#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk s LEU 2 N 0.00 -1.23 0.17 -0.89 2.96 -1.26 -5.07 118.68 113.36 2qbk s LEU 2 Ca 0.00 -0.75 -0.02 0.00 -0.22 0.00 0.00 54.13 53.13 2qbk s LEU 2 Cb 0.00 1.58 -0.03 0.00 0.50 0.00 0.00 46.19 48.23 2qbk s LEU 2 CO 0.00 -0.12 0.13 0.00 -1.32 0.00 0.00 176.35 175.04 2qbk s GLN 3 N 1.72 1.11 0.31 1.98 -2.07 -1.26 -4.72 119.66 116.72 2qbk s GLN 3 Ca 0.18 -1.49 -0.29 0.00 -1.82 0.00 0.00 55.36 51.94 2qbk s GLN 3 Cb -0.01 0.28 -0.11 0.00 -1.09 0.00 0.00 33.01 32.08 2qbk s GLN 3 CO -0.09 -0.36 1.49 -2.14 -1.32 0.00 0.00 175.29 172.88 2qbk s PRO 4 N -4.09 4.18 0.42 9.60 0.02 -1.26 -4.91 135.00 138.96 2qbk s PRO 4 Ca 0.30 2.46 0.23 0.00 0.02 0.00 0.00 61.00 64.01 2qbk s PRO 4 Cb 0.06 -3.04 0.78 0.00 0.02 0.00 0.00 34.50 32.33 2qbk s PRO 4 CO 0.07 -0.50 1.77 0.87 -0.33 0.00 0.00 177.00 178.87 2qbk h LYS 5 N 4.26 0.00 -2.29 5.54 1.79 -2.05 -3.45 116.57 120.37 2qbk h LYS 5 Ca -0.48 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 57.92 2qbk h LYS 5 Cb 1.22 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.66 2qbk h LYS 5 CO 0.73 0.25 0.01 0.50 -1.08 0.00 0.00 179.45 179.86 2qbk s ARG 6 N -3.54 0.76 -0.02 3.15 3.52 -1.26 -5.16 118.95 116.39 2qbk s ARG 6 Ca 0.01 0.66 -0.01 0.00 -0.13 0.00 0.00 55.73 56.26 2qbk s ARG 6 Cb 0.10 0.37 0.01 0.00 -1.56 0.00 0.00 34.95 33.87 2qbk s ARG 6 CO 0.65 -0.13 0.05 0.95 -0.81 0.00 0.00 175.30 176.01 2qbk s THR 7 N -0.07 -0.02 -1.00 4.11 -4.23 -1.26 -5.02 115.64 108.15 2qbk s THR 7 Ca -0.03 0.07 0.16 0.00 -1.18 0.00 0.00 61.69 60.70 2qbk s THR 7 Cb -0.04 -0.09 0.13 0.00 1.34 0.00 0.00 72.50 73.84 2qbk s THR 7 CO 0.03 0.03 1.51 1.17 -0.54 0.00 0.00 174.62 176.81 2qbk n LYS 8 N 3.42 0.00 -3.63 3.99 3.00 -1.26 -4.53 118.16 119.15 2qbk n LYS 8 Ca -0.17 0.23 -0.15 0.00 -0.00 0.00 0.00 58.31 58.22 2qbk n LYS 8 Cb 0.57 -1.50 -0.14 0.00 0.00 0.00 0.00 35.03 33.96 2qbk n LYS 8 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2qbk s PHE 9 N -3.00 -0.35 0.52 5.64 0.08 -1.26 -5.04 117.98 114.57 2qbk s PHE 9 Ca 0.08 0.77 0.22 0.00 0.12 0.00 0.00 56.93 58.12 2qbk s PHE 9 Cb 0.10 -0.14 1.46 0.00 -0.57 0.00 0.00 43.02 43.88 2qbk s PHE 9 CO 0.29 -0.38 2.15 -0.09 -0.10 0.00 0.00 175.22 177.09 2qbk h ARG 10 N 8.31 0.00 -3.64 0.44 2.43 -2.03 -3.42 114.38 116.46 2qbk h ARG 10 Ca -0.14 0.00 -0.40 0.00 -0.81 0.00 0.00 59.98 58.63 2qbk h ARG 10 Cb 1.12 0.00 -0.37 0.00 -0.42 0.00 0.00 29.97 30.30 2qbk h ARG 10 CO 0.16 0.05 -0.76 0.15 -1.51 0.00 0.00 179.97 178.06 2qbk s LYS 11 N -4.72 0.40 0.12 0.20 1.02 -1.26 -4.81 119.74 110.70 2qbk s LYS 11 Ca -0.05 0.14 -0.03 0.00 0.02 0.00 0.00 55.97 56.06 2qbk s LYS 11 Cb 0.16 -0.74 -0.05 0.00 -0.52 0.00 0.00 37.83 36.67 2qbk s LYS 11 CO 0.62 -0.25 0.32 1.41 -0.92 0.00 0.00 175.35 176.53 2qbk s MET 12 N 1.70 3.55 0.71 1.68 1.75 -1.26 -5.08 119.30 122.35 2qbk s MET 12 Ca 0.00 -0.22 -0.11 0.00 -1.25 0.00 0.00 55.69 54.11 2qbk s MET 12 Cb -0.13 -2.91 0.17 0.00 2.84 0.00 0.00 34.83 34.81 2qbk s MET 12 CO -0.03 0.51 0.39 0.72 -0.65 0.00 0.00 175.02 175.95 2qbk n HIS 13 N 0.09 -2.61 0.02 4.11 8.25 -1.26 -4.62 115.22 119.20 2qbk n HIS 13 Ca -0.03 -0.31 -0.02 0.00 -0.26 0.00 0.00 57.72 57.09 2qbk n HIS 13 Cb 0.52 -0.68 -0.01 0.00 1.12 0.00 0.00 29.99 30.94 2qbk n HIS 13 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2qbk h LYS 14 N 0.00 -0.11 0.00 -0.41 3.64 -2.06 -3.46 116.57 114.18 2qbk h LYS 14 Ca -0.18 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.23 2qbk h LYS 14 Cb 0.60 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2qbk h LYS 14 CO 0.11 -0.07 -0.03 0.41 -2.27 0.00 0.00 179.45 177.59 2qbk n GLY 15 N 1.40 -1.49 3.56 5.01 0.00 -1.26 -5.03 105.19 107.38 2qbk n GLY 15 Ca -0.01 -1.19 -0.07 0.00 0.00 0.00 0.00 46.02 44.74 2qbk n GLY 15 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qbk s ARG 16 N -0.16 0.94 0.61 1.61 1.70 -1.26 -5.18 118.95 117.21 2qbk s ARG 16 Ca 0.00 -0.40 -0.07 0.00 -0.47 0.00 0.00 55.73 54.79 2qbk s ARG 16 Cb 0.00 0.40 0.01 0.00 -0.57 0.00 0.00 34.95 34.79 2qbk s ARG 16 CO 0.00 -0.42 0.93 -0.80 -1.08 0.00 0.00 175.30 173.93 2qbk s ASN 17 N -2.61 5.54 0.00 -2.89 0.02 -1.26 -5.03 114.94 108.70 2qbk s ASN 17 Ca 0.07 0.75 0.10 0.00 -1.02 0.00 0.00 52.86 52.76 2qbk s ASN 17 Cb -0.01 -1.70 0.17 0.00 0.02 0.00 0.00 41.25 39.72 2qbk s ASN 17 CO -0.06 -1.12 1.02 0.54 0.02 0.00 0.00 177.10 177.49 2qbk n ARG 18 N -2.65 0.00 -0.62 -0.60 5.12 -1.26 -5.16 116.66 111.50 2qbk n ARG 18 Ca 0.05 -1.29 0.08 0.00 -1.93 0.00 0.00 57.85 54.77 2qbk n ARG 18 Cb 0.58 0.17 -0.02 0.00 -1.16 0.00 0.00 32.46 32.02 2qbk