#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 0.33 -3.22 7.83 0.02 -2.11 -3.44 113.55 112.95 2k06 h SER 2 Ca 0.00 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 2k06 h SER 2 Cb 0.00 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 2k06 h SER 2 CO 0.00 0.22 -0.15 -0.62 -1.14 0.00 0.00 176.83 175.14 2k06 n GLU 3 N -4.48 -1.97 -1.57 3.45 1.02 -1.26 -4.24 120.64 111.59 2k06 n GLU 3 Ca 0.04 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 2k06 n GLU 3 Cb 0.19 -4.73 0.00 0.00 -0.02 0.00 0.00 31.44 26.88 2k06 n GLU 3 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k06 n ALA 4 N -1.45 -1.95 -1.77 0.62 0.00 -1.26 -4.85 120.51 109.85 2k06 n ALA 4 Ca -0.08 0.45 -0.40 0.00 0.00 0.00 0.00 53.44 53.41 2k06 n ALA 4 Cb 0.42 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 2k06 n ALA 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2k06 s PRO 5 N -3.81 4.43 -0.08 0.00 0.04 -1.26 -5.01 135.00 129.30 2k06 s PRO 5 Ca 0.00 2.01 -0.19 0.00 0.04 0.00 0.00 61.00 62.86 2k06 s PRO 5 Cb 0.00 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 2k06 s PRO 5 CO 0.00 -0.04 0.53 0.21 0.04 0.00 0.00 177.00 177.73 2k06 s LYS 6 N -1.71 4.33 0.01 4.56 2.47 -1.26 -5.06 119.74 123.07 2k06 s LYS 6 Ca 0.48 0.56 -0.15 0.00 -1.56 0.00 0.00 55.97 55.30 2k06 s LYS 6 Cb -0.36 -3.41 -0.06 0.00 -1.46 0.00 0.00 37.83 32.55 2k06 s LYS 6 CO 0.47 0.21 0.42 0.15 0.16 0.00 0.00 175.35 176.76 2k06 s LYS 7 N 0.41 3.94 0.14 4.03 1.02 -1.26 -4.78 119.74 123.24 2k06 s LYS 7 Ca 0.28 0.44 0.08 0.00 0.02 0.00 0.00 55.97 56.79 2k06 s LYS 7 Cb -0.16 -3.21 -0.04 0.00 -0.52 0.00 0.00 37.83 33.90 2k06 s LYS 7 CO 0.13 0.68 -0.18 1.03 -0.92 0.00 0.00 175.35 176.09 2k06 s ARG 8 N -1.11 1.19 -0.11 1.68 0.52 -1.24 -4.94 118.95 114.95 2k06 s ARG 8 Ca 0.25 -1.33 -0.19 0.00 -0.52 0.00 0.00 55.73 53.94 2k06 s ARG 8 Cb -0.17 -1.25 -0.04 0.00 0.52 0.00 0.00 34.95 34.01 2k06 s ARG 8 CO 0.14 0.26 0.51 -1.58 0.02 0.00 0.00 175.30 174.65 2k06 s TRP 9 N -1.91 3.53 0.17 -0.53 0.52 -1.26 -1.18 118.94 118.27 2k06 s TRP 9 Ca 0.13 0.95 0.09 0.00 0.02 0.00 0.00 56.10 57.29 2k06 s TRP 9 Cb -0.06 -2.59 -0.04 0.00 -1.15 0.00 0.00 33.47 29.63 2k06 s TRP 9 CO 0.05 0.16 -0.20 0.71 0.02 0.00 0.00 176.95 177.69 2k06 s TYR 10 N 0.63 1.95 0.19 -1.98 2.02 -1.04 -3.37 117.35 115.75 2k06 s TYR 10 Ca 0.28 -0.43 -0.11 0.00 -0.37 0.00 0.00 57.07 56.44 2k06 s TYR 10 Cb -0.16 -0.98 -0.07 0.00 -0.40 0.00 0.00 41.96 40.35 2k06 s TYR 10 CO 0.12 0.36 0.54 0.08 -1.57 0.00 0.00 175.55 175.08 2k06 s VAL 11 N -1.84 4.93 -0.12 0.71 1.01 -1.26 -2.59 120.40 121.23 2k06 s VAL 11 Ca 0.16 0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.71 2k06 s VAL 11 Cb -0.07 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.68 2k06 s VAL 11 CO 0.07 0.04 -0.12 -0.69 0.00 0.00 0.00 175.10 174.40 2k06 s VAL 12 N -1.69 1.36 0.03 2.92 1.01 -0.59 -3.62 120.40 119.82 2k06 s VAL 12 Ca 0.44 -0.52 -0.25 0.00 0.00 0.00 0.00 61.98 61.65 2k06 s VAL 12 Cb -0.12 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 2k06 s VAL 12 CO 0.20 0.42 0.76 -1.58 0.00 0.00 0.00 175.10 174.91 2k06 s GLN 13 N 1.37 4.49 0.09 2.72 0.74 -0.38 -2.66 119.66 126.02 2k06 s GLN 13 Ca 0.01 1.05 -0.03 0.00 0.05 0.00 0.00 55.36 56.44 2k06 s GLN 13 Cb -0.13 -3.38 -0.03 0.00 1.10 0.00 0.00 33.01 30.56 2k06 s GLN 13 CO -0.07 0.24 0.04 0.00 -0.55 0.00 0.00 175.29 174.96 2k06 s ALA 14 N 0.11 0.48 0.44 1.58 0.00 0.34 -2.08 121.76 122.64 2k06 s ALA 14 Ca 0.39 -1.19 -0.24 0.00 0.00 0.00 0.00 51.96 50.92 2k06 s ALA 14 Cb -0.20 0.51 -0.08 0.00 0.00 0.00 0.00 23.12 23.35 2k06 s ALA 14 CO 0.22 -0.44 1.16 -0.06 0.00 0.00 0.00 175.76 176.64 2k06 s PHE 15 N -3.95 2.97 0.37 0.00 0.08 -1.23 -4.34 117.98 111.87 2k06 s PHE 15 Ca 0.12 1.55 -0.28 0.00 0.12 0.00 0.00 56.93 58.44 2k06 s PHE 15 Cb 0.07 -3.36 -0.11 0.00 -0.57 0.00 0.00 43.02 39.05 2k06 s PHE 15 CO -0.06 -1.38 1.51 0.45 -0.10 0.00 0.00 175.22 175.64 2k06 s SER 16 N -1.30 6.34 0.00 1.36 0.15 -1.26 -1.67 113.70 117.31 2k06 s SER 16 Ca 0.61 3.05 0.00 0.00 0.70 0.00 0.00 55.95 60.31 2k06 s SER 16 Cb -0.29 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.36 