#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbc s LEU 2 N 0.00 -1.57 0.19 -0.89 2.96 -1.26 -5.12 118.68 112.99 2qbc s LEU 2 Ca 0.00 0.32 -0.20 0.00 -0.22 0.00 0.00 54.13 54.03 2qbc s LEU 2 Cb 0.00 2.05 0.04 0.00 0.50 0.00 0.00 46.19 48.78 2qbc s LEU 2 CO 0.00 -0.29 0.57 0.00 -1.32 0.00 0.00 176.35 175.31 2qbc s GLN 3 N 2.83 1.38 -0.01 1.98 -2.07 -1.26 -4.75 119.66 117.77 2qbc s GLN 3 Ca 0.12 -0.73 -0.30 0.00 -1.82 0.00 0.00 55.36 52.64 2qbc s GLN 3 Cb -0.11 0.56 -0.08 0.00 -1.09 0.00 0.00 33.01 32.29 2qbc s GLN 3 CO -0.25 -0.60 1.95 -2.14 -1.32 0.00 0.00 175.29 172.93 2qbc s PRO 4 N -3.83 4.03 0.44 9.60 0.02 -1.26 -4.84 135.00 139.16 2qbc s PRO 4 Ca 0.06 2.47 0.26 0.00 0.02 0.00 0.00 61.00 63.82 2qbc s PRO 4 Cb -0.02 -4.16 1.43 0.00 0.02 0.00 0.00 34.50 31.77 2qbc s PRO 4 CO -0.06 -1.08 1.78 0.87 -0.33 0.00 0.00 177.00 178.19 2qbc h LYS 5 N 10.95 0.00 -2.03 5.54 1.79 -2.04 -3.43 116.57 127.36 2qbc h LYS 5 Ca -0.47 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.07 2qbc h LYS 5 Cb 1.23 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.70 2qbc h LYS 5 CO 0.95 0.00 0.45 0.50 -1.08 0.00 0.00 179.45 180.27 2qbc s ARG 6 N -3.70 0.80 -0.07 3.15 3.52 -1.26 -5.18 118.95 116.21 2qbc s ARG 6 Ca -0.03 -0.07 -0.19 0.00 -0.13 0.00 0.00 55.73 55.30 2qbc s ARG 6 Cb 0.08 0.37 0.04 0.00 -1.56 0.00 0.00 34.95 33.88 2qbc s ARG 6 CO 0.24 -0.31 0.45 0.95 -0.81 0.00 0.00 175.30 175.82 2qbc s THR 7 N -2.17 0.03 -1.83 4.11 -4.23 -1.26 -5.03 115.64 105.25 2qbc s THR 7 Ca 0.00 -0.23 0.31 0.00 -1.18 0.00 0.00 61.69 60.60 2qbc s THR 7 Cb -0.01 -0.73 0.78 0.00 1.34 0.00 0.00 72.50 73.89 2qbc s THR 7 CO -0.03 -0.12 2.15 1.17 -0.54 0.00 0.00 174.62 177.25 2qbc n LYS 8 N 1.60 0.82 -3.69 3.99 3.00 -1.26 -4.69 118.16 117.93 2qbc n LYS 8 Ca -0.19 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.01 2qbc n LYS 8 Cb 0.56 -1.50 -0.12 0.00 0.00 0.00 0.00 35.03 33.98 2qbc n LYS 8 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2qbc s PHE 9 N -2.17 -0.53 0.19 5.64 0.08 -1.26 -5.06 117.98 114.87 2qbc s PHE 9 Ca 0.42 1.13 -0.08 0.00 0.12 0.00 0.00 56.93 58.52 2qbc s PHE 9 Cb 0.21 0.14 0.09 0.00 -0.57 0.00 0.00 43.02 42.89 2qbc s PHE 9 CO 0.39 -0.35 1.62 -0.09 -0.10 0.00 0.00 175.22 176.69 2qbc h ARG 10 N 7.70 0.98 -4.42 0.44 1.12 -2.03 -3.43 114.38 114.73 2qbc h ARG 10 Ca -0.27 -0.36 -0.56 0.00 -1.11 0.00 0.00 59.98 57.69 2qbc h ARG 10 Cb 1.14 -0.07 -0.36 0.00 -0.01 0.00 0.00 29.97 30.67 2qbc h ARG 10 CO 0.23 1.03 -0.82 0.15 -3.11 0.00 0.00 179.97 177.46 2qbc s LYS 11 N -4.83 1.84 0.47 0.20 1.02 -1.26 -4.87 119.74 112.31 2qbc s LYS 11 Ca -0.11 -0.38 -0.03 0.00 0.02 0.00 0.00 55.97 55.46 2qbc s LYS 11 Cb 0.13 -1.78 -0.02 0.00 -0.52 0.00 0.00 37.83 35.64 2qbc s LYS 11 CO 0.86 -0.23 0.74 1.41 -0.92 0.00 0.00 175.35 177.20 2qbc s MET 12 N 1.55 3.36 0.00 1.68 1.75 -1.26 -5.10 119.30 121.28 2qbc s MET 12 Ca 0.04 -0.04 0.00 0.00 -1.25 0.00 0.00 55.69 54.44 2qbc s MET 12 Cb -0.13 -2.44 0.00 0.00 2.84 0.00 0.00 34.83 35.10 2qbc s MET 12 CO -0.08 -0.22 0.00 0.72 -0.65 0.00 0.00 175.02 174.78 2qbc n HIS 13 N -2.19 0.00 -0.05 4.11 8.25 -1.26 -4.79 115.22 119.30 2qbc n HIS 13 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 2qbc n HIS 13 Cb 0.56 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.64 2qbc n HIS 13 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2qbc n LYS 14 N 0.00 0.19 0.00 -0.41 4.81 -1.26 -4.83 118.16 116.67 2qbc n LYS 14 Ca 0.00 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 2qbc n LYS 14 Cb 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 35.03 34.19 2qbc n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qbc n GLY 15 N 2.50 0.60 3.58 3.14 0.00 -1.26 -4.97 105.19 108.78 2qbc n GLY 15 Ca -0.18 -0.83 -0.05 0.00 0.00 0.00 0.00 46.02 44.96 2qbc n GLY 15 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qbc s ARG 16 N 0.00 0.42 0.50 1.61 1.70 -1.26 -5.18 118.95 116.74 2qbc s ARG 16 Ca 0.00 -0.14 -0.05 0.00 -0.47 0.00 0.00 55.73 55.07 2qbc s ARG 16 Cb 0.00 0.20 -0.03 0.00 -0.57 0.00 0.00 34.95 34.55 2qbc s ARG 16 CO 0.00 -0.18 0.80 -0.80 -1.08 0.00 0.00 175.30 174.04 2qbc s ASN 17 N -2.17 6.12 -0.33 -2.89 0.02 -1.26 -5.05 114.94 109.39 2qbc s ASN 17 Ca 0.08 0.86 0.16 0.00 -1.02 0.00 0.00 52.86 52.94 2qbc s ASN 17 Cb -0.01 -2.12 0.45 0.00 0.02 0.00 0.00 41.25 39.59 2qbc s ASN 17 CO -0.05 -0.67 1.18 0.54 0.02 0.00 0.00 177.10 178.11 2qbc n ARG 18 N -2.31 1.33 -0.12 -0.60 5.12 -1.26 -5.13 116.66 113.69 2qbc n ARG 18 Ca 0.01 -2.66 0.02 0.00 -1.93 0.00 0.00 57.85 53.29 2qbc n ARG 18 Cb 0.56 -0.79 -0.00 0.00 -1.16 