#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qsu s ILE 22 N 0.00 4.82 0.52 -3.67 1.01 -1.26 -5.15 121.20 117.48 2qsu s ILE 22 Ca 0.00 -0.03 -0.20 0.00 0.00 0.00 0.00 60.65 60.42 2qsu s ILE 22 Cb 0.00 -3.12 -0.07 0.00 0.01 0.00 0.00 42.46 39.28 2qsu s ILE 22 CO 0.00 0.53 1.11 -0.76 0.00 0.00 0.00 174.94 175.82 2qsu s LEU 23 N -0.22 3.80 0.36 2.97 1.43 -1.26 -5.03 118.68 120.73 2qsu s LEU 23 Ca 0.08 2.13 -0.11 0.00 -1.03 0.00 0.00 54.13 55.20 2qsu s LEU 23 Cb -0.12 -4.55 0.03 0.00 0.03 0.00 0.00 46.19 41.59 2qsu s LEU 23 CO 0.01 -1.09 0.67 0.00 0.23 0.00 0.00 176.35 176.17 2qsu s ARG 24 N -3.22 2.09 0.30 1.70 1.70 -1.26 -5.14 118.95 115.13 2qsu s ARG 24 Ca 0.71 -1.53 -0.29 0.00 -0.47 0.00 0.00 55.73 54.14 2qsu s ARG 24 Cb -0.23 0.56 -0.10 0.00 -0.57 0.00 0.00 34.95 34.61 2qsu s ARG 24 CO 0.26 -0.94 1.32 -2.14 -1.08 0.00 0.00 175.30 172.72 2qsu s PRO 25 N -2.66 4.36 0.05 3.89 0.02 -1.26 -4.57 135.00 134.82 2qsu s PRO 25 Ca 0.21 2.20 -0.38 0.00 0.02 0.00 0.00 61.00 63.04 2qsu s PRO 25 Cb -0.03 -3.09 -0.18 0.00 0.02 0.00 0.00 34.50 31.21 2qsu s PRO 25 CO 0.14 -0.22 1.22 -0.89 -0.33 0.00 0.00 177.00 176.93 2qsu n ILE 26 N 1.24 0.00 -0.05 2.83 5.41 -0.64 -4.94 119.36 123.21 2qsu n ILE 26 Ca 0.02 -0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.71 2qsu n ILE 26 Cb 0.42 -0.45 -0.06 0.00 -0.71 0.00 0.00 39.64 38.84 2qsu n ILE 26 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2qsu n SER 27 N 2.06 3.09 -3.98 4.38 3.41 -1.26 -4.66 113.62 116.66 2qsu n SER 27 Ca 0.19 -0.03 -0.13 0.00 -0.26 0.00 0.00 58.87 58.64 2qsu n SER 27 Cb 0.14 0.21 -0.13 0.00 -0.26 0.00 0.00 64.21 64.17 2qsu n SER 27 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2qsu s SER 28 N -4.58 0.51 -0.00 4.04 1.04 -1.26 0.07 113.70 113.52 2qsu s SER 28 Ca -0.10 -0.33 0.04 0.00 0.48 0.00 0.00 55.95 56.04 2qsu s SER 28 Cb 0.03 0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 2qsu s SER 28 CO 0.28 -0.12 -0.11 0.54 0.98 0.00 0.00 173.24 174.81 2qsu s VAL 29 N -0.84 0.88 -0.11 5.02 0.11 -0.45 -1.20 120.40 123.81 2qsu s VAL 29 Ca -0.07 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 2qsu s VAL 29 Cb -0.06 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 34.02 2qsu s VAL 29 CO -0.00 0.19 -0.12 0.68 -3.33 0.00 0.00 175.10 172.52 2qsu s VAL 30 N -0.37 3.19 -0.08 2.04 -7.23 -0.84 -0.94 120.40 116.18 2qsu s VAL 30 Ca 0.03 -0.63 -0.17 0.00 -1.81 0.00 0.00 61.98 59.41 2qsu s VAL 30 Cb -0.05 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 2qsu s VAL 30 CO -0.00 0.54 0.44 -0.36 -0.31 0.00 0.00 175.10 175.41 2qsu s PHE 31 N 0.06 3.58 -0.36 2.82 0.40 0.52 0.11 117.98 125.11 2qsu s PHE 31 Ca -0.04 0.90 -0.07 0.00 -0.60 0.00 0.00 56.93 57.11 2qsu s PHE 31 Cb -0.14 -2.45 0.05 0.00 0.51 0.00 0.00 43.02 40.98 2qsu s PHE 31 CO 0.04 0.33 0.14 0.08 0.70 0.00 0.00 175.22 176.51 2qsu s VAL 32 N 0.05 3.92 -0.20 -0.44 1.01 -0.38 -0.76 120.40 123.60 2qsu s VAL 32 Ca 0.24 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2qsu s VAL 32 Cb -0.15 -3.26 0.04 0.00 0.00 0.00 0.00 36.38 33.01 2qsu s VAL 32 CO 0.11 -0.25 -0.10 -0.63 0.00 0.00 0.00 175.10 174.22 2qsu s ILE 33 N 1.41 1.67 0.20 2.22 1.01 -0.87 -2.89 121.20 123.95 2qsu s ILE 33 Ca -0.00 -1.04 -0.07 0.00 0.00 0.00 0.00 60.65 59.54 2qsu s ILE 33 Cb -0.20 -1.75 0.05 0.00 0.01 0.00 0.00 42.46 40.57 2qsu s ILE 33 CO 0.03 0.16 1.63 0.00 0.00 0.00 0.00 174.94 176.76 2qsu h ALA 34 N 7.96 0.84 -2.93 9.38 0.00 -1.84 -3.38 119.26 129.30 2qsu h ALA 34 Ca -0.28 -0.35 -0.64 0.00 0.00 0.00 0.00 54.91 53.65 2qsu h ALA 34 Cb 1.10 -0.18 -0.17 0.00 0.00 0.00 0.00 17.79 18.53 2qsu h ALA 34 CO 0.48 0.65 -0.52 -1.64 0.00 0.00 0.00 179.25 178.22 2qsu s MET 35 N -4.79 3.96 0.62 0.00 -1.94 -1.26 -4.52 119.30 111.36 2qsu s MET 35 Ca -0.11 -0.32 0.37 0.00 -1.71 0.00 0.00 55.69 53.93 2qsu s MET 35 Cb 0.13 -3.63 2.04 0.00 2.01 0.00 0.00 34.83 35.38 2qsu s MET 35 CO 0.85 -0.14 2.27 0.37 -0.01 0.00 0.00 175.02 178.36 2qsu h GLN 36 N 8.23 0.00 -0.03 2.03 4.15 -1.97 -0.47 115.11 127.06 2qsu h GLN 36 Ca -0.36 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 58.91 2qsu h GLN 36 Cb 1.19 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.86 2qsu h GLN 36 CO 0.57 0.02 -0.70 0.00 -1.93 0.00 0.00 178.83 176.79 2qsu h ALA 37 N 1.98 0.78 0.00 3.38 0.00 -1.96 -2.99 119.26 120.45 2qsu h ALA 37 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2qsu h ALA 37 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2qsu h ALA 37 CO 0.00 0.82 0.00 0.93 0.00 0.00 0.00 179.25 181.00 2qsu h GLU 38 N 0.09 0.00 0.02 0.00 5.08 -1.49 -3.29 114.58 114.99 2qsu h GLU 38 Ca -0.02 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.02 2qsu h GLU 38 Cb 1.24 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 2qsu h GLU 38 CO 0.10 0.00 -1.95 0.00 -1.00 0.00 0.00 179.01 176.16 2qsu n ALA 39 N -1.88 1.42 -0.22 3.43 0.00 -1.15 -4.54 120.51 117.56 2qsu n ALA 39 Ca 0.02 -0.90 -0.00 0.00 0.00 0.00 0.00 53.44 52.55 2qsu n ALA 39 Cb 0.29 -0.63 0.11 0.00 0.00 0.00 0.00 19.45 19.22 2qsu n ALA 39 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2qsu h LEU 40 N 0.01 0.41 -1.73 0.00 4.07 -1.59 -1.47 115.31 115.00 2qsu h LEU 40 Ca -0.38 0.05 -0.04 0.00 0.08 0.00 0.00 57.88 57.60 2qsu h LEU 40 Cb 2.07 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 43.79 2qsu h LEU 40 CO 0.06 0.25 -0.17 -0.65 -1.08 0.00 0.00 178.44 176.85 2qsu h PRO 41 N 0.55 0.00 0.04 1.13 0.11 -1.80 -0.58 132.00 131.45 2qsu h PRO 41 Ca 0.31 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.20 2qsu h PRO 41 Cb 0.