#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qxi s ILE 17 N 0.00 5.13 -1.40 1.39 -1.09 0.19 -4.03 121.20 121.39 2qxi s ILE 17 Ca 0.00 1.02 -0.08 0.00 -2.23 0.00 0.00 60.65 59.37 2qxi s ILE 17 Cb 0.00 -3.84 0.01 0.00 -1.58 0.00 0.00 42.46 37.05 2qxi s ILE 17 CO 0.00 0.35 1.01 -0.67 -1.23 0.00 0.00 174.94 174.40 2qxi n ASP 18 N 3.42 -6.28 0.00 3.58 4.64 -1.26 -2.40 116.55 118.24 2qxi n ASP 18 Ca -0.07 -0.46 0.00 0.00 -1.38 0.00 0.00 54.79 52.88 2qxi n ASP 18 Cb 0.52 -4.97 0.00 0.00 -1.04 0.00 0.00 41.12 35.63 2qxi n ASP 18 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2qxi n GLY 19 N -1.86 1.12 3.63 0.27 0.00 -1.26 -4.77 105.19 102.32 2qxi n GLY 19 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 2qxi n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qxi s ALA 20 N -2.50 -2.26 0.26 4.61 0.00 -0.74 -4.97 121.76 116.17 2qxi s ALA 20 Ca 0.00 1.72 -0.31 0.00 0.00 0.00 0.00 51.96 53.37 2qxi s ALA 20 Cb 0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 23.12 22.73 2qxi s ALA 20 CO 0.00 -0.65 1.54 -2.30 0.00 0.00 0.00 175.76 174.35 2qxi n PRO 21 N -0.11 2.44 -1.52 0.00 -0.02 -1.26 -0.01 135.00 134.52 2qxi n PRO 21 Ca 0.02 0.87 -0.35 0.00 -2.02 0.00 0.00 63.50 62.02 2qxi n PRO 21 Cb 0.58 -2.61 0.09 0.00 -0.02 0.00 0.00 33.50 31.53 2qxi n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qxi n ALA 23 N -2.51 2.71 -1.72 0.00 0.00 -1.26 -4.87 120.51 112.86 2qxi n ALA 23 Ca 0.14 0.39 -0.42 0.00 0.00 0.00 0.00 53.44 53.55 2qxi n ALA 23 Cb 0.50 -2.50 -0.03 0.00 0.00 0.00 0.00 19.45 17.42 2qxi n ALA 23 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2qxi n ARG 24 N 3.11 2.77 -0.87 0.00 3.00 -1.26 -1.89 116.66 121.51 2qxi n ARG 24 Ca 0.12 0.99 0.00 0.00 -0.00 0.00 0.00 57.85 58.97 2qxi n ARG 24 Cb 0.36 -2.83 0.00 0.00 0.00 0.00 0.00 32.46 29.99 2qxi n ARG 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qxi n GLY 25 N 3.55 1.13 0.17 5.14 0.00 -1.26 -4.90 105.19 109.02 2qxi n GLY 25 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.30 2qxi n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qxi n SER 26 N 0.00 0.67 -2.66 1.61 3.41 -0.79 -4.24 113.62 111.63 2qxi n SER 26 Ca 0.00 -0.70 -0.23 0.00 -0.26 0.00 0.00 58.87 57.68 2qxi n SER 26 Cb 0.00 -0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.94 2qxi n SER 26 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2qxi n HIS 27 N -0.83 2.88 0.52 7.33 8.25 -1.26 -4.90 115.22 127.21 2qxi n HIS 27 Ca 0.14 -3.28 0.08 0.00 -0.26 0.00 0.00 57.72 54.40 2qxi n HIS 27 Cb 0.30 -0.24 0.35 0.00 1.12 0.00 0.00 29.99 31.52 2qxi n HIS 27 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2qxi n PRO 28 N -0.30 0.02 0.00 -0.41 -0.04 -1.26 -1.55 135.00 131.46 2qxi n PRO 28 Ca 0.31 0.25 0.12 0.00 -0.04 0.00 0.00 63.50 64.14 2qxi n PRO 28 Cb 0.64 -1.54 0.21 0.00 -0.04 0.00 0.00 33.50 32.76 2qxi n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2qxi n TRP 29 N -1.58 0.00 -2.39 0.54 4.27 -1.23 -1.86 117.44 115.19 2qxi n TRP 29 Ca 0.04 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.24 2qxi n TRP 29 Cb 0.19 -0.08 -0.04 0.00 -1.36 0.00 0.00 31.31 30.03 2qxi n TRP 29 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 2qxi s GLN 30 N -2.54 4.51 0.32 -2.67 2.00 -0.60 -0.78 119.66 119.90 2qxi s GLN 30 Ca 0.21 1.86 0.05 0.00 -2.00 0.00 0.00 55.36 55.48 2qxi s GLN 30 Cb 0.19 -3.23 -0.06 0.00 0.80 0.00 0.00 33.01 30.70 2qxi s GLN 30 CO 0.57 -0.04 0.02 0.14 -0.50 0.00 0.00 175.29 175.47 2qxi s VAL 31 N -0.22 1.39 0.01 1.34 -7.23 -0.50 -4.55 120.40 110.65 2qxi s VAL 31 Ca 0.51 -2.03 0.08 0.00 -1.81 0.00 0.00 61.98 58.74 2qxi s VAL 31 Cb -0.32 -2.71 -0.02 0.00 0.56 0.00 0.00 36.38 33.89 2qxi s VAL 31 CO 0.37 -0.10 -0.26 0.00 -0.31 0.00 0.00 175.10 174.81 2qxi s ALA 32 N -3.16 2.17 -0.25 1.32 0.00 -0.74 -2.02 121.76 119.07 2qxi s ALA 32 Ca 0.34 -1.17 -0.10 0.00 0.00 0.00 0.00 51.96 51.03 2qxi s ALA 32 Cb 0.07 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2qxi s ALA 32 CO 0.14 0.52 0.14 -0.51 0.00 0.00 0.00 175.76 176.05 2qxi s LEU 33 N -0.91 3.90 0.11 0.00 1.43 0.46 -0.93 118.68 122.73 2qxi s LEU 33 Ca 0.11 -0.00 0.09 0.00 -1.03 0.00 0.00 54.13 53.29 2qxi s LEU 33 Cb -0.10 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 2qxi s LEU 33 CO 0.00 0.02 -0.18 -0.76 0.23 0.00 0.00 176.35 175.67 2qxi s LEU 34 N 1.32 2.69 -0.63 1.79 1.43 0.62 -0.65 118.68 125.24 2qxi s LEU 34 Ca 0.06 -0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 52.47 2qxi s LEU 34 Cb -0.15 -1.55 0.15 0.00 0.03 0.00 0.00 46.19 44.67 2qxi s LEU 34 CO 0.06 0.19 0.63 -0.55 0.23 0.00 0.00 176.35 176.91 2qxi s SER 35 N -2.04 6.34 1.55 2.29 0.15 0.22 -1.41 113.70 120.81 2qxi s SER 35 Ca 0.17 -1.95 0.00 0.00 0.70 0.00 0.00 55.95 54.87 2qxi s SER 35 Cb -0.11 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2qxi s SER 35 CO 0.09 -0.85 0.00 0.61 1.20 0.00 0.00 173.24 174.30 2qxi n GLY 36 N 4.95 2.39 0.58 9.45 0.00 -1.26 -1.86 105.19 119.44 2qxi n GLY 36 Ca -0.05 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.04 2qxi n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qxi n ASN 38 N 10.11 2.17 -4.72 1.61 4.13 -1.26 -4.61 115.26 122.69 2qxi n ASN 38 Ca 0.00 -1.59 -0.40 0.00 1.68 0.00 0.00 54.58 54.27 2qxi n ASN 38 Cb 0.00 0.13 -0.04 0.00 -1.54 0.00 0.00 39.78 38.33 2qxi n ASN 38 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2qxi s GLN 39 N -1.53 4.48 0.18 3.52 0.74 -0.78 -4.95 119.66 121.33 2qxi s GLN 39 Ca 0.18 1.05 -0.33 0.00 0.05 0.00 0.00 55.36 56.30 2qxi s GLN 39 Cb 0.14 -3.43 -0.14 0.00 1.10 0.00 0.00 33.01 30.67 2qxi s GLN 39 CO 0.26 0.08 1.49 -0.11 -0.55 0.00 0.00 175.29 176.47 2qxi n LEU 40 N 3.60 2.94 -0.03 3.68 7.94 -1.26 -0.61 117.00 133.25 2qxi n LEU 40 Ca 0.00 1.11 -0.08 0.00 -1.11 0.00 0.00 56.01 55.92 2qxi n LEU 40 Cb 0.51 -1.40 -0.03 0.00 0.53 0.00 0.00 43.42 43.03 2qxi n LEU 40 CO 0.48 -0.44 -0.64 1.57 -1.11 0.00 0.00 177.39 177.25 2qxi n HIS 41 N 2.80 0.00 -3.87 1.96 -0.00 0.17 -4.78 115.22 111.51 2qxi n HIS 41 Ca 0.15 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.78 2qxi n HIS 41 Cb 0.29 -0.31 -0.04 0.00 -0.00 0.00 0.00 29.99 29.92 2qxi n HIS 41 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2qxi n GLY 43 N -0.37 -0.31 3.85 0.00 0.00 0.75 -0.41 105.19 108.69 2qxi n GLY 43 Ca -0.05 -1.85 0.02 0.00 0.00 0.00 0.00 46.02 44.13 2qxi n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qxi s GLY 44 N -4.48 -0.24 -0.01 -0.02 0.00 -0.86 -4.17 107.32 97.54 2qxi s GLY 44 Ca 0.45 0.29 0.03 0.00 0.00 0.00 0.00 44.72 45.49 2qxi s GLY 44 CO 0.31 3.55 -0.09 -1.34 0.00 0.00 0.00 173.10 175.53 2qxi s VAL 45 N -2.15 0.74 -0.20 1.40 -7.23 -0.05 -1.41 120.40 111.50 2qxi s VAL 45 Ca 0.24 -0.38 -0.29 0.00 -1.81 0.00 0.00 61.98 59.73 2qxi s VAL 45 Cb 0.02 -0.63 0.00 0.00 0.56 0.00 0.00 36.38 36.33 2qxi s VAL 45 CO -0.02 0.22 1.02 -0.22 -0.31 0.00 0.00 175.10 175.79 2qxi s LEU 46 N -0.11 4.13 -0.18 1.32 2.96 0.04 -0.72 118.68 126.12 2qxi s LEU 46 Ca 0.02 1.40 -0.07 0.00 -0.22 0.00 0.00 54.13 55.26 2qxi s LEU 46 Cb -0.05 -3.53 -0.22 0.00 0.50 0.00 0.00 46.19 42.89 2qxi s LEU 46 CO -0.00 -0.61 0.14 0.52 -1.32 0.00 0.00 176.35 175.07 2qxi n VAL 47 N 5.14 1.66 -3.42 1.68 0.31 -0.16 -0.98 118.33 122.55 