#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k06 s SER 2 N 0.00 2.91 0.39 7.83 0.01 -1.26 -5.01 113.70 118.57 2k06 s SER 2 Ca 0.00 -0.62 0.14 0.00 1.31 0.00 0.00 55.95 56.78 2k06 s SER 2 Cb 0.00 -0.23 0.98 0.00 0.21 0.00 0.00 66.02 66.98 2k06 s SER 2 CO 0.00 0.19 1.85 -0.08 0.41 0.00 0.00 173.24 175.61 2k06 h GLU 3 N 4.52 0.50 -5.08 12.44 4.81 -2.11 -3.47 114.58 126.19 2k06 h GLU 3 Ca -0.46 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.75 2k06 h GLU 3 Cb 1.16 -0.11 -0.13 0.00 0.63 0.00 0.00 28.75 30.30 2k06 h GLU 3 CO 0.42 0.33 -1.52 0.00 -0.73 0.00 0.00 179.01 177.51 2k06 n ALA 4 N -2.48 -3.57 0.94 2.92 0.00 -1.26 -4.78 120.51 112.28 2k06 n ALA 4 Ca 0.19 2.32 0.08 0.00 0.00 0.00 0.00 53.44 56.03 2k06 n ALA 4 Cb 0.63 -4.55 0.46 0.00 0.00 0.00 0.00 19.45 15.99 2k06 n ALA 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2k06 n PRO 5 N 1.76 0.40 -3.46 0.00 -0.04 -1.26 -4.86 135.00 127.55 2k06 n PRO 5 Ca -0.40 0.06 -0.20 0.00 -0.04 0.00 0.00 63.50 62.91 2k06 n PRO 5 Cb 0.62 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.66 2k06 n PRO 5 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k06 n LYS 6 N -1.12 -7.01 -3.14 0.54 5.02 -1.26 -4.96 118.16 106.23 2k06 n LYS 6 Ca 0.11 0.76 -0.39 0.00 -2.02 0.00 0.00 58.31 56.77 2k06 n LYS 6 Cb 0.09 -5.59 -0.06 0.00 -0.02 0.00 0.00 35.03 29.45 2k06 n LYS 6 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k06 s LYS 7 N -5.97 4.36 0.11 1.97 1.02 -1.26 -4.74 119.74 115.23 2k06 s LYS 7 Ca 0.40 0.88 0.07 0.00 0.02 0.00 0.00 55.97 57.34 2k06 s LYS 7 Cb -0.18 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.80 2k06 s LYS 7 CO 0.67 0.48 -0.16 1.03 -0.92 0.00 0.00 175.35 176.45 2k06 s ARG 8 N -0.66 1.02 -0.06 1.68 0.52 -1.25 -4.94 118.95 115.26 2k06 s ARG 8 Ca 0.33 -1.16 -0.25 0.00 -0.52 0.00 0.00 55.73 54.13 2k06 s ARG 8 Cb -0.20 -1.05 -0.03 0.00 0.52 0.00 0.00 34.95 34.18 2k06 s ARG 8 CO 0.21 0.22 0.75 -1.58 0.02 0.00 0.00 175.30 174.92 2k06 s TRP 9 N -1.64 3.59 0.19 -0.53 0.52 -1.26 -1.72 118.94 118.09 2k06 s TRP 9 Ca 0.06 1.33 0.10 0.00 0.02 0.00 0.00 56.10 57.61 2k06 s TRP 9 Cb -0.08 -2.86 -0.04 0.00 -1.15 0.00 0.00 33.47 29.33 2k06 s TRP 9 CO 0.04 0.06 -0.20 0.71 0.02 0.00 0.00 176.95 177.58 2k06 s TYR 10 N 0.87 2.03 0.22 -1.98 2.02 -1.10 -3.37 117.35 116.04 2k06 s TYR 10 Ca 0.40 -0.42 -0.08 0.00 -0.37 0.00 0.00 57.07 56.60 2k06 s TYR 10 Cb -0.18 -0.99 -0.07 0.00 -0.40 0.00 0.00 41.96 40.32 2k06 s TYR 10 CO 0.20 0.44 0.51 0.08 -1.57 0.00 0.00 175.55 175.21 2k06 s VAL 11 N -2.04 4.99 -0.07 0.71 1.01 -1.26 -2.75 120.40 121.00 2k06 s VAL 11 Ca 0.20 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2k06 s VAL 11 Cb -0.06 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.71 2k06 s VAL 11 CO 0.09 -0.09 -0.05 -0.69 0.00 0.00 0.00 175.10 174.36 2k06 s VAL 12 N -1.83 0.72 0.28 2.92 1.01 -0.84 -3.38 120.40 119.28 2k06 s VAL 12 Ca 0.46 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.10 2k06 s VAL 12 Cb -0.11 -0.76 -0.09 0.00 0.00 0.00 0.00 36.38 35.42 2k06 s VAL 12 CO 0.23 0.29 0.75 -1.10 0.00 0.00 0.00 175.10 175.28 2k06 s GLN 13 N 1.39 4.16 0.05 2.72 -0.21 -0.26 -3.04 119.66 124.47 2k06 s GLN 13 Ca -0.03 0.81 -0.19 0.00 0.02 0.00 0.00 55.36 55.98 2k06 s GLN 13 Cb -0.13 -2.64 0.04 0.00 1.00 0.00 0.00 33.01 31.28 2k06 s GLN 13 CO -0.03 0.26 0.44 0.00 -2.12 0.00 0.00 175.29 173.84 2k06 s ALA 14 N -1.77 -1.10 0.45 6.09 0.00 -1.13 -2.69 121.76 121.63 2k06 s ALA 14 Ca 0.49 0.36 -0.22 0.00 0.00 0.00 0.00 51.96 52.59 2k06 s ALA 14 Cb -0.13 0.39 -0.08 0.00 0.00 0.00 0.00 23.12 23.30 2k06 s ALA 14 CO 0.19 -0.49 1.11 -0.06 0.00 0.00 0.00 175.76 176.51 2k06 s PHE 15 N -2.60 2.99 0.45 0.00 0.40 -1.10 -4.52 117.98 113.60 2k06 s PHE 15 Ca -0.04 1.58 -0.24 0.00 -0.60 0.00 0.00 56.93 57.62 2k06 s PHE 15 Cb -0.01 -3.25 -0.09 0.00 0.51 0.00 0.00 43.02 40.19 2k06 s PHE 15 CO -0.03 -1.15 1.16 0.43 0.70 0.00 0.00 175.22 176.33 2k06 n SER 16 N -0.53 1.95 0.00 1.36 7.64 -1.26 -1.44 113.62 121.34 2k06 n SER 16 Ca 0.07 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.99 2k06 n SER 16 Cb 0.49 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 