#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qex s SER 2 N 0.00 5.91 0.24 8.00 1.04 -1.26 -4.99 113.70 122.63 2qex s SER 2 Ca 0.00 0.56 -0.06 0.00 0.48 0.00 0.00 55.95 56.94 2qex s SER 2 Cb 0.00 -1.79 0.35 0.00 0.10 0.00 0.00 66.02 64.68 2qex s SER 2 CO 0.00 -0.73 1.81 0.50 0.98 0.00 0.00 173.24 175.80 2qex h LYS 3 N 0.24 0.73 0.01 4.02 3.64 -2.08 -2.36 116.57 120.77 2qex h LYS 3 Ca -0.46 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 58.90 2qex h LYS 3 Cb 1.24 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 2qex h LYS 3 CO 0.60 0.48 -0.17 -0.22 -2.27 0.00 0.00 179.45 177.87 2qex h LYS 4 N 0.75 -0.28 0.00 1.90 3.64 -2.03 -2.12 116.57 118.44 2qex h LYS 4 Ca 0.37 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 2qex h LYS 4 Cb 0.32 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2qex h LYS 4 CO -0.23 -0.18 0.00 1.17 -2.27 0.00 0.00 179.45 177.93 2qex n LYS 5 N -5.30 0.03 -0.09 1.90 3.00 -0.90 -1.65 118.16 115.15 2qex n LYS 5 Ca -0.05 0.53 0.10 0.00 -0.00 0.00 0.00 58.31 58.89 2qex n LYS 5 Cb 0.22 -1.61 0.14 0.00 0.00 0.00 0.00 35.03 33.78 2qex n LYS 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2qex n ARG 6 N -1.68 2.09 0.20 1.64 1.74 -0.80 -4.58 116.66 115.28 2qex n ARG 6 Ca -0.00 -1.94 0.09 0.00 -0.77 0.00 0.00 57.85 55.23 2qex n ARG 6 Cb 0.01 -1.42 0.30 0.00 -1.02 0.00 0.00 32.46 30.33 2qex n ARG 6 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2qex h GLN 7 N 3.92 0.00 -6.02 5.56 1.08 -1.35 -3.45 115.11 114.85 2qex h GLN 7 Ca 0.00 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.62 2qex h GLN 7 Cb 0.87 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.29 2qex h GLN 7 CO 0.00 0.24 1.45 1.03 -0.95 0.00 0.00 178.83 180.61 2qex s ARG 8 N -3.37 3.08 0.00 1.46 1.81 -1.26 -1.56 118.95 119.11 2qex s ARG 8 Ca 0.03 1.82 0.00 0.00 -1.72 0.00 0.00 55.73 55.85 2qex s ARG 8 Cb 0.08 -4.35 0.00 0.00 -0.45 0.00 0.00 34.95 30.23 2qex s ARG 8 CO 0.67 -2.16 0.00 0.41 -0.68 0.00 0.00 175.30 173.54 2qex n GLY 9 N 5.71 1.20 0.13 -3.53 0.00 -1.26 -4.97 105.19 102.47 2qex n GLY 9 Ca 0.29 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.43 2qex n GLY 9 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qex h SER 10 N 0.00 0.00 0.00 1.61 4.64 -1.59 -3.48 113.55 114.73 2qex h SER 10 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2qex h SER 10 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qex h SER 10 CO 0.00 0.02 0.00 -1.14 -0.87 0.00 0.00 176.83 174.84 2qex n ARG 11 N -2.57 0.00 0.00 4.77 0.63 -1.26 -4.23 116.66 114.00 2qex n ARG 11 Ca 0.04 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.08 2qex n ARG 11 Cb 0.48 0.00 0.12 0.00 0.45 0.00 0.00 32.46 33.51 2qex n ARG 11 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2qex n THR 12 N 0.00 0.00 -4.10 5.15 -2.24 -1.26 -4.98 114.28 106.84 2qex n THR 12 Ca 0.00 -0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 61.29 2qex n THR 12 Cb 0.00 0.86 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 2qex n THR 12 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2qex n HIS 13 N -0.59 -1.94 -0.98 4.78 8.25 -1.26 -1.47 115.22 122.00 2qex n HIS 13 Ca 0.09 0.84 0.00 0.00 -0.26 0.00 0.00 57.72 58.39 2qex n HIS 13 Cb 0.40 -3.35 0.00 0.00 1.12 0.00 0.00 29.99 28.16 2qex n HIS 13 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qex n GLY 14 N -1.52 0.70 0.29 -1.41 0.00 -1.26 -4.93 105.19 97.06 2qex n GLY 14 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 2qex n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qex n GLY 15 N -2.59 -0.47 5.73 -0.02 0.00 -0.54 -5.05 105.19 102.26 2qex n GLY 15 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2qex n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qex n GLY 16 N 1.22 0.18 3.63 -0.02 0.00 -1.26 -4.77 105.19 104.17 2qex n GLY 16 Ca 0.17 -1.13 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 2qex n GLY 16 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qex n SER 17 N 2.40 1.38 0.00 1.61 2.88 -1.26 -4.82 113.62 115.81 2qex n SER 17 Ca 0.00 0.99 0.08 0.00 -1.33 0.00 0.00 58.87 58.61 2qex n SER 17 Cb 0.00 -1.39 0.49 0.00 -0.75 0.00 0.00 64.21 62.56 2qex n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qex n HIS 18 N -0.76 0.00 0.81 0.66 -0.00 -1.26 -1.96 115.22 112.71 2qex n HIS 18 Ca 0.10 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.92 2qex n HIS 18 Cb 0.41 0.00 0.29 0.00 -0.00 0.00 0.00 29.99 30.69 2qex n HIS 18 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2qex n LYS 19 N -1.00 2.05 0.00 -1.40 5.02 -1.26 -4.61 118.16 116.96 2qex n LYS 19 Ca 0.12 -1.59 0.00 0.00 -2.02 0.00 0.00 58.31 54.83 2qex n LYS 19 Cb 0.06 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 2qex n LYS 19 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qex n ASN 20 N 0.80 0.00 -4.17 4.39 3.02 -0.83 -4.73 115.26 113.75 