#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 0.00 -3.29 7.83 4.64 -2.14 -3.41 113.55 117.17 2k06 h SER 2 Ca 0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 2k06 h SER 2 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.98 2k06 h SER 2 CO 0.00 0.09 -0.63 -1.61 -0.87 0.00 0.00 176.83 173.80 2k06 s GLU 3 N -4.42 2.74 -0.59 4.77 2.02 -1.26 -5.06 118.70 116.90 2k06 s GLU 3 Ca -0.04 -0.71 0.06 0.00 0.02 0.00 0.00 54.97 54.30 2k06 s GLU 3 Cb 0.14 -2.65 0.21 0.00 0.10 0.00 0.00 34.13 31.93 2k06 s GLU 3 CO 0.59 0.58 0.57 0.00 0.02 0.00 0.00 175.26 177.02 2k06 n ALA 4 N 0.82 3.43 -1.76 5.21 0.00 -1.26 -5.09 120.51 121.85 2k06 n ALA 4 Ca -0.11 -4.24 -0.40 0.00 0.00 0.00 0.00 53.44 48.68 2k06 n ALA 4 Cb 0.52 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.58 4.45 -0.10 0.00 0.04 -1.26 -5.04 135.00 131.52 2k06 s PRO 5 Ca 0.33 1.99 -0.03 0.00 0.04 0.00 0.00 61.00 63.33 2k06 s PRO 5 Cb 0.07 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 2k06 s PRO 5 CO -0.11 -0.02 0.03 0.15 0.04 0.00 0.00 177.00 177.09 2k06 s LYS 6 N -1.69 3.13 -0.02 4.56 1.02 -1.26 -5.10 119.74 120.38 2k06 s LYS 6 Ca 0.48 -0.35 0.05 0.00 0.02 0.00 0.00 55.97 56.16 2k06 s LYS 6 Cb -0.35 -2.89 -0.01 0.00 -0.52 0.00 0.00 37.83 34.05 2k06 s LYS 6 CO 0.46 0.69 -0.16 0.15 -0.92 0.00 0.00 175.35 175.57 2k06 s LYS 7 N -0.84 1.35 0.13 1.68 1.02 -1.26 -4.93 119.74 116.90 2k06 s LYS 7 Ca 0.13 -0.57 0.10 0.00 0.02 0.00 0.00 55.97 55.65 2k06 s LYS 7 Cb -0.12 -1.29 -0.04 0.00 -0.52 0.00 0.00 37.83 35.86 2k06 s LYS 7 CO 0.03 0.33 -0.23 1.03 -0.92 0.00 0.00 175.35 175.58 2k06 s ARG 8 N -0.32 1.56 -0.14 1.68 0.52 -1.26 -4.98 118.95 116.02 2k06 s ARG 8 Ca 0.05 -1.31 -0.09 0.00 -0.52 0.00 0.00 55.73 53.85 2k06 s ARG 8 Cb -0.07 -1.97 -0.05 0.00 0.52 0.00 0.00 34.95 33.39 2k06 s ARG 8 CO -0.00 0.45 0.18 -1.58 0.02 0.00 0.00 175.30 174.37 2k06 s TRP 9 N -1.18 3.53 0.12 -0.53 0.52 -1.26 -1.09 118.94 119.05 2k06 s TRP 9 Ca 0.16 0.51 0.06 0.00 0.02 0.00 0.00 56.10 56.86 2k06 s TRP 9 Cb -0.10 -2.08 -0.04 0.00 -1.15 0.00 0.00 33.47 30.10 2k06 s TRP 9 CO 0.08 0.53 -0.16 0.71 0.02 0.00 0.00 176.95 178.14 2k06 s TYR 10 N -0.42 1.49 -0.14 -1.98 2.02 -1.06 -2.89 117.35 114.37 2k06 s TYR 10 Ca 0.14 -0.51 -0.08 0.00 -0.37 0.00 0.00 57.07 56.25 2k06 s TYR 10 Cb -0.12 -0.78 -0.04 0.00 -0.40 0.00 0.00 41.96 40.61 2k06 s TYR 10 CO 0.03 0.17 0.13 0.08 -1.57 0.00 0.00 175.55 174.39 2k06 s VAL 11 N -1.90 5.46 -0.17 0.71 1.01 -1.26 -1.57 120.40 122.67 2k06 s VAL 11 Ca 0.08 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 2k06 s VAL 11 Cb -0.06 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 2k06 s VAL 11 CO 0.04 0.57 -0.11 -0.69 0.00 0.00 0.00 175.10 174.91 2k06 s VAL 12 N -0.67 2.96 0.16 2.92 1.01 0.35 -2.56 120.40 124.57 2k06 s VAL 12 Ca 0.13 -0.66 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 2k06 s VAL 12 Cb -0.12 -2.28 -0.07 0.00 0.00 0.00 0.00 36.38 33.91 2k06 s VAL 12 CO 0.02 0.49 0.54 -1.10 0.00 0.00 0.00 175.10 175.06 2k06 s GLN 13 N 0.92 3.94 0.15 2.72 -0.21 -0.91 -0.96 119.66 125.31 2k06 s GLN 13 Ca -0.02 0.45 -0.11 0.00 0.02 0.00 0.00 55.36 55.69 2k06 s GLN 13 Cb -0.15 -2.89 0.00 0.00 1.00 0.00 0.00 33.01 30.98 2k06 s GLN 13 CO -0.01 0.45 0.32 0.00 -2.12 0.00 0.00 175.29 173.94 2k06 s ALA 14 N -1.52 -0.32 0.35 6.09 0.00 0.15 0.33 121.76 126.83 2k06 s ALA 14 Ca 0.39 -0.61 -0.28 0.00 0.00 0.00 0.00 51.96 51.46 2k06 s ALA 14 Cb -0.14 0.76 -0.10 0.00 0.00 0.00 0.00 23.12 23.64 2k06 s ALA 14 CO 0.19 -0.65 1.29 -0.06 0.00 0.00 0.00 175.76 176.54 2k06 s PHE 15 N -3.91 3.01 0.52 0.00 0.08 -1.21 -4.35 117.98 112.12 2k06 s PHE 15 Ca 0.12 1.43 -0.22 0.00 0.12 0.00 0.00 56.93 58.37 2k06 s PHE 15 Cb 0.03 -3.65 -0.06 0.00 -0.57 0.00 0.00 43.02 38.76 2k06 s PHE 15 CO -0.04 -1.85 1.27 0.43 -0.10 0.00 0.00 175.22 174.92 2k06 n SER 16 N 0.60 2.32 0.00 1.36 7.64 -1.26 -1.76 113.62 122.52 2k06 n SER 16 Ca 0.01 0.99 0.00 0.00 1.01 0.00 0.00 58.87 60.88 2k06 n SER 16 Cb 0.43 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 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 0.86 2.69 0.60 0.23 0.00 -1.26 -4.67 105.19 103.65 2k06 n GLY 17 Ca 0.10 -0.05 0.05 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 0.00 0.43 0.25 1.61 3.72 -0.72 -4.54 117.46 118.21 2k06 n PHE 18 Ca 0.00 -0.49 0.07 0.00 -0.05 0.00 0.00 57.45 56.98 2k06 n PHE 18 Cb 0.00 -0.03 0.60 0.00 -0.94 0.00 0.00 39.48 39.12 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 1.92 0.00 0.17 -1.08 4.81 -1.78 -0.16 114.58 118.46 2k06 h GLU 19 Ca 0.00 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.92 2k06 h GLU 19 Cb 0.71 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.11 2k06 h GLU 19 CO 0.00 0.05 -1.42 0.78 -0.73 0.00 0.00 179.01 177.70 2k06 h GLY 20 N 0.17 0.40 0.70 1.92 0.00 -1.91 -3.26 103.07 101.09 2k06 h GLY 20 Ca -0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 47.33 46.29 2k06 h GLY 20 CO 0.01 0.90 -0.01 -0.09 0.00 0.00 0.00 176.54 177.35 2k06 h ARG 21 N 0.10 0.10 -0.94 4.80 2.43 -1.66 -2.85 114.38 116.36 2k06 h ARG 21 Ca -0.21 -0.04 0.23 0.00 -0.81 0.00 0.00 59.98 59.15 2k06 h ARG 21 Cb 2.05 -0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 31.47 2k06 h ARG 21 CO 0.21 0.41 0.48 0.28 -1.51 0.00 0.00 179.97 179.84 2k06 h VAL 22 N -0.22 0.51 -0.42 0.20 2.07 -1.18 0.25 116.25 117.46 2k06 h VAL 22 Ca 0.01 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.40 2k06 h VAL 22 Cb 0.37 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 2k06 h VAL 22 CO 0.00 0.09 0.20 0.00 0.02 0.00 0.00 177.57 177.89 2k06 h ALA 23 N 1.71 0.52 -0.61 1.67 0.00 -1.55 -0.56 119.26 120.45 2k06 h ALA 23 Ca 0.59 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.49 2k06 h ALA 23 Cb 1.12 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2k06 h ALA 23 CO -0.50 -0.16 0.26 1.15 0.00 0.00 0.00 179.25 180.00 2k06 h THR 24 N 0.41 1.21 -0.44 0.00 2.02 -0.44 -2.19 112.91 113.48 2k06 h THR 24 Ca 0.18 -0.64 -0.09 0.00 0.77 0.00 0.00 66.41 66.63 2k06 h THR 24 Cb 0.10 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 2k06 h THR 24 CO -0.13 0.26 -0.07 0.77 0.37 0.00 0.00 175.52 176.71 2k06 h SER 25 N 0.87 0.75 0.00 4.18 4.64 -0.24 -2.77 113.55 120.98 2k06 h SER 25 Ca 0.21 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k06 h SER 25 Cb 0.15 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2k06 h SER 25 CO -0.02 0.86 0.00 0.18 -0.87 0.00 0.00 176.83 176.98 2k06 n LEU 26 N -4.18 0.00 -0.32 5.97 4.77 -0.32 -1.10 117.00 121.82 2k06 n LEU 26 Ca 0.02 0.90 0.21 0.00 -0.03 0.00 0.00 56.01 57.11 2k06 n LEU 26 Cb 0.34 -0.40 0.43 0.00 -2.33 0.00 0.00 43.42 41.46 2k06 n LEU 26 CO 0.42 -0.40 1.05 -0.09 -1.33 0.00 0.00 177.39 177.05 2k06 h ARG 27 N 0.00 0.24 -0.84 3.23 2.43 -1.60 1.14 114.38 118.97 2k06 h ARG 27 Ca 0.00 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.25 2k06 h ARG 27 Cb 0.00 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.44 2k06 h ARG 27 CO 0.00 0.16 0.55 1.49 -1.51 0.00 0.00 179.97 180.66 2k06 h GLU 28 N 0.25 0.79 0.00 0.20 4.81 -1.04 -0.09 114.58 119.50 2k06 h GLU 28 Ca 0.69 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.69 2k06 h GLU 28 Cb 1.57 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.74 2k06 h GLU 28 CO -0.65 0.52 -0.89 0.45 -0.73 0.00 0.00 179.01 177.71 2k06 h HIS 29 N 0.81 0.00 -0.38 0.92 3.86 0.29 -2.99 115.15 117.66 2k06 h HIS 29 Ca 0.39 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.53 2k06 h HIS 29 Cb 0.43 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 2k06 h HIS 29 CO -0.00 0.89 -0.04 0.82 0.86 0.00 0.00 177.93 180.46 2k06 h ILE 30 N 0.00 1.27 -0.38 2.45 1.08 0.44 0.61 117.51 122.98 2k06 h ILE 30 Ca -0.01 -1.08 -0.10 0.00 -0.39 0.00 0.00 64.86 63.28 2k06 h ILE 30 Cb 1.65 1.20 -0.02 0.00 -3.07 0.00 0.00 36.82 36.58 2k06 h ILE 30 CO 0.12 0.36 -0.19 0.11 -0.69 0.00 0.00 178.15 177.86 2k06 h LYS 31 N 0.52 0.72 0.18 2.37 1.57 -1.26 0.70 116.57 121.35 2k06 h LYS 31 Ca 0.10 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 2k06 h LYS 31 Cb 0.53 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2k06 h LYS 31 CO 0.03 0.86 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.61 2k06 h LEU 32 N 0.64 -0.20 -0.75 2.94 3.38 -1.36 -3.03 115.31 