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 0.98 2.49 1.14 0.23 0.00 -1.26 -4.68 105.19 104.09 2k06 n GLY 17 Ca 0.09 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 1.08 -0.34 1.61 3.72 -0.52 -4.57 117.46 118.43 2k06 n PHE 18 Ca 0.00 -0.67 0.12 0.00 -0.05 0.00 0.00 57.45 56.85 2k06 n PHE 18 Cb 0.00 -0.22 0.32 0.00 -0.94 0.00 0.00 39.48 38.64 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 2.84 0.77 0.07 -1.08 4.81 -1.80 -1.27 114.58 118.91 2k06 h GLU 19 Ca 0.00 -0.05 -0.34 0.00 -0.13 0.00 0.00 59.36 58.85 2k06 h GLU 19 Cb 1.29 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 2k06 h GLU 19 CO 0.18 0.51 -1.91 0.41 -0.73 0.00 0.00 179.01 177.47 2k06 n GLY 20 N -1.36 -0.74 0.26 1.92 0.00 -1.26 -4.24 105.19 99.76 2k06 n GLY 20 Ca 0.21 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 2k06 n GLY 20 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2k06 h ARG 21 N 0.04 -0.20 -1.09 1.61 2.43 -1.63 0.13 114.38 115.66 2k06 h ARG 21 Ca -0.38 0.01 0.33 0.00 -0.81 0.00 0.00 59.98 59.13 2k06 h ARG 21 Cb 2.03 0.05 -0.13 0.00 -0.42 0.00 0.00 29.97 31.50 2k06 h ARG 21 CO 0.08 -0.14 0.67 0.28 -1.51 0.00 0.00 179.97 179.35 2k06 h VAL 22 N -0.21 0.34 -0.49 0.20 2.07 -1.44 0.73 116.25 117.45 2k06 h VAL 22 Ca 0.14 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.50 2k06 h VAL 22 Cb 0.43 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2k06 h VAL 22 CO -0.38 0.06 0.10 0.00 0.02 0.00 0.00 177.57 177.37 2k06 h ALA 23 N 1.72 0.65 -0.17 1.67 0.00 -0.93 0.17 119.26 122.36 2k06 h ALA 23 Ca 0.71 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 2k06 h ALA 23 Cb 1.80 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 2k06 h ALA 23 CO -0.46 0.35 -0.03 1.15 0.00 0.00 0.00 179.25 180.26 2k06 h THR 24 N 0.68 1.28 -0.85 0.00 2.02 0.74 -2.65 112.91 114.13 2k06 h THR 24 Ca 0.15 -0.95 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 2k06 h THR 24 Cb 0.36 1.57 -0.04 0.00 -1.74 0.00 0.00 68.15 68.30 2k06 h THR 24 CO 0.00 0.28 0.45 0.28 0.37 0.00 0.00 175.52 176.91 2k06 h SER 25 N 0.03 1.07 -0.93 4.18 0.02 -0.72 -2.22 113.55 114.98 2k06 h SER 25 Ca 0.04 -0.11 0.08 0.00 -0.84 0.00 0.00 61.79 60.97 2k06 h SER 25 Cb 0.44 -0.27 -0.07 0.00 0.14 0.00 0.00 62.40 62.64 2k06 h SER 25 CO 0.01 0.87 0.58 0.25 -1.14 0.00 0.00 176.83 177.40 2k06 h LEU 26 N 1.18 0.88 -0.73 5.07 5.85 -0.52 -1.17 115.31 125.88 2k06 h LEU 26 Ca 0.30 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.16 2k06 h LEU 26 Cb 0.05 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 40.84 2k06 h LEU 26 CO -0.05 0.53 0.33 -0.09 -0.34 0.00 0.00 178.44 178.82 2k06 h ARG 27 N 1.00 0.52 -0.21 1.25 2.43 -1.04 0.33 114.38 118.66 2k06 h ARG 27 Ca 0.43 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.57 2k06 h ARG 27 Cb 0.29 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2k06 h ARG 27 CO -0.21 0.34 0.13 0.93 -1.51 0.00 0.00 179.97 179.65 2k06 h GLU 28 N 0.53 0.28 -0.51 0.20 5.08 -1.20 0.80 114.58 119.76 2k06 h GLU 28 Ca 0.38 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.68 2k06 h GLU 28 Cb 0.48 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2k06 h GLU 28 CO -0.32 0.22 0.19 0.45 -1.00 0.00 0.00 179.01 178.55 2k06 h HIS 29 N 0.26 0.80 0.05 4.33 3.86 -0.94 0.26 115.15 123.76 2k06 h HIS 29 Ca 0.08 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2k06 h HIS 29 Cb 0.01 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.24 2k06 h HIS 29 CO -0.05 0.67 -0.02 0.82 0.86 0.00 0.00 177.93 180.20 2k06 h ILE 30 N 0.69 1.21 -1.01 2.45 2.04 -0.05 -1.03 117.51 121.81 2k06 h ILE 30 Ca 0.17 -0.88 0.02 0.00 1.00 0.00 0.00 64.86 65.17 2k06 h ILE 30 Cb 0.22 1.79 -0.05 0.00 -0.74 0.00 0.00 36.82 38.04 2k06 h ILE 30 CO -0.01 0.22 0.67 0.50 0.00 0.00 0.00 178.15 179.53 2k06 h LYS 31 N -0.45 1.30 0.34 2.37 3.64 0.70 2.17 116.57 126.63 2k06 h LYS 31 Ca -0.01 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 2k06 h LYS 31 Cb 0.41 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2k06 h LYS 31 CO 0.01 0.86 -0.16 -0.07 -2.27 0.00 0.00 179.45 177.82 2k06 h LEU 32 N 1.34 -0.39 -0.27 5.20 3.38 -0.40 -2.56 115.31 121.62 2k06 h LEU 32 Ca 0.38 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2k06 h LEU 32 Cb -0.11 0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2k06 h LEU 32 CO -0.09 -0.15 -0.01 1.41 0.09 0.00 0.00 178.44 179.69 2k06 n HIS 33 N -5.22 0.00 -3.31 1.13 8.25 -0.40 -4.90 115.22 110.77 2k06 n HIS 33 Ca -0.10 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.19 2k06 n HIS 33 Cb 0.24 -0.03 0.08 0.00 1.12 0.00 0.00 29.99 31.40 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 -0.70 -3.14 -0.51 0.41 3.02 0.67 -4.89 115.26 110.13 2k06 n ASN 34 Ca 0.22 -0.52 0.13 0.00 -0.03 0.00 0.00 54.58 54.38 2k06 n ASN 34 Cb 0.19 -4.51 0.49 0.00 -0.61 0.00 0.00 39.78 35.34 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 -3.94 1.70 -0.34 3.52 2.81 0.22 -4.18 117.12 116.92 2k06 n MET 35 Ca -0.18 -1.02 0.30 0.00 -1.81 0.00 0.00 57.70 54.99 2k06 n MET 35 Cb 0.62 -1.47 0.64 0.00 -0.71 0.00 0.00 33.22 32.30 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 2.43 0.18 -0.76 0.03 5.08 -1.86 0.50 114.58 120.17 2k06 h GLU 36 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2k06 h GLU 36 Cb 0.52 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2k06 h GLU 36 CO 0.00 0.12 0.48 -0.44 -1.00 0.00 0.00 179.01 178.17 2k06 h ASP 37 N 0.18 0.89 -0.02 1.42 3.32 -1.95 -2.93 116.42 117.32 2k06 h ASP 37 Ca 0.61 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.60 2k06 h ASP 37 Cb 1.98 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 41.31 2k06 h ASP 37 CO -0.17 0.66 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.91 2k06 h LEU 38 N 1.03 0.06 -9.82 1.55 3.38 -0.34 -3.43 115.31 107.73 2k06 h LEU 38 Ca 0.27 -0.52 -0.50 0.00 0.09 0.00 0.00 57.88 57.22 2k06 h LEU 38 Cb -0.08 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 40.67 2k06 h LEU 38 CO -0.06 0.57 0.46 -0.36 0.09 0.00 0.00 178.44 179.14 2k06 s PHE 39 N -4.13 3.56 -0.02 1.13 0.40 -0.76 -2.15 117.98 116.01 2k06 s PHE 39 Ca -0.16 1.71 -0.05 0.00 -0.60 0.00 0.00 56.93 57.83 2k06 s PHE 39 Cb 0.02 -3.25 -0.02 0.00 0.51 0.00 0.00 43.02 40.28 2k06 s PHE 39 CO 0.69 -0.50 -0.09 0.41 0.70 0.00 0.00 175.22 176.43 2k06 n GLY 40 N 1.11 -0.24 3.07 4.36 0.00 0.57 -4.77 105.19 109.29 2k06 n GLY 40 Ca -0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 2k06 n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k06 s GLU 41 N -1.77 0.55 0.09 1.61 2.02 -1.25 -4.99 118.70 114.96 2k06 s GLU 41 Ca -0.08 -1.04 0.10 0.00 0.02 0.00 0.00 54.97 53.97 2k06 s GLU 41 Cb 0.01 0.19 -0.03 0.00 0.10 0.00 0.00 34.13 34.40 2k06 s GLU 41 CO 0.11 -0.11 -0.27 0.08 0.02 0.00 0.00 175.26 175.10 2k06 s VAL 42 N -3.29 2.19 0.01 2.63 1.01 -1.26 -0.79 120.40 120.90 2k06 s VAL 42 Ca 0.01 -1.58 0.04 0.00 0.00 0.00 0.00 61.98 60.44 2k06 s VAL 42 Cb 0.03 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 2k06 s VAL 42 CO -0.08 0.21 -0.12 -0.04 0.00 0.00 0.00 175.10 175.08 2k06 s MET 43 N -1.68 0.88 -0.28 2.72 -1.94 0.13 -4.99 119.30 114.14 2k06 s MET 43 Ca 0.13 -0.50 0.02 0.00 -1.71 0.00 0.00 55.69 53.63 2k06 s MET 43 Cb -0.10 -0.85 0.08 0.00 2.01 0.00 0.00 34.83 35.97 2k06 s MET 43 CO 0.04 0.22 0.00 0.08 -0.01 0.00 0.00 175.02 175.36 2k06 s VAL 44 N -0.46 1.67 -0.88 -6.03 1.01 -1.26 -2.52 120.40 111.94 2k06 s VAL 44 Ca 0.03 -1.63 -0.07 0.00 0.00 0.00 0.00 61.98 60.31 2k06 s VAL 44 Cb -0.05 -2.08 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 2k06 s VAL 44 CO 0.00 -0.36 2.06 -0.81 0.00 0.00 0.00 175.10 175.99 2k06 n PRO 45 N 4.56 1.97 -4.05 2.72 -0.04 -1.26 -4.82 135.00 134.09 2k06 n PRO 45 Ca -0.05 -1.45 -0.12 0.00 -0.04 0.00 0.00 63.50 61.83 2k06 n PRO 45 Cb 0.43 -2.47 -0.12 0.00 -0.04 0.00 0.00 33.50 31.30 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 3.58 0.38 0.33 0.52 -4.23 -1.26 -4.97 115.64 110.00 2k06 s THR 46 Ca 0.39 -0.82 0.04 0.00 -1.18 0.00 0.00 61.69 60.12 2k06 s THR 46 Cb 0.10 -0.44 0.17 0.00 1.34 0.00 0.00 72.50 73.66 2k06 s THR 46 CO -0.02 -0.30 1.88 -0.33 -0.54 0.00 0.00 174.62 175.31 2k06 h GLU 47 N 4.90 0.57 -5.10 3.99 4.39 -1.98 -3.43 114.58 117.94 2k06 h GLU 47 Ca -0.33 -0.11 -0.40 0.00 0.34 0.00 0.00 59.36 