0.00 0.00 32.46 31.06 2qbc n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qbc n GLY 19 N -0.54 -0.22 2.84 -0.13 0.00 -1.26 -4.96 105.19 100.91 2qbc n GLY 19 Ca 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 2qbc n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbc n LEU 20 N 0.00 -6.17 0.00 0.99 7.99 -0.70 -4.78 117.00 114.33 2qbc n LEU 20 Ca 0.00 1.40 -0.27 0.00 -0.01 0.00 0.00 56.01 57.13 2qbc n LEU 20 Cb 0.06 -2.73 0.19 0.00 -0.11 0.00 0.00 43.42 40.82 2qbc n LEU 20 CO 0.00 -3.03 0.80 0.00 -1.51 0.00 0.00 177.39 173.65 2qbc n ALA 21 N 1.34 -1.45 -0.10 -1.18 0.00 -0.10 -4.93 120.51 114.09 2qbc n ALA 21 Ca -0.11 -1.58 -0.14 0.00 0.00 0.00 0.00 53.44 51.60 2qbc n ALA 21 Cb 0.28 -0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.60 2qbc n ALA 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qbc n GLN 22 N -3.60 0.54 -2.20 0.00 1.13 -1.26 -4.79 117.38 107.19 2qbc n GLN 22 Ca 0.15 0.26 -0.35 0.00 -1.94 0.00 0.00 57.00 55.12 2qbc n GLN 22 Cb 0.53 -1.48 -0.04 0.00 0.11 0.00 0.00 30.24 29.36 2qbc n GLN 22 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2qbc s GLY 23 N -5.01 0.46 0.00 1.08 0.00 -1.26 -4.86 107.32 97.73 2qbc s GLY 23 Ca -0.30 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.10 2qbc s GLY 23 CO 0.43 3.21 0.00 2.41 0.00 0.00 0.00 173.10 179.16 2qbc n THR 24 N 7.27 0.00 -1.76 0.90 -1.04 -1.26 -2.43 114.28 115.96 2qbc n THR 24 Ca 0.27 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.87 2qbc n THR 24 Cb 0.50 -0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 2qbc n THR 24 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2qbc n ASP 25 N 0.00 3.48 -4.30 8.00 3.85 -1.26 -4.48 116.55 121.84 2qbc n ASP 25 Ca 0.00 1.20 -0.35 0.00 -0.71 0.00 0.00 54.79 54.93 2qbc n ASP 25 Cb 0.00 -1.59 0.08 0.00 -1.35 0.00 0.00 41.12 38.26 2qbc n ASP 25 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.20 177.52 2qbc n VAL 26 N 0.27 0.32 -2.09 2.12 0.24 -1.26 -4.96 118.33 112.95 2qbc n VAL 26 Ca 0.03 -0.33 -0.02 0.00 -2.04 0.00 0.00 64.34 61.98 2qbc n VAL 26 Cb 0.39 -0.43 -0.02 0.00 -1.47 0.00 0.00 33.84 32.31 2qbc n VAL 26 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2qbc n SER 27 N 0.44 -0.15 0.00 -1.34 7.64 -1.26 -4.89 113.62 114.06 2qbc n SER 27 Ca 0.05 -1.69 0.00 0.00 1.01 0.00 0.00 58.87 58.24 2qbc n SER 27 Cb 0.53 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 2qbc n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2qbc n PHE 28 N 0.09 0.00 -2.39 1.43 3.72 -1.26 -5.14 117.46 113.91 2qbc n PHE 28 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2qbc n PHE 28 Cb 0.72 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.26 2qbc n PHE 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qbc n GLY 29 N 0.00 5.44 0.00 1.37 0.00 -1.26 -4.96 105.19 105.78 2qbc n GLY 29 Ca 0.00 -1.33 0.02 0.00 0.00 0.00 0.00 46.02 44.71 2qbc n GLY 29 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qbc n SER 30 N 0.00 2.42 -0.01 1.61 7.64 -0.44 -4.69 113.62 120.14 2qbc n SER 30 Ca 0.00 -0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.64 2qbc n SER 30 Cb 0.00 1.13 0.00 0.00 -1.01 0.00 0.00 64.21 64.33 2qbc n SER 30 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2qbc n PHE 31 N -1.45 -0.00 0.00 1.43 3.01 -1.23 -0.46 117.46 118.76 2qbc n PHE 31 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2qbc n PHE 31 Cb 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 2qbc n PHE 31 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qbc n GLY 32 N 0.00 -0.43 3.64 1.37 0.00 -1.26 -2.64 105.19 105.87 2qbc n GLY 32 Ca 0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 2qbc n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbc s LEU 33 N 0.00 -0.63 0.24 0.99 1.43 -0.97 -4.59 118.68 115.16 2qbc s LEU 33 Ca 0.00 1.17 0.06 0.00 -1.03 0.00 0.00 54.13 54.33 2qbc s LEU 33 Cb 0.00 2.16 -0.03 0.00 0.03 0.00 0.00 46.19 48.35 2qbc s LEU 33 CO 0.00 -0.20 0.26 -0.75 0.23 0.00 0.00 176.35 175.89 2qbc s LYS 34 N 0.53 3.13 -0.03 1.70 2.47 -0.61 -1.32 119.74 125.61 2qbc s LYS 34 Ca -0.00 -0.92 -0.04 0.00 -1.56 0.00 0.00 55.97 53.44 2qbc s LYS 34 Cb -0.05 -2.70 -0.02 0.00 -1.46 0.00 0.00 37.83 33.60 2qbc s LYS 34 CO -0.05 0.42 0.30 0.00 0.16 0.00 0.00 175.35 176.17 2qbc h ALA 35 N 1.43 -0.28 0.00 3.13 0.00 -1.16 -3.20 119.26 119.18 2qbc h ALA 35 Ca -0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2qbc h ALA 35 Cb 1.23 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2qbc h ALA 35 CO 0.61 -0.27 0.00 0.28 0.00 0.00 0.00 179.25 179.87 2qbc n VAL 36 N -3.33 0.00 -4.37 0.00 0.31 -1.26 -3.93 118.33 105.75 2qbc n VAL 36 Ca -0.02 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.03 2qbc n VAL 36 Cb 0.06 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.86 2qbc n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2qbc s GLY 37 N 0.00 1.51 0.74 2.92 0.00 -1.26 -4.57 107.32 106.66 2qbc s GLY 37 Ca 0.00 -1.42 -0.11 0.00 0.00 0.00 0.00 44.72 43.18 2qbc s GLY 37 CO 0.00 -1.41 1.08 1.09 0.00 0.00 0.00 173.10 173.87 2qbc s ARG 38 N -2.03 2.57 0.00 2.90 1.70 -1.26 -3.76 118.95 119.08 2qbc s ARG 38 Ca 0.12 0.67 0.00 0.00 -0.47 0.00 0.00 55.73 56.05 2qbc s ARG 38 Cb -0.10 -1.97 0.00 0.00 -0.57 0.00 0.00 34.95 32.31 2qbc s ARG 38 CO 0.06 -1.28 0.00 0.41 -1.08 0.00 0.00 175.30 173.40 2qbc n GLY 39 N -2.35 -0.50 3.64 3.88 0.00 -0.40 -4.93 105.19 104.53 2qbc n GLY 39 Ca 0.07 -0.43 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 2qbc n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qbc s ARG 40 N -1.96 0.35 -0.27 1.61 1.70 -1.26 -2.93 118.95 116.19 2qbc s ARG 40 Ca 0.00 0.49 -0.09 0.00 -0.47 0.00 0.00 55.73 55.66 2qbc s ARG 40 Cb 0.00 0.13 -0.04 0.00 -0.57 0.00 0.00 34.95 34.47 2qbc s ARG 40 CO 0.00 -0.05 0.14 -0.51 -1.08 0.00 0.00 175.30 173.79 2qbc s LEU 41 N 0.64 3.77 0.00 -1.89 1.43 -0.23 -4.78 118.68 117.61 2qbc s LEU 41 Ca -0.01 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2qbc s LEU 41 Cb -0.04 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.14 2qbc s LEU 41 CO -0.11 -0.04 0.70 0.35 0.23 0.00 0.00 176.35 177.48 2qbc n THR 42 N 4.98 0.63 0.00 5.49 -2.24 -1.26 0.28 114.28 122.15 2qbc n THR 42 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2qbc n THR 42 Cb 0.52 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 2qbc n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qbc n ALA 43 N 0.52 0.00 -0.32 6.98 0.00 -1.21 -4.05 120.51 122.42 2qbc n ALA 43 Ca 0.00 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.80 2qbc n ALA 43 Cb 0.35 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.49 2qbc n ALA 43 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qbc h ARG 44 N 0.00 0.00 0.07 0.00 2.43 -1.89 0.45 114.38 115.44 2qbc h ARG 44 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qbc h ARG 44 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2qbc h ARG 44 CO 0.00 0.00 -0.03 1.96 -1.51 0.00 0.00 179.97 180.39 2qbc h GLN 45 N 0.00 -0.09 -1.00 0.20 4.20 -1.93 -1.65 115.11 114.84 2qbc h GLN 45 Ca 0.58 0.01 0.25 0.00 0.06 0.00 0.00 58.65 59.54 2qbc h GLN 45 Cb 2.60 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 30.32 2qbc h GLN 45 CO -0.01 0.15 0.66 -0.84 -0.67 0.00 0.00 178.83 178.12 2qbc h ILE 46 N -1.00 0.57 0.04 2.54 3.07 -0.69 0.55 117.51 122.59 2qbc h ILE 46 Ca -0.01 -0.13 -0.00 0.00 1.55 0.00 0.00 64.86 66.27 2qbc h ILE 46 Cb 0.28 0.16 0.00 0.00 -0.27 0.00 0.00 36.82 36.99 2qbc h ILE 46 CO 0.02 0.07 -0.02 -0.08 -1.05 0.00 0.00 178.15 177.09 2qbc h GLU 47 N 0.38 -0.05 -0.40 0.16 4.22 -0.42 0.12 114.58 118.59 2qbc h GLU 47 Ca 0.55 0.00 0.12 0.00 0.08 0.00 0.00 59.36 60.11 2qbc h GLU 47 Cb 1.43 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.67 2qbc h GLU 47 CO -0.24 0.53 0.29 0.00 -2.18 0.00 0.00 179.01 177.42 2qbc h ALA 48 N 0.22 2.36 0.07 2.92 0.00 0.18 -0.20 119.26 124.81 2qbc h ALA 48 Ca -0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2qbc h ALA 48 Cb 0.60 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.43 2qbc h ALA 48 CO 0.01 -0.50 -0.43 0.00 0.00 0.00 0.00 179.25 178.33 2qbc h ALA 49 N 1.79 -0.05 -0.54 0.00 0.00 0.08 -3.23 119.26 117.31 2qbc h ALA 49 Ca 0.19 -0.60 0.10 0.00 0.00 0.00 0.00 54.91 54.60 2qbc h ALA 49 Cb 0.78 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 2qbc h ALA 49 CO -0.00 0.20 0.06 -0.09 0.00 0.00 0.00 179.25 179.41 2qbc h ARG 50 N -0.65 0.17 0.17 0.00 2.43 0.52 0.59 114.38 117.61 2qbc h ARG 50 Ca -0.07 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2qbc h ARG 50 Cb 1.33 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 2qbc h ARG 50 CO 0.08 0.11 -0.20 0.00 -1.51 0.00 0.00 179.97 178.45 2qbc h ARG 51 N 0.18 -0.36 -0.87 0.20 3.08 -1.21 0.19 114.38 115.59 2qbc h ARG 51 Ca 0.28 0.02 0.21 0.00 0.07 0.00 0.00 59.98 60.57 2qbc h ARG 51 Cb 0.42 0.08 -0.13 0.00 0.08 0.00 0.00 29.97 30.43 2qbc h ARG 51 CO -0.41 -0.24 0.32 0.00 -1.07 0.00 0.00 179.97 178.57 2qbc h ALA 52 N -1.36 1.33 0.02 0.04 0.00 -1.52 0.37 119.26 118.13 2qbc h ALA 52 Ca -0.02 0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.10 2qbc h ALA 52 Cb 0.34 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 2qbc h ALA 52 CO -0.04 -0.37 -0.38 