#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 0.09 -0.56 7.83 4.64 -2.09 -1.70 113.55 121.76 2k06 h SER 2 Ca 0.00 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 2k06 h SER 2 Cb 0.00 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.04 2k06 h SER 2 CO 0.00 0.16 0.32 -0.33 -0.87 0.00 0.00 176.83 176.11 2k06 h GLU 3 N 0.10 0.80 -7.08 4.77 4.39 -2.13 -3.42 114.58 112.01 2k06 h GLU 3 Ca 0.02 -0.08 -0.48 0.00 0.34 0.00 0.00 59.36 59.17 2k06 h GLU 3 Cb 0.16 -0.16 0.04 0.00 -0.10 0.00 0.00 28.75 28.68 2k06 h GLU 3 CO 0.01 0.59 0.40 0.00 -1.16 0.00 0.00 179.01 178.84 2k06 s ALA 4 N -5.55 2.83 0.48 3.43 0.00 -0.64 -5.00 121.76 117.30 2k06 s ALA 4 Ca -0.10 0.67 -0.22 0.00 0.00 0.00 0.00 51.96 52.31 2k06 s ALA 4 Cb 0.17 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.94 2k06 s ALA 4 CO 0.77 -0.43 1.15 -1.25 0.00 0.00 0.00 175.76 176.00 2k06 s PRO 5 N -3.24 3.69 0.12 0.00 0.04 -1.26 -5.01 135.00 129.34 2k06 s PRO 5 Ca 0.69 1.71 -0.16 0.00 0.04 0.00 0.00 61.00 63.28 2k06 s PRO 5 Cb -0.18 -2.31 -0.07 0.00 0.04 0.00 0.00 34.50 31.98 2k06 s PRO 5 CO 0.22 -0.60 0.55 0.15 0.04 0.00 0.00 177.00 177.37 2k06 s LYS 6 N -2.84 4.04 -0.02 4.56 1.02 -1.26 -5.06 119.74 120.19 2k06 s LYS 6 Ca 0.65 0.56 -0.20 0.00 0.02 0.00 0.00 55.97 57.01 2k06 s LYS 6 Cb -0.27 -3.02 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 2k06 s LYS 6 CO 0.32 0.53 0.57 0.15 -0.92 0.00 0.00 175.35 176.00 2k06 s LYS 7 N -1.71 4.29 0.20 1.68 1.02 -1.26 -4.80 119.74 119.17 2k06 s LYS 7 Ca 0.35 0.68 0.08 0.00 0.02 0.00 0.00 55.97 57.10 2k06 s LYS 7 Cb -0.16 -3.35 -0.05 0.00 -0.52 0.00 0.00 37.83 33.76 2k06 s LYS 7 CO 0.19 0.36 -0.15 1.03 -0.92 0.00 0.00 175.35 175.86 2k06 s ARG 8 N -0.14 1.32 -0.27 1.68 0.52 -1.26 -4.96 118.95 115.84 2k06 s ARG 8 Ca 0.30 -1.55 -0.11 0.00 -0.52 0.00 0.00 55.73 53.85 2k06 s ARG 8 Cb -0.18 -1.18 -0.05 0.00 0.52 0.00 0.00 34.95 34.07 2k06 s ARG 8 CO 0.16 0.21 0.19 -1.58 0.02 0.00 0.00 175.30 174.30 2k06 s TRP 9 N -2.76 3.24 0.23 -0.53 0.52 -1.26 -1.81 118.94 116.57 2k06 s TRP 9 Ca 0.21 0.16 0.10 0.00 0.02 0.00 0.00 56.10 56.58 2k06 s TRP 9 Cb -0.02 -2.36 -0.04 0.00 -1.15 0.00 0.00 33.47 29.89 2k06 s TRP 9 CO 0.07 -0.11 -0.08 0.71 0.02 0.00 0.00 176.95 177.56 2k06 s TYR 10 N 1.62 2.60 -0.03 -1.98 2.02 -1.03 -2.46 117.35 118.09 2k06 s TYR 10 Ca 0.07 -0.24 -0.01 0.00 -0.37 0.00 0.00 57.07 56.53 2k06 s TYR 10 Cb -0.15 -1.20 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 2k06 s TYR 10 CO 0.10 0.59 0.04 0.08 -1.57 0.00 0.00 175.55 174.78 2k06 s VAL 11 N -2.08 4.48 -0.11 0.71 1.01 -1.26 -0.48 120.40 122.67 2k06 s VAL 11 Ca 0.28 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.90 2k06 s VAL 11 Cb -0.07 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.33 2k06 s VAL 11 CO 0.17 0.44 -0.22 -0.69 0.00 0.00 0.00 175.10 174.80 2k06 s VAL 12 N -1.07 1.95 0.21 2.92 1.01 0.34 -3.24 120.40 122.52 2k06 s VAL 12 Ca 0.19 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 2k06 s VAL 12 Cb -0.12 -1.71 -0.08 0.00 0.00 0.00 0.00 36.38 34.47 2k06 s VAL 12 CO 0.09 0.53 0.68 -1.58 0.00 0.00 0.00 175.10 174.82 2k06 s GLN 13 N 0.57 4.15 0.03 2.72 2.00 -0.53 -1.84 119.66 126.76 2k06 s GLN 13 Ca -0.14 0.74 -0.17 0.00 -2.00 0.00 0.00 55.36 53.79 2k06 s GLN 13 Cb -0.17 -2.84 0.03 0.00 0.80 0.00 0.00 33.01 30.83 2k06 s GLN 13 CO 0.04 0.39 0.38 0.00 -0.50 0.00 0.00 175.29 175.60 2k06 s ALA 14 N -1.56 -0.92 0.48 1.58 0.00 -0.95 -1.36 121.76 119.03 2k06 s ALA 14 Ca 0.43 0.28 -0.24 0.00 0.00 0.00 0.00 51.96 52.43 2k06 s ALA 14 Cb -0.15 0.29 -0.07 0.00 0.00 0.00 0.00 23.12 23.18 2k06 s ALA 14 CO 0.20 -0.41 1.34 1.19 0.00 0.00 0.00 175.76 178.08 2k06 n PHE 15 N 0.65 2.31 -1.87 0.00 3.72 -1.23 -4.08 117.46 116.97 2k06 n PHE 15 Ca -0.19 0.45 -0.40 0.00 -0.05 0.00 0.00 57.45 57.26 2k06 n PHE 15 Cb 0.59 -2.39 0.00 0.00 -0.94 0.00 0.00 39.48 36.74 2k06 n PHE 15 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2k06 s SER 16 N -0.68 6.26 0.00 4.37 0.15 -1.26 -1.85 113.70 120.69 2k06 s SER 16 Ca 0.66 2.93 0.00 0.00 0.70 0.00 0.00 55.95 60.23 2k06 s SER 16 Cb -0.45 