#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 0.82 -0.86 7.83 0.87 -2.05 -0.58 113.55 119.58 2k06 h SER 2 Ca 0.00 0.01 0.13 0.00 -1.23 0.00 0.00 61.79 60.70 2k06 h SER 2 Cb 0.00 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 61.73 2k06 h SER 2 CO 0.00 0.51 0.56 -0.08 -0.53 0.00 0.00 176.83 177.29 2k06 h GLU 3 N 0.92 0.66 -4.68 2.24 4.81 -2.10 -3.35 114.58 113.09 2k06 h GLU 3 Ca 0.38 -0.04 -0.65 0.00 -0.13 0.00 0.00 59.36 58.92 2k06 h GLU 3 Cb 0.28 -0.15 -0.38 0.00 0.63 0.00 0.00 28.75 29.13 2k06 h GLU 3 CO -0.15 0.44 -0.78 0.00 -0.73 0.00 0.00 179.01 177.79 2k06 s ALA 4 N -5.66 2.48 0.29 2.92 0.00 -0.23 -5.10 121.76 116.47 2k06 s ALA 4 Ca -0.10 -1.85 -0.29 0.00 0.00 0.00 0.00 51.96 49.73 2k06 s ALA 4 Cb 0.21 -1.64 -0.10 0.00 0.00 0.00 0.00 23.12 21.60 2k06 s ALA 4 CO 0.78 -1.32 1.24 -1.25 0.00 0.00 0.00 175.76 175.21 2k06 s PRO 5 N 1.14 4.46 0.18 0.00 0.04 -1.26 -4.76 135.00 134.81 2k06 s PRO 5 Ca -0.03 2.05 0.10 0.00 0.04 0.00 0.00 61.00 63.16 2k06 s PRO 5 Cb -0.19 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 2k06 s PRO 5 CO -0.07 -0.06 -0.20 0.15 0.04 0.00 0.00 177.00 176.86 2k06 s LYS 6 N -1.43 1.39 -0.89 4.56 1.02 -1.26 -4.79 119.74 118.34 2k06 s LYS 6 Ca 0.48 -1.48 -0.02 0.00 0.02 0.00 0.00 55.97 54.98 2k06 s LYS 6 Cb -0.37 -1.54 -0.02 0.00 -0.52 0.00 0.00 37.83 35.38 2k06 s LYS 6 CO 0.47 0.32 0.75 1.63 -0.92 0.00 0.00 175.35 177.60 2k06 n LYS 7 N 0.21 -3.85 -4.19 1.68 4.76 -1.26 -5.02 118.16 110.48 2k06 n LYS 7 Ca -0.12 0.67 -0.28 0.00 -2.87 0.00 0.00 58.31 55.71 2k06 n LYS 7 Cb 0.57 -5.03 -0.08 0.00 -1.84 0.00 0.00 35.03 28.65 2k06 n LYS 7 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2k06 s ARG 8 N -4.68 2.42 -0.19 1.97 1.81 -1.26 -4.95 118.95 114.06 2k06 s ARG 8 Ca 0.14 -1.03 -0.07 0.00 -1.72 0.00 0.00 55.73 53.04 2k06 s ARG 8 Cb -0.02 -2.40 -0.04 0.00 -0.45 0.00 0.00 34.95 32.04 2k06 s ARG 8 CO 0.57 0.48 0.06 -1.58 -0.68 0.00 0.00 175.30 174.15 2k06 s TRP 9 N -1.58 3.24 0.28 -0.53 0.52 -1.26 -1.22 118.94 118.39 2k06 s TRP 9 Ca 0.26 0.05 0.08 0.00 0.02 0.00 0.00 56.10 56.51 2k06 s TRP 9 Cb -0.10 -2.09 -0.06 0.00 -1.15 0.00 0.00 33.47 30.07 2k06 s TRP 9 CO 0.18 0.12 -0.09 0.71 0.02 0.00 0.00 176.95 177.89 2k06 s TYR 10 N 0.46 2.04 0.04 -1.98 2.02 -1.04 -2.99 117.35 115.89 2k06 s TYR 10 Ca 0.03 -0.61 -0.03 0.00 -0.37 0.00 0.00 57.07 56.09 2k06 s TYR 10 Cb -0.13 -1.12 -0.04 0.00 -0.40 0.00 0.00 41.96 40.27 2k06 s TYR 10 CO 0.01 0.39 0.24 0.08 -1.57 0.00 0.00 175.55 174.69 2k06 s VAL 11 N -2.88 5.35 -0.12 0.71 1.01 -1.26 -2.15 120.40 121.05 2k06 s VAL 11 Ca 0.29 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.18 2k06 s VAL 11 Cb 0.02 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.84 2k06 s VAL 11 CO 0.12 0.24 -0.15 -0.69 0.00 0.00 0.00 175.10 174.63 2k06 s VAL 12 N -1.42 1.54 0.01 2.92 1.01 0.69 -3.53 120.40 121.63 2k06 s VAL 12 Ca 0.31 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.46 2k06 s VAL 12 Cb -0.13 -1.42 -0.06 0.00 0.00 0.00 0.00 36.38 34.78 2k06 s VAL 12 CO 0.21 0.45 0.51 -1.58 0.00 0.00 0.00 175.10 174.69 2k06 s GLN 13 N 1.14 4.15 0.08 2.72 0.74 0.38 -2.21 119.66 126.67 2k06 s GLN 13 Ca -0.03 0.60 -0.07 0.00 0.05 0.00 0.00 55.36 55.91 2k06 s GLN 13 Cb -0.14 -3.28 -0.01 0.00 1.10 0.00 0.00 33.01 30.68 2k06 s GLN 13 CO -0.05 0.55 0.14 0.00 -0.55 0.00 0.00 175.29 175.38 2k06 s ALA 14 N -0.72 -0.07 0.40 1.58 0.00 -1.02 -1.10 121.76 120.84 2k06 s ALA 14 Ca 0.27 -0.75 -0.26 0.00 0.00 0.00 0.00 51.96 51.23 2k06 s ALA 14 Cb -0.18 0.44 -0.08 0.00 0.00 0.00 0.00 23.12 23.30 2k06 s ALA 14 CO 0.16 -0.48 1.24 -0.06 0.00 0.00 0.00 175.76 176.62 2k06 s PHE 15 N -3.87 2.93 0.58 0.00 0.08 -1.24 -4.43 117.98 112.04 2k06 s PHE 15 Ca 0.05 1.48 -0.20 0.00 0.12 0.00 0.00 56.93 58.38 2k06 s PHE 15 Cb 0.06 -3.54 -0.04 0.00 -0.57 0.00 0.00 43.02 38.92 2k06 s PHE 15 CO -0.11 -1.73 1.29 0.43 -0.10 0.00 0.00 175.22 175.00 2k06 n SER 16 N 0.11 2.28 0.00 1.36 7.64 -1.26 -1.99 113.62 121.76 2k06 n SER 16 Ca 0.04 0.92 0.00 0.00 1.01 0.00 0.00 58.87 60.84 2k06 n SER 16 Cb 0.45 -1.55 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 