#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 0.63 -0.13 7.83 0.87 -2.06 0.99 113.55 121.68 2k06 h SER 2 Ca 0.00 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 2k06 h SER 2 Cb 0.00 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2k06 h SER 2 CO 0.00 0.36 0.01 -0.33 -0.53 0.00 0.00 176.83 176.34 2k06 h GLU 3 N 0.69 0.32 -2.99 2.24 3.07 -2.10 -3.27 114.58 112.55 2k06 h GLU 3 Ca 0.38 -0.05 -0.64 0.00 -0.50 0.00 0.00 59.36 58.56 2k06 h GLU 3 Cb 0.54 -0.06 -0.41 0.00 -0.84 0.00 0.00 28.75 27.99 2k06 h GLU 3 CO -0.15 0.34 -0.46 0.00 -1.40 0.00 0.00 179.01 177.34 2k06 n ALA 4 N -2.49 3.62 -1.77 3.43 0.00 0.34 -5.08 120.51 118.57 2k06 n ALA 4 Ca 0.00 -4.59 -0.39 0.00 0.00 0.00 0.00 53.44 48.46 2k06 n ALA 4 Cb 0.19 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 2k06 n ALA 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2k06 s PRO 5 N -1.64 4.14 0.22 0.00 0.04 -1.21 -4.70 135.00 131.85 2k06 s PRO 5 Ca 0.28 1.88 -0.11 0.00 0.04 0.00 0.00 61.00 63.10 2k06 s PRO 5 Cb -0.02 -2.77 -0.07 0.00 0.04 0.00 0.00 34.50 31.68 2k06 s PRO 5 CO -0.13 -0.26 0.56 0.15 0.04 0.00 0.00 177.00 177.36 2k06 s LYS 6 N -2.16 3.84 0.03 4.56 1.02 -1.26 -5.09 119.74 120.68 2k06 s LYS 6 Ca 0.55 0.34 0.08 0.00 0.02 0.00 0.00 55.97 56.96 2k06 s LYS 6 Cb -0.32 -2.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.30 2k06 s LYS 6 CO 0.41 0.33 -0.25 0.15 -0.92 0.00 0.00 175.35 175.06 2k06 s LYS 7 N -2.71 1.79 0.18 1.68 1.02 -1.26 -4.76 119.74 115.69 2k06 s LYS 7 Ca 0.47 -1.01 0.08 0.00 0.02 0.00 0.00 55.97 55.53 2k06 s LYS 7 Cb -0.12 -1.88 -0.04 0.00 -0.52 0.00 0.00 37.83 35.27 2k06 s LYS 7 CO 0.21 0.50 -0.17 1.03 -0.92 0.00 0.00 175.35 175.99 2k06 s ARG 8 N -1.03 1.30 -0.20 1.68 0.52 -1.24 -4.95 118.95 115.04 2k06 s ARG 8 Ca 0.10 -1.47 -0.07 0.00 -0.52 0.00 0.00 55.73 53.77 2k06 s ARG 8 Cb -0.10 -1.29 -0.04 0.00 0.52 0.00 0.00 34.95 34.05 2k06 s ARG 8 CO 0.01 0.25 0.07 -1.58 0.02 0.00 0.00 175.30 174.07 2k06 s TRP 9 N -2.32 3.19 0.08 -0.53 0.52 -1.26 -0.54 118.94 118.09 2k06 s TRP 9 Ca 0.18 -0.07 0.08 0.00 0.02 0.00 0.00 56.10 56.31 2k06 s TRP 9 Cb -0.04 -2.13 -0.03 0.00 -1.15 0.00 0.00 33.47 30.12 2k06 s TRP 9 CO 0.07 -0.01 -0.21 0.71 0.02 0.00 0.00 176.95 177.54 2k06 s TYR 10 N 0.77 1.77 0.08 -1.98 2.02 -1.07 -3.68 117.35 115.26 2k06 s TYR 10 Ca 0.03 -0.40 -0.14 0.00 -0.37 0.00 0.00 57.07 56.20 2k06 s TYR 10 Cb -0.13 -1.00 -0.06 0.00 -0.40 0.00 0.00 41.96 40.36 2k06 s TYR 10 CO 0.02 0.16 0.47 0.08 -1.57 0.00 0.00 175.55 174.71 2k06 s VAL 11 N -1.03 4.95 -0.08 0.71 1.01 -1.26 -1.96 120.40 122.75 2k06 s VAL 11 Ca 0.06 0.78 0.05 0.00 0.00 0.00 0.00 61.98 62.87 2k06 s VAL 11 Cb -0.10 -3.72 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 2k06 s VAL 11 CO 0.03 0.39 -0.24 -0.69 0.00 0.00 0.00 175.10 174.59 2k06 s VAL 12 N -1.30 1.99 0.38 2.92 1.01 0.16 -3.19 120.40 122.38 2k06 s VAL 12 Ca 0.31 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.14 2k06 s VAL 12 Cb -0.16 -1.71 -0.08 0.00 0.00 0.00 0.00 36.38 34.43 2k06 s VAL 12 CO 0.17 0.55 0.80 -1.10 0.00 0.00 0.00 175.10 175.52 2k06 s GLN 13 N 0.10 3.95 -0.09 2.72 -0.21 -0.97 -1.37 119.66 123.79 2k06 s GLN 13 Ca -0.11 0.70 -0.30 0.00 0.02 0.00 0.00 55.36 55.66 2k06 s GLN 13 Cb -0.16 -2.35 0.10 0.00 1.00 0.00 0.00 33.01 31.60 2k06 s GLN 13 CO 0.06 0.02 0.82 0.00 -2.12 0.00 0.00 175.29 174.07 2k06 s ALA 14 N -2.20 -1.84 0.47 6.09 0.00 0.16 -3.00 121.76 121.45 2k06 s ALA 14 Ca 0.55 1.41 -0.24 0.00 0.00 0.00 0.00 51.96 53.67 2k06 s ALA 14 Cb -0.10 -0.28 -0.07 0.00 0.00 0.00 0.00 23.12 22.67 2k06 s ALA 14 CO 0.23 -0.36 1.40 -0.06 0.00 0.00 0.00 175.76 176.97 2k06 s PHE 15 N -1.26 2.45 0.31 0.00 0.08 -1.18 -3.91 117.98 114.46 2k06 s PHE 15 Ca -0.06 1.30 -0.29 0.00 0.12 0.00 0.00 56.93 57.99 2k06 s PHE 15 Cb -0.00 -3.87 -0.11 0.00 -0.57 0.00 0.00 43.02 38.47 2k06 s PHE 15 CO 0.05 -2.85 1.53 0.45 -0.10 0.00 0.00 175.22 174.30 2k06 s SER 16 N -0.64 6.43 0.00 1.36 0.15 -1.26 -1.32 113.70 118.42 2k06 s SER 16 Ca 0.63 2.92 0.00 0.00 0.70 0.00 0.00 55.95 60.20 2k06 s SER 16 Cb -0.42 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.25 2k06 s SER 16 CO 