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 2qsu h PRO 41 CO -0.24 0.17 -1.00 1.25 -0.21 0.00 0.00 178.00 177.97 2qsu h LEU 42 N 0.00 0.33 -0.10 2.35 5.85 -1.61 -2.14 115.31 119.99 2qsu h LEU 42 Ca -0.00 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.37 2qsu h LEU 42 Cb 0.40 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 2qsu h LEU 42 CO 0.02 1.14 -0.16 0.58 -0.34 0.00 0.00 178.44 179.69 2qsu h VAL 43 N 0.11 1.39 -0.26 1.05 2.07 -0.54 -2.53 116.25 117.54 2qsu h VAL 43 Ca -0.07 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.03 2qsu h VAL 43 Cb 1.67 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 33.51 2qsu h VAL 43 CO 0.16 0.40 0.13 0.78 0.02 0.00 0.00 177.57 179.05 2qsu h ASN 44 N -0.16 0.33 -0.75 0.57 2.35 -1.26 -0.95 115.58 115.71 2qsu h ASN 44 Ca 0.01 -0.12 0.17 0.00 -0.55 0.00 0.00 56.30 55.81 2qsu h ASN 44 Cb 0.72 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.96 2qsu h ASN 44 CO 0.04 0.36 0.51 0.50 -1.65 0.00 0.00 177.43 177.18 2qsu h LYS 45 N 0.29 0.26 -0.02 0.81 1.63 -1.33 -2.68 116.57 115.52 2qsu h LYS 45 Ca 0.09 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 2qsu h LYS 45 Cb 0.11 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 2qsu h LYS 45 CO -0.01 0.17 -0.03 1.19 -3.45 0.00 0.00 179.45 177.32 2qsu n PHE 46 N -4.44 0.00 -3.51 1.91 3.72 -0.96 -4.97 117.46 109.21 2qsu n PHE 46 Ca 0.15 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.32 2qsu n PHE 46 Cb 0.63 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.25 2qsu n PHE 46 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qsu n GLY 47 N 0.89 -0.47 3.81 1.37 0.00 -0.48 -4.82 105.19 105.49 2qsu n GLY 47 Ca 0.09 0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 2qsu n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qsu s LEU 48 N -6.96 3.75 -0.09 0.99 1.43 -0.48 -4.83 118.68 112.48 2qsu s LEU 48 Ca 0.55 1.81 0.04 0.00 -1.03 0.00 0.00 54.13 55.49 2qsu s LEU 48 Cb -0.24 -4.54 -0.00 0.00 0.03 0.00 0.00 46.19 41.44 2qsu s LEU 48 CO 0.67 -0.76 -0.23 -0.55 0.23 0.00 0.00 176.35 175.71 2qsu s SER 49 N -2.36 2.99 0.00 2.29 0.15 0.10 -4.81 113.70 112.07 2qsu s SER 49 Ca 0.64 -0.54 -0.30 0.00 0.70 0.00 0.00 55.95 56.46 2qsu s SER 49 Cb -0.14 -1.31 -0.08 0.00 -1.71 0.00 0.00 66.02 62.78 2qsu s SER 49 CO 0.24 0.16 1.93 -0.70 1.20 0.00 0.00 173.24 176.07 2qsu s GLU 50 N 0.31 4.08 0.24 5.44 2.12 -1.26 -1.39 118.70 128.24 2qsu s GLU 50 Ca -0.17 2.50 -0.30 0.00 0.36 0.00 0.00 54.97 57.36 2qsu s GLU 50 Cb -0.17 -4.15 -0.09 0.00 0.26 0.00 0.00 34.13 29.98 2qsu s GLU 50 CO 0.08 -1.01 1.32 0.95 -0.54 0.00 0.00 175.26 176.06 2qsu s THR 51 N 4.63 3.03 -0.14 -1.70 -4.23 -0.52 -4.95 115.64 111.76 2qsu s THR 51 Ca 0.87 0.90 0.18 0.00 -1.18 0.00 0.00 61.69 62.46 2qsu s THR 51 Cb -0.40 -3.57 -0.26 0.00 1.34 0.00 0.00 72.50 69.60 2qsu s THR 51 CO 0.39 0.16 0.18 0.35 -0.54 0.00 0.00 174.62 175.16 2qsu n THR 52 N 2.14 0.94 -1.35 3.99 -2.24 -1.26 -4.84 114.28 111.67 2qsu n THR 52 Ca 0.05 -0.72 -0.30 0.00 -2.27 0.00 0.00 64.05 60.80 2qsu n THR 52 Cb 0.42 -0.34 0.23 0.00 -2.10 0.00 0.00 70.33 68.54 2qsu n THR 52 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2qsu s ASP 53 N -5.10 1.56 -0.57 3.42 1.47 -1.26 -5.04 116.67 111.14 2qsu s ASP 53 Ca -0.09 0.50 0.04 0.00 1.18 0.00 0.00 52.55 54.18 2qsu s ASP 53 Cb 0.08 -0.66 0.15 0.00 -0.34 0.00 0.00 42.92 42.15 2qsu s ASP 53 CO 0.82 -3.72 0.37 -0.44 0.68 0.00 0.00 175.17 172.88 2qsu s SER 54 N -4.22 3.97 0.11 2.11 0.01 -1.26 -4.98 113.70 109.44 2qsu s SER 54 Ca 0.72 -3.32 -0.21 0.00 1.31 0.00 0.00 55.95 54.46 2qsu s SER 54 Cb -0.07 -1.33 -0.09 0.00 0.21 0.00 0.00 66.02 64.73 2qsu s SER 54 CO 0.55 -0.16 1.77 -0.65 0.41 0.00 0.00 173.24 175.15 2qsu h PRO 55 N 5.93 0.19 0.00 12.44 0.11 -1.96 -3.10 132.00 145.60 2qsu h PRO 55 Ca 0.09 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.05 2qsu h PRO 55 Cb 0.84 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 2qsu h PRO 55 CO 0.61 0.12 -0.66 -0.07 -0.21 0.00 0.00 178.00 177.80 2qsu h LEU 56 N 0.19 0.00 0.00 2.35 3.38 -1.93 -3.47 115.31 115.83 2qsu h LEU 56 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2qsu h LEU 56 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2qsu h LEU 56 CO -0.01 0.66 0.00 0.61 0.09 0.00 0.00 178.44 179.78 2qsu n GLY 57 N 0.42 2.98 3.75 0.83 0.00 -1.17 -4.98 105.19 107.02 2qsu n GLY 57 Ca -0.01 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 2qsu n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qsu s LYS 58 N -1.72 4.22 -0.38 1.61 -0.14 -1.26 -3.85 119.74 118.23 2qsu s LYS 58 Ca 0.00 2.40 0.00 0.00 -1.36 0.00 0.00 55.97 57.01 2qsu s LYS 58 Cb 0.00 -3.07 0.00 0.00 -1.68 0.00 0.00 37.83 33.08 2qsu s LYS 58 CO 0.00 -0.47 0.00 0.41 -0.76 0.00 0.00 175.35 174.53 2qsu n GLY 59 N 1.88 0.20 3.65 -3.33 0.00 -1.26 -5.04 105.19 101.29 2qsu n GLY 59 Ca 0.06 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.08 2qsu n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qsu s LEU 60 N -1.25 3.32 0.00 0.99 1.43 -1.25 -5.02 118.68 116.89 2qsu s LEU 60 Ca 0.00 -0.29 0.30 0.00 -1.03 0.00 0.00 54.13 53.11 2qsu s LEU 60 Cb 0.00 -2.04 1.47 0.00 0.03 0.00 0.00 46.19 45.65 2qsu s LEU 60 CO 0.00 0.15 1.98 -0.81 0.23 0.00 0.00 176.35 177.90 2qsu n PRO 61 N 0.39 1.29 -1.78 1.29 -0.04 -1.26 -4.91 135.00 129.98 2qsu n PRO 61 Ca -0.11 -0.46 -0.41 0.00 -0.04 0.00 0.00 63.50 62.48 2qsu n PRO 61 Cb 0.53 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2qsu n PRO 61 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2qsu n TRP 62 N -0.46 3.00 -4.83 0.54 8.01 -1.25 -4.13 117.44 118.32 2qsu n TRP 62 Ca 0.21 0.44 -0.33 0.00 -1.31 0.00 0.00 57.50 56.51 2qsu n TRP 62 Cb 0.23 -2.53 -0.14 0.00 -2.01 0.00 0.00 31.31 26.86 2qsu n TRP 62 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.69 176.76 2qsu s VAL 63 N -1.13 3.02 -0.09 -0.99 1.01 0.13 -4.96 120.40 117.39 2qsu s VAL 63 Ca 0.54 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.86 2qsu s VAL 63 Cb -0.47 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 33.68 2qsu s VAL 63 CO 0.63 0.55 -0.20 -0.22 0.00 0.00 0.00 175.10 175.86 2qsu s LEU 64 N -0.02 1.95 -0.09 3.92 2.96 -1.26 -0.08 118.68 126.06 2qsu s LEU 64 Ca -0.04 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.43 2qsu s LEU 64 Cb -0.14 -1.22 -0.01 0.00 0.50 0.00 0.00 46.19 45.32 2qsu s LEU 64 CO 0.04 0.13 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.71 2qsu s TYR 65 N 0.39 2.65 0.05 5.38 2.02 0.72 -1.44 117.35 127.12 2qsu s TYR 65 Ca -0.16 -0.61 0.06 0.00 -0.37 0.00 0.00 57.07 55.99 2qsu s TYR 65 Cb -0.17 -1.71 -0.02 0.00 -0.40 0.00 0.00 41.96 39.66 2qsu s TYR 65 CO 0.07 -0.15 -0.16 -1.58 -1.57 0.00 0.00 175.55 172.16 2qsu s HIS 66 N -0.04 1.37 0.00 2.71 2.46 -0.49 -0.25 115.29 121.06 2qsu s HIS 66 Ca -0.05 -0.37 -0.28 0.00 0.47 0.00 0.00 55.06 54.82 2qsu s HIS 66 Cb -0.14 -0.80 0.10 0.00 -0.13 0.00 0.00 32.58 31.61 2qsu s HIS 66 CO 0.04 0.06 1.26 0.20 -2.47 0.00 0.00 174.74 173.83 2qsu s GLY 67 N -1.27 -0.19 -0.08 1.59 0.00 -0.60 0.02 107.32 106.79 2qsu s GLY 67 Ca 0.02 0.20 0.01 0.00 0.00 0.00 0.00 44.72 44.95 2qsu s GLY 67 CO 0.02 3.59 -0.10 0.54 0.00 0.00 0.00 173.10 177.15 2qsu s VAL 68 N -2.17 1.07 -0.06 1.40 0.11 -1.26 0.47 120.40 119.97 2qsu s VAL 68 Ca 0.24 -0.39 -0.03 0.00 -2.93 0.00 0.00 61.98 58.87 2qsu s VAL 68 Cb 0.01 -1.03 -0.01 0.00 -1.53 0.00 0.00 36.38 33.82 2qsu s VAL 68 CO -0.01 0.36 -0.05 -0.74 -3.33 0.00 0.00 175.10 171.32 2qsu h HIS 69 N 7.47 0.00 0.00 1.54 2.76 -1.62 -3.49 115.15 121.81 2qsu h HIS 69 Ca -0.31 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.86 2qsu h HIS 69 Cb 1.16 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.12 2qsu h HIS 69 CO 0.48 0.00 0.00 1.63 -1.30 0.00 0.00 177.93 178.74 2qsu n LYS 70 N -3.37 0.00 -0.58 5.26 5.02 -1.26 -4.91 118.16 118.32 2qsu n LYS 70 Ca -0.02 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.34 2qsu n LYS 70 Cb 0.08 0.00 0.31 0.00 -0.02 0.00 0.00 35.03 35.40 2qsu n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2qsu n ASP 71 N 0.00 4.30 -4.05 4.39 9.92 -1.26 -4.87 116.55 124.97 2qsu n ASP 71 Ca 0.00 -2.47 -0.31 0.00 -0.53 0.00 0.00 54.79 51.48 2qsu n ASP 71 Cb 0.00 -0.56 -0.16 0.00 -0.64 0.00 0.00 41.12 39.75 2qsu n ASP 71 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2qsu s LEU 72 N -1.79 1.81 -0.05 0.64 1.43 -1.26 -4.61 118.68 114.84 2qsu s LEU 72 Ca 0.44 -0.52 -0.29 0.00 -1.03 0.00 0.00 54.13 52.72 2qsu s LEU 72 Cb 0.29 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 45.24 2qsu s LEU 72 CO 0.19 -0.03 0.96 -0.13 0.23 0.00 0.00 176.35 177.57 2qsu s ARG 73 N 1.35 4.49 -0.15 1.70 0.52 0.11 -1.55 118.95 125.42 2qsu s ARG 73 Ca 0.03 1.35 0.01 0.00 -0.52 0.00 0.00 55.73 56.60 2qsu s ARG 73 Cb -0.13 -3.50 0.00 0.00 0.52 0.00 0.00 34.95 31.84 2qsu s ARG 73 CO -0.10 -0.16 -0.17 0.42 0.02 0.00 0.00 175.30 175.32 2qsu s ILE 74 N 1.43 2.51 -0.06 1.52 1.01 0.18 -1.34 121.20 126.45 2qsu s ILE 74 Ca 0.49 -0.82 0.06 0.00 0.00 0.00 0.00 60.65 60.37 2qsu s ILE 74 Cb -0.19 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.22 2qsu s ILE 74 CO 0.23 0.52 -0.24 0.20 0.00 0.00 0.00 174.94 175.65 2qsu s ASN 75 N 0.83 3.18 -0.11 3.58 0.01 -0.11 -1.55 114.94 120.76 2qsu s ASN 75 Ca -0.05 -0.48 0.00 0.00 -0.71 0.00 0.00 52.86 51.62 2qsu s ASN 75 Cb -0.15 -0.82 0.02 0.00 0.41 0.00 0.00 41.25 40.71 2qsu s ASN 75 CO -0.01 0.26 -0.09 -0.69 -1.51 0.00 0.00 177.10 175.06 2qsu s VAL 76 N -0.24 1.12 -0.03 1.60 1.01 0.66 -0.35 120.40 124.16 2qsu s VAL 76 Ca -0.01 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 61.67 2qsu s VAL 76 Cb -0.13 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.12 2qsu s VAL 76 CO 0.03 0.38 -0.25 0.54 0.00 0.00 0.00 175.10 175.80 2qsu s VAL 77 N 1.52 2.10 -0.01 