#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk n GLN 3 N 0.00 -2.86 -0.53 0.38 7.27 -1.26 -4.74 117.38 115.64 2qbk n GLN 3 Ca 0.00 2.16 -0.30 0.00 0.07 0.00 0.00 57.00 58.93 2qbk n GLN 3 Cb 0.00 -3.40 0.23 0.00 2.41 0.00 0.00 30.24 29.48 2qbk n GLN 3 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2qbk n GLU 4 N -4.14 -2.37 0.00 3.69 -0.58 -1.26 -4.63 120.64 111.35 2qbk n GLU 4 Ca -0.04 -0.67 0.00 0.00 -0.42 0.00 0.00 57.16 56.03 2qbk n GLU 4 Cb 0.61 -1.95 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 2qbk n GLU 4 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2qbk n GLN 5 N -3.85 0.00 -1.21 3.49 1.13 0.25 -4.90 117.38 112.29 2qbk n GLN 5 Ca 0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 2qbk n GLN 5 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.92 2qbk n GLN 5 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2qbk n THR 6 N 0.00 -4.13 -3.66 5.09 -1.04 -1.26 -2.37 114.28 106.90 2qbk n THR 6 Ca 0.00 1.71 -0.37 0.00 -2.04 0.00 0.00 64.05 63.35 2qbk n THR 6 Cb 0.00 -2.61 -0.10 0.00 -1.82 0.00 0.00 70.33 65.80 2qbk n THR 6 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 2qbk s MET 7 N -2.78 3.99 -0.10 -2.82 -1.94 -1.26 -2.29 119.30 112.09 2qbk s MET 7 Ca 0.00 -0.31 0.04 0.00 -1.71 0.00 0.00 55.69 53.71 2qbk s MET 7 Cb 0.00 -3.55 -0.00 0.00 2.01 0.00 0.00 34.83 33.29 2qbk s MET 7 CO 0.00 -0.04 -0.24 -0.51 -0.01 0.00 0.00 175.02 174.23 2qbk s LEU 8 N 1.32 2.12 1.13 -0.03 1.02 -0.64 -4.91 118.68 118.69 2qbk s LEU 8 Ca 0.07 -0.55 -0.13 0.00 0.02 0.00 0.00 54.13 53.54 2qbk s LEU 8 Cb -0.14 -1.42 0.26 0.00 0.02 0.00 0.00 46.19 44.91 2qbk s LEU 8 CO 0.07 0.16 1.04 0.20 0.02 0.00 0.00 176.35 177.84 2qbk s ASN 9 N 0.32 1.35 -0.31 2.29 0.01 -1.23 -3.37 114.94 113.99 2qbk s ASN 9 Ca -0.18 1.45 -0.07 0.00 -0.71 0.00 0.00 52.86 53.35 2qbk s ASN 9 Cb -0.18 -2.20 0.02 0.00 0.41 0.00 0.00 41.25 39.30 2qbk s ASN 9 CO 0.09 -3.96 0.08 -0.69 -1.51 0.00 0.00 177.10 171.11 2qbk s VAL 10 N -2.58 3.90 -1.94 1.60 1.01 -1.26 -1.17 120.40 119.96 2qbk s VAL 10 Ca 0.68 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.84 2qbk s VAL 10 Cb -0.23 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2qbk s VAL 10 CO 0.63 0.01 0.96 0.00 0.00 0.00 0.00 175.10 176.70 2qbk n ALA 11 N 4.85 2.49 -2.33 5.51 0.00 0.35 -4.79 120.51 126.58 2qbk n ALA 11 Ca -0.14 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.13 2qbk n ALA 11 Cb 0.47 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.82 2qbk n ALA 11 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2qbk s ASP 12 N -0.95 1.35 0.74 0.00 1.47 -1.26 0.21 116.67 118.22 2qbk s ASP 12 Ca 0.00 -1.41 -0.08 0.00 1.18 0.00 0.00 52.55 52.25 2qbk s ASP 12 Cb 0.00 0.17 0.08 0.00 -0.34 0.00 0.00 42.92 42.83 2qbk s ASP 12 CO 0.00 -0.74 1.06 0.54 0.68 0.00 0.00 175.17 176.71 2qbk s ASN 13 N -3.34 4.62 0.36 2.11 2.20 -1.19 -4.70 114.94 115.01 2qbk s ASN 13 Ca 0.37 0.46 0.00 0.00 -0.94 0.00 0.00 52.86 52.75 2qbk s ASN 13 Cb 0.08 -1.02 0.00 0.00 -2.00 0.00 0.00 41.25 38.30 2qbk s ASN 13 CO 0.14 -1.74 0.00 -1.54 -2.94 0.00 0.00 177.10 171.02 2qbk n SER 14 N -3.04 -6.62 -2.27 3.54 3.41 -1.26 -4.62 113.62 102.74 2qbk n SER 14 Ca 0.09 0.91 -0.17 0.00 -0.26 0.00 0.00 58.87 59.44 2qbk n SER 14 Cb 0.60 -3.21 -0.02 0.00 -0.26 0.00 0.00 64.21 61.33 2qbk n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbk n GLY 15 N -0.75 -0.18 1.64 5.00 0.00 -1.24 -4.84 105.19 104.83 2qbk n GLY 15 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2qbk n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbk n ALA 16 N -1.65 -2.60 -1.39 4.61 0.00 -1.26 -4.11 120.51 114.11 2qbk n ALA 16 Ca -0.19 -0.76 0.03 0.00 0.00 0.00 0.00 53.44 52.52 2qbk n ALA 16 Cb 0.63 -0.07 -0.02 0.00 0.00 0.00 0.00 19.45 20.00 2qbk n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qbk n ARG 17 N -3.70 -2.91 0.00 0.00 5.12 -1.26 -0.68 116.66 113.23 2qbk n ARG 17 Ca 0.07 2.29 0.00 0.00 -1.93 0.00 0.00 57.85 58.28 2qbk n ARG 17 