#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 4.69 0.41 7.83 0.01 -1.26 -4.89 113.70 120.49 2k06 s SER 2 Ca 0.00 2.33 0.08 0.00 1.31 0.00 0.00 55.95 59.67 2k06 s SER 2 Cb 0.00 -2.59 0.86 0.00 0.21 0.00 0.00 66.02 64.51 2k06 s SER 2 CO 0.00 -1.93 2.03 -0.33 0.41 0.00 0.00 173.24 173.42 2k06 h GLU 3 N 0.20 0.44 -6.84 12.44 5.08 -2.10 -3.43 114.58 120.37 2k06 h GLU 3 Ca -0.49 -0.04 -0.57 0.00 -1.00 0.00 0.00 59.36 57.27 2k06 h GLU 3 Cb 1.29 -0.09 0.14 0.00 0.50 0.00 0.00 28.75 30.58 2k06 h GLU 3 CO 0.52 0.35 0.40 0.00 -1.00 0.00 0.00 179.01 179.28 2k06 n ALA 4 N -2.48 0.98 -1.77 3.43 0.00 -1.26 -4.93 120.51 114.47 2k06 n ALA 4 Ca 0.02 0.18 -0.37 0.00 0.00 0.00 0.00 53.44 53.28 2k06 n ALA 4 Cb 0.11 -2.23 -0.01 0.00 0.00 0.00 0.00 19.45 17.33 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 -2.41 3.65 -0.23 0.00 0.04 -1.26 -4.93 135.00 129.85 2k06 s PRO 5 Ca 0.66 1.74 0.03 0.00 0.04 0.00 0.00 61.00 63.47 2k06 s PRO 5 Cb -0.48 -2.31 0.38 0.00 0.04 0.00 0.00 34.50 32.13 2k06 s PRO 5 CO 0.54 -0.64 1.46 1.17 0.04 0.00 0.00 177.00 179.57 2k06 n LYS 6 N -0.69 1.88 -3.46 4.56 4.81 -1.26 -4.89 118.16 119.10 2k06 n LYS 6 Ca 0.08 -1.65 -0.38 0.00 -0.87 0.00 0.00 58.31 55.49 2k06 n LYS 6 Cb 0.49 -1.68 -0.06 0.00 0.02 0.00 0.00 35.03 33.79 2k06 n LYS 6 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2k06 s LYS 7 N -1.82 4.11 0.21 1.64 1.02 -1.26 -4.86 119.74 118.78 2k06 s LYS 7 Ca 0.31 0.35 0.10 0.00 0.02 0.00 0.00 55.97 56.76 2k06 s LYS 7 Cb 0.26 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 2k06 s LYS 7 CO 0.06 0.44 -0.16 1.03 -0.92 0.00 0.00 175.35 175.81 2k06 s ARG 8 N -0.24 1.82 -0.11 1.68 0.52 -1.26 -4.90 118.95 116.46 2k06 s ARG 8 Ca 0.23 -1.47 -0.22 0.00 -0.52 0.00 0.00 55.73 53.75 2k06 s ARG 8 Cb -0.15 -1.98 -0.03 0.00 0.52 0.00 0.00 34.95 33.31 2k06 s ARG 8 CO 0.10 0.39 0.66 -1.58 0.02 0.00 0.00 175.30 174.90 2k06 s TRP 9 N -1.91 3.51 0.28 -0.53 0.52 -1.26 -1.39 118.94 118.15 2k06 s TRP 9 Ca 0.25 1.12 0.11 0.00 0.02 0.00 0.00 56.10 57.60 2k06 s TRP 9 Cb -0.07 -2.78 -0.05 0.00 -1.15 0.00 0.00 33.47 29.41 2k06 s TRP 9 CO 0.14 0.02 -0.18 0.71 0.02 0.00 0.00 176.95 177.66 2k06 s TYR 10 N 1.12 2.20 0.23 -1.98 1.51 -1.12 -3.19 117.35 116.13 2k06 s TYR 10 Ca 0.34 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.98 2k06 s TYR 10 Cb -0.17 -1.00 -0.05 0.00 -0.11 0.00 0.00 41.96 40.63 2k06 s TYR 10 CO 0.15 0.64 0.45 0.08 -1.11 0.00 0.00 175.55 175.76 2k06 s VAL 11 N -2.61 5.14 -0.10 0.71 1.01 -1.26 -2.05 120.40 121.25 2k06 s VAL 11 Ca 0.29 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 2k06 s VAL 11 Cb -0.03 -3.73 0.04 0.00 0.00 0.00 0.00 36.38 32.66 2k06 s VAL 11 CO 0.14 -0.23 0.07 -0.69 0.00 0.00 0.00 175.10 174.38 2k06 s VAL 12 N -1.95 -0.04 0.42 2.92 1.01 0.56 -3.87 120.40 119.44 2k06 s VAL 12 Ca 0.40 0.15 -0.19 0.00 0.00 0.00 0.00 61.98 62.34 2k06 s VAL 12 Cb -0.11 -0.37 -0.10 0.00 0.00 0.00 0.00 36.38 35.80 2k06 s VAL 12 CO 0.29 0.00 0.92 -1.10 0.00 0.00 0.00 175.10 175.21 2k06 s GLN 13 N 2.13 4.16 0.12 2.72 -0.21 -0.28 -2.24 119.66 126.06 2k06 s GLN 13 Ca 0.04 1.02 -0.21 0.00 0.02 0.00 0.00 55.36 56.23 2k06 s GLN 13 Cb -0.14 -2.22 0.06 0.00 1.00 0.00 0.00 33.01 31.71 2k06 s GLN 13 CO -0.06 -0.02 0.53 0.00 -2.12 0.00 0.00 175.29 173.63 2k06 s ALA 14 N -2.19 -1.37 0.47 6.09 0.00 -1.06 -2.25 121.76 121.45 2k06 s ALA 14 Ca 0.60 0.41 -0.24 0.00 0.00 0.00 0.00 51.96 52.73 2k06 s ALA 14 Cb -0.09 0.69 -0.07 0.00 0.00 0.00 0.00 23.12 23.64 2k06 s ALA 14 CO 0.16 -0.66 1.36 -0.06 0.00 0.00 0.00 175.76 176.56 2k06 s PHE 15 N -3.37 2.52 0.50 0.00 0.08 -1.25 -4.35 117.98 112.12 2k06 s PHE 15 Ca -0.00 1.34 -0.22 0.00 0.12 0.00 0.00 56.93 58.17 2k06 s PHE 15 Cb -0.00 -3.79 -0.06 0.00 -0.57 0.00 0.00 43.02 38.59 2k06 s PHE 15 CO -0.09 -2.64 1.20 0.45 -0.10 0.00 0.00 175.22 174.03 2k06 s SER 16 N -0.74 5.85 0.00 1.36 0.15 -1.26 -2.67 113.70 116.39 2k06 s SER 16 Ca 0.63 2.37 0.00 0.00 0.70 0.00 0.00 55.95 59.65 2k06 s SER 16 Cb -0.40 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.30 2k06 s SER 16 CO 0.51 -1.14 0.00 0.61 1.20 0.00 0.00 173.24 174.42 2k06 n GLY 17 N 0.45 2.47 0.85 9.45 0.00 -1.26 -4.65 105.19 112.49 2k06 n GLY 17 Ca 0.09 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 0.64 -0.16 1.61 3.72 -1.09 -4.52 117.46 117.66 2k06 n PHE 18 Ca 0.00 -0.52 0.00 0.00 -0.05 0.00 0.00 57.45 56.88 2k06 n PHE 18 Cb 0.00 -0.04 0.26 0.00 -0.94 0.00 0.00 39.48 38.75 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 0.87 0.00 -1.08 4.11 -1.77 0.28 114.58 119.58 2k06 h GLU 19 Ca 0.00 -0.09 -0.00 0.00 0.07 0.00 0.00 59.36 59.34 2k06 h GLU 19 Cb 0.85 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2k06 h GLU 19 CO 0.02 0.64 -0.00 0.78 0.07 0.00 0.00 179.01 180.52 2k06 h GLY 20 N 0.94 -0.00 1.30 1.06 0.00 -1.91 -3.01 103.07 101.44 2k06 h GLY 20 Ca 0.23 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.50 2k06 h GLY 20 CO -0.04 -0.00 0.15 -0.09 0.00 0.00 0.00 176.54 176.56 2k06 h ARG 21 N -0.44 0.88 -0.90 4.80 2.43 -1.79 -2.42 114.38 116.94 2k06 h ARG 21 Ca -0.00 -0.18 0.15 0.00 -0.81 0.00 0.00 59.98 59.14 2k06 h ARG 21 Cb 0.44 -0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 29.76 2k06 h ARG 21 CO 0.00 0.79 0.50 0.28 -1.51 0.00 0.00 179.97 180.03 2k06 h VAL 22 N 0.85 0.74 -0.15 0.20 2.07 -0.38 -0.09 116.25 119.50 2k06 h VAL 22 Ca 0.19 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.48 2k06 h VAL 22 Cb 0.29 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2k06 h VAL 22 CO -0.00 0.13 0.06 0.00 0.02 0.00 0.00 177.57 177.78 2k06 h ALA 23 N 1.58 0.17 -0.38 1.67 0.00 -1.30 -1.94 119.26 119.05 2k06 h ALA 23 Ca 0.50 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.43 2k06 h ALA 23 Cb 0.70 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2k06 h ALA 23 CO -0.36 -0.38 0.24 1.15 0.00 0.00 0.00 179.25 179.90 2k06 h THR 24 N 0.14 1.06 -0.73 0.00 2.02 -1.10 -2.13 112.91 112.17 2k06 h THR 24 Ca 0.06 -0.16 0.14 0.00 0.77 0.00 0.00 66.41 67.22 2k06 h THR 24 Cb 0.02 0.54 -0.10 0.00 -1.74 0.00 0.00 68.15 66.87 2k06 h THR 24 CO -0.05 0.09 0.27 0.28 0.37 0.00 0.00 175.52 176.47 2k06 h SER 25 N 0.48 0.22 0.00 4.18 0.02 -0.67 -1.63 113.55 116.16 2k06 h SER 25 Ca 0.15 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2k06 h SER 25 Cb -0.02 0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 2k06 h SER 25 CO -0.06 0.08 -0.02 -0.07 -1.14 0.00 0.00 176.83 175.63 2k06 h LEU 26 N 0.40 -0.05 -0.96 5.07 3.38 -0.67 -1.11 115.31 121.37 2k06 h LEU 26 Ca 0.40 0.01 0.31 0.00 0.09 0.00 0.00 57.88 58.69 2k06 h LEU 26 Cb 0.61 0.02 -0.16 0.00 0.09 0.00 0.00 40.66 41.22 2k06 h LEU 26 CO -0.41 -0.02 0.34 -0.09 0.09 0.00 0.00 178.44 178.35 2k06 h ARG 27 N -0.02 0.13 -0.88 1.13 2.43 -1.38 1.35 114.38 117.14 2k06 h ARG 27 Ca -0.00 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.26 2k06 h ARG 27 Cb 0.02 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.48 2k06 h ARG 27 CO -0.01 0.09 0.57 1.49 -1.51 0.00 0.00 179.97 180.60 2k06 h GLU 28 N 0.14 0.82 0.00 0.20 4.81 -0.29 0.28 114.58 120.53 2k06 h GLU 28 Ca 0.68 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.71 2k06 h GLU 28 Cb 1.55 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.73 2k06 h GLU 28 CO -0.73 0.54 -0.72 0.45 -0.73 0.00 0.00 179.01 177.82 2k06 h HIS 29 N 0.84 0.00 -0.49 0.92 3.86 0.29 -2.98 115.15 117.59 2k06 h HIS 29 Ca 0.41 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.58 2k06 h HIS 29 Cb 0.45 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 2k06 h HIS 29 CO -0.00 0.72 0.15 0.82 0.86 0.00 0.00 177.93 180.49 2k06 h ILE 30 N 0.00 1.23 -0.22 2.45 1.08 0.95 0.29 117.51 123.29 2k06 h ILE 30 Ca -0.01 -0.76 -0.15 0.00 -0.39 0.00 0.00 64.86 63.55 2k06 h ILE 30 Cb 1.55 0.79 -0.01 0.00 -3.07 0.00 0.00 36.82 36.08 2k06 h ILE 30 CO 0.09 0.28 -0.48 0.11 -0.69 0.00 0.00 178.15 177.47 2k06 h LYS 31 N 0.67 0.59 0.28 2.37 1.57 -1.37 0.57 116.57 121.24 2k06 h LYS 31 Ca 0.16 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 2k06 h LYS 31 Cb 0.27 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2k06 h LYS 31 CO -0.01 0.94 