n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qbk n GLY 19 N 0.19 -0.98 2.97 -0.13 0.00 -1.26 -4.98 105.19 101.01 2qbk n GLY 19 Ca -0.10 -0.67 -0.05 0.00 0.00 0.00 0.00 46.02 45.20 2qbk n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbk n LEU 20 N 0.00 -5.99 0.00 0.99 7.99 -0.98 -4.79 117.00 114.23 2qbk n LEU 20 Ca 0.00 0.83 0.00 0.00 -0.01 0.00 0.00 56.01 56.84 2qbk n LEU 20 Cb 0.28 -2.59 0.00 0.00 -0.11 0.00 0.00 43.42 41.00 2qbk n LEU 20 CO 0.00 -2.22 0.00 0.00 -1.51 0.00 0.00 177.39 173.67 2qbk n ALA 21 N 0.71 0.00 0.02 -1.18 0.00 -0.10 -4.94 120.51 115.02 2qbk n ALA 21 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qbk n ALA 21 Cb 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.74 2qbk n ALA 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qbk n GLN 22 N 0.00 0.02 -1.84 0.00 1.13 -1.26 -4.89 117.38 110.54 2qbk n GLN 22 Ca 0.00 0.01 -0.21 0.00 -1.94 0.00 0.00 57.00 54.86 2qbk n GLN 22 Cb 0.00 -0.27 -0.07 0.00 0.11 0.00 0.00 30.24 30.01 2qbk n GLN 22 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2qbk s GLY 23 N -3.46 -0.32 0.00 1.08 0.00 -1.26 -4.78 107.32 98.58 2qbk s GLY 23 Ca -0.01 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.35 2qbk s GLY 23 CO 0.02 3.84 0.01 2.41 0.00 0.00 0.00 173.10 179.37 2qbk n THR 24 N 8.31 0.00 -2.10 0.90 -1.04 -1.26 -1.91 114.28 117.20 2qbk n THR 24 Ca 0.43 0.04 -0.38 0.00 -2.04 0.00 0.00 64.05 62.09 2qbk n THR 24 Cb 0.46 -0.10 -0.00 0.00 -1.82 0.00 0.00 70.33 68.87 2qbk n THR 24 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 2qbk s ASP 25 N -1.06 6.14 1.09 8.00 3.84 -1.26 -4.37 116.67 129.04 2qbk s ASP 25 Ca 0.00 2.54 -0.21 0.00 -0.00 0.00 0.00 52.55 54.88 2qbk s ASP 25 Cb 0.00 -2.63 0.04 0.00 -1.38 0.00 0.00 42.92 38.95 2qbk s ASP 25 CO 0.00 -0.96 -0.34 1.33 -0.00 0.00 0.00 175.17 175.20 2qbk n VAL 26 N -0.22 0.00 -1.66 2.11 0.24 -1.26 -4.97 118.33 112.56 2qbk n VAL 26 Ca 0.06 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 2qbk n VAL 26 Cb 0.45 -0.47 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 2qbk n VAL 26 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2qbk n SER 27 N -0.48 0.00 0.00 -1.34 7.64 -1.26 -4.94 113.62 113.23 2qbk n SER 27 Ca 0.00 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.11 2qbk n SER 27 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 2qbk n SER 27 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2qbk n PHE 28 N 0.00 0.00 0.00 1.43 3.72 -1.26 -5.11 117.46 116.24 2qbk n PHE 28 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2qbk n PHE 28 Cb 0.39 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 2qbk n PHE 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qbk n GLY 29 N 0.00 4.73 0.00 1.37 0.00 -1.26 -4.94 105.19 105.09 2qbk n GLY 29 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2qbk n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qbk n SER 30 N 0.00 0.00 0.00 1.61 3.41 0.61 -4.78 113.62 114.47 2qbk n SER 30 Ca 0.00 -1.00 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 2qbk n SER 30 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2qbk n SER 30 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2qbk n PHE 31 N 0.00 0.00 0.00 7.33 3.01 -1.20 -1.90 117.46 124.70 2qbk n PHE 31 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2qbk n PHE 31 Cb 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 2qbk n PHE 31 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qbk n GLY 32 N 0.00 0.23 3.63 1.37 0.00 -1.26 -3.96 105.19 105.21 2qbk n GLY 32 Ca 0.00 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 2qbk n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbk s LEU 33 N 0.00 -0.66 0.33 0.99 1.43 -0.95 -4.71 118.68 115.12 2qbk s LEU 33 Ca 0.00 1.25 0.07 0.00 -1.03 0.00 0.00 54.13 54.42 2qbk s LEU 33 Cb 0.00 2.26 -0.01 0.00 0.03 0.00 0.00 46.19 48.46 2qbk s LEU 33 CO 0.00 -0.21 0.43 -0.75 0.23 0.00 0.00 176.35 176.05 2qbk s LYS 34 N 0.41 3.05 -0.06 1.70 2.47 -0.71 -0.91 119.74 125.68 2qbk s LYS 34 Ca 0.00 -1.06 -0.09 0.00 -1.56 0.00 0.00 55.97 53.26 2qbk s LYS 34 Cb -0.05 -2.75 -0.05 0.00 -1.46 0.00 0.00 37.83 33.51 2qbk s LYS 34 CO -0.03 0.08 0.38 0.00 0.16 0.00 0.00 175.35 175.94 2qbk h ALA 35 N 0.97 -0.30 0.00 3.13 0.00 -1.40 -3.31 119.26 118.35 2qbk h ALA 35 Ca -0.46 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2qbk h ALA 35 Cb 1.25 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2qbk h ALA 35 CO 0.54 -0.28 0.00 0.28 0.00 0.00 0.00 179.25 179.79 2qbk n VAL 36 N -4.98 0.00 -4.41 0.00 0.31 -1.26 -4.16 118.33 103.83 2qbk n VAL 36 Ca -0.04 