Cb 0.30 -3.10 0.00 0.00 -1.16 0.00 0.00 32.46 28.50 2qbk n ARG 17 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2qbk n ARG 18 N -2.88 0.00 -3.73 5.56 1.74 -1.26 -3.97 116.66 112.13 2qbk n ARG 18 Ca -0.02 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.94 2qbk n ARG 18 Cb 0.40 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.74 2qbk n ARG 18 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2qbk s VAL 19 N 0.00 -0.01 -0.09 1.55 -7.23 -1.22 -0.75 120.40 112.66 2qbk s VAL 19 Ca 0.00 0.03 -0.05 0.00 -1.81 0.00 0.00 61.98 60.14 2qbk s VAL 19 Cb 0.00 -0.55 -0.04 0.00 0.56 0.00 0.00 36.38 36.35 2qbk s VAL 19 CO 0.00 0.01 0.14 -0.32 -0.31 0.00 0.00 175.10 174.62 2qbk s MET 20 N 0.54 3.40 0.12 4.82 1.75 -1.09 -1.62 119.30 127.21 2qbk s MET 20 Ca -0.03 -0.21 -0.24 0.00 -1.25 0.00 0.00 55.69 53.97 2qbk s MET 20 Cb -0.04 -3.13 -0.07 0.00 2.84 0.00 0.00 34.83 34.42 2qbk s MET 20 CO -0.03 0.75 0.73 0.00 -0.65 0.00 0.00 175.02 175.81 2qbk n ILE 22 N 1.93 0.68 -3.65 0.00 -5.35 0.78 -0.58 119.36 113.17 2qbk n ILE 22 Ca -0.06 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.60 2qbk n ILE 22 Cb 0.49 0.67 -0.06 0.00 -1.74 0.00 0.00 39.64 39.00 2qbk n ILE 22 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2qbk s LYS 23 N -0.68 0.12 -0.76 6.28 2.47 -1.19 -4.83 119.74 121.15 2qbk s LYS 23 Ca 0.00 0.19 -0.16 0.00 -1.56 0.00 0.00 55.97 54.44 2qbk s LYS 23 Cb 0.00 0.03 0.17 0.00 -1.46 0.00 0.00 37.83 36.57 2qbk s LYS 23 CO 0.00 -0.02 0.79 0.08 0.16 0.00 0.00 175.35 176.36 2qbk s VAL 24 N 0.85 5.22 0.80 4.02 1.01 -1.26 -1.23 120.40 129.81 2qbk s VAL 24 Ca -0.05 -1.86 -0.12 0.00 0.00 0.00 0.00 61.98 59.95 2qbk s VAL 24 Cb -0.03 -4.52 0.08 0.00 0.00 0.00 0.00 36.38 31.90 2qbk s VAL 24 CO -0.12 -1.13 1.15 -0.76 0.00 0.00 0.00 175.10 174.25 2qbk s LEU 25 N 1.38 3.10 0.00 3.92 1.43 -1.22 -4.61 118.68 122.68 2qbk s LEU 25 Ca 0.18 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.44 2qbk s LEU 25 Cb -0.15 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.51 2qbk s LEU 25 CO -0.04 -2.45 0.00 0.61 0.23 0.00 0.00 176.35 174.69 2qbk n GLY 26 N -0.07 1.62 0.00 -3.19 0.00 -1.26 -4.81 105.19 97.48 2qbk n GLY 26 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2qbk n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbk n GLY 27 N 0.00 1.16 3.78 -0.02 0.00 -1.26 -4.93 105.19 103.91 2qbk n GLY 27 Ca 0.00 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.50 2qbk n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qbk s SER 28 N 0.00 7.38 0.00 1.61 0.15 -1.26 -3.77 113.70 117.81 2qbk s SER 28 Ca 0.00 1.85 0.00 0.00 0.70 0.00 0.00 55.95 58.50 2qbk s SER 28 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2qbk s SER 28 CO 0.00 -0.04 0.00 1.41 1.20 0.00 0.00 173.24 175.81 2qbk n HIS 29 N 0.69 0.00 -1.45 3.44 8.25 -1.26 -4.83 115.22 120.06 2qbk n HIS 29 Ca 0.01 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 57.00 2qbk n HIS 29 Cb 0.50 -1.51 -0.09 0.00 1.12 0.00 0.00 29.99 30.01 2qbk n HIS 29 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2qbk n ARG 30 N -0.68 0.68 0.00 -0.41 0.63 -1.25 -4.86 116.66 110.78 2qbk n ARG 30 Ca 0.00 0.13 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 2qbk n ARG 30 Cb 0.16 -2.29 0.00 0.00 0.45 0.00 0.00 32.46 30.78 2qbk n ARG 30 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2qbk n ARG 31 N 8.32 0.00 -2.18 -0.14 5.12 -1.26 -4.74 116.66 121.78 2qbk n ARG 31 Ca 0.48 0.04 -0.06 0.00 -1.93 0.00 0.00 57.85 56.38 2qbk n ARG 31 Cb 0.20 -0.58 -0.00 0.00 -1.16 0.00 0.00 32.46 30.92 2qbk n ARG 31 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2qbk n TYR 32 N -0.12 -0.88 -3.66 -1.55 4.01 -1.26 -4.25 117.16 109.45 2qbk n TYR 32 Ca 0.00 -0.54 -0.06 0.00 -0.16 0.00 0.00 57.90 57.14 2qbk n TYR 32 Cb 0.00 -0.09 -0.07 0.00 -0.31 0.00 0.00 39.34 38.86 2qbk n TYR 32 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qbk s ALA 33 N -2.18 -1.67 0.00 -0.72 0.00 -1.26 -4.74 121.76 111.18 2qbk s