#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbi n LEU 3 N 0.00 0.00 0.00 6.15 4.77 -1.26 -4.02 117.00 122.64 2qbi n LEU 3 Ca 0.00 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 2qbi n LEU 3 Cb 0.00 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 2qbi n LEU 3 CO 0.00 -2.19 0.00 0.59 -1.33 0.00 0.00 177.39 174.46 2qbi n ASN 4 N -4.68 0.00 -0.31 -1.43 5.03 -1.26 -4.29 115.26 108.32 2qbi n ASN 4 Ca 0.09 0.00 0.25 0.00 0.87 0.00 0.00 54.58 55.79 2qbi n ASN 4 Cb 0.40 0.00 0.40 0.00 -1.02 0.00 0.00 39.78 39.56 2qbi n ASN 4 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2qbi n THR 5 N 0.00 -0.07 -2.74 3.41 -2.24 -1.26 -4.22 114.28 107.16 2qbi n THR 5 Ca 0.00 0.90 -0.43 0.00 -2.27 0.00 0.00 64.05 62.25 2qbi n THR 5 Cb 0.00 -1.48 -0.03 0.00 -2.10 0.00 0.00 70.33 66.72 2qbi n THR 5 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2qbi s LEU 6 N -6.84 3.98 0.28 3.22 2.34 -1.26 -5.04 118.68 115.36 2qbi s LEU 6 Ca -0.03 0.89 0.09 0.00 0.06 0.00 0.00 54.13 55.13 2qbi s LEU 6 Cb 0.16 -3.39 -0.04 0.00 -0.56 0.00 0.00 46.19 42.36 2qbi s LEU 6 CO 0.46 -0.82 0.09 -0.44 -1.06 0.00 0.00 176.35 174.59 2qbi s SER 7 N 1.68 4.88 1.13 1.48 0.01 -1.26 -5.10 113.70 116.52 2qbi s SER 7 Ca 0.41 -0.55 -0.13 0.00 1.31 0.00 0.00 55.95 56.99 2qbi s SER 7 Cb -0.13 -0.98 0.27 0.00 0.21 0.00 0.00 66.02 65.39 2qbi s SER 7 CO 0.15 -0.09 1.04 -2.84 0.41 0.00 0.00 173.24 171.92 2qbi s PRO 8 N -3.77 -0.68 1.40 12.44 0.02 -1.26 -5.01 135.00 138.14 2qbi s PRO 8 Ca 0.34 0.71 -0.23 0.00 0.02 0.00 0.00 61.00 61.83 2qbi s PRO 8 Cb -0.06 -1.59 0.36 0.00 0.02 0.00 0.00 34.50 33.23 2qbi s PRO 8 CO 0.22 -3.53 0.97 0.00 -0.33 0.00 0.00 177.00 174.33 2qbi s ALA 9 N -2.60 -0.44 -1.15 -1.55 0.00 -1.26 -4.89 121.76 109.88 2qbi s ALA 9 Ca 0.68 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 51.62 2qbi s ALA 9 Cb -0.23 -2.90 0.25 0.00 0.00 0.00 0.00 23.12 20.24 2qbi s ALA 9 CO 0.63 -4.45 1.25 -1.91 0.00 0.00 0.00 175.76 171.28 2qbi n GLU 10 N -5.51 3.58 0.00 0.00 4.07 -1.26 -3.86 120.64 117.66 2qbi n GLU 10 Ca 0.14 -4.29 0.00 0.00 -0.06 0.00 0.00 57.16 52.95 2qbi n GLU 10 Cb 0.60 -2.68 0.00 0.00 -0.06 0.00 0.00 31.44 29.30 2qbi n GLU 10 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2qbi n GLY 11 N 2.93 -0.30 0.12 8.31 0.00 -1.26 -5.03 105.19 109.95 2qbi n GLY 11 Ca 0.28 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.22 2qbi n GLY 11 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2qbi h SER 12 N 0.00 -0.10 -3.53 1.61 0.02 -1.93 -3.39 113.55 106.22 2qbi h SER 12 Ca 0.00 0.05 -0.64 0.00 -0.84 0.00 0.00 61.79 60.37 2qbi h SER 12 Cb 0.00 0.10 -0.20 0.00 0.14 0.00 0.00 62.40 62.44 2qbi h SER 12 CO 0.00 -0.02 -0.60 -0.54 -1.14 0.00 0.00 176.83 174.53 2qbi s LYS 13 N -6.19 3.78 -0.63 3.45 -0.14 -1.26 -5.00 119.74 113.76 2qbi s LYS 13 Ca -0.13 -0.42 0.00 0.00 -1.36 0.00 0.00 55.97 54.06 2qbi s LYS 13 Cb 0.11 -3.29 0.42 0.00 -1.68 0.00 0.00 37.83 33.39 2qbi s LYS 13 CO 0.69 -0.01 1.79 1.63 -0.76 0.00 0.00 175.35 178.69 2qbi n LYS 14 N 4.40 2.95 0.00 1.68 4.76 -1.26 -5.03 118.16 125.66 2qbi n LYS 14 Ca -0.16 -3.64 0.00 0.00 -2.87 0.00 0.00 58.31 51.64 2qbi n LYS 14 Cb 0.52 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.43 2qbi n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qbi n ALA 15 N -0.73 0.00 0.00 7.82 0.00 -1.26 -4.82 120.51 121.52 2qbi n ALA 15 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2qbi n ALA 15 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2qbi n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbi n GLY 16 N 0.00 4.40 3.41 0.00 0.00 -1.26 -5.14 105.19 106.60 2qbi n GLY 16 Ca 0.00 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 2qbi n GLY 16 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qbi n LYS 17 N -1.60 -0.84 0.09 1.61 2.85 -1.26 -4.98 118.16 114.03 2qbi n LYS 17 Ca 0.00 -0.21 0.00 0.00 -1.05 0.00 0.00 58.31 57.05 2qbi n LYS 17 Cb 0.00 -1.90 0.00 0.00 -0.65 0.00 0.00 35.03 32.48 2qbi n LYS 17 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qbi n ARG 18 N -2.34 0.00 -1.26 -1.58 1.74 -1.26 -5.17 116.66 106.79 2qbi n ARG 18 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2qbi n ARG 18 Cb 0.56 -0.07 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 2qbi n ARG 18 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qbi n LEU 19 N -3.19 -1.40 -3.82 0.55 4.32 -1.26 -4.84 117.00 107.36 2qbi n LEU 19 Ca 0.00 2.30 -0.23 0.00 -0.02 0.00 0.00 56.01 58.06 2qbi n LEU 19 Cb 0.00 -2.31 0.01 0.00 -1.62 0.00 0.00 43.42 39.50 2qbi n LEU 19 CO 0.00 -0.56 -0.14 0.61 -1.22 0.00 0.00 177.39 176.08 2qbi n GLY 20 N -2.26 -0.26 2.73 -0.72 0.00 0.28 -4.92 105.19 100.04 2qbi