0.87 2.48 0.75 0.23 0.00 -1.26 -4.64 105.19 103.62 2k06 n GLY 17 Ca 0.12 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 0.33 -0.25 1.61 3.72 -0.84 -4.52 117.46 117.52 2k06 n PHE 18 Ca 0.00 -0.26 0.14 0.00 -0.05 0.00 0.00 57.45 57.28 2k06 n PHE 18 Cb 0.00 -0.01 0.43 0.00 -0.94 0.00 0.00 39.48 38.96 2k06 n PHE 18 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2k06 h GLU 19 N 2.90 0.56 0.07 -1.08 4.81 -1.76 1.45 114.58 121.53 2k06 h GLU 19 Ca 0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2k06 h GLU 19 Cb 0.73 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2k06 h GLU 19 CO 0.00 0.37 -0.03 0.78 -0.73 0.00 0.00 179.01 179.40 2k06 h GLY 20 N 0.58 -0.10 0.66 1.92 0.00 -1.91 -3.18 103.07 101.04 2k06 h GLY 20 Ca 0.44 0.04 0.07 0.00 0.00 0.00 0.00 47.33 47.88 2k06 h GLY 20 CO -0.19 -0.04 0.48 -0.09 0.00 0.00 0.00 176.54 176.70 2k06 h ARG 21 N -1.02 0.83 -0.65 4.80 2.43 -1.76 -1.62 114.38 117.39 2k06 h ARG 21 Ca -0.01 -0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.25 2k06 h ARG 21 Cb 0.20 -0.19 -0.11 0.00 -0.42 0.00 0.00 29.97 29.45 2k06 h ARG 21 CO 0.02 0.55 0.04 0.28 -1.51 0.00 0.00 179.97 179.35 2k06 h VAL 22 N 0.86 0.49 -0.61 0.20 2.07 0.19 0.25 116.25 119.68 2k06 h VAL 22 Ca 0.36 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.89 2k06 h VAL 22 Cb 0.23 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 2k06 h VAL 22 CO -0.20 0.03 0.33 0.00 0.02 0.00 0.00 177.57 177.75 2k06 h ALA 23 N 1.58 0.81 -0.34 1.67 0.00 -1.27 -1.65 119.26 120.07 2k06 h ALA 23 Ca 0.35 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 2k06 h ALA 23 Cb 0.58 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2k06 h ALA 23 CO -0.53 -0.01 0.10 1.15 0.00 0.00 0.00 179.25 179.96 2k06 h THR 24 N 0.61 1.21 -0.00 0.00 2.02 -0.55 -2.66 112.91 113.54 2k06 h THR 24 Ca 0.27 -0.68 0.03 0.00 0.77 0.00 0.00 66.41 66.81 2k06 h THR 24 Cb 0.17 1.02 -0.05 0.00 -1.74 0.00 0.00 68.15 67.55 2k06 h THR 24 CO -0.18 0.23 -0.38 0.28 0.37 0.00 0.00 175.52 175.85 2k06 h SER 25 N 0.39 -1.14 -0.36 4.18 0.02 0.03 0.37 113.55 117.04 2k06 h SER 25 Ca 0.11 0.14 0.07 0.00 -0.84 0.00 0.00 61.79 61.27 2k06 h SER 25 Cb 0.26 0.45 -0.09 0.00 0.14 0.00 0.00 62.40 63.16 2k06 h SER 25 CO -0.00 -0.43 -0.37 0.25 -1.14 0.00 0.00 176.83 175.14 2k06 h LEU 26 N -0.53 -1.22 -1.94 5.07 5.85 -1.24 0.72 115.31 122.03 2k06 h LEU 26 Ca 0.05 0.20 0.18 0.00 0.84 0.00 0.00 57.88 59.15 2k06 h LEU 26 Cb 0.62 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2k06 h LEU 26 CO -0.30 -0.35 0.46 -0.09 -0.34 0.00 0.00 178.44 177.82 2k06 h ARG 27 N -0.31 0.06 -0.45 1.25 2.43 -1.02 0.10 114.38 116.44 2k06 h ARG 27 Ca 0.15 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2k06 h ARG 27 Cb 0.56 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 2k06 h ARG 27 CO -0.53 0.04 0.19 1.49 -1.51 0.00 0.00 179.97 179.65 2k06 h GLU 28 N 0.06 0.67 -0.00 0.20 4.81 0.26 -2.32 114.58 118.25 2k06 h GLU 28 Ca 0.31 -0.12 -0.21 0.00 -0.13 0.00 0.00 59.36 59.22 2k06 h GLU 28 Cb 1.16 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 2k06 h GLU 28 CO -0.02 0.61 -0.89 0.45 -0.73 0.00 0.00 179.01 178.43 2k06 h HIS 29 N 0.59 0.41 -0.34 0.92 3.86 -0.26 -3.13 115.15 117.20 2k06 h HIS 29 Ca 0.15 -0.22 0.06 0.00 -1.16 0.00 0.00 60.37 59.20 2k06 h HIS 29 Cb 0.18 -0.05 -0.05 0.00 1.06 0.00 0.00 27.41 28.55 2k06 h HIS 29 CO 0.00 1.03 0.02 0.82 0.86 0.00 0.00 177.93 180.66 2k06 h ILE 30 N 0.16 0.77 -0.68 2.45 2.04 -0.64 0.37 117.51 121.98 2k06 h ILE 30 Ca -0.05 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2k06 h ILE 30 Cb 1.51 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 2k06 h ILE 30 CO 0.14 0.02 0.44 0.50 0.00 0.00 0.00 178.15 179.25 2k06 h LYS 31 N 0.12 0.90 0.07 2.37 3.64 -1.45 1.49 116.57 123.70 2k06 h LYS 31 Ca 0.17 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2k06 h LYS 31 Cb 0.22 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2k06 h LYS 31 CO -0.26 0.61 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.43 2k06 h LEU 32 N 0.92 -0.07 -0.24 5.20 3.38 -1.23 -2.35 115.31 120.92 2k06 h