58.86 2k06 h GLU 47 Cb 1.20 -0.09 -0.24 0.00 -0.10 0.00 0.00 28.75 29.52 2k06 h GLU 47 CO 0.43 0.57 -0.78 -2.00 -1.16 0.00 0.00 179.01 176.07 2k06 s GLU 48 N -5.04 0.81 0.42 2.33 2.56 -1.26 -5.02 118.70 113.50 2k06 s GLU 48 Ca -0.08 -0.70 0.12 0.00 0.00 0.00 0.00 54.97 54.31 2k06 s GLU 48 Cb 0.16 -0.78 0.92 0.00 2.00 0.00 0.00 34.13 36.42 2k06 s GLU 48 CO 0.77 0.19 1.97 -0.39 -0.56 0.00 0.00 175.26 177.24 2k06 h VAL 49 N 4.55 1.14 -3.62 3.70 -1.51 -1.96 -3.41 116.25 115.14 2k06 h VAL 49 Ca -0.37 -0.63 -0.68 0.00 -1.23 0.00 0.00 66.70 63.79 2k06 h VAL 49 Cb 1.18 1.23 -0.19 0.00 -2.13 0.00 0.00 31.29 31.38 2k06 h VAL 49 CO 0.44 0.19 -0.69 -0.69 -1.23 0.00 0.00 177.57 175.59 2k06 s VAL 50 N -4.74 3.77 -0.14 7.19 1.01 -1.26 -4.72 120.40 121.51 2k06 s VAL 50 Ca -0.05 -0.45 -0.24 0.00 0.00 0.00 0.00 61.98 61.24 2k06 s VAL 50 Cb 0.16 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 2k06 s VAL 50 CO 0.71 0.60 0.78 -0.70 0.00 0.00 0.00 175.10 176.49 2k06 s GLU 51 N -0.77 4.33 0.00 2.72 2.12 -1.26 -4.91 118.70 120.93 2k06 s GLU 51 Ca 0.12 0.95 0.19 0.00 0.36 0.00 0.00 54.97 56.59 2k06 s GLU 51 Cb -0.11 -3.54 -0.12 0.00 0.26 0.00 0.00 34.13 30.62 2k06 s GLU 51 CO 0.02 -0.20 0.87 0.44 -0.54 0.00 0.00 175.26 175.84 2k06 n ILE 52 N 4.44 0.00 -4.20 -3.70 -5.35 -1.26 -4.95 119.36 104.34 2k06 n ILE 52 Ca 0.02 -0.15 -0.27 0.00 -0.27 0.00 0.00 62.75 62.08 2k06 n ILE 52 Cb 0.50 1.09 -0.08 0.00 -1.74 0.00 0.00 39.64 39.41 2k06 n ILE 52 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2k06 s ARG 53 N -2.54 2.38 0.22 6.28 0.52 -1.26 -5.13 118.95 119.41 2k06 s ARG 53 Ca 0.11 -1.08 0.00 0.00 -0.52 0.00 0.00 55.73 54.24 2k06 s ARG 53 Cb 0.15 -2.36 -0.05 0.00 0.52 0.00 0.00 34.95 33.21 2k06 s ARG 53 CO 0.66 0.47 0.09 0.20 0.02 0.00 0.00 175.30 176.74 2k06 s GLY 54 N -2.82 1.53 0.00 -3.53 0.00 -1.26 -4.83 107.32 96.41 2k06 s GLY 54 Ca 0.27 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.23 2k06 s GLY 54 CO 0.18 -1.51 0.00 0.61 0.00 0.00 0.00 173.10 172.38 2k06 n GLY 55 N -0.35 0.65 3.39 0.20 0.00 -1.26 -4.21 105.19 103.61 2k06 n GLY 55 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 2k06 n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k06 n GLN 56 N -2.00 -7.07 -2.18 1.61 6.02 -1.26 -4.93 117.38 107.57 2k06 n GLN 56 Ca 0.00 0.77 -0.41 0.00 -0.01 0.00 0.00 57.00 57.35 2k06 n GLN 56 Cb 0.00 -5.62 -0.03 0.00 1.02 0.00 0.00 30.24 25.61 2k06 n GLN 56 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2k06 s ARG 57 N -5.97 4.41 0.02 -1.09 0.52 -1.26 -5.03 118.95 110.55 2k06 s ARG 57 Ca 0.41 2.13 0.02 0.00 -0.52 0.00 0.00 55.73 57.78 2k06 s ARG 57 Cb -0.18 -3.10 -0.02 0.00 0.52 0.00 0.00 34.95 32.18 2k06 s ARG 57 CO 0.67 -0.12 -0.08 1.03 0.02 0.00 0.00 175.30 176.82 2k06 s ARG 58 N -1.63 0.57 -0.18 3.54 0.52 -1.26 -5.08 118.95 115.43 2k06 s ARG 58 Ca 0.49 -0.53 -0.06 0.00 -0.52 0.00 0.00 55.73 55.10 2k06 s ARG 58 Cb -0.38 -0.47 -0.04 0.00 0.52 0.00 0.00 34.95 34.58 2k06 s ARG 58 CO 0.50 0.11 0.04 0.15 0.02 0.00 0.00 175.30 176.12 2k06 s LYS 59 N -0.90 3.86 0.60 3.54 1.02 -1.26 -4.96 119.74 121.65 2k06 s LYS 59 Ca -0.03 -0.40 0.40 0.00 0.02 0.00 0.00 55.97 55.96 2k06 s LYS 59 Cb -0.06 -3.15 2.04 0.00 -0.52 0.00 0.00 37.83 36.14 2k06 s LYS 59 CO 0.00 0.22 2.21 0.77 -0.92 0.00 0.00 175.35 177.63 2k06 h SER 60 N 6.85 0.00 0.07 2.83 0.02 -2.03 -1.60 113.55 119.69 2k06 h SER 60 Ca -0.35 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.53 2k06 h SER 60 Cb 1.17 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 2k06 h SER 60 CO 0.67 0.00 -0.20 -0.33 -1.14 0.00 0.00 176.83 175.83 2k06 h GLU 61 N 0.00 0.25 -3.70 3.45 5.08 -1.95 -3.44 114.58 114.27 2k06 h GLU 61 Ca 0.00 -0.07 -0.23 0.00 -1.00 0.00 0.00 59.36 58.06 2k06 h GLU 61 Cb 0.14 -0.03 -0.28 0.00 0.50 0.00 0.00 28.75 29.09 2k06 h GLU 61 CO 0.00 0.45 -0.71 1.03 -1.00 0.00 0.00 179.01 178.78 2k06 s ARG 62 N -4.58 0.01 -0.22 2.33 0.52 -0.60 -2.71 118.95 113.70 2k06 s ARG 62 Ca -0.05 0.02 -0.12 0.00 -0.52 0.00 0.00 55.73 55.05 2k06 s ARG 62 Cb 0.15 0.01 -0.05 0.00 0.52 0.00 0.00 34.95 35.58 2k06 s ARG 62 CO 0.74 -0.00 0.25 0.15 0.02 0.00 0.00 