n GLY 20 Ca 0.00 0.14 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 2qbi n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbi n ARG 21 N -4.33 1.36 0.00 1.61 5.12 -1.26 -5.00 116.66 114.16 2qbi n ARG 21 Ca -0.30 -3.30 0.00 0.00 -1.93 0.00 0.00 57.85 52.32 2qbi n ARG 21 Cb 0.68 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.64 2qbi n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qbi n GLY 22 N -0.29 -0.40 0.35 -0.13 0.00 -1.26 -4.37 105.19 99.09 2qbi n GLY 22 Ca 0.08 -1.67 -0.03 0.00 0.00 0.00 0.00 46.02 44.40 2qbi n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qbi h ILE 23 N 0.00 1.24 -0.66 -0.61 2.04 -1.97 -3.14 117.51 114.41 2qbi h ILE 23 Ca 0.00 -0.62 0.13 0.00 1.00 0.00 0.00 64.86 65.37 2qbi h ILE 23 Cb 0.00 0.18 -0.13 0.00 -0.74 0.00 0.00 36.82 36.14 2qbi h ILE 23 CO 0.00 0.27 -0.17 1.23 0.00 0.00 0.00 178.15 179.48 2qbi h GLY 24 N 1.15 0.46 1.29 5.37 0.00 -1.99 0.33 103.07 109.66 2qbi h GLY 24 Ca 0.28 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.83 2qbi h GLY 24 CO -0.04 -0.25 0.00 -1.14 0.00 0.00 0.00 176.54 175.11 2qbi n SER 25 N -5.45 0.00 0.00 0.19 3.41 -1.18 -4.73 113.62 105.86 2qbi n SER 25 Ca 0.08 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 2qbi n SER 25 Cb 0.34 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2qbi n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbi n GLY 26 N -1.15 0.05 2.52 5.00 0.00 0.11 -4.77 105.19 106.96 2qbi n GLY 26 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2qbi n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbi n LEU 27 N 0.00 2.24 0.00 0.99 4.77 -1.26 -4.85 117.00 118.89 2qbi n LEU 27 Ca 0.00 -4.65 0.00 0.00 -0.03 0.00 0.00 56.01 51.33 2qbi n LEU 27 Cb 0.28 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2qbi n LEU 27 CO 0.00 2.02 0.00 0.61 -1.33 0.00 0.00 177.39 178.69 2qbi n GLY 28 N -0.05 -1.56 3.35 -0.72 0.00 -1.24 -0.56 105.19 104.41 2qbi n GLY 28 Ca 0.22 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 2qbi n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qbi n LYS 29 N 0.00 0.22 -3.92 1.61 2.85 -1.26 -1.76 118.16 115.90 2qbi n LYS 29 Ca 0.00 0.09 -0.28 0.00 -1.05 0.00 0.00 58.31 57.07 2qbi n LYS 29 Cb 0.00 -1.45 0.01 0.00 -0.65 0.00 0.00 35.03 32.94 2qbi n LYS 29 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2qbi n THR 30 N -1.98 -2.58 0.00 0.58 -2.24 -1.26 -4.35 114.28 102.44 2qbi n THR 30 Ca 0.08 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2qbi n THR 30 Cb 0.49 -2.86 0.00 0.00 -2.10 0.00 0.00 70.33 65.86 2qbi n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbi n GLY 31 N -1.66 0.00 4.33 3.38 0.00 -0.72 0.16 105.19 110.67 2qbi n GLY 31 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 2qbi n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbi n GLY 32 N 0.00 -0.16 0.33 -0.02 0.00 -1.26 -4.83 105.19 99.24 2qbi n GLY 32 Ca 0.00 0.16 0.03 0.00 0.00 0.00 0.00 46.02 46.21 2qbi n GLY 32 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qbi n ARG 33 N -4.51 0.46 -0.23 1.61 1.85 0.12 -5.14 116.66 110.82 2qbi n ARG 33 Ca -0.27 -1.44 0.03 0.00 -1.00 0.00 0.00 57.85 55.17 2qbi n ARG 33 Cb 0.67 -0.80 -0.01 0.00 -1.05 0.00 0.00 32.46 31.26 2qbi n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2qbi n GLY 34 N -0.43 -1.80 3.41 2.89 0.00 -1.26 -4.69 105.19 103.31 2qbi n GLY 34 Ca 0.05 -1.30 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 2qbi n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qbi s HIS 35 N -0.58 3.08 0.26 1.61 3.76 -1.26 -4.87 115.29 117.28 2qbi s HIS 35 Ca 0.00 -0.57 0.00 0.00 -0.15 0.00 0.00 55.06 54.34 2qbi s HIS 35 Cb 0.00 -2.22 0.00 0.00 1.11 0.00 0.00 32.58 31.47 2qbi s HIS 35 CO 0.00 -0.42 0.00 1.63 -0.85 0.00 0.00 174.74 175.10 2qbi n LYS 36 N 4.90 -1.80 0.00 1.40 5.02 -1.26 -5.06 118.16 121.36 2qbi n LYS 36 Ca -0.16 1.29 0.00 0.00 -2.02 0.00 0.00 58.31 57.42 2qbi n LYS 36 Cb 0.51 -2.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 2qbi n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qbi n GLY 37 N -3.12 2.80 0.29 0.72 0.00 -1.26 -4.65 105.19 99.97 2qbi n GLY 37 Ca -0.01 -1.78 0.02 0.00 0.00 0.00 0.00 46.02 44.24 2qbi n GLY 37 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2qbi h GLN 38 N 0.00 0.71 -0.13 1.61 4.15 -1.98 0.10 115.11 119.57 2qbi h GLN 38 Ca 0.00 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.41 2qbi h GLN 38 Cb 0.00 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.53 2qbi h GLN 38 CO 0.00 0.47 0.48 0.87 -1.93 0.00 0.00 178.83 178.72 2qbi h LYS 39 N 0.73 0.00 -6.76 1.69 1.79 -1.90 -2.27 116.57 109.86 2qbi h LYS 39 Ca 0.36 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 58.35 