ALA 33 Ca 0.05 2.11 0.00 0.00 0.00 0.00 0.00 51.96 54.12 2qbk s ALA 33 Cb -0.00 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.69 2qbk s ALA 33 CO 0.03 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.63 2qbk n GLY 34 N 4.80 5.27 3.34 0.00 0.00 -1.26 -3.23 105.19 114.10 2qbk n GLY 34 Ca -0.17 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2qbk n GLY 34 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qbk n VAL 35 N 0.00 0.00 -2.86 1.61 0.24 -1.26 -1.93 118.33 114.12 2qbk n VAL 35 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 2qbk n VAL 35 Cb 0.00 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 32.40 2qbk n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qbk n GLY 36 N 0.00 0.96 3.82 7.63 0.00 -1.19 -3.69 105.19 112.72 2qbk n GLY 36 Ca 0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 2qbk n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qbk s ASP 37 N -1.57 5.28 -0.12 1.61 1.01 -0.81 -4.72 116.67 117.35 2qbk s ASP 37 Ca 0.31 -0.43 -0.16 0.00 0.71 0.00 0.00 52.55 52.98 2qbk s ASP 37 Cb 0.24 -1.11 -0.05 0.00 1.01 0.00 0.00 42.92 43.02 2qbk s ASP 37 CO -0.17 -0.21 0.38 -0.63 0.21 0.00 0.00 175.17 174.76 2qbk s ILE 38 N -2.25 5.23 -0.04 0.77 -1.09 -1.26 -1.24 121.20 121.32 2qbk s ILE 38 Ca 0.37 0.74 -0.04 0.00 -2.23 0.00 0.00 60.65 59.49 2qbk s ILE 38 Cb -0.06 -3.71 0.01 0.00 -1.58 0.00 0.00 42.46 37.11 2qbk s ILE 38 CO 0.25 0.39 0.12 0.27 -1.23 0.00 0.00 174.94 174.74 2qbk s ILE 39 N 0.29 0.02 0.25 2.92 -0.00 -0.97 -3.40 121.20 120.31 2qbk s ILE 39 Ca 0.21 -0.15 -0.30 0.00 -0.00 0.00 0.00 60.65 60.42 2qbk s ILE 39 Cb -0.14 -0.22 -0.09 0.00 -0.00 0.00 0.00 42.46 42.00 2qbk s ILE 39 CO 0.08 -0.08 1.27 -0.75 -0.00 0.00 0.00 174.94 175.45 2qbk s LYS 40 N -0.23 4.43 0.06 0.37 2.47 -0.36 -2.21 119.74 124.26 2qbk s LYS 40 Ca -0.03 2.06 -0.00 0.00 -1.56 0.00 0.00 55.97 56.43 2qbk s LYS 40 Cb -0.02 -3.16 -0.04 0.00 -1.46 0.00 0.00 37.83 33.15 2qbk s LYS 40 CO 0.00 -0.15 -0.04 -1.50 0.16 0.00 0.00 175.35 173.83 2qbk s ILE 41 N -0.51 0.34 -0.25 5.43 2.07 -0.83 -0.16 121.20 127.30 2qbk s ILE 41 Ca 0.52 -1.71 -0.00 0.00 -1.41 0.00 0.00 60.65 58.04 2qbk s ILE 41 Cb -0.37 -1.38 0.07 0.00 0.13 0.00 0.00 42.46 40.91 2qbk s ILE 41 CO 0.43 -0.89 0.02 -0.89 -1.91 0.00 0.00 174.94 171.70 2qbk s THR 42 N -3.47 1.16 -0.30 4.00 2.01 0.14 -2.07 115.64 117.11 2qbk s THR 42 Ca 0.05 -1.18 -0.38 0.00 0.31 0.00 0.00 61.69 60.49 2qbk s THR 42 Cb 0.05 -1.63 -0.14 0.00 0.01 0.00 0.00 72.50 70.78 2qbk s THR 42 CO -0.07 -0.31 1.95 -0.38 -0.69 0.00 0.00 174.62 175.12 2qbk n ILE 43 N 4.78 0.28 0.44 1.82 5.41 -0.29 -2.68 119.36 129.11 2qbk n ILE 43 Ca -0.07 -0.13 0.08 0.00 1.00 0.00 0.00 62.75 63.63 2qbk n ILE 43 Cb 0.44 -1.41 -0.11 0.00 -0.71 0.00 0.00 39.64 37.84 2qbk n ILE 43 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2qbk n LYS 44 N 6.73 0.99 0.00 0.38 4.76 -1.20 -2.22 118.16 127.61 2qbk n LYS 44 Ca 0.33 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 2qbk n LYS 44 Cb 0.17 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 2qbk n LYS 44 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2qbk n GLU 45 N -1.72 0.00 -1.61 1.97 -0.58 0.07 -4.94 120.64 113.83 2qbk n GLU 45 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2qbk n GLU 45 Cb 0.35 -0.02 0.00 0.00 -0.57 0.00 0.00 31.44 31.20 2qbk n GLU 45 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qbk n ALA 46 N -2.42 -1.97 -1.93 0.62 0.00 0.15 -4.61 120.51 110.35 2qbk n ALA 46 Ca 0.00 0.49 -0.29 0.00 0.00 0.00 0.00 53.44 53.64 2qbk n ALA 46 Cb 0.00 -1.48 0.05 0.00 0.00 0.00 0.00 19.45 18.02 2qbk n ALA 46 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2qbk s ILE 47 N -5.00 3.43 0.13 0.00 2.07 -1.26 -4.74 121.20 115.82 2qbk s ILE 47 Ca 0.00 0.35 -0.25 0.00 -1.41 0.00 0.00 60.65 59.34 2qbk s ILE 47 Cb 0.00 -3.44 -0.03 0.00 0.13 0.00 0.00 42.46 39.12 2qbk s ILE 47 CO 0.00 -0.56 1.63 1.55 -1.91 0.00 0.00 174.94 175.66 2qbk h PRO 48 N -0.58 -0.35 0.00 