175.30 176.46 2k06 s LYS 63 N 0.01 4.12 0.21 3.54 1.02 -1.26 -4.23 119.74 123.16 2k06 s LYS 63 Ca -0.00 -0.09 0.11 0.00 0.02 0.00 0.00 55.97 56.01 2k06 s LYS 63 Cb -0.00 -3.52 -0.05 0.00 -0.52 0.00 0.00 37.83 33.74 2k06 s LYS 63 CO 0.00 0.05 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.22 2k06 s PHE 64 N 1.06 2.35 -0.53 3.18 0.08 -1.26 -4.78 117.98 118.08 2k06 s PHE 64 Ca 0.12 -0.33 0.04 0.00 0.12 0.00 0.00 56.93 56.87 2k06 s PHE 64 Cb -0.14 -1.13 0.14 0.00 -0.57 0.00 0.00 43.02 41.33 2k06 s PHE 64 CO 0.05 0.55 0.31 -0.59 -0.10 0.00 0.00 175.22 175.44 2k06 s PHE 65 N -1.88 2.75 0.61 0.36 -0.71 -1.26 -5.10 117.98 112.76 2k06 s PHE 65 Ca 0.24 -2.92 -0.16 0.00 -1.04 0.00 0.00 56.93 53.04 2k06 s PHE 65 Cb -0.07 -2.38 -0.02 0.00 -1.21 0.00 0.00 43.02 39.33 2k06 s PHE 65 CO 0.12 -0.72 1.10 -1.25 -1.34 0.00 0.00 175.22 173.13 2k06 s PRO 66 N -0.32 3.07 0.00 1.99 0.04 -1.26 -3.59 135.00 134.93 2k06 s PRO 66 Ca 0.20 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2k06 s PRO 66 Cb -0.19 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2k06 s PRO 66 CO -0.05 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.36 2k06 n GLY 67 N -0.45 0.64 3.58 0.56 0.00 -1.26 -4.94 105.19 103.31 2k06 n GLY 67 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2k06 n GLY 67 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2k06 s TYR 68 N -2.05 3.03 -0.03 1.61 5.04 -1.24 -2.82 117.35 120.90 2k06 s TYR 68 Ca 0.00 -0.05 -0.06 0.00 -2.44 0.00 0.00 57.07 54.52 2k06 s TYR 68 Cb 0.00 -1.83 0.01 0.00 0.35 0.00 0.00 41.96 40.49 2k06 s TYR 68 CO 0.00 0.23 0.14 0.08 -1.34 0.00 0.00 175.55 174.66 2k06 s VAL 69 N -0.38 0.04 -0.12 3.14 1.01 -1.17 -4.52 120.40 118.40 2k06 s VAL 69 Ca 0.06 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.70 2k06 s VAL 69 Cb -0.12 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 2k06 s VAL 69 CO 0.02 -0.19 -0.13 -0.76 0.00 0.00 0.00 175.10 174.04 2k06 s LEU 70 N -0.63 2.74 -0.09 3.92 1.02 -1.05 -1.98 118.68 122.61 2k06 s LEU 70 Ca -0.07 -0.31 -0.04 0.00 0.02 0.00 0.00 54.13 53.73 2k06 s LEU 70 Cb -0.04 -1.61 0.05 0.00 0.02 0.00 0.00 46.19 44.60 2k06 s LEU 70 CO 0.01 0.18 0.18 -0.69 0.02 0.00 0.00 176.35 176.05 2k06 s VAL 71 N 0.25 -0.27 0.04 -1.59 1.01 -1.11 0.19 120.40 118.92 2k06 s VAL 71 Ca -0.09 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 2k06 s VAL 71 Cb -0.15 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 2k06 s VAL 71 CO 0.05 0.14 1.17 -1.58 0.00 0.00 0.00 175.10 174.88 2k06 s GLN 72 N 2.24 4.44 -0.18 2.72 0.74 0.03 -2.72 119.66 126.93 2k06 s GLN 72 Ca 0.02 1.71 -0.29 0.00 0.05 0.00 0.00 55.36 56.85 2k06 s GLN 72 Cb -0.12 -3.38 0.13 0.00 1.10 0.00 0.00 33.01 30.74 2k06 s GLN 72 CO -0.06 -0.24 1.00 1.41 -0.55 0.00 0.00 175.29 176.85 2k06 s MET 73 N 1.14 0.58 -0.43 1.67 1.75 -0.70 -0.31 119.30 122.99 2k06 s MET 73 Ca 0.58 0.23 -0.29 0.00 -1.25 0.00 0.00 55.69 54.96 2k06 s MET 73 Cb -0.28 0.27 0.01 0.00 2.84 0.00 0.00 34.83 37.68 2k06 s MET 73 CO 0.28 -0.16 1.37 0.08 -0.65 0.00 0.00 175.02 175.94 2k06 s VAL 74 N -0.84 3.94 0.03 10.11 1.01 -0.91 -3.95 120.40 129.80 2k06 s VAL 74 Ca -0.01 0.95 -0.31 0.00 0.00 0.00 0.00 61.98 62.62 2k06 s VAL 74 Cb -0.01 -4.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 2k06 s VAL 74 CO 0.00 -0.82 1.96 0.80 0.00 0.00 0.00 175.10 177.04 2k06 n MET 75 N 8.07 2.80 -3.93 2.72 1.56 -1.26 -4.71 117.12 122.38 2k06 n MET 75 Ca 0.16 1.03 -0.08 0.00 -0.27 0.00 0.00 57.70 58.53 2k06 n MET 75 Cb 0.48 -2.97 -0.03 0.00 2.15 0.00 0.00 33.22 32.85 2k06 n MET 75 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2k06 s ASN 76 N 4.33 -0.14 0.36 6.12 4.22 -1.26 -4.97 114.94 123.60 2k06 s ASN 76 Ca 0.89 -0.80 0.08 0.00 -2.14 0.00 0.00 52.86 50.88 2k06 s ASN 76 Cb -0.46 0.67 0.78 0.00 1.28 0.00 0.00 41.25 43.52 2k06 s ASN 76 CO 0.43 -1.27 1.92 0.44 -2.04 0.00 0.00 177.10 176.58 2k06 h ASP 77 N 2.12 0.65 0.00 3.54 3.32 -1.98 0.31 116.42 124.38 2k06 h ASP 77 Ca -0.23 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.84 2k06 h ASP 77 Cb 1.25 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2k06 h ASP 77 CO 0.30 0.38 