2.92 0.11 0.06 -0.20 120.40 126.90 2qsu s VAL 77 Ca 0.02 -1.08 0.04 0.00 -2.93 0.00 0.00 61.98 58.04 2qsu s VAL 77 Cb -0.13 -1.74 -0.01 0.00 -1.53 0.00 0.00 36.38 32.97 2qsu s VAL 77 CO -0.07 0.58 -0.14 0.00 -3.33 0.00 0.00 175.10 172.14 2qsu h PRO 79 N 5.84 0.00 0.00 0.00 0.13 -1.79 0.36 132.00 136.54 2qsu h PRO 79 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2qsu h PRO 79 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2qsu h PRO 79 CO 0.49 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.67 2qsu n GLY 80 N 0.10 -1.84 3.71 1.56 0.00 -1.26 -3.74 105.19 103.72 2qsu n GLY 80 Ca 0.02 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 2qsu n GLY 80 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qsu s ARG 81 N 0.00 4.50 0.11 1.61 1.70 -1.26 -1.18 118.95 124.44 2qsu s ARG 81 Ca 0.00 1.31 -0.31 0.00 -0.47 0.00 0.00 55.73 56.26 2qsu s ARG 81 Cb 0.00 -3.48 -0.08 0.00 -0.57 0.00 0.00 34.95 30.82 2qsu s ARG 81 CO 0.00 -0.09 1.47 0.34 -1.08 0.00 0.00 175.30 175.93 2qsu s ASP 82 N 1.00 6.74 0.22 -2.89 2.15 0.18 -4.84 116.67 119.22 2qsu s ASP 82 Ca 0.48 2.40 -0.09 0.00 0.43 0.00 0.00 52.55 55.78 2qsu s ASP 82 Cb -0.20 -2.58 0.23 0.00 -0.30 0.00 0.00 42.92 40.06 2qsu s ASP 82 CO 0.24 -0.73 1.85 0.00 -0.17 0.00 0.00 175.17 176.36 2qsu h ALA 83 N 7.05 0.99 -0.21 3.66 0.00 -1.95 0.78 119.26 129.60 2qsu h ALA 83 Ca -0.42 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 2qsu h ALA 83 Cb 1.20 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2qsu h ALA 83 CO 0.89 0.25 -0.60 0.00 0.00 0.00 0.00 179.25 179.80 2qsu h ALA 84 N 1.33 0.56 0.00 0.00 0.00 -1.99 -3.40 119.26 115.76 2qsu h ALA 84 Ca 0.31 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2qsu h ALA 84 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2qsu h ALA 84 CO -0.12 0.69 -0.25 1.28 0.00 0.00 0.00 179.25 180.85 2qsu n LEU 85 N -3.96 0.00 -1.31 0.00 4.77 -1.19 -5.07 117.00 110.24 2qsu n LEU 85 Ca -0.04 -0.28 -0.07 0.00 -0.03 0.00 0.00 56.01 55.59 2qsu n LEU 85 Cb 0.64 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.75 2qsu n LEU 85 CO 0.49 0.00 0.05 0.61 -1.33 0.00 0.00 177.39 177.21 2qsu n GLY 86 N 1.20 0.43 3.36 -0.72 0.00 0.26 -4.99 105.19 104.74 2qsu n GLY 86 Ca 0.00 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 2qsu n GLY 86 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qsu s ILE 87 N -2.96 0.53 0.28 -0.61 -4.36 -1.26 -4.88 121.20 107.95 2qsu s ILE 87 Ca 0.15 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.24 2qsu s ILE 87 Cb -0.06 -2.57 -0.10 0.00 1.25 0.00 0.00 42.46 40.98 2qsu s ILE 87 CO 0.18 0.00 1.12 -1.81 0.24 0.00 0.00 174.94 174.68 2qsu s ASP 88 N -3.40 7.21 -1.35 4.36 1.01 -1.26 0.50 116.67 123.74 2qsu s ASP 88 Ca 0.35 2.32 -0.16 0.00 0.71 0.00 0.00 52.55 55.76 2qsu s ASP 88 Cb 0.06 -2.63 0.07 0.00 1.01 0.00 0.00 42.92 41.43 2qsu s ASP 88 CO 0.16 -0.19 1.89 -1.20 0.21 0.00 0.00 175.17 176.04 2qsu n SER 89 N 1.18 4.60 -4.67 0.27 7.64 -0.32 -4.79 113.62 117.53 2qsu n SER 89 Ca -0.01 -2.90 -0.29 0.00 1.01 0.00 0.00 58.87 56.68 2qsu n SER 89 Cb 0.44 -1.70 0.15 0.00 -1.01 0.00 0.00 64.21 62.09 2qsu n SER 89 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2qsu s VAL 90 N 3.59 1.97 0.00 0.44 -7.23 -1.26 -4.61 120.40 113.31 2qsu s VAL 90 Ca 0.50 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.67 2qsu s VAL 90 Cb 0.07 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 34.27 2qsu s VAL 90 CO 0.02 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.42 2qsu n GLY 91 N -2.19 1.83 0.17 2.32 0.00 -1.25 -4.66 105.19 101.41 2qsu n GLY 91 Ca 0.07 -2.00 -0.03 0.00 0.00 0.00 0.00 46.02 44.06 2qsu n GLY 91 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qsu h THR 92 N 0.00 1.37 0.10 2.61 1.35 -1.82 -3.10 112.91 113.42 2qsu h THR 92 Ca 0.00 -1.87 -0.00 0.00 -0.55 0.00 0.00 66.41 63.99 2qsu h THR 92 Cb 0.00 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 2qsu h THR 92 CO 0.00 0.55 -0.05 0.58 -0.25 0.00 0.00 175.52 176.35 2qsu h VAL 93 N 0.14 1.12 -0.95 6.82 2.07 -1.89 -1.15 116.25 122.41 2qsu h VAL 93 Ca -0.00 -1.21 0.05 0.00 0.82 0.00 0.00 66.70 66.36 2qsu h VAL 93 Cb 1.02 1.84 -0.06 0.00 -1.52 0.00 0.00 31.29 32.57 2qsu h VAL 93 CO 0.08 0.28 0.61 -0.65 0.02 0.00 0.00 177.57 177.91 2qsu h PRO 94 N -0.74 1.10 -0.65 1.57 0.11 -1.83 -1.94 132.00 129.63 2qsu h PRO 94 Ca -0.01 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 66.05 2qsu h PRO 94 Cb 0.56 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.38 2qsu h PRO 94 CO 0.02 0.73 0.43 0.00 -0.21 0.00 0.00 178.00 178.97 2qsu h ALA 95 N 1.42 1.59 -0.01 -0.75 0.00 -1.56 -1.55 119.26 118.40 2qsu h ALA 95 Ca 0.40 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 55.02 2qsu h ALA 95 Cb 0.10 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.67 2qsu h ALA 95 CO -0.15 0.36 -1.00 0.66 0.00 0.00 0.00 179.25 179.11 2qsu h SER 96 N 0.82 0.80 0.02 0.00 4.64 -0.91 -1.98 113.55 116.94 2qsu h SER 96 Ca 0.25 -0.63 -0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2qsu h SER 96 Cb -0.01 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.84 2qsu h