LEU 32 Ca 0.25 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2k06 h LEU 32 Cb -0.08 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2k06 h LEU 32 CO -0.05 0.15 0.00 1.41 0.09 0.00 0.00 178.44 180.04 2k06 n HIS 33 N -5.03 0.03 -3.45 1.13 8.25 0.12 -4.90 115.22 111.38 2k06 n HIS 33 Ca -0.08 -0.02 -0.17 0.00 -0.26 0.00 0.00 57.72 57.19 2k06 n HIS 33 Cb 0.15 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.34 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 -0.60 -2.24 -1.10 0.41 5.03 0.41 -4.89 115.26 112.29 2k06 n ASN 34 Ca 0.17 -0.65 0.12 0.00 0.87 0.00 0.00 54.58 55.09 2k06 n ASN 34 Cb 0.13 -5.03 0.20 0.00 -1.02 0.00 0.00 39.78 34.06 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 -4.09 2.46 -0.15 3.52 2.81 0.40 -4.36 117.12 117.70 2k06 n MET 35 Ca -0.28 -2.18 0.14 0.00 -1.81 0.00 0.00 57.70 53.57 2k06 n MET 35 Cb 0.67 -1.50 0.49 0.00 -0.71 0.00 0.00 33.22 32.17 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 4.48 0.43 -0.72 0.03 5.08 -1.85 0.31 114.58 122.34 2k06 h GLU 36 Ca 0.00 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2k06 h GLU 36 Cb 0.98 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 2k06 h GLU 36 CO 0.00 0.28 0.43 -0.44 -1.00 0.00 0.00 179.01 178.29 2k06 h ASP 37 N 0.44 0.86 0.02 1.42 3.32 -1.95 -2.99 116.42 117.55 2k06 h ASP 37 Ca 0.35 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 2k06 h ASP 37 Cb 0.75 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2k06 h ASP 37 CO -0.11 0.67 -0.01 -0.07 -1.72 0.00 0.00 179.24 178.00 2k06 h LEU 38 N 0.98 -0.02 -9.61 1.55 3.38 -1.31 -3.43 115.31 106.86 2k06 h LEU 38 Ca 0.26 -0.53 -0.52 0.00 0.09 0.00 0.00 57.88 57.18 2k06 h LEU 38 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2k06 h LEU 38 CO -0.05 0.52 0.47 -0.36 0.09 0.00 0.00 178.44 179.12 2k06 s PHE 39 N -4.02 3.59 -0.00 1.13 0.08 -0.40 -3.45 117.98 114.91 2k06 s PHE 39 Ca -0.16 1.58 -0.01 0.00 0.12 0.00 0.00 56.93 58.46 2k06 s PHE 39 Cb 0.01 -3.27 -0.00 0.00 -0.57 0.00 0.00 43.02 39.19 2k06 s PHE 39 CO 0.66 -0.60 -0.02 0.41 -0.10 0.00 0.00 175.22 175.57 2k06 n GLY 40 N 2.29 -0.20 3.29 4.36 0.00 -0.71 -4.73 105.19 109.49 2k06 n GLY 40 Ca 0.04 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.18 1.16 0.13 1.61 2.12 -1.26 -4.98 118.70 116.30 2k06 s GLU 41 Ca -0.02 -1.36 0.10 0.00 0.36 0.00 0.00 54.97 54.06 2k06 s GLU 41 Cb 0.00 -1.07 -0.04 0.00 0.26 0.00 0.00 34.13 33.29 2k06 s GLU 41 CO 0.03 0.20 -0.25 0.08 -0.54 0.00 0.00 175.26 174.77 2k06 s VAL 42 N -2.29 2.15 0.29 3.70 1.01 -1.26 -0.87 120.40 123.13 2k06 s VAL 42 Ca 0.14 -1.74 0.10 0.00 0.00 0.00 0.00 61.98 60.48 2k06 s VAL 42 Cb -0.04 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 2k06 s VAL 42 CO 0.05 0.04 -0.15 -0.04 0.00 0.00 0.00 175.10 174.99 2k06 s MET 43 N -2.09 1.68 -0.25 2.72 1.00 0.38 -4.96 119.30 117.79 2k06 s MET 43 Ca 0.13 -1.81 -0.15 0.00 0.00 0.00 0.00 55.69 53.86 2k06 s MET 43 Cb -0.10 -1.65 0.07 0.00 0.00 0.00 0.00 34.83 33.16 2k06 s MET 43 CO 0.06 0.24 0.61 0.08 0.00 0.00 0.00 175.02 176.01 2k06 s VAL 44 N -2.62 -0.01 -2.00 -6.03 1.01 -1.26 -3.90 120.40 105.60 2k06 s VAL 44 Ca 0.30 0.02 0.15 0.00 0.00 0.00 0.00 61.98 62.45 2k06 s VAL 44 Cb -0.02 -0.89 0.43 0.00 0.00 0.00 0.00 36.38 35.90 2k06 s VAL 44 CO 0.15 0.01 1.31 -0.81 0.00 0.00 0.00 175.10 175.76 2k06 n PRO 45 N 4.14 0.48 -4.26 2.72 -0.04 -1.26 -4.73 135.00 132.05 2k06 n PRO 45 Ca -0.20 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.11 2k06 n PRO 45 Cb 0.58 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.45 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 -2.00 1.08 0.33 0.52 -4.23 -1.26 -4.93 115.64 105.15 2k06 s THR 46 Ca 0.23 -2.04 -0.27 0.00 -1.18 0.00 0.00 61.69 58.42 2k06 s THR 46 Cb 0.10 -1.98 -0.13 0.00 1.34 0.00 0.00 72.50 71.84 2k06 s THR 46 CO 0.17 -0.63 1.04 -0.62 -0.54 0.00 0.00 174.62 174.04 2k06 n GLU 47 N -0.25 1.45 -0.05 3.99 4.71 -1.26 -4.83 120.64 124.41 2k06 n GLU 47 Ca -0.09 0.51 0.03 0.00 -0.01 0.00 0.00 57.16 57.60 2k06 n GLU 47 Cb 0.62 -1.95 0.39 0.00 -1.01 0.00 0.00 31.44 29.48 2k06 n GLU 47 