1.98 0.00 0.00 0.00 179.25 180.44 2qbc h MET 53 N 0.33 -0.52 0.22 0.00 1.85 -0.26 -2.54 114.93 114.01 2qbc h MET 53 Ca 0.54 0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.66 2qbc h MET 53 Cb 1.02 0.12 -0.01 0.00 0.43 0.00 0.00 31.60 33.16 2qbc h MET 53 CO -0.56 -0.35 -0.19 1.15 -0.40 0.00 0.00 176.91 176.57 2qbc h THR 54 N -0.54 0.60 -0.11 -0.77 2.02 0.22 -3.28 112.91 111.04 2qbc h THR 54 Ca 0.05 0.00 -0.47 0.00 0.77 0.00 0.00 66.41 66.76 2qbc h THR 54 Cb 0.62 0.60 0.05 0.00 -1.74 0.00 0.00 68.15 67.68 2qbc h THR 54 CO -0.28 0.00 1.46 -1.14 0.37 0.00 0.00 175.52 175.92 2qbc n ARG 55 N -5.31 0.92 0.00 6.66 0.63 0.10 0.02 116.66 119.68 2qbc n ARG 55 Ca -0.08 -1.73 0.00 0.00 -0.92 0.00 0.00 57.85 55.11 2qbc n ARG 55 Cb 0.22 -3.13 0.00 0.00 0.45 0.00 0.00 32.46 30.01 2qbc n ARG 55 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qbc n ALA 56 N 11.18 0.00 0.57 5.13 0.00 -1.24 -4.85 120.51 131.30 2qbc n ALA 56 Ca 0.47 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.95 2qbc n ALA 56 Cb 0.43 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.05 2qbc n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qbc n VAL 57 N 0.00 0.81 0.00 0.00 0.31 0.10 -4.94 118.33 114.61 2qbc n VAL 57 Ca 0.00 -0.55 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 2qbc n VAL 57 Cb 0.00 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 2qbc n VAL 57 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2qbc n LYS 58 N 0.45 0.00 0.00 5.55 4.01 -1.14 -1.61 118.16 125.42 2qbc n LYS 58 Ca 0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 2qbc n LYS 58 Cb 0.46 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.98 2qbc n LYS 58 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 2qbc n ARG 59 N 0.00 0.37 -1.28 1.97 0.00 -1.26 -4.81 116.66 111.65 2qbc n ARG 59 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 2qbc n ARG 59 Cb 0.00 -0.03 0.10 0.00 -0.00 0.00 0.00 32.46 32.53 2qbc n ARG 59 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2qbc s GLN 60 N -0.08 2.00 0.00 2.89 -2.07 -0.63 -4.87 119.66 116.89 2qbc s GLN 60 Ca 0.00 1.53 0.00 0.00 -1.82 0.00 0.00 55.36 55.07 2qbc s GLN 60 Cb 0.00 -1.84 0.00 0.00 -1.09 0.00 0.00 33.01 30.08 2qbc s GLN 60 CO 0.00 -1.89 0.00 0.41 -1.32 0.00 0.00 175.29 172.49 2qbc n GLY 61 N -0.12 -1.94 3.19 2.60 0.00 -0.51 -4.86 105.19 103.55 2qbc n GLY 61 Ca 0.12 -1.51 -0.27 0.00 0.00 0.00 0.00 46.02 44.36 2qbc n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbc s LYS 62 N -2.14 1.75 0.29 1.61 2.20 -1.26 -4.79 119.74 117.41 2qbc s LYS 62 Ca 0.00 -0.69 0.09 0.00 -0.36 0.00 0.00 55.97 55.01 2qbc s LYS 62 Cb 0.00 -1.61 -0.04 0.00 -1.51 0.00 0.00 37.83 34.67 2qbc s LYS 62 CO 0.00 0.36 0.02 0.42 -0.36 0.00 0.00 175.35 175.80 2qbc s ILE 63 N -0.27 3.22 0.02 5.43 1.09 -1.26 -3.32 121.20 126.11 2qbc s ILE 63 Ca 0.03 -1.89 0.00 0.00 -1.10 0.00 0.00 60.65 57.69 2qbc s ILE 63 Cb -0.09 -2.85 -0.02 0.00 -1.06 0.00 0.00 42.46 38.43 2qbc s ILE 63 CO 0.01 -0.31 -0.03 0.26 -0.10 0.00 0.00 174.94 174.77 2qbc s TRP 64 N -2.38 0.25 -0.51 3.97 0.51 -0.68 -4.92 118.94 115.18 2qbc s TRP 64 Ca 0.33 -0.47 0.04 0.00 -2.12 0.00 0.00 56.10 53.88 2qbc s TRP 64 Cb -0.05 -0.18 0.16 0.00 -0.81 0.00 0.00 33.47 32.60 2qbc s TRP 64 CO 0.20 -0.17 0.36 0.42 -0.51 0.00 0.00 176.95 177.25 2qbc s ILE 65 N -1.30 1.47 -1.22 2.03 1.09 -1.26 -2.14 121.20 119.88 2qbc s ILE 65 Ca -0.14 -3.13 0.12 0.00 -1.10 0.00 0.00 60.65 56.40 2qbc s ILE 65 Cb -0.09 -2.00 0.16 0.00 -1.06 0.00 0.00 42.46 39.47 2qbc s ILE 65 CO -0.01 -1.06 1.35 0.54 -0.10 0.00 0.00 174.94 175.66 2qbc n ARG 66 N 2.79 0.09 -3.73 2.79 1.74 -1.04 -4.69 116.66 114.61 2qbc n ARG 66 Ca 0.20 0.23 -0.34 0.00 -0.77 0.00 0.00 57.85 57.17 2qbc n ARG 66 Cb 0.40 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 2qbc n ARG 66 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2qbc s VAL 67 N -2.78 5.25 -0.04 1.55 -7.23 -1.25 -5.00 120.40 110.91 2qbc s VAL 67 Ca 0.09 0.16 -0.07 0.00 -1.81 0.00 0.00 61.98 60.35 2qbc s VAL 67 Cb 0.08 -3.59 0.01 0.00 0.56 0.00 0.00 36.38 33.44 2qbc s VAL 67 CO 0.20 0.30 0.17 0.12 -0.31 0.00 0.00 175.10 175.58 2qbc s PHE 68 N -1.38 -0.12 0.00 2.82 5.36 -1.26 -5.12 117.98 118.29 2qbc s PHE 68 Ca 0.31 0.27 0.00 0.00 -0.96 0.00 0.00 56.93 56.55 2qbc s PHE 68 Cb -0.13 0.03 0.00 0.00 -0.34 0.00 0.00 43.02 42.58 2qbc s PHE 68 CO 0.18 -0.17 0.25 -0.35 -1.46 0.00 0.00 175.22 173.67 2qbc n PRO 69 N 2.40 0.00 0.00 10.12 -0.04 -1.26 -4.34 135.00 141.88 2qbc n PRO 69 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2qbc n PRO 69 Cb 0.58 -0.72 0.00 0.00 -0.04 0.00 0.00 33.50 33.32 2qbc n PRO 69 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2qbc n ASP 70 N -0.28 0.00 -4.60 3.54 5.68 -1.25 -4.05 116.55 115.58 2qbc n ASP 70 Ca 0.00 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.88 2qbc n ASP 70 Cb 0.00 -0.29 -0.07 0.00 -1.14 0.00 0.00 41.12 39.62 2qbc n ASP 70 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2qbc s LYS 71 N 0.00 3.92 0.00 0.11 2.20 -0.84 -4.97 119.74 120.16 2qbc s LYS 71 Ca 0.00 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 2qbc s LYS 71 Cb 0.00 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.61 2qbc s LYS 71 CO 0.00 -0.51 0.53 -2.30 -0.36 0.00 0.00 175.35 172.70 2qbc n PRO 72 N 5.76 0.00 -1.99 4.03 -0.02 -1.26 0.02 135.00 141.54 2qbc n PRO 72 Ca -0.02 0.24 -0.01 0.00 -2.02 0.00 0.00 63.50 61.68 2qbc n PRO 72 Cb 0.49 -1.03 -0.01 0.00 -0.02 0.00 0.00 33.50 32.93 2qbc n PRO 72 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2qbc n ILE 73 N -0.80 -6.82 0.00 4.25 2.08 -1.26 -3.64 119.36 113.18 2qbc n ILE 73 Ca 0.00 1.01 0.00 0.00 0.56 0.00 0.00 62.75 64.32 2qbc n ILE 73 Cb 0.00 -5.02 0.00 0.00 -0.75 0.00 0.00 39.64 33.87 2qbc n ILE 73 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2qbc n THR 74 N 0.53 0.00 0.00 1.39 -2.24 -1.26 -3.44 114.28 109.26 2qbc n THR 74 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2qbc n THR 74 Cb 0.15 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 2qbc n THR 74 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2qbc n GLU 75 N 0.00 0.00 -3.48 -0.78 2.13 -1.14 -4.59 120.64 112.77 2qbc n GLU 75 Ca 0.00 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.45 2qbc n GLU 75 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 2qbc n GLU 75 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2qbc s LYS 76 N -1.20 4.11 1.10 5.31 -0.14 -1.26 -4.01 119.74 123.65 2qbc s LYS 76 Ca 0.00 0.29 -0.15 0.00 -1.36 0.00 0.00 55.97 54.75 2qbc s LYS 76 Cb 0.00 -3.34 0.23 0.00 -1.68 0.00 0.00 37.83 33.04 2qbc s LYS 76 CO 0.00 0.42 0.51 -2.30 -0.76 0.00 0.00 175.35 173.21 2qbc n PRO 77 N 2.86 -2.94 0.00 -1.68 -0.02 -1.26 -5.00 135.00 126.96 2qbc n PRO 77 Ca -0.12 -0.87 0.00 0.00 -2.02 0.00 0.00 63.50 60.49 2qbc n PRO 77 Cb 0.52 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 2qbc n PRO 77 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2qbc n LEU 78 N -2.33 0.00 -4.55 2.45 4.32 -1.26 -4.51 117.00 111.11 2qbc n LEU 78 Ca 0.08 0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 55.71 2qbc n LEU 78 Cb 0.38 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.15 2qbc n LEU 78 CO 0.25 0.00 1.78 0.00 -1.22 0.00 0.00 177.39 178.20 2qbc s ALA 79 N -2.07 1.83 -0.29 -1.18 0.00 -1.26 -4.87 121.76 113.92 2qbc s ALA 79 Ca 0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 51.96 51.44 2qbc s ALA 79 Cb 0.00 -4.35 0.13 0.00 0.00 0.00 0.00 23.12 18.90 2qbc s ALA 79 CO 0.00 -4.30 0.83 0.54 0.00 0.00 0.00 175.76 172.83 2qbc s VAL 80 N 10.86 -0.39 0.90 0.00 0.11 -1.26 -5.16 120.40 125.45 2qbc s VAL 80 Ca 0.83 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.75 2qbc s VAL 80 Cb -0.14 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.75 2qbc s VAL 80 CO 0.22 0.00 0.58 0.54 -3.33 0.00 0.00 175.10 173.11 2qbc n ARG 81 N 4.63 -0.16 -0.45 1.54 3.00 -1.26 -4.98 116.66 118.98 2qbc n ARG 81 Ca -0.15 0.00 -0.09 0.00 -0.01 0.00 0.00 57.85 57.60 2qbc n ARG 81 Cb 0.54 -1.96 0.07 0.00 0.00 0.00 0.00 32.46 31.11 2qbc n ARG 81 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 2qbc n MET 82 N -1.96 -1.09 -1.46 5.56 2.81 -1.26 -4.70 117.12 115.02 2qbc n MET 82 Ca 0.08 -0.59 0.00 0.00 -1.81 0.00 0.00 57.70 55.38 2qbc n MET 82 Cb 0.52 -0.47 0.00 0.00 -0.71 0.00 0.00 33.22 32.56 2qbc n MET 82 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qbc n GLY 83 N 1.17 0.00 0.00 3.03 0.00 -1.26 -4.87 105.19 103.25 2qbc n GLY 83 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2qbc n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbc n LYS 84 N 0.98 0.00 0.00 1.61 4.76 -1.26 -5.13 118.16 119.12 2qbc n LYS 84 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2qbc n LYS 84 Cb 0.15 -0.01 0.00 0.00 -1.84 0.00 0.00 35.03 33.33 2qbc n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbc n GLY 85 N 0.00 4.55 3.68 0.72 0.00 -1.26 -5.06 105.19 107.81 2qbc n GLY 85 Ca 0.00 -0.96 -0.53 0.00 0.00 0.00 0.00 46.02 44.53 2qbc n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qbc n LYS 86 N -1.05 1.60 -1.20 1.61 4.81 -1.26 -4.86 118.16 117.81 2qbc n LYS 86 Ca 0.00 0.58 -0.36 0.00 -0.87 0.00 0.00 58.31 57.66 2qbc