2qxi n VAL 47 Ca 0.11 -0.54 -0.04 0.00 -0.01 0.00 0.00 64.34 63.86 2qxi n VAL 47 Cb 0.47 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 2qxi n VAL 47 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2qxi n ASN 48 N -3.58 -0.78 0.30 4.52 0.23 -1.11 -4.50 115.26 110.34 2qxi n ASN 48 Ca -0.37 -1.64 0.20 0.00 -0.53 0.00 0.00 54.58 52.24 2qxi n ASN 48 Cb 0.98 1.33 1.05 0.00 -2.08 0.00 0.00 39.78 41.06 2qxi n ASN 48 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2qxi h GLU 49 N 0.00 0.00 -0.01 -3.83 3.07 -1.97 -2.51 114.58 109.33 2qxi h GLU 49 Ca -0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 2qxi h GLU 49 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 2qxi h GLU 49 CO 0.16 0.00 -0.01 0.54 -1.40 0.00 0.00 179.01 178.29 2qxi n ARG 50 N -2.93 0.01 -3.89 2.33 5.12 -1.26 -0.55 116.66 115.50 2qxi n ARG 50 Ca -0.02 -0.71 -0.15 0.00 -1.93 0.00 0.00 57.85 55.04 2qxi n ARG 50 Cb 0.09 -1.06 -0.15 0.00 -1.16 0.00 0.00 32.46 30.18 2qxi n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2qxi s TRP 51 N -0.43 0.14 -0.06 -1.55 0.52 -0.95 -0.72 118.94 115.90 2qxi s TRP 51 Ca 0.05 0.03 0.03 0.00 0.02 0.00 0.00 56.10 56.23 2qxi s TRP 51 Cb 0.04 -0.21 -0.02 0.00 -1.15 0.00 0.00 33.47 32.13 2qxi s TRP 51 CO 0.06 -0.06 -0.15 0.08 0.02 0.00 0.00 176.95 176.91 2qxi s VAL 52 N 0.55 3.02 -0.13 4.03 1.01 -0.32 -0.99 120.40 127.56 2qxi s VAL 52 Ca -0.05 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 2qxi s VAL 52 Cb -0.07 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 2qxi s VAL 52 CO -0.01 0.58 0.05 -0.22 0.00 0.00 0.00 175.10 175.50 2qxi s LEU 53 N -0.62 3.81 0.00 3.92 2.96 0.10 -0.43 118.68 128.43 2qxi s LEU 53 Ca 0.09 0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 54.16 2qxi s LEU 53 Cb -0.11 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.66 2qxi s LEU 53 CO 0.01 0.30 0.09 1.07 -1.32 0.00 0.00 176.35 176.50 2qxi n THR 54 N 2.69 0.00 -3.12 3.68 5.66 -0.26 -0.88 114.28 122.06 2qxi n THR 54 Ca -0.18 -0.20 -0.39 0.00 -3.05 0.00 0.00 64.05 60.23 2qxi n THR 54 Cb 0.53 0.15 -0.06 0.00 -1.55 0.00 0.00 70.33 69.40 2qxi n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qxi s ALA 55 N -1.47 3.51 0.52 1.79 0.00 -1.26 -1.05 121.76 123.80 2qxi s ALA 55 Ca 0.03 0.20 0.17 0.00 0.00 0.00 0.00 51.96 52.36 2qxi s ALA 55 Cb -0.00 -2.81 1.27 0.00 0.00 0.00 0.00 23.12 21.58 2qxi s ALA 55 CO 0.02 0.33 2.14 0.00 0.00 0.00 0.00 175.76 178.25 2qxi h ALA 56 N 4.51 1.95 0.00 0.00 0.00 -1.69 -1.89 119.26 122.15 2qxi h ALA 56 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2qxi h ALA 56 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2qxi h ALA 56 CO 0.65 0.02 0.00 -2.39 0.00 0.00 0.00 179.25 177.53 2qxi n HIS 57 N -4.49 0.10 1.41 0.00 1.44 -1.26 -1.87 115.22 110.55 2qxi n HIS 57 Ca -0.03 0.04 0.10 0.00 -2.01 0.00 0.00 57.72 55.82 2qxi n HIS 57 Cb 0.10 -0.57 0.41 0.00 0.12 0.00 0.00 29.99 30.05 2qxi n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2qxi n LYS 59 N 0.05 1.69 -4.14 0.00 3.00 -0.78 -5.00 118.16 112.98 2qxi n LYS 59 Ca 0.15 0.60 -0.11 0.00 -0.00 0.00 0.00 58.31 58.96 2qxi n LYS 59 Cb 0.26 -2.21 -0.09 0.00 0.00 0.00 0.00 35.03 32.99 2qxi n LYS 59 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 2qxi s MET 60 N -0.25 1.20 0.21 1.64 -1.94 -1.26 -5.07 119.30 113.83 2qxi s MET 60 Ca 0.72 -1.50 -0.04 0.00 -1.71 0.00 0.00 55.69 53.15 2qxi s MET 60 Cb -0.74 0.31 0.16 0.00 2.01 0.00 0.00 34.83 36.57 2qxi s MET 60 CO 0.49 -0.41 1.60 -0.97 -0.01 0.00 0.00 175.02 175.72 2qxi h ASN 61 N 2.60 0.76 -5.27 3.03 -1.24 -1.96 -3.46 115.58 110.04 2qxi h ASN 61 Ca -0.34 -0.30 -0.12 0.00 0.71 0.00 0.00 56.30 56.25 2qxi h ASN 61 Cb 1.24 -0.21 -0.13 0.00 0.73 0.00 0.00 38.32 39.94 2qxi h ASN 61 CO 0.51 1.01 -0.42 -1.61 -1.29 0.00 0.00 177.43 175.63 2qxi s GLU 62 N -4.47 1.00 0.04 6.67 2.02 -1.26 -4.63 118.70 118.07 2qxi s GLU 62 Ca -0.09 -1.18 -0.04 0.00 0.02 0.00 0.00 54.97 53.68 2qxi s GLU 62 Cb 0.13 0.33 -0.01 0.00 0.10 0.00 0.00 34.13 34.67 2qxi s GLU 62 CO 0.84 -0.33 0.07 0.71 0.02 0.00 0.00 175.26 176.56 2qxi s TYR 63 N -3.96 0.24 -0.16 1.61 1.51 -0.20 -4.91 117.35 111.48 2qxi s TYR 63 Ca 0.15 -0.56 -0.05 0.00 -1.01 0.00 0.00 57.07 55.60 2qxi s TYR 63 Cb 0.05 -0.17 -0.03 0.00 -0.11 0.00 0.00 41.96 41.69 2qxi s TYR 63 CO -0.03 -0.34 0.01 0.99 -1.11 0.00 0.00 175.55 175.07 2qxi s THR 64 N -2.56 4.30 -0.21 -0.71 2.01 -0.50 -0.88 115.64 117.09 2qxi s THR 64 Ca -0.05 -0.21 -0.07 0.00 0.31 0.00 0.00 61.69 61.66 2qxi s THR 64 Cb -0.02 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 2qxi s THR 64 CO -0.04 0.49 0.06 -0.69 -0.69 0.00 0.00 174.62 173.74 2qxi s VAL 65 N 0.27 4.48 -0.15 3.82 1.01 0.64 -0.28 120.40 130.21 2qxi s VAL 65 Ca -0.00 -0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.68 2qxi s VAL 65 Cb -0.13 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 2qxi s VAL 65 CO 0.02 0.40 0.45 -2.28 0.00 0.00 0.00 175.10 173.68 2qxi s HIS 66 N 0.99 3.47 0.06 5.22 5.65 -0.10 -1.29 115.29 129.29 2qxi s HIS 66 Ca 0.04 0.80 0.02 0.00 0.25 0.00 0.00 55.06 56.16 2qxi s HIS 66 Cb -0.14 -2.53 -0.03 0.00 -1.18 0.00 0.00 32.58 28.69 2qxi s HIS 66 CO 0.03 0.12 -0.07 -0.51 -0.65 0.00 0.00 174.74 173.66 2qxi s LEU 67 N 0.82 2.38 0.00 8.88 1.02 -0.33 -1.80 118.68 129.65 2qxi s LEU 67 Ca 0.23 -0.78 0.00 0.00 0.02 0.00 0.00 54.13 53.61 2qxi s LEU 67 Cb -0.15 -0.08 0.00 0.00 0.02 0.00 0.00 46.19 45.99 2qxi s LEU 67 CO 0.09 -0.35 0.00 0.61 0.02 0.00 0.00 176.35 176.71 2qxi n GLY 69 N 0.73 0.46 3.47 -3.19 0.00 -1.26 -1.43 105.19 103.97 2qxi n GLY 69 Ca -0.18 -0.94 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 2qxi n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qxi s SER 70 N -2.86 -0.59 0.32 1.61 0.15 -1.26 -4.79 113.70 106.29 2qxi s SER 70 Ca 0.00 1.12 0.26 0.00 0.70 0.00 0.00 55.95 58.03 2qxi s SER 70 Cb 0.00 1.14 1.03 0.00 -1.71 0.00 0.00 66.02 66.47 2qxi s SER 70 CO 0.00 -0.21 1.78 0.44 1.20 0.00 0.00 173.24 176.45 2qxi h ASP 71 N 5.18 0.00 -3.58 5.45 3.32 -1.94 -3.41 116.42 121.43 2qxi h ASP 71 Ca -0.28 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.10 2qxi h ASP 71 Cb 1.17 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.55 2qxi h ASP 71 CO 0.15 0.00 -0.10 -0.89 -1.72 0.00 0.00 179.24 176.69 2qxi s THR 72 N -3.37 5.01 0.23 0.35 2.01 -1.26 -0.78 115.64 117.84 2qxi s THR 72 Ca 0.04 -0.04 -0.31 0.00 0.31 0.00 0.00 61.69 61.69 2qxi s THR 72 Cb 0.09 -4.04 -0.11 0.00 0.01 0.00 0.00 72.50 68.45 2qxi s THR 72 CO 0.46 -0.39 1.65 -0.22 -0.69 0.00 0.00 174.62 175.43 2qxi s LEU 73 N 2.35 4.36 0.00 4.42 2.96 -0.02 -1.87 118.68 130.88 2qxi s LEU 73 Ca 0.16 2.86 0.00 0.00 -0.22 0.00 0.00 54.13 56.93 2qxi s LEU 73 Cb -0.16 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.92 2qxi s LEU 73 CO 0.15 -0.93 0.00 0.61 -1.32 0.00 0.00 176.35 174.86 2qxi n GLY 74 N 3.32 1.60 3.60 7.98 0.00 -1.26 -4.96 105.19 115.47 2qxi n GLY 74 Ca 0.13 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.59 2qxi n GLY 74 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qxi n ASP 75 N 0.00 1.34 0.31 1.61 -0.08 -0.78 -4.82 116.55 114.13 2qxi n ASP 75 Ca 0.00 1.13 0.19 0.00 -1.51 0.00 0.00 54.79 54.60 2qxi n ASP 75 Cb 0.00 -1.10 1.04 0.00 2.34 0.00 