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 2k06 h GLU 48 N 1.93 0.63 -3.99 3.49 4.81 -1.99 -3.42 114.58 116.05 2k06 h GLU 48 Ca -0.42 -0.04 -0.24 0.00 -0.13 0.00 0.00 59.36 58.53 2k06 h GLU 48 Cb 1.33 -0.14 -0.26 0.00 0.63 0.00 0.00 28.75 30.31 2k06 h GLU 48 CO 0.60 0.42 -0.73 0.54 -0.73 0.00 0.00 179.01 179.11 2k06 s VAL 49 N -5.57 0.17 -0.04 0.32 0.11 -1.26 -5.09 120.40 109.03 2k06 s VAL 49 Ca -0.09 -0.33 0.07 0.00 -2.93 0.00 0.00 61.98 58.70 2k06 s VAL 49 Cb 0.17 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.82 2k06 s VAL 49 CO 0.74 -0.11 -0.25 -0.69 -3.33 0.00 0.00 175.10 171.46 2k06 s VAL 50 N -0.44 2.10 -0.12 2.04 1.01 -1.26 -5.12 120.40 118.61 2k06 s VAL 50 Ca -0.04 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 60.89 2k06 s VAL 50 Cb -0.03 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 2k06 s VAL 50 CO -0.00 0.57 -0.17 -0.70 0.00 0.00 0.00 175.10 174.80 2k06 s GLU 51 N -0.38 3.23 0.29 2.72 2.12 -1.26 -5.00 118.70 120.43 2k06 s GLU 51 Ca 0.03 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 54.60 2k06 s GLU 51 Cb -0.12 -2.50 0.43 0.00 0.26 0.00 0.00 34.13 32.20 2k06 s GLU 51 CO 0.02 0.21 1.81 0.82 -0.54 0.00 0.00 175.26 177.58 2k06 h ILE 52 N 5.49 1.23 -0.62 -3.70 2.04 -2.00 -2.19 117.51 117.76 2k06 h ILE 52 Ca -0.24 -0.88 0.11 0.00 1.00 0.00 0.00 64.86 64.85 2k06 h ILE 52 Cb 1.22 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 2k06 h ILE 52 CO 0.52 0.31 0.42 0.03 0.00 0.00 0.00 178.15 179.43 2k06 h ARG 53 N 0.69 0.39 -0.95 2.37 2.47 -1.98 0.11 114.38 117.48 2k06 h ARG 53 Ca 0.14 -0.02 0.26 0.00 -1.26 0.00 0.00 59.98 59.10 2k06 h ARG 53 Cb 0.37 -0.09 -0.06 0.00 -1.65 0.00 0.00 29.97 28.54 2k06 h ARG 53 CO 0.01 0.26 0.66 0.78 0.56 0.00 0.00 179.97 182.24 2k06 h GLY 54 N 0.40 0.44 -6.00 0.04 0.00 -1.81 -3.38 103.07 92.76 2k06 h GLY 54 Ca 0.29 -0.08 0.12 0.00 0.00 0.00 0.00 47.33 47.65 2k06 h GLY 54 CO -0.08 -0.02 -0.19 -0.32 0.00 0.00 0.00 176.54 175.93 2k06 s GLY 55 N -3.92 -0.94 0.34 4.60 0.00 0.02 -5.02 107.32 102.40 2k06 s GLY 55 Ca -0.06 1.83 0.04 0.00 0.00 0.00 0.00 44.72 46.53 2k06 s GLY 55 CO 0.78 3.66 1.95 1.46 0.00 0.00 0.00 173.10 180.95 2k06 h GLN 56 N 7.89 0.82 -7.06 2.90 4.20 -1.73 -3.42 115.11 118.71 2k06 h GLN 56 Ca -0.13 -0.05 -0.51 0.00 0.06 0.00 0.00 58.65 58.02 2k06 h GLN 56 Cb 1.17 -0.19 0.08 0.00 0.30 0.00 0.00 27.48 28.85 2k06 h GLN 56 CO 0.11 0.54 0.47 1.03 -0.67 0.00 0.00 178.83 180.31 2k06 s ARG 57 N -5.75 3.37 -0.11 1.46 0.52 -1.26 -5.01 118.95 112.17 2k06 s ARG 57 Ca -0.10 1.75 -0.06 0.00 -0.52 0.00 0.00 55.73 56.80 2k06 s ARG 57 Cb 0.19 -2.12 -0.04 0.00 0.52 0.00 0.00 34.95 33.50 2k06 s ARG 57 CO 0.78 -0.86 0.11 0.50 0.02 0.00 0.00 175.30 175.85 2k06 s ARG 58 N -3.10 3.35 0.12 3.54 3.52 -1.26 -5.10 118.95 120.01 2k06 s ARG 58 Ca 0.71 -0.20 0.08 0.00 -0.13 0.00 0.00 55.73 56.19 2k06 s ARG 58 Cb -0.28 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 2k06 s ARG 58 CO 0.32 0.76 -0.11 0.15 -0.81 0.00 0.00 175.30 175.60 2k06 s LYS 59 N -1.05 2.05 0.55 5.12 -0.14 -1.26 -4.99 119.74 120.02 2k06 s LYS 59 Ca 0.15 -1.08 0.26 0.00 -1.36 0.00 0.00 55.97 53.94 2k06 s LYS 59 Cb -0.12 -2.25 1.46 0.00 -1.68 0.00 0.00 37.83 35.24 2k06 s LYS 59 CO 0.04 0.49 2.01 1.03 -0.76 0.00 0.00 175.35 178.17 2k06 h SER 60 N 3.54 0.00 -4.33 2.83 0.87 -2.07 -3.47 113.55 110.92 2k06 h SER 60 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 2k06 h SER 60 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2k06 h SER 60 CO 0.51 0.00 -0.94 -0.62 -0.53 0.00 0.00 176.83 175.25 2k06 n GLU 61 N -4.16 -5.32 -4.41 2.24 1.02 -1.26 -5.02 120.64 103.73 2k06 n GLU 61 Ca 0.07 3.81 -0.21 0.00 -0.02 0.00 0.00 57.16 60.81 2k06 n GLU 61 Cb 0.53 -4.15 -0.13 0.00 -0.02 0.00 0.00 31.44 27.67 2k06 n GLU 61 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2k06 s ARG 62 N -1.54 1.03 -0.11 3.49 0.52 -1.26 -5.13 118.95 115.95 2k06 s ARG 62 Ca 0.00 -0.82 0.02 0.00 -0.52 0.00 0.00 55.73 54.41 2k06 s ARG 62 Cb 0.00 -1.07 0.01 0.00 0.52 0.00 0.00 34.95 34.41 2k06 s ARG 62 CO 0.00 0.27 -0.16 0.15 0.02 0.00 0.00 175.30 175.57 2k06 s LYS 63 N -1.19 2.33 0.19 