2k06 s SER 16 CO 0.35 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.51 2k06 n GLY 17 N 0.69 2.78 1.07 9.45 0.00 -1.26 -4.72 105.19 113.20 2k06 n GLY 17 Ca 0.02 -0.01 0.10 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 0.69 -0.07 1.61 3.72 -0.67 -4.46 117.46 118.29 2k06 n PHE 18 Ca 0.00 -0.43 0.24 0.00 -0.05 0.00 0.00 57.45 57.21 2k06 n PHE 18 Cb 0.00 -0.01 0.71 0.00 -0.94 0.00 0.00 39.48 39.24 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 3.60 0.00 0.00 -1.08 4.81 -1.81 0.67 114.58 120.78 2k06 h GLU 19 Ca 0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2k06 h GLU 19 Cb 0.89 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 2k06 h GLU 19 CO 0.00 0.00 -0.82 0.78 -0.73 0.00 0.00 179.01 178.24 2k06 h GLY 20 N 0.00 0.00 0.92 1.92 0.00 -1.91 -3.33 103.07 100.66 2k06 h GLY 20 Ca 0.32 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.76 2k06 h GLY 20 CO -0.00 0.00 0.45 -0.09 0.00 0.00 0.00 176.54 176.90 2k06 h ARG 21 N -1.00 0.48 -0.85 4.80 2.43 -1.75 0.05 114.38 118.54 2k06 h ARG 21 Ca -0.16 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.02 2k06 h ARG 21 Cb 0.85 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.25 2k06 h ARG 21 CO -0.09 0.32 0.56 0.28 -1.51 0.00 0.00 179.97 179.52 2k06 h VAL 22 N 0.49 1.14 -0.27 0.20 2.07 0.19 -0.98 116.25 119.08 2k06 h VAL 22 Ca 0.32 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 2k06 h VAL 22 Cb 0.58 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2k06 h VAL 22 CO -0.10 0.19 -0.15 0.00 0.02 0.00 0.00 177.57 177.53 2k06 h ALA 23 N 1.50 1.23 -0.23 1.67 0.00 -1.09 -2.33 119.26 120.00 2k06 h ALA 23 Ca 0.34 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2k06 h ALA 23 Cb 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2k06 h ALA 23 CO -0.10 0.50 -0.03 1.15 0.00 0.00 0.00 179.25 180.77 2k06 h THR 24 N 0.44 1.16 -0.18 0.00 2.02 -1.03 -1.81 112.91 113.52 2k06 h THR 24 Ca 0.08 -0.66 -0.06 0.00 0.77 0.00 0.00 66.41 66.54 2k06 h THR 24 Cb 0.53 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 2k06 h THR 24 CO 0.03 0.22 -0.16 0.28 0.37 0.00 0.00 175.52 176.26 2k06 h SER 25 N 0.34 0.28 -0.49 4.18 0.02 -1.13 -2.72 113.55 114.04 2k06 h SER 25 Ca 0.08 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2k06 h SER 25 Cb 0.28 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2k06 h SER 25 CO 0.01 0.47 0.30 -0.07 -1.14 0.00 0.00 176.83 176.39 2k06 h LEU 26 N 0.27 0.58 -0.88 5.07 3.38 -1.29 -0.19 115.31 122.26 2k06 h LEU 26 Ca 0.05 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2k06 h LEU 26 Cb 0.45 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 2k06 h LEU 26 CO 0.03 0.46 0.56 -0.09 0.09 0.00 0.00 178.44 179.49 2k06 h ARG 27 N 0.65 1.02 0.54 1.13 2.43 -1.47 0.61 114.38 119.29 2k06 h ARG 27 Ca 0.18 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 2k06 h ARG 27 Cb -0.02 -0.23 0.01 0.00 -0.42 0.00 0.00 29.97 29.31 2k06 h ARG 27 CO -0.03 0.68 -0.26 0.93 -1.51 0.00 0.00 179.97 179.77 2k06 h GLU 28 N 1.06 -0.70 -0.48 0.20 5.08 -1.34 0.63 114.58 119.03 2k06 h GLU 28 Ca 0.36 0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.84 2k06 h GLU 28 Cb 0.08 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 2k06 h GLU 28 CO -0.14 -0.47 0.14 0.45 -1.00 0.00 0.00 179.01 177.99 2k06 h HIS 29 N -1.16 0.24 -0.33 4.33 3.86 -0.95 0.22 115.15 121.36 2k06 h HIS 29 Ca -0.07 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.11 2k06 h HIS 29 Cb 0.56 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 2k06 h HIS 29 CO 0.00 0.06 -0.00 0.82 0.86 0.00 0.00 177.93 179.67 2k06 h ILE 30 N 0.29 1.26 -0.87 2.45 2.04 0.18 0.72 117.51 123.59 2k06 h ILE 30 Ca 0.23 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 65.15 2k06 h ILE 30 Cb 0.27 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 2k06 h ILE 30 CO -0.27 0.31 0.57 0.50 0.00 0.00 0.00 178.15 179.26 2k06 h LYS 31 N 0.38 1.09 0.13 2.37 3.64 0.10 2.00 116.57 126.29 2k06 h LYS 31 Ca 0.09 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2k06 h LYS 31 Cb 0.45 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2k06 h LYS 