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.61 2k06 h LEU 32 N 0.47 -0.31 -0.14 2.94 3.38 -1.33 -3.06 115.31 117.26 2k06 h LEU 32 Ca 0.03 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2k06 h LEU 32 Cb 1.01 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2k06 h LEU 32 CO 0.09 0.15 0.00 1.41 0.09 0.00 0.00 178.44 180.19 2k06 n HIS 33 N -5.05 0.03 -3.94 1.13 8.25 0.10 -4.88 115.22 110.86 2k06 n HIS 33 Ca -0.08 -0.01 -0.27 0.00 -0.26 0.00 0.00 57.72 57.09 2k06 n HIS 33 Cb 0.26 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.62 -1.76 -1.64 0.41 5.15 0.17 -4.83 115.26 112.13 2k06 n ASN 34 Ca 0.13 -0.93 0.09 0.00 -0.60 0.00 0.00 54.58 53.27 2k06 n ASN 34 Cb 0.09 -3.36 0.37 0.00 -0.53 0.00 0.00 39.78 36.35 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 -4.42 3.83 -0.14 1.20 2.81 0.63 -4.45 117.12 116.58 2k06 n MET 35 Ca -0.18 -2.93 0.23 0.00 -1.81 0.00 0.00 57.70 53.01 2k06 n MET 35 Cb 0.62 -1.93 0.66 0.00 -0.71 0.00 0.00 33.22 31.86 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 4.19 0.11 -0.75 0.03 5.08 -1.85 0.13 114.58 121.52 2k06 h GLU 36 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k06 h GLU 36 Cb 1.50 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.69 2k06 h GLU 36 CO 0.25 0.07 0.48 -0.44 -1.00 0.00 0.00 179.01 178.37 2k06 h ASP 37 N 0.11 0.88 0.12 1.42 3.32 -1.94 -3.12 116.42 117.22 2k06 h ASP 37 Ca 0.38 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.39 2k06 h ASP 37 Cb 1.34 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2k06 h ASP 37 CO -0.05 0.66 -0.06 -0.07 -1.72 0.00 0.00 179.24 178.00 2k06 h LEU 38 N 1.02 -0.14 -9.54 1.55 3.38 -1.12 -3.43 115.31 107.04 2k06 h LEU 38 Ca 0.27 -0.42 -0.53 0.00 0.09 0.00 0.00 57.88 57.30 2k06 h LEU 38 Cb -0.09 0.04 0.02 0.00 0.09 0.00 0.00 40.66 40.72 2k06 h LEU 38 CO -0.06 0.47 0.70 -0.36 0.09 0.00 0.00 178.44 179.27 2k06 s PHE 39 N -3.19 3.28 -0.00 1.13 0.40 -0.68 -3.73 117.98 115.19 2k06 s PHE 39 Ca -0.13 1.01 -0.04 0.00 -0.60 0.00 0.00 56.93 57.18 2k06 s PHE 39 Cb 0.00 -3.64 -0.01 0.00 0.51 0.00 0.00 43.02 39.88 2k06 s PHE 39 CO 0.48 -2.19 -0.08 0.41 0.70 0.00 0.00 175.22 174.55 2k06 n GLY 40 N 3.45 -0.18 2.96 4.36 0.00 -0.78 -4.73 105.19 110.26 2k06 n GLY 40 Ca 0.11 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 0.27 0.16 1.61 2.02 -1.26 -5.00 118.70 114.74 2k06 s GLU 41 Ca -0.06 -0.43 0.07 0.00 0.02 0.00 0.00 54.97 54.57 2k06 s GLU 41 Cb 0.01 -0.04 -0.04 0.00 0.10 0.00 0.00 34.13 34.16 2k06 s GLU 41 CO 0.10 -0.00 -0.02 0.08 0.02 0.00 0.00 175.26 175.43 2k06 s VAL 42 N -0.92 3.67 0.03 2.63 1.01 -1.26 -0.81 120.40 124.75 2k06 s VAL 42 Ca -0.09 -1.39 0.07 0.00 0.00 0.00 0.00 61.98 60.57 2k06 s VAL 42 Cb -0.07 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 2k06 s VAL 42 CO -0.00 -0.07 -0.22 -0.04 0.00 0.00 0.00 175.10 174.77 2k06 s MET 43 N -2.82 1.53 -0.33 2.72 -1.94 0.14 -4.98 119.30 113.63 2k06 s MET 43 Ca 0.27 -0.93 -0.02 0.00 -1.71 0.00 0.00 55.69 53.30 2k06 s MET 43 Cb -0.10 -1.62 0.12 0.00 2.01 0.00 0.00 34.83 35.25 2k06 s MET 43 CO 0.18 0.42 0.18 0.08 -0.01 0.00 0.00 175.02 175.87 2k06 s VAL 44 N -0.74 0.06 0.20 -6.03 1.01 -1.26 -3.67 120.40 109.97 2k06 s VAL 44 Ca 0.08 -1.33 0.25 0.00 0.00 0.00 0.00 61.98 60.98 2k06 s VAL 44 Cb -0.09 -1.07 0.25 0.00 0.00 0.00 0.00 36.38 35.47 2k06 s VAL 44 CO 0.01 -0.88 1.88 1.55 0.00 0.00 0.00 175.10 177.66 2k06 h PRO 45 N 7.58 0.00 -3.83 2.72 0.13 -1.99 -3.35 132.00 133.26 2k06 h PRO 45 Ca -0.05 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.58 2k06 h PRO 45 Cb 0.99 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.14 2k06 h PRO 45 CO 0.33 0.20 2.56 -2.37 -0.23 0.00 0.00 178.00 178.50 2k06 n THR 46 N -3.44 2.31 -0.23 1.56 5.66 -1.26 -4.58 114.28 114.32 2k06 n THR 46 Ca -0.00 -1.61 -0.02 0.00 -3.05 0.00 0.00 64.05 59.37 2k06 n THR 46 Cb 0.39 -2.24 0.17 0.00 -1.55 0.00 0.00 70.33 67.10 2k06 n THR 46 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2k06 h GLU 47 N 6.84 1.03 -6.30 1.09 5.08 -2.04 -3.42 114.58 116.85 2k06 h GLU 47 Ca 0.48 -0.13 -0.63 0.00 -1.00 0.00 0.00 59.36 