3.54 1.02 -1.26 -5.01 119.74 119.35 2k06 s LYS 63 Ca 0.03 -0.60 -0.12 0.00 0.02 0.00 0.00 55.97 55.29 2k06 s LYS 63 Cb -0.08 -1.96 0.15 0.00 -0.52 0.00 0.00 37.83 35.42 2k06 s LYS 63 CO 0.01 -0.05 1.80 0.74 -0.92 0.00 0.00 175.35 176.93 2k06 h PHE 64 N 7.40 0.56 -2.48 3.18 0.04 -1.95 -3.33 116.94 120.35 2k06 h PHE 64 Ca -0.31 0.02 -0.59 0.00 2.80 0.00 0.00 57.97 59.88 2k06 h PHE 64 Cb 1.18 -0.17 -0.39 0.00 2.20 0.00 0.00 35.95 38.77 2k06 h PHE 64 CO 0.48 0.29 -0.91 1.97 -0.60 0.00 0.00 178.31 179.54 2k06 n PHE 65 N -4.83 -0.12 -2.27 -0.55 -1.74 -1.26 -5.11 117.46 101.58 2k06 n PHE 65 Ca 0.05 -3.50 -0.39 0.00 -0.56 0.00 0.00 57.45 53.05 2k06 n PHE 65 Cb 0.13 0.08 -0.02 0.00 1.52 0.00 0.00 39.48 41.18 2k06 n PHE 65 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 2k06 s PRO 66 N -0.29 4.08 0.00 3.97 0.04 -1.25 -2.99 135.00 138.56 2k06 s PRO 66 Ca 0.32 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2k06 s PRO 66 Cb 0.03 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.85 2k06 s PRO 66 CO -0.19 -0.31 0.00 0.41 0.04 0.00 0.00 177.00 176.95 2k06 n GLY 67 N 0.67 0.52 3.09 0.56 0.00 -1.26 -4.94 105.19 103.83 2k06 n GLY 67 Ca 0.04 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 2.65 0.01 1.61 1.51 -1.16 -2.43 117.35 117.54 2k06 s TYR 68 Ca 0.00 -1.59 0.03 0.00 -1.01 0.00 0.00 57.07 54.50 2k06 s TYR 68 Cb 0.00 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 2k06 s TYR 68 CO 0.00 -0.78 -0.11 0.08 -1.11 0.00 0.00 175.55 173.63 2k06 s VAL 69 N 1.33 0.85 -0.17 0.71 1.01 -0.94 -4.50 120.40 118.69 2k06 s VAL 69 Ca 0.04 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 2k06 s VAL 69 Cb -0.14 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 2k06 s VAL 69 CO -0.12 0.11 0.01 -0.76 0.00 0.00 0.00 175.10 174.35 2k06 s LEU 70 N -0.59 3.53 -0.02 3.92 2.01 -1.25 -0.22 118.68 126.06 2k06 s LEU 70 Ca 0.02 -0.03 -0.00 0.00 0.01 0.00 0.00 54.13 54.13 2k06 s LEU 70 Cb -0.05 -1.88 0.03 0.00 0.01 0.00 0.00 46.19 44.30 2k06 s LEU 70 CO 0.00 0.16 0.03 -0.69 1.01 0.00 0.00 176.35 176.86 2k06 s VAL 71 N 0.41 -0.03 0.21 -1.59 1.01 -0.91 0.14 120.40 119.64 2k06 s VAL 71 Ca -0.00 0.22 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 2k06 s VAL 71 Cb -0.13 -0.11 -0.08 0.00 0.00 0.00 0.00 36.38 36.05 2k06 s VAL 71 CO 0.02 0.11 1.04 -1.58 0.00 0.00 0.00 175.10 174.68 2k06 s GLN 72 N 1.19 4.68 0.00 2.72 0.74 -0.05 -2.50 119.66 126.45 2k06 s GLN 72 Ca -0.08 1.65 0.00 0.00 0.05 0.00 0.00 55.36 56.98 2k06 s GLN 72 Cb -0.13 -3.27 0.00 0.00 1.10 0.00 0.00 33.01 30.71 2k06 s GLN 72 CO -0.03 0.24 0.00 -0.12 -0.55 0.00 0.00 175.29 174.83 2k06 n MET 73 N 1.92 0.00 -2.93 1.67 1.56 -0.36 -1.74 117.12 117.24 2k06 n MET 73 Ca 0.01 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 57.02 2k06 n MET 73 Cb 0.46 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 35.79 2k06 n MET 73 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 2k06 s VAL 74 N -2.00 4.91 -0.04 1.12 1.01 -1.22 -4.34 120.40 119.84 2k06 s VAL 74 Ca 0.00 1.56 -0.30 0.00 0.00 0.00 0.00 61.98 63.24 2k06 s VAL 74 Cb 0.00 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 2k06 s VAL 74 CO 0.00 0.05 1.67 -0.04 0.00 0.00 0.00 175.10 176.78 2k06 s MET 75 N 2.02 4.18 0.36 2.72 -1.94 -1.26 -4.76 119.30 120.62 2k06 s MET 75 Ca 0.37 2.22 -0.04 0.00 -1.71 0.00 0.00 55.69 56.53 2k06 s MET 75 Cb -0.17 -3.96 0.01 0.00 2.01 0.00 0.00 34.83 32.73 2k06 s MET 75 CO 0.12 -0.84 0.54 0.54 -0.01 0.00 0.00 175.02 175.38 2k06 s ASN 76 N 3.31 0.81 0.29 3.03 4.22 -1.26 -4.96 114.94 120.39 2k06 s ASN 76 Ca 0.74 -1.45 0.02 0.00 -2.14 0.00 0.00 52.86 50.03 2k06 s ASN 76 Cb -0.34 0.71 0.46 0.00 1.28 0.00 0.00 41.25 43.36 2k06 s ASN 76 CO 0.30 -1.39 1.78 0.44 -2.04 0.00 0.00 177.10 176.20 2k06 h ASP 77 N 2.07 0.56 0.00 3.54 3.32 -1.97 -0.66 116.42 123.28 2k06 h ASP 77 Ca -0.29 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2k06 h ASP 77 Cb 1.24 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2k06 h ASP 77 CO 0.39 0.70 0.00 0.00 -1.72 0.00 0.00 179.24 178.61 2k06 n ALA 78 N -2.48 -0.11 -0.23 3.45 0.00 -1.26 -1.28 120.51 