#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 0.62 -3.64 7.83 0.02 -2.12 -3.40 113.55 112.86 2k06 h SER 2 Ca 0.00 0.01 -0.68 0.00 -0.84 0.00 0.00 61.79 60.28 2k06 h SER 2 Cb 0.00 -0.12 -0.18 0.00 0.14 0.00 0.00 62.40 62.24 2k06 h SER 2 CO 0.00 0.37 -0.69 -0.70 -1.14 0.00 0.00 176.83 174.67 2k06 s GLU 3 N -5.63 2.73 0.19 3.45 2.12 -1.26 -5.07 118.70 115.24 2k06 s GLU 3 Ca -0.09 -0.57 -0.33 0.00 0.36 0.00 0.00 54.97 54.34 2k06 s GLU 3 Cb 0.20 -2.59 -0.13 0.00 0.26 0.00 0.00 34.13 31.87 2k06 s GLU 3 CO 0.77 0.66 1.61 0.00 -0.54 0.00 0.00 175.26 177.76 2k06 n ALA 4 N 2.11 1.86 -1.77 6.30 0.00 -1.26 -4.93 120.51 122.82 2k06 n ALA 4 Ca -0.18 0.42 -0.38 0.00 0.00 0.00 0.00 53.44 53.31 2k06 n ALA 4 Cb 0.53 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.56 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 0.76 3.99 -0.12 0.00 0.04 -1.26 -5.04 135.00 133.36 2k06 s PRO 5 Ca 0.76 1.81 0.01 0.00 0.04 0.00 0.00 61.00 63.62 2k06 s PRO 5 Cb -0.61 -2.61 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 2k06 s PRO 5 CO 0.38 -0.37 -0.17 0.21 0.04 0.00 0.00 177.00 177.09 2k06 s LYS 6 N -2.40 3.25 -0.09 4.56 2.20 -1.26 -5.11 119.74 120.89 2k06 s LYS 6 Ca 0.59 -0.76 -0.13 0.00 -0.36 0.00 0.00 55.97 55.30 2k06 s LYS 6 Cb -0.30 -2.52 -0.05 0.00 -1.51 0.00 0.00 37.83 33.46 2k06 s LYS 6 CO 0.37 0.18 0.32 0.15 -0.36 0.00 0.00 175.35 176.01 2k06 s LYS 7 N 0.40 4.00 0.15 4.03 1.02 -1.26 -4.76 119.74 123.32 2k06 s LYS 7 Ca -0.13 0.19 0.10 0.00 0.02 0.00 0.00 55.97 56.15 2k06 s LYS 7 Cb -0.17 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.79 2k06 s LYS 7 CO 0.06 0.49 -0.22 1.03 -0.92 0.00 0.00 175.35 175.79 2k06 s ARG 8 N -0.32 1.34 -0.10 1.68 0.52 -1.20 -4.92 118.95 115.94 2k06 s ARG 8 Ca 0.19 -1.38 -0.14 0.00 -0.52 0.00 0.00 55.73 53.88 2k06 s ARG 8 Cb -0.14 -1.59 -0.05 0.00 0.52 0.00 0.00 34.95 33.69 2k06 s ARG 8 CO 0.08 0.35 0.34 -1.58 0.02 0.00 0.00 175.30 174.51 2k06 s TRP 9 N -1.58 3.56 0.11 -0.53 0.52 -1.26 -0.20 118.94 119.56 2k06 s TRP 9 Ca 0.15 0.75 0.09 0.00 0.02 0.00 0.00 56.10 57.11 2k06 s TRP 9 Cb -0.08 -2.32 -0.04 0.00 -1.15 0.00 0.00 33.47 29.88 2k06 s TRP 9 CO 0.07 0.39 -0.24 0.71 0.02 0.00 0.00 176.95 177.91 2k06 s TYR 10 N -0.10 2.03 -0.03 -1.98 2.02 0.90 -3.87 117.35 116.33 2k06 s TYR 10 Ca 0.20 -0.40 -0.08 0.00 -0.37 0.00 0.00 57.07 56.42 2k06 s TYR 10 Cb -0.14 -1.12 -0.05 0.00 -0.40 0.00 0.00 41.96 40.25 2k06 s TYR 10 CO 0.08 0.25 0.25 0.08 -1.57 0.00 0.00 175.55 174.64 2k06 s VAL 11 N -1.08 5.33 -0.10 0.71 1.01 -1.26 -0.78 120.40 124.23 2k06 s VAL 11 Ca 0.10 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.38 2k06 s VAL 11 Cb -0.10 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 2k06 s VAL 11 CO 0.05 0.47 -0.22 -0.69 0.00 0.00 0.00 175.10 174.71 2k06 s VAL 12 N -1.19 2.27 -0.19 2.92 1.01 0.14 -3.13 120.40 122.23 2k06 s VAL 12 Ca 0.23 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 61.13 2k06 s VAL 12 Cb -0.13 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 2k06 s VAL 12 CO 0.12 0.55 0.27 -1.58 0.00 0.00 0.00 175.10 174.47 2k06 s GLN 13 N 0.26 4.20 0.12 2.72 0.74 -0.51 -1.57 119.66 125.62 2k06 s GLN 13 Ca -0.15 0.01 -0.03 0.00 0.05 0.00 0.00 55.36 55.24 2k06 s GLN 13 Cb -0.17 -3.47 -0.03 0.00 1.10 0.00 0.00 33.01 30.44 2k06 s GLN 13 CO 0.08 0.15 0.10 0.00 -0.55 0.00 0.00 175.29 175.07 2k06 s ALA 14 N 0.75 0.56 0.44 1.58 0.00 -0.65 0.18 121.76 124.62 2k06 s ALA 14 Ca 0.14 -1.25 -0.24 0.00 0.00 0.00 0.00 51.96 50.61 2k06 s ALA 14 Cb -0.13 0.76 -0.08 0.00 0.00 0.00 0.00 23.12 23.67 2k06 s ALA 14 CO 0.04 -0.51 1.19 -0.06 0.00 0.00 0.00 175.76 176.42 2k06 s PHE 15 N -4.00 2.91 0.57 0.00 0.08 -1.25 -4.34 117.98 111.94 2k06 s PHE 15 Ca 0.19 1.52 -0.19 0.00 0.12 0.00 0.00 56.93 58.57 2k06 s PHE 15 Cb 0.06 -3.43 -0.04 0.00 -0.57 0.00 0.00 43.02 39.04 2k06 s PHE 15 CO -0.01 -1.56 1.20 -1.54 -0.10 0.00 0.00 175.22 173.21 2k06 s SER 16 N -1.22 5.38 0.00 1.36 1.04 -1.26 -2.51 113.70 116.49 2k06 s SER 16 Ca 0.61 2.37 0.00 0.00 0.48 0.00 0.00 55.95 59.41 2k06 s SER 16 Cb -0.31 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.22 2k06 s SER 16 CO 0.38 