h GLY 119 N 6.20 0.00 -5.23 4.51 0.00 -1.96 -3.38 103.07 103.20 2k06 h GLY 119 Ca -0.30 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.41 2k06 h GLY 119 CO 0.47 0.00 -0.29 0.99 0.00 0.00 0.00 176.54 177.71 2k06 s ASP 120 N -4.44 6.67 -0.68 0.19 1.01 -1.26 -5.03 116.67 113.14 2k06 s ASP 120 Ca -0.03 0.80 0.05 0.00 0.71 0.00 0.00 52.55 54.08 2k06 s ASP 120 Cb 0.09 -2.20 0.21 0.00 1.01 0.00 0.00 42.92 42.04 2k06 s ASP 120 CO 0.31 0.34 0.64 0.29 0.21 0.00 0.00 175.17 176.96 2k06 n LYS 121 N 1.96 2.23 -2.27 8.23 4.76 -1.26 -5.08 118.16 126.73 2k06 n LYS 121 Ca -0.16 -4.60 -0.38 0.00 -2.87 0.00 0.00 58.31 50.31 2k06 n LYS 121 Cb 0.53 -2.28 -0.02 0.00 -1.84 0.00 0.00 35.03 31.43 2k06 n LYS 121 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2k06 s PRO 122 N -2.03 4.02 0.00 1.97 0.04 -1.26 -5.23 135.00 132.51 2k06 s PRO 122 Ca 0.33 1.86 0.31 0.00 0.04 0.00 0.00 61.00 63.54 2k06 s PRO 122 Cb 0.06 -2.66 1.86 0.00 0.04 0.00 0.00 34.50 33.80 2k06 s PRO 122 CO -0.08 -0.35 2.18 -2.13 0.04 0.00 0.00 177.00 176.66