SER 96 CO -0.06 1.43 -0.01 -0.07 -0.87 0.00 0.00 176.83 177.25 2qsu h LEU 97 N 0.35 -0.02 -1.11 5.97 3.38 -1.19 -1.98 115.31 120.71 2qsu h LEU 97 Ca -0.11 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 2qsu h LEU 97 Cb 1.64 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.39 2qsu h LEU 97 CO 0.19 0.08 -0.43 0.16 0.09 0.00 0.00 178.44 178.53 2qsu h ILE 98 N -0.13 1.24 -0.38 1.22 3.07 -1.36 -1.21 117.51 119.96 2qsu h ILE 98 Ca -0.00 -1.51 -0.02 0.00 1.55 0.00 0.00 64.86 64.87 2qsu h ILE 98 Cb 0.12 1.83 -0.02 0.00 -0.27 0.00 0.00 36.82 38.48 2qsu h ILE 98 CO 0.00 0.42 0.15 0.74 -1.05 0.00 0.00 178.15 178.42 2qsu h THR 99 N 0.00 1.19 0.03 0.16 2.02 -1.17 -1.74 112.91 113.40 2qsu h THR 99 Ca -0.00 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 2qsu h THR 99 Cb 0.80 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2qsu h THR 99 CO 0.06 0.22 -0.02 0.15 0.37 0.00 0.00 175.52 176.30 2qsu h PHE 100 N 0.48 -0.04 0.11 3.16 3.57 -1.05 -1.27 116.94 121.90 2qsu h PHE 100 Ca 0.13 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2qsu h PHE 100 Cb 0.19 0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.95 2qsu h PHE 100 CO -0.00 0.20 -0.06 0.00 -2.23 0.00 0.00 178.31 176.23 2qsu h ALA 101 N 0.68 -0.15 -0.20 2.41 0.00 -1.28 -2.66 119.26 118.06 2qsu h ALA 101 Ca -0.00 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2qsu h ALA 101 Cb 0.26 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2qsu h ALA 101 CO 0.01 -0.52 -0.13 0.66 0.00 0.00 0.00 179.25 179.27 2qsu h SER 102 N -0.28 0.31 -0.14 0.00 4.64 -1.35 -1.03 113.55 115.69 2qsu h SER 102 Ca -0.02 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2qsu h SER 102 Cb 0.23 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2qsu h SER 102 CO 0.03 0.47 0.08 0.40 -0.87 0.00 0.00 176.83 176.93 2qsu h ILE 103 N 0.30 1.09 -0.29 0.95 2.04 -1.14 0.17 117.51 120.63 2qsu h ILE 103 Ca 0.06 -0.25 -0.13 0.00 1.00 0.00 0.00 64.86 65.53 2qsu h ILE 103 Cb 0.42 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 2qsu h ILE 103 CO 0.02 0.09 -0.37 1.56 0.00 0.00 0.00 178.15 179.45 2qsu h GLN 104 N 0.14 0.66 0.03 2.37 4.20 -1.28 -0.30 115.11 120.94 2qsu h GLN 104 Ca 0.05 -0.33 -0.15 0.00 0.06 0.00 0.00 58.65 58.29 2qsu h GLN 104 Cb 0.07 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.86 2qsu h GLN 104 CO -0.01 0.93 -0.60 0.00 -0.67 0.00 0.00 178.83 178.48 2qsu h ALA 105 N 1.04 0.03 0.00 3.87 0.00 -1.21 -3.40 119.26 119.59 2qsu h ALA 105 Ca 0.05 -0.59 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 2qsu h ALA 105 Cb 0.89 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2qsu h ALA 105 CO 0.08 0.32 -1.87 1.28 0.00 0.00 0.00 179.25 179.06 2qsu n LEU 106 N -4.24 0.00 -3.61 0.00 4.77 0.58 -5.02 117.00 109.49 2qsu n LEU 106 Ca -0.11 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.60 2qsu n LEU 106 Cb 0.69 0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.86 2qsu n LEU 106 CO 0.46 0.04 -0.06 0.29 -1.33 0.00 0.00 177.39 176.79 2qsu n LYS 107 N -2.18 -1.96 -1.96 3.23 5.02 -0.13 -4.95 118.16 115.23 2qsu n LYS 107 Ca -0.05 0.56 -0.33 0.00 -2.02 0.00 0.00 58.31 56.46 2qsu n LYS 107 Cb 0.53 -4.61 0.02 0.00 -0.02 0.00 0.00 35.03 30.95 2qsu n LYS 107 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2qsu s PRO 108 N -5.69 3.12 0.12 1.97 0.04 -1.26 -4.92 135.00 128.38 2qsu s PRO 108 Ca 0.39 1.32 0.02 0.00 0.04 0.00 0.00 61.00 62.78 2qsu s PRO 108 Cb -0.12 -2.00 -0.16 0.00 0.04 0.00 0.00 34.50 32.26 2qsu s PRO 108 CO 0.83 -0.99 1.27 -0.44 0.04 0.00 0.00 177.00 177.72 2qsu h ASP 109 N 0.36 0.21 -4.56 6.66 3.32 -1.52 -3.47 116.42 117.42 2qsu h ASP 109 Ca -0.47 -0.21 -0.13 0.00 0.02 0.00 0.00 57.03 56.24 2qsu h ASP 109 Cb 1.23 -0.07 -0.22 0.00 0.22 0.00 0.00 39.33 40.50 2qsu h ASP 109 CO 0.56 1.11 -0.31 -0.51 -1.72 0.00 0.00 179.24 178.37 2qsu s ILE 110 N -2.86 0.04 -0.12 0.35 2.07 -1.24 -4.17 121.20 115.26 2qsu s ILE 110 Ca -0.02 -0.30 -0.01 0.00 -1.41 0.00 0.00 60.65 58.90 2qsu s ILE 110 Cb 0.09 -0.55 -0.03 0.00 0.13 0.00 0.00 42.46 42.11 2qsu s ILE 110 CO 0.84 -0.17 -0.07 -0.63 -1.91 0.00 0.00 174.94 173.01 2qsu s ILE 111 N -0.76 3.68 -0.23 2.00 -1.09 0.61 -1.98 121.20 123.42 2qsu s ILE 111 Ca -0.08 -0.45 0.01 0.00 -2.23 0.00 0.00 60.65 57.89 2qsu s ILE 111 Cb -0.04 -2.56 0.04 0.00 -1.58 0.00 0.00 42.46 38.31 2qsu s ILE 111 CO 0.03 0.54 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.51 2qsu s ILE 112 N -0.04 2.32 -0.61 2.92 1.01 0.12 0.06 121.20 126.97 2qsu s ILE 112 Ca 0.00 -1.23 -0.23 0.00 0.00 0.00 0.00 60.65 59.19 2qsu s ILE 112 Cb -0.13 -2.18 0.06 0.00 0.01 0.00 0.00 42.46 40.22 2qsu s ILE 112 CO 0.03 0.23 0.92 0.21 0.00 0.00 0.00 174.94 176.33 2qsu s ASN 113 N 1.23 6.23 -0.08 3.58 3.04 0.06 -1.24 114.94 127.75 2qsu s ASN 113 Ca -0.02 -0.78 -0.02 0.00 0.04 0.00 0.00 52.86 52.09 2qsu s ASN 113 Cb -0.17 -2.41 -0.03 0.00 -1.54 0.00 0.00 41.25 37.10 2qsu s ASN 113 CO -0.08 -1.32 0.01 0.00 -3.04 0.00 0.00 177.10 172.67 2qsu s ALA 114 N 3.88 3.32 -0.14 1.71 0.00 -1.14 -1.20 121.76 128.19 2qsu s ALA 114 Ca 0.24 -0.81 -0.34 0.00 0.00 0.00 0.00 51.96 51.05 2qsu