116.94 2k06 h LEU 32 Ca 0.10 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2k06 h LEU 32 Cb 0.67 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2k06 h LEU 32 CO 0.05 0.28 0.00 1.41 0.09 0.00 0.00 178.44 180.27 2k06 n HIS 33 N -4.98 0.26 -4.11 1.13 8.25 0.19 -4.88 115.22 111.09 2k06 n HIS 33 Ca -0.08 -0.12 -0.30 0.00 -0.26 0.00 0.00 57.72 56.95 2k06 n HIS 33 Cb 0.26 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 31.32 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 0.03 -1.06 -1.49 0.41 3.02 0.20 -4.80 115.26 111.56 2k06 n ASN 34 Ca 0.06 -1.06 0.08 0.00 -0.03 0.00 0.00 54.58 53.63 2k06 n ASN 34 Cb 0.18 -2.71 0.32 0.00 -0.61 0.00 0.00 39.78 36.97 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 -4.42 3.59 -0.10 3.52 2.81 0.12 -4.39 117.12 118.26 2k06 n MET 35 Ca -0.19 -2.56 0.15 0.00 -1.81 0.00 0.00 57.70 53.29 2k06 n MET 35 Cb 0.62 -1.89 0.54 0.00 -0.71 0.00 0.00 33.22 31.78 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 3.60 0.33 -0.27 0.03 4.39 -1.86 0.47 114.58 121.27 2k06 h GLU 36 Ca 0.00 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2k06 h GLU 36 Cb 1.40 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.96 2k06 h GLU 36 CO 0.25 0.22 0.03 -0.44 -1.16 0.00 0.00 179.01 177.91 2k06 h ASP 37 N 0.34 0.44 0.32 1.42 3.32 -1.95 -3.24 116.42 117.07 2k06 h ASP 37 Ca 0.31 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 2k06 h ASP 37 Cb 0.73 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2k06 h ASP 37 CO -0.08 0.60 -0.15 -0.07 -1.72 0.00 0.00 179.24 177.82 2k06 h LEU 38 N 0.26 -0.36 -9.91 1.55 3.38 -1.50 -3.43 115.31 105.29 2k06 h LEU 38 Ca 0.08 -0.18 -0.52 0.00 0.09 0.00 0.00 57.88 57.35 2k06 h LEU 38 Cb 0.36 0.09 0.07 0.00 0.09 0.00 0.00 40.66 41.27 2k06 h LEU 38 CO 0.01 0.04 0.60 -0.36 0.09 0.00 0.00 178.44 178.81 2k06 s PHE 39 N -4.39 2.99 -0.01 1.13 0.40 0.02 -3.64 117.98 114.48 2k06 s PHE 39 Ca -0.14 1.45 -0.01 0.00 -0.60 0.00 0.00 56.93 57.63 2k06 s PHE 39 Cb 0.02 -3.61 -0.00 0.00 0.51 0.00 0.00 43.02 39.93 2k06 s PHE 39 CO 0.51 -1.80 -0.02 0.41 0.70 0.00 0.00 175.22 175.02 2k06 n GLY 40 N 0.74 -0.34 3.24 4.36 0.00 0.39 -4.75 105.19 108.84 2k06 n GLY 40 Ca 0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.12 1.07 -0.05 1.61 2.02 -1.26 -4.92 118.70 116.05 2k06 s GLU 41 Ca -0.02 -1.37 0.05 0.00 0.02 0.00 0.00 54.97 53.66 2k06 s GLU 41 Cb 0.00 0.30 -0.02 0.00 0.10 0.00 0.00 34.13 34.52 2k06 s GLU 41 CO 0.02 -0.35 -0.21 0.08 0.02 0.00 0.00 175.26 174.83 2k06 s VAL 42 N -4.03 2.50 0.15 2.63 1.01 -1.26 -1.37 120.40 120.02 2k06 s VAL 42 Ca 0.24 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.36 2k06 s VAL 42 Cb 0.06 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 2k06 s VAL 42 CO 0.03 0.58 -0.15 -0.04 0.00 0.00 0.00 175.10 175.52 2k06 s MET 43 N -0.50 1.15 -0.10 2.72 1.00 0.16 -4.99 119.30 118.73 2k06 s MET 43 Ca 0.06 -1.37 -0.06 0.00 0.00 0.00 0.00 55.69 54.32 2k06 s MET 43 Cb -0.11 -1.03 0.04 0.00 0.00 0.00 0.00 34.83 33.72 2k06 s MET 43 CO 0.01 0.19 0.25 0.08 0.00 0.00 0.00 175.02 175.55 2k06 s VAL 44 N -2.39 -0.03 -1.93 -6.03 1.01 -1.26 -2.97 120.40 106.80 2k06 s VAL 44 Ca 0.14 0.11 0.16 0.00 0.00 0.00 0.00 61.98 62.39 2k06 s VAL 44 Cb -0.04 -0.38 0.43 0.00 0.00 0.00 0.00 36.38 36.40 2k06 s VAL 44 CO 0.04 0.05 1.37 -0.81 0.00 0.00 0.00 175.10 175.75 2k06 n PRO 45 N 3.93 0.47 -4.12 2.72 -0.04 -1.26 -4.70 135.00 132.00 2k06 n PRO 45 Ca -0.22 0.02 -0.15 0.00 -0.04 0.00 0.00 63.50 63.11 2k06 n PRO 45 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.39 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 -2.07 0.79 -0.06 0.52 -4.23 -1.26 -4.87 115.64 104.47 2k06 s THR 46 Ca 0.23 -1.29 0.06 0.00 -1.18 0.00 0.00 61.69 59.50 2k06 s THR 46 Cb 0.11 -0.93 -0.01 0.00 1.34 0.00 0.00 72.50 73.00 2k06 s THR 46 CO 0.19 -0.39 -0.23 -0.70 -0.54 0.00 0.00 174.62 172.95 2k06 s GLU 47 N -1.95 2.58 0.43 3.99 2.12 -1.26 -5.05 118.70 119.57 2k06 s GLU 47 Ca -0.04 -0.87 -0.25 0.00 0.36 0.00 0.00 54.97 54.17 2k06 s GLU 47 Cb -0.08 -2.21 -0.08 0.00 0.26 0.00 0.00 34.13 32.02 2k06 s GLU 47 CO 0.01 0.40 1.28 -1.21 -0.54 