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.03 2qbk n VAL 36 Cb 0.13 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.94 2qbk n VAL 36 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2qbk s GLY 37 N 0.00 1.68 0.63 2.92 0.00 -1.24 -4.62 107.32 106.70 2qbk s GLY 37 Ca 0.00 -1.63 -0.13 0.00 0.00 0.00 0.00 44.72 42.96 2qbk s GLY 37 CO 0.00 -1.66 1.05 1.09 0.00 0.00 0.00 173.10 173.58 2qbk s ARG 38 N -2.69 3.25 0.00 2.90 1.70 -1.26 -3.83 118.95 119.01 2qbk s ARG 38 Ca 0.20 1.01 0.00 0.00 -0.47 0.00 0.00 55.73 56.47 2qbk s ARG 38 Cb -0.08 -2.03 0.00 0.00 -0.57 0.00 0.00 34.95 32.27 2qbk s ARG 38 CO 0.10 -0.85 0.00 0.41 -1.08 0.00 0.00 175.30 173.87 2qbk n GLY 39 N -1.73 -0.62 3.63 3.88 0.00 -0.20 -4.92 105.19 105.22 2qbk n GLY 39 Ca 0.08 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 2qbk n GLY 39 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qbk s ARG 40 N -1.24 0.80 -0.25 1.61 1.70 -1.26 -2.13 118.95 118.18 2qbk s ARG 40 Ca 0.00 0.93 -0.07 0.00 -0.47 0.00 0.00 55.73 56.12 2qbk s ARG 40 Cb 0.00 0.39 -0.02 0.00 -0.57 0.00 0.00 34.95 34.75 2qbk s ARG 40 CO 0.00 -0.10 0.05 -0.51 -1.08 0.00 0.00 175.30 173.66 2qbk s LEU 41 N 0.32 3.36 0.00 -1.89 1.43 0.74 -4.78 118.68 117.86 2qbk s LEU 41 Ca 0.00 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 2qbk s LEU 41 Cb -0.05 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.28 2qbk s LEU 41 CO 0.00 -0.04 0.80 0.35 0.23 0.00 0.00 176.35 177.70 2qbk n THR 42 N 4.90 0.80 0.00 5.49 -2.24 -1.26 0.26 114.28 122.24 2qbk n THR 42 Ca -0.16 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2qbk n THR 42 Cb 0.51 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 2qbk n THR 42 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qbk n ALA 43 N 0.71 0.00 -0.22 6.98 0.00 -1.18 -3.70 120.51 123.10 2qbk n ALA 43 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.75 2qbk n ALA 43 Cb 0.37 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.44 2qbk n ALA 43 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qbk h ARG 44 N 0.00 0.00 0.05 0.00 2.43 -1.89 1.12 114.38 116.09 2qbk h ARG 44 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qbk h ARG 44 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2qbk h ARG 44 CO 0.00 0.00 -0.02 1.96 -1.51 0.00 0.00 179.97 180.40 2qbk h GLN 45 N 0.00 -0.06 -0.91 0.20 4.20 -1.92 -1.60 115.11 115.02 2qbk h GLN 45 Ca 0.48 0.00 0.10 0.00 0.06 0.00 0.00 58.65 59.30 2qbk h GLN 45 Cb 2.47 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 30.19 2qbk h GLN 45 CO -0.01 0.57 0.54 -0.84 -0.67 0.00 0.00 178.83 178.43 2qbk h ILE 46 N -0.87 0.92 0.07 2.54 3.07 0.81 0.32 117.51 124.37 2qbk h ILE 46 Ca -0.01 -0.31 -0.00 0.00 1.55 0.00 0.00 64.86 66.09 2qbk h ILE 46 Cb 0.66 -0.05 0.00 0.00 -0.27 0.00 0.00 36.82 37.16 2qbk h ILE 46 CO 0.01 0.16 -0.03 -0.08 -1.05 0.00 0.00 178.15 177.16 2qbk h GLU 47 N 0.89 -0.09 -0.89 0.16 4.22 -0.77 0.40 114.58 118.50 2qbk h GLU 47 Ca 0.44 0.01 0.13 0.00 0.08 0.00 0.00 59.36 60.01 2qbk h GLU 47 Cb 0.40 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.59 2qbk h GLU 47 CO -0.25 0.24 0.50 0.00 -2.18 0.00 0.00 179.01 177.32 2qbk h ALA 48 N 0.46 1.33 -0.34 2.92 0.00 -0.48 0.27 119.26 123.41 2qbk h ALA 48 Ca -0.01 0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 2qbk h ALA 48 Cb 0.38 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2qbk h ALA 48 CO 0.02 0.04 -0.37 0.00 0.00 0.00 0.00 179.25 178.94 2qbk h ALA 49 N 1.53 0.51 -0.54 0.00 0.00 -0.21 -3.09 119.26 117.46 2qbk h ALA 49 Ca 0.46 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2qbk h ALA 49 Cb 0.55 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2qbk h ALA 49 CO -0.31 0.59 0.34 -0.09 0.00 0.00 0.00 179.25 179.78 2qbk h ARG 50 N 0.65 0.66 0.35 0.00 2.43 0.18 -1.00 114.38 117.64 2qbk h ARG 50 Ca 0.05 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2qbk h ARG 50 Cb 0.96 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.33 2qbk h ARG 50 CO 0.09 0.43 -0.51 0.00 -1.51 0.00 0.00 179.97 178.47 2qbk h ARG 51 N 0.67 -0.87 -0.92 0.20 3.08 -0.52 0.18 114.38 116.21 2qbk h ARG 51 Ca 0.21 0.06 0.13 0.00 0.07 0.00 0.00 59.98 60.45 2qbk h ARG 51 Cb -0.02 0.20 -0.07 0.00 0.08 0.00 0.00 29.97 30.15 2qbk h ARG 51 CO -0.07 -0.58 0.59 0.00 -1.07 0.00 0.00 179.97 178.84 2qbk h ALA 52 N -0.70 1.73 0.16 0.04 0.00 -1.45 0.11 119.26 119.14 2qbk h ALA 52 Ca -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2qbk h ALA 52 Cb 0.82 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2qbk h ALA 52 CO -0.15 0.02 -0.15 1.98 0.00 0.00 0.00 179.25 180.95 2qbk h MET 53 N 0.79 -0.30 -0.18 