31 CO 0.02 0.72 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.79 2k06 h LEU 32 N 1.13 -0.15 0.00 5.20 3.38 -0.40 -2.97 115.31 121.50 2k06 h LEU 32 Ca 0.33 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2k06 h LEU 32 Cb -0.06 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2k06 h LEU 32 CO -0.10 0.36 0.00 1.41 0.09 0.00 0.00 178.44 180.20 2k06 n HIS 33 N -4.93 0.00 -3.40 1.13 8.25 0.23 -4.88 115.22 111.61 2k06 n HIS 33 Ca -0.08 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.19 2k06 n HIS 33 Cb 0.26 -0.35 0.08 0.00 1.12 0.00 0.00 29.99 31.11 2k06 n HIS 33 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2k06 n ASN 34 N -1.35 -3.60 -0.44 0.41 3.02 0.65 -4.88 115.26 109.07 2k06 n ASN 34 Ca 0.09 -0.55 0.13 0.00 -0.03 0.00 0.00 54.58 54.22 2k06 n ASN 34 Cb 0.20 -4.77 0.38 0.00 -0.61 0.00 0.00 39.78 34.99 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 -4.21 1.37 -0.35 3.52 2.81 0.28 -4.25 117.12 116.28 2k06 n MET 35 Ca -0.16 -0.88 0.27 0.00 -1.81 0.00 0.00 57.70 55.12 2k06 n MET 35 Cb 0.62 -1.48 0.52 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 2.15 0.25 -0.82 0.03 5.08 -1.87 0.74 114.58 120.14 2k06 h GLU 36 Ca 0.00 -0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.49 2k06 h GLU 36 Cb 0.57 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.67 2k06 h GLU 36 CO 0.00 0.17 0.40 -0.44 -1.00 0.00 0.00 179.01 178.13 2k06 h ASP 37 N 0.26 0.46 -0.11 1.42 3.32 -1.96 -1.40 116.42 118.41 2k06 h ASP 37 Ca 0.75 0.09 -0.13 0.00 0.02 0.00 0.00 57.03 57.76 2k06 h ASP 37 Cb 1.89 0.03 0.01 0.00 0.22 0.00 0.00 39.33 41.47 2k06 h ASP 37 CO -0.55 0.19 -0.44 -0.07 -1.72 0.00 0.00 179.24 176.65 2k06 h LEU 38 N 0.57 0.58 -9.73 1.55 3.38 0.15 -3.44 115.31 108.38 2k06 h LEU 38 Ca 0.44 -0.63 -0.51 0.00 0.09 0.00 0.00 57.88 57.27 2k06 h LEU 38 Cb 0.63 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 41.23 2k06 h LEU 38 CO -0.37 1.11 0.52 -0.36 0.09 0.00 0.00 178.44 179.44 2k06 s PHE 39 N -3.74 3.47 -0.00 1.13 0.40 -0.53 -0.29 117.98 118.41 2k06 s PHE 39 Ca -0.13 1.54 -0.02 0.00 -0.60 0.00 0.00 56.93 57.72 2k06 s PHE 39 Cb 0.05 -3.38 -0.01 0.00 0.51 0.00 0.00 43.02 40.20 2k06 s PHE 39 CO 0.81 -0.95 -0.05 0.41 0.70 0.00 0.00 175.22 176.15 2k06 n GLY 40 N 1.70 -0.17 3.07 4.36 0.00 0.88 -4.80 105.19 110.23 2k06 n GLY 40 Ca 0.02 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.45 0.55 0.08 1.61 2.12 -1.22 -4.99 118.70 115.41 2k06 s GLU 41 Ca -0.04 -0.85 0.09 0.00 0.36 0.00 0.00 54.97 54.53 2k06 s GLU 41 Cb 0.01 -0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.16 2k06 s GLU 41 CO 0.06 0.02 -0.21 0.08 -0.54 0.00 0.00 175.26 174.67 2k06 s VAL 42 N -1.86 2.61 0.00 3.70 1.01 -1.26 -0.31 120.40 124.29 2k06 s VAL 42 Ca -0.07 -1.44 0.08 0.00 0.00 0.00 0.00 61.98 60.56 2k06 s VAL 42 Cb -0.07 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 2k06 s VAL 42 CO -0.01 0.21 -0.25 -0.04 0.00 0.00 0.00 175.10 175.01 2k06 s MET 43 N -1.77 1.94 -0.36 2.72 1.00 0.13 -4.98 119.30 117.98 2k06 s MET 43 Ca 0.15 -0.96 0.03 0.00 0.00 0.00 0.00 55.69 54.91 2k06 s MET 43 Cb -0.10 -1.95 0.16 0.00 0.00 0.00 0.00 34.83 32.93 2k06 s MET 43 CO 0.07 0.53 0.40 0.08 0.00 0.00 0.00 175.02 176.10 2k06 s VAL 44 N -0.66 -0.45 -1.44 -6.03 1.01 -1.26 -3.65 120.40 107.91 2k06 s VAL 44 Ca 0.10 -0.76 0.16 0.00 0.00 0.00 0.00 61.98 61.47 2k06 s VAL 44 Cb -0.10 -0.65 0.27 0.00 0.00 0.00 0.00 36.38 35.90 2k06 s VAL 44 CO 0.00 -0.48 1.44 -0.81 0.00 0.00 0.00 175.10 175.25 2k06 n PRO 45 N 4.46 0.23 -2.37 2.72 -0.04 -1.26 -4.77 135.00 133.97 2k06 n PRO 45 Ca 0.09 0.14 -0.31 0.00 -0.04 0.00 0.00 63.50 63.38 2k06 n PRO 45 Cb 0.47 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.56 4.68 -0.99 0.52 -4.23 -1.26 -4.22 115.64 107.58 2k06 s THR 46 Ca 0.15 0.88 -0.14 0.00 -1.18 0.00 0.00 61.69 61.41 2k06 s THR 46 Cb 0.10 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 70.16 2k06 s THR 46 CO 0.24 -0.80 0.71 1.21 -0.54 0.00 0.00 174.62 175.43 2k06 n GLU 47 N -1.93 -1.19 -0.05 3.99 2.13 -1.26 -4.81 120.64 117.51 2k06 n GLU 47 Ca 0.05 0.66 0.04 0.00 0.66 0.00 0.00 57.16 58.58 2k06 n GLU 