2qbi h LYS 39 Cb 0.32 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.01 2qbi h LYS 39 CO -0.24 0.00 -0.05 -1.54 -1.08 0.00 0.00 179.45 176.55 2qbi s SER 40 N -4.36 4.89 0.24 0.86 1.04 0.02 -4.26 113.70 112.14 2qbi s SER 40 Ca -0.03 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.61 2qbi s SER 40 Cb 0.09 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2qbi s SER 40 CO 0.30 -1.50 0.00 0.54 0.98 0.00 0.00 173.24 173.56 2qbi n ARG 41 N -2.40 -1.71 -1.26 4.02 1.74 -1.26 -4.06 116.66 111.74 2qbi n ARG 41 Ca 0.16 1.32 -0.36 0.00 -0.77 0.00 0.00 57.85 58.21 2qbi n ARG 41 Cb 0.62 -1.65 0.08 0.00 -1.02 0.00 0.00 32.46 30.49 2qbi n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2qbi n SER 42 N -1.91 -0.45 0.00 0.55 3.41 -1.26 -0.27 113.62 113.70 2qbi n SER 42 Ca 0.00 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 2qbi n SER 42 Cb 0.19 -1.31 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 2qbi n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbi n GLY 43 N 1.35 0.18 3.55 5.00 0.00 -1.26 -4.90 105.19 109.10 2qbi n GLY 43 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2qbi n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbi n GLY 44 N -2.00 -1.13 0.00 -0.02 0.00 0.63 -4.91 105.19 97.76 2qbi n GLY 44 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2qbi n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbi n GLY 45 N 0.86 2.76 3.90 -0.02 0.00 -0.85 -4.89 105.19 106.95 2qbi n GLY 45 Ca 0.10 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.21 2qbi n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qbi s VAL 46 N -1.39 3.18 0.07 1.61 -7.23 -1.26 -4.93 120.40 110.46 2qbi s VAL 46 Ca 0.00 0.16 -0.01 0.00 -1.81 0.00 0.00 61.98 60.32 2qbi s VAL 46 Cb 0.00 -3.34 0.02 0.00 0.56 0.00 0.00 36.38 33.62 2qbi s VAL 46 CO 0.00 -0.41 0.05 -2.11 -0.31 0.00 0.00 175.10 172.32 2qbi n ARG 47 N -2.90 -1.62 -3.08 4.82 1.85 -1.26 -4.98 116.66 109.49 2qbi n ARG 47 Ca 0.06 -0.09 -0.39 0.00 -1.00 0.00 0.00 57.85 56.44 2qbi n ARG 47 Cb 0.58 -0.09 -0.05 0.00 -1.05 0.00 0.00 32.46 31.84 2qbi n ARG 47 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2qbi s ARG 48 N -3.12 4.42 -1.42 2.89 3.52 -1.26 -4.16 118.95 119.82 2qbi s ARG 48 Ca 0.04 0.94 -0.03 0.00 -0.13 0.00 0.00 55.73 56.55 2qbi s ARG 48 Cb -0.00 -3.33 0.02 0.00 -1.56 0.00 0.00 34.95 30.08 2qbi s ARG 48 CO 0.03 0.39 0.56 0.41 -0.81 0.00 0.00 175.30 175.88 2qbi n GLY 49 N 2.23 -0.28 3.15 8.12 0.00 -1.26 -4.91 105.19 112.24 2qbi n GLY 49 Ca -0.05 0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 2qbi n GLY 49 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qbi n PHE 50 N -4.39 4.35 -1.54 1.61 -0.00 -1.26 -4.81 117.46 111.43 2qbi n PHE 50 Ca -0.25 -3.85 -0.16 0.00 -0.00 0.00 0.00 57.45 53.19 2qbi n PHE 50 Cb 0.66 -1.34 -0.12 0.00 -0.00 0.00 0.00 39.48 38.68 2qbi n PHE 50 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2qbi n GLU 51 N 2.23 0.40 0.00 -4.13 1.02 -1.26 -4.56 120.64 114.33 2qbi n GLU 51 Ca 0.24 -0.61 0.00 0.00 -0.02 0.00 0.00 57.16 56.77 2qbi n GLU 51 Cb 0.37 -2.92 0.00 0.00 -0.02 0.00 0.00 31.44 28.88 2qbi n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qbi n GLY 52 N 6.43 0.37 0.00 0.62 0.00 -1.26 -2.43 105.19 108.92 2qbi n GLY 52 Ca 0.53 0.62 0.00 0.00 0.00 0.00 0.00 46.02 47.18 2qbi n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbi n GLY 53 N 0.00 0.00 0.00 -0.02 0.00 -1.26 -5.11 105.19 98.79 2qbi n GLY 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qbi n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbi n GLN 54 N -0.23 0.04 -2.67 1.61 10.64 -1.02 -4.88 117.38 120.88 2qbi n GLN 54 Ca 0.00 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.74 2qbi n GLN 54 Cb 0.00 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.36 2qbi n GLN 54 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 2qbi s MET 55 N -1.05 3.98 1.00 2.61 -2.45 -1.26 -4.79 119.30 117.34 2qbi s MET 55 Ca 0.00 0.91 -0.13 0.00 -1.25 0.00 0.00 55.69 55.22 2qbi s MET 55 Cb 0.00 -3.77 0.11 0.00 1.25 0.00 0.00 34.83 32.41 2qbi s MET 55 CO 0.00 -0.97 0.59 -2.30 1.05 0.00 0.00 175.02 173.39 2qbi n PRO 56 N 6.97 -0.81 -0.17 4.11 -0.02 -1.26 -4.66 135.00 139.17 2qbi n PRO 56 Ca 0.11 -0.19 -0.08 0.00 -2.02 0.00 0.00 63.50 61.32 2qbi n PRO 56 Cb 0.48 -2.00 0.01 0.00 -0.02 0.00 0.00 33.50 31.97 2qbi n PRO 56 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2qbi h LEU 57 N -1.87 0.66 -1.64 2.45 5.85 -1.95 -1.55 115.31 117.27 2qbi h LEU 57 Ca -0.47 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.11 2qbi h LEU 57 Cb 1.30 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2qbi h LEU 57 CO 0.38 0.62 0.00 0.00 -0.34 