0.00 0.00 175.26 175.20 2k06 s GLU 48 N -0.20 3.82 0.15 4.30 2.02 -1.26 -5.03 118.70 122.51 2k06 s GLU 48 Ca -0.02 2.09 0.07 0.00 0.02 0.00 0.00 54.97 57.13 2k06 s GLU 48 Cb -0.13 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 2k06 s GLU 48 CO 0.03 -0.60 -0.16 0.14 0.02 0.00 0.00 175.26 174.70 2k06 s VAL 49 N -1.32 1.60 0.00 2.63 -7.23 -1.26 -5.01 120.40 109.80 2k06 s VAL 49 Ca 0.60 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 2k06 s VAL 49 Cb -0.37 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 34.83 2k06 s VAL 49 CO 0.46 -0.40 0.00 1.33 -0.31 0.00 0.00 175.10 176.18 2k06 n VAL 50 N 0.28 0.00 0.22 1.32 0.24 -1.26 -4.90 118.33 114.23 2k06 n VAL 50 Ca -0.13 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.25 2k06 n VAL 50 Cb 0.58 0.00 0.50 0.00 -1.47 0.00 0.00 33.84 33.45 2k06 n VAL 50 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2k06 h GLU 51 N 0.00 0.00 -3.45 7.34 4.11 -2.05 -3.38 114.58 117.15 2k06 h GLU 51 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.86 2k06 h GLU 51 Cb 0.00 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.85 2k06 h GLU 51 CO 0.00 0.26 -0.76 -1.50 0.07 0.00 0.00 179.01 177.08 2k06 s ILE 52 N -4.01 0.69 0.38 -1.06 1.10 -1.26 -4.98 121.20 112.06 2k06 s ILE 52 Ca -0.02 -1.19 0.09 0.00 -0.51 0.00 0.00 60.65 59.02 2k06 s ILE 52 Cb 0.13 -1.48 0.31 0.00 0.15 0.00 0.00 42.46 41.57 2k06 s ILE 52 CO 0.65 -0.61 1.95 0.03 -2.11 0.00 0.00 174.94 174.85 2k06 h ARG 53 N 8.16 0.62 0.00 3.50 2.47 -1.94 -3.48 114.38 123.70 2k06 h ARG 53 Ca -0.15 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 2k06 h ARG 53 Cb 1.03 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.21 2k06 h ARG 53 CO 0.45 0.41 0.00 0.41 0.56 0.00 0.00 179.97 181.80 2k06 n GLY 54 N -1.47 -1.79 3.28 0.04 0.00 -1.26 -4.93 105.19 99.06 2k06 n GLY 54 Ca 0.11 -1.77 -0.18 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.18 2.18 0.44 -0.02 0.00 -1.26 -5.02 107.32 103.46 2k06 s GLY 55 Ca 0.00 -2.00 0.10 0.00 0.00 0.00 0.00 44.72 42.82 2k06 s GLY 55 CO 0.00 -1.44 2.06 1.46 0.00 0.00 0.00 173.10 175.18 2k06 h GLN 56 N 2.20 0.31 -0.70 2.90 4.20 -2.04 -1.45 115.11 120.52 2k06 h GLN 56 Ca -0.26 -0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.51 2k06 h GLN 56 Cb 1.23 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.90 2k06 h GLN 56 CO 0.39 0.25 0.46 -0.09 -0.67 0.00 0.00 178.83 179.17 2k06 h ARG 57 N 0.31 0.58 -6.77 1.46 2.43 -2.03 -3.41 114.38 106.96 2k06 h ARG 57 Ca 0.08 -0.03 -0.69 0.00 -0.81 0.00 0.00 59.98 58.53 2k06 h ARG 57 Cb 0.04 -0.13 -0.23 0.00 -0.42 0.00 0.00 29.97 29.23 2k06 h ARG 57 CO -0.01 0.38 -0.86 1.03 -1.51 0.00 0.00 179.97 179.00 2k06 s ARG 58 N -5.55 1.71 -0.04 0.20 0.52 -0.55 -5.13 118.95 110.12 2k06 s ARG 58 Ca -0.09 -1.18 0.02 0.00 -0.52 0.00 0.00 55.73 53.96 2k06 s ARG 58 Cb 0.20 -2.00 0.01 0.00 0.52 0.00 0.00 34.95 33.68 2k06 s ARG 58 CO 0.76 0.49 -0.07 0.21 0.02 0.00 0.00 175.30 176.72 2k06 s LYS 59 N -1.63 1.01 0.26 3.54 2.20 -1.26 -4.14 119.74 119.72 2k06 s LYS 59 Ca 0.14 -0.23 -0.01 0.00 -0.36 0.00 0.00 55.97 55.51 2k06 s LYS 59 Cb -0.10 -0.94 0.55 0.00 -1.51 0.00 0.00 37.83 35.83 2k06 s LYS 59 CO 0.05 0.01 1.73 0.77 -0.36 0.00 0.00 175.35 177.55 2k06 h SER 60 N 6.85 0.38 -3.96 1.43 0.02 -1.94 -3.40 113.55 112.93 2k06 h SER 60 Ca -0.35 0.11 -0.51 0.00 -0.84 0.00 0.00 61.79 60.20 2k06 h SER 60 Cb 1.17 0.07 0.07 0.00 0.14 0.00 0.00 62.40 63.84 2k06 h SER 60 CO 0.48 0.12 0.53 -1.61 -1.14 0.00 0.00 176.83 175.21 2k06 s GLU 61 N -5.97 3.93 0.07 3.45 2.02 -1.26 -4.74 118.70 116.20 2k06 s GLU 61 Ca -0.12 1.92 0.09 0.00 0.02 0.00 0.00 54.97 56.89 2k06 s GLU 61 Cb 0.22 -2.62 -0.03 0.00 0.10 0.00 0.00 34.13 31.80 2k06 s GLU 61 CO 0.77 -0.45 -0.25 1.03 0.02 0.00 0.00 175.26 176.38 2k06 s ARG 62 N -2.39 1.55 0.00 1.61 0.52 -1.26 -5.01 118.95 113.96 2k06 s ARG 62 Ca 0.59 -1.14 0.27 0.00 -0.52 0.00 0.00 55.73 54.92 2k06 s ARG 62 Cb -0.33 -1.80 0.81 0.00 0.52 0.00 0.00 34.95 34.15 2k06 s ARG 62 CO 0.41 0.45 1.61 1.63 0.02 0.00 0.00 175.30 179.42 2k06 n LYS 63 N 1.50 0.24 -0.33 3.54 5.02 -1.26 -3.78 118.16 123.08 2k06 n LYS 