0.00 -1.53 0.14 -3.07 114.93 110.78 2qbk h MET 53 Ca 0.46 0.02 0.05 0.00 -3.44 0.00 0.00 59.70 56.79 2qbk h MET 53 Cb 0.64 0.07 -0.07 0.00 -0.55 0.00 0.00 31.60 31.69 2qbk h MET 53 CO -0.22 -0.20 -0.42 1.15 0.14 0.00 0.00 176.91 177.36 2qbk h THR 54 N -0.31 0.15 -0.21 -0.77 2.02 -0.21 -3.20 112.91 110.38 2qbk h THR 54 Ca -0.02 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.82 2qbk h THR 54 Cb 0.27 0.15 0.02 0.00 -1.74 0.00 0.00 68.15 66.84 2qbk h THR 54 CO -0.01 0.00 1.06 -1.14 0.37 0.00 0.00 175.52 175.80 2qbk n ARG 55 N -5.43 0.94 0.00 6.66 0.63 0.32 -0.03 116.66 119.75 2qbk n ARG 55 Ca -0.03 -1.94 0.00 0.00 -0.92 0.00 0.00 57.85 54.96 2qbk n ARG 55 Cb 0.36 -3.46 0.00 0.00 0.45 0.00 0.00 32.46 29.81 2qbk n ARG 55 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qbk n ALA 56 N 13.86 0.00 1.71 5.13 0.00 -1.21 -4.79 120.51 135.21 2qbk n ALA 56 Ca 0.45 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.96 2qbk n ALA 56 Cb 0.45 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.26 2qbk n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qbk n VAL 57 N 0.00 0.09 0.00 0.00 0.31 0.95 -4.90 118.33 114.79 2qbk n VAL 57 Ca 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2qbk n VAL 57 Cb 0.00 -0.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 2qbk n VAL 57 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2qbk n LYS 58 N -0.35 0.00 0.00 5.55 4.01 -1.17 -1.81 118.16 124.39 2qbk n LYS 58 Ca 0.11 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 2qbk n LYS 58 Cb 0.14 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.66 2qbk n LYS 58 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 2qbk n ARG 59 N 0.00 0.00 -1.21 1.97 0.00 -1.26 -4.91 116.66 111.25 2qbk n ARG 59 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.51 2qbk n ARG 59 Cb 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 32.46 32.58 2qbk n ARG 59 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2qbk s GLN 60 N 0.00 1.80 0.09 2.89 -2.07 -0.75 -4.85 119.66 116.77 2qbk s GLN 60 Ca 0.00 1.74 0.00 0.00 -1.82 0.00 0.00 55.36 55.28 2qbk s GLN 60 Cb 0.00 -1.80 0.00 0.00 -1.09 0.00 0.00 33.01 30.12 2qbk s GLN 60 CO 0.00 -2.09 0.00 0.41 -1.32 0.00 0.00 175.29 172.29 2qbk n GLY 61 N 0.40 -1.92 3.33 2.60 0.00 -0.58 -4.85 105.19 104.17 2qbk n GLY 61 Ca 0.13 -1.43 -0.27 0.00 0.00 0.00 0.00 46.02 44.45 2qbk n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbk s LYS 62 N -2.02 1.42 0.30 1.61 2.20 -1.26 -4.79 119.74 117.20 2qbk s LYS 62 Ca 0.00 -1.17 0.10 0.00 -0.36 0.00 0.00 55.97 54.54 2qbk s LYS 62 Cb 0.00 -1.72 -0.06 0.00 -1.51 0.00 0.00 37.83 34.55 2qbk s LYS 62 CO 0.00 0.42 -0.15 0.42 -0.36 0.00 0.00 175.35 175.68 2qbk s ILE 63 N -0.98 2.28 0.01 5.43 1.09 -1.26 -3.22 121.20 124.56 2qbk s ILE 63 Ca 0.10 -2.30 -0.06 0.00 -1.10 0.00 0.00 60.65 57.29 2qbk s ILE 63 Cb -0.10 -2.41 -0.00 0.00 -1.06 0.00 0.00 42.46 38.89 2qbk s ILE 63 CO 0.04 -0.34 0.11 0.26 -0.10 0.00 0.00 174.94 174.91 2qbk s TRP 64 N -2.62 0.11 -0.44 3.97 0.51 -0.87 -4.95 118.94 114.65 2qbk s TRP 64 Ca 0.30 -0.27 0.02 0.00 -2.12 0.00 0.00 56.10 54.03 2qbk s TRP 64 Cb -0.01 -0.09 0.14 0.00 -0.81 0.00 0.00 33.47 32.70 2qbk s TRP 64 CO 0.15 -0.30 0.27 0.42 -0.51 0.00 0.00 176.95 176.98 2qbk s ILE 65 N -1.73 1.14 -2.00 2.03 1.09 -1.26 -2.34 121.20 118.12 2qbk s ILE 65 Ca -0.12 -2.56 0.05 0.00 -1.10 0.00 0.00 60.65 56.91 2qbk s ILE 65 Cb -0.06 -1.79 0.13 0.00 -1.06 0.00 0.00 42.46 39.68 2qbk s ILE 65 CO -0.00 -0.97 0.80 0.54 -0.10 0.00 0.00 174.94 175.20 2qbk n ARG 66 N 3.39 0.58 -4.71 2.79 1.74 -1.17 -4.70 116.66 114.57 2qbk n ARG 66 Ca 0.13 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.89 2qbk n ARG 66 Cb 0.37 -1.12 -0.12 0.00 -1.02 0.00 0.00 32.46 30.57 2qbk n ARG 66 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2qbk s VAL 67 N -2.00 3.19 0.01 1.55 -7.23 -1.26 -4.93 120.40 109.74 2qbk s VAL 67 Ca 0.07 -0.82 -0.00 0.00 -1.81 0.00 0.00 61.98 59.41 2qbk s VAL 67 Cb 0.03 -2.31 -0.01 0.00 0.56 0.00 0.00 36.38 34.65 2qbk s VAL 67 CO 0.05 0.49 -0.01 0.12 -0.31 0.00 0.00 175.10 175.44 2qbk s PHE 68 N -0.85 0.18 0.00 2.82 5.36 -1.26 -5.11 117.98 119.12 2qbk s PHE 68 Ca 0.14 -0.38 0.00 0.00 -0.96 0.00 0.00 56.93 55.73 2qbk s PHE 68 Cb -0.11 -0.14 0.00 0.00 -0.34 0.00 0.00 43.02 42.44 2qbk s PHE 68 CO 0.03 -0.15 0.33 -0.35 -1.46 0.00 0.00 175.22 173.62 2qbk n PRO 69 N 1.96 0.00 0.00 10.12 -0.04 -1.26 -4.41 135.00 141.36 2qbk n PRO 69 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 2qbk n PRO 69 Cb 0.56 -0.81 0.00 0.00 -0.04 0.00 0.00 33.50 33.21 2qbk n PRO 69 