0.00 0.00 178.44 179.10 2qbi n TYR 58 N -4.59 0.00 0.04 1.25 0.18 -1.26 -3.28 117.16 109.49 2qbi n TYR 58 Ca 0.02 -0.18 0.00 0.00 1.88 0.00 0.00 57.90 59.62 2qbi n TYR 58 Cb 0.13 -0.14 0.00 0.00 -0.38 0.00 0.00 39.34 38.95 2qbi n TYR 58 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2qbi n ARG 59 N 0.53 0.00 0.00 -3.48 5.12 -0.62 -4.78 116.66 113.43 2qbi n ARG 59 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2qbi n ARG 59 Cb 0.23 -0.10 0.00 0.00 -1.16 0.00 0.00 32.46 31.44 2qbi n ARG 59 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2qbi n ARG 60 N -2.87 0.22 -3.95 5.56 0.00 -0.97 -4.50 116.66 110.14 2qbi n ARG 60 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.57 2qbi n ARG 60 Cb 0.00 -1.11 -0.17 0.00 -0.00 0.00 0.00 32.46 31.18 2qbi n ARG 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2qbi s LEU 61 N -0.00 1.34 0.89 2.89 1.02 -1.22 -5.08 118.68 118.51 2qbi s LEU 61 Ca 0.00 -0.36 -0.13 0.00 0.02 0.00 0.00 54.13 53.67 2qbi s LEU 61 Cb 0.00 -0.94 0.06 0.00 0.02 0.00 0.00 46.19 45.33 2qbi s LEU 61 CO 0.00 -0.10 0.76 -2.65 0.02 0.00 0.00 176.35 174.39 2qbi n PRO 62 N 4.87 -0.16 -4.44 1.29 -0.02 -1.26 -4.97 135.00 130.30 2qbi n PRO 62 Ca -0.14 0.01 -0.34 0.00 -2.02 0.00 0.00 63.50 61.02 2qbi n PRO 62 Cb 0.50 -2.10 -0.15 0.00 -0.02 0.00 0.00 33.50 31.74 2qbi n PRO 62 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2qbi s LYS 63 N -3.86 3.32 -1.10 -0.52 -2.85 -1.26 -5.06 119.74 108.41 2qbi s LYS 63 Ca 0.64 -0.69 -0.09 0.00 -1.00 0.00 0.00 55.97 54.82 2qbi s LYS 63 Cb -0.25 -2.73 0.28 0.00 -2.06 0.00 0.00 37.83 33.07 2qbi s LYS 63 CO 0.61 0.03 1.10 -0.59 0.10 0.00 0.00 175.35 176.60 2qbi s PHE 64 N 0.81 4.26 0.00 1.78 -0.12 -1.26 -5.04 117.98 118.41 2qbi s PHE 64 Ca -0.04 -2.68 0.00 0.00 -0.05 0.00 0.00 56.93 54.16 2qbi s PHE 64 Cb -0.15 -3.83 0.00 0.00 -0.63 0.00 0.00 43.02 38.41 2qbi s PHE 64 CO 0.01 -0.95 0.00 0.41 -0.05 0.00 0.00 175.22 174.64 2qbi n GLY 65 N 2.72 -2.88 0.06 1.99 0.00 -1.26 -5.01 105.19 100.81 2qbi n GLY 65 Ca 0.24 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2qbi n GLY 65 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qbi n PHE 66 N -1.38 0.00 -4.27 1.61 7.35 -1.26 -5.09 117.46 114.42 2qbi n PHE 66 Ca 0.00 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.49 2qbi n PHE 66 Cb 0.00 -1.23 -0.16 0.00 0.35 0.00 0.00 39.48 38.45 2qbi n PHE 66 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2qbi s THR 67 N -0.65 0.64 0.08 -2.13 -4.23 -1.26 -5.06 115.64 103.02 2qbi s THR 67 Ca 0.00 -0.24 -0.11 0.00 -1.18 0.00 0.00 61.69 60.15 2qbi s THR 67 Cb 0.00 -0.60 0.01 0.00 1.34 0.00 0.00 72.50 73.25 2qbi s THR 67 CO 0.00 0.22 0.64 -1.54 -0.54 0.00 0.00 174.62 173.41 2qbi n SER 68 N 3.59 -0.39 -0.87 3.99 3.41 -1.26 -4.72 113.62 117.36 2qbi n SER 68 Ca -0.21 0.74 -0.11 0.00 -0.26 0.00 0.00 58.87 59.03 2qbi n SER 68 Cb 0.53 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.32 2qbi n SER 68 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2qbi n ARG 69 N -4.55 -1.57 0.00 4.33 0.00 -1.26 -4.45 116.66 109.16 2qbi n ARG 69 Ca 0.02 0.88 0.00 0.00 -0.00 0.00 0.00 57.85 58.75 2qbi n ARG 69 Cb 0.13 -5.24 0.00 0.00 0.00 0.00 0.00 32.46 27.35 2qbi n ARG 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2qbi n LYS 70 N -1.11 0.00 0.33 -0.14 4.81 -1.26 -4.84 118.16 115.95 2qbi n LYS 70 Ca -0.11 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.51 2qbi n LYS 70 Cb 0.57 -0.10 0.95 0.00 0.02 0.00 0.00 35.03 36.47 2qbi n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qbi h ALA 71 N 0.00 1.25 0.00 3.14 0.00 -1.93 0.55 119.26 122.27 2qbi h ALA 71 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2qbi h ALA 71 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2qbi h ALA 71 CO 0.00 -0.23 -0.22 0.00 0.00 0.00 0.00 179.25 178.80 2qbi h ALA 72 N 1.57 1.40 -0.45 0.00 0.00 -1.92 -0.83 119.26 119.02 2qbi h ALA 72 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2qbi h ALA 72 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2qbi h ALA 72 CO -0.00 0.28 0.00 0.44 0.00 0.00 0.00 179.25 179.97 2qbi n ILE 73 N -3.93 0.59 -3.91 0.00 -5.35 0.19 -4.85 119.36 102.10 2qbi n ILE 73 Ca -0.02 -0.72 -0.35 0.00 -0.27 0.00 0.00 62.75 61.39 2qbi n ILE 73 Cb 0.31 0.66 -0.08 0.00 -1.74 0.00 0.00 39.64 38.78 2qbi n ILE 73 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2qbi s THR 74 N -1.41 5.10 0.47 7.28 2.01 -0.32 -0.25 115.64 128.52 2qbi s THR 74 Ca 0.39 0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.52 2qbi s THR 74 Cb 0.22 -3.28 0.06 0.00 0.01 0.00 0.00 72.50 69.50 2qbi s THR 74 CO 0.30 0.49 0.53 0.00 -0.69 0.00 0.00 174.62 175.25 2qbi n ALA 75 N 3.16 