#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qba n LEU 3 N 0.00 0.00 0.00 6.15 4.77 -1.26 -4.04 117.00 122.62 2qba n LEU 3 Ca 0.00 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2qba n LEU 3 Cb 0.00 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2qba n LEU 3 CO 0.00 -1.51 0.00 0.59 -1.33 0.00 0.00 177.39 175.14 2qba n ASN 4 N -3.39 0.00 -0.18 -1.43 5.03 -1.26 -4.22 115.26 109.82 2qba n ASN 4 Ca 0.02 0.00 0.13 0.00 0.87 0.00 0.00 54.58 55.60 2qba n ASN 4 Cb 0.09 0.00 0.25 0.00 -1.02 0.00 0.00 39.78 39.10 2qba n ASN 4 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2qba n THR 5 N 0.00 -0.22 -2.59 3.41 -2.24 -1.26 -4.26 114.28 107.12 2qba n THR 5 Ca 0.00 1.11 -0.42 0.00 -2.27 0.00 0.00 64.05 62.47 2qba n THR 5 Cb 0.00 -1.73 -0.03 0.00 -2.10 0.00 0.00 70.33 66.48 2qba n THR 5 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2qba s LEU 6 N -8.76 4.26 0.31 3.22 2.34 -1.26 -5.04 118.68 113.75 2qba s LEU 6 Ca -0.06 1.65 0.10 0.00 0.06 0.00 0.00 54.13 55.89 2qba s LEU 6 Cb 0.17 -3.56 -0.06 0.00 -0.56 0.00 0.00 46.19 42.18 2qba s LEU 6 CO 0.41 -0.51 -0.13 -0.44 -1.06 0.00 0.00 176.35 174.63 2qba s SER 7 N 1.26 3.56 1.04 1.48 0.01 -1.26 -5.09 113.70 114.70 2qba s SER 7 Ca 0.51 -1.13 -0.12 0.00 1.31 0.00 0.00 55.95 56.52 2qba s SER 7 Cb -0.21 -0.31 0.22 0.00 0.21 0.00 0.00 66.02 65.93 2qba s SER 7 CO 0.20 -0.13 1.08 -2.84 0.41 0.00 0.00 173.24 171.95 2qba s PRO 8 N -3.59 0.04 0.77 12.44 0.02 -1.26 -5.00 135.00 138.43 2qba s PRO 8 Ca 0.31 1.10 -0.13 0.00 0.02 0.00 0.00 61.00 62.30 2qba s PRO 8 Cb -0.00 -1.65 0.20 0.00 0.02 0.00 0.00 34.50 33.07 2qba s PRO 8 CO 0.15 -3.15 0.49 0.00 -0.33 0.00 0.00 177.00 174.16 2qba n ALA 9 N -4.55 -2.68 -3.20 -1.55 0.00 -1.26 -4.88 120.51 102.38 2qba n ALA 9 Ca 0.07 -0.84 -0.46 0.00 0.00 0.00 0.00 53.44 52.21 2qba n ALA 9 Cb 0.54 -0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.89 2qba n ALA 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2qba s GLU 10 N -4.16 3.54 0.00 0.00 2.56 -1.26 -3.94 118.70 115.44 2qba s GLU 10 Ca 0.36 -2.17 0.00 0.00 0.00 0.00 0.00 54.97 53.17 2qba s GLU 10 Cb -0.06 -4.55 0.00 0.00 2.00 0.00 0.00 34.13 31.52 2qba s GLU 10 CO 0.30 -1.44 0.00 0.41 -0.56 0.00 0.00 175.26 173.97 2qba n GLY 11 N 4.52 1.62 0.48 -1.50 0.00 -1.26 -4.99 105.19 104.05 2qba n GLY 11 Ca 0.14 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.46 2qba n GLY 11 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2qba h SER 12 N 0.00 0.18 -3.83 1.61 0.02 -1.93 -3.33 113.55 106.28 2qba h SER 12 Ca 0.00 0.04 -0.68 0.00 -0.84 0.00 0.00 61.79 60.31 2qba h SER 12 Cb 0.00 0.01 -0.35 0.00 0.14 0.00 0.00 62.40 62.19 2qba h SER 12 CO 0.00 0.03 -0.76 -0.54 -1.14 0.00 0.00 176.83 174.42 2qba s LYS 13 N -5.17 2.30 -0.98 3.45 -0.14 -1.26 -5.02 119.74 112.92 2qba s LYS 13 Ca -0.07 -1.33 -0.02 0.00 -1.36 0.00 0.00 55.97 53.20 2qba s LYS 13 Cb 0.24 -3.01 0.31 0.00 -1.68 0.00 0.00 37.83 33.69 2qba s LYS 13 CO 0.80 -0.60 1.94 1.63 -0.76 0.00 0.00 175.35 178.36 2qba n LYS 14 N 4.50 4.57 0.00 1.68 4.76 -1.25 -5.01 118.16 127.41 2qba n LYS 14 Ca -0.13 -4.22 0.00 0.00 -2.87 0.00 0.00 58.31 51.08 2qba n LYS 14 Cb 0.43 -2.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.20 2qba n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qba n ALA 15 N -0.08 0.00 0.00 7.82 0.00 -1.26 -4.82 120.51 122.16 2qba n ALA 15 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2qba n ALA 15 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 2qba n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qba n GLY 16 N 0.00 4.09 3.25 0.00 0.00 -1.26 -5.15 105.19 106.12 2qba n GLY 16 Ca 0.00 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 2qba n GLY 16 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qba n LYS 17 N -1.44 -4.08 0.18 1.61 2.85 -1.26 -5.00 118.16 111.02 2qba n LYS 17 Ca 0.00 -1.20 0.00 0.00 -1.05 0.00 0.00 58.31 56.06 2qba n LYS 17 Cb 0.00 -1.92 0.00 0.00 -0.65 0.00 0.00 35.03 32.46 2qba n LYS 17 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qba n ARG 18 N -5.15 0.00 -1.31 -1.58 1.74 -1.26 -5.17 116.66 103.92 2qba n ARG 18 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2qba n ARG 18 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 2qba n ARG 18 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qba n LEU 19 N -3.41 -1.60 -3.81 0.55 4.32 -1.26 -4.83 117.00 106.96 2qba n LEU 19 Ca 0.00 2.43 -0.23 0.00 -0.02 0.00 0.00 56.01 58.19 2qba n LEU 19 Cb 0.00 -2.41 0.01 0.00 -1.62 0.00 0.00 43.42 39.41 2qba n LEU 19 CO 0.00 -0.33 -0.12 0.61 -1.22 0.00 0.00 177.39 176.33 2qba n GLY 20 N -1.92 -0.27 0.27 -0.72 0.00 0.93 -4.89 105.19 98.60 2qba n GLY 20 