58.09 2k06 h GLU 47 Cb 0.37 -0.20 -0.11 0.00 0.50 0.00 0.00 28.75 29.32 2k06 h GLU 47 CO 1.67 0.78 -0.64 -1.21 -1.00 0.00 0.00 179.01 178.61 2k06 s GLU 48 N -5.63 2.61 -0.05 2.33 2.02 -1.26 -5.12 118.70 113.60 2k06 s GLU 48 Ca -0.11 -0.88 0.05 0.00 0.02 0.00 0.00 54.97 54.05 2k06 s GLU 48 Cb 0.17 -2.54 -0.02 0.00 0.10 0.00 0.00 34.13 31.84 2k06 s GLU 48 CO 0.80 0.52 -0.22 0.08 0.02 0.00 0.00 175.26 176.46 2k06 s VAL 49 N -1.48 2.38 0.38 2.63 1.01 -1.26 -5.10 120.40 118.96 2k06 s VAL 49 Ca 0.27 -0.96 -0.28 0.00 0.00 0.00 0.00 61.98 61.02 2k06 s VAL 49 Cb -0.11 -1.89 -0.11 0.00 0.00 0.00 0.00 36.38 34.28 2k06 s VAL 49 CO 0.20 0.57 1.46 0.68 0.00 0.00 0.00 175.10 178.01 2k06 s VAL 50 N -0.35 2.15 0.06 2.92 -7.23 -1.26 -4.98 120.40 111.70 2k06 s VAL 50 Ca 0.02 0.15 -0.08 0.00 -1.81 0.00 0.00 61.98 60.26 2k06 s VAL 50 Cb -0.12 -3.09 -0.05 0.00 0.56 0.00 0.00 36.38 33.67 2k06 s VAL 50 CO 0.02 0.03 0.35 -0.70 -0.31 0.00 0.00 175.10 174.50 2k06 s GLU 51 N -2.09 3.69 0.42 4.82 2.12 -1.26 -4.96 118.70 121.45 2k06 s GLU 51 Ca 0.53 0.07 0.30 0.00 0.36 0.00 0.00 54.97 56.23 2k06 s GLU 51 Cb -0.45 -3.02 1.37 0.00 0.26 0.00 0.00 34.13 32.30 2k06 s GLU 51 CO 0.61 0.58 1.89 -0.84 -0.54 0.00 0.00 175.26 176.97 2k06 h ILE 52 N 2.86 0.00 -3.59 -3.70 3.07 -2.07 -3.44 117.51 110.63 2k06 h ILE 52 Ca -0.49 -0.22 -0.05 0.00 1.55 0.00 0.00 64.86 65.65 2k06 h ILE 52 Cb 1.19 1.02 -0.09 0.00 -0.27 0.00 0.00 36.82 38.68 2k06 h ILE 52 CO 0.67 0.00 -0.09 0.00 -1.05 0.00 0.00 178.15 177.67 2k06 s ARG 53 N -3.60 1.54 0.00 0.16 1.70 -1.26 -5.14 118.95 112.35 2k06 s ARG 53 Ca 0.00 -1.21 0.00 0.00 -0.47 0.00 0.00 55.73 54.06 2k06 s ARG 53 Cb 0.09 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 34.95 2k06 s ARG 53 CO 0.40 -0.64 0.00 0.41 -1.08 0.00 0.00 175.30 174.38 2k06 n GLY 54 N -0.38 0.40 0.00 3.88 0.00 -1.26 -5.12 105.19 102.71 2k06 n GLY 54 Ca -0.02 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 0.43 -1.20 3.31 -0.02 0.00 -1.26 -5.02 105.19 101.43 2k06 n GLY 55 Ca 0.00 -1.40 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 2k06 n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k06 s GLN 56 N -4.50 1.40 0.32 1.61 -0.21 -1.26 -5.02 119.66 112.00 2k06 s GLN 56 Ca 0.00 -1.12 0.03 0.00 0.02 0.00 0.00 55.36 54.29 2k06 s GLN 56 Cb 0.00 -1.64 0.62 0.00 1.00 0.00 0.00 33.01 32.99 2k06 s GLN 56 CO 0.00 0.40 1.91 -0.09 -2.12 0.00 0.00 175.29 175.39 2k06 h ARG 57 N 4.44 0.89 -0.37 2.91 2.43 -2.00 0.35 114.38 123.03 2k06 h ARG 57 Ca -0.46 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 58.70 2k06 h ARG 57 Cb 1.16 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 2k06 h ARG 57 CO 0.42 0.59 0.25 0.00 -1.51 0.00 0.00 179.97 179.72 2k06 h ARG 58 N 0.92 0.33 -6.61 0.20 3.08 -2.05 -3.41 114.38 106.83 2k06 h ARG 58 Ca 0.39 -0.02 -0.53 0.00 0.07 0.00 0.00 59.98 59.90 2k06 h ARG 58 Cb 0.32 -0.07 0.04 0.00 0.08 0.00 0.00 29.97 30.34 2k06 h ARG 58 CO -0.16 0.22 0.82 0.21 -1.07 0.00 0.00 179.97 179.99 2k06 s LYS 59 N -5.33 4.25 0.70 0.04 2.47 0.11 -4.96 119.74 117.02 2k06 s LYS 59 Ca -0.07 2.27 -0.15 0.00 -1.56 0.00 0.00 55.97 56.46 2k06 s LYS 59 Cb 0.18 -3.17 0.02 0.00 -1.46 0.00 0.00 37.83 33.40 2k06 s LYS 59 CO 0.72 -0.53 1.17 -1.12 0.16 0.00 0.00 175.35 175.76 2k06 s SER 60 N 0.99 4.56 0.21 1.43 0.01 -1.26 -4.87 113.70 114.77 2k06 s SER 60 Ca 0.67 2.23 0.11 0.00 1.31 0.00 0.00 55.95 60.27 2k06 s SER 60 Cb -0.42 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.19 2k06 s SER 60 CO 0.33 -2.01 -0.23 -1.61 0.41 0.00 0.00 173.24 170.13 2k06 s GLU 61 N -3.94 1.53 0.09 12.44 0.41 -1.26 -5.09 118.70 122.87 2k06 s GLU 61 Ca 0.72 -1.56 0.09 0.00 -0.41 0.00 0.00 54.97 53.81 2k06 s GLU 61 Cb -0.26 -1.79 -0.04 0.00 -1.78 0.00 0.00 34.13 30.26 2k06 s GLU 61 CO 0.43 0.38 -0.23 1.03 -0.49 0.00 0.00 175.26 176.37 2k06 s ARG 62 N -2.82 1.71 -0.05 1.61 0.52 -1.26 -4.70 118.95 113.96 2k06 s ARG 62 Ca 0.22 -1.18 -0.29 0.00 -0.52 0.00 0.00 55.73 53.96 2k06 s ARG 62 Cb -0.07 -2.02 -0.02 0.00 0.52 0.00 0.00 34.95 33.36 2k06 s ARG 62 CO 0.10 0.49 0.96 0.21 0.02 