0.89 -3.50 7.40 0.00 0.17 -4.96 120.51 123.67 2qbi n ALA 75 Ca -0.17 -1.80 -0.29 0.00 0.00 0.00 0.00 53.44 51.18 2qbi n ALA 75 Cb 0.53 0.60 -0.14 0.00 0.00 0.00 0.00 19.45 20.44 2qbi n ALA 75 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2qbi s GLU 76 N -4.06 0.35 0.57 0.00 2.12 -1.26 -3.57 118.70 112.85 2qbi s GLU 76 Ca 0.40 -0.87 -0.17 0.00 0.36 0.00 0.00 54.97 54.68 2qbi s GLU 76 Cb -0.03 -1.21 -0.04 0.00 0.26 0.00 0.00 34.13 33.11 2qbi s GLU 76 CO 0.25 -1.10 1.08 0.42 -0.54 0.00 0.00 175.26 175.37 2qbi s ILE 77 N 1.65 3.53 0.00 -3.70 1.01 0.06 -4.98 121.20 118.77 2qbi s ILE 77 Ca 0.13 0.82 0.06 0.00 0.00 0.00 0.00 60.65 61.66 2qbi s ILE 77 Cb -0.19 -3.31 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 2qbi s ILE 77 CO -0.20 -0.34 -0.20 -0.13 0.00 0.00 0.00 174.94 174.07 2qbi s ARG 78 N -3.72 1.54 0.50 2.79 0.52 -1.20 -3.98 118.95 115.40 2qbi s ARG 78 Ca 0.67 -0.78 0.27 0.00 -0.52 0.00 0.00 55.73 55.37 2qbi s ARG 78 Cb -0.19 -1.54 1.36 0.00 0.52 0.00 0.00 34.95 35.10 2qbi s ARG 78 CO 0.32 0.41 1.90 -0.07 0.02 0.00 0.00 175.30 177.88 2qbi h LEU 79 N 5.39 0.11 -1.62 2.53 3.38 -1.71 0.44 115.31 123.84 2qbi h LEU 79 Ca -0.40 0.01 0.09 0.00 0.09 0.00 0.00 57.88 57.67 2qbi h LEU 79 Cb 1.15 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 2qbi h LEU 79 CO 0.47 0.04 0.39 0.77 0.09 0.00 0.00 178.44 180.20 2qbi h SER 80 N 0.11 0.40 0.00 -0.43 4.64 -1.90 -3.36 113.55 113.00 2qbi h SER 80 Ca 0.41 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 2qbi h SER 80 Cb 1.46 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2qbi h SER 80 CO -0.05 0.25 0.00 0.47 -0.87 0.00 0.00 176.83 176.62 2qbi n ASP 81 N -4.47 0.00 0.00 4.97 8.00 0.15 -4.35 116.55 120.85 2qbi n ASP 81 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2qbi n ASP 81 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 2qbi n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qbi n LEU 82 N 0.00 0.00 0.02 0.64 4.77 -1.26 -4.28 117.00 116.89 2qbi n LEU 82 Ca 0.00 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 2qbi n LEU 82 Cb 0.00 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.26 2qbi n LEU 82 CO 0.00 0.00 0.62 0.00 -1.33 0.00 0.00 177.39 176.68 2qbi n ALA 83 N 0.00 1.26 -0.87 -1.18 0.00 -1.26 -0.70 120.51 117.76 2qbi n ALA 83 Ca 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2qbi n ALA 83 Cb 0.00 -1.12 0.10 0.00 0.00 0.00 0.00 19.45 18.43 2qbi n ALA 83 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2qbi n LYS 84 N -1.58 1.59 -0.07 0.00 2.85 -1.26 -4.68 118.16 115.02 2qbi n LYS 84 Ca 0.01 -2.24 0.00 0.00 -1.05 0.00 0.00 58.31 55.04 2qbi n LYS 84 Cb 0.07 -1.33 0.03 0.00 -0.65 0.00 0.00 35.03 33.15 2qbi n LYS 84 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2qbi n VAL 85 N -1.14 0.37 -2.84 0.58 3.14 0.12 -4.87 118.33 113.68 2qbi n VAL 85 Ca 0.11 -0.10 -0.06 0.00 -2.96 0.00 0.00 64.34 61.33 2qbi n VAL 85 Cb 0.55 -0.57 0.01 0.00 -1.06 0.00 0.00 33.84 32.77 2qbi n VAL 85 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2qbi n GLU 86 N 0.11 -2.74 0.00 1.45 4.07 -1.26 -4.64 120.64 117.63 2qbi n GLU 86 Ca 0.02 2.32 0.00 0.00 -0.06 0.00 0.00 57.16 59.44 2qbi n GLU 86 Cb 0.37 -5.30 0.00 0.00 -0.06 0.00 0.00 31.44 26.44 2qbi n GLU 86 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2qbi n GLY 87 N 0.12 0.89 0.00 8.31 0.00 -1.26 -4.89 105.19 108.36 2qbi n GLY 87 Ca 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2qbi n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbi n GLY 88 N 0.00 4.55 2.64 -0.02 0.00 -1.26 -4.90 105.19 106.19 2qbi n GLY 88 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2qbi n GLY 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2qbi n VAL 89 N 0.00 -1.14 -2.68 1.61 3.14 -1.24 -4.78 118.33 113.25 2qbi n VAL 89 Ca 0.00 0.15 -0.43 0.00 -2.96 0.00 0.00 64.34 61.10 2qbi n VAL 89 Cb 0.00 -2.24 0.00 0.00 -1.06 0.00 0.00 33.84 30.54 2qbi n VAL 89 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2qbi n VAL 90 N 1.88 4.08 -0.83 1.55 0.31 -0.77 -4.76 118.33 119.79 2qbi n VAL 90 Ca 0.00 -4.34 -0.32 0.00 -0.01 0.00 0.00 64.34 59.67 2qbi n VAL 90 Cb 0.15 -2.42 0.14 0.00 -0.91 0.00 0.00 33.84 30.81 2qbi n VAL 90 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2qbi n ASP 91 N 6.74 -0.18 -0.34 4.52 -0.08 -1.25 0.99 116.55 126.96 2qbi n ASP 91 Ca 0.43 0.44 0.20 0.00 -1.51 0.00 0.00 54.79 54.35 2qbi n ASP 91 Cb 0.43 -1.41 0.41 0.00 2.34 0.00 0.00 41.12 42.90 2qbi n ASP 91 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 2qbi h LEU 92 N -1.52 0.58 0.00 -2.67 -0.00 -0.50 -3.38 115.31 107.82 2qbi h LEU 92 Ca -0.44 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 2qbi h