47 Cb 0.54 -3.67 0.40 0.00 0.27 0.00 0.00 31.44 28.98 2k06 n GLU 47 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2k06 h GLU 48 N -1.15 0.60 -5.49 5.31 4.39 -1.81 -3.40 114.58 113.03 2k06 h GLU 48 Ca -0.55 -0.04 -0.68 0.00 0.34 0.00 0.00 59.36 58.43 2k06 h GLU 48 Cb 1.32 -0.14 -0.32 0.00 -0.10 0.00 0.00 28.75 29.51 2k06 h GLU 48 CO 0.42 0.40 -0.87 0.08 -1.16 0.00 0.00 179.01 177.88 2k06 s VAL 49 N -5.55 2.18 0.22 3.13 1.01 -1.26 -5.00 120.40 115.13 2k06 s VAL 49 Ca -0.09 -0.99 0.14 0.00 0.00 0.00 0.00 61.98 61.05 2k06 s VAL 49 Cb 0.18 -1.83 0.04 0.00 0.00 0.00 0.00 36.38 34.76 2k06 s VAL 49 CO 0.74 0.56 1.65 0.58 0.00 0.00 0.00 175.10 178.63 2k06 h VAL 50 N 5.52 1.21 -0.20 2.92 2.07 -1.97 -3.15 116.25 122.65 2k06 h VAL 50 Ca -0.23 -1.91 -0.03 0.00 0.82 0.00 0.00 66.70 65.36 2k06 h VAL 50 Cb 1.22 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 2k06 h VAL 50 CO 0.48 0.52 0.03 -0.08 0.02 0.00 0.00 177.57 178.53 2k06 h GLU 51 N 0.00 0.34 -4.18 1.57 4.81 -1.96 -3.38 114.58 111.78 2k06 h GLU 51 Ca -0.01 -0.09 -0.65 0.00 -0.13 0.00 0.00 59.36 58.49 2k06 h GLU 51 Cb 1.04 -0.04 -0.40 0.00 0.63 0.00 0.00 28.75 29.98 2k06 h GLU 51 CO 0.07 0.50 -0.70 0.42 -0.73 0.00 0.00 179.01 178.57 2k06 s ILE 52 N -5.15 2.20 0.39 2.32 -1.09 -1.19 -4.96 121.20 113.71 2k06 s ILE 52 Ca -0.14 -2.53 0.19 0.00 -2.23 0.00 0.00 60.65 55.94 2k06 s ILE 52 Cb 0.07 -2.60 0.39 0.00 -1.58 0.00 0.00 42.46 38.74 2k06 s ILE 52 CO 0.72 -0.67 1.71 0.03 -1.23 0.00 0.00 174.94 175.50 2k06 h ARG 53 N 7.32 0.32 0.00 2.79 3.08 -1.75 -3.39 114.38 122.75 2k06 h ARG 53 Ca -0.06 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2k06 h ARG 53 Cb 0.98 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2k06 h ARG 53 CO 0.56 0.21 0.00 0.41 -1.07 0.00 0.00 179.97 180.08 2k06 n GLY 54 N -1.43 -1.69 0.90 0.04 0.00 -1.26 -4.34 105.19 97.42 2k06 n GLY 54 Ca 0.29 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.27 2k06 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k06 n GLY 55 N 0.00 0.50 0.37 -0.02 0.00 -1.26 -4.95 105.19 99.82 2k06 n GLY 55 Ca 0.00 -0.41 0.06 0.00 0.00 0.00 0.00 46.02 45.67 2k06 n GLY 55 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2k06 h GLN 56 N 0.00 0.96 -7.04 1.61 4.15 -1.98 -3.41 115.11 109.40 2k06 h GLN 56 Ca 0.00 -0.06 -0.54 0.00 0.77 0.00 0.00 58.65 58.83 2k06 h GLN 56 Cb 0.86 -0.22 0.11 0.00 0.21 0.00 0.00 27.48 28.44 2k06 h GLN 56 CO 0.00 0.63 0.56 1.03 -1.93 0.00 0.00 178.83 179.13 2k06 s ARG 57 N -5.89 3.31 0.39 1.69 0.52 -1.26 -4.88 118.95 112.84 2k06 s ARG 57 Ca -0.11 2.07 0.08 0.00 -0.52 0.00 0.00 55.73 57.24 2k06 s ARG 57 Cb 0.21 -2.28 0.84 0.00 0.52 0.00 0.00 34.95 34.23 2k06 s ARG 57 CO 0.80 -1.00 2.01 0.00 0.02 0.00 0.00 175.30 177.13 2k06 h ARG 58 N 1.60 0.60 -0.71 3.54 3.08 -2.03 -0.71 114.38 119.74 2k06 h ARG 58 Ca -0.50 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 59.58 2k06 h ARG 58 Cb 1.28 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 31.15 2k06 h ARG 58 CO 0.58 0.40 0.47 0.87 -1.07 0.00 0.00 179.97 181.21 2k06 h LYS 59 N 0.62 0.70 -6.50 0.04 1.57 -1.90 -3.45 116.57 107.64 2k06 h LYS 59 Ca 0.24 -0.04 -0.50 0.00 -1.87 0.00 0.00 60.65 58.47 2k06 h LYS 59 Cb 0.17 -0.16 -0.21 0.00 0.08 0.00 0.00 32.23 32.11 2k06 h LYS 59 CO -0.07 0.46 -0.75 0.43 -0.57 0.00 0.00 179.45 178.96 2k06 n SER 60 N -4.48 -2.98 -4.89 0.86 7.64 -0.28 -4.91 113.62 104.58 2k06 n SER 60 Ca 0.11 -0.86 -0.24 0.00 1.01 0.00 0.00 58.87 58.89 2k06 n SER 60 Cb 0.25 -2.47 -0.04 0.00 -1.01 0.00 0.00 64.21 60.94 2k06 n SER 60 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2k06 s GLU 61 N -6.72 3.21 -0.67 1.43 2.02 -1.26 -4.99 118.70 111.73 2k06 s GLU 61 Ca 0.66 -0.80 0.01 0.00 0.02 0.00 0.00 54.97 54.86 2k06 s GLU 61 Cb -0.37 -2.79 0.17 0.00 0.10 0.00 0.00 34.13 31.24 2k06 s GLU 61 CO 0.81 0.46 0.47 1.03 0.02 0.00 0.00 175.26 178.06 2k06 s ARG 62 N -3.56 2.52 0.50 1.61 0.52 -1.26 -4.90 118.95 114.38 2k06 s ARG 62 Ca 0.33 -2.91 0.22 0.00 -0.52 0.00 0.00 55.73 52.85 2k06 s ARG 62 Cb -0.10 -3.59 1.32 0.00 0.52 0.00 0.00 34.95 33.10 2k06 s ARG 62 CO 0.27 -1.20 2.08 0.87 0.02 