0.00 0.00 175.30 177.08 2k06 s LYS 63 N -1.72 4.49 0.17 3.54 2.20 -1.26 -5.04 119.74 122.12 2k06 s LYS 63 Ca 0.14 1.34 0.09 0.00 -0.36 0.00 0.00 55.97 57.19 2k06 s LYS 63 Cb -0.10 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 2k06 s LYS 63 CO 0.05 -0.14 -0.19 -0.06 -0.36 0.00 0.00 175.35 174.65 2k06 s PHE 64 N 1.36 1.91 -0.74 4.03 0.08 -1.26 -4.91 117.98 118.46 2k06 s PHE 64 Ca 0.49 -0.44 0.03 0.00 0.12 0.00 0.00 56.93 57.13 2k06 s PHE 64 Cb -0.20 -0.95 0.18 0.00 -0.57 0.00 0.00 43.02 41.48 2k06 s PHE 64 CO 0.23 0.36 0.55 -0.59 -0.10 0.00 0.00 175.22 175.67 2k06 s PHE 65 N -1.95 3.64 0.55 0.36 -0.71 -1.26 -5.08 117.98 113.53 2k06 s PHE 65 Ca 0.16 -3.26 -0.19 0.00 -1.04 0.00 0.00 56.93 52.61 2k06 s PHE 65 Cb -0.06 -2.85 -0.06 0.00 -1.21 0.00 0.00 43.02 38.84 2k06 s PHE 65 CO 0.07 -0.60 1.11 -1.25 -1.34 0.00 0.00 175.22 173.21 2k06 s PRO 66 N -1.37 3.36 0.00 1.99 0.04 -1.26 -3.66 135.00 134.10 2k06 s PRO 66 Ca 0.25 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.84 2k06 s PRO 66 Cb -0.06 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2k06 s PRO 66 CO -0.15 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 176.47 2k06 n GLY 67 N 0.02 0.74 3.22 0.56 0.00 -1.26 -4.83 105.19 103.63 2k06 n GLY 67 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.27 2.91 -0.01 1.61 1.51 -1.24 -2.55 117.35 117.31 2k06 s TYR 68 Ca 0.00 -1.30 0.02 0.00 -1.01 0.00 0.00 57.07 54.79 2k06 s TYR 68 Cb 0.00 -2.03 -0.00 0.00 -0.11 0.00 0.00 41.96 39.82 2k06 s TYR 68 CO 0.00 -0.67 -0.08 0.08 -1.11 0.00 0.00 175.55 173.77 2k06 s VAL 69 N 1.39 0.68 -0.15 0.71 1.01 -0.95 -4.72 120.40 118.37 2k06 s VAL 69 Ca 0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 2k06 s VAL 69 Cb -0.14 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 2k06 s VAL 69 CO -0.07 0.20 -0.02 -0.76 0.00 0.00 0.00 175.10 174.45 2k06 s LEU 70 N -0.04 3.35 -0.05 3.92 1.02 -1.24 -0.32 118.68 125.31 2k06 s LEU 70 Ca 0.01 -0.08 -0.02 0.00 0.02 0.00 0.00 54.13 54.07 2k06 s LEU 70 Cb -0.05 -1.81 0.03 0.00 0.02 0.00 0.00 46.19 44.38 2k06 s LEU 70 CO -0.00 0.19 0.04 -0.69 0.02 0.00 0.00 176.35 175.91 2k06 s VAL 71 N 0.23 0.06 0.23 -1.59 1.01 -0.87 0.28 120.40 119.75 2k06 s VAL 71 Ca -0.01 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 2k06 s VAL 71 Cb -0.14 -0.28 -0.09 0.00 0.00 0.00 0.00 36.38 35.87 2k06 s VAL 71 CO 0.02 0.20 1.31 -1.58 0.00 0.00 0.00 175.10 175.06 2k06 s GLN 72 N 2.04 4.39 0.00 2.72 0.74 0.01 -2.80 119.66 126.76 2k06 s GLN 72 Ca 0.04 2.08 0.00 0.00 0.05 0.00 0.00 55.36 57.53 2k06 s GLN 72 Cb -0.12 -3.17 0.00 0.00 1.10 0.00 0.00 33.01 30.82 2k06 s GLN 72 CO -0.04 -0.23 0.00 -0.12 -0.55 0.00 0.00 175.29 174.35 2k06 n MET 73 N 2.27 0.00 -3.21 1.67 1.56 -0.49 -1.87 117.12 117.04 2k06 n MET 73 Ca 0.05 0.00 -0.39 0.00 -0.27 0.00 0.00 57.70 57.09 2k06 n MET 73 Cb 0.43 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.74 2k06 n MET 73 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2k06 s VAL 74 N -2.00 4.92 -0.30 1.12 0.11 -1.24 -4.10 120.40 118.90 2k06 s VAL 74 Ca 0.00 1.24 -0.29 0.00 -2.93 0.00 0.00 61.98 59.99 2k06 s VAL 74 Cb 0.00 -3.93 0.01 0.00 -1.53 0.00 0.00 36.38 30.94 2k06 s VAL 74 CO 0.00 0.42 1.10 -0.04 -3.33 0.00 0.00 175.10 173.25 2k06 s MET 75 N -0.18 4.09 0.23 1.54 -1.94 -1.26 -4.77 119.30 117.00 2k06 s MET 75 Ca 0.31 1.16 -0.04 0.00 -1.71 0.00 0.00 55.69 55.41 2k06 s MET 75 Cb -0.18 -3.74 -0.03 0.00 2.01 0.00 0.00 34.83 32.89 2k06 s MET 75 CO 0.17 -0.88 0.25 0.54 -0.01 0.00 0.00 175.02 175.09 2k06 s ASN 76 N 1.72 0.23 0.43 3.03 4.22 -1.26 -4.94 114.94 118.37 2k06 s ASN 76 Ca 0.47 -1.30 0.09 0.00 -2.14 0.00 0.00 52.86 49.98 2k06 s ASN 76 Cb -0.13 0.46 0.94 0.00 1.28 0.00 0.00 41.25 43.80 2k06 s ASN 76 CO 0.15 -0.95 2.07 0.44 -2.04 0.00 0.00 177.10 176.76 2k06 h ASP 77 N 2.47 0.38 0.00 3.54 3.32 -1.97 0.41 116.42 124.57 2k06 h ASP 77 Ca -0.32 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2k06 h ASP 77 Cb 1.25 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2k06 h ASP 77 CO 0.47 0.27 0.00 0.00 -1.72 0.00 0.00 