63 Ca -0.17 -0.11 0.22 0.00 -2.02 0.00 0.00 58.31 56.23 2k06 n LYS 63 Cb 0.53 -1.50 0.49 0.00 -0.02 0.00 0.00 35.03 34.53 2k06 n LYS 63 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2k06 h PHE 64 N 0.27 0.73 0.00 2.13 0.04 -1.97 -3.39 116.94 114.75 2k06 h PHE 64 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 2k06 h PHE 64 Cb 0.48 -0.21 0.00 0.00 2.20 0.00 0.00 35.95 38.42 2k06 h PHE 64 CO 0.00 0.04 0.00 1.97 -0.60 0.00 0.00 178.31 179.72 2k06 n PHE 65 N -4.69 0.00 -2.04 -0.55 1.16 -1.26 -5.14 117.46 104.94 2k06 n PHE 65 Ca 0.26 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.51 2k06 n PHE 65 Cb 0.88 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 38.77 2k06 n PHE 65 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 2k06 s PRO 66 N 0.00 3.17 -0.01 3.97 0.04 -1.25 -3.18 135.00 137.74 2k06 s PRO 66 Ca 0.00 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.45 2k06 s PRO 66 Cb 0.00 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2k06 s PRO 66 CO 0.00 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.49 2k06 n GLY 67 N -0.41 0.31 3.32 0.56 0.00 -1.26 -4.91 105.19 102.79 2k06 n GLY 67 Ca 0.10 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.60 2.94 0.03 1.61 1.51 -1.19 -0.68 117.35 119.97 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 -2.07 -0.02 0.00 -0.11 0.00 0.00 41.96 39.76 2k06 s TYR 68 CO 0.00 -0.50 -0.15 0.08 -1.11 0.00 0.00 175.55 173.87 2k06 s VAL 69 N 1.31 1.15 -0.15 0.71 1.01 -0.14 -4.18 120.40 120.12 2k06 s VAL 69 Ca 0.04 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 2k06 s VAL 69 Cb -0.14 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 2k06 s VAL 69 CO -0.03 0.10 -0.04 -0.76 0.00 0.00 0.00 175.10 174.38 2k06 s LEU 70 N -0.92 3.25 -0.04 3.92 1.02 -1.16 0.13 118.68 124.89 2k06 s LEU 70 Ca 0.03 -0.13 -0.01 0.00 0.02 0.00 0.00 54.13 54.04 2k06 s LEU 70 Cb -0.07 -1.78 0.03 0.00 0.02 0.00 0.00 46.19 44.39 2k06 s LEU 70 CO 0.01 0.17 0.07 -0.69 0.02 0.00 0.00 176.35 175.93 2k06 s VAL 71 N 0.34 -0.09 0.29 -1.59 1.01 -0.61 0.36 120.40 120.11 2k06 s VAL 71 Ca -0.04 0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 2k06 s VAL 71 Cb -0.14 -0.15 -0.10 0.00 0.00 0.00 0.00 36.38 35.99 2k06 s VAL 71 CO 0.03 0.12 1.25 -1.58 0.00 0.00 0.00 175.10 174.91 2k06 s GLN 72 N 1.50 4.44 0.00 2.72 0.74 -0.47 -2.58 119.66 126.02 2k06 s GLN 72 Ca -0.04 2.07 0.00 0.00 0.05 0.00 0.00 55.36 57.44 2k06 s GLN 72 Cb -0.12 -3.13 0.00 0.00 1.10 0.00 0.00 33.01 30.86 2k06 s GLN 72 CO -0.04 -0.08 0.00 -0.12 -0.55 0.00 0.00 175.29 174.50 2k06 n MET 73 N 1.25 0.00 -3.84 1.67 1.56 -0.25 -0.46 117.12 117.04 2k06 n MET 73 Ca 0.01 0.00 -0.21 0.00 -0.27 0.00 0.00 57.70 57.23 2k06 n MET 73 Cb 0.43 0.00 -0.02 0.00 2.15 0.00 0.00 33.22 35.78 2k06 n MET 73 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 2k06 s VAL 74 N -2.00 5.13 -0.26 1.12 -7.23 -1.24 -3.98 120.40 111.94 2k06 s VAL 74 Ca 0.00 -0.92 -0.16 0.00 -1.81 0.00 0.00 61.98 59.09 2k06 s VAL 74 Cb 0.00 -3.82 -0.03 0.00 0.56 0.00 0.00 36.38 33.09 2k06 s VAL 74 CO 0.00 -0.35 0.43 -0.04 -0.31 0.00 0.00 175.10 174.84 2k06 s MET 75 N -4.05 4.05 0.00 4.82 -1.94 -1.26 -4.76 119.30 116.16 2k06 s MET 75 Ca 0.36 0.17 0.00 0.00 -1.71 0.00 0.00 55.69 54.51 2k06 s MET 75 Cb -0.09 -3.64 0.00 0.00 2.01 0.00 0.00 34.83 33.11 2k06 s MET 75 CO 0.30 -0.28 0.00 0.27 -0.01 0.00 0.00 175.02 175.30 2k06 n ASN 76 N 5.33 0.00 -2.45 3.03 6.94 -1.26 -5.04 115.26 121.82 2k06 n ASN 76 Ca -0.07 -0.12 -0.35 0.00 -0.02 0.00 0.00 54.58 54.02 2k06 n ASN 76 Cb 0.50 0.00 0.07 0.00 -2.36 0.00 0.00 39.78 37.99 2k06 n ASN 76 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2k06 n ASP 77 N -0.28 7.47 0.03 0.53 8.00 -1.26 -4.17 116.55 126.86 2k06 n ASP 77 Ca 0.00 -3.80 0.00 0.00 0.71 0.00 0.00 54.79 51.70 2k06 n ASP 77 Cb 0.00 -0.95 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 2k06 n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k06 n ALA 78 N -0.82 0.10 0.19 2.24 0.00 -1.26 -4.89 120.51 116.07 2k06 n ALA 78 Ca 0.59 0.00 0.03 0.00 0.00 0.00 0.00 53.44 54.07 2k06 n ALA 78 Cb 0.58 