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2qbk n ASP 70 N -0.43 0.00 -4.54 3.54 2.03 -1.24 -4.16 116.55 111.75 2qbk n ASP 70 Ca 0.00 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.92 2qbk n ASP 70 Cb 0.00 -1.28 -0.11 0.00 -0.72 0.00 0.00 41.12 39.01 2qbk n ASP 70 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2qbk s LYS 71 N 0.00 3.63 0.00 -0.67 2.20 -1.01 -5.01 119.74 118.87 2qbk s LYS 71 Ca 0.00 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 2qbk s LYS 71 Cb 0.00 -3.75 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 2qbk s LYS 71 CO 0.00 -0.36 0.42 -2.30 -0.36 0.00 0.00 175.35 172.75 2qbk n PRO 72 N 5.08 0.00 -2.11 4.03 -0.02 -1.26 -1.48 135.00 139.25 2qbk n PRO 72 Ca -0.13 0.19 -0.02 0.00 -2.02 0.00 0.00 63.50 61.52 2qbk n PRO 72 Cb 0.50 -0.92 -0.02 0.00 -0.02 0.00 0.00 33.50 33.05 2qbk n PRO 72 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2qbk n ILE 73 N -0.61 -7.98 -0.01 4.25 2.08 -1.26 -4.15 119.36 111.68 2qbk n ILE 73 Ca 0.00 1.31 0.00 0.00 0.56 0.00 0.00 62.75 64.62 2qbk n ILE 73 Cb 0.00 -5.31 0.00 0.00 -0.75 0.00 0.00 39.64 33.58 2qbk n ILE 73 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2qbk n THR 74 N 0.71 0.00 -3.64 1.39 -2.24 -1.26 -3.85 114.28 105.40 2qbk n THR 74 Ca -0.15 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.57 2qbk n THR 74 Cb 0.22 -1.70 -0.07 0.00 -2.10 0.00 0.00 70.33 66.69 2qbk n THR 74 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2qbk s GLU 75 N -0.02 0.30 -0.12 -0.78 2.12 -1.08 -4.71 118.70 114.41 2qbk s GLU 75 Ca 0.00 0.31 -0.14 0.00 0.36 0.00 0.00 54.97 55.51 2qbk s GLU 75 Cb 0.00 0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.49 2qbk s GLU 75 CO 0.00 -0.05 0.32 0.15 -0.54 0.00 0.00 175.26 175.14 2qbk s LYS 76 N -0.03 4.12 1.01 4.30 -0.14 -1.26 -2.83 119.74 124.92 2qbk s LYS 76 Ca 0.05 0.17 -0.18 0.00 -1.36 0.00 0.00 55.97 54.66 2qbk s LYS 76 Cb -0.04 -3.36 -0.03 0.00 -1.68 0.00 0.00 37.83 32.71 2qbk s LYS 76 CO -0.10 0.37 -0.29 -2.30 -0.76 0.00 0.00 175.35 172.27 2qbk n PRO 77 N 3.08 -0.50 0.00 -1.68 -0.02 -1.26 -4.94 135.00 129.68 2qbk n PRO 77 Ca -0.13 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.23 2qbk n PRO 77 Cb 0.52 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 2qbk n PRO 77 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2qbk n LEU 78 N 0.51 0.00 -4.55 2.45 4.32 -1.26 -4.40 117.00 114.07 2qbk n LEU 78 Ca 0.02 0.16 -0.42 0.00 -0.02 0.00 0.00 56.01 55.75 2qbk n LEU 78 Cb 0.60 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.33 2qbk n LEU 78 CO 0.50 0.00 0.36 0.00 -1.22 0.00 0.00 177.39 177.03 2qbk s ALA 79 N -2.61 3.43 -0.29 -1.18 0.00 -1.26 -5.00 121.76 114.85 2qbk s ALA 79 Ca 0.00 -0.97 -0.22 0.00 0.00 0.00 0.00 51.96 50.77 2qbk s ALA 79 Cb 0.00 -3.18 0.16 0.00 0.00 0.00 0.00 23.12 20.10 2qbk s ALA 79 CO 0.00 -1.43 1.19 0.54 0.00 0.00 0.00 175.76 176.06 2qbk s VAL 80 N 2.68 0.00 0.28 0.00 0.11 -1.26 -5.15 120.40 117.06 2qbk s VAL 80 Ca 0.23 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.98 2qbk s VAL 80 Cb -0.15 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.60 2qbk s VAL 80 CO 0.16 0.00 1.45 -0.13 -3.33 0.00 0.00 175.10 173.25 2qbk s ARG 81 N 0.44 4.23 1.13 1.54 3.00 -1.26 -4.98 118.95 123.05 2qbk s ARG 81 Ca 0.01 2.37 -0.18 0.00 0.00 0.00 0.00 55.73 57.94 2qbk s ARG 81 Cb -0.04 -3.07 0.15 0.00 0.00 0.00 0.00 34.95 31.98 2qbk s ARG 81 CO -0.11 -0.44 0.15 -1.33 0.00 0.00 0.00 175.30 173.57 2qbk n MET 82 N 1.86 -2.03 -2.52 3.54 2.81 -1.26 -4.40 117.12 115.12 2qbk n MET 82 Ca 0.05 -0.58 0.00 0.00 -1.81 0.00 0.00 57.70 55.36 2qbk n MET 82 Cb 0.40 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 2qbk n MET 82 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qbk n GLY 83 N 2.09 0.00 0.00 3.03 0.00 -1.26 -4.91 105.19 104.13 2qbk n GLY 83 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2qbk n GLY 83 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qbk n LYS 84 N 1.43 0.00 0.00 1.61 4.76 -1.26 -5.12 118.16 119.59 2qbk n LYS 84 Ca 0.00 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 2qbk n LYS 84 Cb 0.27 -0.12 0.00 0.00 -1.84 0.00 0.00 35.03 33.34 2qbk n LYS 84 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbk n GLY 85 N 0.00 3.76 3.44 0.72 0.00 -1.26 -5.07 105.19 106.79 2qbk n GLY 85 Ca 0.00 -1.41 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 2qbk n GLY 85 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qbk n LYS 86 N -0.13 0.49 0.00 1.61 4.81 -1.26 -4.96 118.16 118.72 2qbk n LYS 86 Ca 0.00 0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 2qbk n LYS 86 Cb 0.00 