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.74 2k06 n GLY 17 N 0.45 2.56 0.54 7.32 0.00 -1.26 -4.64 105.19 110.16 2k06 n GLY 17 Ca 0.13 -0.14 0.06 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 0.08 -0.36 1.61 3.72 -1.09 -4.56 117.46 116.87 2k06 n PHE 18 Ca 0.00 -0.08 0.09 0.00 -0.05 0.00 0.00 57.45 57.41 2k06 n PHE 18 Cb 0.00 -0.00 0.27 0.00 -0.94 0.00 0.00 39.48 38.80 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 2.44 0.89 -0.15 -1.08 4.81 -1.75 0.36 114.58 120.10 2k06 h GLU 19 Ca 0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2k06 h GLU 19 Cb 0.56 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 2k06 h GLU 19 CO 0.00 0.59 0.02 0.78 -0.73 0.00 0.00 179.01 179.66 2k06 h GLY 20 N 0.92 0.27 1.12 1.92 0.00 -1.87 -2.85 103.07 102.58 2k06 h GLY 20 Ca 0.52 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.62 2k06 h GLY 20 CO -0.31 0.17 0.25 -0.09 0.00 0.00 0.00 176.54 176.56 2k06 h ARG 21 N 0.01 1.11 -0.72 4.80 2.43 -1.52 -2.60 114.38 117.90 2k06 h ARG 21 Ca 0.04 -0.22 0.13 0.00 -0.81 0.00 0.00 59.98 59.12 2k06 h ARG 21 Cb 0.33 -0.17 -0.09 0.00 -0.42 0.00 0.00 29.97 29.62 2k06 h ARG 21 CO 0.00 0.93 0.28 0.28 -1.51 0.00 0.00 179.97 179.96 2k06 h VAL 22 N 1.07 0.69 -0.69 0.20 2.07 -0.16 0.27 116.25 119.70 2k06 h VAL 22 Ca 0.24 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 2k06 h VAL 22 Cb 0.27 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 2k06 h VAL 22 CO -0.01 0.08 0.42 0.00 0.02 0.00 0.00 177.57 178.08 2k06 h ALA 23 N 1.51 0.88 -0.84 1.67 0.00 -1.24 -2.06 119.26 119.18 2k06 h ALA 23 Ca 0.38 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2k06 h ALA 23 Cb 0.55 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2k06 h ALA 23 CO -0.37 0.35 0.48 1.15 0.00 0.00 0.00 179.25 180.86 2k06 h THR 24 N 0.94 1.24 -0.94 0.00 2.02 -0.87 -1.98 112.91 113.33 2k06 h THR 24 Ca 0.25 -0.56 0.03 0.00 0.77 0.00 0.00 66.41 66.90 2k06 h THR 24 Cb -0.04 0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 66.40 2k06 h THR 24 CO -0.05 0.26 0.61 0.28 0.37 0.00 0.00 175.52 177.00 2k06 h SER 25 N 1.17 1.02 -0.47 4.18 0.02 -0.46 -2.05 113.55 116.96 2k06 h SER 25 Ca 0.30 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.29 2k06 h SER 25 Cb -0.01 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.24 2k06 h SER 25 CO -0.05 0.71 0.19 -0.07 -1.14 0.00 0.00 176.83 176.46 2k06 h LEU 26 N 1.19 0.22 -0.85 5.07 3.38 -1.02 0.20 115.31 123.50 2k06 h LEU 26 Ca 0.37 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.46 2k06 h LEU 26 Cb -0.01 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 2k06 h LEU 26 CO -0.11 0.16 0.51 -0.09 0.09 0.00 0.00 178.44 179.01 2k06 h ARG 27 N 0.37 0.87 0.59 1.13 2.43 -1.31 0.83 114.38 119.30 2k06 h ARG 27 Ca 0.22 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2k06 h ARG 27 Cb 0.20 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2k06 h ARG 27 CO -0.20 0.58 -0.28 0.93 -1.51 0.00 0.00 179.97 179.48 2k06 h GLU 28 N 0.90 -0.76 -0.26 0.20 5.08 -1.02 0.51 114.58 119.22 2k06 h GLU 28 Ca 0.39 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.84 2k06 h GLU 28 Cb 0.27 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2k06 h GLU 28 CO -0.21 -0.46 0.06 0.45 -1.00 0.00 0.00 179.01 177.84 2k06 h HIS 29 N -1.13 0.10 -0.04 4.33 3.86 -0.77 0.31 115.15 121.81 2k06 h HIS 29 Ca -0.08 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 2k06 h HIS 29 Cb 0.65 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.11 2k06 h HIS 29 CO 0.01 0.03 0.02 0.82 0.86 0.00 0.00 177.93 179.67 2k06 h ILE 30 N 0.16 1.08 -0.51 2.45 2.04 0.67 0.16 117.51 123.57 2k06 h ILE 30 Ca 0.12 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.77 2k06 h ILE 30 Cb 0.11 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 2k06 h ILE 30 CO -0.15 0.07 0.28 0.50 0.00 0.00 0.00 178.15 178.85 2k06 h LYS 31 N -0.03 0.53 -0.11 2.37 3.64 0.41 1.62 116.57 125.00 2k06 h LYS 31 Ca 0.01 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2k06 h LYS 31 Cb 0.09 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2k06 h LYS 31 CO -0.00 0.35 0.04 -0.07 -2.27 0.00 0.00 179.45 177.50 2k06 h LEU 32 N 