2qex n ASN 20 Ca 0.17 0.26 -0.29 0.00 -0.03 0.00 0.00 54.58 54.69 2qex n ASN 20 Cb 0.43 -0.34 -0.10 0.00 -0.61 0.00 0.00 39.78 39.16 2qex n ASN 20 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2qex n ARG 21 N -1.70 0.58 0.00 3.52 1.74 -1.26 -4.71 116.66 114.83 2qex n ARG 21 Ca 0.00 -1.71 0.00 0.00 -0.77 0.00 0.00 57.85 55.37 2qex n ARG 21 Cb 0.00 -3.39 0.00 0.00 -1.02 0.00 0.00 32.46 28.05 2qex n ARG 21 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2qex n ARG 22 N 7.98 0.00 0.00 5.56 1.74 -1.26 -5.15 116.66 125.53 2qex n ARG 22 Ca 0.45 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 2qex n ARG 22 Cb 0.45 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 2qex n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qex n GLY 23 N 5.00 2.31 0.05 -0.13 0.00 -1.26 -4.95 105.19 106.21 2qex n GLY 23 Ca 0.00 -1.98 0.03 0.00 0.00 0.00 0.00 46.02 44.08 2qex n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qex n ALA 24 N -3.00 1.00 0.07 4.61 0.00 -1.26 -2.02 120.51 119.91 2qex n ALA 24 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.49 2qex n ALA 24 Cb 0.00 -1.08 0.26 0.00 0.00 0.00 0.00 19.45 18.63 2qex n ALA 24 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2qex h GLY 25 N 0.00 0.36 2.00 0.00 0.00 -1.92 0.35 103.07 103.86 2qex h GLY 25 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2qex h GLY 25 CO 0.00 0.26 0.00 1.57 0.00 0.00 0.00 176.54 178.37 2qex n HIS 26 N -4.14 0.02 0.46 5.60 -0.00 -0.86 -2.25 115.22 114.06 2qex n HIS 26 Ca -0.01 0.01 0.05 0.00 -0.00 0.00 0.00 57.72 57.77 2qex n HIS 26 Cb 0.38 -0.51 -0.04 0.00 -0.00 0.00 0.00 29.99 29.82 2qex n HIS 26 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2qex n ARG 27 N -1.52 3.33 -1.55 1.57 1.74 -0.68 -4.99 116.66 114.55 2qex n ARG 27 Ca 0.04 -0.15 -0.00 0.00 -0.77 0.00 0.00 57.85 56.96 2qex n ARG 27 Cb 0.20 -1.00 -0.00 0.00 -1.02 0.00 0.00 32.46 30.64 2qex n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qex n GLY 28 N 1.15 0.38 0.00 -0.13 0.00 -0.49 -4.88 105.19 101.22 2qex n GLY 28 Ca 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2qex n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qex n GLY 29 N -1.89 3.14 3.70 -0.02 0.00 -0.01 -4.67 105.19 105.44 2qex n GLY 29 Ca -0.00 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 2qex n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qex s ARG 30 N -3.36 4.34 7.59 1.61 6.06 -1.26 -4.63 118.95 129.30 2qex s ARG 30 Ca 0.00 1.92 0.00 0.00 -2.50 0.00 0.00 55.73 55.15 2qex s ARG 30 Cb 0.00 -3.42 0.00 0.00 0.06 0.00 0.00 34.95 31.59 2qex s ARG 30 CO 0.00 -0.44 0.00 0.41 -2.50 0.00 0.00 175.30 172.77 2qex n GLY 31 N 3.47 3.54 0.90 8.12 0.00 -1.26 -2.73 105.19 117.22 2qex n GLY 31 Ca 0.11 0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.32 2qex n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qex n ASP 32 N 9.55 2.60 -4.59 1.61 8.00 -1.26 -4.99 116.55 127.47 2qex n ASP 32 Ca 0.00 -2.07 -0.50 0.00 0.71 0.00 0.00 54.79 52.93 2qex n ASP 32 Cb 0.00 -0.34 -0.05 0.00 -0.02 0.00 0.00 41.12 40.71 2qex n ASP 32 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qex n ALA 33 N 0.77 -0.78 -1.05 2.24 0.00 -1.11 -2.15 120.51 118.43 2qex n ALA 33 Ca 0.15 0.49 -0.00 0.00 0.00 0.00 0.00 53.44 54.08 2qex n ALA 33 Cb 0.44 -2.06 -0.00 0.00 0.00 0.00 0.00 19.45 17.82 2qex n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qex n GLY 34 N 2.30 0.39 0.00 0.00 0.00 -1.26 -4.79 105.19 101.83 2qex n GLY 34 Ca 0.17 -1.08 0.01 0.00 0.00 0.00 0.00 46.02 45.12 2qex n GLY 34 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qex n ARG 35 N -2.90 0.05 0.00 1.61 -4.01 -0.91 -1.60 116.66 108.90 2qex n ARG 35 Ca -0.00 0.16 0.00 0.00 -1.04 0.00 0.00 57.85 56.97 2qex n ARG 35 Cb 0.03 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 27.95 2qex n ARG 35 CO 0.00 0.00 0.00 -0.40 -3.04 0.00 0.00 177.63 174.19 2qex n ASP 36 N -1.18 0.21 0.00 2.89 5.75 -1.26 -4.12 116.55 118.84 2qex n ASP 36 Ca 0.01 -0.67 0.00 0.00 -0.01 0.00 0.00 54.79 54.12 2qex n ASP 36 Cb 0.02 0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 2qex n ASP 36 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qex n LYS 37 N -0.14 0.00 0.18 0.11 4.76 -0.66 -4.73 118.16 117.68 2qex n LYS 37 Ca 0.00 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.58 2qex n LYS 37 Cb 0.10 0.00 0.55 0.00 -1.84 0.00 0.00 35.03 33.84 2qex n LYS 37 CO 0.00 0.00 0.00 1.12 -1.37 0.00 0.00 177.40 177.15 2qex h HIS 38 N 0.00 0.00 -0.14 2.13 2.07 -1.94 -3.22 115.15 114.05 2qex h HIS 38 Ca 0.00 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.38 2qex h HIS 38 Cb 0.00 0.00 -0.19 0.00 2.57 0.00 0.00 27.41 29.79 2qex h HIS 38 CO 0.00 0.00 -0.72 0.39 -3.07 0.00 0.00 177.93 174.53 2qex n GLU 39 N -2.51 1.51 0.26 5.12 1.02 -0.63 -4.85 120.64 120.57 2qex n GLU 39 Ca 0.02 -3.13 0.14 0.00 -0.02 0.00 0.00 57.16 