LEU 92 Cb 1.28 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 42.03 2qbi h LEU 92 CO 0.40 -0.00 0.00 -0.46 -0.00 0.00 0.00 178.44 178.38 2qbi n ASN 93 N -4.97 0.00 0.00 0.17 6.94 -1.26 -4.81 115.26 111.33 2qbi n ASN 93 Ca 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.84 2qbi n ASN 93 Cb 0.83 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.25 2qbi n ASN 93 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2qbi n THR 94 N 0.00 0.00 -0.25 5.53 -1.04 -1.26 -3.58 114.28 113.68 2qbi n THR 94 Ca 0.00 0.00 0.32 0.00 -2.04 0.00 0.00 64.05 62.33 2qbi n THR 94 Cb 0.00 0.00 0.73 0.00 -1.82 0.00 0.00 70.33 69.24 2qbi n THR 94 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2qbi h LEU 95 N 0.00 0.00 0.01 -4.42 4.07 -1.87 1.19 115.31 114.28 2qbi h LEU 95 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 2qbi h LEU 95 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2qbi h LEU 95 CO 0.00 0.00 -0.00 0.11 -1.08 0.00 0.00 178.44 177.47 2qbi h LYS 96 N 0.00 -0.01 0.00 1.13 1.57 -1.90 -0.73 116.57 116.63 2qbi h LYS 96 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2qbi h LYS 96 Cb 2.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.38 2qbi h LYS 96 CO -0.01 0.20 0.00 0.00 -0.57 0.00 0.00 179.45 179.07 2qbi n ALA 97 N -2.20 2.63 -0.25 3.86 0.00 0.34 -2.14 120.51 122.75 2qbi n ALA 97 Ca -0.08 -0.18 0.07 0.00 0.00 0.00 0.00 53.44 53.25 2qbi n ALA 97 Cb 0.12 -1.48 0.20 0.00 0.00 0.00 0.00 19.45 18.30 2qbi n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbi n ALA 98 N -0.98 2.26 -2.99 0.00 0.00 0.24 -5.03 120.51 114.00 2qbi n ALA 98 Ca 0.22 -1.22 -0.07 0.00 0.00 0.00 0.00 53.44 52.37 2qbi n ALA 98 Cb 0.10 -0.57 0.01 0.00 0.00 0.00 0.00 19.45 18.98 2qbi n ALA 98 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbi n ASN 99 N 0.79 -7.25 0.00 0.00 4.13 -0.41 -4.93 115.26 107.59 2qbi n ASN 99 Ca 0.15 0.75 0.00 0.00 1.68 0.00 0.00 54.58 57.16 2qbi n ASN 99 Cb 0.49 -3.75 0.00 0.00 -1.54 0.00 0.00 39.78 34.98 2qbi n ASN 99 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qbi n ILE 100 N 0.56 0.00 0.00 2.41 3.06 -1.02 -5.00 119.36 119.37 2qbi n ILE 100 Ca 0.01 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.26 2qbi n ILE 100 Cb 0.33 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.51 2qbi n ILE 100 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 2qbi n ILE 101 N 0.00 0.00 0.00 9.51 2.08 -1.25 -4.93 119.36 124.77 2qbi n ILE 101 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2qbi n ILE 101 Cb 0.00 -0.27 0.00 0.00 -0.75 0.00 0.00 39.64 38.62 2qbi n ILE 101 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2qbi n GLY 102 N 2.31 3.41 0.55 7.39 0.00 -1.26 -4.85 105.19 112.75 2qbi n GLY 102 Ca 0.00 -0.33 0.40 0.00 0.00 0.00 0.00 46.02 46.09 2qbi n GLY 102 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qbi h ILE 103 N 0.00 0.20 0.00 -0.61 5.03 -1.99 0.36 117.51 120.51 2qbi h ILE 103 Ca 0.00 -0.02 -0.11 0.00 -0.12 0.00 0.00 64.86 64.61 2qbi h ILE 103 Cb 0.00 0.13 -0.02 0.00 -3.03 0.00 0.00 36.82 33.90 2qbi h ILE 103 CO 0.00 0.01 -0.75 1.56 -0.68 0.00 0.00 178.15 178.29 2qbi h GLN 104 N 0.07 0.00 -6.79 2.37 1.08 -1.97 -3.47 115.11 106.40 2qbi h GLN 104 Ca 0.77 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 57.43 2qbi h GLN 104 Cb 2.75 0.00 0.20 0.00 -0.05 0.00 0.00 27.48 30.38 2qbi h GLN 104 CO -0.17 0.39 -0.43 -0.89 -0.95 0.00 0.00 178.83 176.77 2qbi n ILE 105 N -3.10 0.69 0.00 2.54 2.08 0.13 -4.87 119.36 116.84 2qbi n ILE 105 Ca -0.01 -0.25 0.00 0.00 0.56 0.00 0.00 62.75 63.05 2qbi n ILE 105 Cb 0.74 -0.71 0.00 0.00 -0.75 0.00 0.00 39.64 38.92 2qbi n ILE 105 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2qbi n GLU 106 N -1.59 0.00 -4.60 0.38 1.02 0.65 -5.00 120.64 111.50 2qbi n GLU 106 Ca 0.08 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.91 2qbi n GLU 106 Cb 0.52 -0.30 -0.12 0.00 -0.02 0.00 0.00 31.44 31.52 2qbi n GLU 106 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2qbi s PHE 107 N -1.23 2.61 0.09 -0.32 0.08 -1.11 -5.00 117.98 113.09 2qbi s PHE 107 Ca 0.00 -0.22 -0.26 0.00 0.12 0.00 0.00 56.93 56.57 2qbi s PHE 107 Cb 0.00 -1.48 0.08 0.00 -0.57 0.00 0.00 43.02 41.06 2qbi s PHE 107 CO 0.00 0.28 0.73 0.00 -0.10 0.00 0.00 175.22 176.13 2qbi s ALA 108 N -0.95 -1.70 0.23 5.36 0.00 -1.26 0.42 121.76 123.86 2qbi s ALA 108 Ca 0.15 0.72 0.10 0.00 0.00 0.00 0.00 51.96 52.93 2qbi s ALA 108 Cb -0.11 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 2qbi s ALA 108 CO 0.06 -0.74 -0.11 0.15 0.00 0.00 0.00 175.76 175.12 2qbi s LYS 109 N -3.47 1.96 -0.07 0.00 -0.14 -1.23 -3.37 119.74 113.41 2qbi s LYS 109 Ca 0.03 -1.48 -0.23 0.00 -1.36 0.00 0.00 55.97 