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.20 2k06 s SER 16 CO 0.54 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.68 2k06 n GLY 17 N 0.56 2.67 0.95 9.45 0.00 -1.26 -4.69 105.19 112.87 2k06 n GLY 17 Ca 0.02 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 0.55 -0.28 1.61 3.72 -0.77 -4.49 117.46 117.80 2k06 n PHE 18 Ca 0.00 -0.37 -0.02 0.00 -0.05 0.00 0.00 57.45 57.01 2k06 n PHE 18 Cb 0.00 -0.01 0.10 0.00 -0.94 0.00 0.00 39.48 38.63 2k06 n PHE 18 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 2k06 h GLU 19 N 3.34 0.91 -0.26 -1.08 4.81 -1.76 0.06 114.58 120.60 2k06 h GLU 19 Ca 0.00 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.01 2k06 h GLU 19 Cb 0.84 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 2k06 h GLU 19 CO 0.00 0.60 -0.51 0.78 -0.73 0.00 0.00 179.01 179.15 2k06 h GLY 20 N 0.94 0.79 0.90 1.92 0.00 -1.91 -3.07 103.07 102.64 2k06 h GLY 20 Ca 0.31 -0.89 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 2k06 h GLY 20 CO -0.12 0.80 -0.03 -0.09 0.00 0.00 0.00 176.54 177.10 2k06 h ARG 21 N 0.57 -0.08 -0.96 4.80 2.43 -1.63 -2.11 114.38 117.41 2k06 h ARG 21 Ca 0.02 0.01 0.21 0.00 -0.81 0.00 0.00 59.98 59.41 2k06 h ARG 21 Cb 1.08 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 30.53 2k06 h ARG 21 CO 0.11 0.04 0.53 0.28 -1.51 0.00 0.00 179.97 179.42 2k06 h VAL 22 N -0.18 0.58 -0.61 0.20 2.07 -1.01 0.37 116.25 117.68 2k06 h VAL 22 Ca -0.01 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 2k06 h VAL 22 Cb 0.15 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.85 2k06 h VAL 22 CO 0.01 0.11 0.24 0.00 0.02 0.00 0.00 177.57 177.95 2k06 h ALA 23 N 1.68 0.79 -0.16 1.67 0.00 -1.33 0.38 119.26 122.30 2k06 h ALA 23 Ca 0.59 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 2k06 h ALA 23 Cb 1.04 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2k06 h ALA 23 CO -0.45 0.41 -0.04 1.15 0.00 0.00 0.00 179.25 180.32 2k06 h THR 24 N 0.85 1.29 -0.32 0.00 2.02 0.19 -2.67 112.91 114.28 2k06 h THR 24 Ca 0.20 -0.99 -0.06 0.00 0.77 0.00 0.00 66.41 66.34 2k06 h THR 24 Cb 0.21 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 2k06 h THR 24 CO -0.02 0.29 -0.06 0.28 0.37 0.00 0.00 175.52 176.39 2k06 h SER 25 N 0.00 0.48 0.26 4.18 0.02 -0.31 -2.97 113.55 115.22 2k06 h SER 25 Ca 0.04 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2k06 h SER 25 Cb 0.46 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2k06 h SER 25 CO 0.02 0.59 -0.19 0.25 -1.14 0.00 0.00 176.83 176.36 2k06 h LEU 26 N 0.48 -0.48 -0.85 5.07 6.46 -0.05 -2.32 115.31 123.63 2k06 h LEU 26 Ca 0.10 0.04 0.21 0.00 -0.12 0.00 0.00 57.88 58.11 2k06 h LEU 26 Cb 0.40 0.15 -0.14 0.00 -0.73 0.00 0.00 40.66 40.34 2k06 h LEU 26 CO 0.02 -0.29 0.12 -0.09 -0.62 0.00 0.00 178.44 177.57 2k06 h ARG 27 N -0.45 0.14 -0.26 1.25 9.65 -1.31 0.22 114.38 123.61 2k06 h ARG 27 Ca -0.02 -0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.91 2k06 h ARG 27 Cb 0.39 -0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.88 2k06 h ARG 27 CO 0.00 0.09 -0.12 0.93 2.80 0.00 0.00 179.97 183.67 2k06 h GLU 28 N 0.14 -0.08 -0.28 0.20 5.08 -1.42 0.16 114.58 118.38 2k06 h GLU 28 Ca 0.50 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.95 2k06 h GLU 28 Cb 0.98 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2k06 h GLU 28 CO -0.70 -0.05 0.22 0.45 -1.00 0.00 0.00 179.01 177.93 2k06 h HIS 29 N -0.08 0.00 0.21 4.33 3.86 -0.38 0.17 115.15 123.26 2k06 h HIS 29 Ca 0.14 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 2k06 h HIS 29 Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2k06 h HIS 29 CO -0.31 0.00 -0.10 0.82 0.86 0.00 0.00 177.93 179.20 2k06 h ILE 30 N 0.00 0.85 -0.36 2.45 1.08 0.02 0.58 117.51 122.13 2k06 h ILE 30 Ca 0.13 -0.83 -0.06 0.00 -0.39 0.00 0.00 64.86 63.72 2k06 h ILE 30 Cb 0.56 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.60 2k06 h ILE 30 CO -0.00 0.17 0.01 0.11 -0.69 0.00 0.00 178.15 177.75 2k06 h LYS 31 N -0.73 0.64 0.57 2.37 1.79 -0.75 0.85 116.57 121.31 2k06 h LYS 31 Ca -0.03 -0.20 -0.03 0.00 -2.18 0.00 0.00 60.65 58.22 2k06 h LYS 31 