0.53 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2k06 n GLY 17 N 1.72 2.68 0.53 9.45 0.00 -1.26 -4.67 105.19 113.63 2k06 n GLY 17 Ca 0.06 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 -0.31 1.61 3.72 -0.68 -4.46 117.46 117.34 2k06 n PHE 18 Ca 0.00 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.42 2k06 n PHE 18 Cb 0.00 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 38.69 2k06 n PHE 18 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 2k06 h GLU 19 N 2.59 0.90 -0.74 -1.08 4.11 -1.47 -0.88 114.58 118.02 2k06 h GLU 19 Ca 0.00 -0.05 -0.04 0.00 0.07 0.00 0.00 59.36 59.33 2k06 h GLU 19 Cb 0.65 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2k06 h GLU 19 CO 0.00 0.59 0.29 0.78 0.07 0.00 0.00 179.01 180.74 2k06 h GLY 20 N 0.93 1.18 0.91 1.06 0.00 -1.88 -2.78 103.07 102.48 2k06 h GLY 20 Ca 0.39 -0.64 0.01 0.00 0.00 0.00 0.00 47.33 47.09 2k06 h GLY 20 CO -0.20 0.60 0.07 -0.09 0.00 0.00 0.00 176.54 176.93 2k06 h ARG 21 N 1.07 0.16 -1.05 4.80 2.43 -1.45 -1.73 114.38 118.61 2k06 h ARG 21 Ca 0.25 -0.01 0.35 0.00 -0.81 0.00 0.00 59.98 59.76 2k06 h ARG 21 Cb 0.21 -0.04 -0.15 0.00 -0.42 0.00 0.00 29.97 29.58 2k06 h ARG 21 CO -0.02 0.11 0.61 0.28 -1.51 0.00 0.00 179.97 179.44 2k06 h VAL 22 N 0.17 0.23 0.18 0.20 2.07 -1.11 0.29 116.25 118.28 2k06 h VAL 22 Ca 0.07 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.52 2k06 h VAL 22 Cb 0.02 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.73 2k06 h VAL 22 CO -0.06 0.04 -0.34 0.00 0.02 0.00 0.00 177.57 177.24 2k06 h ALA 23 N 1.82 -0.62 -0.11 1.67 0.00 -1.33 1.14 119.26 121.83 2k06 h ALA 23 Ca 0.76 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.59 2k06 h ALA 23 Cb 1.90 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 20.22 2k06 h ALA 23 CO -0.59 -0.90 0.04 1.15 0.00 0.00 0.00 179.25 178.95 2k06 h THR 24 N -0.60 1.16 -0.27 0.00 2.02 -0.57 -2.58 112.91 112.07 2k06 h THR 24 Ca 0.02 -0.47 0.04 0.00 0.77 0.00 0.00 66.41 66.77 2k06 h THR 24 Cb 0.61 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 68.23 2k06 h THR 24 CO -0.16 0.14 0.02 0.28 0.37 0.00 0.00 175.52 176.17 2k06 h SER 25 N 0.02 -0.06 -0.31 4.18 0.02 -0.61 -1.13 113.55 115.65 2k06 h SER 25 Ca 0.04 0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.10 2k06 h SER 25 Cb 0.18 0.09 -0.08 0.00 0.14 0.00 0.00 62.40 62.73 2k06 h SER 25 CO -0.00 0.00 -0.41 0.25 -1.14 0.00 0.00 176.83 175.53 2k06 h LEU 26 N 0.11 -1.32 -1.26 5.07 5.85 0.15 0.31 115.31 124.22 2k06 h LEU 26 Ca 0.13 0.20 0.12 0.00 0.84 0.00 0.00 57.88 59.16 2k06 h LEU 26 Cb 0.15 0.57 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 2k06 h LEU 26 CO -0.19 -0.38 0.57 -0.09 -0.34 0.00 0.00 178.44 178.00 2k06 h ARG 27 N -0.37 0.75 -0.34 1.25 2.43 -1.05 0.16 114.38 117.21 2k06 h ARG 27 Ca 0.12 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 2k06 h ARG 27 Cb 0.59 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 2k06 h ARG 27 CO -0.51 0.50 0.11 1.49 -1.51 0.00 0.00 179.97 180.05 2k06 h GLU 28 N 0.77 0.25 -0.25 0.20 4.81 0.83 0.38 114.58 121.58 2k06 h GLU 28 Ca 0.42 -0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.48 2k06 h GLU 28 Cb 0.56 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.89 2k06 h GLU 28 CO -0.19 0.16 -0.45 0.45 -0.73 0.00 0.00 179.01 178.25 2k06 h HIS 29 N 0.26 0.94 0.17 0.92 3.86 -0.02 -2.64 115.15 118.64 2k06 h HIS 29 Ca 0.16 -0.33 -0.00 0.00 -1.16 0.00 0.00 60.37 59.03 2k06 h HIS 29 Cb 0.14 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 2k06 h HIS 29 CO -0.15 1.12 -0.12 0.82 0.86 0.00 0.00 177.93 180.47 2k06 h ILE 30 N 0.48 0.75 -0.76 2.45 2.04 -0.26 0.21 117.51 122.43 2k06 h ILE 30 Ca 0.01 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.98 2k06 h ILE 30 Cb 1.06 0.75 -0.08 0.00 -0.74 0.00 0.00 36.82 37.81 2k06 h ILE 30 CO 0.10 0.00 0.39 0.50 0.00 0.00 0.00 178.15 179.14 2k06 h LYS 31 N -0.29 0.62 -0.11 2.37 3.64 -0.27 2.13 116.57 124.66 2k06 h LYS 31 Ca -0.01 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2k06 h LYS 31 Cb 0.25 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2k06 h LYS 31 CO 0.01 0.41 0.01 -0.07 -2.27 0.00 0.00 