52.93 2qbi s LYS 109 Cb -0.01 -2.02 -0.19 0.00 -1.68 0.00 0.00 37.83 33.93 2qbi s LYS 109 CO -0.11 0.38 0.88 0.28 -0.76 0.00 0.00 175.35 176.02 2qbi h VAL 110 N 2.43 1.22 -3.92 3.17 2.07 -1.69 0.20 116.25 119.74 2qbi h VAL 110 Ca -0.44 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 65.57 2qbi h VAL 110 Cb 1.23 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 33.14 2qbi h VAL 110 CO 0.57 0.35 -0.99 -0.38 0.02 0.00 0.00 177.57 177.14 2qbi n ILE 111 N -4.80 -4.08 -3.20 4.57 2.08 -1.26 -3.23 119.36 109.45 2qbi n ILE 111 Ca -0.08 1.95 -0.39 0.00 0.56 0.00 0.00 62.75 64.79 2qbi n ILE 111 Cb 0.31 -2.93 -0.06 0.00 -0.75 0.00 0.00 39.64 36.21 2qbi n ILE 111 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2qbi s LEU 112 N -4.67 4.25 -0.07 1.39 0.20 -1.26 -3.16 118.68 115.36 2qbi s LEU 112 Ca 0.00 0.91 0.02 0.00 0.69 0.00 0.00 54.13 55.74 2qbi s LEU 112 Cb 0.00 -2.84 -0.05 0.00 -0.43 0.00 0.00 46.19 42.87 2qbi s LEU 112 CO 0.00 -0.10 -0.04 0.00 -0.29 0.00 0.00 176.35 175.91 2qbi n ALA 113 N 4.08 1.85 0.00 5.97 0.00 -1.26 -4.74 120.51 126.41 2qbi n ALA 113 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2qbi n ALA 113 Cb 0.51 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.25 2qbi n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbi n GLY 114 N 3.04 0.55 3.12 0.00 0.00 -1.26 -4.89 105.19 105.75 2qbi n GLY 114 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 2qbi n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qbi s GLU 115 N 0.00 0.71 0.00 1.61 8.01 -1.26 -4.95 118.70 122.82 2qbi s GLU 115 Ca 0.00 -1.28 0.00 0.00 0.01 0.00 0.00 54.97 53.70 2qbi s GLU 115 Cb 0.00 0.11 0.00 0.00 -4.31 0.00 0.00 34.13 29.93 2qbi s GLU 115 CO 0.00 -0.11 0.00 1.55 0.01 0.00 0.00 175.26 176.71 2qbi n VAL 116 N 0.04 0.00 0.00 2.63 3.14 -1.26 -4.31 118.33 118.58 2qbi n VAL 116 Ca -0.12 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 2qbi n VAL 116 Cb 0.61 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.39 2qbi n VAL 116 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2qbi n THR 117 N -0.65 0.00 -2.42 1.55 -1.04 -1.26 -4.78 114.28 105.68 2qbi n THR 117 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 2qbi n THR 117 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 2qbi n THR 117 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2qbi s THR 118 N 0.00 4.09 0.13 12.58 -1.32 -1.26 -4.79 115.64 125.08 2qbi s THR 118 Ca 0.00 1.48 -0.31 0.00 -1.21 0.00 0.00 61.69 61.65 2qbi s THR 118 Cb 0.00 -3.95 -0.11 0.00 -1.51 0.00 0.00 72.50 66.94 2qbi s THR 118 CO 0.00 0.06 1.83 -2.84 -2.21 0.00 0.00 174.62 171.47 2qbi s PRO 119 N 1.59 4.13 0.14 7.08 0.02 -1.13 -4.93 135.00 141.90 2qbi s PRO 119 Ca 0.58 2.61 0.05 0.00 0.02 0.00 0.00 61.00 64.26 2qbi s PRO 119 Cb -0.28 -3.55 -0.04 0.00 0.02 0.00 0.00 34.50 30.65 2qbi s PRO 119 CO 0.26 -0.84 -0.11 0.08 -0.33 0.00 0.00 177.00 176.06 2qbi s VAL 120 N 2.62 1.17 -0.52 3.83 1.01 -1.24 -4.97 120.40 122.32 2qbi s VAL 120 Ca 0.81 -1.95 0.04 0.00 0.00 0.00 0.00 61.98 60.87 2qbi s VAL 120 Cb -0.47 -1.73 0.14 0.00 0.00 0.00 0.00 36.38 34.32 2qbi s VAL 120 CO 0.36 -0.67 0.28 0.42 0.00 0.00 0.00 175.10 175.50 2qbi s THR 121 N -3.02 2.25 0.28 3.92 -4.23 -1.26 -1.82 115.64 111.76 2qbi s THR 121 Ca 0.14 -3.21 -0.30 0.00 -1.18 0.00 0.00 61.69 57.14 2qbi s THR 121 Cb 0.01 -2.55 -0.13 0.00 1.34 0.00 0.00 72.50 71.16 2qbi s THR 121 CO 0.01 -0.86 1.35 1.33 -0.54 0.00 0.00 174.62 175.91 2qbi n VAL 122 N 3.09 1.40 -4.96 2.29 0.24 -0.94 -1.85 118.33 117.60 2qbi n VAL 122 Ca 0.08 -0.35 -0.27 0.00 -2.04 0.00 0.00 64.34 61.76 2qbi n VAL 122 Cb 0.33 -1.51 -0.16 0.00 -1.47 0.00 0.00 33.84 31.04 2qbi n VAL 122 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2qbi s ARG 123 N -1.03 1.71 -1.24 7.34 3.00 0.28 -2.10 118.95 126.91 2qbi s ARG 123 Ca 0.63 -0.70 -0.12 0.00 -1.00 0.00 0.00 55.73 54.54 2qbi s ARG 123 Cb -0.61 -1.60 -0.01 0.00 0.00 0.00 0.00 34.95 32.73 2qbi s ARG 123 CO 0.55 0.39 0.67 0.41 0.00 0.00 0.00 175.30 177.31 2qbi n GLY 124 N 2.73 -0.67 1.79 8.12 0.00 -1.26 -0.06 105.19 115.84 2qbi n GLY 124 Ca -0.16 0.32 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 2qbi n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbi n LEU 125 N -4.26 0.00 -4.67 0.99 4.77 -1.26 -3.47 117.00 109.09 2qbi n LEU 125 Ca -0.19 -1.34 -0.30 0.00 -0.03 0.00 0.00 56.01 54.16 2qbi n LEU 125 Cb 0.63 1.65 -0.09 0.00 -2.33 0.00 0.00 43.42 43.28 2qbi n LEU 125 CO 0.70 -0.39 -0.27 -0.13 -1.33 0.00 0.00 177.39 175.97 2qbi s ARG 126 N -2.18 2.05 -0.08 3.23 0.52 -1.22 -4.28 118.95 117.00 2qbi s ARG 126 Ca 0.10 -2.23 -0.30 0.00 -0.52 0.00 0.00 55.73 52.78 2qbi s ARG 126 Cb -0.02 -1.54 0.10 