n LYS 86 Cb 0.00 -2.38 0.07 0.00 0.02 0.00 0.00 35.03 32.74 2qbc n LYS 86 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qbc n GLY 87 N 4.53 -1.73 3.68 3.14 0.00 -1.26 -4.93 105.19 108.61 2qbc n GLY 87 Ca 0.26 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 2qbc n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbc s ASN 88 N -1.51 3.09 0.38 1.61 2.20 -1.26 -4.37 114.94 115.08 2qbc s ASN 88 Ca 0.63 2.03 -0.27 0.00 -0.94 0.00 0.00 52.86 54.32 2qbc s ASN 88 Cb -0.33 -2.52 -0.09 0.00 -2.00 0.00 0.00 41.25 36.31 2qbc s ASN 88 CO 0.60 -2.97 1.28 -0.69 -2.94 0.00 0.00 177.10 172.38 2qbc s VAL 89 N -2.70 2.76 -0.04 3.54 1.01 -1.26 -2.90 120.40 120.81 2qbc s VAL 89 Ca 0.66 0.71 -0.08 0.00 0.00 0.00 0.00 61.98 63.26 2qbc s VAL 89 Cb -0.22 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 2qbc s VAL 89 CO 0.58 0.12 -0.16 1.21 0.00 0.00 0.00 175.10 176.85 2qbc n GLU 90 N 0.38 0.25 -0.09 2.72 4.07 -1.22 -4.91 120.64 121.84 2qbc n GLU 90 Ca 0.02 0.10 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 2qbc n GLU 90 Cb 0.43 -0.93 0.00 0.00 -0.06 0.00 0.00 31.44 30.89 2qbc n GLU 90 CO 0.00 0.00 0.00 2.48 -0.06 0.00 0.00 177.13 179.55 2qbc n TYR 91 N -3.88 0.00 -3.66 4.31 4.11 -1.25 -5.11 117.16 111.69 2qbc n TYR 91 Ca -0.09 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 57.61 2qbc n TYR 91 Cb 0.31 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.48 2qbc n TYR 91 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 2qbc s TRP 92 N -0.51 -0.01 0.21 -3.48 0.52 -1.24 -4.39 118.94 110.05 2qbc s TRP 92 Ca 0.00 0.30 0.06 0.00 0.02 0.00 0.00 56.10 56.48 2qbc s TRP 92 Cb 0.00 -0.44 -0.04 0.00 -1.15 0.00 0.00 33.47 31.85 2qbc s TRP 92 CO 0.00 -0.26 0.20 0.54 0.02 0.00 0.00 176.95 177.45 2qbc s VAL 93 N 2.21 4.60 -0.43 4.03 0.11 0.10 -3.34 120.40 127.68 2qbc s VAL 93 Ca 0.04 -1.21 0.00 0.00 -2.93 0.00 0.00 61.98 57.89 2qbc s VAL 93 Cb -0.13 -3.43 0.12 0.00 -1.53 0.00 0.00 36.38 31.41 2qbc s VAL 93 CO -0.05 -0.25 0.20 0.00 -3.33 0.00 0.00 175.10 171.67 2qbc s ALA 94 N -1.97 3.16 -0.22 1.54 0.00 0.78 -1.99 121.76 123.07 2qbc s ALA 94 Ca 0.32 -2.74 -0.29 0.00 0.00 0.00 0.00 51.96 49.25 2qbc s ALA 94 Cb -0.09 -2.28 -0.06 0.00 0.00 0.00 0.00 23.12 20.70 2qbc s ALA 94 CO 0.25 -1.84 2.21 1.28 0.00 0.00 0.00 175.76 177.66 2qbc n LEU 95 N 4.12 3.18 -4.32 0.00 4.32 -1.26 -1.07 117.00 121.98 2qbc n LEU 95 Ca 0.02 0.26 -0.24 0.00 -0.02 0.00 0.00 56.01 56.04 2qbc n LEU 95 Cb 0.40 -1.52 -0.12 0.00 -1.62 0.00 0.00 43.42 40.55 2qbc n LEU 95 CO 0.30 -0.65 -0.51 0.27 -1.22 0.00 0.00 177.39 175.58 2qbc s ILE 96 N 8.01 1.83 0.17 -0.08 -4.36 -1.15 -4.98 121.20 120.64 2qbc s ILE 96 Ca 1.01 -1.70 0.01 0.00 -0.26 0.00 0.00 60.65 59.71 2qbc s ILE 96 Cb -0.40 -1.72 -0.04 0.00 1.25 0.00 0.00 42.46 41.55 2qbc s ILE 96 CO 0.37 -0.13 0.04 0.00 0.24 0.00 0.00 174.94 175.46 2qbc s GLN 97 N -2.24 1.09 0.10 0.37 0.00 -1.26 -1.28 119.66 116.45 2qbc s GLN 97 Ca 0.11 -1.54 -0.35 0.00 -0.00 0.00 0.00 55.36 53.57 2qbc s GLN 97 Cb -0.09 -0.08 -0.17 0.00 0.00 0.00 0.00 33.01 32.67 2qbc s GLN 97 CO 0.05 -0.21 1.14 -2.30 0.00 0.00 0.00 175.29 173.98 2qbc n PRO 98 N -0.23 0.77 -0.69 9.60 -0.02 -1.25 -2.54 135.00 140.66 2qbc n PRO 98 Ca -0.05 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2qbc n PRO 98 Cb 0.64 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 2qbc n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qbc n GLY 99 N 2.04 0.94 3.94 -1.23 0.00 -1.26 -0.92 105.19 108.69 2qbc n GLY 99 Ca 0.18 -0.48 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 2qbc n GLY 99 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbc s LYS 100 N -1.62 3.42 -0.57 1.61 2.36 -1.05 -4.04 119.74 119.86 2qbc s LYS 100 Ca 0.00 -0.58 -0.12 0.00 -2.55 0.00 0.00 55.97 52.72 2qbc s LYS 100 Cb 0.00 -2.97 0.14 0.00 -1.05 0.00 0.00 37.83 33.95 2qbc s LYS 100 CO 0.00 0.54 0.48 0.54 1.55 0.00 0.00 175.35 178.46 2qbc s VAL 101 N -1.70 4.77 0.01 4.02 0.11 -1.02 -0.64 120.40 125.96 2qbc s VAL 101 Ca 0.34 -1.89 -0.10 0.00 -2.93 0.00 0.00 61.98 57.41 2qbc s VAL 101 Cb -0.11 -4.07 -0.05 0.00 -1.53 0.00 0.00 36.38 30.61 2qbc s VAL 101 CO 0.28 -0.86 0.95 -0.07 -3.33 0.00 0.00 175.10 172.07 2qbc h LEU 102 N 8.39 -0.29 0.00 2.54 -0.00 -1.52 -3.35 115.31 121.08 2qbc h LEU 102 Ca -0.17 0.01 -0.39 0.00 -0.00 0.00 0.00 57.88 57.32 2qbc h LEU 102 Cb 1.07 0.08 -0.09 0.00 -0.00 0.00 0.00 40.66 41.72 2qbc h LEU 102 CO 0.90 -0.18 -0.33 -1.22 -0.00 0.00 0.00 178.44 177.60 2qbc n TYR 103 N -3.11 0.06 -3.69 1.13 4.02 -1.26 -2.48 117.16 111.83 2qbc n TYR 103 Ca -0.04 -1.88 -0.11 0.00 -0.01 