179.45 177.54 2k06 h LEU 32 N 0.63 0.17 -0.63 5.20 3.38 -1.05 -2.45 115.31 120.57 2k06 h LEU 32 Ca 0.38 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2k06 h LEU 32 Cb 0.42 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2k06 h LEU 32 CO -0.29 0.40 0.00 1.41 0.09 0.00 0.00 178.44 180.06 2k06 n HIS 33 N -4.84 0.17 -3.84 1.13 8.25 0.69 -4.90 115.22 111.88 2k06 n HIS 33 Ca -0.06 -0.08 -0.25 0.00 -0.26 0.00 0.00 57.72 57.07 2k06 n HIS 33 Cb 0.18 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.30 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 -0.10 -1.90 -1.12 0.41 5.15 0.69 -4.84 115.26 113.55 2k06 n ASN 34 Ca 0.12 -0.87 0.12 0.00 -0.60 0.00 0.00 54.58 53.35 2k06 n ASN 34 Cb 0.19 -3.69 0.25 0.00 -0.53 0.00 0.00 39.78 36.00 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 -4.41 2.45 -0.25 1.20 2.81 0.58 -4.37 117.12 115.12 2k06 n MET 35 Ca -0.20 -2.20 0.18 0.00 -1.81 0.00 0.00 57.70 53.67 2k06 n MET 35 Cb 0.63 -1.51 0.48 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 4.13 0.45 -0.82 0.03 5.08 -1.88 0.10 114.58 121.68 2k06 h GLU 36 Ca 0.00 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 2k06 h GLU 36 Cb 0.92 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.99 2k06 h GLU 36 CO 0.00 0.30 0.47 -0.44 -1.00 0.00 0.00 179.01 178.33 2k06 h ASP 37 N 0.46 0.67 0.20 1.42 3.32 -1.96 -2.75 116.42 117.78 2k06 h ASP 37 Ca 0.47 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.56 2k06 h ASP 37 Cb 1.09 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.56 2k06 h ASP 37 CO -0.19 0.38 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.54 2k06 h LEU 38 N 0.79 -0.23 -9.84 1.55 3.38 -1.14 -3.44 115.31 106.38 2k06 h LEU 38 Ca 0.39 -0.30 -0.53 0.00 0.09 0.00 0.00 57.88 57.54 2k06 h LEU 38 Cb 0.35 0.06 0.07 0.00 0.09 0.00 0.00 40.66 41.24 2k06 h LEU 38 CO -0.24 0.27 0.73 -0.36 0.09 0.00 0.00 178.44 178.92 2k06 s PHE 39 N -3.78 2.91 0.01 1.13 0.40 -0.90 -2.75 117.98 115.01 2k06 s PHE 39 Ca -0.13 1.17 -0.01 0.00 -0.60 0.00 0.00 56.93 57.36 2k06 s PHE 39 Cb 0.01 -3.84 -0.00 0.00 0.51 0.00 0.00 43.02 39.70 2k06 s PHE 39 CO 0.49 -2.53 -0.01 0.41 0.70 0.00 0.00 175.22 174.28 2k06 n GLY 40 N 1.35 -0.02 3.13 4.36 0.00 0.23 -4.81 105.19 109.43 2k06 n GLY 40 Ca 0.03 -0.01 -0.16 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 -1.29 0.71 0.12 1.61 2.12 -1.22 -4.96 118.70 115.78 2k06 s GLU 41 Ca -0.01 -0.86 0.11 0.00 0.36 0.00 0.00 54.97 54.56 2k06 s GLU 41 Cb 0.00 -0.62 -0.04 0.00 0.26 0.00 0.00 34.13 33.73 2k06 s GLU 41 CO 0.02 0.13 -0.27 0.08 -0.54 0.00 0.00 175.26 174.68 2k06 s VAL 42 N -1.29 2.24 0.04 3.70 1.01 -1.26 0.17 120.40 125.02 2k06 s VAL 42 Ca -0.05 -1.70 0.05 0.00 0.00 0.00 0.00 61.98 60.27 2k06 s VAL 42 Cb -0.10 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 2k06 s VAL 42 CO 0.01 0.13 -0.14 -0.04 0.00 0.00 0.00 175.10 175.07 2k06 s MET 43 N -1.93 0.90 -0.32 2.72 -1.94 0.20 -4.97 119.30 113.96 2k06 s MET 43 Ca 0.14 -0.77 -0.00 0.00 -1.71 0.00 0.00 55.69 53.35 2k06 s MET 43 Cb -0.10 -0.91 0.10 0.00 2.01 0.00 0.00 34.83 35.94 2k06 s MET 43 CO 0.05 0.22 0.10 0.08 -0.01 0.00 0.00 175.02 175.47 2k06 s VAL 44 N -0.89 1.04 -0.99 -6.03 1.01 -1.26 -2.91 120.40 110.36 2k06 s VAL 44 Ca 0.01 -1.55 0.15 0.00 0.00 0.00 0.00 61.98 60.59 2k06 s VAL 44 Cb -0.08 -1.78 0.12 0.00 0.00 0.00 0.00 36.38 34.64 2k06 s VAL 44 CO 0.01 -0.68 1.47 -0.81 0.00 0.00 0.00 175.10 175.10 2k06 n PRO 45 N 4.72 0.00 -0.16 2.72 -0.04 -1.26 -2.27 135.00 138.71 2k06 n PRO 45 Ca -0.01 0.25 0.09 0.00 -0.04 0.00 0.00 63.50 63.79 2k06 n PRO 45 Cb 0.42 -1.50 0.26 0.00 -0.04 0.00 0.00 33.50 32.64 2k06 n PRO 45 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2k06 n THR 46 N -1.51 0.41 -1.03 0.52 5.66 -1.26 -4.93 114.28 112.15 2k06 n THR 46 Ca 0.04 -0.49 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 2k06 n THR 46 Cb 0.17 0.38 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 2k06 n THR 46 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k06 n GLU 47 N 0.63 0.00 -2.42 1.09 1.02 -0.96 -4.59 120.64 115.41 2k06 n GLU 47 Ca 0.15 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.99 