0.00 0.00 175.30 177.33 2k06 h LYS 63 N 6.27 0.00 -0.51 3.54 1.57 -2.00 -1.95 116.57 123.49 2k06 h LYS 63 Ca 0.04 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 2k06 h LYS 63 Cb 0.86 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 2k06 h LYS 63 CO 0.73 0.12 -0.11 0.74 -0.57 0.00 0.00 179.45 180.36 2k06 h PHE 64 N 0.00 1.06 -2.26 -1.35 0.04 -2.00 -3.35 116.94 109.08 2k06 h PHE 64 Ca -0.00 -0.21 -0.58 0.00 2.80 0.00 0.00 57.97 59.97 2k06 h PHE 64 Cb 0.24 -0.27 -0.40 0.00 2.20 0.00 0.00 35.95 37.73 2k06 h PHE 64 CO 0.00 1.00 -0.93 1.19 -0.60 0.00 0.00 178.31 178.97 2k06 n PHE 65 N -4.15 0.53 -1.41 -0.55 3.01 -0.79 -4.99 117.46 109.11 2k06 n PHE 65 Ca 0.01 -3.67 -0.40 0.00 1.01 0.00 0.00 57.45 54.41 2k06 n PHE 65 Cb 0.39 -0.23 -0.05 0.00 -0.01 0.00 0.00 39.48 39.58 2k06 n PHE 65 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2k06 n PRO 66 N 1.80 1.63 -1.66 -1.08 -0.04 -0.85 -3.67 135.00 131.13 2k06 n PRO 66 Ca 0.25 -2.05 -0.02 0.00 -0.04 0.00 0.00 63.50 61.64 2k06 n PRO 66 Cb 0.48 -3.12 -0.00 0.00 -0.04 0.00 0.00 33.50 30.81 2k06 n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k06 n GLY 67 N 4.80 0.38 3.44 0.55 0.00 -1.26 -4.74 105.19 108.36 2k06 n GLY 67 Ca 0.49 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.08 3.00 0.01 1.61 1.51 -1.24 -0.50 117.35 119.66 2k06 s TYR 68 Ca 0.00 -0.49 0.03 0.00 -1.01 0.00 0.00 57.07 55.60 2k06 s TYR 68 Cb 0.00 -2.02 -0.01 0.00 -0.11 0.00 0.00 41.96 39.82 2k06 s TYR 68 CO 0.00 -0.21 -0.08 0.08 -1.11 0.00 0.00 175.55 174.23 2k06 s VAL 69 N 0.79 0.64 -0.16 0.71 1.01 -1.09 -4.92 120.40 117.38 2k06 s VAL 69 Ca -0.01 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 2k06 s VAL 69 Cb -0.14 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 2k06 s VAL 69 CO 0.02 0.03 0.06 -0.76 0.00 0.00 0.00 175.10 174.45 2k06 s LEU 70 N -0.57 3.83 -0.08 3.92 1.02 -1.24 -1.54 118.68 124.01 2k06 s LEU 70 Ca 0.00 0.13 -0.03 0.00 0.02 0.00 0.00 54.13 54.25 2k06 s LEU 70 Cb -0.05 -1.95 0.05 0.00 0.02 0.00 0.00 46.19 44.26 2k06 s LEU 70 CO 0.00 0.23 0.17 -0.69 0.02 0.00 0.00 176.35 176.08 2k06 s VAL 71 N 0.03 -0.23 0.02 -1.59 1.01 -1.07 0.22 120.40 118.79 2k06 s VAL 71 Ca 0.06 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.05 2k06 s VAL 71 Cb -0.12 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 2k06 s VAL 71 CO 0.01 0.13 1.04 -1.58 0.00 0.00 0.00 175.10 174.70 2k06 s GLN 72 N 2.08 4.53 0.00 2.72 0.74 0.58 -2.50 119.66 127.81 2k06 s GLN 72 Ca 0.00 1.52 -0.28 0.00 0.05 0.00 0.00 55.36 56.65 2k06 s GLN 72 Cb -0.12 -3.42 0.08 0.00 1.10 0.00 0.00 33.01 30.65 2k06 s GLN 72 CO -0.06 -0.09 0.74 1.41 -0.55 0.00 0.00 175.29 176.74 2k06 s MET 73 N 0.95 1.01 0.57 1.67 1.75 -0.32 -0.08 119.30 124.84 2k06 s MET 73 Ca 0.53 -0.07 -0.18 0.00 -1.25 0.00 0.00 55.69 54.72 2k06 s MET 73 Cb -0.24 0.47 -0.05 0.00 2.84 0.00 0.00 34.83 37.86 2k06 s MET 73 CO 0.29 -0.38 1.12 0.08 -0.65 0.00 0.00 175.02 175.48 2k06 s VAL 74 N -2.26 3.19 -0.38 10.11 1.01 0.60 -3.67 120.40 129.00 2k06 s VAL 74 Ca -0.03 0.70 -0.18 0.00 0.00 0.00 0.00 61.98 62.46 2k06 s VAL 74 Cb -0.01 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 33.13 2k06 s VAL 74 CO -0.01 -0.21 0.51 -0.32 0.00 0.00 0.00 175.10 175.07 2k06 s MET 75 N -3.48 3.44 0.22 2.72 1.75 -1.26 -4.91 119.30 117.78 2k06 s MET 75 Ca 0.71 -0.36 -0.10 0.00 -1.25 0.00 0.00 55.69 54.70 2k06 s MET 75 Cb -0.23 -3.87 -0.01 0.00 2.84 0.00 0.00 34.83 33.56 2k06 s MET 75 CO 0.30 -0.75 0.37 0.54 -0.65 0.00 0.00 175.02 174.84 2k06 s ASN 76 N 1.81 -0.02 0.25 1.11 4.22 -1.26 -5.04 114.94 116.02 2k06 s ASN 76 Ca 0.17 -1.02 0.08 0.00 -2.14 0.00 0.00 52.86 49.95 2k06 s ASN 76 Cb -0.16 0.52 0.30 0.00 1.28 0.00 0.00 41.25 43.19 2k06 s ASN 76 CO 0.14 -1.03 1.58 0.44 -2.04 0.00 0.00 177.10 176.19 2k06 h ASP 77 N 2.38 0.12 0.72 3.54 3.32 -1.99 -2.63 116.42 121.87 2k06 h ASP 77 Ca -0.29 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 56.65 2k06 h ASP 77 Cb 1.25 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.77 2k06 h ASP 77 CO 0.41 0.71 -0.35 0.00 -1.72 0.00 0.00 179.24 178.30 2k06 h ALA 78 N 1.29 -1.09 -0.46 3.45 