0.00 41.12 43.41 2qxi n ASP 75 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2qxi h ARG 76 N 4.65 0.00 -0.49 -0.67 3.08 -1.93 -2.20 114.38 116.83 2qxi h ARG 76 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 2qxi h ARG 76 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.41 2qxi h ARG 76 CO 0.79 0.01 0.00 0.54 -1.07 0.00 0.00 179.97 180.24 2qxi n ARG 77 N -3.40 2.57 -1.93 0.04 1.74 -1.26 -4.98 116.66 109.42 2qxi n ARG 77 Ca -0.03 -2.39 -0.33 0.00 -0.77 0.00 0.00 57.85 54.33 2qxi n ARG 77 Cb 0.10 -1.52 0.03 0.00 -1.02 0.00 0.00 32.46 30.05 2qxi n ARG 77 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qxi s ALA 78 N -1.33 2.59 0.20 7.54 0.00 -0.83 -5.01 121.76 124.93 2qxi s ALA 78 Ca 0.41 0.54 -0.30 0.00 0.00 0.00 0.00 51.96 52.62 2qxi s ALA 78 Cb 0.23 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.98 2qxi s ALA 78 CO 0.32 -1.04 1.10 -1.14 0.00 0.00 0.00 175.76 174.99 2qxi s GLN 79 N -3.95 4.61 -0.07 0.00 0.74 -0.51 -4.93 119.66 115.55 2qxi s GLN 79 Ca 0.67 1.73 0.01 0.00 0.05 0.00 0.00 55.36 57.82 2qxi s GLN 79 Cb -0.20 -3.26 0.02 0.00 1.10 0.00 0.00 33.01 30.68 2qxi s GLN 79 CO 0.38 0.12 -0.08 1.03 -0.55 0.00 0.00 175.29 176.19 2qxi s ARG 80 N -0.66 1.32 -0.04 1.67 0.52 -1.26 -1.19 118.95 119.32 2qxi s ARG 80 Ca 0.48 -0.26 0.02 0.00 -0.52 0.00 0.00 55.73 55.45 2qxi s ARG 80 Cb -0.30 -1.22 0.01 0.00 0.52 0.00 0.00 34.95 33.96 2qxi s ARG 80 CO 0.36 -0.07 -0.09 0.42 0.02 0.00 0.00 175.30 175.94 2qxi s ILE 81 N 0.97 0.81 0.39 1.52 1.01 -0.41 -4.94 121.20 120.55 2qxi s ILE 81 Ca -0.09 -0.33 -0.24 0.00 0.00 0.00 0.00 60.65 59.99 2qxi s ILE 81 Cb -0.15 -0.75 -0.09 0.00 0.01 0.00 0.00 42.46 41.48 2qxi s ILE 81 CO 0.00 0.27 1.04 -0.75 0.00 0.00 0.00 174.94 175.50 2qxi s LYS 82 N 0.52 4.21 -0.08 2.79 2.20 -1.26 -0.26 119.74 127.86 2qxi s LYS 82 Ca -0.09 1.49 -0.01 0.00 -0.36 0.00 0.00 55.97 57.00 2qxi s LYS 82 Cb -0.12 -2.57 0.03 0.00 -1.51 0.00 0.00 37.83 33.66 2qxi s LYS 82 CO 0.01 -0.10 -0.00 0.00 -0.36 0.00 0.00 175.35 174.90 2qxi s ALA 83 N -1.66 0.75 -0.67 3.13 0.00 -0.06 -0.64 121.76 122.62 2qxi s ALA 83 Ca 0.57 -0.17 0.07 0.00 0.00 0.00 0.00 51.96 52.43 2qxi s ALA 83 Cb -0.22 -0.77 0.17 0.00 0.00 0.00 0.00 23.12 22.31 2qxi s ALA 83 CO 0.27 -0.47 1.08 0.43 0.00 0.00 0.00 175.76 177.07 2qxi n SER 84 N 5.13 2.42 -4.03 0.00 7.64 -1.25 -1.03 113.62 122.49 2qxi n SER 84 Ca -0.07 -1.86 -0.20 0.00 1.01 0.00 0.00 58.87 57.74 2qxi n SER 84 Cb 0.50 -0.12 -0.15 0.00 -1.01 0.00 0.00 64.21 63.42 2qxi n SER 84 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2qxi s LYS 87 N -0.92 0.97 0.01 1.43 1.02 -1.26 -4.87 119.74 116.12 2qxi s LYS 87 Ca 0.14 -0.35 -0.19 0.00 0.02 0.00 0.00 55.97 55.58 2qxi s LYS 87 Cb 0.08 -0.91 0.04 0.00 -0.52 0.00 0.00 37.83 36.52 2qxi s LYS 87 CO 0.10 0.17 0.43 -1.54 -0.92 0.00 0.00 175.35 173.59 2qxi s SER 88 N -0.00 -0.32 -0.20 2.83 1.04 -1.26 -0.97 113.70 114.82 2qxi s SER 88 Ca -0.00 0.14 -0.04 0.00 0.48 0.00 0.00 55.95 56.53 2qxi s SER 88 Cb -0.07 0.41 0.07 0.00 0.10 0.00 0.00 66.02 66.53 2qxi s SER 88 CO 0.00 -0.59 0.08 -0.36 0.98 0.00 0.00 173.24 173.35 2qxi s PHE 89 N -1.93 0.54 0.54 5.02 0.08 0.31 -4.99 117.98 117.55 2qxi s PHE 89 Ca -0.09 -0.61 -0.18 0.00 0.12 0.00 0.00 56.93 56.17 2qxi s PHE 89 Cb -0.02 -0.87 -0.06 0.00 -0.57 0.00 0.00 43.02 41.50 2qxi s PHE 89 CO 0.02 -0.59 1.07 1.03 -0.10 0.00 0.00 175.22 176.64 2qxi s ARG 90 N 2.02 3.50 0.30 0.44 0.52 -1.26 -1.31 118.95 123.16 2qxi s ARG 90 Ca 0.02 1.38 -0.29 0.00 -0.52 0.00 0.00 55.73 56.32 2qxi s ARG 90 Cb -0.16 -2.05 -0.12 0.00 0.52 0.00 0.00 34.95 33.13 2qxi s ARG 90 CO -0.12 -0.69 1.40 1.58 0.02 0.00 0.00 175.30 177.49 2qxi n HIS 91 N -1.42 2.40 0.32 -0.53 -0.00 -0.24 -4.84 115.22 110.91 2qxi n HIS 91 Ca 0.10 0.45 0.11 0.00 -0.00 0.00 0.00 57.72 58.37 2qxi n HIS 91 Cb 0.52 -2.47 0.49 0.00 -0.00 0.00 0.00 29.99 28.53 2qxi n HIS 91 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2qxi n PRO 92 N 1.34 0.16 -0.03 1.57 -0.04 -1.26 -1.57 135.00 135.17 2qxi n PRO 92 Ca 0.07 0.48 0.13 0.00 -0.04 0.00 0.00 63.50 64.14 2qxi n PRO 92 Cb 0.35 -1.86 0.32 0.00 -0.04 0.00 0.00 33.50 32.27 2qxi n PRO 92 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qxi n GLY 93 N -0.44 0.57 3.77 0.55 0.00 -1.26 -4.97 105.19 103.41 2qxi n GLY 93 Ca 0.01 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 2qxi n GLY 93 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qxi s TYR 94 N -1.93 2.77 -0.13 1.61 5.04 -0.61 -4.58 117.35 119.52 2qxi s TYR 94 Ca 0.34 1.22 0.01 0.00 -2.44 0.00 0.00 57.07 56.20 2qxi s TYR 94 Cb 0.20 -3.90 -0.01 0.00 0.35 0.00 0.00 41.96 38.60 2qxi s TYR 94 CO 0.31 -2.64 -0.16 0.45 -1.34 0.00 0.00 175.55 172.17 2qxi s SER 95 N -0.19 3.69 0.00 4.32 0.15 -1.09 -5.00 113.70 115.58 2qxi s SER 95 Ca 0.52 -0.43 0.21 0.00 0.70 0.00 0.00 55.95 56.96 2qxi s SER 95 Cb -0.44 -1.55 0.92 0.00 -1.71 0.00 0.00 66.02 63.24 2qxi s SER 95 CO 0.58 0.14 1.68 0.35 1.20 0.00 0.00 173.24 177.19 2qxi n THR 96 N 3.69 0.53 -0.09 6.45 -2.24 -1.26 -0.84 114.28 120.51 2qxi n THR 96 Ca -0.19 0.13 -0.22 0.00 -2.27 0.00 0.00 64.05 61.50 2qxi n THR 96 Cb 0.52 -0.77 -0.12 0.00 -2.10 0.00 0.00 70.33 67.87 2qxi n THR 96 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2qxi n GLN 97 N -1.48 0.60 -0.01 -0.78 7.27 -1.26 -4.69 117.38 117.03 2qxi n GLN 97 Ca 0.06 0.51 0.10 0.00 0.07 0.00 0.00 57.00 57.73 2qxi n GLN 97 Cb 0.24 -1.72 -0.14 0.00 2.41 0.00 0.00 30.24 31.02 2qxi n GLN 97 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2qxi n THR 98 N -4.28 0.00 -1.51 1.69 -2.24 -1.23 -4.98 114.28 101.72 2qxi n THR 98 Ca -0.34 -0.35 -0.16 0.00 -2.27 0.00 0.00 64.05 60.94 2qxi n THR 98 Cb 0.75 0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 69.21 2qxi n THR 98 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2qxi n HIS 99 N -1.99 -0.05 -1.74 4.78 8.25 -0.02 -4.99 115.22 119.47 2qxi n HIS 99 Ca -0.02 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.06 2qxi n HIS 99 Cb 0.46 -2.80 0.05 0.00 1.12 0.00 0.00 29.99 28.81 2qxi n HIS 99 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2qxi n VAL 100 N -2.63 3.97 -3.62 1.59 3.14 -1.26 -3.13 118.33 116.39 2qxi n VAL 100 Ca -0.16 -0.50 -0.20 0.00 -2.96 0.00 0.00 64.34 60.51 2qxi n VAL 100 Cb 0.53 -1.64 0.05 0.00 -1.06 0.00 0.00 33.84 31.72 2qxi n VAL 100 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2qxi n ASN 101 N -1.10 -1.78 -4.09 6.55 3.02 -1.26 -2.67 115.26 113.92 2qxi n ASN 101 Ca 0.11 -0.75 -0.43 0.00 -0.03 0.00 0.00 54.58 53.49 2qxi n ASN 101 Cb 0.45 -4.42 0.00 0.00 -0.61 0.00 0.00 39.78 35.20 2qxi n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2qxi n ASP 102 N -3.07 4.51 -3.78 6.41 2.03 -1.18 -4.18 116.55 117.29 2qxi n ASP 102 Ca -0.27 -2.92 -0.12 0.00 0.52 0.00 0.00 54.79 52.01 2qxi n ASP 102 Cb 0.66 -1.66 -0.08 0.00 -0.72 0.00 0.00 41.12 39.33 2qxi n ASP 102 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 2qxi s LEU 103 N 2.47 0.98 -0.20 -2.67 2.34 -1.26 -3.81 118.68 116.53 2qxi s LEU 103 Ca 0.48 -0.16 -0.23 0.00 0.06 0.00 0.00 54.13 54.28 2qxi s LEU 103 Cb 0.09 1.24 0.06 0.00 -0.56 0.00 0.00 46.19 47.01 2qxi s LEU 103 CO -0.01 -0.56 0.62 -0.32 -1.06 0.00 0.00 176.35 175.03 2qxi s MET 104 N -2.21 