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.17 2qba n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qba n ARG 21 N -4.33 0.47 0.00 1.61 5.12 -1.26 -4.99 116.66 113.27 2qba n ARG 21 Ca -0.29 -1.22 0.00 0.00 -1.93 0.00 0.00 57.85 54.41 2qba n ARG 21 Cb 0.67 -0.72 0.00 0.00 -1.16 0.00 0.00 32.46 31.25 2qba n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qba n GLY 22 N -0.31 3.27 0.36 -0.13 0.00 -1.26 -4.72 105.19 102.40 2qba n GLY 22 Ca 0.03 -1.87 0.04 0.00 0.00 0.00 0.00 46.02 44.22 2qba n GLY 22 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qba h ILE 23 N 0.00 1.09 -0.46 -0.61 2.04 -1.95 -2.84 117.51 114.78 2qba h ILE 23 Ca 0.00 -0.32 0.06 0.00 1.00 0.00 0.00 64.86 65.60 2qba h ILE 23 Cb 0.00 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.11 2qba h ILE 23 CO 0.00 0.17 0.16 1.23 0.00 0.00 0.00 178.15 179.71 2qba h GLY 24 N 0.93 0.61 1.52 5.37 0.00 -1.99 -1.20 103.07 108.31 2qba h GLY 24 Ca 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2qba h GLY 24 CO -0.10 0.01 0.09 -1.14 0.00 0.00 0.00 176.54 175.40 2qba n SER 25 N -5.01 0.00 0.00 0.19 3.41 -1.07 -4.73 113.62 106.41 2qba n SER 25 Ca 0.04 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 2qba n SER 25 Cb 0.18 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 2qba n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qba n GLY 26 N -1.35 0.46 2.49 5.00 0.00 -0.45 -4.83 105.19 106.51 2qba n GLY 26 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2qba n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qba n LEU 27 N 0.00 1.44 0.00 0.99 4.77 -1.26 -4.87 117.00 118.07 2qba n LEU 27 Ca 0.00 -4.29 0.00 0.00 -0.03 0.00 0.00 56.01 51.69 2qba n LEU 27 Cb 0.10 0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2qba n LEU 27 CO 0.00 1.87 0.00 0.61 -1.33 0.00 0.00 177.39 178.54 2qba n GLY 28 N 0.04 -2.25 3.23 -0.72 0.00 -1.21 -0.05 105.19 104.23 2qba n GLY 28 Ca 0.17 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 2qba n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qba n LYS 29 N 0.00 -1.34 0.00 1.61 2.85 -1.26 -2.38 118.16 117.64 2qba n LYS 29 Ca 0.00 -0.38 0.00 0.00 -1.05 0.00 0.00 58.31 56.88 2qba n LYS 29 Cb 0.00 -1.57 0.00 0.00 -0.65 0.00 0.00 35.03 32.81 2qba n LYS 29 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2qba n THR 30 N -4.28 0.00 -1.33 0.58 -2.24 -1.26 -4.28 114.28 101.48 2qba n THR 30 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2qba n THR 30 Cb 0.65 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 2qba n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qba n GLY 31 N 0.00 0.77 4.16 3.38 0.00 -1.00 -4.30 105.19 108.20 2qba n GLY 31 Ca 0.00 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 2qba n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qba n GLY 32 N -1.08 -0.35 0.17 -0.02 0.00 -1.26 -4.83 105.19 97.81 2qba n GLY 32 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.17 2qba n GLY 32 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qba n ARG 33 N -4.40 0.46 -0.29 1.61 1.85 -1.26 -5.15 116.66 109.47 2qba n ARG 33 Ca -0.07 -0.94 0.04 0.00 -1.00 0.00 0.00 57.85 55.88 2qba n ARG 33 Cb 0.56 -0.64 -0.01 0.00 -1.05 0.00 0.00 32.46 31.33 2qba n ARG 33 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2qba n GLY 34 N -0.17 -2.17 3.57 2.89 0.00 -1.26 -4.61 105.19 103.43 2qba n GLY 34 Ca 0.01 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.21 2qba n GLY 34 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qba s HIS 35 N -1.18 3.20 0.19 1.61 3.76 -1.26 -4.91 115.29 116.71 2qba s HIS 35 Ca 0.00 0.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.92 2qba s HIS 35 Cb 0.00 -2.33 0.00 0.00 1.11 0.00 0.00 32.58 31.36 2qba s HIS 35 CO 0.00 -0.18 0.00 1.63 -0.85 0.00 0.00 174.74 175.34 2qba n LYS 36 N 4.93 -1.69 0.00 1.40 5.02 -1.26 -5.05 118.16 121.50 2qba n LYS 36 Ca -0.15 1.11 0.00 0.00 -2.02 0.00 0.00 58.31 57.26 2qba n LYS 36 Cb 0.52 -2.06 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 2qba n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qba n GLY 37 N -2.58 2.31 0.27 0.72 0.00 -1.26 -4.53 105.19 100.12 2qba n GLY 37 Ca 0.01 -1.84 0.01 0.00 0.00 0.00 0.00 46.02 44.20 2qba n GLY 37 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2qba h GLN 38 N 0.00 0.50 -0.50 1.61 4.15 -1.98 -2.26 115.11 116.62 2qba h GLN 38 Ca 0.00 -0.09 0.15 0.00 0.77 0.00 0.00 58.65 59.47 2qba h GLN 38 Cb 0.00 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 2qba h GLN 38 CO 0.00 0.50 0.42 0.87 -1.93 0.00 0.00 178.83 178.69 2qba h LYS 39 N 0.48 0.00 0.00 1.69 1.79 -1.92 -2.25 116.57 116.36 2qba h LYS 39 Ca 0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2qba h LYS 39 Cb 0.