Cb 0.50 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.09 2k06 h LYS 31 CO 0.05 0.74 -0.27 -0.07 -1.08 0.00 0.00 179.45 178.81 2k06 h LEU 32 N 0.46 -0.64 -0.24 2.94 3.38 -0.73 -2.11 115.31 118.36 2k06 h LEU 32 Ca 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2k06 h LEU 32 Cb 0.45 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2k06 h LEU 32 CO 0.02 -0.41 0.00 1.41 0.09 0.00 0.00 178.44 179.54 2k06 n HIS 33 N -5.39 0.07 -4.01 1.13 8.25 0.19 -4.88 115.22 110.58 2k06 n HIS 33 Ca -0.12 -0.04 -0.29 0.00 -0.26 0.00 0.00 57.72 57.01 2k06 n HIS 33 Cb 0.32 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.42 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 -0.41 -1.84 -1.90 0.41 5.15 0.23 -4.82 115.26 112.08 2k06 n ASN 34 Ca 0.07 -0.97 0.05 0.00 -0.60 0.00 0.00 54.58 53.14 2k06 n ASN 34 Cb 0.08 -3.14 0.39 0.00 -0.53 0.00 0.00 39.78 36.58 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 -4.43 4.71 -0.26 1.20 2.81 0.21 -4.49 117.12 116.87 2k06 n MET 35 Ca -0.15 -3.10 0.13 0.00 -1.81 0.00 0.00 57.70 52.77 2k06 n MET 35 Cb 0.61 -2.26 0.40 0.00 -0.71 0.00 0.00 33.22 31.26 2k06 n MET 35 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2k06 h GLU 36 N 3.77 0.63 -0.53 0.03 5.08 -1.85 -0.15 114.58 121.56 2k06 h GLU 36 Ca 0.04 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2k06 h GLU 36 Cb 2.02 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 31.09 2k06 h GLU 36 CO 0.52 0.42 0.33 -0.44 -1.00 0.00 0.00 179.01 178.84 2k06 h ASP 37 N 0.65 0.55 0.44 1.42 3.32 -1.95 -3.07 116.42 117.79 2k06 h ASP 37 Ca 0.45 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.47 2k06 h ASP 37 Cb 0.77 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2k06 h ASP 37 CO -0.20 0.39 -0.21 -0.07 -1.72 0.00 0.00 179.24 177.42 2k06 h LEU 38 N 0.66 -0.50 -9.86 1.55 3.38 -1.41 -3.43 115.31 105.70 2k06 h LEU 38 Ca 0.21 -0.10 -0.51 0.00 0.09 0.00 0.00 57.88 57.57 2k06 h LEU 38 Cb -0.01 0.13 0.03 0.00 0.09 0.00 0.00 40.66 40.90 2k06 h LEU 38 CO -0.08 -0.13 0.51 -0.36 0.09 0.00 0.00 178.44 178.48 2k06 s PHE 39 N -4.57 3.35 0.13 1.13 0.40 -0.60 -3.39 117.98 114.42 2k06 s PHE 39 Ca -0.14 1.61 0.00 0.00 -0.60 0.00 0.00 56.93 57.80 2k06 s PHE 39 Cb 0.02 -3.38 0.00 0.00 0.51 0.00 0.00 43.02 40.16 2k06 s PHE 39 CO 0.48 -0.99 0.00 0.41 0.70 0.00 0.00 175.22 175.83 2k06 n GLY 40 N 0.95 -0.09 2.98 4.36 0.00 -0.84 -4.74 105.19 107.81 2k06 n GLY 40 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.80 0.32 0.15 1.61 2.02 -1.25 -4.99 118.70 114.75 2k06 s GLU 41 Ca 0.00 -0.59 0.10 0.00 0.02 0.00 0.00 54.97 54.50 2k06 s GLU 41 Cb 0.00 0.06 -0.04 0.00 0.10 0.00 0.00 34.13 34.25 2k06 s GLU 41 CO 0.00 -0.04 -0.19 0.08 0.02 0.00 0.00 175.26 175.13 2k06 s VAL 42 N -1.36 2.69 -0.06 2.63 1.01 -1.26 -0.18 120.40 123.88 2k06 s VAL 42 Ca -0.14 -1.71 0.05 0.00 0.00 0.00 0.00 61.98 60.18 2k06 s VAL 42 Cb -0.09 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 2k06 s VAL 42 CO -0.01 0.01 -0.20 -0.04 0.00 0.00 0.00 175.10 174.86 2k06 s MET 43 N -2.39 2.54 -0.42 2.72 1.00 0.26 -4.97 119.30 118.04 2k06 s MET 43 Ca 0.19 -0.81 0.04 0.00 0.00 0.00 0.00 55.69 55.12 2k06 s MET 43 Cb -0.09 -2.27 0.17 0.00 0.00 0.00 0.00 34.83 32.63 2k06 s MET 43 CO 0.10 0.49 0.41 0.08 0.00 0.00 0.00 175.02 176.10 2k06 s VAL 44 N -0.41 -0.04 -2.00 -6.03 1.01 -1.26 -3.67 120.40 107.99 2k06 s VAL 44 Ca 0.04 -2.00 0.16 0.00 0.00 0.00 0.00 61.98 60.18 2k06 s VAL 44 Cb -0.12 -0.91 0.45 0.00 0.00 0.00 0.00 36.38 35.81 2k06 s VAL 44 CO 0.02 -0.88 1.37 -0.81 0.00 0.00 0.00 175.10 174.79 2k06 n PRO 45 N 3.16 0.54 -4.63 2.72 -0.04 -1.26 -4.30 135.00 131.19 2k06 n PRO 45 Ca 0.23 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.45 2k06 n PRO 45 Cb 0.48 -1.47 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 2k06 n PRO 45 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2k06 s THR 46 N -2.00 1.51 -1.41 0.52 -1.32 -1.26 -4.76 115.64 106.92 2k06 s THR 46 Ca 0.24 -1.08 -0.01 0.00 -1.21 0.00 0.00 61.69 59.64 2k06 s THR 46 Cb 0.11 -1.31 0.00 0.00 -1.51 0.00 0.00 72.50 69.79 2k06 s THR 46 CO 0.18 0.21 