0.00 -1.99 -2.73 119.26 117.72 2k06 h ALA 78 Ca -0.01 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.77 2k06 h ALA 78 Cb 1.12 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 19.21 2k06 h ALA 78 CO 0.09 -1.02 0.05 0.66 0.00 0.00 0.00 179.25 179.04 2k06 h SER 79 N -1.12 -0.08 -0.81 0.00 4.64 -1.92 -1.18 113.55 113.08 2k06 h SER 79 Ca -0.10 0.09 0.17 0.00 -0.47 0.00 0.00 61.79 61.49 2k06 h SER 79 Cb 0.74 0.15 -0.15 0.00 -0.31 0.00 0.00 62.40 62.83 2k06 h SER 79 CO 0.16 -0.01 -0.15 -0.25 -0.87 0.00 0.00 176.83 175.72 2k06 h TRP 80 N 0.18 -0.33 -0.48 4.77 7.01 -1.43 0.49 115.95 126.16 2k06 h TRP 80 Ca 0.23 0.07 -0.12 0.00 2.11 0.00 0.00 58.89 61.18 2k06 h TRP 80 Cb 0.32 0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 27.64 2k06 h TRP 80 CO -0.25 -0.34 -0.19 0.45 -2.79 0.00 0.00 178.44 175.32 2k06 h HIS 81 N 0.02 1.09 -0.56 2.65 3.86 -0.94 -2.67 115.15 118.60 2k06 h HIS 81 Ca 0.41 -0.25 0.05 0.00 -1.16 0.00 0.00 60.37 59.42 2k06 h HIS 81 Cb 0.66 -0.26 -0.05 0.00 1.06 0.00 0.00 27.41 28.82 2k06 h HIS 81 CO -0.59 1.06 0.29 1.25 0.86 0.00 0.00 177.93 180.80 2k06 h LEU 82 N 0.84 0.42 -0.13 2.43 5.85 0.97 0.29 115.31 125.97 2k06 h LEU 82 Ca 0.11 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2k06 h LEU 82 Cb 0.76 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2k06 h LEU 82 CO 0.06 0.28 0.06 0.58 -0.34 0.00 0.00 178.44 179.09 2k06 h VAL 83 N 0.56 1.13 -0.62 1.05 2.07 -0.77 -1.47 116.25 118.20 2k06 h VAL 83 Ca 0.25 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2k06 h VAL 83 Cb 0.16 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2k06 h VAL 83 CO -0.17 0.11 0.26 0.03 0.02 0.00 0.00 177.57 177.82 2k06 h ARG 84 N 0.09 0.89 0.00 1.57 3.08 -1.09 -1.49 114.38 117.43 2k06 h ARG 84 Ca 0.05 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 2k06 h ARG 84 Cb 0.13 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2k06 h ARG 84 CO -0.01 0.72 -0.22 0.66 -1.07 0.00 0.00 179.97 180.05 2k06 h SER 85 N 0.88 0.00 -2.85 7.04 4.64 -0.07 -3.43 113.55 119.77 2k06 h SER 85 Ca 0.21 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.01 2k06 h SER 85 Cb 0.15 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.28 2k06 h SER 85 CO -0.02 0.22 0.85 -0.69 -0.87 0.00 0.00 176.83 176.33 2k06 s VAL 86 N -4.14 2.80 0.79 0.95 1.01 -0.56 -4.98 120.40 116.27 2k06 s VAL 86 Ca -0.02 0.56 -0.11 0.00 0.00 0.00 0.00 61.98 62.40 2k06 s VAL 86 Cb 0.13 -3.36 0.07 0.00 0.00 0.00 0.00 36.38 33.22 2k06 s VAL 86 CO 0.65 0.04 1.09 -2.16 0.00 0.00 0.00 175.10 174.72 2k06 s PRO 87 N 1.24 2.10 -1.43 2.72 0.04 -1.26 -3.70 135.00 134.71 2k06 s PRO 87 Ca 0.69 1.08 -0.05 0.00 0.04 0.00 0.00 61.00 62.76 2k06 s PRO 87 Cb -0.42 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.24 2k06 s PRO 87 CO 0.31 -1.73 0.63 0.54 0.04 0.00 0.00 177.00 176.80 2k06 n ARG 88 N -3.57 -4.92 -3.88 4.56 1.74 -1.26 -4.92 116.66 104.40 2k06 n ARG 88 Ca 0.09 0.84 -0.28 0.00 -0.77 0.00 0.00 57.85 57.73 2k06 n ARG 88 Cb 0.53 -5.59 -0.16 0.00 -1.02 0.00 0.00 32.46 26.22 2k06 n ARG 88 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2k06 s VAL 89 N -3.16 1.07 0.08 1.55 1.01 -1.24 -3.58 120.40 116.13 2k06 s VAL 89 Ca 0.31 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 2k06 s VAL 89 Cb -0.14 -1.25 -0.10 0.00 0.00 0.00 0.00 36.38 34.89 2k06 s VAL 89 CO 0.39 0.14 1.39 0.24 0.00 0.00 0.00 175.10 177.26 2k06 h MET 90 N 8.13 0.62 0.00 2.72 2.86 -1.73 -3.49 114.93 124.04 2k06 h MET 90 Ca -0.24 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.06 2k06 h MET 90 Cb 1.11 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.79 2k06 h MET 90 CO 0.40 0.94 0.00 0.41 1.06 0.00 0.00 176.91 179.71 2k06 n GLY 91 N 0.20 -0.41 3.81 8.32 0.00 -1.25 -5.02 105.19 110.84 2k06 n GLY 91 Ca -0.05 -0.73 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 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 2.92 -0.15 1.61 0.08 -1.26 -1.25 117.98 115.93 2k06 s PHE 92 Ca 0.00 -0.25 0.02 0.00 0.12 0.00 0.00 56.93 56.82 2k06 s PHE 92 Cb 0.00 -1.60 0.01 0.00 -0.57 0.00 0.00 43.02 40.86 2k06 s PHE 92 CO 0.00 0.35 -0.21 0.42 -0.10 