0.00 0.00 -1.72 0.00 0.00 179.24 178.20 2k06 n ALA 78 N -2.45 -0.20 -0.24 3.45 0.00 -1.26 -1.84 120.51 117.97 2k06 n ALA 78 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.61 2k06 n ALA 78 Cb 0.34 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.92 2k06 n ALA 78 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2k06 h SER 79 N 0.00 -0.36 -0.41 0.00 4.64 -1.83 0.31 113.55 115.90 2k06 h SER 79 Ca 0.00 0.19 0.08 0.00 -0.47 0.00 0.00 61.79 61.59 2k06 h SER 79 Cb 0.00 0.33 -0.08 0.00 -0.31 0.00 0.00 62.40 62.34 2k06 h SER 79 CO 0.00 -0.17 -0.11 -0.25 -0.87 0.00 0.00 176.83 175.44 2k06 h TRP 80 N 0.10 -0.23 -0.58 4.77 7.01 -0.47 0.21 115.95 126.75 2k06 h TRP 80 Ca 0.38 0.04 -0.10 0.00 2.11 0.00 0.00 58.89 61.32 2k06 h TRP 80 Cb 0.65 0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.85 2k06 h TRP 80 CO -0.42 -0.18 -0.03 1.25 -2.79 0.00 0.00 178.44 176.27 2k06 h HIS 81 N -0.01 1.14 -0.30 2.65 2.76 -0.05 -2.70 115.15 118.64 2k06 h HIS 81 Ca 0.20 -0.20 0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2k06 h HIS 81 Cb 0.31 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 2k06 h HIS 81 CO -0.37 1.02 0.17 1.25 -1.30 0.00 0.00 177.93 178.69 2k06 h LEU 82 N 0.94 0.26 -0.27 0.26 6.46 0.10 -0.75 115.31 122.32 2k06 h LEU 82 Ca 0.16 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.97 2k06 h LEU 82 Cb 0.58 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.43 2k06 h LEU 82 CO 0.03 0.19 0.03 0.58 -0.62 0.00 0.00 178.44 178.66 2k06 h VAL 83 N 0.34 0.85 -0.70 1.05 2.07 -0.51 -1.16 116.25 118.19 2k06 h VAL 83 Ca 0.12 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.62 2k06 h VAL 83 Cb 0.01 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 2k06 h VAL 83 CO -0.06 0.02 0.46 -0.09 0.02 0.00 0.00 177.57 177.93 2k06 h ARG 84 N 0.12 0.87 -0.41 1.57 2.43 -1.14 -1.00 114.38 116.82 2k06 h ARG 84 Ca 0.12 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2k06 h ARG 84 Cb 0.14 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2k06 h ARG 84 CO -0.18 0.58 0.24 1.03 -1.51 0.00 0.00 179.97 180.12 2k06 h SER 85 N 0.90 0.48 -2.48 -3.80 0.87 0.09 -3.41 113.55 106.19 2k06 h SER 85 Ca 0.27 -0.02 -0.53 0.00 -1.23 0.00 0.00 61.79 60.28 2k06 h SER 85 Cb -0.02 -0.12 0.04 0.00 -0.44 0.00 0.00 62.40 61.85 2k06 h SER 85 CO -0.07 0.38 1.15 -0.69 -0.53 0.00 0.00 176.83 177.07 2k06 s VAL 86 N -5.43 2.62 0.83 2.23 1.01 -0.38 -4.96 120.40 116.33 2k06 s VAL 86 Ca -0.08 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.80 2k06 s VAL 86 Cb 0.17 -3.01 0.09 0.00 0.00 0.00 0.00 36.38 33.64 2k06 s VAL 86 CO 0.74 -0.00 1.09 -2.16 0.00 0.00 0.00 175.10 174.77 2k06 s PRO 87 N 3.17 1.76 -1.44 2.72 0.04 -1.26 -3.69 135.00 136.30 2k06 s PRO 87 Ca 0.83 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.78 2k06 s PRO 87 Cb -0.46 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.22 2k06 s PRO 87 CO 0.38 -1.92 0.00 0.54 0.04 0.00 0.00 177.00 176.04 2k06 n ARG 88 N -3.67 -1.26 -4.64 4.56 5.12 -1.26 -4.76 116.66 110.75 2k06 n ARG 88 Ca 0.08 0.83 -0.23 0.00 -1.93 0.00 0.00 57.85 56.60 2k06 n ARG 88 Cb 0.55 -5.20 -0.16 0.00 -1.16 0.00 0.00 32.46 26.49 2k06 n ARG 88 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2k06 s VAL 89 N -2.77 1.13 -0.13 1.55 0.11 -1.24 -2.72 120.40 116.32 2k06 s VAL 89 Ca 0.00 -0.57 -0.10 0.00 -2.93 0.00 0.00 61.98 58.38 2k06 s VAL 89 Cb 0.00 -0.97 -0.25 0.00 -1.53 0.00 0.00 36.38 33.63 2k06 s VAL 89 CO 0.00 0.33 0.35 0.24 -3.33 0.00 0.00 175.10 172.69 2k06 h MET 90 N 6.13 0.22 0.00 1.54 2.86 -1.86 -3.48 114.93 120.33 2k06 h MET 90 Ca -0.34 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 56.93 2k06 h MET 90 Cb 1.17 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.97 2k06 h MET 90 CO 0.48 1.18 0.00 0.41 1.06 0.00 0.00 176.91 180.04 2k06 n GLY 91 N 1.87 -0.36 3.89 8.32 0.00 -1.26 -4.99 105.19 112.66 2k06 n GLY 91 Ca -0.32 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 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 3.31 -0.15 1.61 0.40 -1.26 -1.10 117.98 116.79 2k06 s PHE 92 Ca 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 56.93 56.30 2k06 