118.59 2k06 n ALA 78 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.42 2k06 n ALA 78 Cb 0.32 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.80 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 -1.03 0.02 0.00 0.02 -1.86 1.28 113.55 111.97 2k06 h SER 79 Ca 0.00 0.23 0.03 0.00 -0.84 0.00 0.00 61.79 61.21 2k06 h SER 79 Cb 0.00 0.55 -0.04 0.00 0.14 0.00 0.00 62.40 63.06 2k06 h SER 79 CO 0.00 -0.28 -0.20 -0.25 -1.14 0.00 0.00 176.83 174.96 2k06 h TRP 80 N -0.10 -0.52 -0.40 3.45 7.01 -1.25 -1.31 115.95 122.84 2k06 h TRP 80 Ca 0.28 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.26 2k06 h TRP 80 Cb 0.55 0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.82 2k06 h TRP 80 CO -0.64 -0.28 0.10 0.45 -2.79 0.00 0.00 178.44 175.29 2k06 h HIS 81 N -0.33 0.60 -0.80 2.65 3.86 0.37 -2.40 115.15 119.10 2k06 h HIS 81 Ca 0.05 -0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.27 2k06 h HIS 81 Cb 0.39 -0.18 -0.05 0.00 1.06 0.00 0.00 27.41 28.63 2k06 h HIS 81 CO -0.23 0.51 0.50 1.25 0.86 0.00 0.00 177.93 180.82 2k06 h LEU 82 N 0.58 0.80 -0.51 2.43 5.85 0.26 -0.46 115.31 124.27 2k06 h LEU 82 Ca 0.14 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.90 2k06 h LEU 82 Cb 0.21 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 2k06 h LEU 82 CO -0.00 0.54 0.28 0.58 -0.34 0.00 0.00 178.44 179.49 2k06 h VAL 83 N 0.95 1.00 0.00 1.05 2.07 -0.79 -1.00 116.25 119.53 2k06 h VAL 83 Ca 0.33 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.59 2k06 h VAL 83 Cb 0.07 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2k06 h VAL 83 CO -0.14 0.10 -0.36 -0.09 0.02 0.00 0.00 177.57 177.10 2k06 h ARG 84 N 0.55 0.00 0.06 1.57 2.43 -1.33 -3.02 114.38 114.63 2k06 h ARG 84 Ca 0.22 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2k06 h ARG 84 Cb 0.09 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2k06 h ARG 84 CO -0.13 0.36 -0.04 0.77 -1.51 0.00 0.00 179.97 179.42 2k06 h SER 85 N 0.00 -0.11 -3.32 -3.80 0.02 0.25 -3.40 113.55 103.19 2k06 h SER 85 Ca -0.00 0.01 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 2k06 h SER 85 Cb 0.65 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 2k06 h SER 85 CO 0.05 -0.07 0.47 0.54 -1.14 0.00 0.00 176.83 176.67 2k06 s VAL 86 N -6.18 4.68 0.13 2.27 0.11 -0.99 -5.04 120.40 115.38 2k06 s VAL 86 Ca -0.14 1.93 -0.02 0.00 -2.93 0.00 0.00 61.98 60.82 2k06 s VAL 86 Cb 0.06 -4.24 0.03 0.00 -1.53 0.00 0.00 36.38 30.71 2k06 s VAL 86 CO 0.66 0.11 0.12 -0.81 -3.33 0.00 0.00 175.10 171.84 2k06 n PRO 87 N 4.24 -1.21 -1.70 1.54 -0.04 -1.26 -4.14 135.00 132.41 2k06 n PRO 87 Ca 0.07 -0.19 -0.20 0.00 -0.04 0.00 0.00 63.50 63.15 2k06 n PRO 87 Cb 0.49 -0.18 -0.07 0.00 -0.04 0.00 0.00 33.50 33.71 2k06 n PRO 87 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k06 n ARG 88 N -1.85 -1.39 -4.05 0.54 1.74 -1.26 -4.94 116.66 105.44 2k06 n ARG 88 Ca 0.02 1.15 -0.32 0.00 -0.77 0.00 0.00 57.85 57.93 2k06 n ARG 88 Cb 0.06 -5.52 -0.15 0.00 -1.02 0.00 0.00 32.46 25.83 2k06 n ARG 88 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2k06 s VAL 89 N -2.77 2.23 0.19 1.55 1.01 -1.26 -3.71 120.40 117.64 2k06 s VAL 89 Ca 0.00 -1.78 -0.12 0.00 0.00 0.00 0.00 61.98 60.08 2k06 s VAL 89 Cb 0.00 -2.38 0.11 0.00 0.00 0.00 0.00 36.38 34.11 2k06 s VAL 89 CO 0.00 -0.15 1.85 0.24 0.00 0.00 0.00 175.10 177.04 2k06 h MET 90 N 7.75 0.87 0.00 2.72 2.86 -1.41 -3.48 114.93 124.24 2k06 h MET 90 Ca -0.16 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 2k06 h MET 90 Cb 1.04 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2k06 h MET 90 CO 0.48 0.59 0.00 0.41 1.06 0.00 0.00 176.91 179.44 2k06 n GLY 91 N -1.25 0.05 3.72 8.32 0.00 -1.16 -4.98 105.19 109.88 2k06 n GLY 91 Ca 0.05 -1.12 -0.23 0.00 0.00 0.00 0.00 46.02 44.72 2k06 n GLY 91 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k06 s PHE 92 N -4.00 2.84 -0.12 1.61 0.08 -1.26 -0.47 117.98 116.65 2k06 s PHE 92 Ca 0.00 -0.20 0.01 0.00 0.12 0.00 0.00 56.93 56.85 2k06 s PHE 92 Cb 0.00 -1.32 -0.01 0.00 -0.57 0.00 0.00 43.02 41.12 2k06 s PHE 92 CO 0.00 0.55 -0.15 0.42 -0.10 0.00 0.00 175.22 175.94 2k06 s