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 2qba h LYS 39 CO 0.00 0.00 0.00 -1.13 -1.08 0.00 0.00 179.45 177.24 2qba n SER 40 N -4.08 0.00 -1.17 0.86 3.41 -0.85 -4.08 113.62 107.71 2qba n SER 40 Ca 0.09 -0.83 0.00 0.00 -0.26 0.00 0.00 58.87 57.87 2qba n SER 40 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 2qba n SER 40 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2qba n ARG 41 N -0.83 -3.32 -1.52 4.33 1.74 -1.26 -3.95 116.66 111.84 2qba n ARG 41 Ca 0.00 2.43 -0.40 0.00 -0.77 0.00 0.00 57.85 59.11 2qba n ARG 41 Cb 0.00 -2.71 0.02 0.00 -1.02 0.00 0.00 32.46 28.75 2qba n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2qba n SER 42 N -0.38 -0.12 0.00 0.55 3.41 -1.26 0.19 113.62 116.01 2qba n SER 42 Ca 0.00 0.89 0.00 0.00 -0.26 0.00 0.00 58.87 59.50 2qba n SER 42 Cb 0.00 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 62.72 2qba n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qba n GLY 43 N 1.55 0.41 2.53 5.00 0.00 -1.26 -4.97 105.19 108.46 2qba n GLY 43 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 2qba n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qba n GLY 44 N -1.68 -3.85 0.00 -0.02 0.00 0.13 -4.95 105.19 94.82 2qba n GLY 44 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2qba n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qba n GLY 45 N -4.52 -0.29 3.95 -0.02 0.00 -0.84 -4.96 105.19 98.50 2qba n GLY 45 Ca 0.11 -1.49 -0.23 0.00 0.00 0.00 0.00 46.02 44.41 2qba n GLY 45 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qba s VAL 46 N -2.66 2.84 1.17 1.61 -7.23 -1.26 -4.95 120.40 109.91 2qba s VAL 46 Ca 0.00 -0.48 -0.20 0.00 -1.81 0.00 0.00 61.98 59.50 2qba s VAL 46 Cb 0.00 -3.11 0.30 0.00 0.56 0.00 0.00 36.38 34.13 2qba s VAL 46 CO 0.00 -0.09 0.81 -2.11 -0.31 0.00 0.00 175.10 173.41 2qba n ARG 47 N -2.48 -3.83 -2.88 4.82 1.85 -1.26 -4.97 116.66 107.91 2qba n ARG 47 Ca 0.07 -1.34 -0.40 0.00 -1.00 0.00 0.00 57.85 55.18 2qba n ARG 47 Cb 0.59 -1.53 -0.05 0.00 -1.05 0.00 0.00 32.46 30.42 2qba n ARG 47 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2qba s ARG 48 N -4.91 4.62 -1.48 2.89 3.52 -1.26 -3.81 118.95 118.52 2qba s ARG 48 Ca 0.58 1.26 -0.03 0.00 -0.13 0.00 0.00 55.73 57.41 2qba s ARG 48 Cb -0.08 -3.33 0.01 0.00 -1.56 0.00 0.00 34.95 29.99 2qba s ARG 48 CO 0.47 0.36 0.32 0.41 -0.81 0.00 0.00 175.30 176.05 2qba n GLY 49 N 2.05 -0.51 3.35 8.12 0.00 -1.26 -4.89 105.19 112.06 2qba n GLY 49 Ca -0.02 0.07 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 2qba n GLY 49 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qba n PHE 50 N -4.08 4.60 -1.55 1.61 -0.00 -1.25 -4.79 117.46 112.01 2qba n PHE 50 Ca -0.14 -3.27 -0.23 0.00 -0.00 0.00 0.00 57.45 53.81 2qba n PHE 50 Cb 0.62 -2.13 -0.08 0.00 -0.00 0.00 0.00 39.48 37.90 2qba n PHE 50 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 2qba n GLU 51 N 5.21 0.61 0.00 -4.13 2.13 -1.26 -4.66 120.64 118.55 2qba n GLU 51 Ca 0.37 -0.44 0.00 0.00 0.66 0.00 0.00 57.16 57.75 2qba n GLU 51 Cb 0.41 -3.18 0.00 0.00 0.27 0.00 0.00 31.44 28.94 2qba n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qba n GLY 52 N 6.40 1.12 0.00 8.31 0.00 -1.26 -2.51 105.19 117.25 2qba n GLY 52 Ca 0.47 0.66 0.00 0.00 0.00 0.00 0.00 46.02 47.16 2qba n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qba n GLY 53 N 0.00 0.00 0.00 -0.02 0.00 -1.26 -5.10 105.19 98.81 2qba n GLY 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qba n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qba n GLN 54 N -0.37 -0.34 -2.66 1.61 10.64 -1.04 -4.92 117.38 120.29 2qba n GLN 54 Ca 0.00 0.00 -0.43 0.00 -1.83 0.00 0.00 57.00 54.74 2qba n GLN 54 Cb 0.01 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.37 2qba n GLN 54 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.06 176.64 2qba s MET 55 N -1.55 4.24 0.79 2.61 -2.45 -1.26 -4.79 119.30 116.89 2qba s MET 55 Ca 0.00 1.34 -0.15 0.00 -1.25 0.00 0.00 55.69 55.63 2qba s MET 55 Cb 0.00 -3.65 0.02 0.00 1.25 0.00 0.00 34.83 32.45 2qba s MET 55 CO 0.00 -0.65 0.76 -2.30 1.05 0.00 0.00 175.02 173.87 2qba n PRO 56 N 6.36 0.18 -0.21 4.11 -0.02 -1.26 -4.68 135.00 139.49 2qba n PRO 56 Ca 0.12 0.12 -0.03 0.00 -2.02 0.00 0.00 63.50 61.69 2qba n PRO 56 Cb 0.46 -2.06 0.17 0.00 -0.02 0.00 0.00 33.50 32.05 2qba n PRO 56 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2qba h LEU 57 N -0.75 0.90 -1.58 2.45 5.85 -1.95 -0.82 115.31 119.42 2qba h LEU 57 Ca -0.46 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.15 2qba h LEU 57 Cb 1.32 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.12 2qba h LEU 57 CO 0.42 0.79 0.00 0.00 -0.34 0.00 0.00 178.44 179.31 2qba n TYR 58 N -4.32 0.00 0.03 