0.54 0.15 -0.41 5.20 3.38 -0.13 -1.98 115.31 122.07 2k06 h LEU 32 Ca 0.22 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2k06 h LEU 32 Cb 0.09 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2k06 h LEU 32 CO -0.13 0.28 0.00 1.41 0.09 0.00 0.00 178.44 180.09 2k06 n HIS 33 N -4.91 0.09 -3.74 1.13 8.25 0.53 -4.89 115.22 111.69 2k06 n HIS 33 Ca -0.05 -0.05 -0.24 0.00 -0.26 0.00 0.00 57.72 57.12 2k06 n HIS 33 Cb 0.12 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.26 2k06 n HIS 33 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2k06 n ASN 34 N -0.34 -2.77 -0.93 0.41 5.15 0.49 -4.85 115.26 112.42 2k06 n ASN 34 Ca 0.12 -0.77 0.12 0.00 -0.60 0.00 0.00 54.58 53.45 2k06 n ASN 34 Cb 0.15 -4.17 0.26 0.00 -0.53 0.00 0.00 39.78 35.49 2k06 n ASN 34 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2k06 n MET 35 N -4.45 2.23 -0.23 1.20 2.81 0.25 -4.31 117.12 114.62 2k06 n MET 35 Ca -0.17 -1.84 0.15 0.00 -1.81 0.00 0.00 57.70 54.03 2k06 n MET 35 Cb 0.62 -1.47 0.46 0.00 -0.71 0.00 0.00 33.22 32.12 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 3.79 0.50 -0.97 0.03 5.08 -1.87 0.89 114.58 122.02 2k06 h GLU 36 Ca 0.00 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.45 2k06 h GLU 36 Cb 0.83 -0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.88 2k06 h GLU 36 CO 0.00 0.33 0.60 -0.44 -1.00 0.00 0.00 179.01 178.50 2k06 h ASP 37 N 0.51 0.87 -0.02 1.42 3.32 -1.95 -2.27 116.42 118.31 2k06 h ASP 37 Ca 0.43 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.51 2k06 h ASP 37 Cb 0.91 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.34 2k06 h ASP 37 CO -0.17 0.45 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.62 2k06 h LEU 38 N 0.93 0.12 -9.53 1.55 3.38 -1.16 -3.43 115.31 107.16 2k06 h LEU 38 Ca 0.49 -0.69 -0.53 0.00 0.09 0.00 0.00 57.88 57.24 2k06 h LEU 38 Cb 0.51 -0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.25 2k06 h LEU 38 CO -0.28 0.79 0.68 -0.36 0.09 0.00 0.00 178.44 179.36 2k06 s PHE 39 N -3.46 3.30 -0.05 1.13 0.40 -0.85 -3.48 117.98 114.96 2k06 s PHE 39 Ca -0.16 1.05 -0.08 0.00 -0.60 0.00 0.00 56.93 57.14 2k06 s PHE 39 Cb 0.01 -3.61 -0.03 0.00 0.51 0.00 0.00 43.02 39.90 2k06 s PHE 39 CO 0.71 -2.09 -0.15 0.41 0.70 0.00 0.00 175.22 174.80 2k06 n GLY 40 N 3.39 -0.33 2.70 4.36 0.00 0.56 -4.80 105.19 111.07 2k06 n GLY 40 Ca 0.11 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.08 0.03 0.20 1.61 2.56 -1.25 -4.99 118.70 114.77 2k06 s GLU 41 Ca -0.13 0.25 -0.13 0.00 0.00 0.00 0.00 54.97 54.96 2k06 s GLU 41 Cb 0.02 -0.98 -0.07 0.00 2.00 0.00 0.00 34.13 35.10 2k06 s GLU 41 CO 0.19 -0.48 0.59 0.54 -0.56 0.00 0.00 175.26 175.54 2k06 s VAL 42 N 2.21 4.83 0.09 3.70 0.11 -1.26 -2.05 120.40 128.03 2k06 s VAL 42 Ca 0.04 0.77 0.07 0.00 -2.93 0.00 0.00 61.98 59.93 2k06 s VAL 42 Cb -0.14 -3.69 -0.04 0.00 -1.53 0.00 0.00 36.38 30.98 2k06 s VAL 42 CO -0.07 0.09 -0.10 -0.04 -3.33 0.00 0.00 175.10 171.65 2k06 s MET 43 N -2.35 2.17 -0.34 1.54 -1.94 0.33 -4.97 119.30 113.75 2k06 s MET 43 Ca 0.43 -0.99 -0.01 0.00 -1.71 0.00 0.00 55.69 53.42 2k06 s MET 43 Cb -0.13 -2.32 0.12 0.00 2.01 0.00 0.00 34.83 34.50 2k06 s MET 43 CO 0.20 0.52 0.16 0.08 -0.01 0.00 0.00 175.02 175.97 2k06 s VAL 44 N -1.17 0.58 -1.67 -6.03 1.01 -1.26 -3.81 120.40 108.05 2k06 s VAL 44 Ca 0.20 -1.54 0.17 0.00 0.00 0.00 0.00 61.98 60.81 2k06 s VAL 44 Cb -0.11 -1.43 0.38 0.00 0.00 0.00 0.00 36.38 35.21 2k06 s VAL 44 CO 0.13 -0.81 1.47 -0.81 0.00 0.00 0.00 175.10 175.08 2k06 n PRO 45 N 4.50 0.37 -4.36 2.72 -0.04 -1.26 -4.73 135.00 132.20 2k06 n PRO 45 Ca 0.02 0.07 -0.24 0.00 -0.04 0.00 0.00 63.50 63.32 2k06 n PRO 45 Cb 0.39 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.24 2k06 n PRO 45 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2k06 s THR 46 N -2.33 2.02 0.06 0.52 -1.32 -1.26 -4.89 115.64 108.44 2k06 s THR 46 Ca 0.20 -1.91 0.02 0.00 -1.21 0.00 0.00 61.69 58.79 2k06 s THR 46 Cb 0.12 -1.92 -0.04 0.00 -1.51 0.00 0.00 72.50 69.15 2k06 s THR 46 CO 0.23 -0.20 0.11 -1.61 -2.21 0.00 0.00 174.62 170.95 2k06 s GLU 47 N -2.62 3.06 0.55 7.08 2.02 -1.26 -4.79 118.70 122.74 2k06 s GLU 47 Ca 0.16 -0.59 0.22 0.00 