0.00 0.00 57.90 55.85 2qbc n TYR 103 Cb 0.14 0.01 -0.10 0.00 -0.02 0.00 0.00 39.34 39.37 2qbc n TYR 103 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2qbc s GLU 104 N -3.11 0.51 0.52 -0.72 2.02 -0.91 -2.29 118.70 114.73 2qbc s GLU 104 Ca 0.15 0.79 0.06 0.00 0.02 0.00 0.00 54.97 56.00 2qbc s GLU 104 Cb 0.01 0.13 0.06 0.00 0.10 0.00 0.00 34.13 34.43 2qbc s GLU 104 CO 0.11 -0.12 0.52 -0.12 0.02 0.00 0.00 175.26 175.68 2qbc n MET 105 N 3.62 0.70 0.00 1.61 1.56 -1.08 -1.68 117.12 121.84 2qbc n MET 105 Ca -0.18 -3.06 0.00 0.00 -0.27 0.00 0.00 57.70 54.19 2qbc n MET 105 Cb 0.56 0.11 0.00 0.00 2.15 0.00 0.00 33.22 36.05 2qbc n MET 105 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2qbc n ASP 106 N -2.06 0.00 -2.69 6.12 2.03 -1.21 -1.33 116.55 117.41 2qbc n ASP 106 Ca 0.05 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.28 2qbc n ASP 106 Cb 0.57 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.93 2qbc n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qbc n GLY 107 N -0.37 2.06 3.55 0.27 0.00 -1.26 -4.69 105.19 104.75 2qbc n GLY 107 Ca 0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 2qbc n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbc s VAL 108 N 3.13 0.00 0.41 1.61 0.11 -1.26 -1.42 120.40 122.98 2qbc s VAL 108 Ca 0.23 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 59.04 2qbc s VAL 108 Cb 0.08 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.82 2qbc s VAL 108 CO -0.01 0.00 0.74 -2.65 -3.33 0.00 0.00 175.10 169.85 2qbc n PRO 109 N 1.17 0.86 0.28 1.54 -0.02 -1.26 -4.66 135.00 132.90 2qbc n PRO 109 Ca -0.17 0.31 0.19 0.00 -2.02 0.00 0.00 63.50 61.81 2qbc n PRO 109 Cb 0.57 -1.70 0.91 0.00 -0.02 0.00 0.00 33.50 33.26 2qbc n PRO 109 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2qbc h GLU 110 N 1.11 0.00 -0.01 -0.52 4.11 -2.00 0.20 114.58 117.48 2qbc h GLU 110 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 2qbc h GLU 110 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 2qbc h GLU 110 CO 0.54 0.00 -0.35 0.39 0.07 0.00 0.00 179.01 179.66 2qbc n GLU 111 N -2.90 0.56 -0.13 1.06 -0.58 -1.26 -3.46 120.64 113.93 2qbc n GLU 111 Ca -0.01 -0.33 -0.27 0.00 -0.42 0.00 0.00 57.16 56.13 2qbc n GLU 111 Cb 0.15 -1.49 -0.10 0.00 -0.57 0.00 0.00 31.44 29.43 2qbc n GLU 111 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2qbc n LEU 112 N -0.93 1.93 -0.11 -4.62 -0.00 0.57 -3.58 117.00 110.27 2qbc n LEU 112 Ca 0.10 0.36 -0.07 0.00 -0.00 0.00 0.00 56.01 56.41 2qbc n LEU 112 Cb 0.34 -0.85 -0.00 0.00 -0.00 0.00 0.00 43.42 42.92 2qbc n LEU 112 CO 0.29 0.45 0.68 0.00 -0.00 0.00 0.00 177.39 178.81 2qbc h ALA 113 N -0.89 -0.04 -0.18 1.96 0.00 -1.30 -0.10 119.26 118.70 2qbc h ALA 113 Ca -0.58 0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.49 2qbc h ALA 113 Cb 1.50 0.57 -0.05 0.00 0.00 0.00 0.00 17.79 19.82 2qbc h ALA 113 CO -0.35 -0.64 -0.12 -0.09 0.00 0.00 0.00 179.25 178.04 2qbc h ARG 114 N -0.20 -0.12 -3.92 0.00 2.43 -1.77 -1.74 114.38 109.06 2qbc h ARG 114 Ca 0.18 0.01 -0.73 0.00 -0.81 0.00 0.00 59.98 58.63 2qbc h ARG 114 Cb 0.48 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 29.96 2qbc h ARG 114 CO -0.49 -0.08 2.46 -1.91 -1.51 0.00 0.00 179.97 178.43 2qbc n GLU 115 N -5.28 3.27 0.00 0.20 0.00 -0.06 -2.91 120.64 115.85 2qbc n GLU 115 Ca -0.02 -3.15 0.00 0.00 0.00 0.00 0.00 57.16 53.99 2qbc n GLU 115 Cb 0.20 -3.12 0.00 0.00 0.00 0.00 0.00 31.44 28.52 2qbc n GLU 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qbc n ALA 116 N 5.15 0.00 0.27 4.31 0.00 -1.06 -4.78 120.51 124.41 2qbc n ALA 116 Ca 0.45 0.00 0.16 0.00 0.00 0.00 0.00 53.44 54.05 2qbc n ALA 116 Cb 0.38 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.53 2qbc n ALA 116 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2qbc h PHE 117 N 0.00 0.00 0.13 0.00 0.04 -1.25 0.07 116.94 115.94 2qbc h PHE 117 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2qbc h PHE 117 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2qbc h PHE 117 CO 0.00 0.05 -0.06 -0.22 -0.60 0.00 0.00 178.31 177.47 2qbc h LYS 118 N 0.00 -0.17 0.00 1.51 3.64 -1.78 0.91 116.57 120.67 2qbc h LYS 118 Ca -0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2qbc h LYS 118 Cb 0.49 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2qbc h LYS 118 CO 0.01 0.28 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.39 2qbc h LEU 119 N -0.77 0.00 0.00 5.20 3.38 -1.76 0.02 115.31 121.39 2qbc h LEU 119 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2qbc h LEU 119 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2qbc h LEU 119 CO 0.03 