s ALA 114 Cb -0.16 -1.50 0.15 0.00 0.00 0.00 0.00 23.12 21.61 2qsu s ALA 114 CO 0.13 0.60 1.42 0.20 0.00 0.00 0.00 175.76 178.11 2qsu s GLY 115 N -0.94 -0.43 0.26 0.00 0.00 -1.02 -4.41 107.32 100.77 2qsu s GLY 115 Ca 0.14 1.18 -0.03 0.00 0.00 0.00 0.00 44.72 46.01 2qsu s GLY 115 CO 0.03 0.28 0.49 -0.51 0.00 0.00 0.00 173.10 173.40 2qsu s THR 116 N -2.04 5.10 0.11 0.90 -4.23 -1.26 -1.63 115.64 112.59 2qsu s THR 116 Ca 0.14 -0.14 -0.04 0.00 -1.18 0.00 0.00 61.69 60.47 2qsu s THR 116 Cb 0.06 -3.74 0.01 0.00 1.34 0.00 0.00 72.50 70.17 2qsu s THR 116 CO -0.06 -0.29 0.22 0.00 -0.54 0.00 0.00 174.62 173.95 2qsu s GLY 118 N -1.62 1.47 0.04 0.00 0.00 -0.27 -1.12 107.32 105.82 2qsu s GLY 118 Ca 0.05 -0.70 -0.05 0.00 0.00 0.00 0.00 44.72 44.02 2qsu s GLY 118 CO 0.04 -0.56 0.09 -0.32 0.00 0.00 0.00 173.10 172.36 2qsu s GLY 119 N -4.11 0.19 -0.28 0.20 0.00 -0.20 -2.23 107.32 100.89 2qsu s GLY 119 Ca 0.46 -0.61 -0.09 0.00 0.00 0.00 0.00 44.72 44.48 2qsu s GLY 119 CO 0.42 -0.75 0.12 -1.36 0.00 0.00 0.00 173.10 171.52 2qsu s PHE 120 N -2.84 3.14 0.36 1.90 0.08 -0.70 -0.75 117.98 119.18 2qsu s PHE 120 Ca -0.03 -0.40 0.08 0.00 0.12 0.00 0.00 56.93 56.69 2qsu s PHE 120 Cb 0.00 -2.30 0.70 0.00 -0.57 0.00 0.00 43.02 40.85 2qsu s PHE 120 CO -0.06 -0.37 1.88 1.57 -0.10 0.00 0.00 175.22 178.15 2qsu h LYS 121 N 8.30 0.33 0.00 0.44 2.10 -1.88 -0.33 116.57 125.52 2qsu h LYS 121 Ca -0.35 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2qsu h LYS 121 Cb 1.17 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 2qsu h LYS 121 CO 0.59 0.45 0.00 0.28 -2.00 0.00 0.00 179.45 178.77 2qsu n VAL 122 N -4.25 0.93 0.76 0.07 0.31 -1.26 -0.50 118.33 114.38 2qsu n VAL 122 Ca -0.00 0.36 0.09 0.00 -0.01 0.00 0.00 64.34 64.77 2qsu n VAL 122 Cb 0.28 -1.29 0.06 0.00 -0.91 0.00 0.00 33.84 31.98 2qsu n VAL 122 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2qsu n LYS 123 N -2.16 1.54 -0.11 5.55 4.76 -0.18 -4.98 118.16 122.58 2qsu n LYS 123 Ca 0.01 -1.44 0.00 0.00 -2.87 0.00 0.00 58.31 54.01 2qsu n LYS 123 Cb 0.17 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 2qsu n LYS 123 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qsu n GLY 124 N 1.06 0.94 3.80 0.72 0.00 0.34 -4.97 105.19 107.07 2qsu n GLY 124 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 2qsu n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qsu s ALA 125 N -2.01 3.15 0.02 4.61 0.00 -0.97 -4.99 121.76 121.58 2qsu s ALA 125 Ca 0.00 0.42 0.03 0.00 0.00 0.00 0.00 51.96 52.41 2qsu s ALA 125 Cb 0.00 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 2qsu s ALA 125 CO 0.00 0.17 -0.10 -0.80 0.00 0.00 0.00 175.76 175.04 2qsu s ASN 126 N -1.90 1.11 0.12 0.00 0.01 -1.26 -4.28 114.94 108.73 2qsu s ASN 126 Ca 0.55 -0.33 -0.35 0.00 -0.71 0.00 0.00 52.86 52.02 2qsu s ASN 126 Cb -0.14 -0.07 -0.17 0.00 0.41 0.00 0.00 41.25 41.29 2qsu s ASN 126 CO 0.18 0.00 1.15 -0.38 -1.51 0.00 0.00 177.10 176.55 2qsu n ILE 127 N 2.25 0.56 -0.16 0.60 2.08 -1.26 -0.64 119.36 122.79 2qsu n ILE 127 Ca -0.17 -0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.00 2qsu n ILE 127 Cb 0.56 -0.63 0.00 0.00 -0.75 0.00 0.00 39.64 38.82 2qsu n ILE 127 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2qsu n GLY 128 N 2.07 1.72 3.75 7.39 0.00 0.91 -5.00 105.19 116.03 2qsu n GLY 128 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2qsu n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qsu s ASP 129 N -3.25 6.41 -0.38 1.61 1.01 0.18 -4.78 116.67 117.48 2qsu s ASP 129 Ca 0.00 2.91 -0.11 0.00 0.71 0.00 0.00 52.55 56.06 2qsu s ASP 129 Cb 0.00 -2.64 0.03 0.00 1.01 0.00 0.00 42.92 41.32 2qsu s ASP 129 CO 0.00 -0.88 0.21 -0.69 0.21 0.00 0.00 175.17 174.02 2qsu s VAL 130 N -0.08 4.58 0.22 -1.27 1.01 -1.26 -1.08 120.40 122.51 2qsu s VAL 130 Ca 0.62 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 2qsu s VAL 130 Cb -0.47 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.27 2qsu s VAL 130 CO 0.48 -0.25 0.57 -0.36 0.00 0.00 0.00 175.10 175.54 2qsu s PHE 131 N 1.55 3.47 -0.20 5.22 0.40 -0.16 -4.14 117.98 124.11 2qsu s PHE 131 Ca 0.02 0.96 -0.11 0.00 -0.60 0.00 0.00 56.93 57.20 2qsu s PHE 131 Cb -0.19 -2.32 -0.05 0.00 0.51 0.00 0.00 43.02 40.97 2qsu s PHE 131 CO 0.07 0.29 0.16 -1.17 0.70 0.00 0.00 175.22 175.27 2qsu s LEU 132 N -2.61 4.19 0.03 -0.37 2.96 0.04 -0.93 118.68 121.99 2qsu s LEU 132 Ca 0.46 0.24 -0.25 0.00 -0.22 0.00 0.00 54.13 54.36 2qsu s LEU 132 Cb -0.12 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 2qsu s LEU 132 CO 0.20 0.14 0.78 -0.69 -1.32 0.00 0.00 176.35 175.46 2qsu s VAL 133 N 0.52 4.79 -0.13 1.68 1.01 -1.08 -3.13 120.40 124.06 2qsu s VAL 133 Ca 0.09 1.64 -0.24 0.00 0.00 0.00 0.00 61.98 63.47 2qsu s VAL 133 Cb -0.12 -4.12 -0.21 0.00 0.00 0.00 0.00 36.38 31.93 2qsu s VAL 133 CO 0.00 0.33 0.67 0.77 0.00 0.00 0.00 175.10 176.87 2qsu h SER 134 N 5.92 -0.01 -5.21 3.32 4.64 -1.65 -3.43 113.55 117.14 2qsu h SER 134 Ca -0.43 -0.81 -0.04 0.00 -0.47 0.00 0.00 61.79 60.04 2qsu h SER 134 Cb 1.20 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.21 2qsu h SER 134 CO 0.72 0.89 -0.06 1.51 -0.87 