1.25 0.18 -1.26 -3.36 117.16 109.69 2qba n TYR 58 Ca 0.06 -0.26 0.00 0.00 1.88 0.00 0.00 57.90 59.58 2qba n TYR 58 Cb 0.15 -0.18 0.00 0.00 -0.38 0.00 0.00 39.34 38.94 2qba n TYR 58 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 2qba n ARG 59 N 0.33 0.00 0.00 -3.48 5.12 -0.39 -4.78 116.66 113.47 2qba n ARG 59 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2qba n ARG 59 Cb 0.36 -0.21 0.00 0.00 -1.16 0.00 0.00 32.46 31.45 2qba n ARG 59 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2qba n ARG 60 N -2.96 0.62 -4.14 5.56 1.85 -0.76 -4.60 116.66 112.23 2qba n ARG 60 Ca 0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.54 2qba n ARG 60 Cb 0.14 -1.06 -0.16 0.00 -1.05 0.00 0.00 32.46 30.33 2qba n ARG 60 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2qba s LEU 61 N -0.80 1.87 0.86 2.89 1.02 -1.22 -5.08 118.68 118.23 2qba s LEU 61 Ca 0.00 -0.55 -0.14 0.00 0.02 0.00 0.00 54.13 53.47 2qba s LEU 61 Cb 0.00 -1.30 0.03 0.00 0.02 0.00 0.00 46.19 44.94 2qba s LEU 61 CO 0.00 -0.02 0.62 -2.65 0.02 0.00 0.00 176.35 174.32 2qba n PRO 62 N 4.62 -0.06 -4.15 1.29 -0.02 -1.26 -4.96 135.00 130.46 2qba n PRO 62 Ca -0.19 0.04 -0.34 0.00 -2.02 0.00 0.00 63.50 60.99 2qba n PRO 62 Cb 0.50 -1.98 -0.14 0.00 -0.02 0.00 0.00 33.50 31.87 2qba n PRO 62 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2qba s LYS 63 N -3.53 3.43 -0.79 -0.52 -2.85 -1.26 -5.01 119.74 109.22 2qba s LYS 63 Ca 0.63 -0.62 -0.02 0.00 -1.00 0.00 0.00 55.97 54.96 2qba s LYS 63 Cb -0.26 -2.92 0.38 0.00 -2.06 0.00 0.00 37.83 32.96 2qba s LYS 63 CO 0.61 -0.05 1.98 1.97 0.10 0.00 0.00 175.35 179.96 2qba n PHE 64 N 4.35 3.05 -1.20 1.78 1.16 -1.26 -5.03 117.46 120.31 2qba n PHE 64 Ca -0.18 -2.50 -0.35 0.00 -1.87 0.00 0.00 57.45 52.54 2qba n PHE 64 Cb 0.51 -1.18 0.08 0.00 -1.61 0.00 0.00 39.48 37.29 2qba n PHE 64 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2qba n GLY 65 N -0.62 -1.34 0.00 4.97 0.00 -1.26 -5.01 105.19 101.94 2qba n GLY 65 Ca 0.55 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2qba n GLY 65 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qba n PHE 66 N -2.64 0.00 -5.22 1.61 7.35 -1.26 -5.16 117.46 112.13 2qba n PHE 66 Ca 0.10 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.47 2qba n PHE 66 Cb 0.50 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 40.16 2qba n PHE 66 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2qba s THR 67 N 0.00 2.05 0.21 -2.13 -4.23 -1.26 -5.05 115.64 105.24 2qba s THR 67 Ca 0.00 -1.02 -0.21 0.00 -1.18 0.00 0.00 61.69 59.29 2qba s THR 67 Cb 0.00 -1.77 0.16 0.00 1.34 0.00 0.00 72.50 72.23 2qba s THR 67 CO 0.00 0.56 1.55 0.77 -0.54 0.00 0.00 174.62 176.96 2qba h SER 68 N 6.68 -1.53 -0.21 3.99 4.64 -2.02 -3.44 113.55 121.66 2qba h SER 68 Ca -0.20 0.30 -0.09 0.00 -0.47 0.00 0.00 61.79 61.33 2qba h SER 68 Cb 1.24 0.77 -0.04 0.00 -0.31 0.00 0.00 62.40 64.06 2qba h SER 68 CO 0.47 -0.29 -0.08 -1.14 -0.87 0.00 0.00 176.83 174.92 2qba n ARG 69 N -5.43 -1.46 0.00 4.77 0.00 -1.26 -4.52 116.66 108.76 2qba n ARG 69 Ca 0.08 0.58 0.00 0.00 -0.00 0.00 0.00 57.85 58.51 2qba n ARG 69 Cb 0.37 -4.77 0.00 0.00 0.00 0.00 0.00 32.46 28.06 2qba n ARG 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2qba n LYS 70 N -0.57 0.00 0.30 -0.14 4.81 -1.26 -4.80 118.16 116.49 2qba n LYS 70 Ca -0.05 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 57.58 2qba n LYS 70 Cb 0.44 0.00 1.00 0.00 0.02 0.00 0.00 35.03 36.48 2qba n LYS 70 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qba h ALA 71 N 0.00 1.07 0.00 3.14 0.00 -1.93 0.24 119.26 121.78 2qba h ALA 71 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2qba h ALA 71 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qba h ALA 71 CO 0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 179.25 179.07 2qba h ALA 72 N 1.85 1.33 -0.38 0.00 0.00 -1.92 -0.74 119.26 119.39 2qba h ALA 72 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2qba h ALA 72 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2qba h ALA 72 CO 0.00 0.15 0.00 0.44 0.00 0.00 0.00 179.25 179.84 2qba n ILE 73 N -3.71 0.68 -3.62 0.00 -5.35 0.83 -4.86 119.36 103.33 2qba n ILE 73 Ca -0.02 -0.84 -0.36 0.00 -0.27 0.00 0.00 62.75 61.26 2qba n ILE 73 Cb 0.23 0.78 -0.07 0.00 -1.74 0.00 0.00 39.64 38.84 2qba n ILE 73 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2qba s THR 74 N -1.15 5.33 0.44 7.28 2.01 -0.29 -0.26 115.64 129.01 2qba s THR 74 Ca 0.31 0.44 0.07 0.00 0.31 0.00 0.00 61.69 62.82 2qba s THR 74 Cb 0.18 -3.57 0.07 0.00 0.01 0.00 0.00 72.50 69.18 2qba s THR 74 CO 0.24 0.45 0.57 0.00 -0.69 0.00 0.00 174.62 175.19 2qba n ALA 75 N 3.21 0.91 -3.18 7.40 0.00 0.33 -4.95 120.51 124.23 