s PHE 92 Cb 0.00 -1.55 -0.03 0.00 0.51 0.00 0.00 43.02 41.96 2k06 s PHE 92 CO 0.00 0.50 -0.04 0.42 0.70 0.00 0.00 175.22 176.80 2k06 s ILE 93 N -1.88 3.85 0.00 0.64 1.01 -1.22 -4.69 121.20 118.92 2k06 s ILE 93 Ca 0.33 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.61 2k06 s ILE 93 Cb -0.10 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 39.70 2k06 s ILE 93 CO 0.27 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.32 2k06 n GLY 94 N 3.43 0.14 0.00 6.18 0.00 -1.26 -4.42 105.19 109.26 2k06 n GLY 94 Ca -0.17 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.34 1.40 -0.02 0.00 -1.26 -4.95 105.19 99.02 2k06 n GLY 95 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.35 0.00 -0.51 2.61 -2.24 -1.26 -5.03 114.28 107.51 2k06 n THR 96 Ca 0.00 -0.99 0.07 0.00 -2.27 0.00 0.00 64.05 60.86 2k06 n THR 96 Cb 0.00 0.35 0.34 0.00 -2.10 0.00 0.00 70.33 68.92 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 -1.82 4.73 0.00 3.42 3.41 -1.26 -4.02 113.62 118.07 2k06 n SER 97 Ca -0.03 -2.62 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 2k06 n SER 97 Cb 0.26 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 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 0.74 4.75 -3.31 4.04 8.00 -1.26 -4.78 116.55 124.73 2k06 n ASP 98 Ca 0.24 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.56 2k06 n ASP 98 Cb 0.95 0.73 -0.07 0.00 -0.02 0.00 0.00 41.12 42.71 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 -1.92 0.72 -0.02 -1.24 0.52 -1.26 -5.10 118.95 110.65 2k06 s ARG 99 Ca 0.00 -1.08 -0.30 0.00 -0.52 0.00 0.00 55.73 53.83 2k06 s ARG 99 Cb 0.00 -0.77 -0.07 0.00 0.52 0.00 0.00 34.95 34.63 2k06 s ARG 99 CO 0.00 -1.24 1.73 -1.25 0.02 0.00 0.00 175.30 174.56 2k06 s PRO 100 N 1.16 4.17 0.15 3.54 0.04 -1.26 -3.99 135.00 138.81 2k06 s PRO 100 Ca 0.20 2.31 -0.30 0.00 0.04 0.00 0.00 61.00 63.25 2k06 s PRO 100 Cb -0.12 -3.99 -0.07 0.00 0.04 0.00 0.00 34.50 30.36 2k06 s PRO 100 CO -0.05 -0.86 1.17 0.00 0.04 0.00 0.00 177.00 177.30 2k06 s ALA 101 N 3.99 3.40 0.61 8.56 0.00 -1.26 -4.95 121.76 132.11 2k06 s ALA 101 Ca 0.77 0.88 -0.17 0.00 0.00 0.00 0.00 51.96 53.44 2k06 s ALA 101 Cb -0.36 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.33 2k06 s ALA 101 CO 0.33 -0.33 1.12 -1.25 0.00 0.00 0.00 175.76 175.63 2k06 s PRO 102 N 0.03 3.01 0.28 0.00 0.04 -1.26 -4.80 135.00 132.30 2k06 s PRO 102 Ca 0.53 1.51 0.11 0.00 0.04 0.00 0.00 61.00 63.19 2k06 s PRO 102 Cb -0.31 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 2k06 s PRO 102 CO 0.34 -1.11 -0.15 0.96 0.04 0.00 0.00 177.00 177.09 2k06 s ILE 103 N -2.08 2.65 0.55 0.56 -4.36 -1.22 -5.05 121.20 112.27 2k06 s ILE 103 Ca 0.70 -2.28 -0.19 0.00 -0.26 0.00 0.00 60.65 58.62 2k06 s ILE 103 Cb -0.22 -2.45 -0.05 0.00 1.25 0.00 0.00 42.46 40.98 2k06 s ILE 103 CO 0.35 -0.37 1.12 -0.44 0.24 0.00 0.00 174.94 175.84 2k06 s SER 104 N -3.56 5.70 0.27 4.36 0.01 -1.26 -4.45 113.70 114.78 2k06 s SER 104 Ca 0.31 2.15 -0.03 0.00 1.31 0.00 0.00 55.95 59.69 2k06 s SER 104 Cb -0.05 -2.58 0.37 0.00 0.21 0.00 0.00 66.02 63.98 2k06 s SER 104 CO 0.16 -1.23 1.85 0.44 0.41 0.00 0.00 173.24 174.88 2k06 h ASP 105 N 1.11 0.87 -0.58 2.44 3.32 -1.99 -2.19 116.42 119.40 2k06 h ASP 105 Ca -0.50 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.39 2k06 h ASP 105 Cb 1.26 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 2k06 h ASP 105 CO 0.57 0.78 0.21 0.50 -1.72 0.00 0.00 179.24 179.58 2k06 h LYS 106 N 0.94 0.93 -0.98 3.56 3.64 -2.00 -2.30 116.57 120.35 2k06 h LYS 106 Ca 0.22 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2k06 h LYS 106 Cb 0.18 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 2k06 h LYS 106 CO -0.02 0.79 0.65 1.49 -2.27 0.00 0.00 179.45 180.08 2k06 h GLU 107 N 0.90 1.28 -0.49 1.90 4.81 -1.77 -1.30 114.58 119.91 2k06 h GLU 107 Ca 0.21 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 2k06 h GLU 107 Cb 0.23 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 2k06 h GLU 107 CO -0.01 0.85 0.15 0.28 -0.73 0.00 0.00 179.01 179.55 2k06 h VAL 108 N 1.32 1.20 -0.21 0.32 2.07 -1.24 -1.96 116.25 117.75 2k06 h VAL 108 Ca 0.36 -0.67 