0.00 0.00 176.83 179.02 2qsu s ASP 135 N -6.08 -0.09 0.03 4.97 1.47 -1.26 -1.89 116.67 113.82 2qsu s ASP 135 Ca -0.16 -0.90 0.02 0.00 1.18 0.00 0.00 52.55 52.70 2qsu s ASP 135 Cb -0.02 0.61 -0.02 0.00 -0.34 0.00 0.00 42.92 43.16 2qsu s ASP 135 CO 0.58 -1.19 -0.07 -0.69 0.68 0.00 0.00 175.17 174.48 2qsu s VAL 136 N -3.96 0.48 0.26 2.11 1.01 0.10 -1.28 120.40 119.13 2qsu s VAL 136 Ca 0.21 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2qsu s VAL 136 Cb -0.02 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.80 2qsu s VAL 136 CO 0.09 -0.21 0.05 0.68 0.00 0.00 0.00 175.10 175.71 2qsu s VAL 137 N -0.94 0.87 -0.01 2.92 -7.23 -0.19 -1.09 120.40 114.72 2qsu s VAL 137 Ca -0.06 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.08 2qsu s VAL 137 Cb -0.07 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 2qsu s VAL 137 CO 0.00 -0.13 0.16 -0.36 -0.31 0.00 0.00 175.10 174.47 2qsu s PHE 138 N -3.53 3.51 -1.85 2.82 0.08 0.67 -0.69 117.98 118.99 2qsu s PHE 138 Ca 0.34 0.34 0.16 0.00 0.12 0.00 0.00 56.93 57.89 2qsu s PHE 138 Cb 0.07 -1.82 0.08 0.00 -0.57 0.00 0.00 43.02 40.78 2qsu s PHE 138 CO 0.12 0.64 0.96 -2.39 -0.10 0.00 0.00 175.22 174.45 2qsu n HIS 139 N 1.04 0.00 -1.37 0.36 1.44 0.16 -4.62 115.22 112.23 2qsu n HIS 139 Ca -0.12 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.63 2qsu n HIS 139 Cb 0.53 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.70 2qsu n HIS 139 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2qsu n ASP 140 N 0.53 1.14 -4.08 4.39 5.75 -1.26 -4.70 116.55 118.33 2qsu n ASP 140 Ca 0.09 -2.37 -0.36 0.00 -0.01 0.00 0.00 54.79 52.13 2qsu n ASP 140 Cb 0.39 -0.26 -0.06 0.00 -1.03 0.00 0.00 41.12 40.15 2qsu n ASP 140 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2qsu n ARG 141 N -0.64 2.73 -3.00 0.11 1.74 -1.26 -5.02 116.66 111.31 2qsu n ARG 141 Ca 0.07 -4.49 -0.43 0.00 -0.77 0.00 0.00 57.85 52.22 2qsu n ARG 141 Cb 0.62 -2.41 -0.05 0.00 -1.02 0.00 0.00 32.46 29.60 2qsu n ARG 141 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2qsu s ARG 142 N -1.50 3.16 -0.54 5.56 0.52 -1.26 -4.04 118.95 120.85 2qsu s ARG 142 Ca 0.28 -0.79 0.04 0.00 -0.52 0.00 0.00 55.73 54.75 2qsu s ARG 142 Cb -0.06 -4.14 0.14 0.00 0.52 0.00 0.00 34.95 31.41 2qsu s ARG 142 CO -0.11 -1.47 0.30 0.42 0.02 0.00 0.00 175.30 174.46 2qsu s ILE 143 N 3.28 2.39 -0.09 1.52 1.01 -1.26 -5.01 121.20 123.04 2qsu s ILE 143 Ca 0.20 -3.37 -0.04 0.00 0.00 0.00 0.00 60.65 57.44 2qsu s ILE 143 Cb -0.18 -2.64 -0.18 0.00 0.01 0.00 0.00 42.46 39.48 2qsu s ILE 143 CO 0.12 -0.87 2.63 -0.81 0.00 0.00 0.00 174.94 176.01 2qsu n PRO 144 N 2.95 1.47 -4.18 2.79 -0.04 -1.26 -1.89 135.00 134.84 2qsu n PRO 144 Ca 0.09 -0.77 -0.11 0.00 -0.04 0.00 0.00 63.50 62.67 2qsu n PRO 144 Cb 0.33 -1.90 -0.10 0.00 -0.04 0.00 0.00 33.50 31.79 2qsu n PRO 144 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2qsu s ILE 145 N 1.74 0.57 0.29 0.52 -4.36 -1.26 -5.01 121.20 113.69 2qsu s ILE 145 Ca 0.46 -1.93 -0.29 0.00 -0.26 0.00 0.00 60.65 58.63 2qsu s ILE 145 Cb 0.21 -1.83 -0.14 0.00 1.25 0.00 0.00 42.46 41.95 2qsu s ILE 145 CO -0.00 -0.72 1.13 -2.65 0.24 0.00 0.00 174.94 172.93 2qsu n PRO 146 N -0.09 1.59 0.00 0.37 -0.02 -1.26 -1.40 135.00 134.19 2qsu n PRO 146 Ca -0.10 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2qsu n PRO 146 Cb 0.62 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 2qsu n PRO 146 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2qsu n MET 147 N 0.89 0.00 -0.01 -0.52 2.81 -1.26 -4.48 117.12 114.55 2qsu n MET 147 Ca 0.09 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.96 2qsu n MET 147 Cb 0.32 -3.22 -0.12 0.00 -0.71 0.00 0.00 33.22 29.49 2qsu n MET 147 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2qsu n PHE 148 N -1.50 0.62 0.23 2.03 3.72 -1.02 -3.60 117.46 117.94 2qsu n PHE 148 Ca 0.00 0.21 -0.15 0.00 -0.05 0.00 0.00 57.45 57.46 2qsu n PHE 148 Cb 0.00 -1.01 -0.08 0.00 -0.94 0.00 0.00 39.48 37.45 2qsu n PHE 148 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 2qsu h ASP 149 N 0.00 -0.45 -0.71 4.37 3.04 -0.51 0.77 116.42 122.93 2qsu h ASP 149 Ca -0.26 0.00 0.06 0.00 -3.24 0.00 0.00 57.03 53.60 2qsu h ASP 149 Cb 1.74 0.12 -0.06 0.00 -1.04 0.00 0.00 39.33 40.09 2qsu h ASP 149 CO 0.04 -0.30 0.41 -0.07 -2.04 0.00 0.00 179.24 177.27 2qsu h LEU 150 N -0.55 0.61 -0.88 0.15 3.38 -1.84 -1.32 115.31 114.86 2qsu h LEU 150 Ca -0.05 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2qsu h LEU 150 Cb 0.42 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 2qsu h LEU 150 CO 0.09 0.39 0.52 0.22 0.09 0.00 0.00 178.44 179.75 2qsu h TYR 151 N 0.74 1.16 -0.38 1.13 3.20 -1.58 -0.87 116.97 120.37 2qsu h TYR 151 Ca 0.32 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.17 2qsu h TYR 151 Cb 0.19 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 2qsu h TYR 151 CO -0.07 0.78 0.17 0.78 -1.64 0.00 0.00 178.16 178.18 2qsu h GLY 152 N 1.21 0.59 1.09 1.82 0.00 -0.20 -2.90 103.07 104.67 2qsu h GLY 152 Ca 0.31 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 2qsu h GLY 152 CO -0.06 0.28 0.31 -2.08 0.00 0.00 0.00 176.54 