3.50 0.13 -1.99 -3.39 132.00 129.33 2qbk h PRO 48 Ca -0.45 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2qbk h PRO 48 Cb 1.26 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2qbk h PRO 48 CO 0.63 -0.23 0.00 0.54 -0.23 0.00 0.00 178.00 178.71 2qbk n ARG 49 N -5.37 0.00 0.00 0.86 1.74 -1.26 -5.00 116.66 107.62 2qbk n ARG 49 Ca -0.04 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 2qbk n ARG 49 Cb 0.29 -0.38 0.00 0.00 -1.02 0.00 0.00 32.46 31.35 2qbk n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qbk n GLY 50 N 1.97 0.79 0.00 -0.13 0.00 -1.26 -4.44 105.19 102.11 2qbk n GLY 50 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2qbk n GLY 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qbk n LYS 51 N 0.00 0.89 -3.37 1.61 4.81 -1.26 -4.94 118.16 115.89 2qbk n LYS 51 Ca 0.00 -0.23 -0.14 0.00 -0.87 0.00 0.00 58.31 57.07 2qbk n LYS 51 Cb 0.00 -0.68 -0.09 0.00 0.02 0.00 0.00 35.03 34.28 2qbk n LYS 51 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2qbk s VAL 52 N -0.19 -0.48 1.04 3.15 -7.23 -1.26 -4.97 120.40 110.46 2qbk s VAL 52 Ca 0.00 -0.39 -0.14 0.00 -1.81 0.00 0.00 61.98 59.64 2qbk s VAL 52 Cb 0.00 -0.96 0.21 0.00 0.56 0.00 0.00 36.38 36.19 2qbk s VAL 52 CO 0.00 -0.38 1.10 -1.59 -0.31 0.00 0.00 175.10 173.92 2qbk s LYS 53 N 2.42 0.06 1.24 4.82 0.00 -1.26 -3.59 119.74 123.44 2qbk s LYS 53 Ca 0.10 0.36 -0.19 0.00 0.00 0.00 0.00 55.97 56.24 2qbk s LYS 53 Cb -0.14 -1.71 0.30 0.00 0.00 0.00 0.00 37.83 36.29 2qbk s LYS 53 CO -0.30 -2.94 0.68 0.36 0.00 0.00 0.00 175.35 173.14 2qbk n LYS 54 N -4.30 -3.56 -1.29 1.78 0.00 -1.26 -3.60 118.16 105.93 2qbk n LYS 54 Ca 0.07 -1.14 -0.11 0.00 -0.00 0.00 0.00 58.31 57.13 2qbk n LYS 54 Cb 0.58 -1.66 -0.05 0.00 -0.00 0.00 0.00 35.03 33.91 2qbk n LYS 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qbk n GLY 55 N -4.02 1.06 3.86 2.58 0.00 -0.94 -4.95 105.19 102.79 2qbk n GLY 55 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2qbk n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qbk s ASP 56 N -2.30 6.67 -0.34 1.61 1.01 -1.24 -4.92 116.67 117.16 2qbk s ASP 56 Ca 0.00 0.85 0.03 0.00 0.71 0.00 0.00 52.55 54.14 2qbk s ASP 56 Cb 0.00 -2.20 0.10 0.00 1.01 0.00 0.00 42.92 41.83 2qbk s ASP 56 CO 0.00 0.13 0.08 -0.69 0.21 0.00 0.00 175.17 174.90 2qbk s VAL 57 N -1.46 1.94 0.00 -1.27 1.01 -1.26 -1.14 120.40 118.21 2qbk s VAL 57 Ca 0.36 -2.17 0.00 0.00 0.00 0.00 0.00 61.98 60.16 2qbk s VAL 57 Cb -0.14 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.81 2qbk s VAL 57 CO 0.19 -0.64 0.00 0.00 0.00 0.00 0.00 175.10 174.65 2qbk n LEU 58 N 4.32 0.00 -3.80 3.92 -0.00 -0.88 -4.96 117.00 115.60 2qbk n LEU 58 Ca 0.03 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.91 2qbk n LEU 58 Cb 0.41 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.71 2qbk n LEU 58 CO 0.20 0.00 -0.13 -1.59 -0.00 0.00 0.00 177.39 175.87 2qbk s LYS 59 N 3.17 0.24 0.29 1.47 -2.85 -1.26 -1.96 119.74 118.84 2qbk s LYS 59 Ca 0.00 0.30 0.05 0.00 -1.00 0.00 0.00 55.97 55.31 2qbk s LYS 59 Cb 0.00 0.11 -0.06 0.00 -2.06 0.00 0.00 37.83 35.82 2qbk s LYS 59 CO 0.00 -0.03 0.01 0.00 0.10 0.00 0.00 175.35 175.42 2qbk s ALA 60 N 0.15 2.22 -0.21 0.59 0.00 -0.94 -1.16 121.76 122.41 2qbk s ALA 60 Ca -0.00 -1.94 -0.06 0.00 0.00 0.00 0.00 51.96 49.95 2qbk s ALA 60 Cb -0.02 0.48 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 2qbk s ALA 60 CO -0.00 -0.22 0.04 0.14 0.00 0.00 0.00 175.76 175.71 2qbk s VAL 61 N -3.24 4.27 0.08 0.00 -7.23 0.15 -2.29 120.40 112.14 2qbk s VAL 61 Ca 0.32 -0.20 -0.31 0.00 -1.81 0.00 0.00 61.98 59.98 2qbk s VAL 61 Cb 0.07 -2.95 -0.08 0.00 0.56 0.00 0.00 36.38 33.97 2qbk s VAL 61 CO 0.13 0.40 1.54 -0.69 -0.31 0.00 0.00 175.10 176.17 2qbk s VAL 62 N 1.06 3.16 -0.07 1.32 1.01 -0.37 -0.94 120.40 125.56 2qbk s VAL 62 Ca 0.03 0.69 -0.04 0.00 0.00 0.00 0.00 61.98 62.67 2qbk s VAL 62 Cb -0.14 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2qbk s VAL 62 CO 0.02 0.02 -0.09 0.52 0.00 0.00 