0.78 -0.17 1.48 1.75 -0.21 -1.07 119.30 119.64 2qxi s MET 104 Ca -0.07 0.75 -0.06 0.00 -1.25 0.00 0.00 55.69 55.05 2qxi s MET 104 Cb -0.02 0.38 -0.04 0.00 2.84 0.00 0.00 34.83 37.99 2qxi s MET 104 CO -0.01 -0.12 0.02 -0.51 -0.65 0.00 0.00 175.02 173.74 2qxi s LEU 105 N 0.06 3.59 -0.20 4.11 1.43 -0.43 -1.10 118.68 126.14 2qxi s LEU 105 Ca -0.02 0.00 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 2qxi s LEU 105 Cb -0.04 -1.89 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 2qxi s LEU 105 CO 0.02 0.17 -0.03 -0.69 0.23 0.00 0.00 176.35 176.05 2qxi s VAL 106 N 0.36 3.56 -0.25 -1.59 1.01 0.43 -0.53 120.40 123.39 2qxi s VAL 106 Ca 0.00 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 2qxi s VAL 106 Cb -0.13 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 2qxi s VAL 106 CO 0.01 0.43 0.46 -0.75 0.00 0.00 0.00 175.10 175.25 2qxi s LYS 107 N 1.20 4.08 0.39 2.72 2.20 -0.14 -1.17 119.74 129.02 2qxi s LYS 107 Ca 0.03 0.23 -0.26 0.00 -0.36 0.00 0.00 55.97 55.61 2qxi s LYS 107 Cb -0.14 -3.62 -0.09 0.00 -1.51 0.00 0.00 37.83 32.46 2qxi s LYS 107 CO -0.00 -0.26 1.23 -0.51 -0.36 0.00 0.00 175.35 175.45 2qxi s LEU 108 N 2.01 4.23 0.40 5.43 1.43 0.10 -3.92 118.68 128.36 2qxi s LEU 108 Ca 0.19 2.49 0.26 0.00 -1.03 0.00 0.00 54.13 56.05 2qxi s LEU 108 Cb -0.15 -3.93 0.78 0.00 0.03 0.00 0.00 46.19 42.91 2qxi s LEU 108 CO 0.09 -0.72 1.75 0.78 0.23 0.00 0.00 176.35 178.49 2qxi h ASN 109 N 2.75 0.00 -5.26 2.29 2.35 -1.21 -3.44 115.58 113.06 2qxi h ASN 109 Ca -0.49 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 55.14 2qxi h ASN 109 Cb 1.24 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.47 2qxi h ASN 109 CO 0.63 0.00 -0.49 -0.94 -1.65 0.00 0.00 177.43 174.98 2qxi s SER 110 N -5.48 0.22 0.20 5.81 1.04 -1.26 -5.08 113.70 109.16 2qxi s SER 110 Ca 0.06 -0.90 -0.30 0.00 0.48 0.00 0.00 55.95 55.29 2qxi s SER 110 Cb 0.08 0.32 -0.08 0.00 0.10 0.00 0.00 66.02 66.44 2qxi s SER 110 CO 0.59 -0.74 1.18 -1.58 0.98 0.00 0.00 173.24 173.67 2qxi s GLN 111 N -3.94 4.52 0.31 4.02 0.74 -1.26 -4.85 119.66 119.19 2qxi s GLN 111 Ca 0.12 1.87 -0.29 0.00 0.05 0.00 0.00 55.36 57.11 2qxi s GLN 111 Cb 0.06 -3.23 -0.11 0.00 1.10 0.00 0.00 33.01 30.83 2qxi s GLN 111 CO -0.06 -0.04 1.50 0.00 -0.55 0.00 0.00 175.29 176.14 2qxi s ALA 112 N -0.28 3.64 -0.42 1.58 0.00 0.29 -4.98 121.76 121.59 2qxi s ALA 112 Ca 0.51 1.48 -0.26 0.00 0.00 0.00 0.00 51.96 53.70 2qxi s ALA 112 Cb -0.33 -3.60 0.02 0.00 0.00 0.00 0.00 23.12 19.22 2qxi s ALA 112 CO 0.38 -0.91 0.94 0.50 0.00 0.00 0.00 175.76 176.66 2qxi s ARG 113 N -1.07 3.67 0.42 0.00 3.52 -1.26 -4.82 118.95 119.41 2qxi s ARG 113 Ca 0.58 0.35 -0.18 0.00 -0.13 0.00 0.00 55.73 56.34 2qxi s ARG 113 Cb -0.45 -3.88 -0.10 0.00 -1.56 0.00 0.00 34.95 28.97 2qxi s ARG 113 CO 0.52 -1.12 0.90 -0.51 -0.81 0.00 0.00 175.30 174.27 2qxi s LEU 114 N 3.68 3.89 0.00 -0.88 1.43 -1.26 -4.79 118.68 120.75 2qxi s LEU 114 Ca 0.38 1.53 -0.02 0.00 -1.03 0.00 0.00 54.13 55.00 2qxi s LEU 114 Cb -0.11 -4.40 0.01 0.00 0.03 0.00 0.00 46.19 41.72 2qxi s LEU 114 CO 0.24 -0.38 0.09 -1.54 0.23 0.00 0.00 176.35 174.99 2qxi n SER 115 N -0.83 -0.18 0.21 2.29 3.41 -0.37 -4.92 113.62 113.23 2qxi n SER 115 Ca 0.06 -1.11 0.15 0.00 -0.26 0.00 0.00 58.87 57.70 2qxi n SER 115 Cb 0.54 0.30 0.71 0.00 -0.26 0.00 0.00 64.21 65.49 2qxi n SER 115 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2qxi h SER 116 N 0.18 0.00 -0.02 4.04 4.64 -2.01 -2.80 113.55 117.58 2qxi h SER 116 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2qxi h SER 116 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2qxi h SER 116 CO 0.04 0.00 -0.13 0.23 -0.87 0.00 0.00 176.83 176.10 2qxi n MET 117 N -2.56 1.40 -3.63 4.77 2.81 -1.26 -4.85 117.12 113.80 2qxi n MET 117 Ca -0.00 -1.12 -0.27 0.00 -1.81 0.00 0.00 57.70 54.50 2qxi n MET 117 Cb 0.14 -1.26 -0.16 0.00 -0.71 0.00 0.00 33.22 31.23 2qxi n MET 117 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2qxi s VAL 118 N -1.47 0.08 0.04 2.03 1.01 -1.06 -3.98 120.40 117.06 2qxi s VAL 118 Ca 0.15 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.74 2qxi s VAL 118 Cb 0.12 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 2qxi s VAL 118 CO 0.26 -0.36 -0.05 -0.54 0.00 0.00 0.00 175.10 174.42 2qxi s LYS 119 N 2.05 0.47 0.26 2.72 1.02 -0.78 -1.24 119.74 124.24 2qxi s LYS 119 Ca 0.03 -0.81 -0.30 0.00 0.02 0.00 0.00 55.97 54.91 2qxi s LYS 119 Cb -0.16 -0.02 -0.09 0.00 -0.52 0.00 0.00 37.83 37.03 2qxi s LYS 119 CO -0.14 -0.03 1.15 0.15 -0.92 0.00 0.00 175.35 175.56 2qxi s LYS 120 N -2.07 4.56 0.66 1.68 1.02 -1.26 -3.47 119.74 120.86 2qxi s LYS 120 Ca -0.08 1.87 -0.14 0.00 0.02 0.00 0.00 55.97 57.64 2qxi s LYS 120 Cb -0.06 -3.19 -0.00 0.00 -0.52 0.00 0.00 37.83 34.06 2qxi s LYS 120 CO -0.02 0.07 1.09 0.54 -0.92 0.00 0.00 175.35 176.11 2qxi s VAL 121 N -0.82 3.45 -0.48 3.17 0.11 -0.15 -4.90 120.40 120.78 2qxi s VAL 121 Ca 0.47 0.64 -0.20 0.00 -2.93 0.00 0.00 61.98 59.96 2qxi s VAL 121 Cb -0.33 -3.17 0.04 0.00 -1.53 0.00 0.00 36.38 31.38 2qxi s VAL 121 CO 0.41 -0.45 0.66 -0.60 -3.33 0.00 0.00 175.10 171.79 2qxi s ARG 122 N -4.24 3.21 0.53 1.54 3.52 -1.26 -4.91 118.95 117.34 2qxi s ARG 122 Ca 0.65 -0.58 -0.19 0.00 -0.13 0.00 0.00 55.73 55.48 2qxi s ARG 122 Cb -0.18 -4.02 -0.06 0.00 -1.56 0.00 0.00 34.95 29.12 2qxi s ARG 122 CO 0.43 -1.13 1.06 -0.51 -0.81 0.00 0.00 175.30 174.34 2qxi s LEU 123 N 2.84 3.71 0.42 -0.88 1.43 -1.26 -1.29 118.68 123.64 2qxi s LEU 123 Ca 0.20 1.94 -0.14 0.00 -1.03 0.00 0.00 54.13 55.10 2qxi s LEU 123 Cb -0.16 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.43 2qxi s LEU 123 CO 0.16 -1.00 0.84 -2.16 0.23 0.00 0.00 176.35 174.42 2qxi s PRO 124 N -3.52 3.90 0.12 1.29 0.04 -1.26 -4.80 135.00 130.77 2qxi s PRO 124 Ca 0.67 0.69 0.20 0.00 0.04 0.00 0.00 61.00 62.61 2qxi s PRO 124 Cb -0.18 -2.31 -0.09 0.00 0.04 0.00 0.00 34.50 31.96 2qxi s PRO 124 CO 0.27 -0.07 0.87 -1.13 0.04 0.00 0.00 177.00 176.98 2qxi n SER 125 N -1.16 0.73 -3.93 6.66 3.41 -1.26 -4.91 113.62 113.15 2qxi n SER 125 Ca 0.04 0.30 -0.09 0.00 -0.26 0.00 0.00 58.87 58.85 2qxi n SER 125 Cb 0.54 0.55 -0.07 0.00 -0.26 0.00 0.00 64.21 64.97 2qxi n SER 125 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2qxi s ARG 127 N -3.21 1.12 -0.23 4.33 0.52 -1.26 -5.11 118.95 115.10 2qxi s ARG 127 Ca -0.03 -1.12 -0.16 0.00 -0.52 0.00 0.00 55.73 53.90 2qxi s ARG 127 Cb 0.10 0.38 -0.04 0.00 0.52 0.00 0.00 34.95 35.91 2qxi s ARG 127 CO 0.81 -0.40 0.42 0.00 0.02 0.00 0.00 175.30 176.15 2qxi s GLU 129 N 1.76 3.86 0.69 0.00 0.41 -1.26 -5.01 118.70 119.14 2qxi s GLU 129 Ca 0.18 1.78 -0.11 0.00 -0.41 0.00 0.00 54.97 56.42 2qxi s GLU 129 Cb -0.15 -2.49 0.01 0.00 -1.78 0.00 0.00 34.13 29.72 2qxi s GLU 129 CO 0.09 -0.47 1.07 -1.25 -0.49 0.00 0.00 175.26 174.21 2qxi s PRO 130 N -2.58 2.89 0.38 0.39 0.04 -1.26 -4.98 135.00 129.87 2qxi s PRO 130 Ca 0.61 0.41 -0.25 0.00 0.04 0.00 0.00 61.00 61.81 2qxi s PRO 130 Cb -0.29 -2.06 -0.12 0.00 0.04 0.00 0.00 34.50 32.08 2qxi s PRO 130 CO 0.35 -0.98 0.97 -2.30 0.04 0.00 0.00 177.00 175.08 2qxi n PRO 132 N -2.94 1.29 -0.09 0.56 -0.02 -1.26 -2.34 135.00 130.18 2qxi n PRO 132 Ca 0.07 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2qxi n PRO 132 Cb 0.57 