0.39 -0.62 -2.21 0.00 0.00 174.62 172.57 2k06 n GLU 47 N 2.01 -3.04 -3.95 7.08 1.02 -1.26 -4.92 120.64 117.58 2k06 n GLU 47 Ca -0.17 0.38 -0.35 0.00 -0.02 0.00 0.00 57.16 57.00 2k06 n GLU 47 Cb 0.54 -4.43 -0.10 0.00 -0.02 0.00 0.00 31.44 27.43 2k06 n GLU 47 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2k06 s GLU 48 N -6.61 4.00 0.21 3.49 2.12 -1.26 -4.98 118.70 115.66 2k06 s GLU 48 Ca 0.01 -0.33 -0.08 0.00 0.36 0.00 0.00 54.97 54.94 2k06 s GLU 48 Cb -0.01 -3.26 0.15 0.00 0.26 0.00 0.00 34.13 31.28 2k06 s GLU 48 CO 0.90 0.26 1.77 0.28 -0.54 0.00 0.00 175.26 177.92 2k06 h VAL 49 N 4.87 1.26 -0.98 3.70 2.07 -1.92 -2.37 116.25 122.89 2k06 h VAL 49 Ca -0.37 -0.85 0.16 0.00 0.82 0.00 0.00 66.70 66.46 2k06 h VAL 49 Cb 1.17 0.33 -0.09 0.00 -1.52 0.00 0.00 31.29 31.18 2k06 h VAL 49 CO 0.71 0.35 0.61 0.58 0.02 0.00 0.00 177.57 179.83 2k06 h VAL 50 N 1.16 0.80 -4.19 2.57 2.07 -1.97 -3.40 116.25 113.29 2k06 h VAL 50 Ca 0.26 -0.27 -0.48 0.00 0.82 0.00 0.00 66.70 67.03 2k06 h VAL 50 Cb 0.24 -0.07 0.03 0.00 -1.52 0.00 0.00 31.29 29.97 2k06 h VAL 50 CO -0.02 0.15 0.38 -0.70 0.02 0.00 0.00 177.57 177.39 2k06 s GLU 51 N -5.82 3.74 -0.36 1.57 2.12 -0.89 -5.04 118.70 114.02 2k06 s GLU 51 Ca -0.11 1.06 0.00 0.00 0.36 0.00 0.00 54.97 56.28 2k06 s GLU 51 Cb 0.23 -2.10 0.12 0.00 0.26 0.00 0.00 34.13 32.64 2k06 s GLU 51 CO 0.80 -0.45 0.17 0.42 -0.54 0.00 0.00 175.26 175.66 2k06 s ILE 52 N -2.54 0.85 0.37 -3.70 1.01 -1.26 -4.87 121.20 111.06 2k06 s ILE 52 Ca 0.61 -1.81 -0.19 0.00 0.00 0.00 0.00 60.65 59.25 2k06 s ILE 52 Cb -0.12 -1.62 -0.10 0.00 0.01 0.00 0.00 42.46 40.62 2k06 s ILE 52 CO 0.32 -0.82 0.86 -0.60 0.00 0.00 0.00 174.94 174.70 2k06 s ARG 53 N 1.11 4.19 0.30 2.79 3.52 -1.26 -5.05 118.95 124.54 2k06 s ARG 53 Ca 0.14 0.96 -0.15 0.00 -0.13 0.00 0.00 55.73 56.55 2k06 s ARG 53 Cb -0.21 -2.38 0.06 0.00 -1.56 0.00 0.00 34.95 30.86 2k06 s ARG 53 CO -0.12 0.10 0.78 0.41 -0.81 0.00 0.00 175.30 175.65 2k06 n GLY 54 N -0.32 0.96 2.05 8.12 0.00 -1.26 -4.99 105.19 109.75 2k06 n GLY 54 Ca 0.05 -1.20 -0.06 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.53 0.51 3.77 -0.02 0.00 -1.26 -5.01 105.19 102.65 2k06 n GLY 55 Ca -0.06 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 2k06 n GLY 55 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k06 s GLN 56 N -5.20 4.64 0.29 1.61 0.74 -1.26 -5.06 119.66 115.42 2k06 s GLN 56 Ca 0.13 1.24 0.10 0.00 0.05 0.00 0.00 55.36 56.88 2k06 s GLN 56 Cb -0.06 -3.27 -0.05 0.00 1.10 0.00 0.00 33.01 30.73 2k06 s GLN 56 CO 0.16 0.55 -0.05 1.03 -0.55 0.00 0.00 175.29 176.43 2k06 s ARG 57 N -1.11 2.07 0.34 1.67 1.81 -1.26 -5.01 118.95 117.46 2k06 s ARG 57 Ca 0.37 -1.60 0.10 0.00 -1.72 0.00 0.00 55.73 52.88 2k06 s ARG 57 Cb -0.24 -1.99 0.85 0.00 -0.45 0.00 0.00 34.95 33.12 2k06 s ARG 57 CO 0.28 0.30 1.80 -0.09 -0.68 0.00 0.00 175.30 176.90 2k06 h ARG 58 N 1.97 0.64 -4.11 3.54 2.43 -2.08 -3.36 114.38 113.41 2k06 h ARG 58 Ca -0.43 -0.04 -0.54 0.00 -0.81 0.00 0.00 59.98 58.17 2k06 h ARG 58 Cb 1.25 -0.14 -0.38 0.00 -0.42 0.00 0.00 29.97 30.28 2k06 h ARG 58 CO 0.62 0.42 -0.79 0.21 -1.51 0.00 0.00 179.97 178.92 2k06 s LYS 59 N -5.72 1.36 0.07 0.20 2.20 -1.26 -5.12 119.74 111.47 2k06 s LYS 59 Ca -0.10 -0.39 -0.18 0.00 -0.36 0.00 0.00 55.97 54.94 2k06 s LYS 59 Cb 0.24 -1.82 0.04 0.00 -1.51 0.00 0.00 37.83 34.78 2k06 s LYS 59 CO 0.80 -0.39 0.41 0.45 -0.36 0.00 0.00 175.35 176.27 2k06 s SER 60 N 1.69 -0.28 -0.10 1.43 0.15 -1.26 -5.15 113.70 110.19 2k06 s SER 60 Ca 0.02 -0.10 -0.11 0.00 0.70 0.00 0.00 55.95 56.46 2k06 s SER 60 Cb -0.14 0.44 -0.05 0.00 -1.71 0.00 0.00 66.02 64.56 2k06 s SER 60 CO -0.08 -0.73 0.25 -1.61 1.20 0.00 0.00 173.24 172.27 2k06 s GLU 61 N -2.92 3.82 0.03 5.44 2.02 -1.26 -5.07 118.70 120.75 2k06 s GLU 61 Ca -0.02 0.07 0.03 0.00 0.02 0.00 0.00 54.97 55.07 2k06 s GLU 61 Cb 0.00 -3.27 -0.02 0.00 0.10 0.00 0.00 34.13 30.95 2k06 s GLU 61 CO -0.06 0.60 -0.09 1.03 0.02 0.00 0.00 175.26 176.76 2k06 s ARG 62 N -0.61 0.64 -0.06 1.61 0.52 -1.26 -5.12 118.95 114.68 2k06 s ARG 62 Ca 0.17 -0.59 -0.01 0.00 -0.52 0.00 0.00 55.73 54.78 