0.00 175.10 175.57 2qbk n VAL 63 N 4.44 0.45 -5.00 2.92 0.31 -0.77 -3.17 118.33 117.51 2qbk n VAL 63 Ca 0.14 -0.08 -0.29 0.00 -0.01 0.00 0.00 64.34 64.10 2qbk n VAL 63 Cb 0.41 -1.61 -0.17 0.00 -0.91 0.00 0.00 33.84 31.56 2qbk n VAL 63 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2qbk s ARG 64 N -2.14 2.43 0.02 5.55 3.00 -0.96 -4.56 118.95 122.30 2qbk s ARG 64 Ca -0.10 -0.72 0.04 0.00 0.00 0.00 0.00 55.73 54.95 2qbk s ARG 64 Cb 0.04 -1.93 -0.02 0.00 0.00 0.00 0.00 34.95 33.04 2qbk s ARG 64 CO 0.13 0.18 -0.12 0.95 0.00 0.00 0.00 175.30 176.44 2qbk s THR 65 N 0.30 0.96 0.32 0.02 -4.23 -1.26 -0.81 115.64 110.93 2qbk s THR 65 Ca -0.13 -0.83 0.06 0.00 -1.18 0.00 0.00 61.69 59.61 2qbk s THR 65 Cb -0.16 -0.87 0.08 0.00 1.34 0.00 0.00 72.50 72.89 2qbk s THR 65 CO 0.06 0.04 1.76 0.11 -0.54 0.00 0.00 174.62 176.05 2qbk h LYS 66 N 5.18 0.30 0.00 3.99 1.57 -1.84 -1.80 116.57 123.97 2qbk h LYS 66 Ca -0.36 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 2qbk h LYS 66 Cb 1.18 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 2qbk h LYS 66 CO 0.45 0.57 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.63 2qbk h LYS 67 N 0.26 0.00 0.00 3.15 3.11 -1.96 -3.41 116.57 117.72 2qbk h LYS 67 Ca 0.04 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 2qbk h LYS 67 Cb 0.66 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.89 2qbk h LYS 67 CO 0.05 0.05 0.00 0.41 -2.81 0.00 0.00 179.45 177.15 2qbk n GLY 68 N -1.05 -1.85 3.33 5.01 0.00 -0.69 -4.85 105.19 105.09 2qbk n GLY 68 Ca -0.02 -1.40 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 2qbk n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbk s VAL 69 N 0.00 -0.00 0.09 1.61 1.01 -0.82 -4.74 120.40 117.55 2qbk s VAL 69 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.00 2qbk s VAL 69 Cb 0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 2qbk s VAL 69 CO 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 175.10 175.04 2qbk s ARG 70 N 0.25 0.78 0.23 2.72 1.70 -1.26 -1.70 118.95 121.68 2qbk s ARG 70 Ca -0.00 -1.27 -0.00 0.00 -0.47 0.00 0.00 55.73 53.98 2qbk s ARG 70 Cb -0.03 -0.16 -0.03 0.00 -0.57 0.00 0.00 34.95 34.15 2qbk s ARG 70 CO 0.00 -0.02 0.19 1.03 -1.08 0.00 0.00 175.30 175.42 2qbk s ARG 71 N -3.65 1.36 0.00 3.89 1.81 -1.23 -5.01 118.95 116.11 2qbk s ARG 71 Ca 0.09 -1.69 0.00 0.00 -1.72 0.00 0.00 55.73 52.42 2qbk s ARG 71 Cb 0.04 0.30 0.00 0.00 -0.45 0.00 0.00 34.95 34.84 2qbk s ARG 71 CO -0.05 -0.47 0.00 -2.30 -0.68 0.00 0.00 175.30 171.80 2qbk n PRO 72 N -0.36 0.00 -0.08 3.54 -0.02 -1.26 0.74 135.00 137.56 2qbk n PRO 72 Ca 0.03 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.65 2qbk n PRO 72 Cb 0.65 0.00 0.21 0.00 -0.02 0.00 0.00 33.50 34.34 2qbk n PRO 72 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2qbk n ASP 73 N 0.00 0.00 0.00 2.55 5.75 -1.26 -4.64 116.55 118.95 2qbk n ASP 73 Ca 0.00 0.41 0.00 0.00 -0.01 0.00 0.00 54.79 55.19 2qbk n ASP 73 Cb 0.00 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 2qbk n ASP 73 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qbk n GLY 74 N -1.28 3.14 3.52 6.12 0.00 0.23 -5.04 105.19 111.88 2qbk n GLY 74 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2qbk n GLY 74 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qbk n SER 75 N 0.00 0.10 -4.36 1.61 3.41 -1.26 -4.63 113.62 108.49 2qbk n SER 75 Ca 0.00 1.02 -0.19 0.00 -0.26 0.00 0.00 58.87 59.44 2qbk n SER 75 Cb 0.00 -1.19 -0.10 0.00 -0.26 0.00 0.00 64.21 62.65 2qbk n SER 75 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2qbk s VAL 76 N -1.28 1.75 -0.14 -3.33 1.01 -1.26 -3.53 120.40 113.62 2qbk s VAL 76 Ca 0.62 -2.21 -0.04 0.00 0.00 0.00 0.00 61.98 60.35 2qbk s VAL 76 Cb -0.65 -2.11 0.05 0.00 0.00 0.00 0.00 36.38 33.67 2qbk s VAL 76 CO 0.58 -0.55 0.07 0.27 0.00 0.00 0.00 175.10 175.48 2qbk s ILE 77 N -2.96 0.00 -0.12 2.22 -4.36 -0.69 -4.97 121.20 110.33 2qbk s ILE 77 Ca 0.24 -0.06 0.03 0.00 -0.26 0.00 0.00 60.65 60.60 2qbk s ILE 77 Cb -0.00 -0.53 0.01 0.00 1.25 0.00 0.00 42.46 43.19 2qbk s ILE 77 CO 0.08 -0.14 -0.21 0.00 0.24 0.00 0.00 174.94 174.91 2qbk s ARG 78 N 2.10 2.83 -0.42 0.37 1.70 -1.26 -1.94 118.95 122.34 2qbk s ARG 78 Ca 0.03 -0.79 -0.22 0.00 -0.47 0.00 0.00 55.73 54.27 2qbk s ARG 78 Cb -0.15 -2.24 0.02 0.00 -0.57 0.00 0.00 34.95 32.01 2qbk s ARG 78 CO -0.07 0.05 0.72 -0.06 -1.08 0.00 0.00 175.30 174.86 2qbk s PHE 79 N 0.66 3.06 -0.59 5.89 0.40 -1.11 -4.93 117.98 121.35 2qbk s PHE 79 Ca -0.12 0.18 -0.25 0.00 -0.60 0.00 0.00 56.93 56.15 2qbk s PHE 79 Cb -0.16 -3.44 -0.22 0.00 0.51 0.00 0.00 43.02 39.70 2qbk s PHE 79 CO 0.02 -0.86 1.84 -0.40 0.70 0.00 0.00 175.22 176.53 2qbk n ASP 80 N 6.43 2.10 0.00 1.36 5.75 -1.26 -3.14 116.55 127.79 2qbk n ASP 80 Ca 0.01 -2.63 0.00 0.00 -0.01 0.00 0.00 54.79 52.16 2qbk n ASP 80 Cb 0.48 -1.00 0.00 0.00 -1.03 0.00 0.00 41.12 39.57 2qbk n ASP 80 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qbk n GLY 81 N 4.79 0.87 3.42 6.12 0.00 -1.26 -5.03 105.19 114.09 2qbk n GLY 81 Ca 0.48 0.46 -0.35 0.00 0.00 0.00 0.00 46.02 46.62 2qbk n GLY 81 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qbk n ASN 82 N 0.00 -1.87 -3.58 1.61 3.02 -1.26 -4.61 115.26 108.57 2qbk n ASN 82 Ca 0.00 0.45 -0.10 0.00 -0.03 0.00 0.00 54.58 54.90 2qbk n ASN 82 Cb 0.00 -1.18 -0.05 0.00 -0.61 0.00 0.00 39.78 37.93 2qbk n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qbk s ALA 83 N -2.13 -1.93 0.22 5.41 0.00 0.01 -3.58 121.76 119.76 2qbk s ALA 83 Ca 0.60 1.59 -0.15 0.00 0.00 0.00 0.00 51.96 54.01 2qbk s ALA 83 Cb -0.28 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.12 2qbk s ALA 83 CO 0.64 -0.31 0.49 0.00 0.00 0.00 0.00 175.76 176.58 2qbk s VAL 85 N -3.95 1.05 0.97 0.00 1.01 -0.12 -0.50 120.40 118.86 2qbk s VAL 85 Ca 0.16 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 2qbk s VAL 85 Cb -0.01 -1.11 0.17 0.00 0.00 0.00 0.00 36.38 35.44 2qbk s VAL 85 CO 0.04 0.31 1.09 -0.76 0.00 0.00 0.00 175.10 175.77 2qbk s LEU 86 N 1.69 2.05 -0.13 3.92 1.43 -1.26 0.31 118.68 126.69 2qbk s LEU 86 Ca 0.04 1.69 -0.30 0.00 -1.03 0.00 0.00 54.13 54.52 2qbk s LEU 86 Cb -0.13 -3.97 0.11 0.00 0.03 0.00 0.00 46.19 42.23 2qbk s LEU 86 CO -0.08 -3.16 0.89 -1.48 0.23 0.00 0.00 176.35 172.75 2qbk s LEU 87 N -6.58 -0.47 0.11 1.79 2.34 -0.31 -3.39 118.68 112.17 2qbk s LEU 87 Ca 0.65 0.54 -0.23 0.00 0.06 0.00 0.00 54.13 55.15 2qbk s LEU 87 Cb -0.21 2.10 -0.13 0.00 -0.56 0.00 0.00 46.19 47.38 2qbk s LEU 87 CO 0.59 -0.42 0.49 -3.20 -1.06 0.00 0.00 176.35 172.75 2qbk n ASN 88 N 0.87 -0.71 0.00 1.48 4.05 -0.71 -4.13 115.26 116.11 2qbk n ASN 88 Ca -0.13 0.85 0.00 0.00 0.45 0.00 0.00 54.58 55.75 2qbk n ASN 88 Cb 0.57 -0.70 0.00 0.00 1.23 0.00 0.00 39.78 40.88 2qbk n ASN 88 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 2qbk n ASN 89 N 1.40 0.00 0.00 1.20 4.05 -1.26 -2.76 115.26 117.89 2qbk n ASN 89 Ca 0.14 0.67 0.02 0.00 0.45 0.00 0.00 54.58 55.86 2qbk n ASN 89 Cb 0.16 -0.47 0.11 0.00 1.23 0.00 0.00 39.78 40.81 2qbk n ASN 89 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 2qbk n ASN 90 N -1.91 0.00 -2.70 1.20 6.94 -1.26 -3.74 115.26 113.80 2qbk n ASN 90 Ca 0.00 0.20 -0.02 0.00 -0.02 0.00 0.00 54.58 54.73 2qbk n ASN 90 Cb 0.00 -0.26 0.11 0.00 -2.36 0.00 0.00 39.78 37.27 2qbk n ASN 90 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 2qbk n SER 91 N -1.26 -0.92 -0.00 0.53 7.64 -1.26 -5.16 113.62 113.19 2qbk n SER 91 Ca 0.02 -2.23 0.00 0.00 1.01 0.00 0.00 58.87 57.68 2qbk n SER 91 Cb 0.03 0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2qbk n SER 91 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2qbk n GLU 92 N -1.25 0.00 -1.44 1.43 -0.58 -1.11 -4.88 120.64 112.80 2qbk n GLU 92 Ca -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 2qbk n GLU 92 Cb 0.86 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.73 2qbk n GLU 92 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2qbk n GLN 93 N -0.00 -4.11 -1.63 3.49 1.13 -1.26 -3.64 117.38 111.35 2qbk