179.24 178.26 2k06 n ALA 78 N -2.49 -0.18 -0.05 3.45 0.00 -1.26 -2.35 120.51 117.63 2k06 n ALA 78 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.39 2k06 n ALA 78 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.52 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 -0.55 -0.85 0.00 0.02 -1.87 0.38 113.55 110.68 2k06 h SER 79 Ca 0.00 0.12 0.21 0.00 -0.84 0.00 0.00 61.79 61.28 2k06 h SER 79 Cb 0.00 0.28 -0.15 0.00 0.14 0.00 0.00 62.40 62.67 2k06 h SER 79 CO 0.00 -0.21 0.06 -0.25 -1.14 0.00 0.00 176.83 175.29 2k06 h TRP 80 N -0.16 0.04 -0.22 3.45 7.01 -0.31 0.60 115.95 126.36 2k06 h TRP 80 Ca 0.14 0.06 -0.15 0.00 2.11 0.00 0.00 58.89 61.05 2k06 h TRP 80 Cb 0.37 0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 2k06 h TRP 80 CO -0.34 -0.28 -0.48 0.45 -2.79 0.00 0.00 178.44 175.00 2k06 h HIS 81 N 0.10 0.72 -0.67 2.65 3.86 -0.78 -3.06 115.15 117.97 2k06 h HIS 81 Ca 0.49 -0.23 0.11 0.00 -1.16 0.00 0.00 60.37 59.58 2k06 h HIS 81 Cb 0.94 -0.15 -0.08 0.00 1.06 0.00 0.00 27.41 29.19 2k06 h HIS 81 CO -0.41 0.95 0.27 1.25 0.86 0.00 0.00 177.93 180.85 2k06 h LEU 82 N 0.47 0.28 -1.64 2.43 5.85 0.22 0.17 115.31 123.10 2k06 h LEU 82 Ca 0.03 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2k06 h LEU 82 Cb 1.01 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 2k06 h LEU 82 CO 0.09 0.15 -0.00 0.58 -0.34 0.00 0.00 178.44 178.92 2k06 h VAL 83 N 0.46 1.11 -0.10 1.05 2.07 -1.21 -0.92 116.25 118.70 2k06 h VAL 83 Ca 0.34 -0.41 -0.14 0.00 0.82 0.00 0.00 66.70 67.32 2k06 h VAL 83 Cb 0.44 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2k06 h VAL 83 CO -0.33 0.14 -0.54 0.03 0.02 0.00 0.00 177.57 176.89 2k06 h ARG 84 N 0.22 0.29 0.00 1.57 3.08 -0.68 -2.76 114.38 116.10 2k06 h ARG 84 Ca 0.05 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 2k06 h ARG 84 Cb 0.16 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 2k06 h ARG 84 CO 0.00 0.76 -0.02 0.66 -1.07 0.00 0.00 179.97 180.30 2k06 h SER 85 N 0.22 0.00 -2.85 7.04 4.64 -0.27 -3.45 113.55 118.89 2k06 h SER 85 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2k06 h SER 85 Cb 1.02 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.13 2k06 h SER 85 CO 0.09 0.02 0.86 -0.69 -0.87 0.00 0.00 176.83 176.24 2k06 s VAL 86 N -3.21 3.20 0.61 0.95 1.01 -0.45 -4.97 120.40 117.53 2k06 s VAL 86 Ca 0.07 0.75 -0.17 0.00 0.00 0.00 0.00 61.98 62.63 2k06 s VAL 86 Cb 0.05 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.93 2k06 s VAL 86 CO 0.67 0.03 1.11 -2.16 0.00 0.00 0.00 175.10 174.75 2k06 s PRO 87 N 1.89 3.06 -1.05 2.72 0.04 -1.26 -3.82 135.00 136.58 2k06 s PRO 87 Ca 0.68 1.46 -0.02 0.00 0.04 0.00 0.00 61.00 63.16 2k06 s PRO 87 Cb -0.38 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.19 2k06 s PRO 87 CO 0.30 -1.05 0.89 0.54 0.04 0.00 0.00 177.00 177.72 2k06 n ARG 88 N -1.95 -5.92 -4.21 4.56 1.74 -1.26 -4.90 116.66 104.73 2k06 n ARG 88 Ca 0.11 0.71 -0.27 0.00 -0.77 0.00 0.00 57.85 57.63 2k06 n ARG 88 Cb 0.52 -5.35 -0.17 0.00 -1.02 0.00 0.00 32.46 26.44 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 -3.30 1.27 -0.12 1.55 1.01 -1.25 -3.75 120.40 115.82 2k06 s VAL 89 Ca 0.13 -0.48 -0.27 0.00 0.00 0.00 0.00 61.98 61.36 2k06 s VAL 89 Cb -0.06 -1.21 -0.23 0.00 0.00 0.00 0.00 36.38 34.88 2k06 s VAL 89 CO 0.62 0.40 0.81 0.24 0.00 0.00 0.00 175.10 177.17 2k06 h MET 90 N 7.71 -0.01 0.00 2.72 2.86 -1.76 -3.48 114.93 122.98 2k06 h MET 90 Ca -0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 2k06 h MET 90 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 2k06 h MET 90 CO 0.46 0.84 0.00 0.41 1.06 0.00 0.00 176.91 179.68 2k06 n GLY 91 N 1.37 -0.58 3.74 8.32 0.00 -1.25 -5.00 105.19 111.79 2k06 n GLY 91 Ca -0.09 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.00 2.88 -0.08 1.61 0.08 -1.26 -1.13 117.98 117.09 2k06 s PHE 92 Ca 0.00 -0.19 0.04 0.00 0.12 0.00 0.00 56.93 56.90 2k06 s PHE 92 Cb 0.00 -1.33 -0.01 0.00 -0.57 0.00 0.00 43.02 41.10 2k06 s PHE 92 CO 0.00 0.54 -0.20 0.42 -0.10 0.00 0.00 175.22 175.88 2k06 s ILE 93 N -2.25 2.48 -0.66 0.64 1.01 -1.25 -4.80 