54.17 2qex n GLU 39 Cb 0.26 -1.32 0.70 0.00 -0.02 0.00 0.00 31.44 31.06 2qex n GLU 39 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2qex h PHE 40 N 1.29 0.00 -2.82 -0.32 -5.15 -1.57 -3.42 116.94 104.95 2qex h PHE 40 Ca -0.01 0.00 -0.58 0.00 -0.20 0.00 0.00 57.97 57.18 2qex h PHE 40 Cb 1.32 0.00 0.09 0.00 0.22 0.00 0.00 35.95 37.59 2qex h PHE 40 CO 0.61 0.11 0.51 0.72 -2.00 0.00 0.00 178.31 178.26 2qex n HIS 41 N -3.39 2.06 -3.83 6.09 -0.00 -1.26 -3.16 115.22 111.74 2qex n HIS 41 Ca -0.01 0.51 -0.24 0.00 -0.00 0.00 0.00 57.72 57.99 2qex n HIS 41 Cb 0.28 -2.41 0.01 0.00 -0.00 0.00 0.00 29.99 27.87 2qex n HIS 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2qex n ASN 42 N 1.60 -0.92 -3.99 0.41 5.03 -1.26 -5.00 115.26 111.13 2qex n ASN 42 Ca 0.09 -0.92 -0.18 0.00 0.87 0.00 0.00 54.58 54.44 2qex n ASN 42 Cb 0.33 -3.52 -0.15 0.00 -1.02 0.00 0.00 39.78 35.42 2qex n ASN 42 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2qex s HIS 43 N -3.81 0.71 0.18 3.10 3.76 -1.19 -5.12 115.29 112.92 2qex s HIS 43 Ca 0.02 -0.14 -0.30 0.00 -0.15 0.00 0.00 55.06 54.49 2qex s HIS 43 Cb -0.01 -0.48 -0.09 0.00 1.11 0.00 0.00 32.58 33.12 2qex s HIS 43 CO 0.85 -0.03 1.34 -1.21 -0.85 0.00 0.00 174.74 174.84 2qex s GLU 44 N -0.07 4.36 0.64 1.40 2.02 -1.26 -4.95 118.70 120.84 2qex s GLU 44 Ca 0.01 2.07 -0.17 0.00 0.02 0.00 0.00 54.97 56.90 2qex s GLU 44 Cb -0.04 -3.21 -0.06 0.00 0.10 0.00 0.00 34.13 30.92 2qex s GLU 44 CO -0.00 -0.31 0.56 -0.35 0.02 0.00 0.00 175.26 175.17 2qex n PRO 45 N 3.00 0.46 -2.16 0.39 -0.04 -1.26 -4.94 135.00 130.45 2qex n PRO 45 Ca 0.08 0.19 -0.41 0.00 -0.04 0.00 0.00 63.50 63.31 2qex n PRO 45 Cb 0.43 -1.79 -0.03 0.00 -0.04 0.00 0.00 33.50 32.06 2qex n PRO 45 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qex s LEU 46 N 0.13 4.41 0.00 1.53 1.43 -1.26 -4.98 118.68 119.93 2qex s LEU 46 Ca 0.68 2.48 0.00 0.00 -1.03 0.00 0.00 54.13 56.26 2qex s LEU 46 Cb -0.40 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.20 2qex s LEU 46 CO 0.55 -0.58 0.00 0.61 0.23 0.00 0.00 176.35 177.16 2qex n GLY 47 N 2.30 2.42 3.52 -3.19 0.00 -1.26 -5.11 105.19 103.86 2qex n GLY 47 Ca 0.06 -1.12 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 2qex n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qex s LYS 48 N -2.02 3.74 -0.04 1.61 1.02 -1.26 -5.10 119.74 117.68 2qex s LYS 48 Ca 0.00 -0.47 -0.00 0.00 0.02 0.00 0.00 55.97 55.51 2qex s LYS 48 Cb 0.00 -3.04 0.03 0.00 -0.52 0.00 0.00 37.83 34.30 2qex s LYS 48 CO 0.00 0.19 0.00 0.45 -0.92 0.00 0.00 175.35 175.07 2qex s SER 49 N 0.55 0.81 0.78 2.83 0.15 -1.26 -5.12 113.70 112.43 2qex s SER 49 Ca -0.01 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.60 2qex s SER 49 Cb -0.14 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 2qex s SER 49 CO 0.02 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2qex n GLY 50 N 4.47 -0.08 3.33 9.45 0.00 -1.26 -5.00 105.19 116.11 2qex n GLY 50 Ca -0.19 -0.98 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 2qex n GLY 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qex s PHE 51 N 0.00 0.43 0.10 1.61 -0.12 -1.26 -5.18 117.98 113.57 2qex s PHE 51 Ca 0.00 -0.79 0.09 0.00 -0.05 0.00 0.00 56.93 56.18 2qex s PHE 51 Cb 0.00 -0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.28 2qex s PHE 51 CO 0.00 -0.72 -0.24 0.15 -0.05 0.00 0.00 175.22 174.36 2qex s LYS 52 N -3.98 1.33 0.08 1.99 1.02 -1.26 -5.14 119.74 113.78 2qex s LYS 52 Ca 0.18 -1.22 -0.00 0.00 0.02 0.00 0.00 55.97 54.95 2qex s LYS 52 Cb 0.03 -1.68 -0.04 0.00 -0.52 0.00 0.00 37.83 35.62 2qex s LYS 52 CO 0.01 0.40 0.23 1.03 -0.92 0.00 0.00 175.35 176.10 2qex s ARG 53 N -1.85 3.45 0.11 1.68 0.52 -1.26 -5.04 118.95 116.56 2qex s ARG 53 Ca 0.10 -0.43 -0.32 0.00 -0.52 0.00 0.00 55.73 54.56 2qex s ARG 53 Cb -0.10 -3.01 -0.12 0.00 0.52 0.00 0.00 34.95 32.24 2qex s ARG 53 CO 0.05 0.59 1.78 -0.35 0.02 0.00 0.00 175.30 177.38 2qex n PRO 54 N 0.16 2.56 -0.32 3.54 -0.04 -1.26 -4.88 135.00 134.75 2qex n PRO 54 Ca -0.05 0.93 0.29 0.00 -0.04 0.00 0.00 63.50 64.63 2qex n PRO 54 Cb 0.51 -2.78 0.54 0.00 -0.04 0.00 0.00 33.50 31.73 2qex n PRO 54 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2qex h GLN 55 N 7.91 0.06 -0.26 0.54 4.20 -1.96 0.33 115.11 125.94 2qex h GLN 55 Ca -0.46 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 2qex h GLN 55 Cb 1.23 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2qex h GLN 55 CO 0.94 0.04 0.00 0.36 -0.67 0.00 0.00 178.83 179.49 2qex n LYS 56 N -5.24 0.97 0.00 1.46 2.85 -1.26 -2.04 118.16 114.90 2qex n LYS 56 Ca 0.35 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.61 2qex n LYS 56 Cb 1.18 -1.13 0.00 0.00 -0.65 0.00 0.00 35.03 34.44 2qex n LYS 56 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 2qex n VAL 57 N -0.36 0.00 -3.59 0.58 0.31 0.12 -5.03 118.33 110.35 2qex n VAL 57 Ca 0.00 -0.47 -0.35 0.00 -0.01 0.00 0.00 64.34 63.51 2qex n VAL 57 Cb 0.06 1.06 -0.05 0.00 -0.91 0.00 0.00 33.84 33.99 2qex n VAL 57 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2qex s GLN 58 N -0.17 3.76 -0.05 5.55 -0.21 -0.86 -5.01 119.66 122.67 2qex s GLN 58 Ca 0.00 0.17 0.05 0.00 0.02 0.00 0.00 55.36 55.60 2qex s GLN 58 Cb 0.00 -3.04 -0.02 0.00 1.00 0.00 0.00 33.01 30.95 2qex s GLN 58 CO 0.00 0.59 -0.19 -1.21 -2.12 0.00 0.00 175.29 172.36 2qex s GLU 59 N -1.78 2.48 -0.31 2.91 2.02 -1.26 -5.04 118.70 117.72 2qex s GLU 59 Ca 0.31 -0.80 -0.06 0.00 0.02 0.00 0.00 54.97 54.45 2qex s GLU 59 Cb -0.14 -2.27 0.03 0.00 0.10 0.00 0.00 34.13 31.85 2qex s GLU 59 CO 0.17 0.53 0.07 -2.00 0.02 0.00 0.00 175.26 174.05 2qex s GLU 60 N -0.50 2.75 0.16 1.61 2.12 -1.26 -5.02 118.70 118.56 2qex s GLU 60 Ca 0.06 -1.08 -0.11 0.00 0.36 0.00 0.00 54.97 54.20 2qex s GLU 60 Cb -0.11 -3.36 -0.07 0.00 0.26 0.00 0.00 34.13 30.84 2qex s GLU 60 CO 0.01 -0.58 0.50 0.00 -0.54 0.00 0.00 175.26 174.66 2qex s ALA 61 N 1.41 3.62 -0.38 6.30 0.00 -1.26 -1.24 121.76 130.20 2qex s ALA 61 Ca -0.01 -0.26 -0.16 0.00 0.00 0.00 0.00 51.96 51.53 2qex s ALA 61 Cb -0.19 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.53 2qex s ALA 61 CO 0.02 0.51 0.41 0.00 0.00 0.00 0.00 175.76 176.70 2qex s ALA 62 N -1.58 3.46 0.12 0.00 0.00 -0.21 -4.98 121.76 118.57 2qex s ALA 62 Ca 0.40 -1.36 0.03 0.00 0.00 0.00 0.00 51.96 51.03 2qex s ALA 62 Cb -0.13 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 2qex s ALA 62 CO 0.20 -1.35 0.20 0.95 0.00 0.00 0.00 175.76 175.75 2qex s THR 63 N 2.10 5.02 -0.26 0.00 -4.23 -1.26 -0.70 115.64 116.30 2qex s THR 63 Ca 0.12 -0.72 -0.18 0.00 -1.18 0.00 0.00 61.69 59.73 2qex s THR 63 Cb -0.17 -3.52 0.07 0.00 1.34 0.00 0.00 72.50 70.23 2qex s THR 63 CO 0.13 -0.01 0.66 -0.51 -0.54 0.00 0.00 174.62 174.35 2qex s ILE 64 N -1.63 -0.00 0.12 2.99 2.07 -1.03 -4.97 121.20 118.75 2qex s ILE 64 Ca 0.33 0.01 -0.16 0.00 -1.41 0.00 0.00 60.65 59.42 2qex s ILE 64 Cb -0.11 -0.94 -0.07 0.00 0.13 0.00 0.00 42.46 41.46 2qex s ILE 64 CO 0.26 0.00 0.55 -1.81 -1.91 0.00 0.00 174.94 172.04 2qex s ASP 65 N 1.23 6.89 0.28 4.50 1.01 -1.26 -0.13 116.67 129.19 2qex s ASP 65 Ca -0.07 1.13 0.02 0.00 0.71 0.00 0.00 52.55 54.33 2qex s ASP 65 Cb -0.05 -2.31 0.62 0.00 1.01 0.00 0.00 42.92 42.19 2qex s ASP 65 CO -0.13 0.16 1.75 -0.37 0.21 0.00 0.00 175.17 176.79 2qex h VAL 66 N 3.04 0.68 -0.92 -1.27 -1.51 -1.38 -0.62 116.25 114.27 2qex h VAL 66 Ca -0.49 -0.21 0.22 0.00 -1.23 0.00 0.00 66.70 64.99 2qex h VAL 66 Cb 1.20 0.00 -0.12 0.00 -2.13 0.00 0.00 31.29 30.24 2qex h VAL 66 CO 0.65 0.11 0.45 -0.09 -1.23 0.00 0.00 177.57 177.46 2qex h ARG 67 N 0.62 0.46 -0.25 5.19 2.43 -1.65 0.14 114.38 121.31 2qex h ARG 67 Ca 0.51 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.64 2qex h ARG 67 Cb 0.79 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2qex h ARG 67 CO -0.40 0.30 0.11 1.49 -1.51 0.00 0.00 179.97 179.97 2qex h GLU 68 N 0.47 0.37 0.56 0.20 4.81 -1.40 -1.16 114.58 118.43 2qex h GLU 68 Ca 0.57 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.71 2qex h GLU 68 Cb 1.06 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.39 2qex h GLU 68 CO -0.50 0.39 -0.27 0.82 -0.73 0.00 0.00 179.01 178.72 2qex h ILE 69 N 0.26 0.38 -0.87 2.32 2.04 -1.10 -3.16 117.51 117.38 2qex h ILE 69 Ca 0.09 -0.24 0.12 0.00 1.00 0.00 0.00 64.86 65.82 2qex h ILE 69 Cb 0.15 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 36.64 2qex h ILE 69 CO -0.01 0.03 0.56 -0.78 0.00 0.00 0.00 178.15 177.96 2qex h ASP 70 N -0.92 0.71 1.04 1.72 3.58 -1.04 -1.76 116.42 119.75 2qex h ASP 70 Ca -0.08 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.40 2qex h ASP 70 Cb 0.64 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2qex h ASP 70 CO 0.13 0.40 0.00 -0.33 -2.88 0.00 0.00 179.24 176.55 2qex h GLU 71 N 0.77 0.00 -0.03 0.28 5.08 -1.21 -3.24 114.58 116.24 2qex h GLU 71 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2qex h GLU 71 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2qex h GLU 71 CO -0.18 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.92 2qex n ASN 72 N -2.78 2.37 -0.14 1.42 3.02 -0.69 -4.79 115.26 113.67 2qex n ASN 72 Ca 0.02 -2.69 -0.09 0.00 -0.03 0.00 0.00 54.58 51.79 2qex n ASN 72 Cb 0.31 -0.29 -0.01 0.00 -0.61 0.00 0.00 39.78 39.18 2qex n ASN 72 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 2qex h VAL 73 N 0.20 1.20 0.00 2.41 -1.51 -1.52 0.13 116.25 117.16 2qex h VAL 73 Ca 0.00 -0.60 -0.00 0.00 -1.23 0.00 0.00 66.70 64.86 2qex h VAL 73 Cb 0.86 0.83 -0.00 0.00 -2.13 0.00 0.00 31.29 30.85 2qex h VAL 73 CO 0.02 0.22 -0.02 0.71 -1.23 0.00 0.00 177.57 177.26 2qex h THR 74 N 0.52 0.08 0.00 7.19 1.35 -1.86 -2.68 112.91 117.50 2qex h THR 74 Ca 0.14 -0.40 -0.27 0.00 -0.55 0.00 0.00 66.41 65.33 2qex h THR 74 Cb 0.19 1.36 -0.05 0.00 -1.73 0.00 