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 2qxi n PRO 132 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qxi n GLY 133 N 1.25 1.23 3.76 -1.23 0.00 0.35 -4.96 105.19 105.59 2qxi n GLY 133 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2qxi n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qxi s THR 134 N -2.55 2.82 0.07 2.61 2.01 -0.99 -4.64 115.64 114.97 2qxi s THR 134 Ca 0.00 0.77 -0.24 0.00 0.31 0.00 0.00 61.69 62.53 2qxi s THR 134 Cb 0.00 -3.49 -0.06 0.00 0.01 0.00 0.00 72.50 68.96 2qxi s THR 134 CO 0.00 0.16 0.73 -0.89 -0.69 0.00 0.00 174.62 173.93 2qxi s THR 135 N -0.75 4.66 0.18 -0.82 2.01 -1.26 -1.18 115.64 118.48 2qxi s THR 135 Ca 0.52 1.56 0.01 0.00 0.31 0.00 0.00 61.69 64.08 2qxi s THR 135 Cb -0.39 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.00 2qxi s THR 135 CO 0.48 0.43 0.04 0.00 -0.69 0.00 0.00 174.62 174.89 2qxi s THR 137 N -3.83 1.63 -0.03 0.00 2.01 -0.06 -1.21 115.64 114.16 2qxi s THR 137 Ca 0.27 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.54 2qxi s THR 137 Cb 0.07 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 2qxi s THR 137 CO 0.06 0.47 -0.11 0.54 -0.69 0.00 0.00 174.62 174.88 2qxi s VAL 138 N 0.48 3.32 0.08 3.82 0.11 -0.37 -1.09 120.40 126.74 2qxi s VAL 138 Ca -0.17 -0.74 0.03 0.00 -2.93 0.00 0.00 61.98 58.17 2qxi s VAL 138 Cb -0.17 -2.36 -0.03 0.00 -1.53 0.00 0.00 36.38 32.28 2qxi s VAL 138 CO 0.06 0.51 -0.08 -0.94 -3.33 0.00 0.00 175.10 171.33 2qxi s SER 139 N -1.01 1.14 0.00 3.54 1.04 -1.09 -1.59 113.70 115.73 2qxi s SER 139 Ca 0.13 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.78 2qxi s SER 139 Cb -0.11 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.06 2qxi s SER 139 CO 0.03 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.55 2qxi n GLY 140 N 0.67 0.48 1.26 7.32 0.00 -0.31 -4.29 105.19 110.33 2qxi n GLY 140 Ca -0.17 -0.96 0.09 0.00 0.00 0.00 0.00 46.02 44.98 2qxi n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2qxi n TRP 141 N -0.33 1.15 -1.02 1.61 8.01 -1.26 -1.45 117.44 124.14 2qxi n TRP 141 Ca 0.00 -0.62 -0.30 0.00 -1.31 0.00 0.00 57.50 55.27 2qxi n TRP 141 Cb 0.00 -0.19 0.24 0.00 -2.01 0.00 0.00 31.31 29.35 2qxi n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 2qxi s GLY 142 N -1.10 1.57 0.49 6.99 0.00 -1.26 -4.27 107.32 109.73 2qxi s GLY 142 Ca 0.44 -0.90 -0.24 0.00 0.00 0.00 0.00 44.72 44.02 2qxi s GLY 142 CO 0.21 -0.02 1.39 -1.08 0.00 0.00 0.00 173.10 173.60 2qxi s THR 143 N -2.94 2.13 -2.64 0.90 -1.32 -0.47 -3.05 115.64 108.25 2qxi s THR 143 Ca 0.70 0.11 0.24 0.00 -1.21 0.00 0.00 61.69 61.53 2qxi s THR 143 Cb -0.11 -3.06 0.15 0.00 -1.51 0.00 0.00 72.50 67.97 2qxi s THR 143 CO 0.56 0.01 1.25 0.35 -2.21 0.00 0.00 174.62 174.58 2qxi n THR 144 N -0.51 0.00 -4.18 5.08 -2.24 -0.18 -1.14 114.28 111.12 2qxi n THR 144 Ca 0.07 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.32 2qxi n THR 144 Cb 0.43 1.33 -0.11 0.00 -2.10 0.00 0.00 70.33 69.89 2qxi n THR 144 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2qxi s THR 145 N -2.16 0.89 -0.26 4.28 -4.23 -1.26 -4.43 115.64 108.47 2qxi s THR 145 Ca 0.26 -1.74 -0.23 0.00 -1.18 0.00 0.00 61.69 58.79 2qxi s THR 145 Cb 0.19 -1.47 0.07 0.00 1.34 0.00 0.00 72.50 72.64 2qxi s THR 145 CO 0.39 -0.66 0.68 -0.55 -0.54 0.00 0.00 174.62 173.94 2qxi s SER 146 N -2.65 -0.72 0.45 3.99 0.15 -1.26 -4.34 113.70 109.31 2qxi s SER 146 Ca 0.08 1.37 0.24 0.00 0.70 0.00 0.00 55.95 58.34 2qxi s SER 146 Cb -0.00 1.38 0.42 0.00 -1.71 0.00 0.00 66.02 66.11 2qxi s SER 146 CO -0.01 -0.24 1.64 1.55 1.20 0.00 0.00 173.24 177.38 2qxi h PRO 147 N 5.21 0.00 -6.44 5.44 0.13 -1.95 -3.43 132.00 130.95 2qxi h PRO 147 Ca -0.29 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.30 2qxi h PRO 147 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2qxi h PRO 147 CO 0.08 0.00 0.42 -0.51 -0.23 0.00 0.00 178.00 177.77 2qxi s ASP 148 N -6.17 7.29 0.25 1.44 1.01 -1.26 -5.00 116.67 114.24 2qxi s ASP 148 Ca 0.07 1.78 -0.06 0.00 0.71 0.00 0.00 52.55 55.05 2qxi s ASP 148 Cb 0.05 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.35 2qxi s ASP 148 CO 0.66 -0.31 0.52 0.68 0.21 0.00 0.00 175.17 176.93 2qxi s VAL 149 N 0.94 5.04 -0.19 -1.27 -7.23 -1.26 -4.42 120.40 111.99 2qxi s VAL 149 Ca 0.54 0.11 -0.04 0.00 -1.81 0.00 0.00 61.98 60.77 2qxi s VAL 149 Cb -0.24 -3.69 0.09 0.00 0.56 0.00 0.00 36.38 33.10 2qxi s VAL 149 CO 0.29 -0.21 0.23 -0.89 -0.31 0.00 0.00 175.10 174.20 2qxi s THR 150 N -1.96 -0.34 -0.24 5.32 2.01 -1.26 -4.93 115.64 114.24 2qxi s THR 150 Ca 0.44 -0.07 -0.08 0.00 0.31 0.00 0.00 61.69 62.29 2qxi s THR 150 Cb -0.11 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 2qxi s THR 150 CO 0.27 -0.17 0.11 -0.36 -0.69 0.00 0.00 174.62 173.78 2qxi s PHE 151 N 2.34 3.17 0.46 4.92 0.08 -1.26 -1.01 117.98 126.68 2qxi s PHE 151 Ca 0.07 -0.12 -0.16 0.00 0.12 0.00 0.00 56.93 56.83 2qxi s PHE 151 Cb -0.15 -2.24 -0.08 0.00 -0.57 0.00 0.00 43.02 39.97 2qxi s PHE 151 CO -0.12 -0.16 0.92 -1.25 -0.10 0.00 0.00 175.22 174.51 2qxi s PRO 152 N 1.33 3.99 0.05 0.24 0.04 -1.26 -5.00 135.00 134.38 2qxi s PRO 152 Ca 0.06 0.88 -0.08 0.00 0.04 0.00 0.00 61.00 61.90 2qxi s PRO 152 Cb -0.15 -2.21 -0.31 0.00 0.04 0.00 0.00 34.50 31.87 2qxi s PRO 152 CO 0.05 -0.14 1.06 0.66 0.04 0.00 0.00 177.00 178.67 2qxi h SER 153 N 1.30 0.57 -3.04 6.66 4.64 -1.93 -3.46 113.55 118.28 2qxi h SER 153 Ca -0.47 -0.63 -0.60 0.00 -0.47 0.00 0.00 61.79 59.62 2qxi h SER 153 Cb 1.18 -0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 63.04 2qxi h SER 153 CO 0.62 1.49 -0.29 -1.81 -0.87 0.00 0.00 176.83 175.97 2qxi s ASP 154 N -7.29 6.60 0.17 4.97 -0.00 -1.26 -0.84 116.67 119.02 2qxi s ASP 154 Ca -0.06 0.72 -0.32 0.00 -0.00 0.00 0.00 52.55 52.88 2qxi s ASP 154 Cb 0.06 -2.15 -0.12 0.00 -0.00 0.00 0.00 42.92 40.71 2qxi s ASP 154 CO 0.90 0.20 1.71 -0.11 -0.00 0.00 0.00 175.17 177.87 2qxi n LEU 155 N 0.97 3.75 -4.68 1.23 7.94 0.04 -4.85 117.00 121.40 2qxi n LEU 155 Ca -0.09 1.05 -0.30 0.00 -1.11 0.00 0.00 56.01 55.56 2qxi n LEU 155 Cb 0.52 -1.52 -0.08 0.00 0.53 0.00 0.00 43.42 42.87 2qxi n LEU 155 CO 0.42 0.05 -0.34 -0.04 -1.11 0.00 0.00 177.39 176.37 2qxi s MET 156 N 1.44 2.54 0.03 1.96 -1.94 -0.53 -0.94 119.30 121.85 2qxi s MET 156 Ca 0.78 -0.83 0.04 0.00 -1.71 0.00 0.00 55.69 53.97 2qxi s MET 156 Cb -0.55 -2.54 -0.02 0.00 2.01 0.00 0.00 34.83 33.73 2qxi s MET 156 CO 0.35 0.54 -0.12 0.00 -0.01 0.00 0.00 175.02 175.78 2qxi s VAL 158 N -0.77 0.16 -0.09 0.00 0.11 -0.62 -1.79 120.40 117.41 2qxi s VAL 158 Ca 0.01 -0.87 -0.13 0.00 -2.93 0.00 0.00 61.98 58.05 2qxi s VAL 158 Cb -0.07 -0.29 -0.05 0.00 -1.53 0.00 0.00 36.38 34.44 2qxi s VAL 158 CO 0.01 -0.45 0.33 -1.81 -3.33 0.00 0.00 175.10 169.84 2qxi s ASP 159 N -1.37 6.60 0.06 3.54 -0.00 -1.26 -1.24 116.67 122.99 2qxi s ASP 159 Ca -0.14 0.71 0.01 0.00 -0.00 0.00 0.00 52.55 53.12 2qxi s ASP 159 Cb -0.09 -2.20 -0.04 0.00 -0.00 0.00 0.00 42.92 40.59 2qxi s ASP 159 CO -0.01 0.24 -0.05 0.68 -0.00 0.00 0.00 175.17 176.03 2qxi s VAL 160 N -0.40 0.42 -0.04 -1.27 -7.23 -0.35 -4.83 120.40 106.71 2qxi s VAL 160 Ca 0.20 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 2qxi s VAL 160 Cb -0.14 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 2qxi s