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.44 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 0.02 -0.20 0.00 4.64 -1.88 -1.09 113.55 115.03 2k06 h SER 79 Ca 0.00 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2k06 h SER 79 Cb 0.00 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2k06 h SER 79 CO 0.00 0.31 -0.01 -0.25 -0.87 0.00 0.00 176.83 176.01 2k06 h TRP 80 N 0.02 0.40 -0.13 4.77 7.01 -1.86 -1.56 115.95 124.60 2k06 h TRP 80 Ca 0.00 -0.07 -0.12 0.00 2.11 0.00 0.00 58.89 60.81 2k06 h TRP 80 Cb 0.53 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.47 2k06 h TRP 80 CO 0.00 0.57 -0.43 0.45 -2.79 0.00 0.00 178.44 176.25 2k06 h HIS 81 N 0.12 0.36 -0.36 2.65 3.86 -1.82 -2.59 115.15 117.37 2k06 h HIS 81 Ca 0.06 -0.10 -0.08 0.00 -1.16 0.00 0.00 60.37 59.09 2k06 h HIS 81 Cb 0.42 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 2k06 h HIS 81 CO 0.04 0.69 -0.10 1.25 0.86 0.00 0.00 177.93 180.66 2k06 h LEU 82 N 0.25 0.60 -0.10 2.43 6.46 -1.01 -1.37 115.31 122.56 2k06 h LEU 82 Ca 0.02 -0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.58 2k06 h LEU 82 Cb 0.86 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.63 2k06 h LEU 82 CO 0.07 0.74 -0.09 0.58 -0.62 0.00 0.00 178.44 179.12 2k06 h VAL 83 N 0.57 1.35 -0.34 1.05 2.07 -1.01 -2.99 116.25 116.95 2k06 h VAL 83 Ca 0.10 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 2k06 h VAL 83 Cb 0.52 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 2k06 h VAL 83 CO 0.03 0.34 0.16 -0.09 0.02 0.00 0.00 177.57 178.03 2k06 h ARG 84 N -0.15 0.46 0.00 1.57 2.43 -1.32 -0.21 114.38 117.15 2k06 h ARG 84 Ca 0.02 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2k06 h ARG 84 Cb 0.59 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2k06 h ARG 84 CO 0.02 0.36 -0.05 0.66 -1.51 0.00 0.00 179.97 179.46 2k06 h SER 85 N 0.47 0.00 -2.40 -3.80 4.64 -1.10 -3.42 113.55 107.93 2k06 h SER 85 Ca 0.12 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.91 2k06 h SER 85 Cb 0.06 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.16 2k06 h SER 85 CO -0.02 0.05 1.21 -0.69 -0.87 0.00 0.00 176.83 176.51 2k06 s VAL 86 N -4.20 3.05 0.75 0.95 1.01 -0.09 -4.95 120.40 116.91 2k06 s VAL 86 Ca -0.03 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 2k06 s VAL 86 Cb 0.13 -3.06 0.05 0.00 0.00 0.00 0.00 36.38 33.49 2k06 s VAL 86 CO 0.52 -0.01 1.08 -2.16 0.00 0.00 0.00 175.10 174.54 2k06 s PRO 87 N 4.31 2.42 -1.58 2.72 0.04 -1.26 -3.65 135.00 138.00 2k06 s PRO 87 Ca 0.86 1.10 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 2k06 s PRO 87 Cb -0.42 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.20 2k06 s PRO 87 CO 0.40 -1.51 0.36 0.54 0.04 0.00 0.00 177.00 176.83 2k06 n ARG 88 N -3.43 -3.50 -5.08 4.56 1.74 -1.26 -4.73 116.66 104.97 2k06 n ARG 88 Ca 0.09 0.92 -0.30 0.00 -0.77 0.00 0.00 57.85 57.78 2k06 n ARG 88 Cb 0.53 -5.63 -0.17 0.00 -1.02 0.00 0.00 32.46 26.17 2k06 n ARG 88 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2k06 s VAL 89 N -3.10 1.82 0.06 1.55 0.11 -1.24 -3.32 120.40 116.29 2k06 s VAL 89 Ca 0.18 -0.90 -0.17 0.00 -2.93 0.00 0.00 61.98 58.16 2k06 s VAL 89 Cb -0.08 -1.57 -0.16 0.00 -1.53 0.00 0.00 36.38 33.05 2k06 s VAL 89 CO 0.22 0.51 1.28 0.24 -3.33 0.00 0.00 175.10 174.02 2k06 h MET 90 N 6.49 0.59 0.00 1.54 2.86 -0.42 -3.47 114.93 122.52 2k06 h MET 90 Ca -0.27 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 56.94 2k06 h MET 90 Cb 1.20 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.94 2k06 h MET 90 CO 0.47 1.05 0.00 0.41 1.06 0.00 0.00 176.91 179.90 2k06 n GLY 91 N 0.57 -0.18 3.83 8.32 0.00 -1.20 -4.99 105.19 111.53 2k06 n GLY 91 Ca -0.07 -1.09 -0.22 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.61 2.89 -0.04 1.61 0.08 -1.26 -2.14 117.98 115.50 2k06 s PHE 92 Ca 0.00 -0.29 0.05 0.00 0.12 0.00 0.00 56.93 56.81 2k06 s PHE 92 Cb 0.00 -1.70 -0.02 0.00 -0.57 0.00 0.00 43.02 40.72 2k06 s PHE 92 CO 0.00 0.26 -0.19 0.42 -0.10 0.00 0.00 175.22 175.62 2k06 s ILE 93 N -2.30 2.67 0.00 0.64 1.01 -1.06 -4.64 121.20 117.52 2k06 s ILE 93 Ca 0.39 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 