0.02 0.00 0.00 54.97 54.78 2k06 s GLU 47 Cb -0.07 -2.83 1.49 0.00 0.10 0.00 0.00 34.13 32.82 2k06 s GLU 47 CO 0.08 0.59 2.19 0.93 0.02 0.00 0.00 175.26 179.07 2k06 h GLU 48 N 3.39 0.00 -5.49 1.61 5.08 -1.97 -3.43 114.58 113.77 2k06 h GLU 48 Ca -0.47 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.24 2k06 h GLU 48 Cb 1.17 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.29 2k06 h GLU 48 CO 0.68 0.00 -0.57 0.14 -1.00 0.00 0.00 179.01 178.26 2k06 s VAL 49 N -4.88 1.69 0.20 3.13 -7.23 -1.26 -5.07 120.40 106.98 2k06 s VAL 49 Ca -0.05 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.22 2k06 s VAL 49 Cb 0.16 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 2k06 s VAL 49 CO 0.62 0.00 -0.15 0.68 -0.31 0.00 0.00 175.10 175.94 2k06 s VAL 50 N -2.77 2.86 0.09 1.32 -7.23 -1.26 -5.12 120.40 108.28 2k06 s VAL 50 Ca 0.24 -1.88 -0.12 0.00 -1.81 0.00 0.00 61.98 58.40 2k06 s VAL 50 Cb 0.07 -2.42 -0.06 0.00 0.56 0.00 0.00 36.38 34.52 2k06 s VAL 50 CO 0.12 -0.17 0.45 -0.70 -0.31 0.00 0.00 175.10 174.50 2k06 s GLU 51 N -2.92 3.86 0.28 4.82 2.12 -1.26 -4.97 118.70 120.62 2k06 s GLU 51 Ca 0.25 0.32 -0.02 0.00 0.36 0.00 0.00 54.97 55.87 2k06 s GLU 51 Cb -0.08 -3.02 0.41 0.00 0.26 0.00 0.00 34.13 31.71 2k06 s GLU 51 CO 0.14 0.56 1.92 0.82 -0.54 0.00 0.00 175.26 178.15 2k06 h ILE 52 N 2.99 1.14 -3.79 -3.70 2.04 -2.08 -3.42 117.51 110.69 2k06 h ILE 52 Ca -0.49 -0.40 -0.56 0.00 1.00 0.00 0.00 64.86 64.40 2k06 h ILE 52 Cb 1.20 -0.13 0.14 0.00 -0.74 0.00 0.00 36.82 37.29 2k06 h ILE 52 CO 0.65 0.21 0.44 -1.14 0.00 0.00 0.00 178.15 178.32 2k06 n ARG 53 N -4.45 1.48 -3.21 2.37 0.63 -1.26 -5.00 116.66 107.21 2k06 n ARG 53 Ca 0.13 0.55 -0.10 0.00 -0.92 0.00 0.00 57.85 57.50 2k06 n ARG 53 Cb 0.12 -2.41 -0.03 0.00 0.45 0.00 0.00 32.46 30.59 2k06 n ARG 53 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k06 n GLY 54 N 0.93 2.70 3.66 5.14 0.00 -1.26 -5.12 105.19 111.24 2k06 n GLY 54 Ca 0.11 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.38 0.26 0.32 -0.02 0.00 -1.26 -4.85 105.19 99.26 2k06 n GLY 55 Ca 0.02 0.24 -0.00 0.00 0.00 0.00 0.00 46.02 46.27 2k06 n GLY 55 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2k06 h GLN 56 N 2.10 0.86 -5.66 1.61 1.08 -1.98 -3.42 115.11 109.69 2k06 h GLN 56 Ca -0.45 -0.10 -0.51 0.00 -1.45 0.00 0.00 58.65 56.14 2k06 h GLN 56 Cb 1.31 -0.17 -0.25 0.00 -0.05 0.00 0.00 27.48 28.32 2k06 h GLN 56 CO 0.60 0.65 -0.81 1.03 -0.95 0.00 0.00 178.83 179.35 2k06 s ARG 57 N -5.52 1.14 0.35 1.46 0.52 -1.26 -5.02 118.95 110.61 2k06 s ARG 57 Ca -0.10 -0.84 0.03 0.00 -0.52 0.00 0.00 55.73 54.31 2k06 s ARG 57 Cb 0.17 -1.19 0.65 0.00 0.52 0.00 0.00 34.95 35.09 2k06 s ARG 57 CO 0.78 0.30 1.97 0.00 0.02 0.00 0.00 175.30 178.37 2k06 h ARG 58 N 4.91 0.70 -0.22 3.54 3.08 -2.01 -1.36 114.38 123.01 2k06 h ARG 58 Ca -0.40 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.56 2k06 h ARG 58 Cb 1.17 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 2k06 h ARG 58 CO 0.44 0.53 0.09 -0.22 -1.07 0.00 0.00 179.97 179.74 2k06 h LYS 59 N 0.70 0.31 -6.97 0.04 3.64 -1.97 -3.43 116.57 108.89 2k06 h LYS 59 Ca 0.18 -0.03 -0.54 0.00 -1.27 0.00 0.00 60.65 58.99 2k06 h LYS 59 Cb 0.05 -0.06 0.19 0.00 -0.41 0.00 0.00 32.23 32.00 2k06 h LYS 59 CO -0.03 0.26 -0.06 -1.13 -2.27 0.00 0.00 179.45 176.23 2k06 n SER 60 N -4.44 -0.25 -4.70 4.20 3.41 -0.52 -5.02 113.62 106.31 2k06 n SER 60 Ca 0.00 0.53 -0.28 0.00 -0.26 0.00 0.00 58.87 58.86 2k06 n SER 60 Cb 0.12 -1.37 -0.09 0.00 -0.26 0.00 0.00 64.21 62.62 2k06 n SER 60 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2k06 s GLU 61 N -3.68 2.10 -0.10 4.33 0.41 -1.26 -4.97 118.70 115.54 2k06 s GLU 61 Ca 0.68 -2.11 0.00 0.00 -0.41 0.00 0.00 54.97 53.13 2k06 s GLU 61 Cb -0.29 -1.73 -0.03 0.00 -1.78 0.00 0.00 34.13 30.31 2k06 s GLU 61 CO 0.57 -0.18 -0.08 1.03 -0.49 0.00 0.00 175.26 176.10 2k06 s ARG 62 N -3.84 3.04 0.00 1.61 0.52 -1.26 -4.98 118.95 114.04 2k06 s ARG 62 Ca 0.29 -0.59 0.19 0.00 -0.52 0.00 0.00 55.73 55.11 2k06 s ARG 62 Cb 0.06 -2.64 0.74 0.00 0.52 0.00 0.00 34.95 33.62 2k06 s ARG 62 CO 0.16 0.48 1.53 1.63 0.02 0.00 0.00 175.30 179.12 2k06 n LYS 63 N 2.76 1.63 -2.38 3.54 5.02 -1.26 -4.89 118.16 122.58 2k06 n LYS 63 Ca -0.18 -0.95 -0.37 0.00 -2.02 0.00 0.00 58.31 54.79 2k06 n LYS 63 Cb 0.53 -1.36 -0.02 0.00 -0.02 0.00 0.00 35.03 34.15 2k06 n LYS 63 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2k06 s PHE 64 N -1.79 3.08 -0.70 2.13 0.08 -1.26 -4.75 117.98 114.77 2k06 s PHE 64 Ca 0.30 1.58 0.05 0.00 0.12 0.00 0.00 56.93 58.99 2k06 s PHE 64 Cb 0.16 -3.28 0.17 0.00 -0.57 0.00 0.00 43.02 39.50 2k06 s PHE 64 CO 0.24 -1.11 0.49 -0.59 -0.10 0.00 0.00 175.22 174.15 2k06 s PHE 65 N -1.56 3.53 0.57 0.36 -0.12 -1.26 -5.09 117.98 114.41 2k06 s PHE 65 Ca 0.60 -3.32 -0.18 0.00 -0.05 0.00 0.00 56.93 53.97 2k06 s PHE 65 Cb -0.26 -2.68 -0.04 0.00 -0.63 0.00 0.00 43.02 39.40 2k06 s PHE 65 CO 0.33 -0.55 1.11 -1.25 -0.05 0.00 0.00 175.22 174.80 2k06 s PRO 66 N -1.41 3.26 0.00 1.99 0.04 -1.26 -3.48 135.00 134.14 2k06 s PRO 66 Ca 0.25 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.79 2k06 s PRO 66 Cb -0.05 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2k06 s PRO 66 CO -0.16 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 176.38 2k06 n GLY 67 N -0.14 0.85 3.27 0.56 0.00 -1.26 -4.87 105.19 103.59 2k06 n GLY 67 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.34 2.69 0.02 1.61 1.51 -1.23 -1.63 117.35 117.97 2k06 s TYR 68 Ca 0.00 -0.97 0.04 0.00 -1.01 0.00 0.00 57.07 55.14 2k06 s TYR 68 Cb 0.00 -1.80 -0.02 0.00 -0.11 0.00 0.00 41.96 40.04 2k06 s TYR 68 CO 0.00 -0.39 -0.13 0.08 -1.11 0.00 0.00 175.55 174.00 2k06 s VAL 69 N 0.49 1.00 -0.14 0.71 1.01 -0.61 -4.61 120.40 118.26 2k06 s VAL 69 Ca -0.13 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 2k06 s VAL 69 Cb -0.17 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.30 2k06 s VAL 69 CO 0.05 0.10 -0.01 -0.76 0.00 0.00 0.00 175.10 174.48 2k06 s LEU 70 N -0.78 3.46 -0.02 3.92 1.02 -1.25 0.25 118.68 125.28 2k06 s LEU 70 Ca 0.02 -0.00 0.00 0.00 0.02 0.00 0.00 54.13 54.17 2k06 s LEU 70 Cb -0.06 -1.83 0.03 0.00 0.02 0.00 0.00 46.19 44.34 2k06 s LEU 70 CO 0.00 0.23 0.02 -0.69 0.02 0.00 0.00 176.35 175.94 2k06 s VAL 71 N -0.02 -0.00 -0.11 -1.59 1.01 0.04 0.12 120.40 119.86 2k06 s VAL 71 Ca 0.03 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 61.95 2k06 s VAL 71 Cb -0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 2k06 s VAL 71 CO 0.02 0.09 0.65 -1.58 0.00 0.00 0.00 175.10 174.28 2k06 s GLN 72 N 0.94 4.37 -0.09 2.72 0.74 -0.87 -0.07 119.66 127.40 2k06 s GLN 72 Ca -0.08 0.75 -0.32 0.00 0.05 0.00 0.00 55.36 55.75 2k06 s GLN 72 Cb -0.12 -3.47 0.12 0.00 1.10 0.00 0.00 33.01 30.64 2k06 s GLN 72 CO -0.02 0.01 1.19 1.41 -0.55 0.00 0.00 175.29 177.32 2k06 s MET 73 N 1.03 0.45 0.07 1.67 1.75 0.72 -0.32 119.30 124.67 2k06 s MET 73 Ca 0.34 -0.20 -0.22 0.00 -1.25 0.00 0.00 55.69 54.36 2k06 s MET 73 Cb -0.17 0.18 -0.07 0.00 2.84 0.00 0.00 34.83 37.62 2k06 s MET 73 CO 0.15 -0.20 0.65 0.14 -0.65 0.00 0.00 175.02 175.10 2k06 s VAL 74 N -2.55 4.69 -0.27 10.11 -7.23 -1.23 -3.25 120.40 120.68 2k06 s VAL 74 Ca 0.11 1.38 -0.29 0.00 -1.81 0.00 0.00 61.98 61.37 2k06 s VAL 74 Cb 0.01 -3.99 0.00 0.00 0.56 0.00 0.00 36.38 32.96 2k06 s VAL 74 CO -0.04 0.50 1.24 -0.32 -0.31 0.00 0.00 175.10 176.16 2k06 s MET 75 N -0.79 4.04 0.23 4.82 1.75 -1.26 -4.88 119.30 123.21 2k06 s MET 75 Ca 0.32 1.32 -0.05 0.00 -1.25 0.00 0.00 55.69 56.03 2k06 s MET 75 Cb -0.20 -3.81 -0.02 0.00 2.84 0.00 0.00 34.83 33.63 2k06 s MET 75 CO 0.21 -0.95 0.29 0.54 -0.65 0.00 0.00 175.02 174.45 2k06 s ASN 76 N 2.30 0.14 0.29 1.11 4.22 -1.26 -5.03 114.94 116.70 2k06 s ASN 76 Ca 0.53 -1.23 0.04 0.00 -2.14 0.00 0.00 52.86 50.07 2k06 s ASN 76 Cb -0.17 0.48 0.44 0.00 1.28 0.00 0.00 41.25 43.28 2k06 s ASN 76 CO 0.19 -0.99 1.72 0.44 -2.04 0.00 0.00 177.10 176.42 2k06 h ASP 77 N 2.44 0.38 0.06 3.54 3.32 -1.99 -2.23 116.42 121.94 2k06 h ASP 77 Ca -0.31 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 2k06 h ASP 77 Cb 1.25 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2k06 h ASP 77 CO 0.45 0.68 -0.03 0.00 -1.72 0.00 0.00 179.24 178.62 2k06 h ALA 78 N 1.34 -0.64 -0.35 3.45 0.00 -1.97 -2.08 119.26 119.01 2k06 h ALA 78 Ca 0.04 