2qba n ALA 75 Ca -0.14 -1.63 -0.19 0.00 0.00 0.00 0.00 53.44 51.48 2qba n ALA 75 Cb 0.52 0.48 -0.06 0.00 0.00 0.00 0.00 19.45 20.39 2qba n ALA 75 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2qba s GLU 76 N -3.98 0.94 0.69 0.00 2.12 -1.26 -3.65 118.70 113.55 2qba s GLU 76 Ca 0.43 -1.68 -0.16 0.00 0.36 0.00 0.00 54.97 53.92 2qba s GLU 76 Cb -0.03 -0.92 0.02 0.00 0.26 0.00 0.00 34.13 33.45 2qba s GLU 76 CO 0.28 -1.36 1.19 0.42 -0.54 0.00 0.00 175.26 175.25 2qba s ILE 77 N 0.42 2.52 0.23 -3.70 1.09 0.23 -4.95 121.20 117.05 2qba s ILE 77 Ca 0.31 0.27 0.11 0.00 -1.10 0.00 0.00 60.65 60.24 2qba s ILE 77 Cb 0.01 -2.88 -0.05 0.00 -1.06 0.00 0.00 42.46 38.48 2qba s ILE 77 CO -0.14 -0.12 -0.22 -0.13 -0.10 0.00 0.00 174.94 174.23 2qba s ARG 78 N -3.80 1.58 0.19 2.79 0.52 -1.21 -4.04 118.95 114.97 2qba s ARG 78 Ca 0.74 -1.63 -0.12 0.00 -0.52 0.00 0.00 55.73 54.20 2qba s ARG 78 Cb -0.28 -1.78 0.11 0.00 0.52 0.00 0.00 34.95 33.52 2qba s ARG 78 CO 0.42 0.36 1.85 -0.07 0.02 0.00 0.00 175.30 177.88 2qba h LEU 79 N 2.78 0.76 -1.99 2.53 3.38 -1.70 -1.37 115.31 119.71 2qba h LEU 79 Ca -0.43 -0.04 0.31 0.00 0.09 0.00 0.00 57.88 57.82 2qba h LEU 79 Cb 1.23 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 2qba h LEU 79 CO 0.54 0.57 0.79 0.77 0.09 0.00 0.00 178.44 181.20 2qba h SER 80 N 0.89 0.00 0.00 -0.43 4.64 -1.88 -3.38 113.55 113.39 2qba h SER 80 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2qba h SER 80 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2qba h SER 80 CO -0.05 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.38 2qba n ASP 81 N -4.18 0.00 0.00 4.97 8.00 -0.51 -4.27 116.55 120.56 2qba n ASP 81 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.73 2qba n ASP 81 Cb 1.16 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.26 2qba n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2qba n LEU 82 N 0.00 0.00 0.00 0.64 4.77 -1.26 -4.41 117.00 116.74 2qba n LEU 82 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 2qba n LEU 82 Cb 0.00 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.36 2qba n LEU 82 CO 0.00 0.00 0.48 0.00 -1.33 0.00 0.00 177.39 176.54 2qba n ALA 83 N 0.00 1.98 -0.98 -1.18 0.00 -1.26 -1.22 120.51 117.85 2qba n ALA 83 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.39 2qba n ALA 83 Cb 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 19.45 18.31 2qba n ALA 83 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2qba n LYS 84 N -0.84 0.67 0.00 0.00 2.85 -1.26 -4.76 118.16 114.82 2qba n LYS 84 Ca 0.07 -0.91 0.00 0.00 -1.05 0.00 0.00 58.31 56.42 2qba n LYS 84 Cb 0.03 -0.66 0.00 0.00 -0.65 0.00 0.00 35.03 33.75 2qba n LYS 84 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 2qba n VAL 85 N -0.19 0.00 -2.51 0.58 3.14 -0.36 -4.90 118.33 114.10 2qba n VAL 85 Ca 0.01 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.34 2qba n VAL 85 Cb 0.49 -0.29 -0.04 0.00 -1.06 0.00 0.00 33.84 32.94 2qba n VAL 85 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2qba n GLU 86 N -0.17 -4.14 0.00 1.45 4.07 -1.26 -4.74 120.64 115.84 2qba n GLU 86 Ca 0.00 3.17 0.00 0.00 -0.06 0.00 0.00 57.16 60.27 2qba n GLU 86 Cb 0.14 -4.78 0.00 0.00 -0.06 0.00 0.00 31.44 26.74 2qba n GLU 86 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2qba n GLY 87 N 1.47 1.54 0.00 8.31 0.00 -1.26 -4.86 105.19 110.39 2qba n GLY 87 Ca -0.36 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2qba n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qba n GLY 88 N 0.00 4.82 2.74 -0.02 0.00 -1.26 -4.91 105.19 106.56 2qba n GLY 88 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 2qba n GLY 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2qba n VAL 89 N 0.00 -0.84 -2.36 1.61 3.14 -1.25 -4.76 118.33 113.86 2qba n VAL 89 Ca 0.00 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 2qba n VAL 89 Cb 0.00 -2.22 0.00 0.00 -1.06 0.00 0.00 33.84 30.56 2qba n VAL 89 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2qba n VAL 90 N 2.37 3.98 -0.63 1.55 0.31 -0.92 -4.76 118.33 120.24 2qba n VAL 90 Ca 0.00 -4.02 -0.30 0.00 -0.01 0.00 0.00 64.34 60.01 2qba n VAL 90 Cb 0.00 -2.45 0.19 0.00 -0.91 0.00 0.00 33.84 30.68 2qba n VAL 90 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qba s ASP 91 N 2.77 2.28 0.20 4.52 -1.08 -1.25 -0.34 116.67 123.76 2qba s ASP 91 Ca 0.46 2.02 -0.16 0.00 -0.52 0.00 0.00 52.55 54.34 2qba s ASP 91 Cb 0.07 -2.51 0.19 0.00 -1.46 0.00 0.00 42.92 39.21 2qba s ASP 91 CO -0.00 -3.48 1.61 0.17 0.52 0.00 0.00 175.17 173.99 2qba h LEU 92 N -2.13 -0.77 0.00 -1.34 -0.00 -1.42 -3.39 115.31 106.26 2qba h LEU 92 Ca -0.49 0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2qba h LEU 92 Cb 