VAL 160 CO 0.08 -0.83 -0.02 -0.54 -0.31 0.00 0.00 175.10 173.48 2qxi s LYS 161 N -3.36 2.82 0.34 4.82 1.02 -0.46 -0.46 119.74 124.46 2qxi s LYS 161 Ca 0.05 -0.54 -0.29 0.00 0.02 0.00 0.00 55.97 55.21 2qxi s LYS 161 Cb 0.03 -2.68 -0.10 0.00 -0.52 0.00 0.00 37.83 34.56 2qxi s LYS 161 CO -0.06 0.66 1.35 -0.51 -0.92 0.00 0.00 175.35 175.87 2qxi s LEU 162 N -1.17 4.40 -0.09 3.17 1.43 -0.32 -1.47 118.68 124.62 2qxi s LEU 162 Ca 0.16 2.78 0.02 0.00 -1.03 0.00 0.00 54.13 56.05 2qxi s LEU 162 Cb -0.11 -3.66 -0.02 0.00 0.03 0.00 0.00 46.19 42.43 2qxi s LEU 162 CO 0.06 -0.62 -0.14 -0.63 0.23 0.00 0.00 176.35 175.25 2qxi s ILE 163 N -1.14 3.05 0.67 -0.59 1.01 -0.25 -0.50 121.20 123.46 2qxi s ILE 163 Ca 0.50 -0.69 -0.17 0.00 0.00 0.00 0.00 60.65 60.29 2qxi s ILE 163 Cb -0.41 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 39.83 2qxi s ILE 163 CO 0.55 0.56 1.21 -0.94 0.00 0.00 0.00 174.94 176.32 2qxi s SER 164 N -0.19 4.67 0.28 3.58 1.04 -1.26 -4.29 113.70 117.53 2qxi s SER 164 Ca 0.00 2.35 0.02 0.00 0.48 0.00 0.00 55.95 58.81 2qxi s SER 164 Cb -0.13 -2.59 0.58 0.00 0.10 0.00 0.00 66.02 63.98 2qxi s SER 164 CO 0.03 -1.94 1.82 -0.65 0.98 0.00 0.00 173.24 173.47 2qxi h PRO 165 N 0.22 0.89 -0.61 4.02 0.11 -1.96 0.32 132.00 134.99 2qxi h PRO 165 Ca -0.49 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.48 2qxi h PRO 165 Cb 1.30 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2qxi h PRO 165 CO 0.52 0.59 0.03 -0.56 -0.21 0.00 0.00 178.00 178.38 2qxi h GLN 166 N 0.92 1.05 -0.34 1.05 -0.00 -2.00 0.65 115.11 116.45 2qxi h GLN 166 Ca 0.51 -0.31 -0.16 0.00 -0.00 0.00 0.00 58.65 58.70 2qxi h GLN 166 Cb 0.58 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.48 27.95 2qxi h GLN 166 CO -0.30 1.00 -0.40 -0.44 -0.00 0.00 0.00 178.83 178.70 2qxi h ASP 167 N 0.97 0.93 0.09 0.06 3.45 -1.77 -3.20 116.42 116.95 2qxi h ASP 167 Ca 0.18 -0.49 -0.11 0.00 0.43 0.00 0.00 57.03 57.05 2qxi h ASP 167 Cb 0.51 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 39.00 2qxi h ASP 167 CO 0.02 1.23 -0.36 0.00 -1.57 0.00 0.00 179.24 178.56 2qxi h THR 169 N 0.32 1.09 -0.47 0.00 1.35 -0.87 -1.22 112.91 113.12 2qxi h THR 169 Ca 0.04 -0.43 0.05 0.00 -0.55 0.00 0.00 66.41 65.51 2qxi h THR 169 Cb 0.78 1.22 -0.03 0.00 -1.73 0.00 0.00 68.15 68.39 2qxi h THR 169 CO 0.06 0.12 0.31 0.11 -0.25 0.00 0.00 175.52 175.88 2qxi h LYS 170 N 0.02 0.43 0.00 4.72 1.57 -1.43 0.14 116.57 122.02 2qxi h LYS 170 Ca 0.00 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2qxi h LYS 170 Cb 0.22 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 2qxi h LYS 170 CO 0.02 0.29 -0.24 0.28 -0.57 0.00 0.00 179.45 179.22 2qxi h VAL 171 N 0.45 0.84 0.00 0.50 2.07 -1.39 -3.42 116.25 115.30 2qxi h VAL 171 Ca 0.20 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 66.02 2qxi h VAL 171 Cb 0.22 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 2qxi h VAL 171 CO -0.05 0.28 -1.21 -1.22 0.02 0.00 0.00 177.57 175.39 2qxi n TYR 172 N -4.64 0.02 0.00 1.57 4.01 -0.56 -5.01 117.16 112.54 2qxi n TYR 172 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 2qxi n TYR 172 Cb 0.32 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 2qxi n TYR 172 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2qxi n LYS 173 N -1.70 0.00 0.04 -0.72 5.02 0.46 -1.22 118.16 120.05 2qxi n LYS 173 Ca 0.02 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.39 2qxi n LYS 173 Cb 0.39 0.00 0.36 0.00 -0.02 0.00 0.00 35.03 35.76 2qxi n LYS 173 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2qxi n ASP 174 N 3.98 0.19 0.27 4.39 4.64 -1.26 -2.18 116.55 126.57 2qxi n ASP 174 Ca 0.00 0.55 0.17 0.00 -1.38 0.00 0.00 54.79 54.12 2qxi n ASP 174 Cb 0.00 -0.59 0.67 0.00 -1.04 0.00 0.00 41.12 40.16 2qxi n ASP 174 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 2qxi h LEU 175 N 0.00 0.00 -9.41 -2.67 3.38 -1.58 -3.43 115.31 101.59 2qxi h LEU 175 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 2qxi h LEU 175 Cb 0.28 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 2qxi h LEU 175 CO 0.00 0.03 -0.06 -0.22 0.09 0.00 0.00 178.44 178.27 2qxi s LEU 176 N -6.27 4.34 0.32 1.67 0.20 -0.93 -5.00 118.68 113.02 2qxi s LEU 176 Ca 0.01 1.00 0.09 0.00 0.69 0.00 0.00 54.13 55.92 2qxi s LEU 176 Cb 0.09 -2.83 -0.05 0.00 -0.43 0.00 0.00 46.19 42.97 2qxi s LEU 176 CO 0.55 0.03 -0.00 -1.61 -0.29 0.00 0.00 176.35 175.03 2qxi s GLU 177 N 0.32 2.08 0.35 1.98 0.41 -1.26 -4.98 118.70 117.60 2qxi s GLU 177 Ca 0.30 -1.70 0.02 0.00 -0.41 0.00 0.00 54.97 53.18 2qxi s GLU 177 Cb -0.17 -1.96 0.62 0.00 -1.78 0.00 0.00 34.13 30.85 2qxi s GLU 177 CO 0.14 0.18 2.00 -0.91 -0.49 0.00 0.00 175.26 176.18 2qxi h ASN 178 N 1.85 0.72 -0.46 -0.19 4.21 -2.02 -1.74 115.58 117.96 2qxi h ASN 178 Ca -0.43 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.05 2qxi h ASN 178 Cb 1.25 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 38.27 2qxi h ASN 178 CO 0.65 0.54 0.00 -1.54 -1.29 0.00 0.00 177.43 175.79 2qxi n SER 179 N -4.42 4.05 -4.84 5.81 3.41 -1.26 -4.85 113.62 111.52 2qxi n SER 179 Ca 0.06 -2.49 -0.38 0.00 -0.26 0.00 0.00 58.87 55.80 2qxi n SER 179 Cb 0.06 -0.56 -0.06 0.00 -0.26 0.00 0.00 64.21 63.39 2qxi n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2qxi s MET 180 N -2.01 3.83 -0.11 4.33 -1.94 -0.66 -0.90 119.30 121.85 2qxi s MET 180 Ca 0.39 0.25 0.03 0.00 -1.71 0.00 0.00 55.69 54.65 2qxi s MET 180 Cb 0.27 -3.23 0.00 0.00 2.01 0.00 0.00 34.83 33.88 2qxi s MET 180 CO 0.15 0.67 -0.23 -1.17 -0.01 0.00 0.00 175.02 174.44 2qxi s LEU 181 N -0.91 2.06 0.08 -0.03 2.96 0.60 -4.83 118.68 118.61 2qxi s LEU 181 Ca 0.21 -0.55 -0.05 0.00 -0.22 0.00 0.00 54.13 53.52 2qxi s LEU 181 Cb -0.15 -1.38 -0.05 0.00 0.50 0.00 0.00 46.19 45.11 2qxi s LEU 181 CO 0.10 0.13 0.32 0.00 -1.32 0.00 0.00 176.35 175.58 2qxi s ALA 183 N -1.50 -1.23 0.00 0.00 0.00 -0.44 -1.09 121.76 117.49 2qxi s ALA 183 Ca 0.35 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.28 2qxi s ALA 183 Cb -0.13 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.77 2qxi s ALA 183 CO 0.22 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.10 2qxi n GLY 184 N 1.63 -1.19 3.12 0.00 0.00 -0.54 -1.22 105.19 106.99 2qxi n GLY 184 Ca -0.18 -0.89 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 2qxi n GLY 184 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qxi s ILE 185 N -2.58 1.56 0.26 -0.61 -1.09 -1.26 -1.36 121.20 116.12 2qxi s ILE 185 Ca 0.00 -0.74 -0.31 0.00 -2.23 0.00 0.00 60.65 57.37 2qxi s ILE 185 Cb 0.00 -1.37 -0.13 0.00 -1.58 0.00 0.00 42.46 39.38 2qxi s ILE 185 CO 0.00 0.45 1.42 -2.65 -1.23 0.00 0.00 174.94 172.93 2qxi n PRO 186 N 3.57 2.14 -1.86 2.79 -0.02 -1.26 -2.24 135.00 138.12 2qxi n PRO 186 Ca -0.21 0.76 -0.14 0.00 -2.02 0.00 0.00 63.50 61.89 2qxi n PRO 186 Cb 0.52 -2.43 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 2qxi n PRO 186 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2qxi n ASP 186 N 2.02 -4.52 -4.29 2.55 8.00 -1.26 -4.96 116.55 114.09 2qxi n ASP 186 Ca 0.10 0.16 -0.27 0.00 0.71 0.00 0.00 54.79 55.49 2qxi n ASP 186 Cb 0.33 -3.48 -0.14 0.00 -0.02 0.00 0.00 41.12 37.80 2qxi n ASP 186 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2qxi s SER 186 N -2.60 2.76 0.08 -2.24 0.15 -0.95 -4.90 113.70 106.00 2qxi s SER 186 Ca 0.00 -0.57 0.24 0.00 0.70 0.00 0.00 55.95 56.32 2qxi s SER 186 Cb 0.00 -0.23 0.94 0.00 -1.71 0.00 0.00 66.02 65.02 2qxi s SER 186 CO 0.00 0.19 1.74 0.29 1.20 0.00 0.00 173.24 176.66 2qxi n LYS 187 N 1.74 0.08 -1.68 5.44 5.02 -1.26 -4.10 118.16 123.40 2qxi n LYS 187 Ca -0.17 0.17 -0.45 0.00 -2.02 0.00 0.00 58.31 55.84 2qxi n LYS 187 Cb 0.53 -1.61 -0.04 0.00 -0.02 0.00 0.00 35.03 33.89 2qxi n LYS 187 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2qxi n LYS 188 N -1.75 2.52 -3.78 1.97 5.02 -1.26 -4.35 118.16 116.54 2qxi n LYS 188 Ca 0.05 0.92 0.02 0.00 -2.02 0.00 0.00 58.31 57.28 2qxi n LYS 188 Cb 0.29 -2.80 0.00 0.00 -0.02 0.00 0.00 35.03 32.51 2qxi n LYS 188 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2qxi s ASN 189 N 3.34 -0.03 0.56 4.39 3.04 -1.01 -4.60 114.94 120.62 2qxi s ASN 189 Ca 0.87 -0.18 -0.07 0.00 0.04 0.00 0.00 52.86 53.51 2qxi s ASN 189 Cb -0.57 0.17 -0.03 0.00 -1.54 0.00 0.00 41.25 39.28 2qxi s ASN 189 CO 0.43 -0.32 0.90 0.00 -3.04 0.00 0.00 177.10 175.07 2qxi s ALA 190 N -2.25 3.26 0.15 1.71 0.00 -1.26 -0.63 121.76 122.74 2qxi s ALA 190 Ca 0.21 -0.41 -0.03 0.00 0.00 0.00 0.00 51.96 51.72 2qxi s ALA 190 Cb 0.02 -2.76 0.01 0.00 0.00 0.00 0.00 23.12 20.40 2qxi s ALA 190 CO -0.02 -0.58 0.24 0.00 0.00 0.00 0.00 175.76 175.40 2qxi n ASN 192 N -1.62 2.47 0.00 0.00 3.02 -1.26 -1.31 115.26 116.55 2qxi n ASN 192 Ca -0.01 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.67 2qxi n ASN 192 Cb 0.23 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 38.03 2qxi n ASN 192 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qxi n GLY 193 N 2.35 1.76 0.06 7.41 0.00 -1.26 -1.36 105.19 114.16 2qxi n GLY 193 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 2qxi n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qxi n ASP 194 N 0.00 0.68 -4.65 1.61 10.43 -0.43 -3.23 116.55 120.96 2qxi n ASP 194 Ca 0.00 0.16 -0.40 0.00 2.57 0.00 0.00 54.79 57.12 2qxi n ASP 194 Cb 0.00 0.03 0.02 0.00 1.84 0.00 0.00 41.12 43.02 2qxi n ASP 194 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 2qxi n SER 195 N -2.07 1.69 0.00 -2.24 7.64 -1.26 -1.72 113.62 115.65 2qxi n SER 195 Ca 0.04 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.91 2qxi n SER 195 Cb 0.43 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 2qxi n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qxi n GLY 196 N 1.05 2.74 3.85 0.23 0.00 0.11 -0.18 105.19 113.00 2qxi n GLY 196 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2qxi n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qxi s GLY 197 N -1.85 1.62 0.15 -0.02 0.00 -0.70 -3.24 107.32 103.28 2qxi s GLY 197 Ca 0.00 -0.35 -0.24 0.00 0.00 0.00 0.00 44.72 44.13 2qxi s GLY 197 CO 0.00 0.07 0.74 2.56 0.00 0.00 0.00 173.10 176.47 2qxi s PRO 198 N -5.32 4.49 -0.34 2.90 0.04 -1.26 -1.12 135.00 134.40 2qxi s PRO 198 Ca 0.60 1.08 -0.06 0.00 0.04 0.00 0.00 61.00 62.66 2qxi s PRO 198 Cb -0.12 -3.24 0.04 0.00 0.04 0.00 0.00 34.50 31.22 2qxi s PRO 198 CO 0.52 0.57 0.10 -1.17 0.04 0.00 0.00 177.00 177.07 2qxi s LEU 199 N -1.18 4.33 -0.09 -3.56 2.96 -0.31 -2.66 118.68 118.17 2qxi s LEU 199 Ca 0.35 -1.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.06 2qxi s LEU 199 Cb -0.22 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 2qxi s LEU 199 CO 0.25 -0.33 -0.07 0.68 -1.32 0.00 0.00 176.35 175.56 2qxi s VAL 200 N 1.37 3.69 -0.04 1.68 -7.23 -0.25 -0.85 120.40 118.77 2qxi s VAL 200 Ca -0.02 -0.47 -0.00 0.00 -1.81 0.00 0.00 61.98 59.68 2qxi s VAL 200 Cb -0.20 -2.53 0.03 0.00 0.56 0.00 0.00 36.38 34.24 2qxi s VAL 200 CO 0.02 0.58 0.01 0.00 -0.31 0.00 0.00 175.10 175.39 2qxi n ARG 202 N 4.55 -4.50 -0.54 0.00 1.74 -1.26 -1.88 116.66 114.77 2qxi n ARG 202 Ca -0.18 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 2qxi n ARG 202 Cb 0.50 -5.32 0.00 0.00 -1.02 0.00 0.00 32.46 26.63 2qxi n ARG 202 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qxi n GLY 203 N -1.57 0.94 3.27 -0.13 0.00 -1.26 -5.03 105.19 101.41 2qxi n GLY 203 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 2qxi n GLY 203 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qxi s THR 208 N -3.16 1.43 -0.35 2.61 -4.23 -0.79 -4.73 115.64 106.42 2qxi s THR 208 Ca 0.00 -1.88 -0.29 0.00 -1.18 0.00 0.00 61.69 58.34 2qxi s THR 208 Cb 0.00 -1.71 -0.00 0.00 1.34 0.00 0.00 72.50 72.13 2qxi s THR 208 CO 0.00 -0.49 1.47 -0.22 -0.54 0.00 0.00 174.62 174.84 2qxi s LEU 209 N -2.75 3.67 -0.09 4.79 2.96 -0.41 -1.17 118.68 125.68 2qxi s LEU 209 Ca 0.13 1.07 0.17 0.00 -0.22 0.00 0.00 54.13 55.28 2qxi s LEU 209 Cb -0.03 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.88 2qxi s LEU 209 CO 0.04 -1.38 0.24 0.00 -1.32 0.00 0.00 176.35 173.92 2qxi n GLN 210 N 7.93 0.87 -3.90 1.98 1.13 -0.03 -4.09 117.38 121.28 2qxi n GLN 210 Ca 0.17 -0.09 -0.09 0.00 -1.94 0.00 0.00 57.00 55.05 2qxi n GLN 210 Cb 0.47 -1.43 -0.08 0.00 0.11 0.00 0.00 30.24 29.31 2qxi n GLN 210 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2qxi s GLY 211 N -4.55 0.14 -0.09 1.08 0.00 -0.77 -1.65 107.32 101.48 2qxi s GLY 211 Ca -0.07 -0.63 0.03 0.00 0.00 0.00 0.00 44.72 44.05 2qxi s GLY 211 CO 0.73 -0.80 -0.19 1.08 0.00 0.00 0.00 173.10 173.91 2qxi s LEU 212 N -2.63 2.38 0.18 0.66 1.43 -0.81 -1.16 118.68 118.73 2qxi s LEU 212 Ca 0.02 -0.42 -0.33 0.00 -1.03 0.00 0.00 54.13 52.37 2qxi s LEU 212 Cb 0.03 -1.49 -0.13 0.00 0.03 0.00 0.00 46.19 44.64 2qxi s LEU 212 CO -0.09 0.21 1.60 0.52 0.23 0.00 0.00 176.35 178.82 2qxi n VAL 213 N 3.18 0.12 0.06 -1.59 0.31 -0.27 -0.84 118.33 119.30 2qxi n VAL 213 Ca -0.18 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2qxi n VAL 213 Cb 0.52 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 2qxi n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2qxi n SER 214 N 3.39 0.95 -3.87 4.52 2.88 -0.31 -0.71 113.62 120.47 2qxi n SER 214 Ca 0.16 0.16 -0.07 0.00 -1.33 0.00 0.00 58.87 57.79 2qxi n SER 214 Cb 0.31 -0.26 -0.03 0.00 -0.75 0.00 0.00 64.21 63.48 2qxi n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2qxi s TRP 215 N -2.00 -0.11 0.00 0.66 1.48 -0.56 -4.92 118.94 113.49 2qxi s TRP 215 Ca 0.00 -0.33 0.00 0.00 -1.06 0.00 0.00 56.10 54.71 2qxi s TRP 215 Cb 0.00 0.62 0.00 0.00 -1.16 0.00 0.00 33.47 32.93 2qxi s TRP 215 CO 0.00 -1.19 0.00 0.41 -4.06 0.00 0.00 176.95 172.11 2qxi n GLY 216 N -0.44 2.49 3.98 3.67 0.00 -1.26 -0.50 105.19 113.12 2qxi n GLY 216 Ca -0.04 -0.77 -0.20 0.00 0.00 0.00 0.00 46.02 45.01 2qxi n GLY 216 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qxi s THR 217 N -2.83 4.32 -0.09 2.61 -4.23 -1.26 -5.04 115.64 109.11 2qxi s THR 217 Ca 0.00 -0.90 0.02 0.00 -1.18 0.00 0.00 61.69 59.63 2qxi s THR 217 Cb 0.00 -3.52 0.01 0.00 1.34 0.00 0.00 72.50 70.33 2qxi s THR 217 CO 0.00 -0.23 -0.15 0.12 -0.54 0.00 0.00 174.62 173.82 2qxi s PHE 218 N -2.20 1.82 0.70 3.99 5.36 -1.26 -3.11 117.98 123.28 2qxi s PHE 218 Ca 0.43 -0.77 -0.16 0.00 -0.96 0.00 0.00 56.93 55.47 2qxi s PHE 218 Cb -0.09 -1.31 0.02 0.00 -0.34 0.00 0.00 43.02 41.30 2qxi s PHE 218 CO 0.32 -0.39 1.22 -1.25 -1.46 0.00 0.00 175.22 173.66 2qxi s PRO 219 N 0.79 2.34 0.91 10.12 0.04 -1.26 -5.12 135.00 142.83 2qxi s PRO 219 Ca -0.11 1.80 -0.11 0.00 0.04 