0.00 68.15 67.92 2qex h THR 74 CO -0.01 0.02 -1.77 0.18 -0.25 0.00 0.00 175.52 173.69 2qex n LEU 75 N -3.15 0.69 -3.23 3.87 4.77 -0.97 -4.41 117.00 114.56 2qex n LEU 75 Ca -0.01 0.32 -0.37 0.00 -0.03 0.00 0.00 56.01 55.92 2qex n LEU 75 Cb 0.24 0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.49 2qex n LEU 75 CO 0.26 0.34 3.21 0.18 -1.33 0.00 0.00 177.39 180.04 2qex n LEU 76 N -2.93 8.48 0.27 2.23 4.77 -0.00 -4.59 117.00 125.22 2qex n LEU 76 Ca -0.18 -4.33 0.16 0.00 -0.03 0.00 0.00 56.01 51.63 2qex n LEU 76 Cb 1.01 -1.53 0.73 0.00 -2.33 0.00 0.00 43.42 41.29 2qex n LEU 76 CO 0.44 2.05 0.98 0.00 -1.33 0.00 0.00 177.39 179.53 2qex h ALA 77 N 4.82 1.06 -0.02 -1.18 0.00 -1.77 -2.98 119.26 119.19 2qex h ALA 77 Ca 0.82 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.66 2qex h ALA 77 Cb 0.37 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2qex h ALA 77 CO 1.65 0.09 0.00 0.00 0.00 0.00 0.00 179.25 181.00 2qex n ALA 78 N -2.16 2.55 -3.22 0.00 0.00 -1.26 -4.74 120.51 111.68 2qex n ALA 78 Ca -0.01 -0.07 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 2qex n ALA 78 Cb 0.28 -1.01 -0.15 0.00 0.00 0.00 0.00 19.45 18.58 2qex n ALA 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qex s ASP 79 N 0.17 0.02 -0.03 0.00 1.01 -1.13 -5.12 116.67 111.59 2qex s ASP 79 Ca 0.02 0.03 -0.07 0.00 0.71 0.00 0.00 52.55 53.23 2qex s ASP 79 Cb 0.01 -0.01 -0.04 0.00 1.01 0.00 0.00 42.92 43.90 2qex s ASP 79 CO 0.00 -0.05 0.22 0.47 0.21 0.00 0.00 175.17 176.02 2qex n ASP 80 N 3.50 0.07 -3.99 0.27 9.92 -1.25 -4.89 116.55 120.18 2qex n ASP 80 Ca -0.18 0.21 -0.35 0.00 -0.53 0.00 0.00 54.79 53.93 2qex n ASP 80 Cb 0.56 -0.16 -0.06 0.00 -0.64 0.00 0.00 41.12 40.82 2qex n ASP 80 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2qex n VAL 81 N 0.41 3.20 -0.41 2.53 0.31 -1.26 -2.59 118.33 120.52 2qex n VAL 81 Ca 0.04 -5.23 -0.01 0.00 -0.01 0.00 0.00 64.34 59.13 2qex n VAL 81 Cb 0.01 -2.30 0.01 0.00 -0.91 0.00 0.00 33.84 30.65 2qex n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qex n ALA 82 N 1.95 -0.12 0.07 3.52 0.00 -1.26 -4.82 120.51 119.85 2qex n ALA 82 Ca 0.24 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.63 2qex n ALA 82 Cb 0.37 -0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.85 2qex n ALA 82 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2qex n GLU 83 N -1.72 0.01 -3.56 0.00 0.28 -1.26 -4.90 120.64 109.50 2qex n GLU 83 Ca 0.00 0.26 -0.37 0.00 -0.16 0.00 0.00 57.16 56.90 2qex n GLU 83 Cb 0.02 -2.06 -0.06 0.00 1.43 0.00 0.00 31.44 30.77 2qex n GLU 83 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2qex s PHE 89 N -2.55 3.66 -0.07 -1.84 0.40 -1.17 -5.14 117.98 111.27 2qex s PHE 89 Ca -0.00 0.88 -0.03 0.00 -0.60 0.00 0.00 56.93 57.17 2qex s PHE 89 Cb 0.00 -2.21 0.04 0.00 0.51 0.00 0.00 43.02 41.36 2qex s PHE 89 CO 0.01 0.60 0.16 0.50 0.70 0.00 0.00 175.22 177.19 2qex s ARG 90 N -1.42 0.12 -0.14 0.44 3.52 -1.07 -1.24 118.95 119.16 2qex s ARG 90 Ca 0.27 0.36 -0.05 0.00 -0.13 0.00 0.00 55.73 56.18 2qex s ARG 90 Cb -0.15 -0.13 0.07 0.00 -1.56 0.00 0.00 34.95 33.17 2qex s ARG 90 CO 0.15 -0.14 0.29 0.54 -0.81 0.00 0.00 175.30 175.32 2qex s VAL 91 N 1.01 -0.40 -0.46 7.11 0.11 -0.89 -3.83 120.40 123.04 2qex s VAL 91 Ca -0.08 0.24 -0.28 0.00 -2.93 0.00 0.00 61.98 58.93 2qex s VAL 91 Cb -0.10 -0.48 0.00 0.00 -1.53 0.00 0.00 36.38 34.28 2qex s VAL 91 CO -0.05 0.10 1.54 -0.62 -3.33 0.00 0.00 175.10 172.74 2qex s ASP 92 N 2.29 6.06 0.36 3.54 2.15 -1.26 -2.77 116.67 127.04 2qex s ASP 92 Ca -0.01 0.70 0.10 0.00 0.43 0.00 0.00 52.55 53.78 2qex s ASP 92 Cb -0.12 -2.54 0.85 0.00 -0.30 0.00 0.00 42.92 40.82 2qex s ASP 92 CO -0.09 -1.68 1.86 0.58 -0.17 0.00 0.00 175.17 175.67 2qex h VAL 93 N 6.56 0.80 -0.00 1.11 2.07 -1.32 -2.58 116.25 122.88 2qex h VAL 93 Ca -0.28 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2qex h VAL 93 Cb 1.12 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2qex h VAL 93 CO 1.12 0.12 0.33 0.03 0.02 0.00 0.00 177.57 179.19 2qex h ARG 94 N 0.65 0.00 0.00 1.57 3.08 -1.90 0.69 114.38 118.47 2qex h ARG 94 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 2qex h ARG 94 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 2qex h ARG 94 CO -0.21 0.00 -1.11 -0.25 -1.07 0.00 0.00 179.97 177.32 2qex n ASP 95 N -2.89 0.63 -0.09 7.04 8.00 -0.97 -4.50 116.55 123.77 2qex n ASP 95 Ca -0.02 -0.42 -0.19 0.00 0.71 0.00 0.00 54.79 54.87 2qex n ASP 95 Cb 0.38 0.98 -0.12 0.00 -0.02 0.00 0.00 41.12 42.34 2qex n ASP 95 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2qex h VAL 96 N 0.00 1.22 -3.46 2.53 2.07 -0.99 -3.47 116.25 114.16 2qex h VAL 96 Ca 0.00 -2.23 -0.53 0.00 0.82 0.00 0.00 66.70 64.76 2qex h VAL 96 Cb 0.68 2.62 0.08 0.00 -1.52 0.00 0.00 31.29 33.16 2qex h VAL 96 CO 0.00 0.41 0.84 -0.69 0.02 0.00 0.00 177.57 178.15 2qex s VAL 97 N -2.31 2.20 0.43 2.57 1.01 -1.16 -5.02 120.40 118.13 2qex s VAL 97 Ca -0.25 0.18 -0.10 0.00 0.00 0.00 0.00 61.98 61.80 2qex s VAL 97 Cb 0.03 -3.11 -0.06 0.00 0.00 0.00 0.00 36.38 33.23 2qex s VAL 97 CO 0.62 0.03 0.79 -1.61 0.00 0.00 0.00 175.10 174.94 2qex s GLU 98 N -0.77 3.76 -0.93 2.72 2.02 -1.26 -4.04 118.70 120.20 2qex s GLU 98 Ca 0.60 0.49 -0.01 0.00 0.02 0.00 0.00 54.97 56.08 2qex s GLU 98 Cb -0.46 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.41 2qex s GLU 98 CO 0.50 -0.09 0.07 0.39 0.02 0.00 0.00 175.26 176.15 2qex n GLU 99 N -1.45 -1.26 0.00 1.61 1.02 -1.26 -4.92 120.64 114.37 2qex n GLU 99 Ca 0.03 0.53 0.13 0.00 -0.02 0.00 0.00 57.16 57.83 2qex n GLU 99 Cb 0.54 -4.62 0.42 0.00 -0.02 0.00 0.00 31.44 27.76 2qex n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qex n ALA 100 N -1.79 3.07 0.09 0.62 0.00 -1.26 -4.03 120.51 117.20 2qex n ALA 100 Ca -0.12 -0.33 -0.04 0.00 0.00 0.00 0.00 53.44 52.95 2qex n ALA 100 Cb 0.59 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.81 2qex n ALA 100 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2qex h ASP 101 N 0.61 -0.24 -0.05 0.00 3.32 -1.92 -3.34 116.42 114.81 2qex h ASP 101 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2qex h ASP 101 Cb 0.47 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2qex h ASP 101 CO 0.00 0.06 0.00 -0.90 -1.72 0.00 0.00 179.24 176.68 2qex n ASP 102 N -3.99 0.89 -4.87 6.45 5.75 -1.26 -4.86 116.55 114.65 2qex n ASP 102 Ca -0.03 -2.04 -0.34 0.00 -0.01 0.00 0.00 54.79 52.36 2qex n ASP 102 Cb 0.11 -0.31 -0.06 0.00 -1.03 0.00 0.00 41.12 39.83 2qex n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qex s ALA 103 N -1.47 3.85 0.26 2.12 0.00 -1.26 -4.92 121.76 120.35 2qex s ALA 103 Ca 0.04 -0.75 0.32 0.00 0.00 0.00 0.00 51.96 51.57 2qex s ALA 103 Cb 0.02 -1.84 1.45 0.00 0.00 0.00 0.00 23.12 22.75 2qex s ALA 103 CO 0.02 0.70 2.03 -0.44 0.00 0.00 0.00 175.76 178.06 2qex h ASP 104 N 4.24 0.00 0.00 0.00 3.32 -1.51 -3.47 116.42 119.00 2qex h ASP 104 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 2qex h ASP 104 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2qex h ASP 104 CO 0.64 0.08 0.00 0.00 -1.72 0.00 0.00 179.24 178.24 2qex n TYR 105 N -3.28 0.00 -5.19 4.55 0.18 -1.26 -5.06 117.16 107.10 2qex n TYR 105 Ca -0.01 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.46 2qex n TYR 105 Cb 0.28 0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.08 2qex n TYR 105 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 2qex s VAL 106 N -2.00 2.24 -0.03 -3.48 1.01 -1.26 -1.04 120.40 115.83 2qex s VAL 106 Ca 0.00 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.01 2qex s VAL 106 Cb 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2qex s VAL 106 CO 0.00 0.57 -0.12 -0.75 0.00 0.00 0.00 175.10 174.80 2qex s LYS 107 N -0.18 1.22 -0.19 2.72 2.20 0.12 -2.43 119.74 123.20 2qex s LYS 107 Ca -0.03 -0.41 -0.11 0.00 -0.36 0.00 0.00 55.97 55.06 2qex s LYS 107 Cb -0.14 -1.11 -0.05 0.00 -1.51 0.00 0.00 37.83 35.03 2qex s LYS 107 CO 0.04 0.17 0.19 0.08 -0.36 0.00 0.00 175.35 175.46 2qex s VAL 108 N 0.10 5.37 0.09 4.02 1.01 -0.66 -2.45 120.40 127.87 2qex s VAL 108 Ca -0.03 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.29 2qex s VAL 108 Cb -0.09 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2qex s VAL 108 CO 0.01 0.41 0.08 -0.76 0.00 0.00 0.00 175.10 174.84 2qex s LEU 109 N 0.52 3.81 -1.15 3.92 1.43 0.82 -3.47 118.68 124.55 2qex s LEU 109 Ca 0.11 -0.02 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 2qex s LEU 109 Cb -0.12 -2.48 0.17 0.00 0.03 0.00 0.00 46.19 43.79 2qex s LEU 109 CO 0.01 0.16 2.26 0.61 0.23 0.00 0.00 176.35 179.63 2qex n GLY 110 N 0.40 5.40 3.44 -3.19 0.00 -1.26 -1.54 105.19 108.43 2qex n GLY 110 Ca -0.09 -2.19 -0.35 0.00 0.00 0.00 0.00 46.02 43.39 2qex n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qex s ALA 111 N -2.14 3.04 0.00 4.61 0.00 -1.26 -4.65 121.76 121.37 2qex s ALA 111 Ca 0.51 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2qex s ALA 111 Cb 0.21 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.51 2qex s ALA 111 CO -0.13 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.82 2qex n GLY 112 N 4.39 -1.66 3.98 0.00 0.00 -1.26 -2.34 105.19 108.31 2qex n GLY 112 Ca -0.17 -2.12 -0.20 0.00 0.00 0.00 0.00 46.02 43.54 2qex n GLY 112 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qex s GLN 113 N -0.16 3.17 -0.32 1.61 -0.21 -1.26 -4.82 119.66 117.66 2qex s GLN 113 Ca 0.00 -0.91 -0.01 0.00 0.02 0.00 0.00 55.36 54.45 2qex s GLN 113 Cb 0.00 -2.80 0.11 0.00 1.00 0.00 0.00 33.01 31.31 2qex s GLN 113 CO 0.00 0.09 0.14 0.08 -2.12 0.00 0.00 175.29 173.48 2qex s VAL 114 N -2.18 0.51 -1.56 1.09 1.01 -1.26 -4.32 120.40 113.69 2qex s VAL 114 Ca 0.44 -1.35 0.10 0.00 0.00 0.00 0.00 61.98 61.16 2qex s VAL 114 Cb -0.09 -1.39 0.34 0.00 0.00 0.00 0.00 36.38 35.24 2qex s VAL 