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.98 2k06 h ALA 78 Cb 0.72 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 2k06 h ALA 78 CO 0.06 -0.63 -0.54 0.66 0.00 0.00 0.00 179.25 178.80 2k06 h SER 79 N -0.11 -1.78 -0.74 0.00 4.64 -1.90 0.35 113.55 114.00 2k06 h SER 79 Ca -0.01 0.23 0.09 0.00 -0.47 0.00 0.00 61.79 61.63 2k06 h SER 79 Cb 0.06 0.73 -0.11 0.00 -0.31 0.00 0.00 62.40 62.76 2k06 h SER 79 CO 0.01 -0.42 -0.51 -0.25 -0.87 0.00 0.00 176.83 174.80 2k06 h TRP 80 N -0.43 -1.55 -0.81 4.77 7.01 -1.51 0.73 115.95 124.15 2k06 h TRP 80 Ca 0.07 0.10 0.05 0.00 2.11 0.00 0.00 58.89 61.22 2k06 h TRP 80 Cb 0.61 0.78 -0.05 0.00 -2.10 0.00 0.00 29.16 28.40 2k06 h TRP 80 CO -0.68 -0.42 0.53 1.25 -2.79 0.00 0.00 178.44 176.33 2k06 h HIS 81 N -0.16 0.95 -0.77 2.65 2.76 -0.52 -1.36 115.15 118.71 2k06 h HIS 81 Ca 0.17 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.32 2k06 h HIS 81 Cb 0.52 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 29.14 2k06 h HIS 81 CO -0.84 0.53 0.29 1.25 -1.30 0.00 0.00 177.93 177.86 2k06 h LEU 82 N 0.97 1.08 -0.28 0.26 5.85 0.42 -2.46 115.31 121.15 2k06 h LEU 82 Ca 0.33 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2k06 h LEU 82 Cb 0.10 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2k06 h LEU 82 CO -0.11 0.97 0.18 0.58 -0.34 0.00 0.00 178.44 179.72 2k06 h VAL 83 N 1.13 1.07 -0.81 1.05 2.07 0.83 -2.00 116.25 119.59 2k06 h VAL 83 Ca 0.25 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.69 2k06 h VAL 83 Cb 0.24 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 2k06 h VAL 83 CO -0.02 0.07 0.53 -0.09 0.02 0.00 0.00 177.57 178.08 2k06 h ARG 84 N 0.37 0.95 0.00 1.57 2.43 -1.20 0.25 114.38 118.75 2k06 h ARG 84 Ca 0.10 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2k06 h ARG 84 Cb -0.04 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.29 2k06 h ARG 84 CO -0.03 0.63 -0.15 0.66 -1.51 0.00 0.00 179.97 179.58 2k06 h SER 85 N 0.98 0.00 -2.52 -3.80 4.64 -0.91 -3.42 113.55 108.51 2k06 h SER 85 Ca 0.33 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.12 2k06 h SER 85 Cb 0.07 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.20 2k06 h SER 85 CO -0.10 0.15 1.12 -0.69 -0.87 0.00 0.00 176.83 176.44 2k06 s VAL 86 N -4.30 2.64 0.68 0.95 1.01 0.08 -4.95 120.40 116.50 2k06 s VAL 86 Ca -0.03 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 2k06 s VAL 86 Cb 0.14 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.48 2k06 s VAL 86 CO 0.62 -0.00 1.10 -2.16 0.00 0.00 0.00 175.10 174.66 2k06 s PRO 87 N 2.96 2.71 -1.18 2.72 0.04 -1.26 -3.83 135.00 137.17 2k06 s PRO 87 Ca 0.81 1.30 -0.03 0.00 0.04 0.00 0.00 61.00 63.12 2k06 s PRO 87 Cb -0.45 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.15 2k06 s PRO 87 CO 0.37 -1.30 1.01 0.54 0.04 0.00 0.00 177.00 177.65 2k06 n ARG 88 N -2.68 -6.71 -3.82 4.56 1.74 -1.26 -4.86 116.66 103.61 2k06 n ARG 88 Ca 0.10 0.79 -0.25 0.00 -0.77 0.00 0.00 57.85 57.71 2k06 n ARG 88 Cb 0.52 -5.66 -0.17 0.00 -1.02 0.00 0.00 32.46 26.13 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 -3.32 0.67 0.10 1.55 1.01 -1.25 -3.93 120.40 115.24 2k06 s VAL 89 Ca 0.22 -0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 2k06 s VAL 89 Cb -0.10 -0.82 -0.07 0.00 0.00 0.00 0.00 36.38 35.40 2k06 s VAL 89 CO 0.68 0.24 1.45 0.24 0.00 0.00 0.00 175.10 177.72 2k06 h MET 90 N 8.25 0.70 0.00 2.72 2.86 -0.59 -3.48 114.93 125.39 2k06 h MET 90 Ca -0.23 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.07 2k06 h MET 90 Cb 1.12 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 2k06 h MET 90 CO 0.33 0.94 0.00 0.41 1.06 0.00 0.00 176.91 179.65 2k06 n GLY 91 N 0.05 -0.30 3.74 8.32 0.00 -1.20 -5.00 105.19 110.81 2k06 n GLY 91 Ca -0.03 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 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 -3.72 2.83 -0.23 1.61 0.08 -1.26 -1.43 117.98 115.86 2k06 s PHE 92 Ca 0.00 -0.24 -0.01 0.00 0.12 0.00 0.00 56.93 56.80 2k06 s PHE 92 Cb 0.00 -1.43 0.02 0.00 -0.57 0.00 0.00 43.02 41.05 2k06 s PHE 92 CO 0.00 0.48 -0.09 0.42 -0.10 0.00 0.00 175.22 175.93 2k06 s ILE 93 N -2.30 2.75 0.00 0.64 -1.09 -1.18 -4.82 121.20 115.20 