2k06 s ARG 62 Cb -0.13 -0.55 0.03 0.00 0.52 0.00 0.00 34.95 34.82 2k06 s ARG 62 CO 0.06 0.13 0.01 0.21 0.02 0.00 0.00 175.30 175.74 2k06 s LYS 63 N -1.00 0.41 0.11 3.54 2.20 -1.26 -5.14 119.74 118.60 2k06 s LYS 63 Ca -0.03 0.16 0.04 0.00 -0.36 0.00 0.00 55.97 55.79 2k06 s LYS 63 Cb -0.07 -0.79 -0.04 0.00 -1.51 0.00 0.00 37.83 35.43 2k06 s LYS 63 CO 0.00 -0.28 -0.11 -0.06 -0.36 0.00 0.00 175.35 174.55 2k06 s PHE 64 N 1.85 1.18 -0.70 4.03 0.08 -1.26 -4.98 117.98 118.18 2k06 s PHE 64 Ca 0.02 -0.65 0.04 0.00 0.12 0.00 0.00 56.93 56.46 2k06 s PHE 64 Cb -0.12 -0.63 0.27 0.00 -0.57 0.00 0.00 43.02 41.97 2k06 s PHE 64 CO -0.04 0.05 0.91 1.97 -0.10 0.00 0.00 175.22 178.01 2k06 n PHE 65 N 0.41 3.49 -1.72 0.36 -1.74 -1.26 -5.07 117.46 111.93 2k06 n PHE 65 Ca -0.15 -3.87 -0.33 0.00 -0.56 0.00 0.00 57.45 52.55 2k06 n PHE 65 Cb 0.58 -0.66 0.05 0.00 1.52 0.00 0.00 39.48 40.96 2k06 n PHE 65 CO 0.00 0.00 0.00 -1.25 -0.56 0.00 0.00 176.76 174.95 2k06 s PRO 66 N -2.72 2.80 0.00 3.97 0.04 -1.26 -3.87 135.00 133.96 2k06 s PRO 66 Ca 0.40 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.76 2k06 s PRO 66 Cb 0.15 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2k06 s PRO 66 CO -0.01 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.20 2k06 n GLY 67 N -0.72 0.24 3.11 0.56 0.00 -1.26 -4.82 105.19 102.31 2k06 n GLY 67 Ca 0.10 0.00 -0.33 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 -2.00 2.92 0.01 1.61 1.51 -1.25 -2.23 117.35 117.91 2k06 s TYR 68 Ca 0.00 -1.81 0.04 0.00 -1.01 0.00 0.00 57.07 54.28 2k06 s TYR 68 Cb 0.00 -1.93 -0.01 0.00 -0.11 0.00 0.00 41.96 39.91 2k06 s TYR 68 CO 0.00 -0.82 -0.11 0.08 -1.11 0.00 0.00 175.55 173.59 2k06 s VAL 69 N 1.24 0.89 -0.14 0.71 1.01 -0.77 -4.90 120.40 118.44 2k06 s VAL 69 Ca 0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 2k06 s VAL 69 Cb -0.15 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 2k06 s VAL 69 CO -0.10 0.15 0.00 -0.76 0.00 0.00 0.00 175.10 174.39 2k06 s LEU 70 N -0.53 3.50 -0.05 3.92 1.02 -1.24 0.13 118.68 125.43 2k06 s LEU 70 Ca 0.03 0.01 -0.01 0.00 0.02 0.00 0.00 54.13 54.17 2k06 s LEU 70 Cb -0.05 -1.84 0.03 0.00 0.02 0.00 0.00 46.19 44.34 2k06 s LEU 70 CO 0.00 0.23 0.03 -0.69 0.02 0.00 0.00 176.35 175.94 2k06 s VAL 71 N -0.01 0.12 0.23 -1.59 1.01 0.37 0.90 120.40 121.43 2k06 s VAL 71 Ca 0.03 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 2k06 s VAL 71 Cb -0.13 -0.31 -0.09 0.00 0.00 0.00 0.00 36.38 35.85 2k06 s VAL 71 CO 0.02 0.20 1.19 -1.58 0.00 0.00 0.00 175.10 174.94 2k06 s GLN 72 N 1.90 4.51 0.00 2.72 0.74 0.75 -2.46 119.66 127.82 2k06 s GLN 72 Ca 0.02 1.92 0.00 0.00 0.05 0.00 0.00 55.36 57.35 2k06 s GLN 72 Cb -0.12 -3.20 0.00 0.00 1.10 0.00 0.00 33.01 30.79 2k06 s GLN 72 CO -0.04 -0.03 0.00 -0.12 -0.55 0.00 0.00 175.29 174.56 2k06 n MET 73 N 1.90 0.00 -3.06 1.67 1.56 -0.75 -1.99 117.12 116.45 2k06 n MET 73 Ca 0.02 0.00 -0.39 0.00 -0.27 0.00 0.00 57.70 57.06 2k06 n MET 73 Cb 0.44 0.00 -0.06 0.00 2.15 0.00 0.00 33.22 35.75 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 4.57 -0.34 1.12 0.11 -1.22 -4.06 120.40 118.58 2k06 s VAL 74 Ca 0.00 1.55 -0.21 0.00 -2.93 0.00 0.00 61.98 60.39 2k06 s VAL 74 Cb 0.00 -4.07 0.00 0.00 -1.53 0.00 0.00 36.38 30.78 2k06 s VAL 74 CO 0.00 0.48 0.66 -0.04 -3.33 0.00 0.00 175.10 172.88 2k06 s MET 75 N -0.81 3.75 0.22 1.54 -1.94 -1.26 -4.74 119.30 116.07 2k06 s MET 75 Ca 0.35 0.17 0.05 0.00 -1.71 0.00 0.00 55.69 54.54 2k06 s MET 75 Cb -0.21 -3.79 -0.02 0.00 2.01 0.00 0.00 34.83 32.82 2k06 s MET 75 CO 0.23 -0.71 0.20 0.27 -0.01 0.00 0.00 175.02 175.00 2k06 n ASN 76 N 6.07 -0.51 0.04 3.03 6.94 -1.26 -4.96 115.26 124.61 2k06 n ASN 76 Ca -0.00 -2.47 0.10 0.00 -0.02 0.00 0.00 54.58 52.19 2k06 n ASN 76 Cb 0.49 1.17 0.43 0.00 -2.36 0.00 0.00 39.78 39.50 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 -2.09 0.25 0.00 0.53 8.00 -1.26 -2.08 116.55 119.89 2k06 n ASP 77 Ca 0.05 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.10 2k06 n ASP 77 Cb 0.41 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 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 -1.60 0.00 -0.18 2.24 0.00 -1.26 -3.84 120.51 115.87 2k06 n ALA 78 Ca 0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 53.44 53.32 2k06 n ALA 78 Cb 0.25 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.21 -0.19 0.00 4.64 -1.87 -0.54 113.55 115.39 2k06 h SER 79 Ca 0.00 0.13 0.04 0.00 -0.47 0.00 0.00 61.79 61.49 2k06 h SER 79 Cb 0.00 0.23 -0.07 0.00 -0.31 0.00 0.00 62.40 62.25 2k06 h SER 79 CO 0.00 -0.08 -0.50 -0.25 -0.87 0.00 0.00 176.83 175.13 2k06 h TRP 80 N 0.14 -1.49 -0.28 4.77 7.01 -1.66 0.40 115.95 124.84 2k06 h TRP 80 Ca 0.29 0.06 0.06 0.00 2.11 0.00 0.00 58.89 61.42 2k06 h TRP 80 Cb 0.46 0.68 -0.01 0.00 -2.10 0.00 0.00 29.16 28.18 2k06 h TRP 80 CO -0.33 -0.52 0.20 1.12 -2.79 0.00 0.00 178.44 176.12 2k06 h HIS 81 N -0.52 0.10 -0.30 2.65 2.07 -1.46 -0.10 115.15 117.59 2k06 h HIS 81 Ca 0.06 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.46 2k06 h HIS 81 Cb 0.65 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 30.59 2k06 h HIS 81 CO -0.58 0.06 -0.31 1.25 -3.07 0.00 0.00 177.93 175.27 2k06 h LEU 82 N 0.10 0.65 -0.65 6.12 5.85 0.12 -2.44 115.31 125.07 2k06 h LEU 82 Ca 0.13 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2k06 h LEU 82 Cb 0.39 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2k06 h LEU 82 CO -0.01 0.93 0.33 0.58 -0.34 0.00 0.00 178.44 179.92 2k06 h VAL 83 N 0.54 1.21 -0.21 1.05 2.07 0.14 -2.09 116.25 118.97 2k06 h VAL 83 Ca 0.06 -0.58 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 2k06 h VAL 83 Cb 0.81 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2k06 h VAL 83 CO 0.07 0.24 -0.19 -0.09 0.02 0.00 0.00 177.57 177.62 2k06 h ARG 84 N 0.89 0.36 -0.30 1.57 9.65 -1.32 -2.31 114.38 122.92 2k06 h ARG 84 Ca 0.23 -0.11 0.00 0.00 -1.10 0.00 0.00 59.98 59.00 2k06 h ARG 84 Cb 0.08 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 2k06 h ARG 84 CO -0.03 0.54 0.19 0.77 2.80 0.00 0.00 179.97 184.24 2k06 h SER 85 N 0.33 0.34 -2.12 -3.80 0.02 -0.89 -3.42 113.55 104.01 2k06 h SER 85 Ca 0.06 -0.01 -0.60 0.00 -0.84 0.00 0.00 61.79 60.40 2k06 h SER 85 Cb 0.53 -0.09 0.03 0.00 0.14 0.00 0.00 62.40 63.02 2k06 h SER 85 CO 0.04 0.25 1.01 0.52 -1.14 0.00 0.00 176.83 177.50 2k06 n VAL 86 N -4.49 0.40 -1.67 2.27 0.31 -0.87 -4.93 118.33 109.34 2k06 n VAL 86 Ca 0.01 -0.07 -0.32 0.00 -0.01 0.00 0.00 64.34 63.95 2k06 n VAL 86 Cb 0.07 -1.78 0.05 0.00 -0.91 0.00 0.00 33.84 31.27 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 3.04 2.76 -1.38 5.55 0.04 -1.26 -3.61 135.00 140.14 2k06 s PRO 87 Ca 0.88 1.28 -0.04 0.00 0.04 0.00 0.00 61.00 63.16 2k06 s PRO 87 Cb -0.68 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 31.91 2k06 s PRO 87 CO 0.47 -1.26 0.55 0.54 0.04 0.00 0.00 177.00 177.34 2k06 n ARG 88 N -2.67 -4.41 -4.58 4.56 1.74 -1.26 -4.70 116.66 105.33 2k06 n ARG 88 Ca 0.10 0.81 -0.30 0.00 -0.77 0.00 0.00 57.85 57.68 2k06 n ARG 88 Cb 0.52 -5.45 -0.17 0.00 -1.02 0.00 0.00 32.46 26.35 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 -3.11 1.70 -0.01 1.55 0.11 -1.24 -3.55 120.40 115.85 2k06 s VAL 89 Ca 0.27 -0.77 -0.17 0.00 -2.93 0.00 0.00 61.98 58.39 2k06 s VAL 89 Cb -0.12 -1.52 -0.09 0.00 -1.53 0.00 0.00 36.38 33.11 2k06 s VAL 89 CO 0.34 0.48 0.81 0.24 -3.33 0.00 0.00 175.10 173.63 2k06 h MET 90 N 7.32 -0.58 0.00 1.54 2.86 -1.54 -3.48 114.93 121.05 2k06 h MET 90 Ca -0.31 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 2k06 h MET 90 Cb 1.18 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.98 2k06 h MET 90 CO 0.51 -0.39 0.00 0.41 1.06 0.00 0.00 176.91 178.50 2k06 n GLY 91 N -0.04 -0.65 3.96 8.32 0.00 -1.24 -5.00 105.19 110.54 2k06 n GLY 91 Ca -0.08 -0.54 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.84 3.29 0.14 1.61 0.08 -1.26 -1.45 117.98 116.55 2k06 s PHE 92 Ca 0.00 0.10 0.07 0.00 0.12 0.00 0.00 56.93 57.22 2k06 s PHE 92 Cb 0.00 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 2k06 s PHE 92 CO 0.00 -0.04 -0.02 0.42 -0.10 0.00 0.00 175.22 175.48 2k06 s ILE 93 N -2.32 3.69 0.00 0.64 -1.09 -1.20 -4.34 121.20 116.59 2k06 s ILE 93 Ca 0.43 -1.31 0.00 0.00 -2.23 0.00 0.00 