2k06 n GLU 47 Cb 0.36 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.77 2k06 n GLU 47 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2k06 s GLU 48 N 0.00 3.70 0.25 3.49 8.01 -1.26 -4.96 118.70 127.92 2k06 s GLU 48 Ca 0.00 0.58 -0.06 0.00 0.01 0.00 0.00 54.97 55.50 2k06 s GLU 48 Cb 0.00 -2.24 0.26 0.00 -4.31 0.00 0.00 34.13 27.83 2k06 s GLU 48 CO 0.00 -0.28 1.91 0.28 0.01 0.00 0.00 175.26 177.17 2k06 h VAL 49 N 0.42 1.26 -4.13 2.63 2.07 -1.98 -3.41 116.25 113.10 2k06 h VAL 49 Ca -0.46 -0.53 -0.69 0.00 0.82 0.00 0.00 66.70 65.84 2k06 h VAL 49 Cb 1.19 -0.12 -0.24 0.00 -1.52 0.00 0.00 31.29 30.60 2k06 h VAL 49 CO 0.62 0.26 -0.80 -0.69 0.02 0.00 0.00 177.57 176.99 2k06 s VAL 50 N -6.00 2.85 -0.02 2.57 1.01 -1.26 -5.12 120.40 114.42 2k06 s VAL 50 Ca -0.13 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.01 2k06 s VAL 50 Cb 0.18 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2k06 s VAL 50 CO 0.82 0.56 0.00 -0.70 0.00 0.00 0.00 175.10 175.78 2k06 s GLU 51 N -0.80 2.84 0.26 2.72 2.12 -1.26 -5.00 118.70 119.58 2k06 s GLU 51 Ca 0.12 -0.56 -0.02 0.00 0.36 0.00 0.00 54.97 54.87 2k06 s GLU 51 Cb -0.10 -2.70 0.52 0.00 0.26 0.00 0.00 34.13 32.10 2k06 s GLU 51 CO 0.01 0.65 1.74 0.82 -0.54 0.00 0.00 175.26 177.94 2k06 h ILE 52 N 3.69 0.67 -3.75 -3.70 2.04 -2.00 -3.40 117.51 111.07 2k06 h ILE 52 Ca -0.49 -0.18 -0.49 0.00 1.00 0.00 0.00 64.86 64.70 2k06 h ILE 52 Cb 1.18 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2k06 h ILE 52 CO 0.57 0.10 0.26 -0.13 0.00 0.00 0.00 178.15 178.94 2k06 s ARG 53 N -5.98 4.51 0.37 2.37 0.52 -1.26 -4.94 118.95 114.53 2k06 s ARG 53 Ca -0.12 1.19 0.06 0.00 -0.52 0.00 0.00 55.73 56.34 2k06 s ARG 53 Cb 0.22 -2.90 0.76 0.00 0.52 0.00 0.00 34.95 33.54 2k06 s ARG 53 CO 0.77 0.36 1.97 0.78 0.02 0.00 0.00 175.30 179.20 2k06 h GLY 54 N 3.43 0.92 0.00 -3.53 0.00 -1.98 -3.48 103.07 98.42 2k06 h GLY 54 Ca -0.47 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.57 2k06 h GLY 54 CO 0.65 0.22 0.00 0.61 0.00 0.00 0.00 176.54 178.03 2k06 n GLY 55 N -1.45 -1.24 0.37 4.60 0.00 -1.26 -4.48 105.19 101.73 2k06 n GLY 55 Ca 0.10 -1.60 -0.02 0.00 0.00 0.00 0.00 46.02 44.49 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 0.00 1.27 -4.73 1.61 4.20 -2.00 -3.43 115.11 112.03 2k06 h GLN 56 Ca 0.00 -0.08 -0.33 0.00 0.06 0.00 0.00 58.65 58.30 2k06 h GLN 56 Cb 0.00 -0.29 -0.24 0.00 0.30 0.00 0.00 27.48 27.26 2k06 h GLN 56 CO 0.00 0.84 -0.76 1.03 -0.67 0.00 0.00 178.83 179.28 2k06 s ARG 57 N -6.12 0.62 0.35 1.46 0.52 -1.26 -5.03 118.95 109.49 2k06 s ARG 57 Ca -0.13 -0.63 0.08 0.00 -0.52 0.00 0.00 55.73 54.52 2k06 s ARG 57 Cb 0.18 -0.50 0.66 0.00 0.52 0.00 0.00 34.95 35.80 2k06 s ARG 57 CO 0.81 0.12 1.85 0.00 0.02 0.00 0.00 175.30 178.10 2k06 h ARG 58 N 4.95 0.28 -5.38 3.54 3.08 -1.83 -3.42 114.38 115.59 2k06 h ARG 58 Ca -0.35 -0.08 -0.49 0.00 0.07 0.00 0.00 59.98 59.13 2k06 h ARG 58 Cb 1.19 -0.03 -0.29 0.00 0.08 0.00 0.00 29.97 30.93 2k06 h ARG 58 CO 0.44 0.47 -0.81 0.21 -1.07 0.00 0.00 179.97 179.20 2k06 s LYS 59 N -4.59 1.18 -0.07 0.04 2.20 -1.26 -5.10 119.74 112.13 2k06 s LYS 59 Ca -0.06 -0.56 -0.13 0.00 -0.36 0.00 0.00 55.97 54.87 2k06 s LYS 59 Cb 0.15 -1.15 -0.05 0.00 -1.51 0.00 0.00 37.83 35.27 2k06 s LYS 59 CO 0.75 0.31 0.33 0.45 -0.36 0.00 0.00 175.35 176.83 2k06 s SER 60 N -0.44 6.62 0.42 1.43 0.15 -1.26 -4.97 113.70 115.65 2k06 s SER 60 Ca 0.05 0.73 0.22 0.00 0.70 0.00 0.00 55.95 57.66 2k06 s SER 60 Cb -0.06 -2.20 0.40 0.00 -1.71 0.00 0.00 66.02 62.46 2k06 s SER 60 CO -0.00 0.27 1.62 -0.33 1.20 0.00 0.00 173.24 175.99 2k06 h GLU 61 N 5.37 0.00 -6.29 5.44 5.08 -2.00 -3.44 114.58 118.75 2k06 h GLU 61 Ca -0.49 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.24 2k06 h GLU 61 Cb 1.21 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 30.18 2k06 h GLU 61 CO 0.65 0.12 -0.86 1.03 -1.00 0.00 0.00 179.01 178.95 2k06 s ARG 62 N -3.22 1.69 0.08 2.33 0.52 -1.26 -5.14 118.95 113.95 2k06 s ARG 62 Ca 0.05 -0.91 0.07 0.00 -0.52 0.00 0.00 55.73 54.43 2k06 s ARG 62 Cb 0.06 -1.73 -0.04 0.00 0.52 0.00 0.00 34.95 33.76 2k06 s ARG 62 CO 0.67 0.46 -0.15 0.15 0.02 0.00 0.00 