2k06 s ILE 93 Ca 0.34 -0.98 0.00 0.00 -2.23 0.00 0.00 60.65 57.79 2k06 s ILE 93 Cb -0.06 -2.35 0.00 0.00 -1.58 0.00 0.00 42.46 38.47 2k06 s ILE 93 CO 0.23 0.27 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 2k06 n GLY 94 N 4.66 1.84 0.21 6.18 0.00 -1.26 -4.42 105.19 112.40 2k06 n GLY 94 Ca -0.17 -0.26 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 2k06 n GLY 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k06 h GLY 95 N 0.00 0.50 -2.14 -0.02 0.00 -1.89 -3.45 103.07 96.07 2k06 h GLY 95 Ca 0.00 -0.55 -0.40 0.00 0.00 0.00 0.00 47.33 46.38 2k06 h GLY 95 CO 0.00 0.50 -0.54 -1.08 0.00 0.00 0.00 176.54 175.41 2k06 s THR 96 N -4.04 0.08 -0.57 4.70 -1.32 -1.25 -5.02 115.64 108.22 2k06 s THR 96 Ca -0.06 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 58.51 2k06 s THR 96 Cb 0.12 -2.50 0.56 0.00 -1.51 0.00 0.00 72.50 69.17 2k06 s THR 96 CO 0.82 0.00 1.36 -1.54 -2.21 0.00 0.00 174.62 173.04 2k06 n SER 97 N -1.05 4.16 0.00 8.08 3.41 -1.26 -3.74 113.62 123.22 2k06 n SER 97 Ca 0.04 -2.60 0.00 0.00 -0.26 0.00 0.00 58.87 56.05 2k06 n SER 97 Cb 0.64 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 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 0.46 0.40 -3.09 4.04 8.00 -1.26 -4.79 116.55 120.32 2k06 n ASP 98 Ca 0.19 -0.94 0.04 0.00 0.71 0.00 0.00 54.79 54.79 2k06 n ASP 98 Cb 0.87 0.04 -0.00 0.00 -0.02 0.00 0.00 41.12 42.01 2k06 n ASP 98 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2k06 s ARG 99 N -0.04 0.38 -0.14 -1.24 0.52 -1.25 -5.13 118.95 112.06 2k06 s ARG 99 Ca 0.00 0.15 -0.29 0.00 -0.52 0.00 0.00 55.73 55.07 2k06 s ARG 99 Cb 0.00 0.11 -0.04 0.00 0.52 0.00 0.00 34.95 35.54 2k06 s ARG 99 CO 0.00 -0.64 1.69 -1.25 0.02 0.00 0.00 175.30 175.11 2k06 s PRO 100 N 2.54 3.92 0.30 3.54 0.04 -1.26 -3.83 135.00 140.25 2k06 s PRO 100 Ca 0.18 1.94 -0.30 0.00 0.04 0.00 0.00 61.00 62.87 2k06 s PRO 100 Cb -0.04 -4.04 -0.11 0.00 0.04 0.00 0.00 34.50 30.35 2k06 s PRO 100 CO -0.20 -1.15 1.58 0.00 0.04 0.00 0.00 177.00 177.27 2k06 s ALA 101 N 4.91 3.73 0.62 8.56 0.00 -1.26 -4.88 121.76 133.44 2k06 s ALA 101 Ca 0.75 1.56 -0.17 0.00 0.00 0.00 0.00 51.96 54.11 2k06 s ALA 101 Cb -0.30 -3.64 -0.02 0.00 0.00 0.00 0.00 23.12 19.16 2k06 s ALA 101 CO 0.30 -0.98 1.11 -1.25 0.00 0.00 0.00 175.76 174.94 2k06 s PRO 102 N -0.62 3.01 0.18 0.00 0.04 -1.26 -4.85 135.00 131.49 2k06 s PRO 102 Ca 0.62 1.46 0.08 0.00 0.04 0.00 0.00 61.00 63.20 2k06 s PRO 102 Cb -0.47 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.05 2k06 s PRO 102 CO 0.49 -1.10 -0.16 0.96 0.04 0.00 0.00 177.00 177.23 2k06 s ILE 103 N -2.15 1.71 0.56 0.56 -4.36 -1.25 -5.04 121.20 111.23 2k06 s ILE 103 Ca 0.69 -2.04 -0.21 0.00 -0.26 0.00 0.00 60.65 58.83 2k06 s ILE 103 Cb -0.21 -1.90 -0.04 0.00 1.25 0.00 0.00 42.46 41.55 2k06 s ILE 103 CO 0.36 -0.47 1.28 -0.44 0.24 0.00 0.00 174.94 175.91 2k06 s SER 104 N -2.97 5.30 0.27 4.36 0.01 -1.26 -4.37 113.70 115.04 2k06 s SER 104 Ca 0.18 2.57 -0.04 0.00 1.31 0.00 0.00 55.95 59.98 2k06 s SER 104 Cb -0.03 -2.62 0.36 0.00 0.21 0.00 0.00 66.02 63.94 2k06 s SER 104 CO 0.06 -1.53 1.93 0.44 0.41 0.00 0.00 173.24 174.55 2k06 h ASP 105 N 1.28 1.06 -0.94 2.44 3.32 -1.99 -1.56 116.42 120.03 2k06 h ASP 105 Ca -0.51 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 56.54 2k06 h ASP 105 Cb 1.30 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.54 2k06 h ASP 105 CO 0.57 0.75 0.62 0.50 -1.72 0.00 0.00 179.24 179.95 2k06 h LYS 106 N 1.24 1.22 -0.87 3.56 3.64 -2.00 -1.81 116.57 121.54 2k06 h LYS 106 Ca 0.36 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.68 2k06 h LYS 106 Cb -0.07 -0.27 -0.04 0.00 -0.41 0.00 0.00 32.23 31.43 2k06 h LYS 106 CO -0.09 0.81 0.58 0.93 -2.27 0.00 0.00 179.45 179.40 2k06 h GLU 107 N 1.26 1.14 -0.53 1.90 4.39 -1.64 -1.51 114.58 119.58 2k06 h GLU 107 Ca 0.35 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.96 2k06 h GLU 107 Cb -0.12 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 28.25 2k06 h GLU 107 CO -0.08 0.75 0.24 0.28 -1.16 0.00 0.00 179.01 179.04 2k06 h VAL 108 N 1.17 1.18 -0.21 3.13 2.07 -1.11 -1.75 116.25 120.74 2k06 h VAL 108 Ca 0.32 -0.54 -0.09 0.00 0.82 