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 2k06 h VAL 108 Cb -0.13 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2k06 h VAL 108 CO -0.08 0.25 -0.33 0.44 0.02 0.00 0.00 177.57 177.87 2k06 h ASP 109 N 0.71 0.43 -0.48 0.57 3.32 -1.04 -2.83 116.42 117.11 2k06 h ASP 109 Ca 0.17 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 2k06 h ASP 109 Cb 0.21 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2k06 h ASP 109 CO -0.01 0.74 -0.01 0.00 -1.72 0.00 0.00 179.24 178.24 2k06 h ALA 110 N 1.29 0.98 -0.07 3.45 0.00 -0.65 -2.35 119.26 121.89 2k06 h ALA 110 Ca 0.04 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.69 2k06 h ALA 110 Cb 0.76 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2k06 h ALA 110 CO 0.06 0.62 -0.13 0.82 0.00 0.00 0.00 179.25 180.62 2k06 h ILE 111 N 0.84 0.65 -0.52 0.00 2.04 -1.20 -1.11 117.51 118.21 2k06 h ILE 111 Ca 0.15 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 2k06 h ILE 111 Cb 0.52 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 2k06 h ILE 111 CO 0.03 0.00 0.28 -0.03 0.00 0.00 0.00 178.15 178.43 2k06 h MET 112 N -0.19 0.71 -0.32 2.37 4.05 -1.49 -1.31 114.93 118.75 2k06 h MET 112 Ca 0.07 -0.07 0.01 0.00 -0.28 0.00 0.00 59.70 59.44 2k06 h MET 112 Cb 0.29 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.92 2k06 h MET 112 CO -0.18 0.53 0.21 -0.91 0.23 0.00 0.00 176.91 176.78 2k06 h ASN 113 N 0.72 0.33 -0.82 1.39 -0.26 -0.68 -1.26 115.58 115.00 2k06 h ASN 113 Ca 0.19 -0.01 0.10 0.00 -0.56 0.00 0.00 56.30 56.02 2k06 h ASN 113 Cb 0.02 -0.08 -0.06 0.00 -1.06 0.00 0.00 38.32 37.14 2k06 h ASN 113 CO -0.03 0.23 0.53 0.03 -1.06 0.00 0.00 177.43 177.13 2k06 h ARG 114 N 0.38 0.72 -0.86 0.81 3.08 -0.52 -0.05 114.38 117.94 2k06 h ARG 114 Ca 0.12 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.22 2k06 h ARG 114 Cb 0.03 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 29.85 2k06 h ARG 114 CO -0.03 0.48 0.56 -0.07 -1.07 0.00 0.00 179.97 179.84 2k06 h LEU 115 N 0.74 0.77 -1.06 3.04 3.38 -1.31 0.30 115.31 121.18 2k06 h LEU 115 Ca 0.38 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2k06 h LEU 115 Cb 0.48 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2k06 h LEU 115 CO -0.15 0.47 0.00 0.00 0.09 0.00 0.00 178.44 178.85 2k06 n GLN 116 N -4.51 1.68 -3.50 1.13 6.02 -0.07 -4.85 117.38 113.28 2k06 n GLN 116 Ca 0.14 -1.04 -0.38 0.00 -0.01 0.00 0.00 57.00 55.72 2k06 n GLN 116 Cb 0.29 -1.31 -0.06 0.00 1.02 0.00 0.00 30.24 30.18 2k06 n GLN 116 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2k06 s GLN 117 N -1.69 3.97 0.10 -1.09 0.74 0.11 -5.08 119.66 116.71 2k06 s GLN 117 Ca 0.26 0.36 0.05 0.00 0.05 0.00 0.00 55.36 56.08 2k06 s GLN 117 Cb 0.14 -3.26 -0.03 0.00 1.10 0.00 0.00 33.01 30.95 2k06 s GLN 117 CO 0.19 0.59 -0.14 0.14 -0.55 0.00 0.00 175.29 175.53 2k06 s VAL 118 N -0.74 1.22 -0.41 1.34 -7.23 -1.26 -4.49 120.40 108.84 2k06 s VAL 118 Ca 0.23 -1.56 0.05 0.00 -1.81 0.00 0.00 61.98 58.89 2k06 s VAL 118 Cb -0.16 -1.35 0.60 0.00 0.56 0.00 0.00 36.38 36.03 2k06 s VAL 118 CO 0.12 -0.35 1.76 0.61 -0.31 0.00 0.00 175.10 176.92 2k06 n GLY 119 N 0.82 4.76 0.35 2.32 0.00 -1.10 -4.61 105.19 107.72 2k06 n GLY 119 Ca -0.18 -1.24 0.08 0.00 0.00 0.00 0.00 46.02 44.69 2k06 n GLY 119 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2k06 h ASP 120 N 1.08 0.61 -2.97 1.61 3.32 -1.91 -3.20 116.42 114.96 2k06 h ASP 120 Ca 0.49 0.01 -0.62 0.00 0.02 0.00 0.00 57.03 56.93 2k06 h ASP 120 Cb 2.32 -0.12 -0.42 0.00 0.22 0.00 0.00 39.33 41.33 2k06 h ASP 120 CO 0.88 0.38 -0.57 2.29 -1.72 0.00 0.00 179.24 180.51 2k06 n LYS 121 N -4.49 1.93 0.28 3.56 2.85 -1.26 -4.89 118.16 116.14 2k06 n LYS 121 Ca 0.11 -4.52 0.17 0.00 -1.05 0.00 0.00 58.31 53.02 2k06 n LYS 121 Cb 0.28 -2.29 0.69 0.00 -0.65 0.00 0.00 35.03 33.06 2k06 n LYS 121 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 2k06 h PRO 122 N 5.23 0.00 0.00 -1.58 0.13 -1.92 -3.53 132.00 130.33 2k06 h PRO 122 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2k06 h PRO 122 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2k06 h PRO 122 CO 0.73 0.02 0.00 0.54 -0.23 0.00 0.00 178.00 179.06