121.20 116.38 2k06 s ILE 93 Ca 0.33 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2k06 s ILE 93 Cb -0.07 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.45 2k06 s ILE 93 CO 0.22 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.34 2k06 n GLY 94 N 3.05 -0.71 0.07 6.18 0.00 -1.26 -4.24 105.19 108.28 2k06 n GLY 94 Ca -0.18 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.07 -0.83 -0.02 0.00 -1.90 -3.45 103.07 96.80 2k06 h GLY 95 Ca 0.00 0.03 -0.61 0.00 0.00 0.00 0.00 47.33 46.74 2k06 h GLY 95 CO 0.00 -0.02 -0.50 -0.51 0.00 0.00 0.00 176.54 175.50 2k06 s THR 96 N -4.72 0.72 -0.42 4.70 -4.23 -1.25 -5.02 115.64 105.41 2k06 s THR 96 Ca -0.15 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.44 2k06 s THR 96 Cb 0.03 -2.23 0.57 0.00 1.34 0.00 0.00 72.50 72.21 2k06 s THR 96 CO 0.65 0.00 1.47 -1.54 -0.54 0.00 0.00 174.62 174.66 2k06 n SER 97 N -1.37 4.22 0.00 3.99 3.41 -1.26 -3.80 113.62 118.81 2k06 n SER 97 Ca -0.11 -2.80 0.00 0.00 -0.26 0.00 0.00 58.87 55.70 2k06 n SER 97 Cb 0.65 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 0.16 0.25 -3.05 4.04 8.00 -1.26 -4.75 116.55 119.95 2k06 n ASP 98 Ca 0.26 -1.10 0.04 0.00 0.71 0.00 0.00 54.79 54.70 2k06 n ASP 98 Cb 1.04 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.14 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 -0.10 0.31 -0.16 -1.24 3.00 -1.25 -5.13 118.95 114.39 2k06 s ARG 99 Ca 0.00 0.09 -0.29 0.00 0.00 0.00 0.00 55.73 55.53 2k06 s ARG 99 Cb 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 34.95 35.00 2k06 s ARG 99 CO 0.00 -0.51 1.64 -1.25 0.00 0.00 0.00 175.30 175.18 2k06 s PRO 100 N 2.50 3.93 0.54 3.54 0.04 -1.26 -3.85 135.00 140.44 2k06 s PRO 100 Ca 0.20 1.87 -0.20 0.00 0.04 0.00 0.00 61.00 62.90 2k06 s PRO 100 Cb -0.02 -4.02 -0.05 0.00 0.04 0.00 0.00 34.50 30.45 2k06 s PRO 100 CO -0.19 -1.14 1.21 0.00 0.04 0.00 0.00 177.00 176.92 2k06 s ALA 101 N 4.83 2.72 0.62 8.56 0.00 -1.26 -4.90 121.76 132.33 2k06 s ALA 101 Ca 0.73 1.02 -0.17 0.00 0.00 0.00 0.00 51.96 53.54 2k06 s ALA 101 Cb -0.28 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 2k06 s ALA 101 CO 0.29 -1.01 1.12 -1.25 0.00 0.00 0.00 175.76 174.91 2k06 s PRO 102 N -3.10 2.98 0.20 0.00 0.04 -1.26 -4.85 135.00 129.02 2k06 s PRO 102 Ca 0.72 1.49 0.08 0.00 0.04 0.00 0.00 61.00 63.33 2k06 s PRO 102 Cb -0.31 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 2k06 s PRO 102 CO 0.35 -1.13 -0.14 0.96 0.04 0.00 0.00 177.00 177.08 2k06 s ILE 103 N -2.12 1.73 0.55 0.56 -4.36 -1.19 -5.04 121.20 111.33 2k06 s ILE 103 Ca 0.69 -2.21 -0.17 0.00 -0.26 0.00 0.00 60.65 58.70 2k06 s ILE 103 Cb -0.22 -2.05 -0.06 0.00 1.25 0.00 0.00 42.46 41.39 2k06 s ILE 103 CO 0.36 -0.60 1.05 -0.44 0.24 0.00 0.00 174.94 175.55 2k06 s SER 104 N -3.32 6.04 0.39 4.36 0.01 -1.26 -4.34 113.70 115.58 2k06 s SER 104 Ca 0.22 1.84 0.07 0.00 1.31 0.00 0.00 55.95 59.40 2k06 s SER 104 Cb -0.01 -2.54 0.79 0.00 0.21 0.00 0.00 66.02 64.47 2k06 s SER 104 CO 0.07 -0.99 1.97 0.44 0.41 0.00 0.00 173.24 175.14 2k06 h ASP 105 N 0.86 0.38 -0.48 2.44 3.32 -2.00 -1.78 116.42 119.16 2k06 h ASP 105 Ca -0.48 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.51 2k06 h ASP 105 Cb 1.22 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 2k06 h ASP 105 CO 0.58 0.40 0.25 0.50 -1.72 0.00 0.00 179.24 179.25 2k06 h LYS 106 N 0.41 0.72 -0.75 3.56 3.64 -2.00 -1.96 116.57 120.19 2k06 h LYS 106 Ca 0.10 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2k06 h LYS 106 Cb 0.18 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 2k06 h LYS 106 CO -0.00 0.56 0.29 1.49 -2.27 0.00 0.00 179.45 179.52 2k06 h GLU 107 N 0.72 1.12 -0.42 1.90 4.57 -1.69 -1.51 114.58 119.26 2k06 h GLU 107 Ca 0.18 -0.21 -0.08 0.00 -1.18 0.00 0.00 59.36 58.07 2k06 h GLU 107 Cb 0.07 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.47 2k06 h GLU 107 CO -0.02 0.92 -0.07 0.28 -1.18 0.00 0.00 179.01 178.93 2k06 h VAL 108 N 1.08 1.25 -0.05 0.32 2.07 -1.31 -2.34 116.25 117.26 2k06 h VAL 108 Ca 0.25 -1.08 -0.09 0.00 0.82 0.00 0.00 66.70 66.60 2k06 h VAL 108 Cb 0.22 