0.00 0.00 66.70 67.21 2k06 h VAL 108 Cb -0.13 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 2k06 h VAL 108 CO -0.07 0.22 -0.27 0.44 0.02 0.00 0.00 177.57 177.90 2k06 h ASP 109 N 0.75 0.40 -0.53 0.57 3.32 -0.91 -2.84 116.42 117.17 2k06 h ASP 109 Ca 0.18 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 2k06 h ASP 109 Cb 0.10 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 2k06 h ASP 109 CO -0.02 0.67 0.14 0.00 -1.72 0.00 0.00 179.24 178.31 2k06 h ALA 110 N 1.36 0.70 0.01 3.45 0.00 -0.71 0.34 119.26 124.42 2k06 h ALA 110 Ca 0.05 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2k06 h ALA 110 Cb 0.67 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2k06 h ALA 110 CO 0.05 0.38 -0.13 0.82 0.00 0.00 0.00 179.25 180.37 2k06 h ILE 111 N 0.74 0.68 -0.28 0.00 2.04 -1.25 -1.64 117.51 117.81 2k06 h ILE 111 Ca 0.17 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.97 2k06 h ILE 111 Cb 0.31 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2k06 h ILE 111 CO -0.00 0.00 -0.09 0.24 0.00 0.00 0.00 178.15 178.29 2k06 h MET 112 N -0.22 0.45 -0.84 2.37 2.86 -1.38 -2.42 114.93 115.74 2k06 h MET 112 Ca 0.04 -0.12 0.05 0.00 -2.06 0.00 0.00 59.70 57.62 2k06 h MET 112 Cb 0.28 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.83 2k06 h MET 112 CO -0.12 0.55 0.55 -0.91 1.06 0.00 0.00 176.91 178.05 2k06 h ASN 113 N 0.42 0.85 -0.89 1.22 2.35 -0.03 -1.17 115.58 118.34 2k06 h ASN 113 Ca 0.08 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2k06 h ASN 113 Cb 0.43 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 2k06 h ASN 113 CO 0.02 0.56 0.48 0.03 -1.65 0.00 0.00 177.43 176.87 2k06 h ARG 114 N 0.98 1.25 -0.92 0.81 3.08 -0.84 -1.90 114.38 116.84 2k06 h ARG 114 Ca 0.35 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 2k06 h ARG 114 Cb 0.15 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 2k06 h ARG 114 CO -0.12 0.92 0.57 1.25 -1.07 0.00 0.00 179.97 181.52 2k06 h LEU 115 N 1.25 1.09 -1.04 3.04 5.85 -1.22 -1.64 115.31 122.64 2k06 h LEU 115 Ca 0.31 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.88 2k06 h LEU 115 Cb 0.05 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 2k06 h LEU 115 CO -0.05 0.82 -0.38 -0.61 -0.34 0.00 0.00 178.44 177.89 2k06 h GLN 116 N 1.26 0.19 -6.74 1.25 4.15 -1.07 -3.44 115.11 110.72 2k06 h GLN 116 Ca 0.33 -0.08 -0.57 0.00 0.77 0.00 0.00 58.65 59.10 2k06 h GLN 116 Cb -0.08 -0.01 0.10 0.00 0.21 0.00 0.00 27.48 27.71 2k06 h GLN 116 CO -0.06 0.55 0.59 0.94 -1.93 0.00 0.00 178.83 178.91 2k06 n GLN 117 N -4.06 2.21 -4.25 1.69 7.27 -0.62 -5.00 117.38 114.64 2k06 n GLN 117 Ca -0.01 0.78 -0.14 0.00 0.07 0.00 0.00 57.00 57.70 2k06 n GLN 117 Cb 0.45 -2.41 -0.10 0.00 2.41 0.00 0.00 30.24 30.59 2k06 n GLN 117 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 2k06 s VAL 118 N -0.80 1.07 -1.20 1.69 -7.23 -1.26 -4.97 120.40 107.69 2k06 s VAL 118 Ca 0.58 -2.04 -0.05 0.00 -1.81 0.00 0.00 61.98 58.66 2k06 s VAL 118 Cb -0.57 -1.89 0.11 0.00 0.56 0.00 0.00 36.38 34.59 2k06 s VAL 118 CO 0.59 -0.71 2.45 0.61 -0.31 0.00 0.00 175.10 177.72 2k06 n GLY 119 N -0.20 5.09 0.37 2.32 0.00 -1.26 -4.69 105.19 106.82 2k06 n GLY 119 Ca -0.10 -2.03 0.12 0.00 0.00 0.00 0.00 46.02 44.02 2k06 n GLY 119 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k06 h ASP 120 N 4.38 0.53 -3.28 1.61 3.58 -2.01 -3.20 116.42 118.03 2k06 h ASP 120 Ca 0.66 0.02 -0.62 0.00 0.42 0.00 0.00 57.03 57.51 2k06 h ASP 120 Cb 0.36 -0.08 -0.42 0.00 1.72 0.00 0.00 39.33 40.91 2k06 h ASP 120 CO 1.39 0.29 -0.60 -0.54 -2.88 0.00 0.00 179.24 176.90 2k06 s LYS 121 N -5.54 2.30 0.43 0.28 1.02 -1.26 -5.09 119.74 111.88 2k06 s LYS 121 Ca -0.09 -3.16 -0.24 0.00 0.02 0.00 0.00 55.97 52.50 2k06 s LYS 121 Cb 0.21 -3.30 -0.08 0.00 -0.52 0.00 0.00 37.83 34.14 2k06 s LYS 121 CO 0.77 -1.26 1.17 -1.25 -0.92 0.00 0.00 175.35 173.86 2k06 s PRO 122 N -1.18 3.90 0.00 -1.68 0.04 -1.21 -5.23 135.00 129.63 2k06 s PRO 122 Ca 0.24 1.82 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2k06 s PRO 122 Cb -0.08 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.92 2k06 s PRO 122 CO -0.14 -0.44 0.16 0.54 0.04 0.00 0.00 177.00 177.16