60.65 57.54 2k06 s ILE 93 Cb -0.10 -2.81 0.00 0.00 -1.58 0.00 0.00 42.46 37.98 2k06 s ILE 93 CO 0.34 -0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 2k06 n GLY 94 N 0.20 1.41 0.36 6.18 0.00 -1.26 -3.50 105.19 108.57 2k06 n GLY 94 Ca -0.11 -0.52 0.06 0.00 0.00 0.00 0.00 46.02 45.45 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 1.12 0.00 -0.02 0.00 -1.86 -3.46 103.07 98.85 2k06 h GLY 95 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2k06 h GLY 95 CO 0.00 0.23 0.00 -1.30 0.00 0.00 0.00 176.54 175.47 2k06 n THR 96 N -4.49 0.00 -4.31 4.70 -2.24 -0.25 -4.60 114.28 103.08 2k06 n THR 96 Ca 0.13 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.52 2k06 n THR 96 Cb 0.25 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.43 2k06 n THR 96 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2k06 n SER 97 N -3.50 -2.89 -2.33 3.42 2.88 -1.26 0.15 113.62 110.08 2k06 n SER 97 Ca 0.00 -1.07 -0.15 0.00 -1.33 0.00 0.00 58.87 56.32 2k06 n SER 97 Cb 0.00 -2.40 0.04 0.00 -0.75 0.00 0.00 64.21 61.10 2k06 n SER 97 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2k06 n ASP 98 N -2.58 -4.73 -3.10 -3.46 8.00 -1.26 -4.98 116.55 104.44 2k06 n ASP 98 Ca 0.09 -0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.31 2k06 n ASP 98 Cb 0.48 -3.42 -0.01 0.00 -0.02 0.00 0.00 41.12 38.15 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 -5.64 0.80 0.21 -1.24 0.52 0.38 -5.14 118.95 108.85 2k06 s ARG 99 Ca 0.31 -0.36 -0.30 0.00 -0.52 0.00 0.00 55.73 54.86 2k06 s ARG 99 Cb -0.14 0.07 -0.09 0.00 0.52 0.00 0.00 34.95 35.31 2k06 s ARG 99 CO 0.39 -1.12 1.28 -1.25 0.02 0.00 0.00 175.30 174.62 2k06 s PRO 100 N 1.70 4.41 -0.04 3.54 0.04 -1.26 -1.09 135.00 142.30 2k06 s PRO 100 Ca 0.18 2.04 -0.06 0.00 0.04 0.00 0.00 61.00 63.20 2k06 s PRO 100 Cb -0.03 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 2k06 s PRO 100 CO -0.07 -0.20 0.20 0.00 0.04 0.00 0.00 177.00 176.96 2k06 s ALA 101 N -0.09 3.90 0.66 8.56 0.00 -1.23 -4.78 121.76 128.78 2k06 s ALA 101 Ca 0.55 -0.66 -0.15 0.00 0.00 0.00 0.00 51.96 51.71 2k06 s ALA 101 Cb -0.36 -1.98 -0.00 0.00 0.00 0.00 0.00 23.12 20.78 2k06 s ALA 101 CO 0.40 0.67 1.10 -1.25 0.00 0.00 0.00 175.76 176.68 2k06 s PRO 102 N -1.56 2.82 0.17 0.00 0.04 -1.26 -4.65 135.00 130.56 2k06 s PRO 102 Ca 0.23 1.34 0.08 0.00 0.04 0.00 0.00 61.00 62.69 2k06 s PRO 102 Cb -0.13 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 2k06 s PRO 102 CO 0.13 -1.22 -0.17 0.96 0.04 0.00 0.00 177.00 176.73 2k06 s ILE 103 N -2.42 1.79 0.55 0.56 -4.36 -1.03 -5.03 121.20 111.26 2k06 s ILE 103 Ca 0.66 -1.98 -0.19 0.00 -0.26 0.00 0.00 60.65 58.87 2k06 s ILE 103 Cb -0.19 -1.88 -0.06 0.00 1.25 0.00 0.00 42.46 41.58 2k06 s ILE 103 CO 0.42 -0.38 1.13 -0.44 0.24 0.00 0.00 174.94 175.91 2k06 s SER 104 N -2.81 5.70 0.21 4.36 0.01 -1.26 -4.48 113.70 115.44 2k06 s SER 104 Ca 0.17 2.17 -0.10 0.00 1.31 0.00 0.00 55.95 59.50 2k06 s SER 104 Cb -0.05 -2.58 0.18 0.00 0.21 0.00 0.00 66.02 63.78 2k06 s SER 104 CO 0.07 -1.23 1.88 0.44 0.41 0.00 0.00 173.24 174.81 2k06 h ASP 105 N 1.16 0.87 -0.79 2.44 3.32 -2.00 -2.00 116.42 119.42 2k06 h ASP 105 Ca -0.50 -0.02 0.11 0.00 0.02 0.00 0.00 57.03 56.64 2k06 h ASP 105 Cb 1.26 -0.21 -0.08 0.00 0.22 0.00 0.00 39.33 40.52 2k06 h ASP 105 CO 0.57 0.62 0.41 0.50 -1.72 0.00 0.00 179.24 179.62 2k06 h LYS 106 N 1.03 0.64 -0.68 3.56 3.64 -2.00 -0.60 116.57 122.16 2k06 h LYS 106 Ca 0.29 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.73 2k06 h LYS 106 Cb -0.09 -0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 31.51 2k06 h LYS 106 CO -0.07 0.42 0.30 0.93 -2.27 0.00 0.00 179.45 178.76 2k06 h GLU 107 N 0.66 0.49 -0.89 1.90 5.08 -1.73 0.95 114.58 121.04 2k06 h GLU 107 Ca 0.40 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.83 2k06 h GLU 107 Cb 0.46 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 2k06 h GLU 107 CO -0.30 0.32 0.57 0.28 -1.00 0.00 0.00 179.01 178.89 2k06 h VAL 108 N 0.50 0.96 -0.17 3.13 2.07 -1.03 0.13 116.25 121.84 2k06 h VAL 108 Ca 0.35 -0.30 -0.14 0.00 0.82 0.00 0.00 66.70 67.43 2k06 h VAL 108 Cb 0.42 