0.00 0.00 175.22 175.68 2k06 s ILE 93 N -2.27 2.16 -0.56 0.64 -1.09 -1.24 -4.75 121.20 114.09 2k06 s ILE 93 Ca 0.37 -0.94 0.00 0.00 -2.23 0.00 0.00 60.65 57.85 2k06 s ILE 93 Cb -0.06 -1.88 0.00 0.00 -1.58 0.00 0.00 42.46 38.94 2k06 s ILE 93 CO 0.25 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 175.11 2k06 n GLY 94 N 4.16 0.12 0.00 6.18 0.00 -1.26 -4.44 105.19 109.95 2k06 n GLY 94 Ca -0.20 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.63 3.45 -0.02 0.00 -1.26 -4.86 105.19 101.87 2k06 n GLY 95 Ca 0.00 0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.06 0.00 -0.08 2.61 -2.24 -1.26 -5.01 114.28 108.24 2k06 n THR 96 Ca 0.00 -2.33 0.00 0.00 -2.27 0.00 0.00 64.05 59.45 2k06 n THR 96 Cb 0.00 0.60 0.20 0.00 -2.10 0.00 0.00 70.33 69.02 2k06 n THR 96 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2k06 n SER 97 N -1.38 3.57 -0.00 3.42 7.64 -1.26 -3.67 113.62 121.94 2k06 n SER 97 Ca -0.15 -2.59 0.00 0.00 1.01 0.00 0.00 58.87 57.14 2k06 n SER 97 Cb 0.62 -0.62 -0.01 0.00 -1.01 0.00 0.00 64.21 63.18 2k06 n SER 97 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k06 n ASP 98 N 0.19 4.62 -3.24 6.43 8.00 -1.26 -4.75 116.55 126.55 2k06 n ASP 98 Ca 0.19 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.65 2k06 n ASP 98 Cb 0.85 0.89 -0.03 0.00 -0.02 0.00 0.00 41.12 42.80 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 -2.09 0.57 -0.03 -1.24 0.52 -1.24 -5.08 118.95 110.37 2k06 s ARG 99 Ca -0.01 0.08 -0.30 0.00 -0.52 0.00 0.00 55.73 54.99 2k06 s ARG 99 Cb 0.01 -0.08 -0.06 0.00 0.52 0.00 0.00 34.95 35.33 2k06 s ARG 99 CO 0.07 -1.09 1.74 -1.25 0.02 0.00 0.00 175.30 174.78 2k06 s PRO 100 N 2.37 4.17 0.38 3.54 0.04 -1.26 -4.05 135.00 140.20 2k06 s PRO 100 Ca 0.12 2.30 -0.27 0.00 0.04 0.00 0.00 61.00 63.19 2k06 s PRO 100 Cb -0.10 -4.03 -0.09 0.00 0.04 0.00 0.00 34.50 30.31 2k06 s PRO 100 CO -0.21 -0.88 1.31 0.00 0.04 0.00 0.00 177.00 177.26 2k06 s ALA 101 N 4.15 3.33 0.63 8.56 0.00 -1.26 -4.94 121.76 132.24 2k06 s ALA 101 Ca 0.77 1.25 -0.16 0.00 0.00 0.00 0.00 51.96 53.83 2k06 s ALA 101 Cb -0.36 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.26 2k06 s ALA 101 CO 0.33 -0.78 1.09 -1.25 0.00 0.00 0.00 175.76 175.16 2k06 s PRO 102 N -2.11 3.03 0.20 0.00 0.04 -1.26 -4.82 135.00 130.08 2k06 s PRO 102 Ca 0.54 1.34 0.09 0.00 0.04 0.00 0.00 61.00 63.02 2k06 s PRO 102 Cb -0.39 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 2k06 s PRO 102 CO 0.50 -1.06 -0.17 0.96 0.04 0.00 0.00 177.00 177.27 2k06 s ILE 103 N -2.33 1.93 0.50 0.56 -4.36 -1.22 -5.05 121.20 111.24 2k06 s ILE 103 Ca 0.66 -2.14 -0.21 0.00 -0.26 0.00 0.00 60.65 58.70 2k06 s ILE 103 Cb -0.19 -2.03 -0.07 0.00 1.25 0.00 0.00 42.46 41.43 2k06 s ILE 103 CO 0.39 -0.45 1.15 -0.44 0.24 0.00 0.00 174.94 175.83 2k06 s SER 104 N -3.11 5.92 0.31 4.36 0.01 -1.26 -4.51 113.70 115.43 2k06 s SER 104 Ca 0.22 2.25 -0.00 0.00 1.31 0.00 0.00 55.95 59.73 2k06 s SER 104 Cb -0.03 -2.59 0.52 0.00 0.21 0.00 0.00 66.02 64.12 2k06 s SER 104 CO 0.08 -1.08 1.97 0.44 0.41 0.00 0.00 173.24 175.06 2k06 h ASP 105 N 1.61 0.88 -0.81 2.44 3.32 -1.99 -1.45 116.42 120.42 2k06 h ASP 105 Ca -0.50 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.52 2k06 h ASP 105 Cb 1.26 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.56 2k06 h ASP 105 CO 0.58 0.62 0.46 0.50 -1.72 0.00 0.00 179.24 179.68 2k06 h LYS 106 N 1.03 1.12 -0.79 3.56 3.64 -2.00 -2.14 116.57 120.99 2k06 h LYS 106 Ca 0.30 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.57 2k06 h LYS 106 Cb -0.04 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 31.51 2k06 h LYS 106 CO -0.08 0.81 0.52 0.93 -2.27 0.00 0.00 179.45 179.37 2k06 h GLU 107 N 1.13 1.03 -0.63 1.90 5.08 -1.63 -1.07 114.58 120.39 2k06 h GLU 107 Ca 0.29 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2k06 h GLU 107 Cb 0.01 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 2k06 h GLU 107 CO -0.05 0.68 0.32 0.28 -1.00 0.00 0.00 179.01 179.25 2k06 h VAL 108 N 1.06 1.20 -0.13 3.13 2.07 -1.19 -1.65 116.25 120.75 2k06 h VAL 108 Ca 0.29 -0.54 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 2k06 