175.30 176.46 2k06 s LYS 63 N -0.87 2.05 -0.14 3.54 1.02 -1.26 -5.12 119.74 118.96 2k06 s LYS 63 Ca 0.09 -1.02 -0.05 0.00 0.02 0.00 0.00 55.97 55.01 2k06 s LYS 63 Cb -0.09 -2.23 -0.04 0.00 -0.52 0.00 0.00 37.83 34.95 2k06 s LYS 63 CO 0.01 0.52 0.05 -0.06 -0.92 0.00 0.00 175.35 174.94 2k06 s PHE 64 N -1.07 3.26 -1.25 3.18 0.08 -1.26 -4.55 117.98 116.36 2k06 s PHE 64 Ca 0.18 0.16 -0.22 0.00 0.12 0.00 0.00 56.93 57.17 2k06 s PHE 64 Cb -0.11 -1.94 0.02 0.00 -0.57 0.00 0.00 43.02 40.41 2k06 s PHE 64 CO 0.09 0.35 0.62 1.19 -0.10 0.00 0.00 175.22 177.37 2k06 n PHE 65 N 2.78 -1.59 -2.17 0.36 3.72 -1.26 -4.65 117.46 114.65 2k06 n PHE 65 Ca -0.18 0.34 -0.43 0.00 -0.05 0.00 0.00 57.45 57.14 2k06 n PHE 65 Cb 0.53 -3.14 -0.02 0.00 -0.94 0.00 0.00 39.48 35.91 2k06 n PHE 65 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2k06 s PRO 66 N -6.81 3.68 0.00 -1.08 0.04 -1.26 -2.38 135.00 127.18 2k06 s PRO 66 Ca 0.37 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2k06 s PRO 66 Cb -0.17 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.32 2k06 s PRO 66 CO 0.93 -1.43 0.00 0.41 0.04 0.00 0.00 177.00 176.95 2k06 n GLY 67 N 4.84 0.50 3.46 0.56 0.00 -1.25 -4.77 105.19 108.53 2k06 n GLY 67 Ca 0.19 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 2k06 n GLY 67 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k06 s TYR 68 N -2.00 2.99 0.00 1.61 1.51 -1.00 0.40 117.35 120.86 2k06 s TYR 68 Ca 0.00 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.68 2k06 s TYR 68 Cb 0.00 -1.96 -0.01 0.00 -0.11 0.00 0.00 41.96 39.88 2k06 s TYR 68 CO 0.00 -0.11 -0.09 0.08 -1.11 0.00 0.00 175.55 174.32 2k06 s VAL 69 N 0.48 0.68 -0.16 0.71 1.01 -0.47 -4.51 120.40 118.16 2k06 s VAL 69 Ca -0.04 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 2k06 s VAL 69 Cb -0.15 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 2k06 s VAL 69 CO 0.03 0.11 0.01 -0.76 0.00 0.00 0.00 175.10 174.49 2k06 s LEU 70 N -0.43 3.56 -0.05 3.92 2.01 -1.14 0.35 118.68 126.91 2k06 s LEU 70 Ca 0.02 0.01 -0.02 0.00 0.01 0.00 0.00 54.13 54.15 2k06 s LEU 70 Cb -0.04 -1.87 0.03 0.00 0.01 0.00 0.00 46.19 44.32 2k06 s LEU 70 CO -0.00 0.21 0.07 -0.69 1.01 0.00 0.00 176.35 176.95 2k06 s VAL 71 N 0.17 -0.13 -0.08 -1.59 1.01 -0.83 0.63 120.40 119.58 2k06 s VAL 71 Ca 0.02 0.40 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 2k06 s VAL 71 Cb -0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 2k06 s VAL 71 CO 0.02 0.17 1.16 -1.58 0.00 0.00 0.00 175.10 174.86 2k06 s GLN 72 N 2.10 4.36 0.02 2.72 0.74 0.13 -2.61 119.66 127.12 2k06 s GLN 72 Ca 0.04 1.60 -0.27 0.00 0.05 0.00 0.00 55.36 56.77 2k06 s GLN 72 Cb -0.12 -3.57 0.08 0.00 1.10 0.00 0.00 33.01 30.50 2k06 s GLN 72 CO -0.03 -0.44 0.74 1.41 -0.55 0.00 0.00 175.29 176.41 2k06 s MET 73 N 2.29 1.02 -0.06 1.67 1.75 0.30 0.77 119.30 127.05 2k06 s MET 73 Ca 0.54 -0.15 -0.24 0.00 -1.25 0.00 0.00 55.69 54.59 2k06 s MET 73 Cb -0.23 0.48 -0.04 0.00 2.84 0.00 0.00 34.83 37.88 2k06 s MET 73 CO 0.20 -0.40 0.72 0.08 -0.65 0.00 0.00 175.02 174.97 2k06 s VAL 74 N -2.56 5.03 0.17 10.11 1.01 -1.11 -3.63 120.40 129.42 2k06 s VAL 74 Ca -0.02 1.49 -0.30 0.00 0.00 0.00 0.00 61.98 63.15 2k06 s VAL 74 Cb -0.01 -4.06 -0.08 0.00 0.00 0.00 0.00 36.38 32.24 2k06 s VAL 74 CO -0.04 0.25 1.11 -0.32 0.00 0.00 0.00 175.10 176.10 2k06 s MET 75 N 0.79 4.58 0.00 2.72 1.75 -1.26 -4.87 119.30 123.00 2k06 s MET 75 Ca 0.38 1.73 0.00 0.00 -1.25 0.00 0.00 55.69 56.56 2k06 s MET 75 Cb -0.18 -3.28 0.00 0.00 2.84 0.00 0.00 34.83 34.21 2k06 s MET 75 CO 0.19 0.05 0.00 0.27 -0.65 0.00 0.00 175.02 174.87 2k06 n ASN 76 N 2.45 0.00 -2.12 1.11 6.94 -1.26 -5.03 115.26 117.35 2k06 n ASN 76 Ca 0.03 -0.10 -0.26 0.00 -0.02 0.00 0.00 54.58 54.24 2k06 n ASN 76 Cb 0.46 0.00 0.14 0.00 -2.36 0.00 0.00 39.78 38.02 2k06 n ASN 76 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2k06 n ASP 77 N -0.18 5.12 0.00 0.53 8.00 -1.26 -4.25 116.55 124.51 2k06 n ASP 77 Ca 0.00 -3.71 0.00 0.00 0.71 0.00 0.00 54.79 51.79 2k06 n ASP 77 Cb 0.00 -0.83 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 2k06 n ASP 77 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k06 