1.29 0.44 0.00 0.00 -0.00 0.00 0.00 40.66 42.39 2qba h LEU 92 CO 0.44 -0.25 0.00 -0.46 -0.00 0.00 0.00 178.44 178.17 2qba n ASN 93 N -5.43 0.00 0.00 0.17 6.94 -1.26 -4.65 115.26 111.03 2qba n ASN 93 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.62 2qba n ASN 93 Cb 0.34 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.76 2qba n ASN 93 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2qba n THR 94 N 0.00 0.00 -0.35 5.53 -1.04 -1.26 -3.46 114.28 113.69 2qba n THR 94 Ca 0.00 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.15 2qba n THR 94 Cb 0.00 0.00 0.33 0.00 -1.82 0.00 0.00 70.33 68.84 2qba n THR 94 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2qba h LEU 95 N 0.00 0.77 -0.58 -4.42 3.38 -1.82 0.80 115.31 113.43 2qba h LEU 95 Ca 0.00 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2qba h LEU 95 Cb 0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2qba h LEU 95 CO 0.00 0.26 0.29 0.11 0.09 0.00 0.00 178.44 179.18 2qba h LYS 96 N 0.74 0.83 -0.46 1.13 1.57 -1.84 0.10 116.57 118.64 2qba h LYS 96 Ca 0.58 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2qba h LYS 96 Cb 0.95 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2qba h LYS 96 CO -0.39 0.66 0.00 0.00 -0.57 0.00 0.00 179.45 179.16 2qba n ALA 97 N -2.33 2.61 -0.65 3.86 0.00 0.22 -2.81 120.51 121.41 2qba n ALA 97 Ca 0.03 -0.37 0.03 0.00 0.00 0.00 0.00 53.44 53.13 2qba n ALA 97 Cb 0.11 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.60 2qba n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qba n ALA 98 N 0.07 1.91 -3.31 0.00 0.00 0.20 -4.97 120.51 114.40 2qba n ALA 98 Ca 0.06 -1.36 -0.09 0.00 0.00 0.00 0.00 53.44 52.05 2qba n ALA 98 Cb 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.57 2qba n ALA 98 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qba n ASN 99 N -0.63 -6.78 -0.11 0.00 4.13 -0.72 -4.93 115.26 106.23 2qba n ASN 99 Ca 0.04 -0.38 0.00 0.00 1.68 0.00 0.00 54.58 55.92 2qba n ASN 99 Cb 0.44 -4.05 0.00 0.00 -1.54 0.00 0.00 39.78 34.63 2qba n ASN 99 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qba n ILE 100 N -2.07 0.00 0.00 2.41 3.06 -0.90 -5.03 119.36 116.83 2qba n ILE 100 Ca -0.11 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.14 2qba n ILE 100 Cb 0.57 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.75 2qba n ILE 100 CO 0.00 0.00 0.00 -0.38 -2.50 0.00 0.00 176.55 173.67 2qba n ILE 101 N 0.00 0.00 0.00 9.51 2.08 -1.25 -4.88 119.36 124.82 2qba n ILE 101 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2qba n ILE 101 Cb 0.32 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.21 2qba n ILE 101 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2qba n GLY 102 N 0.93 3.98 0.39 7.39 0.00 -1.26 -4.78 105.19 111.83 2qba n GLY 102 Ca 0.00 -0.73 0.19 0.00 0.00 0.00 0.00 46.02 45.48 2qba n GLY 102 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2qba h ILE 103 N 0.00 0.22 0.00 -0.61 5.03 -1.99 -0.30 117.51 119.86 2qba h ILE 103 Ca 0.00 0.00 -0.24 0.00 -0.12 0.00 0.00 64.86 64.50 2qba h ILE 103 Cb 0.00 0.54 -0.04 0.00 -3.03 0.00 0.00 36.82 34.29 2qba h ILE 103 CO 0.00 0.00 -1.57 1.56 -0.68 0.00 0.00 178.15 177.46 2qba h GLN 104 N 0.00 0.00 -6.78 2.37 1.08 -1.97 -3.48 115.11 106.33 2qba h GLN 104 Ca 0.18 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.83 2qba h GLN 104 Cb 1.27 0.00 0.20 0.00 -0.05 0.00 0.00 27.48 28.90 2qba h GLN 104 CO -0.00 0.42 -0.42 -0.89 -0.95 0.00 0.00 178.83 176.99 2qba n ILE 105 N -2.99 0.86 0.00 2.54 2.08 -0.12 -4.89 119.36 116.84 2qba n ILE 105 Ca -0.14 -0.27 0.00 0.00 0.56 0.00 0.00 62.75 62.91 2qba n ILE 105 Cb 0.96 -0.72 0.00 0.00 -0.75 0.00 0.00 39.64 39.13 2qba n ILE 105 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2qba n GLU 106 N -1.49 0.00 -4.36 0.38 1.02 0.63 -4.98 120.64 111.83 2qba n GLU 106 Ca 0.09 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.91 2qba n GLU 106 Cb 0.52 -0.30 -0.10 0.00 -0.02 0.00 0.00 31.44 31.54 2qba n GLU 106 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2qba s PHE 107 N -1.40 2.94 0.11 -0.32 0.08 -1.11 -5.01 117.98 113.26 2qba s PHE 107 Ca 0.00 -0.01 -0.20 0.00 0.12 0.00 0.00 56.93 56.84 2qba s PHE 107 Cb 0.00 -1.61 0.05 0.00 -0.57 0.00 0.00 43.02 40.89 2qba s PHE 107 CO 0.00 0.41 0.49 0.00 -0.10 0.00 0.00 175.22 176.02 2qba s ALA 108 N -1.07 -1.24 0.18 5.36 0.00 -1.26 0.12 121.76 123.86 2qba s ALA 108 Ca 0.19 0.31 0.11 0.00 0.00 0.00 0.00 51.96 52.57 2qba s ALA 108 Cb -0.11 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 2qba s ALA 108 CO 0.10 -0.63 -0.24 0.15 0.00 0.00 0.00 175.76 175.13 2qba s LYS 109 N -3.34 1.49 -0.09 0.00 -0.14 -1.24 -3.03 119.74 113.40 2qba s LYS 109 Ca -0.00 -1.50 -0.19 0.00 -1.36 0.00 0.00 55.97 52.92 2qba s LYS 109 Cb 0.00 -1.84 -0.15 0.00 -1.68 0.00 0.00 37.83 34.16 2qba s LYS 109 CO -0.09 0.40 0.65 0.28 -0.76 0.00 0.00 175.35 175.84 2qba h VAL 110 N 3.31 0.93 -3.61 3.17 2.07 -1.52 0.67 116.25 121.26 2qba h VAL 110 Ca -0.47 -1.44 0.31 0.00 0.82 0.00 0.00 66.70 65.92 2qba h VAL 110 Cb 1.20 1.66 -0.17 0.00 -1.52 0.00 0.00 31.29 32.46 2qba h VAL 110 CO 0.47 0.28 -1.27 -0.38 0.02 0.00 0.00 177.57 176.69 2qba n ILE 111 N -4.81 -1.23 -3.46 4.57 2.08 -1.26 -3.36 119.36 111.90 2qba n ILE 111 Ca -0.07 1.04 -0.38 0.00 0.56 0.00 0.00 62.75 63.90 2qba n ILE 111 Cb 0.27 -1.59 -0.09 0.00 -0.75 0.00 0.00 39.64 37.47 2qba n ILE 111 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2qba s LEU 112 N -7.09 4.05 -0.12 1.39 0.20 -1.26 -3.58 118.68 112.27 2qba s LEU 112 Ca 0.00 0.22 0.04 0.00 0.69 0.00 0.00 54.13 55.09 2qba s LEU 112 Cb 0.00 -2.33 -0.10 0.00 -0.43 0.00 0.00 46.19 43.33 2qba s LEU 112 CO 0.00 -0.12 -0.06 0.00 -0.29 0.00 0.00 176.35 175.89 2qba n ALA 113 N 5.09 1.73 0.00 5.97 0.00 -1.26 -4.75 120.51 127.29 2qba n ALA 113 Ca -0.10 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.74 2qba n ALA 113 Cb 0.51 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.10 2qba n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qba n GLY 114 N 2.68 1.78 3.20 0.00 0.00 -1.26 -4.82 105.19 106.77 2qba n GLY 114 Ca -0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 2qba n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qba s GLU 115 N 0.00 0.79 0.00 1.61 8.01 -1.26 -4.90 118.70 122.94 2qba s GLU 115 Ca 0.00 -0.77 0.00 0.00 0.01 0.00 0.00 54.97 54.21 2qba s GLU 115 Cb 0.00 0.33 0.00 0.00 -4.31 0.00 0.00 34.13 30.15 2qba s GLU 115 CO 0.00 -0.24 0.00 1.55 0.01 0.00 0.00 175.26 176.58 2qba n VAL 116 N 0.30 0.00 0.00 2.63 3.14 -1.26 -3.89 118.33 119.25 2qba n VAL 116 Ca -0.17 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 2qba n VAL 116 Cb 0.61 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.39 2qba n VAL 116 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2qba n THR 117 N -0.87 0.00 -2.62 1.55 -1.04 -1.26 -4.81 114.28 105.23 2qba n THR 117 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 2qba n THR 117 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 2qba n THR 117 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2qba s THR 118 N 0.00 4.29 0.22 12.58 -1.32 -1.26 -4.79 115.64 125.35 2qba s THR 118 Ca 0.00 1.85 -0.32 0.00 -1.21 0.00 0.00 61.69 62.02 2qba s THR 118 Cb 0.00 -4.18 -0.12 0.00 -1.51 0.00 0.00 72.50 66.69 2qba s THR 118 CO 0.00 0.26 1.70 -2.84 -2.21 0.00 0.00 174.62 171.53 2qba s PRO 119 N 0.13 4.13 0.07 7.08 0.02 -1.17 -4.96 135.00 140.31 2qba s PRO 119 Ca 0.50 2.59 0.02 0.00 0.02 0.00 0.00 61.00 64.13 2qba s PRO 119 Cb -0.26 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.16 2qba s PRO 119 CO 0.31 -0.73 -0.06 0.08 -0.33 0.00 0.00 177.00 176.26 2qba s VAL 120 N 1.05 0.58 -0.65 3.83 1.01 -1.26 -4.95 120.40 120.00 2qba s VAL 120 Ca 0.73 -1.63 0.05 0.00 0.00 0.00 0.00 61.98 61.13 2qba s VAL 120 Cb -0.49 -1.29 0.17 0.00 0.00 0.00 0.00 36.38 34.76 2qba s VAL 120 CO 0.34 -0.73 0.46 0.42 0.00 0.00 0.00 175.10 175.59 2qba s THR 121 N -2.90 2.51 0.08 3.92 -4.23 -1.26 -0.52 115.64 113.24 2qba s THR 121 Ca 0.04 -3.99 -0.36 0.00 -1.18 0.00 0.00 61.69 56.20 2qba s THR 121 Cb 0.00 -2.66 -0.15 0.00 1.34 0.00 0.00 72.50 71.03 2qba s THR 121 CO -0.04 -1.03 1.49 1.33 -0.54 0.00 0.00 174.62 175.83 2qba n VAL 122 N 2.16 0.05 -5.15 2.29 0.24 -0.84 -2.18 118.33 114.91 2qba n VAL 122 Ca 0.20 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.34 62.18 2qba n VAL 122 Cb 0.37 -1.17 -0.15 0.00 -1.47 0.00 0.00 33.84 31.41 2qba n VAL 122 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2qba s ARG 123 N 1.04 2.39 -0.86 7.34 3.00 0.53 -0.95 118.95 131.44 2qba s ARG 123 Ca 0.84 -0.84 -0.05 0.00 -1.00 0.00 0.00 55.73 54.68 2qba s ARG 123 Cb -0.84 -2.20 -0.00 0.00 0.00 0.00 0.00 34.95 31.91 2qba s ARG 123 CO 0.45 0.52 0.68 0.41 0.00 0.00 0.00 175.30 177.36 2qba n GLY 124 N 2.57 -1.22 3.69 8.12 0.00 -1.26 -1.73 105.19 115.36 2qba n GLY 124 Ca -0.17 0.53 -0.04 0.00 0.00 0.00 0.00 46.02 46.34 2qba n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qba n LEU 125 N -2.67 0.00 -4.66 0.99 4.77 -1.26 -3.74 117.00 110.42 2qba n LEU 125 Ca -0.16 -1.67 -0.23 0.00 -0.03 0.00 0.00 56.01 53.91 2qba n LEU 125 Cb 0.60 2.95 -0.07 0.00 -2.33 0.00 0.00 43.42 44.57 2qba n LEU 125 CO 0.61 -0.56 -0.29 -0.13 -1.33 0.00 0.00 177.39 175.69 2qba s ARG 126 N -2.06 2.26 -0.23 3.23 0.52 -1.17 -4.26 118.95 117.24 2qba s ARG 126 Ca 0.20 -1.52 -0.21 0.00 -0.52 0.00 0.00 55.73 53.69 2qba s ARG 