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2k06 h VAL 108 CO -0.02 0.37 -0.40 0.44 0.02 0.00 0.00 177.57 177.98 2k06 h ASP 109 N 0.67 0.12 -0.52 0.57 3.32 -0.88 -2.86 116.42 116.83 2k06 h ASP 109 Ca 0.12 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 2k06 h ASP 109 Cb 0.52 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 2k06 h ASP 109 CO 0.03 0.51 -0.15 0.00 -1.72 0.00 0.00 179.24 177.92 2k06 h ALA 110 N 1.49 0.72 -0.11 3.45 0.00 -0.76 -2.32 119.26 121.73 2k06 h ALA 110 Ca 0.01 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.59 2k06 h ALA 110 Cb 0.76 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2k06 h ALA 110 CO 0.06 0.67 -0.12 0.82 0.00 0.00 0.00 179.25 180.67 2k06 h ILE 111 N 0.89 0.66 -0.56 0.00 2.04 -1.25 -0.93 117.51 118.37 2k06 h ILE 111 Ca 0.13 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.99 2k06 h ILE 111 Cb 0.72 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 2k06 h ILE 111 CO 0.06 0.00 0.33 0.24 0.00 0.00 0.00 178.15 178.77 2k06 h MET 112 N -0.15 0.75 -0.28 2.37 2.86 -1.50 -1.07 114.93 117.91 2k06 h MET 112 Ca 0.08 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 2k06 h MET 112 Cb 0.28 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 2k06 h MET 112 CO -0.21 0.53 0.19 -0.91 1.06 0.00 0.00 176.91 177.58 2k06 h ASN 113 N 0.76 0.19 -0.70 1.22 -0.26 -0.61 -1.59 115.58 114.60 2k06 h ASN 113 Ca 0.20 -0.00 0.03 0.00 -0.56 0.00 0.00 56.30 55.97 2k06 h ASN 113 Cb -0.02 -0.04 -0.04 0.00 -1.06 0.00 0.00 38.32 37.15 2k06 h ASN 113 CO -0.04 0.13 0.43 0.03 -1.06 0.00 0.00 177.43 176.93 2k06 h ARG 114 N 0.22 0.82 -0.79 0.81 3.08 -0.58 -1.78 114.38 116.16 2k06 h ARG 114 Ca 0.12 -0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.20 2k06 h ARG 114 Cb 0.20 -0.19 -0.07 0.00 0.08 0.00 0.00 29.97 30.00 2k06 h ARG 114 CO -0.02 0.54 0.46 -0.07 -1.07 0.00 0.00 179.97 179.81 2k06 h LEU 115 N 0.85 0.68 -1.49 3.04 3.38 -1.35 0.37 115.31 120.78 2k06 h LEU 115 Ca 0.28 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.23 2k06 h LEU 115 Cb 0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2k06 h LEU 115 CO -0.11 0.41 -0.26 1.56 0.09 0.00 0.00 178.44 180.13 2k06 h GLN 116 N 0.81 0.00 -6.70 1.13 4.20 -1.35 -3.42 115.11 109.77 2k06 h GLN 116 Ca 0.37 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.56 2k06 h GLN 116 Cb 0.27 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.08 2k06 h GLN 116 CO -0.21 0.26 0.59 -1.14 -0.67 0.00 0.00 178.83 177.66 2k06 s GLN 117 N -4.27 4.45 0.09 1.46 0.74 0.12 -5.03 119.66 117.22 2k06 s GLN 117 Ca -0.03 1.97 0.06 0.00 0.05 0.00 0.00 55.36 57.41 2k06 s GLN 117 Cb 0.14 -3.20 -0.03 0.00 1.10 0.00 0.00 33.01 31.02 2k06 s GLN 117 CO 0.68 -0.13 -0.15 0.08 -0.55 0.00 0.00 175.29 175.22 2k06 s VAL 118 N -0.20 1.22 0.60 1.34 1.01 -1.26 -4.84 120.40 118.27 2k06 s VAL 118 Ca 0.53 -1.46 0.29 0.00 0.00 0.00 0.00 61.98 61.35 2k06 s VAL 118 Cb -0.35 -1.26 0.36 0.00 0.00 0.00 0.00 36.38 35.14 2k06 s VAL 118 CO 0.39 -0.28 2.09 1.23 0.00 0.00 0.00 175.10 178.53 2k06 h GLY 119 N 4.02 0.00 -3.55 4.51 0.00 -1.96 -3.40 103.07 102.69 2k06 h GLY 119 Ca -0.41 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.25 2k06 h GLY 119 CO 0.44 0.00 -0.83 0.99 0.00 0.00 0.00 176.54 177.14 2k06 s ASP 120 N -5.65 3.53 -0.63 0.19 1.01 -1.26 -5.08 116.67 108.79 2k06 s ASP 120 Ca -0.05 -0.77 0.06 0.00 0.71 0.00 0.00 52.55 52.50 2k06 s ASP 120 Cb 0.15 -0.32 0.22 0.00 1.01 0.00 0.00 42.92 43.97 2k06 s ASP 120 CO 0.53 0.14 0.61 1.17 0.21 0.00 0.00 175.17 177.83 2k06 n LYS 121 N 0.51 1.97 0.22 8.23 3.00 -1.26 -4.89 118.16 125.93 2k06 n LYS 121 Ca -0.14 -4.38 0.15 0.00 -0.00 0.00 0.00 58.31 53.94 2k06 n LYS 121 Cb 0.55 -2.13 0.62 0.00 0.00 0.00 0.00 35.03 34.06 2k06 n LYS 121 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2k06 h PRO 122 N 4.68 0.00 -0.00 1.64 0.13 -1.98 -3.54 132.00 132.94 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 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2k06 h PRO 122 CO 0.73 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.04