0.01 -0.09 0.00 0.09 0.00 0.00 178.44 178.48 2qbc h ALA 120 N 1.99 0.00 0.00 1.53 0.00 -0.71 -3.32 119.26 118.76 2qbc h ALA 120 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2qbc h ALA 120 Cb 0.08 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2qbc h ALA 120 CO 0.00 0.09 0.33 0.00 0.00 0.00 0.00 179.25 179.67 2qbc h ALA 121 N -1.30 1.28 -0.80 0.00 0.00 0.11 0.22 119.26 118.76 2qbc h ALA 121 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.09 2qbc h ALA 121 Cb 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2qbc h ALA 121 CO 0.00 -0.28 0.54 0.00 0.00 0.00 0.00 179.25 179.51 2qbc h ALA 122 N 1.25 2.30 0.00 0.00 0.00 -1.08 -2.98 119.26 118.75 2qbc h ALA 122 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qbc h ALA 122 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2qbc h ALA 122 CO 0.00 -0.53 -0.01 0.87 0.00 0.00 0.00 179.25 179.58 2qbc h LYS 123 N 0.30 0.00 -2.01 0.00 1.79 -0.76 -3.47 116.57 112.41 2qbc h LYS 123 Ca 0.40 0.00 -0.27 0.00 -2.18 0.00 0.00 60.65 58.60 2qbc h LYS 123 Cb 1.10 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.77 2qbc h LYS 123 CO -0.11 0.00 0.06 1.28 -1.08 0.00 0.00 179.45 179.61 2qbc n LEU 124 N -2.28 0.08 -0.31 2.94 4.77 -1.13 -4.83 117.00 116.25 2qbc n LEU 124 Ca -0.00 0.39 -0.05 0.00 -0.03 0.00 0.00 56.01 56.32 2qbc n LEU 124 Cb 0.00 -0.31 0.07 0.00 -2.33 0.00 0.00 43.42 40.86 2qbc n LEU 124 CO 0.00 -0.57 1.12 -0.65 -1.33 0.00 0.00 177.39 175.96 2qbc h PRO 125 N 1.15 1.20 -7.20 3.23 0.11 -1.91 -3.44 132.00 125.13 2qbc h PRO 125 Ca -0.17 -0.17 -0.50 0.00 0.11 0.00 0.00 66.00 65.28 2qbc h PRO 125 Cb 0.48 -0.22 0.08 0.00 0.11 0.00 0.00 31.00 31.44 2qbc h PRO 125 CO 0.24 0.91 0.38 0.42 -0.21 0.00 0.00 178.00 179.74 2qbc s ILE 126 N -5.73 3.63 -0.56 4.15 1.09 -1.26 -4.99 121.20 117.53 2qbc s ILE 126 Ca -0.13 0.76 -0.22 0.00 -1.10 0.00 0.00 60.65 59.96 2qbc s ILE 126 Cb 0.16 -3.29 0.05 0.00 -1.06 0.00 0.00 42.46 38.32 2qbc s ILE 126 CO 0.83 -0.46 0.86 -0.54 -0.10 0.00 0.00 174.94 175.53 2qbc s LYS 127 N -4.09 3.23 0.20 2.79 3.01 -1.26 -5.02 119.74 118.59 2qbc s LYS 127 Ca 0.65 -0.56 0.04 0.00 -1.01 0.00 0.00 55.97 55.09 2qbc s LYS 127 Cb -0.17 -4.10 -0.03 0.00 -1.01 0.00 0.00 37.83 32.51 2qbc s LYS 127 CO 0.39 -1.48 0.33 0.95 0.51 0.00 0.00 175.35 176.04 2qbc s THR 128 N 3.60 5.29 0.34 2.17 -4.23 -1.25 -4.06 115.64 117.49 2qbc s THR 128 Ca 0.24 -0.84 0.06 0.00 -1.18 0.00 0.00 61.69 59.97 2qbc s THR 128 Cb -0.15 -3.80 -0.07 0.00 1.34 0.00 0.00 72.50 69.82 2qbc s THR 128 CO 0.15 -0.22 -0.00 0.28 -0.54 0.00 0.00 174.62 174.29 2qbc s THR 129 N -1.87 1.64 0.33 3.99 -1.32 -1.21 -4.92 115.64 112.27 2qbc s THR 129 Ca 0.34 -2.05 -0.06 0.00 -1.21 0.00 0.00 61.69 58.71 2qbc s THR 129 Cb -0.10 -2.74 -0.05 0.00 -1.51 0.00 0.00 72.50 68.10 2qbc s THR 129 CO 0.29 -0.11 0.61 0.12 -2.21 0.00 0.00 174.62 173.33 2qbc s PHE 130 N -2.99 3.48 0.00 9.09 5.36 -1.26 -1.58 117.98 130.08 2qbc s PHE 130 Ca 0.34 0.73 0.00 0.00 -0.96 0.00 0.00 56.93 57.04 2qbc s PHE 130 Cb 0.07 -2.18 0.00 0.00 -0.34 0.00 0.00 43.02 40.57 2qbc s PHE 130 CO 0.15 0.08 0.00 0.28 -1.46 0.00 0.00 175.22 174.28 2qbc n VAL 131 N -1.11 0.00 -4.00 3.12 0.31 -1.26 -4.87 118.33 110.51 2qbc n VAL 131 Ca -0.01 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.26 2qbc n VAL 131 Cb 0.54 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.45 2qbc n VAL 131 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 2qbc n THR 132 N 0.00 0.00 0.11 2.52 -2.24 -1.26 -4.43 114.28 108.98 2qbc n THR 132 Ca 0.00 -0.78 -0.06 0.00 -2.27 0.00 0.00 64.05 60.94 2qbc n THR 132 Cb 0.00 0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 2qbc n THR 132 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2qbc h LYS 133 N 0.00 -0.35 -3.53 -0.78 3.64 -1.04 -3.39 116.57 111.12 2qbc h LYS 133 Ca -0.08 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2qbc h LYS 133 Cb 0.41 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2qbc h LYS 133 CO 0.12 -0.23 -0.82 2.41 -2.27 0.00 0.00 179.45 178.66 2qbc n THR 134 N -4.62 -5.68 1.91 1.00 -1.04 -1.26 -4.53 114.28 100.06 2qbc n THR 134 Ca -0.04 2.32 0.16 0.00 -2.04 0.00 0.00 64.05 64.44 2qbc n THR 134 Cb 0.14 -3.27 0.92 0.00 -1.82 0.00 0.00 70.33 66.30 2qbc n THR 134 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2qbc n VAL 135 N 0.48 0.00 0.00 12.58 0.31 -1.26 -5.01 118.33 125.43 2qbc n VAL 135 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2qbc n VAL 135 Cb 0.00 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 2qbc n VAL 135 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31