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 33.48 2qbk n LYS 86 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qbk n GLY 87 N 1.86 -3.18 3.21 3.14 0.00 -1.26 -5.04 105.19 103.92 2qbk n GLY 87 Ca 0.11 -0.96 -0.19 0.00 0.00 0.00 0.00 46.02 44.98 2qbk n GLY 87 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qbk s ASN 88 N -1.99 1.93 -0.49 1.61 -0.87 -1.13 -4.82 114.94 109.18 2qbk s ASN 88 Ca 0.00 -0.69 -0.26 0.00 -1.57 0.00 0.00 52.86 50.34 2qbk s ASN 88 Cb 0.00 -0.07 -0.05 0.00 -0.02 0.00 0.00 41.25 41.11 2qbk s ASN 88 CO 0.00 -0.07 2.19 -0.69 -2.57 0.00 0.00 177.10 175.96 2qbk s VAL 89 N -1.51 3.14 -0.07 1.60 1.01 -1.26 -2.65 120.40 120.67 2qbk s VAL 89 Ca 0.03 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.08 2qbk s VAL 89 Cb -0.09 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 2qbk s VAL 89 CO 0.03 -0.31 -0.06 -0.08 0.00 0.00 0.00 175.10 174.69 2qbk h GLU 90 N 17.37 0.00 0.00 2.72 4.57 -1.84 -3.50 114.58 133.90 2qbk h GLU 90 Ca -0.27 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 57.65 2qbk h GLU 90 Cb 1.23 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.77 2qbk h GLU 90 CO 1.15 0.00 -0.20 2.48 -1.18 0.00 0.00 179.01 181.26 2qbk n TYR 91 N -3.50 0.34 -3.81 0.92 -0.00 -1.26 -5.14 117.16 104.71 2qbk n TYR 91 Ca -0.02 -1.06 -0.28 0.00 -0.00 0.00 0.00 57.90 56.54 2qbk n TYR 91 Cb 0.08 -0.09 -0.16 0.00 -0.00 0.00 0.00 39.34 39.17 2qbk n TYR 91 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 2qbk s TRP 92 N -1.90 1.45 0.39 -3.48 0.52 -1.26 -4.51 118.94 110.14 2qbk s TRP 92 Ca 0.03 -1.08 0.05 0.00 0.02 0.00 0.00 56.10 55.12 2qbk s TRP 92 Cb 0.00 -1.20 -0.00 0.00 -1.15 0.00 0.00 33.47 31.12 2qbk s TRP 92 CO 0.02 -0.64 0.56 0.54 0.02 0.00 0.00 176.95 177.45 2qbk s VAL 93 N 1.72 3.84 -0.29 4.03 0.11 -0.55 -3.11 120.40 126.15 2qbk s VAL 93 Ca -0.02 -0.84 0.01 0.00 -2.93 0.00 0.00 61.98 58.20 2qbk s VAL 93 Cb -0.17 -3.35 0.09 0.00 -1.53 0.00 0.00 36.38 31.41 2qbk s VAL 93 CO -0.07 -0.17 0.04 0.00 -3.33 0.00 0.00 175.10 171.56 2qbk s ALA 94 N -2.34 2.04 -0.28 1.54 0.00 0.74 -2.41 121.76 121.05 2qbk s ALA 94 Ca 0.48 -1.81 -0.28 0.00 0.00 0.00 0.00 51.96 50.34 2qbk s ALA 94 Cb -0.10 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 2qbk s ALA 94 CO 0.34 -1.53 1.99 -0.51 0.00 0.00 0.00 175.76 176.05 2qbk s LEU 95 N 1.35 3.47 0.14 0.00 1.02 -1.26 -0.18 118.68 123.22 2qbk s LEU 95 Ca 0.06 1.58 0.11 0.00 0.02 0.00 0.00 54.13 55.89 2qbk s LEU 95 Cb -0.18 -3.51 -0.04 0.00 0.02 0.00 0.00 46.19 42.47 2qbk s LEU 95 CO -0.14 -1.83 -0.26 0.27 0.02 0.00 0.00 176.35 174.41 2qbk s ILE 96 N 7.55 2.22 0.17 -0.59 -4.36 -0.91 -4.98 121.20 120.31 2qbk s ILE 96 Ca 0.90 -1.77 0.03 0.00 -0.26 0.00 0.00 60.65 59.54 2qbk s ILE 96 Cb -0.27 -1.97 -0.05 0.00 1.25 0.00 0.00 42.46 41.42 2qbk s ILE 96 CO 0.34 0.05 -0.02 0.00 0.24 0.00 0.00 174.94 175.55 2qbk s GLN 97 N -2.12 1.13 0.06 0.37 0.00 -1.26 -1.04 119.66 116.79 2qbk s GLN 97 Ca 0.14 -1.53 -0.38 0.00 -0.00 0.00 0.00 55.36 53.59 2qbk s GLN 97 Cb -0.10 -0.40 -0.18 0.00 0.00 0.00 0.00 33.01 32.33 2qbk s GLN 97 CO 0.06 -0.08 1.23 -2.30 0.00 0.00 0.00 175.29 174.20 2qbk n PRO 98 N -0.26 0.70 -1.00 9.60 -0.02 -1.25 -2.50 135.00 140.28 2qbk n PRO 98 Ca -0.07 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2qbk n PRO 98 Cb 0.63 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 2qbk n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qbk n GLY 99 N 2.12 1.07 3.77 -1.23 0.00 -1.26 -0.93 105.19 108.73 2qbk n GLY 99 Ca 0.19 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 2qbk n GLY 99 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbk s LYS 100 N -2.40 3.14 -0.79 1.61 2.36 -1.04 -4.04 119.74 118.57 2qbk s LYS 100 Ca 0.00 -0.35 -0.23 0.00 -2.55 0.00 0.00 55.97 52.85 2qbk s LYS 100 Cb 0.00 -2.93 0.07 0.00 -1.05 0.00 0.00 37.83 33.92 2qbk s LYS 100 CO 0.00 0.71 1.15 0.54 1.55 0.00 0.00 175.35 179.30 2qbk s VAL 101 N -1.01 4.20 -0.02 4.02 0.11 -0.80 -1.10 120.40 125.80 2qbk s VAL 101 Ca 0.16 -0.49 -0.20 0.00 -2.93 0.00 0.00 61.98 58.52 2qbk s VAL 101 Cb -0.12 -4.82 -0.12 0.00 -1.53 0.00 0.00 36.38 29.79 2qbk s VAL 101 CO 0.06 -1.64 0.86 -0.07 -3.33 0.00 0.00 175.10 170.98 2qbk h LEU 102 N 11.79 -0.50 0.00 2.54 -0.00 -1.33 -3.32 115.31 124.49 2qbk h LEU 102 Ca -0.12 -0.05 -0.52 0.00 -0.00 0.00 0.00 57.88 57.19 2qbk h LEU 102 Cb 1.05 0.13 -0.13 0.00 -0.00 0.00 0.00 40.66 41.71 2qbk h LEU 102 CO 1.23 -0.07 -0.47 -1.22 -0.00 0.00 0.00 178.44 177.90 2qbk n TYR 103 N -5.18 -0.31 -3.66 1.13 4.02 -1.24 -3.05 117.16 108.87 2qbk n TYR 103 Ca -0.09 -2.74 -0.11 0.00 -0.01 