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2k06 h VAL 108 CO -0.31 0.16 -0.49 0.44 0.02 0.00 0.00 177.57 177.39 2k06 h ASP 109 N 0.87 0.49 -0.42 0.57 3.32 -0.65 -2.94 116.42 117.65 2k06 h ASP 109 Ca 0.41 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 2k06 h ASP 109 Cb 0.43 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 2k06 h ASP 109 CO -0.18 0.90 0.07 0.00 -1.72 0.00 0.00 179.24 178.32 2k06 h ALA 110 N 1.11 1.19 -0.20 3.45 0.00 0.25 -2.73 119.26 122.32 2k06 h ALA 110 Ca 0.02 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2k06 h ALA 110 Cb 0.99 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 2k06 h ALA 110 CO 0.09 0.54 -0.40 0.82 0.00 0.00 0.00 179.25 180.30 2k06 h ILE 111 N 0.74 0.17 -0.16 0.00 1.08 -1.12 0.31 117.51 118.53 2k06 h ILE 111 Ca 0.16 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.63 2k06 h ILE 111 Cb 0.35 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 34.26 2k06 h ILE 111 CO 0.01 0.00 0.11 0.24 -0.69 0.00 0.00 178.15 177.82 2k06 h MET 112 N -0.43 0.20 -0.78 2.37 2.86 -1.61 -1.22 114.93 116.32 2k06 h MET 112 Ca 0.10 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 2k06 h MET 112 Cb 0.60 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 2k06 h MET 112 CO -0.43 0.13 0.41 -0.97 1.06 0.00 0.00 176.91 177.11 2k06 h ASN 113 N 0.20 0.97 -0.47 1.22 -1.24 -0.15 -2.44 115.58 113.68 2k06 h ASN 113 Ca 0.06 -0.09 0.05 0.00 0.71 0.00 0.00 56.30 57.03 2k06 h ASN 113 Cb 0.00 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 38.76 2k06 h ASN 113 CO -0.01 0.79 0.21 0.03 -1.29 0.00 0.00 177.43 177.16 2k06 h ARG 114 N 1.09 0.41 -0.99 6.67 3.08 0.11 -0.60 114.38 124.15 2k06 h ARG 114 Ca 0.27 -0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.42 2k06 h ARG 114 Cb 0.04 -0.09 -0.09 0.00 0.08 0.00 0.00 29.97 29.91 2k06 h ARG 114 CO -0.04 0.27 0.62 1.25 -1.07 0.00 0.00 179.97 181.00 2k06 h LEU 115 N 0.42 0.90 -0.02 3.04 5.85 -1.44 0.59 115.31 124.65 2k06 h LEU 115 Ca 0.21 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2k06 h LEU 115 Cb 0.15 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2k06 h LEU 115 CO -0.17 0.46 -0.01 0.00 -0.34 0.00 0.00 178.44 178.39 2k06 n GLN 116 N -4.64 0.59 -2.70 1.25 6.02 -0.45 -4.81 117.38 112.64 2k06 n GLN 116 Ca 0.19 -0.02 -0.37 0.00 -0.01 0.00 0.00 57.00 56.79 2k06 n GLN 116 Cb 0.37 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.07 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 -2.42 4.46 0.01 -1.09 0.74 0.21 -5.04 119.66 116.52 2k06 s GLN 117 Ca 0.34 1.40 -0.03 0.00 0.05 0.00 0.00 55.36 57.12 2k06 s GLN 117 Cb 0.21 -2.73 -0.04 0.00 1.10 0.00 0.00 33.01 31.54 2k06 s GLN 117 CO 0.44 0.15 0.20 0.08 -0.55 0.00 0.00 175.29 175.61 2k06 s VAL 118 N -1.62 5.41 0.62 1.34 1.01 -1.26 -4.94 120.40 120.95 2k06 s VAL 118 Ca 0.52 -0.15 0.25 0.00 0.00 0.00 0.00 61.98 62.60 2k06 s VAL 118 Cb -0.20 -3.56 0.33 0.00 0.00 0.00 0.00 36.38 32.94 2k06 s VAL 118 CO 0.26 0.29 1.65 1.23 0.00 0.00 0.00 175.10 178.53 2k06 h GLY 119 N 3.68 0.00 -3.68 4.51 0.00 -1.96 -3.40 103.07 102.22 2k06 h GLY 119 Ca -0.48 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.33 2k06 h GLY 119 CO 0.70 0.00 0.60 0.99 0.00 0.00 0.00 176.54 178.83 2k06 s ASP 120 N -4.36 6.67 -0.20 0.19 1.01 -1.26 -4.97 116.67 113.75 2k06 s ASP 120 Ca -0.03 2.61 -0.25 0.00 0.71 0.00 0.00 52.55 55.59 2k06 s ASP 120 Cb 0.12 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 2k06 s ASP 120 CO 0.41 -0.59 0.82 -0.75 0.21 0.00 0.00 175.17 175.27 2k06 s LYS 121 N -1.93 4.25 0.41 8.23 2.47 -1.26 -5.03 119.74 126.88 2k06 s LYS 121 Ca 0.51 0.96 -0.25 0.00 -1.56 0.00 0.00 55.97 55.64 2k06 s LYS 121 Cb -0.38 -3.60 -0.08 0.00 -1.46 0.00 0.00 37.83 32.31 2k06 s LYS 121 CO 0.49 -0.40 1.17 -1.25 0.16 0.00 0.00 175.35 175.52 2k06 s PRO 122 N 2.41 4.02 0.00 4.03 0.04 -1.26 -5.18 135.00 139.07 2k06 s PRO 122 Ca 0.36 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2k06 s PRO 122 Cb -0.16 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.74 2k06 s PRO 122 CO 0.10 -0.34 0.00 -2.13 0.04 0.00 0.00 177.00 174.67