114 CO 0.31 -0.76 1.21 0.54 0.00 0.00 0.00 175.10 176.40 2qex n ARG 115 N 4.73 2.17 -4.37 2.72 1.74 -1.26 -4.75 116.66 117.65 2qex n ARG 115 Ca -0.00 -1.36 -0.19 0.00 -0.77 0.00 0.00 57.85 55.53 2qex n ARG 115 Cb 0.40 -1.47 -0.10 0.00 -1.02 0.00 0.00 32.46 30.27 2qex n ARG 115 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2qex s HIS 116 N -1.63 1.71 -0.72 -1.55 3.76 -1.26 -5.10 115.29 110.51 2qex s HIS 116 Ca 0.25 -1.08 -0.15 0.00 -0.15 0.00 0.00 55.06 53.93 2qex s HIS 116 Cb 0.15 -1.05 0.18 0.00 1.11 0.00 0.00 32.58 32.97 2qex s HIS 116 CO 0.13 -0.19 0.67 -1.83 -0.85 0.00 0.00 174.74 172.68 2qex s GLU 117 N -3.97 3.37 -0.05 1.40 -1.05 -1.26 -4.70 118.70 112.44 2qex s GLU 117 Ca 0.37 -2.15 -0.04 0.00 -0.15 0.00 0.00 54.97 53.00 2qex s GLU 117 Cb 0.08 -4.39 -0.04 0.00 -0.44 0.00 0.00 34.13 29.35 2qex s GLU 117 CO 0.14 -1.32 0.14 -0.51 0.95 0.00 0.00 175.26 174.66 2qex s LEU 118 N 0.78 4.24 -0.46 1.83 1.43 -1.26 -3.03 118.68 122.22 2qex s LEU 118 Ca 0.12 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.57 2qex s LEU 118 Cb -0.18 -2.32 0.12 0.00 0.03 0.00 0.00 46.19 43.84 2qex s LEU 118 CO -0.04 0.32 0.22 -0.89 0.23 0.00 0.00 176.35 176.19 2qex s THR 119 N -1.18 2.94 -0.02 5.49 2.01 -0.37 -1.91 115.64 122.61 2qex s THR 119 Ca 0.22 -2.59 -0.16 0.00 0.31 0.00 0.00 61.69 59.46 2qex s THR 119 Cb -0.12 -3.04 -0.06 0.00 0.01 0.00 0.00 72.50 69.30 2qex s THR 119 CO 0.12 -0.73 0.45 -0.76 -0.69 0.00 0.00 174.62 173.01 2qex s LEU 120 N 0.52 4.44 -0.26 4.42 1.43 -0.96 -2.11 118.68 126.16 2qex s LEU 120 Ca 0.13 0.97 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 2qex s LEU 120 Cb -0.22 -2.65 0.05 0.00 0.03 0.00 0.00 46.19 43.39 2qex s LEU 120 CO -0.04 0.24 -0.07 -0.63 0.23 0.00 0.00 176.35 176.08 2qex s ILE 121 N -0.69 2.57 0.24 -0.59 1.01 -1.11 0.61 121.20 123.25 2qex s ILE 121 Ca 0.25 -1.38 -0.07 0.00 0.00 0.00 0.00 60.65 59.45 2qex s ILE 121 Cb -0.17 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 2qex s ILE 121 CO 0.13 0.03 0.35 0.00 0.00 0.00 0.00 174.94 175.46 2qex s ALA 122 N 1.21 0.41 -0.30 9.38 0.00 -0.93 -0.75 121.76 130.79 2qex s ALA 122 Ca -0.05 -1.26 0.21 0.00 0.00 0.00 0.00 51.96 50.86 2qex s ALA 122 Cb -0.19 1.20 0.13 0.00 0.00 0.00 0.00 23.12 24.26 2qex s ALA 122 CO -0.04 -0.75 1.31 -0.44 0.00 0.00 0.00 175.76 175.83 2qex h ASP 123 N 2.36 0.00 -4.81 0.00 3.32 -1.81 -0.13 116.42 115.35 2qex h ASP 123 Ca -0.30 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.70 2qex h ASP 123 Cb 1.25 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.60 2qex h ASP 123 CO 0.42 0.12 0.20 -0.62 -1.72 0.00 0.00 179.24 177.64 2qex s ASP 124 N -5.90 -0.66 0.26 6.45 2.15 -1.02 -3.90 116.67 114.06 2qex s ASP 124 Ca 0.03 0.81 0.01 0.00 0.43 0.00 0.00 52.55 53.83 2qex s ASP 124 Cb 0.07 0.66 -0.05 0.00 -0.30 0.00 0.00 42.92 43.30 2qex s ASP 124 CO 0.74 -0.54 0.10 -0.36 -0.17 0.00 0.00 175.17 174.93 2qex s PHE 125 N -0.96 1.53 0.46 -5.34 0.40 -1.26 -1.66 117.98 111.14 2qex s PHE 125 Ca -0.09 -1.20 0.05 0.00 -0.60 0.00 0.00 56.93 55.09 2qex s PHE 125 Cb -0.01 -0.88 -0.04 0.00 0.51 0.00 0.00 43.02 42.60 2qex s PHE 125 CO 0.08 -0.36 0.09 -1.54 0.70 0.00 0.00 175.22 174.20 2qex s SER 126 N -3.31 4.18 0.07 1.36 1.04 -1.23 -4.95 113.70 110.86 2qex s SER 126 Ca 0.38 -1.39 -0.32 0.00 0.48 0.00 0.00 55.95 55.10 2qex s SER 126 Cb 0.08 -0.01 -0.19 0.00 0.10 0.00 0.00 66.02 66.00 2qex s SER 126 CO 0.14 -0.69 1.60 -0.33 0.98 0.00 0.00 173.24 174.94 2qex h GLU 127 N 1.43 -0.83 -0.61 4.02 5.08 -1.99 -1.81 114.58 119.86 2qex h GLU 127 Ca -0.43 0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.09 2qex h GLU 127 Cb 1.28 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.68 2qex h GLU 127 CO 0.73 -0.55 0.41 0.78 -1.00 0.00 0.00 179.01 179.39 2qex h GLY 128 N -0.89 0.57 0.91 -3.84 0.00 -1.97 0.11 103.07 97.96 2qex h GLY 128 Ca -0.09 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 2qex h GLY 128 CO 0.15 0.09 -0.06 0.00 0.00 0.00 0.00 176.54 176.72 2qex h ALA 129 N 1.69 0.45 0.59 3.60 0.00 -1.78 -2.68 119.26 121.13 2qex h ALA 129 Ca 0.28 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2qex h ALA 129 Cb 0.58 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2qex h ALA 129 CO -0.08 0.27 -0.28 0.00 0.00 0.00 0.00 179.25 179.16 2qex h ARG 130 N 0.41 -0.76 -0.85 0.00 3.08 -0.28 -2.85 114.38 113.13 2qex h ARG 130 Ca 0.09 0.05 0.21 0.00 0.07 0.00 0.00 59.98 60.40 2qex h ARG 130 Cb 0.54 0.17 -0.12 0.00 0.08 0.00 0.00 29.97 30.64 2qex h ARG 130 CO 0.03 -0.46 0.30 0.93 -1.07 0.00 0.00 179.97 179.69 2qex h GLU 131 N -1.12 0.31 0.00 0.04 5.08 -0.94 0.56 114.58 118.52 2qex h GLU 131 Ca -0.08 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 2qex h GLU 131 Cb 0.65 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2qex h GLU 131 CO 0.13 0.21 -0.51 0.87 -1.00 0.00 0.00 179.01 178.71 2qex h