n ALA 78 N -1.03 1.52 -0.17 2.24 0.00 -1.26 -4.88 120.51 116.93 2k06 n ALA 78 Ca 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.92 2k06 n ALA 78 Cb 1.17 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.63 2k06 n ALA 78 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2k06 h SER 79 N 0.00 0.66 -0.62 0.00 0.02 -1.90 -1.07 113.55 110.64 2k06 h SER 79 Ca 0.00 -0.17 0.12 0.00 -0.84 0.00 0.00 61.79 60.90 2k06 h SER 79 Cb 0.00 -0.17 -0.09 0.00 0.14 0.00 0.00 62.40 62.27 2k06 h SER 79 CO 0.00 0.65 0.10 -0.25 -1.14 0.00 0.00 176.83 176.19 2k06 h TRP 80 N 0.63 0.15 -0.17 3.45 7.01 -1.90 0.19 115.95 125.31 2k06 h TRP 80 Ca 0.16 0.04 -0.12 0.00 2.11 0.00 0.00 58.89 61.08 2k06 h TRP 80 Cb 0.20 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.28 2k06 h TRP 80 CO 0.00 -0.08 -0.41 0.45 -2.79 0.00 0.00 178.44 175.62 2k06 h HIS 81 N 0.22 0.46 -0.69 2.65 3.86 -1.81 -2.86 115.15 116.98 2k06 h HIS 81 Ca 0.33 -0.13 -0.05 0.00 -1.16 0.00 0.00 60.37 59.36 2k06 h HIS 81 Cb 0.52 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.86 2k06 h HIS 81 CO -0.28 0.74 0.24 1.25 0.86 0.00 0.00 177.93 180.74 2k06 h LEU 82 N 0.33 0.96 -0.04 2.43 5.85 0.59 -2.02 115.31 123.40 2k06 h LEU 82 Ca 0.03 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 2k06 h LEU 82 Cb 0.86 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 2k06 h LEU 82 CO 0.07 0.88 0.03 0.58 -0.34 0.00 0.00 178.44 179.66 2k06 h VAL 83 N 1.01 1.04 -0.59 1.05 2.07 -0.67 -2.02 116.25 118.14 2k06 h VAL 83 Ca 0.23 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.68 2k06 h VAL 83 Cb 0.25 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2k06 h VAL 83 CO -0.01 0.03 0.39 -0.09 0.02 0.00 0.00 177.57 177.91 2k06 h ARG 84 N 0.02 0.66 -0.33 1.57 2.43 -1.40 -0.58 114.38 116.76 2k06 h ARG 84 Ca 0.01 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2k06 h ARG 84 Cb 0.03 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 2k06 h ARG 84 CO -0.00 0.44 0.07 0.77 -1.51 0.00 0.00 179.97 179.73 2k06 h SER 85 N 0.68 0.44 -1.73 -3.80 0.02 -0.67 -3.43 113.55 105.07 2k06 h SER 85 Ca 0.24 -0.06 -0.68 0.00 -0.84 0.00 0.00 61.79 60.45 2k06 h SER 85 Cb 0.10 -0.11 0.05 0.00 0.14 0.00 0.00 62.40 62.57 2k06 h SER 85 CO -0.06 0.46 0.60 0.52 -1.14 0.00 0.00 176.83 177.21 2k06 n VAL 86 N -4.34 0.08 -1.64 2.27 0.31 -0.23 -4.91 118.33 109.87 2k06 n VAL 86 Ca 0.02 -0.01 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 2k06 n VAL 86 Cb 0.19 -1.01 0.05 0.00 -0.91 0.00 0.00 33.84 32.16 2k06 n VAL 86 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2k06 s PRO 87 N 1.26 2.73 -1.33 5.55 0.04 -1.26 -3.62 135.00 138.36 2k06 s PRO 87 Ca 0.87 1.27 -0.03 0.00 0.04 0.00 0.00 61.00 63.15 2k06 s PRO 87 Cb -0.94 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 31.66 2k06 s PRO 87 CO 0.50 -1.29 0.41 0.54 0.04 0.00 0.00 177.00 177.20 2k06 n ARG 88 N -2.73 -3.57 -4.64 4.56 1.74 -1.26 -4.72 116.66 106.03 2k06 n ARG 88 Ca 0.10 0.78 -0.24 0.00 -0.77 0.00 0.00 57.85 57.71 2k06 n ARG 88 Cb 0.52 -5.30 -0.16 0.00 -1.02 0.00 0.00 32.46 26.50 2k06 n ARG 88 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2k06 s VAL 89 N -3.03 1.17 -0.04 1.55 0.11 -1.24 -3.13 120.40 115.78 2k06 s VAL 89 Ca 0.20 -0.56 -0.22 0.00 -2.93 0.00 0.00 61.98 58.48 2k06 s VAL 89 Cb -0.09 -1.02 -0.31 0.00 -1.53 0.00 0.00 36.38 33.43 2k06 s VAL 89 CO 0.25 0.35 0.92 0.24 -3.33 0.00 0.00 175.10 173.53 2k06 h MET 90 N 6.44 0.31 0.00 1.54 2.86 -1.87 -3.48 114.93 120.73 2k06 h MET 90 Ca -0.32 -0.50 0.00 0.00 -2.06 0.00 0.00 59.70 56.81 2k06 h MET 90 Cb 1.18 0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.02 2k06 h MET 90 CO 0.48 1.23 0.00 0.41 1.06 0.00 0.00 176.91 180.09 2k06 n GLY 91 N 1.61 -0.57 3.72 8.32 0.00 -1.26 -5.02 105.19 111.99 2k06 n GLY 91 Ca -0.13 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 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 2.64 -0.04 1.61 0.08 -1.26 -2.29 117.98 114.72 2k06 s PHE 92 Ca 0.00 -0.48 0.07 0.00 0.12 0.00 0.00 56.93 56.64 2k06 s PHE 92 Cb 0.00 -1.75 -0.01 0.00 -0.57 0.00 0.00 43.02 40.69 2k06 s PHE 92 CO 0.00 0.29 -0.24 0.42 -0.10 0.00 