ILE 93 N -2.27 2.85 -0.73 0.64 -1.09 -1.23 -4.71 121.20 114.65 2k06 s ILE 93 Ca 0.33 -0.73 0.00 0.00 -2.23 0.00 0.00 60.65 58.01 2k06 s ILE 93 Cb -0.06 -2.18 0.00 0.00 -1.58 0.00 0.00 42.46 38.64 2k06 s ILE 93 CO 0.22 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 175.07 2k06 n GLY 94 N 3.53 0.49 0.00 6.18 0.00 -1.26 -4.51 105.19 109.62 2k06 n GLY 94 Ca -0.18 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 0.00 -0.56 3.02 -0.02 0.00 -1.26 -4.87 105.19 101.50 2k06 n GLY 95 Ca 0.00 0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2k06 n GLY 95 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k06 n THR 96 N -0.02 0.00 -0.02 2.61 -2.24 -1.26 -5.01 114.28 108.35 2k06 n THR 96 Ca 0.00 -2.06 0.01 0.00 -2.27 0.00 0.00 64.05 59.73 2k06 n THR 96 Cb 0.00 0.57 0.19 0.00 -2.10 0.00 0.00 70.33 69.00 2k06 n THR 96 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2k06 n SER 97 N -1.42 3.47 -0.00 3.42 3.41 -1.26 -3.63 113.62 117.60 2k06 n SER 97 Ca -0.12 -2.54 0.01 0.00 -0.26 0.00 0.00 58.87 55.96 2k06 n SER 97 Cb 0.54 -0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 63.86 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 0.22 4.39 -3.26 4.04 8.00 -1.26 -4.73 116.55 123.94 2k06 n ASP 98 Ca 0.17 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.61 2k06 n ASP 98 Cb 0.81 0.96 -0.04 0.00 -0.02 0.00 0.00 41.12 42.82 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 -2.15 0.61 -0.05 -1.24 1.81 -1.24 -5.06 118.95 111.64 2k06 s ARG 99 Ca -0.01 -0.16 -0.30 0.00 -1.72 0.00 0.00 55.73 53.55 2k06 s ARG 99 Cb 0.01 -0.19 -0.06 0.00 -0.45 0.00 0.00 34.95 34.26 2k06 s ARG 99 CO 0.11 -1.12 1.83 -1.25 -0.68 0.00 0.00 175.30 174.19 2k06 s PRO 100 N 2.11 4.01 0.42 3.54 0.04 -1.26 -4.05 135.00 139.82 2k06 s PRO 100 Ca 0.13 2.28 -0.26 0.00 0.04 0.00 0.00 61.00 63.20 2k06 s PRO 100 Cb -0.10 -4.10 -0.09 0.00 0.04 0.00 0.00 34.50 30.24 2k06 s PRO 100 CO -0.16 -1.07 1.37 0.00 0.04 0.00 0.00 177.00 177.18 2k06 n ALA 101 N 7.91 1.78 -1.62 8.56 0.00 -1.26 -4.93 120.51 130.94 2k06 n ALA 101 Ca 0.20 0.27 -0.34 0.00 0.00 0.00 0.00 53.44 53.58 2k06 n ALA 101 Cb 0.43 -2.34 0.03 0.00 0.00 0.00 0.00 19.45 17.56 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 -2.28 3.07 0.17 0.00 0.04 -1.26 -4.79 135.00 129.95 2k06 s PRO 102 Ca 0.60 1.43 0.08 0.00 0.04 0.00 0.00 61.00 63.14 2k06 s PRO 102 Cb -0.48 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 2k06 s PRO 102 CO 0.59 -1.04 -0.16 0.96 0.04 0.00 0.00 177.00 177.38 2k06 s ILE 103 N -2.18 1.73 0.39 0.56 -4.36 -1.16 -5.05 121.20 111.13 2k06 s ILE 103 Ca 0.68 -1.99 -0.26 0.00 -0.26 0.00 0.00 60.65 58.82 2k06 s ILE 103 Cb -0.21 -1.87 -0.09 0.00 1.25 0.00 0.00 42.46 41.55 2k06 s ILE 103 CO 0.36 -0.42 1.18 -0.44 0.24 0.00 0.00 174.94 175.85 2k06 s SER 104 N -2.86 6.58 0.38 4.36 0.01 -1.26 -4.44 113.70 116.47 2k06 s SER 104 Ca 0.17 2.37 0.08 0.00 1.31 0.00 0.00 55.95 59.88 2k06 s SER 104 Cb -0.04 -2.62 0.83 0.00 0.21 0.00 0.00 66.02 64.40 2k06 s SER 104 CO 0.06 -0.63 1.94 0.44 0.41 0.00 0.00 173.24 175.46 2k06 h ASP 105 N 2.76 0.59 -0.82 2.44 3.32 -1.97 -0.61 116.42 122.13 2k06 h ASP 105 Ca -0.49 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 2k06 h ASP 105 Cb 1.23 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 2k06 h ASP 105 CO 0.63 0.36 0.39 0.50 -1.72 0.00 0.00 179.24 179.40 2k06 h LYS 106 N 0.66 1.19 -0.66 3.56 3.64 -2.00 -2.51 116.57 120.45 2k06 h LYS 106 Ca 0.34 -0.18 0.09 0.00 -1.27 0.00 0.00 60.65 59.63 2k06 h LYS 106 Cb 0.44 -0.21 -0.07 0.00 -0.41 0.00 0.00 32.23 31.97 2k06 h LYS 106 CO -0.12 0.92 0.30 1.49 -2.27 0.00 0.00 179.45 179.77 2k06 h GLU 107 N 1.17 0.51 -0.97 1.90 4.81 -1.47 -0.15 114.58 120.38 2k06 h GLU 107 Ca 0.28 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.53 2k06 h GLU 107 Cb 0.12 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 2k06 h GLU 107 CO -0.03 0.34 0.63 0.28 -0.73 0.00 0.00 179.01 179.49 2k06 h VAL 108 N 0.52 1.12 -0.55 0.32 2.07 -1.36 -1.07 116.25 117.30 2k06 h VAL 108 Ca 0.32 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 2k06 h VAL 108 Cb 0.35 