0.00 0.00 57.90 54.95 2qbk n TYR 103 Cb 0.27 0.14 -0.08 0.00 -0.02 0.00 0.00 39.34 39.65 2qbk n TYR 103 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 2qbk s GLU 104 N -3.47 0.68 0.47 -0.72 2.02 -0.99 -2.23 118.70 114.46 2qbk s GLU 104 Ca 0.30 0.97 0.06 0.00 0.02 0.00 0.00 54.97 56.32 2qbk s GLU 104 Cb 0.01 0.24 -0.02 0.00 0.10 0.00 0.00 34.13 34.47 2qbk s GLU 104 CO 0.21 -0.12 0.21 1.41 0.02 0.00 0.00 175.26 177.00 2qbk s MET 105 N 0.87 2.23 0.00 1.61 1.75 -1.25 -2.04 119.30 122.47 2qbk s MET 105 Ca -0.04 -2.00 0.00 0.00 -1.25 0.00 0.00 55.69 52.40 2qbk s MET 105 Cb -0.05 -1.93 0.00 0.00 2.84 0.00 0.00 34.83 35.68 2qbk s MET 105 CO -0.07 -0.31 0.00 -3.47 -0.65 0.00 0.00 175.02 170.52 2qbk n ASP 106 N -1.40 0.00 -3.18 1.11 2.03 -1.20 -0.28 116.55 113.62 2qbk n ASP 106 Ca -0.05 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.06 2qbk n ASP 106 Cb 0.65 0.03 -0.02 0.00 -0.72 0.00 0.00 41.12 41.06 2qbk n ASP 106 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2qbk n GLY 107 N -1.00 2.76 3.55 0.27 0.00 -1.26 -4.73 105.19 104.77 2qbk n GLY 107 Ca 0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 2qbk n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbk s VAL 108 N 3.90 0.00 0.57 1.61 0.11 -1.26 -1.53 120.40 123.79 2qbk s VAL 108 Ca 0.34 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.21 2qbk s VAL 108 Cb 0.09 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.85 2qbk s VAL 108 CO -0.01 0.00 0.56 -2.65 -3.33 0.00 0.00 175.10 169.67 2qbk n PRO 109 N 0.44 0.54 0.00 1.54 -0.02 -1.26 -4.73 135.00 131.51 2qbk n PRO 109 Ca -0.10 0.21 0.07 0.00 -2.02 0.00 0.00 63.50 61.66 2qbk n PRO 109 Cb 0.59 -1.73 0.35 0.00 -0.02 0.00 0.00 33.50 32.69 2qbk n PRO 109 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2qbk n GLU 110 N -0.12 0.26 -0.07 -0.52 0.00 -1.26 -1.74 120.64 117.18 2qbk n GLU 110 Ca 0.12 0.12 -0.07 0.00 0.00 0.00 0.00 57.16 57.32 2qbk n GLU 110 Cb 0.47 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.30 2qbk n GLU 110 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2qbk n GLU 111 N -1.20 1.58 -0.05 3.44 -0.58 -1.26 -3.96 120.64 118.60 2qbk n GLU 111 Ca 0.07 -0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.68 2qbk n GLU 111 Cb 0.09 -1.38 -0.07 0.00 -0.57 0.00 0.00 31.44 29.51 2qbk n GLU 111 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2qbk h LEU 112 N 0.00 0.35 0.50 -4.62 7.12 -1.64 -0.34 115.31 116.68 2qbk h LEU 112 Ca -0.40 -0.44 -0.01 0.00 0.13 0.00 0.00 57.88 57.15 2qbk h LEU 112 Cb 1.91 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 41.93 2qbk h LEU 112 CO 0.02 0.71 -0.40 0.00 -0.13 0.00 0.00 178.44 178.64 2qbk h ALA 113 N 0.65 -0.94 -0.46 1.25 0.00 -1.59 -2.58 119.26 115.59 2qbk h ALA 113 Ca 0.03 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.86 2qbk h ALA 113 Cb 0.59 0.55 -0.10 0.00 0.00 0.00 0.00 17.79 18.83 2qbk h ALA 113 CO 0.03 -1.06 -0.36 -0.09 0.00 0.00 0.00 179.25 177.77 2qbk h ARG 114 N -0.89 -0.24 -4.75 0.00 2.43 -1.68 -2.21 114.38 107.04 2qbk h ARG 114 Ca -0.05 0.02 -0.70 0.00 -0.81 0.00 0.00 59.98 58.43 2qbk h ARG 114 Cb 0.76 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.29 2qbk h ARG 114 CO -0.01 -0.16 2.53 -1.91 -1.51 0.00 0.00 179.97 178.92 2qbk n GLU 115 N -5.42 3.10 0.04 0.20 0.00 -0.14 -3.06 120.64 115.35 2qbk n GLU 115 Ca 0.01 -3.05 0.00 0.00 0.00 0.00 0.00 57.16 54.13 2qbk n GLU 115 Cb 0.35 -3.32 0.00 0.00 0.00 0.00 0.00 31.44 28.47 2qbk n GLU 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qbk n ALA 116 N 6.77 0.00 0.12 4.31 0.00 -0.88 -4.77 120.51 126.05 2qbk n ALA 116 Ca 0.49 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.96 2qbk n ALA 116 Cb 0.42 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.06 2qbk n ALA 116 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2qbk n PHE 117 N -3.00 0.20 0.07 0.00 3.72 -0.89 -0.31 117.46 117.25 2qbk n PHE 117 Ca 0.00 0.10 -0.05 0.00 -0.05 0.00 0.00 57.45 57.45 2qbk n PHE 117 Cb 0.00 -0.66 -0.03 0.00 -0.94 0.00 0.00 39.48 37.86 2qbk n PHE 117 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2qbk h LYS 118 N 0.00 -0.28 0.00 -1.08 3.64 -1.79 0.21 116.57 117.26 2qbk h LYS 118 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2qbk h LYS 118 Cb 0.05 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2qbk h LYS 118 CO 0.00 -0.15 0.00 1.28 -2.27 0.00 0.00 179.45 178.31 2qbk n LEU 119 N -4.97 0.00 -0.05 5.20 4.77 -0.41 -1.51 117.00 120.03 2qbk n LEU 119 Ca -0.04 0.37 -0.03 0.00 -0.03 0.00 0.00 56.01 56.28 2qbk n LEU 119 Cb 0.13 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 