60.17 2k06 s ILE 93 Cb -0.06 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.40 2k06 s ILE 93 CO 0.26 0.59 0.00 0.61 0.00 0.00 0.00 174.94 176.39 2k06 n GLY 94 N 2.40 3.19 6.04 6.18 0.00 -1.26 -4.15 105.19 117.59 2k06 n GLY 94 Ca -0.17 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.42 2k06 n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k06 n GLY 95 N 0.79 0.40 0.69 -0.02 0.00 -1.26 -3.62 105.19 102.17 2k06 n GLY 95 Ca 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 46.02 46.44 2k06 n GLY 95 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k06 n THR 96 N 0.00 0.00 -0.10 2.61 5.66 -1.25 -5.01 114.28 116.19 2k06 n THR 96 Ca 0.00 -0.50 0.02 0.00 -3.05 0.00 0.00 64.05 60.52 2k06 n THR 96 Cb 0.00 0.26 0.22 0.00 -1.55 0.00 0.00 70.33 69.26 2k06 n THR 96 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2k06 n SER 97 N -2.63 3.68 0.00 1.09 3.41 -1.26 -3.79 113.62 114.13 2k06 n SER 97 Ca 0.01 -2.57 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 2k06 n SER 97 Cb 0.13 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 2k06 n SER 97 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k06 n ASP 98 N 0.28 4.68 -3.18 4.04 2.03 -1.26 -4.73 116.55 118.41 2k06 n ASP 98 Ca 0.18 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.33 2k06 n ASP 98 Cb 0.83 0.49 -0.06 0.00 -0.72 0.00 0.00 41.12 41.66 2k06 n ASP 98 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2k06 s ARG 99 N -1.93 0.88 0.12 -0.67 0.52 -1.25 -5.06 118.95 111.55 2k06 s ARG 99 Ca 0.00 -1.36 -0.31 0.00 -0.52 0.00 0.00 55.73 53.54 2k06 s ARG 99 Cb 0.00 -0.74 -0.09 0.00 0.52 0.00 0.00 34.95 34.64 2k06 s ARG 99 CO 0.00 -1.31 1.55 -1.25 0.02 0.00 0.00 175.30 174.32 2k06 s PRO 100 N 0.77 4.23 0.36 3.54 0.04 -1.25 -3.96 135.00 138.74 2k06 s PRO 100 Ca 0.27 2.28 -0.27 0.00 0.04 0.00 0.00 61.00 63.32 2k06 s PRO 100 Cb -0.03 -3.32 -0.09 0.00 0.04 0.00 0.00 34.50 31.09 2k06 s PRO 100 CO -0.10 -0.61 1.21 0.00 0.04 0.00 0.00 177.00 177.54 2k06 s ALA 101 N 1.63 3.32 0.63 8.56 0.00 -1.24 -4.92 121.76 129.74 2k06 s ALA 101 Ca 0.70 1.07 -0.16 0.00 0.00 0.00 0.00 51.96 53.57 2k06 s ALA 101 Cb -0.41 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.29 2k06 s ALA 101 CO 0.31 -0.52 1.12 -1.25 0.00 0.00 0.00 175.76 175.42 2k06 s PRO 102 N -1.98 2.93 0.25 0.00 0.04 -1.26 -4.77 135.00 130.21 2k06 s PRO 102 Ca 0.52 1.47 0.10 0.00 0.04 0.00 0.00 61.00 63.14 2k06 s PRO 102 Cb -0.34 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.19 2k06 s PRO 102 CO 0.44 -1.16 -0.11 0.96 0.04 0.00 0.00 177.00 177.17 2k06 s ILE 103 N -2.16 2.98 0.48 0.56 -4.36 -1.14 -5.02 121.20 112.54 2k06 s ILE 103 Ca 0.69 -2.06 -0.22 0.00 -0.26 0.00 0.00 60.65 58.81 2k06 s ILE 103 Cb -0.22 -2.56 -0.07 0.00 1.25 0.00 0.00 42.46 40.86 2k06 s ILE 103 CO 0.38 -0.32 1.11 -0.44 0.24 0.00 0.00 174.94 175.91 2k06 s SER 104 N -3.40 6.19 0.35 4.36 0.01 -1.26 -4.36 113.70 115.59 2k06 s SER 104 Ca 0.29 2.16 0.04 0.00 1.31 0.00 0.00 55.95 59.74 2k06 s SER 104 Cb -0.06 -2.59 0.67 0.00 0.21 0.00 0.00 66.02 64.25 2k06 s SER 104 CO 0.17 -0.89 1.99 0.44 0.41 0.00 0.00 173.24 175.35 2k06 h ASP 105 N 1.82 0.71 -0.93 2.44 3.32 -1.98 -1.21 116.42 120.59 2k06 h ASP 105 Ca -0.49 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.56 2k06 h ASP 105 Cb 1.24 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.58 2k06 h ASP 105 CO 0.59 0.49 0.62 0.50 -1.72 0.00 0.00 179.24 179.72 2k06 h LYS 106 N 0.83 1.21 -0.44 3.56 3.64 -1.99 -2.04 116.57 121.33 2k06 h LYS 106 Ca 0.27 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.61 2k06 h LYS 106 Cb 0.05 -0.27 -0.04 0.00 -0.41 0.00 0.00 32.23 31.56 2k06 h LYS 106 CO -0.07 0.80 0.22 0.93 -2.27 0.00 0.00 179.45 179.05 2k06 h GLU 107 N 1.25 0.42 -0.87 1.90 5.08 -1.59 0.12 114.58 120.90 2k06 h GLU 107 Ca 0.34 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 2k06 h GLU 107 Cb -0.13 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 28.99 2k06 h GLU 107 CO -0.08 0.28 0.47 0.28 -1.00 0.00 0.00 179.01 178.96 2k06 h VAL 108 N 0.43 1.25 -0.43 3.13 2.07 -1.31 -2.07 116.25 119.32 2k06 h VAL 108 Ca 0.19 -0.64 -0.10 0.00 0.82 0.00 0.00 66.70 66.97 2k06 h VAL 108 Cb 0.10 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 2k06 h VAL 108 CO -0.14 0.29 -0.13 0.44 0.02 0.00 0.00 177.57 178.04 2k06 h ASP 109 N 1.22 0.79 0.18 0.57 3.32 -0.64 -2.92 116.42 118.95 2k06 h ASP 109 Ca 0.31 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2k06 h ASP 109 Cb 0.04 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2k06 h ASP 109 CO -0.05 0.94 -0.16 0.00 -1.72 0.00 0.00 179.24 178.25 2k06 h ALA 110 N 1.13 -0.33 -0.13 3.45 0.00 -0.11 0.62 119.26 123.88 2k06 h ALA 110 Ca 0.12 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2k06 h ALA 110 Cb 0.63 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 2k06 h ALA 110 CO 0.04 -0.71 -0.39 0.82 0.00 0.00 0.00 179.25 179.02 2k06 h ILE 111 N -0.36 0.19 -0.89 0.00 2.04 -1.36 -0.22 117.51 116.91 2k06 h ILE 111 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2k06 h ILE 111 Cb 0.33 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 2k06 h ILE 111 CO -0.03 0.00 0.54 0.24 0.00 0.00 0.00 178.15 178.90 2k06 h MET 112 N -0.46 1.20 -0.52 2.37 2.86 -1.31 -2.46 114.93 116.61 2k06 h MET 112 Ca 0.08 -0.11 0.10 0.00 -2.06 0.00 0.00 59.70 57.72 2k06 h MET 112 Cb 0.60 -0.25 -0.09 0.00 0.06 0.00 0.00 31.60 31.92 2k06 h MET 112 CO -0.38 0.84 -0.07 -0.97 1.06 0.00 0.00 176.91 177.39 2k06 h ASN 113 N 1.22 -0.36 0.00 1.22 -1.24 0.20 -1.17 115.58 115.46 2k06 h ASN 113 Ca 0.32 0.14 0.03 0.00 0.71 0.00 0.00 56.30 57.50 2k06 h ASN 113 Cb -0.05 0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.24 2k06 h ASN 113 CO -0.06 -0.13 -0.18 0.03 -1.29 0.00 0.00 177.43 175.80 2k06 h ARG 114 N 0.05 -0.28 -0.83 6.67 3.08 -0.80 -1.56 114.38 120.72 2k06 h ARG 114 Ca 0.26 0.02 0.20 0.00 0.07 0.00 0.00 59.98 60.53 2k06 h ARG 114 Cb 0.40 0.06 -0.13 0.00 0.08 0.00 0.00 29.97 30.38 2k06 h ARG 114 CO -0.49 -0.19 0.19 1.25 -1.07 0.00 0.00 179.97 179.67 2k06 h LEU 115 N -0.29 -0.03 -1.92 3.04 5.85 -1.12 1.21 115.31 122.05 2k06 h LEU 115 Ca 0.05 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 2k06 h LEU 115 Cb 0.36 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 2k06 h LEU 115 CO -0.17 -0.12 -0.09 1.56 -0.34 0.00 0.00 178.44 179.28 2k06 h GLN 116 N 0.22 0.00 -6.48 1.25 4.20 -0.56 -3.41 115.11 110.33 2k06 h GLN 116 Ca 0.50 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.67 2k06 h GLN 116 Cb 0.94 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.73 2k06 h GLN 116 CO -0.61 0.09 0.60 -1.14 -0.67 0.00 0.00 178.83 177.10 2k06 s GLN 117 N -4.69 4.40 -0.02 1.46 0.74 0.42 -5.02 119.66 116.95 2k06 s GLN 117 Ca -0.04 1.83 0.07 0.00 0.05 0.00 0.00 55.36 57.26 2k06 s GLN 117 Cb 0.16 -3.34 -0.02 0.00 1.10 0.00 0.00 33.01 30.91 2k06 s GLN 117 CO 0.65 -0.31 -0.23 0.08 -0.55 0.00 0.00 175.29 174.94 2k06 s VAL 118 N 1.16 1.79 0.65 1.34 1.01 -1.26 -4.97 120.40 120.12 2k06 s VAL 118 Ca 0.60 -0.96 0.27 0.00 0.00 0.00 0.00 61.98 61.89 2k06 s VAL 118 Cb -0.31 -1.49 0.29 0.00 0.00 0.00 0.00 36.38 34.87 2k06 s VAL 118 CO 0.29 0.51 1.83 1.23 0.00 0.00 0.00 175.10 178.96 2k06 h GLY 119 N 5.64 0.00 -4.13 4.51 0.00 -1.97 -3.39 103.07 103.72 2k06 h GLY 119 Ca -0.40 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.40 2k06 h GLY 119 CO 0.47 0.00 0.17 0.99 0.00 0.00 0.00 176.54 178.17 2k06 s ASP 120 N -4.41 7.36 -0.62 0.19 1.01 -1.26 -5.01 116.67 113.93 2k06 s ASP 120 Ca -0.03 1.62 0.06 0.00 0.71 0.00 0.00 52.55 54.90 2k06 s ASP 120 Cb 0.09 -2.49 0.22 0.00 1.01 0.00 0.00 42.92 41.75 2k06 s ASP 120 CO 0.29 0.20 0.63 1.17 0.21 0.00 0.00 175.17 177.67 2k06 n LYS 121 N 1.55 2.00 0.28 8.23 4.81 -1.26 -4.89 118.16 128.88 2k06 n LYS 121 Ca -0.06 -4.37 0.17 0.00 -0.87 0.00 0.00 58.31 53.18 2k06 n LYS 121 Cb 0.49 -2.11 0.68 0.00 0.02 0.00 0.00 35.03 34.11 2k06 n LYS 121 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 2k06 h PRO 122 N 4.56 0.00 0.00 1.64 0.13 -1.95 -3.55 132.00 132.83 2k06 h PRO 122 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2k06 h PRO 122 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2k06 h PRO 122 CO 0.74 0.01 0.00 0.54 -0.23 0.00 0.00 178.00 179.06