0.00 0.00 61.00 62.62 2qxi s PRO 219 Cb -0.16 -1.85 0.14 0.00 0.04 0.00 0.00 34.50 32.67 2qxi s PRO 219 CO 0.02 -1.69 1.11 0.00 0.04 0.00 0.00 177.00 176.48 2qxi n GLY 220 N -0.24 0.43 3.69 0.00 0.00 -1.26 -4.79 105.19 103.01 2qxi n GLY 220 Ca 0.09 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 2qxi n GLY 220 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qxi s GLN 221 N -3.34 4.36 0.27 1.61 -0.21 -1.26 -4.25 119.66 116.84 2qxi s GLN 221 Ca 0.00 1.61 -0.30 0.00 0.02 0.00 0.00 55.36 56.69 2qxi s GLN 221 Cb 0.00 -3.56 -0.13 0.00 1.00 0.00 0.00 33.01 30.32 2qxi s GLN 221 CO 0.00 -0.43 1.46 -2.30 -2.12 0.00 0.00 175.29 171.90 2qxi n PRO 222 N 5.21 2.27 -0.99 2.91 -0.02 -1.26 -1.88 135.00 141.24 2qxi n PRO 222 Ca 0.11 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 2qxi n PRO 222 Cb 0.47 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2qxi n PRO 222 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qxi n ASN 223 N 2.01 -2.89 -4.34 2.55 5.03 -1.26 -4.91 115.26 111.44 2qxi n ASN 223 Ca 0.10 0.00 -0.45 0.00 0.87 0.00 0.00 54.58 55.10 2qxi n ASN 223 Cb 0.34 -0.90 -0.07 0.00 -1.02 0.00 0.00 39.78 38.13 2qxi n ASN 223 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2qxi s ASP 224 N -2.15 6.11 0.72 6.41 -0.00 -0.79 -5.01 116.67 121.97 2qxi s ASP 224 Ca 0.00 -1.53 -0.16 0.00 -0.00 0.00 0.00 52.55 50.86 2qxi s ASP 224 Cb 0.00 -2.17 0.03 0.00 -0.00 0.00 0.00 42.92 40.78 2qxi s ASP 224 CO 0.00 -0.72 1.25 -2.84 -0.00 0.00 0.00 175.17 172.86 2qxi s PRO 225 N 1.60 2.13 0.47 8.23 0.02 -1.26 -4.77 135.00 141.42 2qxi s PRO 225 Ca 0.04 1.90 -0.21 0.00 0.02 0.00 0.00 61.00 62.75 2qxi s PRO 225 Cb -0.26 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.36 2qxi s PRO 225 CO 0.05 -1.88 1.09 0.20 -0.33 0.00 0.00 177.00 176.12 2qxi s GLY 226 N -1.78 2.64 -0.08 0.52 0.00 -0.36 -4.65 107.32 103.62 2qxi s GLY 226 Ca 0.78 0.74 0.05 0.00 0.00 0.00 0.00 44.72 46.29 2qxi s GLY 226 CO 0.45 1.12 -0.24 0.14 0.00 0.00 0.00 173.10 174.56 2qxi s VAL 227 N -1.78 2.10 0.08 1.40 1.01 0.35 -1.33 120.40 122.23 2qxi s VAL 227 Ca 0.66 -1.03 0.07 0.00 0.00 0.00 0.00 61.98 61.68 2qxi s VAL 227 Cb -0.22 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 2qxi s VAL 227 CO 0.26 0.56 -0.19 -0.31 0.00 0.00 0.00 175.10 175.43 2qxi s TYR 228 N 0.07 1.60 0.01 5.22 1.51 0.37 -1.16 117.35 124.98 2qxi s TYR 228 Ca -0.11 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.23 2qxi s TYR 228 Cb -0.16 -0.89 -0.05 0.00 -0.11 0.00 0.00 41.96 40.75 2qxi s TYR 228 CO 0.06 0.14 1.27 0.99 -1.11 0.00 0.00 175.55 176.90 2qxi s THR 229 N -1.13 3.96 -0.73 -0.71 2.01 -0.02 -0.29 115.64 118.73 2qxi s THR 229 Ca 0.04 1.36 -0.25 0.00 0.31 0.00 0.00 61.69 63.14 2qxi s THR 229 Cb -0.10 -3.87 0.05 0.00 0.01 0.00 0.00 72.50 68.59 2qxi s THR 229 CO 0.03 0.04 1.17 -1.58 -0.69 0.00 0.00 174.62 173.59 2qxi s GLN 230 N 1.80 3.18 0.42 4.92 0.74 -0.08 -1.93 119.66 128.72 2qxi s GLN 230 Ca 0.60 -0.52 0.08 0.00 0.05 0.00 0.00 55.36 55.57 2qxi s GLN 230 Cb -0.29 -4.26 0.90 0.00 1.10 0.00 0.00 33.01 30.47 2qxi s GLN 230 CO 0.26 -2.03 2.06 0.28 -0.55 0.00 0.00 175.29 175.32 2qxi h VAL 231 N 6.04 1.08 0.00 1.34 2.07 -1.60 -1.68 116.25 123.49 2qxi h VAL 231 Ca -0.26 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2qxi h VAL 231 Cb 1.06 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2qxi h VAL 231 CO 1.25 0.09 0.00 0.00 0.02 0.00 0.00 177.57 178.93 2qxi n LYS 233 N -1.39 0.92 -0.00 0.00 4.76 -0.63 -4.54 118.16 117.26 2qxi n LYS 233 Ca 0.03 -0.65 0.00 0.00 -2.87 0.00 0.00 58.31 54.81 2qxi n LYS 233 Cb 0.07 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 2qxi n LYS 233 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 2qxi n PHE 234 N -0.47 0.00 -0.03 2.13 3.72 -0.31 -4.82 117.46 117.68 2qxi n PHE 234 Ca 0.10 -0.34 -0.06 0.00 -0.05 0.00 0.00 57.45 57.10 2qxi n PHE 234 Cb 0.39 -0.04 0.13 0.00 -0.94 0.00 0.00 39.48 39.02 2qxi n PHE 234 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2qxi h THR 235 N 1.00 1.28 -0.22 4.37 1.35 -1.79 -0.67 112.91 118.23 2qxi h THR 235 Ca 0.00 -1.39 0.01 0.00 -0.55 0.00 0.00 66.41 64.48 2qxi h THR 235 Cb 0.67 1.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 2qxi h THR 235 CO 0.00 0.45 0.12 0.50 -0.25 0.00 0.00 175.52 176.34 2qxi h LYS 236 N 0.54 0.25 -0.79 4.72 3.64 -1.93 -1.47 116.57 121.53 2qxi h LYS 236 Ca 0.07 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2qxi h LYS 236 Cb 0.77 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.49 2qxi h LYS 236 CO 0.06 0.17 0.47 2.35 -2.27 0.00 0.00 179.45 180.23 2qxi h TRP 237 N 0.26 1.05 0.06 1.91 7.01 -1.79 0.12 115.95 124.57 2qxi h TRP 237 Ca 0.08 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.07 2qxi h TRP 237 Cb -0.00 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 26.71 2qxi h TRP 237 CO -0.08 0.71 -0.03 0.82 -2.79 0.00 0.00 178.44 177.07 2qxi h ILE 238 N 1.08 0.94 -0.26 2.65 2.04 -0.93 -0.17 117.51 122.86 2qxi h ILE 238 Ca 0.28 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 66.10 2qxi h ILE 238 Cb -0.03 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2qxi h ILE 238 CO -0.05 0.00 0.05 0.78 0.00 0.00 0.00 178.15 178.93 2qxi h ASN 239 N -0.09 0.41 -0.77 1.72 -0.26 -1.03 -2.31 115.58 113.26 2qxi h ASN 239 Ca -0.01 -0.25 -0.00 0.00 -0.56 0.00 0.00 56.30 55.48 2qxi h ASN 239 Cb 0.07 -0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 37.18 2qxi h ASN 239 CO 0.01 0.56 0.48 0.44 -1.06 0.00 0.00 177.43 177.87 2qxi h ASP 240 N 0.25 0.91 -0.40 5.81 5.19 -0.67 -1.24 116.42 126.28 2qxi h ASP 240 Ca 0.08 -0.05 -0.13 0.00 -0.62 0.00 0.00 57.03 56.31 2qxi h ASP 240 Cb 0.32 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 2qxi h ASP 240 CO 0.00 0.69 -0.28 0.74 -3.12 0.00 0.00 179.24 177.28 2qxi h THR 241 N 1.05 1.28 -0.80 0.35 2.02 -0.92 -1.40 112.91 114.49 2qxi h THR 241 Ca 0.28 -1.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.01 2qxi h THR 241 Cb -0.07 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 2qxi h THR 241 CO -0.06 0.48 0.44 0.24 0.37 0.00 0.00 175.52 177.00 2qxi h MET 242 N 0.70 1.12 -0.64 6.66 2.86 -1.22 -2.00 114.93 122.42 2qxi h MET 242 Ca 0.08 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2qxi h MET 242 Cb 0.85 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 2qxi h MET 242 CO 0.07 0.83 0.38 -0.22 1.06 0.00 0.00 176.91 179.04 2qxi h LYS 243 N 1.12 0.87 -0.77 1.72 1.63 -1.03 -2.87 116.57 117.24 2qxi h LYS 243 Ca 0.28 -0.08 -0.06 0.00 -0.85 0.00 0.00 60.65 59.95 2qxi h LYS 243 Cb 0.03 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.45 2qxi h LYS 243 CO -0.05 0.62 0.26 -0.22 -3.45 0.00 0.00 179.45 176.62 2qxi h LYS 244 N 0.87 1.18 -1.00 1.90 3.64 -0.99 -3.15 116.57 119.02 2qxi h LYS 244 Ca 0.23 -0.24 -0.45 0.00 -1.27 0.00 0.00 60.65 58.92 2qxi h LYS 244 Cb -0.02 -0.18 -0.26 0.00 -0.41 0.00 0.00 32.23 31.36 2qxi h LYS 244 CO -0.04 0.98 0.57 0.72 -2.27 0.00 0.00 179.45 179.41 2qxi n HIS 245 N -4.26 2.64 0.00 1.91 8.25 -0.77 -5.10 115.22 117.89 2qxi n HIS 245 Ca 0.06 -1.69 0.00 0.00 -0.26 0.00 0.00 57.72 55.83 2qxi n HIS 245 Cb 0.22 -0.87 0.00 0.00 1.12 0.00 0.00 29.99 30.46 2qxi n HIS 245 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85