2qbk n LEU 119 CO 0.10 -0.25 -0.22 0.00 -1.33 0.00 0.00 177.39 175.69 2qbk h ALA 120 N 2.41 0.00 0.00 -1.18 0.00 -0.58 -3.36 119.26 116.55 2qbk h ALA 120 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2qbk h ALA 120 Cb 0.12 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2qbk h ALA 120 CO 0.00 0.32 0.01 0.00 0.00 0.00 0.00 179.25 179.58 2qbk n ALA 121 N -3.16 1.01 -0.07 0.00 0.00 0.72 -1.08 120.51 117.93 2qbk n ALA 121 Ca -0.04 0.10 0.18 0.00 0.00 0.00 0.00 53.44 53.67 2qbk n ALA 121 Cb 0.17 -1.14 0.60 0.00 0.00 0.00 0.00 19.45 19.08 2qbk n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbk h ALA 122 N 1.97 2.31 0.00 0.00 0.00 -1.42 -2.78 119.26 119.34 2qbk h ALA 122 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qbk h ALA 122 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2qbk h ALA 122 CO 0.00 -0.48 -0.18 0.87 0.00 0.00 0.00 179.25 179.46 2qbk h LYS 123 N 0.20 0.00 -3.22 0.00 1.79 -1.33 -3.47 116.57 110.53 2qbk h LYS 123 Ca 0.30 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 58.34 2qbk h LYS 123 Cb 0.91 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.58 2qbk h LYS 123 CO -0.05 0.00 0.07 1.28 -1.08 0.00 0.00 179.45 179.67 2qbk n LEU 124 N -4.05 0.07 -0.18 2.94 4.77 -1.05 -4.84 117.00 114.66 2qbk n LEU 124 Ca -0.03 0.62 -0.09 0.00 -0.03 0.00 0.00 56.01 56.49 2qbk n LEU 124 Cb 0.10 -0.49 0.01 0.00 -2.33 0.00 0.00 43.42 40.70 2qbk n LEU 124 CO 0.04 -0.96 0.87 -0.65 -1.33 0.00 0.00 177.39 175.35 2qbk h PRO 125 N 1.73 0.85 -6.82 3.23 0.11 -1.92 -3.44 132.00 125.75 2qbk h PRO 125 Ca -0.27 -0.23 -0.49 0.00 0.11 0.00 0.00 66.00 65.12 2qbk h PRO 125 Cb 0.76 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.78 2qbk h PRO 125 CO 0.37 0.84 0.42 0.42 -0.21 0.00 0.00 178.00 179.84 2qbk s ILE 126 N -5.20 3.72 -0.13 4.15 1.09 -1.26 -4.99 121.20 118.58 2qbk s ILE 126 Ca -0.13 1.66 -0.29 0.00 -1.10 0.00 0.00 60.65 60.79 2qbk s ILE 126 Cb 0.12 -4.02 -0.02 0.00 -1.06 0.00 0.00 42.46 37.47 2qbk s ILE 126 CO 0.81 0.34 1.29 -0.54 -0.10 0.00 0.00 174.94 176.73 2qbk s LYS 127 N -1.55 4.25 0.42 2.79 3.01 -1.26 -4.98 119.74 122.41 2qbk s LYS 127 Ca 0.46 1.72 0.07 0.00 -1.01 0.00 0.00 55.97 57.21 2qbk s LYS 127 Cb -0.28 -3.74 -0.05 0.00 -1.01 0.00 0.00 37.83 32.75 2qbk s LYS 127 CO 0.36 -0.67 0.18 0.95 0.51 0.00 0.00 175.35 176.68 2qbk s THR 128 N 3.26 2.28 0.28 2.17 -4.23 -1.26 -3.59 115.64 114.54 2qbk s THR 128 Ca 0.57 -1.69 0.02 0.00 -1.18 0.00 0.00 61.69 59.40 2qbk s THR 128 Cb -0.24 -2.97 -0.05 0.00 1.34 0.00 0.00 72.50 70.59 2qbk s THR 128 CO 0.18 0.00 0.11 0.28 -0.54 0.00 0.00 174.62 174.65 2qbk s THR 129 N -2.61 0.52 0.12 3.99 -1.32 -1.25 -4.94 115.64 110.16 2qbk s THR 129 Ca 0.40 -2.00 -0.02 0.00 -1.21 0.00 0.00 61.69 58.87 2qbk s THR 129 Cb 0.04 -2.60 -0.05 0.00 -1.51 0.00 0.00 72.50 68.38 2qbk s THR 129 CO 0.22 0.00 0.31 0.12 -2.21 0.00 0.00 174.62 173.06 2qbk s PHE 130 N -3.69 3.49 0.31 9.09 5.36 -1.26 -1.74 117.98 129.54 2qbk s PHE 130 Ca 0.37 0.38 0.07 0.00 -0.96 0.00 0.00 56.93 56.79 2qbk s PHE 130 Cb 0.07 -1.87 -0.03 0.00 -0.34 0.00 0.00 43.02 40.86 2qbk s PHE 130 CO 0.15 0.49 0.24 0.28 -1.46 0.00 0.00 175.22 174.92 2qbk n VAL 131 N 0.03 0.00 -4.31 3.12 0.31 -1.26 -4.92 118.33 111.29 2qbk n VAL 131 Ca -0.04 -2.21 -0.17 0.00 -0.01 0.00 0.00 64.34 61.91 2qbk n VAL 131 Cb 0.52 1.07 -0.10 0.00 -0.91 0.00 0.00 33.84 34.42 2qbk n VAL 131 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2qbk s THR 132 N -3.20 0.49 0.03 2.52 -4.23 -1.26 -4.44 115.64 105.55 2qbk s THR 132 Ca 0.34 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.70 2qbk s THR 132 Cb 0.02 -2.61 -0.08 0.00 1.34 0.00 0.00 72.50 71.17 2qbk s THR 132 CO 0.24 0.00 1.24 0.50 -0.54 0.00 0.00 174.62 176.06 2qbk h LYS 133 N 2.37 -0.48 -2.95 3.99 3.64 -1.68 -3.41 116.57 118.05 2qbk h LYS 133 Ca -0.37 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2qbk h LYS 133 Cb 1.25 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 2qbk h LYS 133 CO 0.59 -0.32 -0.69 2.41 -2.27 0.00 0.00 179.45 179.17 2qbk n THR 134 N -3.62 -4.55 0.61 1.00 -1.04 -1.26 -4.51 114.28 100.91 2qbk n THR 134 Ca -0.06 1.91 0.08 0.00 -2.04 0.00 0.00 64.05 63.95 2qbk n THR 134 Cb 0.21 -2.80 0.37 0.00 -1.82 0.00 0.00 70.33 66.29 2qbk n THR 134 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2qbk n VAL 135 N 0.25 0.79 -0.28 12.58 0.31 -1.26 -5.01 118.33 125.72 2qbk n VAL 135 Ca 0.00 0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 2qbk n VAL 135 Cb 0.00 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 2qbk n VAL 135 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31