0.00 175.22 175.60 2k06 s ILE 93 N -2.51 1.92 -3.41 0.64 -1.09 -1.19 -4.86 121.20 110.70 2k06 s ILE 93 Ca 0.39 -1.02 0.00 0.00 -2.23 0.00 0.00 60.65 57.79 2k06 s ILE 93 Cb 0.00 -1.61 0.00 0.00 -1.58 0.00 0.00 42.46 39.27 2k06 s ILE 93 CO 0.22 0.54 0.00 0.61 -1.23 0.00 0.00 174.94 175.08 2k06 n GLY 94 N 2.73 -0.55 0.11 6.18 0.00 -1.26 -4.27 105.19 108.14 2k06 n GLY 94 Ca -0.17 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 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 0.28 -1.56 -0.02 0.00 -1.88 -3.44 103.07 96.45 2k06 h GLY 95 Ca 0.00 -0.47 -0.61 0.00 0.00 0.00 0.00 47.33 46.25 2k06 h GLY 95 CO 0.00 0.42 -0.59 -0.51 0.00 0.00 0.00 176.54 175.86 2k06 s THR 96 N -3.19 1.73 -0.77 4.70 -4.23 -1.25 -5.01 115.64 107.61 2k06 s THR 96 Ca -0.15 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.45 2k06 s THR 96 Cb 0.02 -2.85 0.47 0.00 1.34 0.00 0.00 72.50 71.48 2k06 s THR 96 CO 0.77 0.00 1.24 -1.20 -0.54 0.00 0.00 174.62 174.89 2k06 n SER 97 N -0.96 3.57 0.00 3.99 7.64 -1.26 -3.86 113.62 122.73 2k06 n SER 97 Ca -0.06 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.35 2k06 n SER 97 Cb 0.67 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 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 0.42 3.72 -3.44 6.43 8.00 -1.26 -4.82 116.55 125.61 2k06 n ASP 98 Ca 0.16 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.45 2k06 n ASP 98 Cb 0.74 0.34 -0.11 0.00 -0.02 0.00 0.00 41.12 42.08 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 -1.76 0.32 0.18 -1.24 0.52 -1.25 -5.05 118.95 110.67 2k06 s ARG 99 Ca 0.00 -0.39 -0.31 0.00 -0.52 0.00 0.00 55.73 54.52 2k06 s ARG 99 Cb 0.00 -0.85 -0.09 0.00 0.52 0.00 0.00 34.95 34.53 2k06 s ARG 99 CO 0.00 -1.05 1.43 -1.25 0.02 0.00 0.00 175.30 174.45 2k06 s PRO 100 N 2.13 4.30 0.29 3.54 0.04 -1.26 -3.81 135.00 140.23 2k06 s PRO 100 Ca 0.10 2.20 -0.29 0.00 0.04 0.00 0.00 61.00 63.04 2k06 s PRO 100 Cb -0.15 -3.18 -0.10 0.00 0.04 0.00 0.00 34.50 31.11 2k06 s PRO 100 CO -0.30 -0.43 1.41 0.00 0.04 0.00 0.00 177.00 177.72 2k06 s ALA 101 N 0.60 3.59 0.61 8.56 0.00 -1.26 -4.82 121.76 129.04 2k06 s ALA 101 Ca 0.63 1.35 -0.17 0.00 0.00 0.00 0.00 51.96 53.76 2k06 s ALA 101 Cb -0.40 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.16 2k06 s ALA 101 CO 0.36 -0.76 1.13 -1.25 0.00 0.00 0.00 175.76 175.24 2k06 s PRO 102 N -0.98 3.00 0.30 0.00 0.04 -1.26 -4.84 135.00 131.26 2k06 s PRO 102 Ca 0.56 1.52 0.08 0.00 0.04 0.00 0.00 61.00 63.19 2k06 s PRO 102 Cb -0.42 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.09 2k06 s PRO 102 CO 0.48 -1.11 -0.08 0.96 0.04 0.00 0.00 177.00 177.29 2k06 s ILE 103 N -2.05 1.89 0.46 0.56 -4.36 -1.24 -5.05 121.20 111.40 2k06 s ILE 103 Ca 0.70 -2.17 -0.12 0.00 -0.26 0.00 0.00 60.65 58.80 2k06 s ILE 103 Cb -0.23 -2.50 -0.07 0.00 1.25 0.00 0.00 42.46 40.92 2k06 s ILE 103 CO 0.35 -0.28 0.87 -0.94 0.24 0.00 0.00 174.94 175.18 2k06 s SER 104 N -3.50 6.52 0.44 4.36 1.04 -1.26 -4.44 113.70 116.86 2k06 s SER 104 Ca 0.30 1.30 0.13 0.00 0.48 0.00 0.00 55.95 58.17 2k06 s SER 104 Cb 0.03 -2.40 0.96 0.00 0.10 0.00 0.00 66.02 64.71 2k06 s SER 104 CO 0.13 -0.51 1.98 0.44 0.98 0.00 0.00 173.24 176.26 2k06 h ASP 105 N 0.96 0.04 -0.39 7.02 3.32 -1.99 -2.08 116.42 123.30 2k06 h ASP 105 Ca -0.47 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.50 2k06 h ASP 105 Cb 1.19 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.71 2k06 h ASP 105 CO 0.63 0.22 -0.02 0.50 -1.72 0.00 0.00 179.24 178.85 2k06 h LYS 106 N 0.04 0.79 -0.68 3.56 3.64 -1.99 -1.99 116.57 119.94 2k06 h LYS 106 Ca 0.01 -0.22 -0.08 0.00 -1.27 0.00 0.00 60.65 59.09 2k06 h LYS 106 Cb 0.33 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.03 2k06 h LYS 106 CO 0.02 0.81 0.12 1.49 -2.27 0.00 0.00 179.45 179.63 2k06 h GLU 107 N 0.74 1.12 -0.23 1.90 4.81 -1.76 -1.57 114.58 119.58 2k06 h GLU 107 Ca 0.14 -0.29 -0.09 0.00 -0.13 0.00 0.00 59.36 58.99 2k06 h GLU 107 Cb 0.48 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2k06 h GLU 107 CO 0.02 1.01 -0.24 0.28 -0.73 0.00 0.00 179.01 179.35 2k06 h VAL 108 N 1.05 1.26 -0.14 0.32 2.07 -1.31 -2.20 116.25 117.30 2k06 h VAL 