n GLN 93 Ca 0.00 3.04 -0.44 0.00 -1.94 0.00 0.00 57.00 57.67 2qbk n GLN 93 Cb 0.00 -3.41 -0.01 0.00 0.11 0.00 0.00 30.24 26.93 2qbk n GLN 93 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2qbk n PRO 94 N -0.63 1.62 0.08 -1.09 -0.04 -1.26 -1.74 135.00 131.94 2qbk n PRO 94 Ca 0.00 0.57 0.12 0.00 -0.04 0.00 0.00 63.50 64.14 2qbk n PRO 94 Cb 0.00 -2.01 0.08 0.00 -0.04 0.00 0.00 33.50 31.53 2qbk n PRO 94 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 2qbk h ILE 95 N 2.19 0.00 -2.66 0.52 2.10 -1.88 -3.43 117.51 114.35 2qbk h ILE 95 Ca -0.42 -0.74 -0.45 0.00 1.08 0.00 0.00 64.86 64.33 2qbk h ILE 95 Cb 1.32 1.27 0.03 0.00 -1.09 0.00 0.00 36.82 38.35 2qbk h ILE 95 CO 0.61 0.00 -0.08 -0.83 -1.08 0.00 0.00 178.15 176.77 2qbk s GLY 96 N -4.00 1.64 -0.18 8.18 0.00 -1.26 -5.03 107.32 106.66 2qbk s GLY 96 Ca 0.03 -1.14 -0.14 0.00 0.00 0.00 0.00 44.72 43.47 2qbk s GLY 96 CO 0.76 -0.94 -0.17 -1.30 0.00 0.00 0.00 173.10 171.45 2qbk n THR 97 N -2.14 1.47 -3.85 0.90 -2.24 -1.26 -4.97 114.28 102.20 2qbk n THR 97 Ca 0.03 0.09 -0.34 0.00 -2.27 0.00 0.00 64.05 61.56 2qbk n THR 97 Cb 0.58 -2.26 -0.05 0.00 -2.10 0.00 0.00 70.33 66.50 2qbk n THR 97 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2qbk s ARG 98 N -2.45 3.49 -0.14 -0.78 1.81 -1.26 -5.05 118.95 114.56 2qbk s ARG 98 Ca -0.23 -0.24 0.00 0.00 -1.72 0.00 0.00 55.73 53.54 2qbk s ARG 98 Cb 0.05 -3.08 -0.01 0.00 -0.45 0.00 0.00 34.95 31.46 2qbk s ARG 98 CO 0.37 0.66 -0.15 0.42 -0.68 0.00 0.00 175.30 175.92 2qbk s ILE 99 N -1.33 2.78 0.41 1.52 1.09 -1.26 -3.14 121.20 121.27 2qbk s ILE 99 Ca 0.28 -0.74 0.02 0.00 -1.10 0.00 0.00 60.65 59.10 2qbk s ILE 99 Cb -0.13 -2.16 -0.01 0.00 -1.06 0.00 0.00 42.46 39.10 2qbk s ILE 99 CO 0.18 0.52 0.61 -0.36 -0.10 0.00 0.00 174.94 175.79 2qbk s PHE 100 N 0.60 3.22 0.49 3.97 0.40 0.56 -4.70 117.98 122.53 2qbk s PHE 100 Ca -0.09 0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.38 2qbk s PHE 100 Cb -0.16 -2.20 0.00 0.00 0.51 0.00 0.00 43.02 41.17 2qbk s PHE 100 CO 0.03 -0.24 0.00 0.41 0.70 0.00 0.00 175.22 176.13 2qbk n GLY 101 N -1.95 -3.70 3.77 4.36 0.00 -1.26 -4.73 105.19 101.67 2qbk n GLY 101 Ca 0.00 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 2qbk n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qbk s PRO 102 N -4.90 4.08 0.00 1.61 0.04 -1.26 -4.66 135.00 129.91 2qbk s PRO 102 Ca 0.00 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2qbk s PRO 102 Cb 0.00 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.83 2qbk s PRO 102 CO 0.00 -0.31 0.00 1.33 0.04 0.00 0.00 177.00 178.06 2qbk n VAL 103 N 0.14 0.00 -4.19 -0.36 0.24 -1.24 -4.85 118.33 108.07 2qbk n VAL 103 Ca 0.04 -0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 62.10 2qbk n VAL 103 Cb 0.46 -0.75 -0.07 0.00 -1.47 0.00 0.00 33.84 32.00 2qbk n VAL 103 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2qbk s THR 104 N 0.51 2.72 -2.26 3.34 -4.23 -1.24 -4.18 115.64 110.30 2qbk s THR 104 Ca 0.00 -1.79 0.23 0.00 -1.18 0.00 0.00 61.69 58.95 2qbk s THR 104 Cb -0.00 -2.92 0.53 0.00 1.34 0.00 0.00 72.50 71.45 2qbk s THR 104 CO 0.00 -0.15 1.69 -2.11 -0.54 0.00 0.00 174.62 173.51 2qbk n ARG 105 N -1.10 1.52 0.10 3.99 0.00 -0.85 -3.70 116.66 116.61 2qbk n ARG 105 Ca -0.03 -0.77 -0.16 0.00 -0.00 0.00 0.00 57.85 56.90 2qbk n ARG 105 Cb 0.62 -1.41 -0.11 0.00 -0.00 0.00 0.00 32.46 31.57 2qbk n ARG 105 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2qbk h GLU 106 N 1.65 0.33 0.00 2.89 3.07 -1.96 -3.20 114.58 117.36 2qbk h GLU 106 Ca 0.00 -0.49 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 2qbk h GLU 106 Cb 0.36 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2qbk h GLU 106 CO 0.00 1.20 0.00 1.28 -1.40 0.00 0.00 179.01 180.09 2qbk n LEU 107 N -3.61 0.00 -0.62 1.33 4.32 -1.24 -3.89 117.00 113.29 2qbk n LEU 107 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 2qbk n LEU 107 Cb 0.97 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.77 2qbk n LEU 107 CO 0.54 0.00 