LYS 132 N 0.32 0.00 0.11 2.33 1.57 -1.52 0.17 116.57 119.55 2qex h LYS 132 Ca 0.52 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 59.01 2qex h LYS 132 Cb 0.98 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.32 2qex h LYS 132 CO -0.56 0.51 -1.22 0.28 -0.57 0.00 0.00 179.45 177.89 2qex h VAL 133 N 0.00 1.30 0.00 0.50 2.07 -0.71 -3.14 116.25 116.28 2qex h VAL 133 Ca -0.01 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.03 2qex h VAL 133 Cb 0.90 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.35 2qex h VAL 133 CO 0.07 0.76 -0.15 -0.62 0.02 0.00 0.00 177.57 177.64 2qex n GLU 134 N -3.77 0.03 0.18 1.57 1.02 -0.30 -0.37 120.64 119.00 2qex n GLU 134 Ca -0.13 0.02 0.07 0.00 -0.02 0.00 0.00 57.16 57.10 2qex n GLU 134 Cb 0.98 -1.53 0.13 0.00 -0.02 0.00 0.00 31.44 30.99 2qex n GLU 134 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2qex h GLY 135 N 4.94 0.00 -2.78 0.62 0.00 -0.61 -3.00 103.07 102.25 2qex h GLY 135 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 2qex h GLY 135 CO 0.00 0.00 0.16 0.00 0.00 0.00 0.00 176.54 176.70 2qex n ALA 136 N -2.17 4.25 -3.24 3.60 0.00 -1.18 -4.93 120.51 116.84 2qex n ALA 136 Ca 0.03 -2.62 -0.15 0.00 0.00 0.00 0.00 53.44 50.70 2qex n ALA 136 Cb 0.62 -1.01 0.08 0.00 0.00 0.00 0.00 19.45 19.14 2qex n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qex n GLY 137 N -0.62 -0.54 3.36 0.00 0.00 -1.13 -4.10 105.19 102.17 2qex n GLY 137 Ca 0.36 0.21 -0.18 0.00 0.00 0.00 0.00 46.02 46.42 2qex n GLY 137 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qex s GLY 138 N -3.94 1.83 0.36 -0.02 0.00 0.50 -4.69 107.32 101.36 2qex s GLY 138 Ca 0.14 -1.92 0.08 0.00 0.00 0.00 0.00 44.72 43.02 2qex s GLY 138 CO 0.67 -1.67 0.07 -1.35 0.00 0.00 0.00 173.10 170.83 2qex s SER 139 N -3.37 4.29 -0.07 1.64 1.04 -0.80 -3.63 113.70 112.80 2qex s SER 139 Ca 0.37 -1.01 -0.01 0.00 0.48 0.00 0.00 55.95 55.78 2qex s SER 139 Cb 0.08 -0.54 0.03 0.00 0.10 0.00 0.00 66.02 65.69 2qex s SER 139 CO 0.14 -0.33 0.01 -0.69 0.98 0.00 0.00 173.24 173.35 2qex s VAL 140 N -2.54 0.31 -0.29 5.02 1.01 -1.26 -2.27 120.40 120.38 2qex s VAL 140 Ca 0.37 0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.43 2qex s VAL 140 Cb 0.01 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.91 2qex s VAL 140 CO 0.20 0.23 0.07 -1.61 0.00 0.00 0.00 175.10 174.00 2qex s GLU 141 N 2.00 3.14 0.01 2.72 2.02 0.20 -4.97 118.70 123.83 2qex s GLU 141 Ca 0.05 -0.82 -0.30 0.00 0.02 0.00 0.00 54.97 53.92 2qex s GLU 141 Cb -0.12 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.72 2qex s GLU 141 CO -0.05 -0.41 1.07 -1.17 0.02 0.00 0.00 175.26 174.72 2qex s LEU 142 N 1.50 4.36 1.10 1.80 2.96 -1.26 -2.18 118.68 126.96 2qex s LEU 142 Ca 0.03 1.78 -0.16 0.00 -0.22 0.00 0.00 54.13 55.56 2qex s LEU 142 Cb -0.17 -3.57 0.24 0.00 0.50 0.00 0.00 46.19 43.19 2qex s LEU 142 CO 0.02 -0.36 1.12 -0.89 -1.32 0.00 0.00 176.35 174.92 2qex s THR 143 N 1.16 1.78 0.26 3.68 2.01 -0.06 -4.83 115.64 119.65 2qex s THR 143 Ca 0.54 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.51 2qex s THR 143 Cb -0.24 -2.55 0.18 0.00 0.01 0.00 0.00 72.50 69.90 2qex s THR 143 CO 0.27 0.00 1.84 0.44 -0.69 0.00 0.00 174.62 176.48 2qex h ASP 144 N -2.23 0.91 -0.10 3.53 3.32 -1.96 -0.21 116.42 119.67 2qex h ASP 144 Ca -0.48 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.34 2qex h ASP 144 Cb 1.31 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 2qex h ASP 144 CO 0.44 0.81 -0.25 0.25 -1.72 0.00 0.00 179.24 178.78 2qex h LEU 145 N 0.97 0.55 -0.36 1.55 6.46 -1.93 -2.32 115.31 120.23 2qex h LEU 145 Ca 0.23 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2qex h LEU 145 Cb 0.19 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 2qex h LEU 145 CO -0.02 0.79 0.00 0.61 -0.62 0.00 0.00 178.44 179.20 2qex n GLY 146 N -0.34 -0.66 0.07 3.75 0.00 -0.11 -2.39 105.19 105.51 2qex n GLY 146 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2qex n GLY 146 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qex n GLU 147 N -1.70 0.66 -0.94 1.61 1.02 -0.87 -3.85 120.64 116.55 2qex n GLU 147 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 2qex n GLU 147 Cb 0.03 -1.05 0.09 0.00 -0.02 0.00 0.00 31.44 30.49 2qex n GLU 147 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2qex n GLU 148 N -0.41 1.99 -3.56 3.49 1.02 -1.00 -4.76 120.64 117.41 2qex n GLU 148 Ca 0.00 -2.11 -0.37 0.00 -0.02 0.00 0.00 57.16 54.66 2qex n GLU 148 Cb 0.02 -1.83 -0.05 0.00 -0.02 0.00 0.00 31.44 29.56 2qex n GLU 148 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2qex n ARG 149 N -0.35 2.84 0.00 3.49 1.74 -1.25 -5.22 116.66 117.91 2qex n ARG 149 Ca 0.41 -4.50 0.00 0.00 -0.77 0.00 0.00 57.85 53.00 2qex n ARG 149 Cb 0.94 -2.42 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 2qex n ARG 149 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05