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 2k06 h VAL 108 CO -0.27 0.21 0.13 0.44 0.02 0.00 0.00 177.57 178.10 2k06 h ASP 109 N 1.17 0.80 -0.27 0.57 3.32 -0.90 -2.75 116.42 118.36 2k06 h ASP 109 Ca 0.40 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2k06 h ASP 109 Cb 0.09 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2k06 h ASP 109 CO -0.15 0.79 0.18 0.00 -1.72 0.00 0.00 179.24 178.34 2k06 h ALA 110 N 1.32 0.35 -0.52 3.45 0.00 -0.21 -1.35 119.26 122.28 2k06 h ALA 110 Ca 0.18 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.17 2k06 h ALA 110 Cb 0.31 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 2k06 h ALA 110 CO 0.00 -0.18 0.04 0.82 0.00 0.00 0.00 179.25 179.93 2k06 h ILE 111 N 0.37 0.63 -0.27 0.00 2.04 -1.15 0.17 117.51 119.29 2k06 h ILE 111 Ca 0.10 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 2k06 h ILE 111 Cb -0.04 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2k06 h ILE 111 CO -0.02 0.03 0.01 0.24 0.00 0.00 0.00 178.15 178.41 2k06 h MET 112 N 0.16 0.40 -0.44 2.37 2.86 -1.32 -1.87 114.93 117.11 2k06 h MET 112 Ca 0.27 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2k06 h MET 112 Cb 0.40 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 2k06 h MET 112 CO -0.41 0.43 0.26 -0.91 1.06 0.00 0.00 176.91 177.35 2k06 h ASN 113 N 0.39 0.51 -1.00 1.22 2.35 0.45 -1.77 115.58 117.74 2k06 h ASN 113 Ca 0.09 -0.02 0.11 0.00 -0.55 0.00 0.00 56.30 55.93 2k06 h ASN 113 Cb 0.25 -0.13 -0.08 0.00 0.05 0.00 0.00 38.32 38.41 2k06 h ASN 113 CO 0.01 0.39 0.63 0.03 -1.65 0.00 0.00 177.43 176.84 2k06 h ARG 114 N 0.60 0.98 -0.94 0.81 3.08 -0.75 -0.13 114.38 118.03 2k06 h ARG 114 Ca 0.16 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.22 2k06 h ARG 114 Cb -0.03 -0.22 -0.07 0.00 0.08 0.00 0.00 29.97 29.74 2k06 h ARG 114 CO -0.03 0.65 0.60 -0.07 -1.07 0.00 0.00 179.97 180.04 2k06 h LEU 115 N 1.01 0.94 -1.33 3.04 3.38 -1.41 -0.12 115.31 120.83 2k06 h LEU 115 Ca 0.49 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.41 2k06 h LEU 115 Cb 0.46 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2k06 h LEU 115 CO -0.25 0.59 -0.21 1.56 0.09 0.00 0.00 178.44 180.22 2k06 h GLN 116 N 1.07 0.19 -6.94 1.13 4.20 -1.08 -3.43 115.11 110.25 2k06 h GLN 116 Ca 0.42 -0.05 -0.53 0.00 0.06 0.00 0.00 58.65 58.54 2k06 h GLN 116 Cb 0.20 -0.02 0.09 0.00 0.30 0.00 0.00 27.48 28.06 2k06 h GLN 116 CO -0.18 0.40 0.68 -1.14 -0.67 0.00 0.00 178.83 177.91 2k06 s GLN 117 N -4.56 4.00 -0.01 1.46 0.74 -0.06 -5.01 119.66 116.23 2k06 s GLN 117 Ca -0.05 2.33 0.05 0.00 0.05 0.00 0.00 55.36 57.74 2k06 s GLN 117 Cb 0.15 -2.84 -0.03 0.00 1.10 0.00 0.00 33.01 31.39 2k06 s GLN 117 CO 0.73 -0.52 -0.15 0.08 -0.55 0.00 0.00 175.29 174.88 2k06 s VAL 118 N -1.19 3.02 0.38 1.34 1.01 -1.26 -5.00 120.40 118.71 2k06 s VAL 118 Ca 0.55 -0.89 0.14 0.00 0.00 0.00 0.00 61.98 61.78 2k06 s VAL 118 Cb -0.42 -2.23 0.36 0.00 0.00 0.00 0.00 36.38 34.09 2k06 s VAL 118 CO 0.55 0.48 1.82 1.23 0.00 0.00 0.00 175.10 179.18 2k06 h GLY 119 N 4.96 1.16 0.00 4.51 0.00 -1.97 -3.42 103.07 108.32 2k06 h GLY 119 Ca -0.47 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.62 2k06 h GLY 119 CO 0.50 -0.03 0.00 1.34 0.00 0.00 0.00 176.54 178.35 2k06 n ASP 120 N -4.59 0.00 -3.45 0.19 2.03 -1.26 -5.06 116.55 104.41 2k06 n ASP 120 Ca 0.21 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.32 2k06 n ASP 120 Cb 0.69 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 41.12 2k06 n ASP 120 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2k06 n LYS 121 N -0.85 -1.50 -2.29 -0.67 4.81 -1.26 -4.92 118.16 111.48 2k06 n LYS 121 Ca 0.00 0.83 -0.36 0.00 -0.87 0.00 0.00 58.31 57.90 2k06 n LYS 121 Cb 0.00 -4.67 -0.01 0.00 0.02 0.00 0.00 35.03 30.38 2k06 n LYS 121 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2k06 s PRO 122 N -4.81 3.67 0.00 1.64 0.04 -1.26 -5.19 135.00 129.09 2k06 s PRO 122 Ca 0.31 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2k06 s PRO 122 Cb -0.09 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.16 2k06 s PRO 122 CO 0.81 -0.60 0.24 0.54 0.04 0.00 0.00 177.00 178.03