0.19 -2.11 -1.22 0.00 0.00 177.39 174.78 2qbk n ARG 108 N -0.66 0.59 -2.57 3.23 -4.01 -1.21 -4.15 116.66 107.89 2qbk n ARG 108 Ca 0.06 0.00 -0.36 0.00 -1.04 0.00 0.00 57.85 56.51 2qbk n ARG 108 Cb 0.03 -1.27 -0.04 0.00 -3.04 0.00 0.00 32.46 28.13 2qbk n ARG 108 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 2qbk s SER 109 N -0.06 6.75 0.00 2.89 1.04 -1.25 -4.86 113.70 118.21 2qbk s SER 109 Ca 0.00 2.00 0.00 0.00 0.48 0.00 0.00 55.95 58.43 2qbk s SER 109 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2qbk s SER 109 CO 0.00 -0.50 0.20 -0.62 0.98 0.00 0.00 173.24 173.30 2qbk n GLU 110 N -0.15 0.26 -0.02 4.02 4.71 -1.26 -1.70 120.64 126.50 2qbk n GLU 110 Ca 0.05 0.00 -0.00 0.00 -0.01 0.00 0.00 57.16 57.20 2qbk n GLU 110 Cb 0.50 -1.06 -0.05 0.00 -1.01 0.00 0.00 31.44 29.82 2qbk n GLU 110 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2qbk n LYS 111 N -0.07 1.69 0.00 3.49 0.00 -1.26 -4.64 118.16 117.37 2qbk n LYS 111 Ca 0.00 -0.03 0.03 0.00 -0.00 0.00 0.00 58.31 58.31 2qbk n LYS 111 Cb 0.03 -1.16 0.01 0.00 -0.00 0.00 0.00 35.03 33.91 2qbk n LYS 111 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2qbk n PHE 112 N -1.99 0.00 -0.14 5.58 0.99 -0.74 -4.81 117.46 116.34 2qbk n PHE 112 Ca -0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.36 2qbk n PHE 112 Cb 0.45 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 38.91 2qbk n PHE 112 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 2qbk n MET 113 N -0.12 -0.14 -0.24 -1.08 2.81 -0.69 0.24 117.12 117.90 2qbk n MET 113 Ca 0.03 0.53 0.24 0.00 -1.81 0.00 0.00 57.70 56.69 2qbk n MET 113 Cb 0.15 -0.78 0.44 0.00 -0.71 0.00 0.00 33.22 32.32 2qbk n MET 113 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2qbk n LYS 114 N -4.45 -0.05 0.03 0.03 3.00 -1.26 -1.33 118.16 114.13 2qbk n LYS 114 Ca 0.01 1.05 -0.09 0.00 -0.00 0.00 0.00 58.31 59.29 2qbk n LYS 114 Cb 0.10 -1.88 -0.07 0.00 0.00 0.00 0.00 35.03 33.18 2qbk n LYS 114 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.40 178.37 2qbk h ILE 115 N 0.00 0.72 -0.16 3.15 2.10 -0.60 -3.29 117.51 119.44 2qbk h ILE 115 Ca 0.64 -1.23 0.05 0.00 1.08 0.00 0.00 64.86 65.40 2qbk h ILE 115 Cb 1.67 1.27 -0.01 0.00 -1.09 0.00 0.00 36.82 38.67 2qbk h ILE 115 CO -0.59 0.21 0.18 0.16 -1.08 0.00 0.00 178.15 177.03 2qbk h ILE 116 N -0.94 0.46 0.00 2.19 -0.00 -1.29 -1.70 117.51 116.23 2qbk h ILE 116 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.84 2qbk h ILE 116 Cb 0.48 0.85 0.00 0.00 -0.00 0.00 0.00 36.82 38.15 2qbk h ILE 116 CO 0.03 0.00 0.00 -1.54 -0.00 0.00 0.00 178.15 176.64 2qbk n SER 117 N -3.78 1.15 -4.29 2.16 3.41 -0.57 -4.73 113.62 106.96 2qbk n SER 117 Ca 0.01 -1.28 -0.32 0.00 -0.26 0.00 0.00 58.87 57.02 2qbk n SER 117 Cb 0.30 -0.32 -0.16 0.00 -0.26 0.00 0.00 64.21 63.77 2qbk n SER 117 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qbk s LEU 118 N 0.00 2.25 0.00 1.04 1.02 -0.64 -5.06 118.68 117.30 2qbk s LEU 118 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 54.13 53.68 2qbk s LEU 118 Cb 0.00 -1.45 0.00 0.00 0.02 0.00 0.00 46.19 44.76 2qbk s LEU 118 CO 0.00 0.21 0.00 0.00 0.02 0.00 0.00 176.35 176.58 2qbk n ALA 119 N 3.20 0.00 0.00 4.21 0.00 -1.26 -4.41 120.51 122.25 2qbk n ALA 119 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2qbk n ALA 119 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2qbk n ALA 119 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2qbk n PRO 120 N -0.34 0.00 -1.31 0.00 -0.02 -1.26 -4.96 135.00 127.11 2qbk n PRO 120 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2qbk n PRO 120 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2qbk n PRO 120 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qbk n GLU 121 N 0.00 0.00 0.00 -0.52 1.02 -1.26 -4.90 120.64 114.97 2qbk n GLU 121 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2qbk n GLU 121 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2qbk n GLU 121 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59