h VAL 108 Cb -0.11 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 2k06 h VAL 108 CO -0.07 0.23 -0.45 0.44 0.02 0.00 0.00 177.57 177.74 2k06 h ASP 109 N 0.89 0.33 -0.62 0.57 3.32 -0.92 -2.95 116.42 117.04 2k06 h ASP 109 Ca 0.22 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 2k06 h ASP 109 Cb 0.06 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2k06 h ASP 109 CO -0.03 0.74 0.04 0.00 -1.72 0.00 0.00 179.24 178.27 2k06 h ALA 110 N 1.28 0.89 0.04 3.45 0.00 -0.31 -1.74 119.26 122.86 2k06 h ALA 110 Ca 0.02 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.65 2k06 h ALA 110 Cb 0.90 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2k06 h ALA 110 CO 0.07 0.67 -0.14 0.82 0.00 0.00 0.00 179.25 180.66 2k06 h ILE 111 N 0.99 0.65 -0.75 0.00 2.04 -1.24 -1.89 117.51 117.31 2k06 h ILE 111 Ca 0.18 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.03 2k06 h ILE 111 Cb 0.51 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2k06 h ILE 111 CO 0.02 0.00 0.41 -0.03 0.00 0.00 0.00 178.15 178.55 2k06 h MET 112 N -0.26 1.04 -0.93 2.37 4.05 -1.48 -1.90 114.93 117.83 2k06 h MET 112 Ca 0.04 -0.12 0.16 0.00 -0.28 0.00 0.00 59.70 59.50 2k06 h MET 112 Cb 0.30 -0.21 -0.08 0.00 -0.80 0.00 0.00 31.60 30.82 2k06 h MET 112 CO -0.12 0.77 0.59 -0.91 0.23 0.00 0.00 176.91 177.47 2k06 h ASN 113 N 1.05 0.68 -0.43 1.39 -0.26 -0.52 -1.03 115.58 116.45 2k06 h ASN 113 Ca 0.27 0.05 0.09 0.00 -0.56 0.00 0.00 56.30 56.14 2k06 h ASN 113 Cb 0.03 -0.08 -0.08 0.00 -1.06 0.00 0.00 38.32 37.13 2k06 h ASN 113 CO -0.04 0.32 -0.11 0.03 -1.06 0.00 0.00 177.43 176.57 2k06 h ARG 114 N 0.70 0.00 -0.83 0.81 3.08 -0.86 0.24 114.38 117.52 2k06 h ARG 114 Ca 0.48 -0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.73 2k06 h ARG 114 Cb 0.79 -0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.72 2k06 h ARG 114 CO -0.24 0.00 0.27 1.25 -1.07 0.00 0.00 179.97 180.18 2k06 h LEU 115 N 0.00 0.12 -1.93 3.04 5.85 -1.28 1.09 115.31 122.20 2k06 h LEU 115 Ca 0.21 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 2k06 h LEU 115 Cb 0.32 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 2k06 h LEU 115 CO -0.45 -0.05 -0.11 -0.61 -0.34 0.00 0.00 178.44 176.88 2k06 h GLN 116 N 0.30 0.00 -6.39 1.25 4.15 -0.98 -3.41 115.11 110.03 2k06 h GLN 116 Ca 0.50 0.00 -0.54 0.00 0.77 0.00 0.00 58.65 59.38 2k06 h GLN 116 Cb 0.94 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.61 2k06 h GLN 116 CO -0.56 0.11 0.52 -1.14 -1.93 0.00 0.00 178.83 175.84 2k06 s GLN 117 N -4.48 4.46 -0.08 1.69 0.74 0.37 -5.03 119.66 117.34 2k06 s GLN 117 Ca -0.04 1.57 0.04 0.00 0.05 0.00 0.00 55.36 56.98 2k06 s GLN 117 Cb 0.15 -3.46 -0.01 0.00 1.10 0.00 0.00 33.01 30.79 2k06 s GLN 117 CO 0.62 -0.23 -0.22 0.08 -0.55 0.00 0.00 175.29 174.99 2k06 s VAL 118 N 1.42 2.28 -0.88 1.34 1.01 -1.26 -4.96 120.40 119.35 2k06 s VAL 118 Ca 0.54 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 2k06 s VAL 118 Cb -0.24 -1.87 -0.22 0.00 0.00 0.00 0.00 36.38 34.06 2k06 s VAL 118 CO 0.26 0.56 2.44 0.61 0.00 0.00 0.00 175.10 178.96 2k06 n GLY 119 N 3.18 -0.32 0.62 4.51 0.00 -1.26 -4.67 105.19 107.25 2k06 n GLY 119 Ca -0.18 0.58 0.06 0.00 0.00 0.00 0.00 46.02 46.48 2k06 n GLY 119 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k06 n ASP 120 N 11.22 1.81 -4.76 1.61 5.68 -1.26 -4.91 116.55 125.95 2k06 n ASP 120 Ca 0.59 -1.97 -0.41 0.00 -0.50 0.00 0.00 54.79 52.49 2k06 n ASP 120 Cb 0.22 -0.22 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 2k06 n ASP 120 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2k06 s LYS 121 N -1.57 4.26 0.55 0.11 1.02 -1.26 -4.89 119.74 117.96 2k06 s LYS 121 Ca 0.24 2.34 0.34 0.00 0.02 0.00 0.00 55.97 58.91 2k06 s LYS 121 Cb 0.12 -3.08 1.44 0.00 -0.52 0.00 0.00 37.83 35.80 2k06 s LYS 121 CO 0.17 -0.40 2.00 -1.00 -0.92 0.00 0.00 175.35 175.20 2k06 h PRO 122 N 4.37 0.00 0.00 -1.68 0.13 -2.03 -3.55 132.00 129.25 2k06 h PRO 122 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2k06 h PRO 122 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2k06 h PRO 122 CO 0.73 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.04