108 Ca 0.21 -1.22 -0.14 0.00 0.82 0.00 0.00 66.70 66.37 2k06 h VAL 108 Cb 0.43 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2k06 h VAL 108 CO 0.01 0.39 -0.50 0.44 0.02 0.00 0.00 177.57 177.93 2k06 h ASP 109 N 0.38 0.41 -0.37 0.57 3.32 -0.92 -3.01 116.42 116.80 2k06 h ASP 109 Ca 0.06 -0.20 -0.15 0.00 0.02 0.00 0.00 57.03 56.75 2k06 h ASP 109 Cb 0.64 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2k06 h ASP 109 CO 0.05 0.84 -0.34 0.00 -1.72 0.00 0.00 179.24 178.07 2k06 h ALA 110 N 1.17 0.63 -0.04 3.45 0.00 -0.92 -1.96 119.26 121.60 2k06 h ALA 110 Ca 0.01 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.51 2k06 h ALA 110 Cb 0.99 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2k06 h ALA 110 CO 0.08 0.67 -0.10 0.82 0.00 0.00 0.00 179.25 180.73 2k06 h ILE 111 N 0.76 0.73 -0.62 0.00 2.04 -1.29 -1.92 117.51 117.20 2k06 h ILE 111 Ca 0.07 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 2k06 h ILE 111 Cb 0.93 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 2k06 h ILE 111 CO 0.09 0.00 0.20 0.24 0.00 0.00 0.00 178.15 178.68 2k06 h MET 112 N -0.16 0.94 -0.91 2.37 2.86 -1.50 -2.28 114.93 116.25 2k06 h MET 112 Ca 0.05 -0.18 0.14 0.00 -2.06 0.00 0.00 59.70 57.65 2k06 h MET 112 Cb 0.23 -0.15 -0.07 0.00 0.06 0.00 0.00 31.60 31.66 2k06 h MET 112 CO -0.13 0.80 0.59 -0.91 1.06 0.00 0.00 176.91 178.32 2k06 h ASN 113 N 0.91 0.71 -0.01 1.22 -0.26 -0.60 -1.73 115.58 115.83 2k06 h ASN 113 Ca 0.21 0.04 0.03 0.00 -0.56 0.00 0.00 56.30 56.02 2k06 h ASN 113 Cb 0.25 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 37.38 2k06 h ASN 113 CO -0.01 0.36 -0.18 0.03 -1.06 0.00 0.00 177.43 176.57 2k06 h ARG 114 N 0.75 -0.28 -0.88 0.81 3.08 -0.84 -1.93 114.38 115.10 2k06 h ARG 114 Ca 0.46 0.02 0.21 0.00 0.07 0.00 0.00 59.98 60.74 2k06 h ARG 114 Cb 0.68 0.06 -0.16 0.00 0.08 0.00 0.00 29.97 30.63 2k06 h ARG 114 CO -0.22 -0.18 -0.04 1.25 -1.07 0.00 0.00 179.97 179.71 2k06 h LEU 115 N -0.29 -0.51 -2.20 3.04 5.85 -1.38 2.11 115.31 121.94 2k06 h LEU 115 Ca 0.06 0.24 0.04 0.00 0.84 0.00 0.00 57.88 59.06 2k06 h LEU 115 Cb 0.36 0.45 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 2k06 h LEU 115 CO -0.17 -0.27 0.14 1.56 -0.34 0.00 0.00 178.44 179.36 2k06 h GLN 116 N 0.05 0.00 -6.38 1.25 4.20 -1.35 -3.40 115.11 109.49 2k06 h GLN 116 Ca 0.48 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.66 2k06 h GLN 116 Cb 0.89 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.64 2k06 h GLN 116 CO -0.82 0.00 0.23 -1.14 -0.67 0.00 0.00 178.83 176.43 2k06 s GLN 117 N -4.78 4.56 0.41 1.46 0.74 0.71 -4.93 119.66 117.83 2k06 s GLN 117 Ca -0.05 1.20 0.11 0.00 0.05 0.00 0.00 55.36 56.67 2k06 s GLN 117 Cb 0.16 -3.38 0.87 0.00 1.10 0.00 0.00 33.01 31.77 2k06 s GLN 117 CO 0.60 0.23 1.95 0.28 -0.55 0.00 0.00 175.29 177.81 2k06 h VAL 118 N 4.16 1.15 -0.38 1.34 2.07 -1.79 -3.46 116.25 119.34 2k06 h VAL 118 Ca -0.43 -0.68 -0.17 0.00 0.82 0.00 0.00 66.70 66.24 2k06 h VAL 118 Cb 1.21 1.21 -0.07 0.00 -1.52 0.00 0.00 31.29 32.13 2k06 h VAL 118 CO 0.72 0.21 -0.15 0.61 0.02 0.00 0.00 177.57 178.97 2k06 n GLY 119 N -0.97 0.98 3.79 2.17 0.00 -1.26 -5.00 105.19 104.90 2k06 n GLY 119 Ca -0.01 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 2k06 n GLY 119 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k06 s ASP 120 N -2.73 3.14 -0.58 1.61 1.47 -1.26 -5.03 116.67 113.29 2k06 s ASP 120 Ca 0.00 0.81 0.04 0.00 1.18 0.00 0.00 52.55 54.58 2k06 s ASP 120 Cb 0.00 -1.25 0.17 0.00 -0.34 0.00 0.00 42.92 41.49 2k06 s ASP 120 CO 0.00 -2.77 0.42 -0.54 0.68 0.00 0.00 175.17 172.96 2k06 s LYS 121 N -5.40 1.84 0.47 2.11 1.02 -1.26 -4.92 119.74 113.60 2k06 s LYS 121 Ca 0.66 -2.82 0.31 0.00 0.02 0.00 0.00 55.97 54.14 2k06 s LYS 121 Cb -0.12 -2.66 1.30 0.00 -0.52 0.00 0.00 37.83 35.83 2k06 s LYS 121 CO 0.53 -1.31 1.92 -1.00 -0.92 0.00 0.00 175.35 174.57 2k06 h PRO 122 N 5.59 0.00 -0.01 -1.68 0.13 -2.05 -3.57 132.00 130.41 2k06 h PRO 122 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2k06 h PRO 122 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2k06 h PRO 122 CO 0.58 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.89