126 Cb -0.03 -2.11 0.06 0.00 0.52 0.00 0.00 34.95 33.39 2qba s ARG 126 CO 0.07 0.26 0.60 0.54 0.02 0.00 0.00 175.30 176.79 2qba s VAL 127 N -2.39 -0.00 0.65 3.52 0.11 -1.26 -1.63 120.40 119.40 2qba s VAL 127 Ca 0.34 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.23 2qba s VAL 127 Cb -0.04 -0.84 -0.00 0.00 -1.53 0.00 0.00 36.38 33.96 2qba s VAL 127 CO 0.20 0.00 1.11 0.42 -3.33 0.00 0.00 175.10 173.50 2qba s THR 128 N 0.35 3.25 -1.65 5.04 -4.23 -1.26 -4.78 115.64 112.36 2qba s THR 128 Ca -0.00 0.59 0.15 0.00 -1.18 0.00 0.00 61.69 61.25 2qba s THR 128 Cb -0.04 -3.12 0.32 0.00 1.34 0.00 0.00 72.50 71.00 2qba s THR 128 CO 0.00 -0.35 1.37 2.29 -0.54 0.00 0.00 174.62 177.39 2qba n LYS 129 N -2.34 0.31 -0.05 3.99 2.85 -1.26 -0.29 118.16 121.37 2qba n LYS 129 Ca 0.10 0.09 -0.10 0.00 -1.05 0.00 0.00 58.31 57.35 2qba n LYS 129 Cb 0.52 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 33.25 2qba n LYS 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2qba n GLY 130 N -0.06 -0.94 0.12 2.58 0.00 -1.26 -3.99 105.19 101.64 2qba n GLY 130 Ca 0.09 -0.15 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 2qba n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qba h ALA 131 N 0.88 0.51 0.00 4.61 0.00 -1.63 -2.94 119.26 120.69 2qba h ALA 131 Ca -0.39 -1.37 0.00 0.00 0.00 0.00 0.00 54.91 53.16 2qba h ALA 131 Cb 2.08 0.57 0.00 0.00 0.00 0.00 0.00 17.79 20.44 2qba h ALA 131 CO 0.06 1.37 0.21 -0.09 0.00 0.00 0.00 179.25 180.79 2qba h ARG 132 N 0.05 0.00 0.02 0.00 2.43 -0.83 1.24 114.38 117.29 2qba h ARG 132 Ca -0.35 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.47 2qba h ARG 132 Cb 2.03 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.53 2qba h ARG 132 CO 0.10 0.00 -1.92 0.00 -1.51 0.00 0.00 179.97 176.64 2qba n ALA 133 N -1.91 1.00 -0.02 2.80 0.00 -1.24 -3.35 120.51 117.79 2qba n ALA 133 Ca -0.02 -0.77 0.02 0.00 0.00 0.00 0.00 53.44 52.66 2qba n ALA 133 Cb 0.26 -0.29 0.35 0.00 0.00 0.00 0.00 19.45 19.76 2qba n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qba h ALA 134 N -0.55 1.52 -0.31 0.00 0.00 -0.93 0.91 119.26 119.90 2qba h ALA 134 Ca -0.51 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.18 2qba h ALA 134 Cb 1.56 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2qba h ALA 134 CO -0.24 0.37 -0.24 0.97 0.00 0.00 0.00 179.25 180.11 2qba h ILE 135 N 0.57 1.30 0.00 0.00 2.10 0.13 -2.69 117.51 118.92 2qba h ILE 135 Ca 0.14 -1.39 -0.06 0.00 1.08 0.00 0.00 64.86 64.64 2qba h ILE 135 Cb 0.12 1.50 -0.01 0.00 -1.09 0.00 0.00 36.82 37.34 2qba h ILE 135 CO -0.01 0.45 -0.27 -0.33 -1.08 0.00 0.00 178.15 176.90 2qba h GLU 136 N 0.47 0.00 0.00 2.19 5.08 -1.38 0.36 114.58 121.30 2qba h GLU 136 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2qba h GLU 136 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2qba h GLU 136 CO 0.06 0.27 0.00 0.00 -1.00 0.00 0.00 179.01 178.34 2qba n ALA 137 N -2.21 1.45 -2.32 3.43 0.00 0.31 -1.17 120.51 119.99 2qba n ALA 137 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.39 2qba n ALA 137 Cb 0.51 -1.12 0.07 0.00 0.00 0.00 0.00 19.45 18.91 2qba n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qba n ALA 138 N -1.37 3.22 -3.58 0.00 0.00 -0.94 -4.97 120.51 112.87 2qba n ALA 138 Ca 0.03 -2.95 -0.25 0.00 0.00 0.00 0.00 53.44 50.27 2qba n ALA 138 Cb 0.07 -0.62 0.06 0.00 0.00 0.00 0.00 19.45 18.97 2qba n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qba n GLY 139 N -0.39 -0.54 3.89 0.00 0.00 -0.32 -3.02 105.19 104.81 2qba n GLY 139 Ca 0.16 0.23 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 2qba n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qba s GLY 140 N -3.23 1.95 0.10 -0.02 0.00 0.12 -4.37 107.32 101.88 2qba s GLY 140 Ca 0.56 -0.40 0.10 0.00 0.00 0.00 0.00 44.72 44.98 2qba s GLY 140 CO 0.70 -0.26 -0.23 1.25 0.00 0.00 0.00 173.10 174.55 2qba s LYS 141 N -3.54 1.66 -0.08 2.90 2.36 0.32 -4.30 119.74 119.07 2qba s LYS 141 Ca 0.47 -1.22 0.02 0.00 -2.55 0.00 0.00 55.97 52.70 2qba s LYS 141 Cb -0.11 -2.01 -0.02 0.00 -1.05 0.00 0.00 37.83 34.64 2qba s LYS 141 CO 0.29 0.48 -0.14 0.42 1.55 0.00 0.00 175.35 177.95 2qba s ILE 142 N -1.02 3.07 0.00 5.43 1.09 -1.26 -1.98 121.20 126.53 2qba s ILE 142 Ca 0.15 -0.70 0.00 0.00 -1.10 0.00 0.00 60.65 59.00 2qba s ILE 142 Cb -0.10 -2.23 0.00 0.00 -1.06 0.00 0.00 42.46 39.07 2qba s ILE 142 CO 0.06 0.57 0.00 -1.84 -0.10 0.00 0.00 174.94 173.64 2qba n GLU 143 N 2.69 0.00 -0.57 2.79 0.00 -0.13 -4.97 120.64 120.45 2qba n GLU 143 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.99 2qba n GLU 143 Cb 0.52 -0.29 0.00 0.00 0.00 0.00 0.00 31.44 31.67 2qba n GLU 143 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22