0.00 0.52 0.00 0.00 34.95 34.01 2qbi s ARG 126 CO 0.08 -0.20 0.86 0.54 0.02 0.00 0.00 175.30 176.59 2qbi s VAL 127 N -2.81 0.00 0.80 3.52 0.11 -1.26 -2.23 120.40 118.53 2qbi s VAL 127 Ca 0.22 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.15 2qbi s VAL 127 Cb 0.06 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.98 2qbi s VAL 127 CO 0.11 0.00 1.10 0.42 -3.33 0.00 0.00 175.10 173.40 2qbi s THR 128 N -1.72 3.01 -1.84 5.04 -4.23 -1.26 -4.87 115.64 109.77 2qbi s THR 128 Ca -0.03 0.33 0.31 0.00 -1.18 0.00 0.00 61.69 61.12 2qbi s THR 128 Cb -0.00 -3.09 0.78 0.00 1.34 0.00 0.00 72.50 71.53 2qbi s THR 128 CO 0.01 -0.43 2.14 2.29 -0.54 0.00 0.00 174.62 178.09 2qbi n LYS 129 N -3.43 0.82 -0.09 3.99 2.85 -1.26 -1.08 118.16 119.95 2qbi n LYS 129 Ca 0.07 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.23 2qbi n LYS 129 Cb 0.56 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.31 2qbi n LYS 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2qbi n GLY 130 N 1.03 -0.74 0.02 2.58 0.00 -1.26 -4.19 105.19 102.62 2qbi n GLY 130 Ca 0.21 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.08 2qbi n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbi n ALA 131 N -2.76 3.70 -0.03 4.61 0.00 -1.16 -2.59 120.51 122.28 2qbi n ALA 131 Ca -0.31 -0.39 -0.13 0.00 0.00 0.00 0.00 53.44 52.61 2qbi n ALA 131 Cb 1.04 -1.07 -0.11 0.00 0.00 0.00 0.00 19.45 19.31 2qbi n ALA 131 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qbi h ARG 132 N 0.09 -0.01 0.00 0.00 2.43 -1.29 -1.21 114.38 114.38 2qbi h ARG 132 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2qbi h ARG 132 Cb 0.50 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2qbi h ARG 132 CO 0.00 0.65 -0.08 0.00 -1.51 0.00 0.00 179.97 179.03 2qbi h ALA 133 N 0.27 0.96 0.11 2.80 0.00 -1.73 -2.02 119.26 119.65 2qbi h ALA 133 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2qbi h ALA 133 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2qbi h ALA 133 CO 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 179.25 179.30 2qbi h ALA 134 N 1.92 -0.15 -0.20 0.00 0.00 -1.46 0.35 119.26 119.72 2qbi h ALA 134 Ca -0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2qbi h ALA 134 Cb 0.94 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2qbi h ALA 134 CO 0.01 -0.41 -0.08 0.97 0.00 0.00 0.00 179.25 179.74 2qbi h ILE 135 N -0.49 1.30 -0.52 0.00 2.10 -1.22 -2.68 117.51 116.00 2qbi h ILE 135 Ca -0.02 -1.11 0.04 0.00 1.08 0.00 0.00 64.86 64.86 2qbi h ILE 135 Cb 0.40 1.60 -0.03 0.00 -1.09 0.00 0.00 36.82 37.70 2qbi h ILE 135 CO 0.02 0.34 0.35 -0.33 -1.08 0.00 0.00 178.15 177.45 2qbi h GLU 136 N 0.12 0.53 -1.01 2.19 5.08 -1.37 0.93 114.58 121.04 2qbi h GLU 136 Ca 0.05 -0.03 0.23 0.00 -1.00 0.00 0.00 59.36 58.61 2qbi h GLU 136 Cb 0.55 -0.12 -0.11 0.00 0.50 0.00 0.00 28.75 29.57 2qbi h GLU 136 CO 0.03 0.35 0.61 0.00 -1.00 0.00 0.00 179.01 179.00 2qbi h ALA 137 N 1.71 1.84 -1.85 3.43 0.00 0.07 -1.13 119.26 123.32 2qbi h ALA 137 Ca 0.22 0.10 -0.70 0.00 0.00 0.00 0.00 54.91 54.53 2qbi h ALA 137 Cb 0.18 -0.01 -0.35 0.00 0.00 0.00 0.00 17.79 17.62 2qbi h ALA 137 CO -0.06 -0.28 0.17 0.00 0.00 0.00 0.00 179.25 179.09 2qbi n ALA 138 N -2.35 5.17 -3.87 0.00 0.00 -0.02 -4.86 120.51 114.59 2qbi n ALA 138 Ca 0.26 -4.70 -0.30 0.00 0.00 0.00 0.00 53.44 48.70 2qbi n ALA 138 Cb 0.72 -1.51 0.01 0.00 0.00 0.00 0.00 19.45 18.67 2qbi n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbi n GLY 139 N 0.20 -0.58 3.91 0.00 0.00 -0.44 -2.84 105.19 105.44 2qbi n GLY 139 Ca 0.36 0.29 -0.28 0.00 0.00 0.00 0.00 46.02 46.38 2qbi n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qbi s GLY 140 N -3.94 1.82 -0.02 -0.02 0.00 0.11 -3.59 107.32 101.68 2qbi s GLY 140 Ca 0.23 -0.61 0.02 0.00 0.00 0.00 0.00 44.72 44.36 2qbi s GLY 140 CO 0.89 -0.51 -0.05 1.25 0.00 0.00 0.00 173.10 174.67 2qbi s LYS 141 N -3.58 0.58 -0.17 2.90 2.36 -0.76 -4.44 119.74 116.64 2qbi s LYS 141 Ca 0.43 -0.17 -0.05 0.00 -2.55 0.00 0.00 55.97 53.63 2qbi s LYS 141 Cb -0.11 -0.58 -0.03 0.00 -1.05 0.00 0.00 37.83 36.06 2qbi s LYS 141 CO 0.30 0.06 0.00 0.42 1.55 0.00 0.00 175.35 177.68 2qbi s ILE 142 N 0.23 4.22 0.00 5.43 1.09 -1.26 -2.21 121.20 128.70 2qbi s ILE 142 Ca -0.03 -0.24 0.00 0.00 -1.10 0.00 0.00 60.65 59.29 2qbi s ILE 142 Cb -0.07 -2.88 0.00 0.00 -1.06 0.00 0.00 42.46 38.46 2qbi s ILE 142 CO -0.00 0.47 0.16 -1.84 -0.10 0.00 0.00 174.94 173.63 2qbi n GLU 143 N 3.63 0.00 -0.73 2.79 0.00 -0.89 -5.00 120.64 120.44 2qbi n GLU 143 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.99 2qbi n GLU 143 Cb 0.52 -0.60 0.00 0.00 0.00 0.00 0.00 31.44 31.36 2qbi n GLU 143 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22