174.99 2qsu h VAL 153 N 0.47 1.26 -5.85 4.60 2.07 -0.98 -3.41 116.25 114.40 2qsu h VAL 153 Ca 0.13 -0.81 -0.39 0.00 0.82 0.00 0.00 66.70 66.45 2qsu h VAL 153 Cb 0.14 0.33 0.12 0.00 -1.52 0.00 0.00 31.29 30.36 2qsu h VAL 153 CO -0.01 0.33 -0.73 0.61 0.02 0.00 0.00 177.57 177.78 2qsu n GLY 154 N -0.90 -0.45 3.64 2.17 0.00 -0.36 -0.24 105.19 109.05 2qsu n GLY 154 Ca 0.07 0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 2qsu n GLY 154 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qsu n LEU 155 N -4.60 3.78 -4.17 0.99 7.94 -1.26 -4.57 117.00 115.11 2qsu n LEU 155 Ca -0.12 0.67 -0.26 0.00 -1.11 0.00 0.00 56.01 55.19 2qsu n LEU 155 Cb 0.61 -1.52 -0.16 0.00 0.53 0.00 0.00 43.42 42.88 2qsu n LEU 155 CO 0.65 -0.13 -0.51 -0.13 -1.11 0.00 0.00 177.39 176.16 2qsu s ARG 156 N 5.10 1.62 0.07 1.96 1.81 -0.25 -4.98 118.95 124.28 2qsu s ARG 156 Ca 0.94 -0.65 -0.22 0.00 -1.72 0.00 0.00 55.73 54.08 2qsu s ARG 156 Cb -0.43 -1.50 -0.06 0.00 -0.45 0.00 0.00 34.95 32.51 2qsu s ARG 156 CO 0.41 0.34 0.67 -0.65 -0.68 0.00 0.00 175.30 175.39 2qsu s GLN 157 N -0.26 4.38 0.54 3.54 -1.52 -1.26 -0.72 119.66 124.36 2qsu s GLN 157 Ca 0.03 0.91 -0.18 0.00 -1.95 0.00 0.00 55.36 54.17 2qsu s GLN 157 Cb -0.09 -3.30 -0.06 0.00 -0.22 0.00 0.00 33.01 29.35 2qsu s GLN 157 CO 0.00 0.48 1.08 0.00 -0.25 0.00 0.00 175.29 176.60 2qsu s ALA 158 N -0.67 2.75 0.38 6.09 0.00 -0.79 -4.92 121.76 124.60 2qsu s ALA 158 Ca 0.33 0.62 -0.28 0.00 0.00 0.00 0.00 51.96 52.64 2qsu s ALA 158 Cb -0.20 -3.29 -0.10 0.00 0.00 0.00 0.00 23.12 19.53 2qsu s ALA 158 CO 0.21 -0.66 1.44 0.12 0.00 0.00 0.00 175.76 176.87 2qsu s PHE 159 N -2.05 2.65 -0.10 0.00 5.36 0.18 -4.90 117.98 119.12 2qsu s PHE 159 Ca 0.68 1.24 -0.30 0.00 -0.96 0.00 0.00 56.93 57.59 2qsu s PHE 159 Cb -0.19 -3.93 -0.02 0.00 -0.34 0.00 0.00 43.02 38.54 2qsu s PHE 159 CO 0.28 -2.75 1.14 0.45 -1.46 0.00 0.00 175.22 172.88 2qsu s SER 160 N -0.30 7.10 -0.45 6.13 0.15 -1.26 -4.86 113.70 120.20 2qsu s SER 160 Ca 0.54 1.67 0.09 0.00 0.70 0.00 0.00 55.95 58.95 2qsu s SER 160 Cb -0.44 -2.55 0.34 0.00 -1.71 0.00 0.00 66.02 61.65 2qsu s SER 160 CO 0.60 -0.58 0.80 0.35 1.20 0.00 0.00 173.24 175.60 2qsu n THR 161 N 4.78 1.02 -0.35 6.45 -2.24 -1.26 -4.81 114.28 117.87 2qsu n THR 161 Ca 0.11 -4.93 0.00 0.00 -2.27 0.00 0.00 64.05 56.96 2qsu n THR 161 Cb 0.47 -0.81 0.16 0.00 -2.10 0.00 0.00 70.33 68.05 2qsu n THR 161 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2qsu h PRO 162 N 3.08 1.21 -0.53 -0.78 0.13 -1.89 -1.30 132.00 131.91 2qsu h PRO 162 Ca 0.11 -0.07 -0.12 0.00 -0.87 0.00 0.00 66.00 65.05 2qsu h PRO 162 Cb 0.79 -0.27 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 2qsu h PRO 162 CO 0.62 0.80 -0.13 -0.91 -0.23 0.00 0.00 178.00 178.15 2qsu h ASN 163 N 1.24 1.03 0.72 1.44 2.35 -1.78 -1.95 115.58 118.64 2qsu h ASN 163 Ca 0.37 -0.36 -0.10 0.00 -0.55 0.00 0.00 56.30 55.66 2qsu h ASN 163 Cb -0.04 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.03 2qsu h ASN 163 CO -0.10 1.15 -0.47 0.25 -1.65 0.00 0.00 177.43 176.61 2qsu h LEU 164 N 0.90 0.00 -0.34 1.61 6.46 -1.64 -0.63 115.31 121.67 2qsu h LEU 164 Ca 0.14 0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.71 2qsu h LEU 164 Cb 0.70 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 2qsu h LEU 164 CO 0.05 0.47 -0.63 0.25 -0.62 0.00 0.00 178.44 177.97 2qsu h LEU 165 N 0.00 0.81 -0.37 2.25 5.85 -1.11 -1.88 115.31 120.86 2qsu h LEU 165 Ca -0.00 -0.47 -0.03 0.00 0.84 0.00 0.00 57.88 58.22 2qsu h LEU 165 Cb 0.96 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 2qsu h LEU 165 CO 0.06 1.24 0.13 0.11 -0.34 0.00 0.00 178.44 179.64 2qsu h LYS 166 N 0.52 0.57 -0.03 1.25 1.57 -1.08 0.32 116.57 119.69 2qsu h LYS 166 Ca -0.01 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2qsu h LYS 166 Cb 1.22 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 2qsu h LYS 166 CO 0.13 0.57 -0.03 1.49 -0.57 0.00 0.00 179.45 181.04 2qsu h GLU 167 N 0.46 0.08 0.00 3.15 4.81 -1.15 -3.34 114.58 118.59 2qsu h GLU 167 Ca 0.12 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2qsu h GLU 167 Cb 0.23 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2qsu h GLU 167 CO -0.01 0.54 -0.71 -0.07 -0.73 0.00 0.00 179.01 178.03 2qsu h LEU 168 N -0.38 0.00 -1.25 1.64 3.38 -1.42 -3.48 115.31 113.80 2qsu h LEU 168 Ca 0.01 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 2qsu h LEU 168 Cb 0.53 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.34 2qsu h LEU 168 CO 0.01 0.21 -0.76 -3.20 0.09 0.00 0.00 178.44 174.79 2qsu n ASN 169 N -2.94 -3.87 -4.82 -0.43 5.15 0.11 -4.94 115.26 103.53 2qsu n ASN 169 Ca -0.00 -0.71 -0.34 0.00 -0.60 0.00 0.00 54.58 52.93 2qsu n ASN 169 Cb 0.64 -4.39 -0.07 0.00 -0.53 0.00 0.00 39.78 35.43 2qsu n ASN 169 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2qsu s LEU 170 N -7.01 4.08 0.74 1.20 1.43 -1.25 -5.05 118.68 112.82 2qsu s LEU 170 Ca 0.38 1.60 -0.14 0.00 -1.03 0.00 0.00 54.13 54.95 2qsu s LEU 170 Cb -0.18 -4.25 0.04 0.00 0.03 0.00 0.00 46.19 41.83 2qsu s LEU 170 CO 0.79 -0.23 1.15 -0.54 0.23 0.00 0.00 176.35 177.74 2qsu s LYS 171 N -2.80 2.24 0.10 1.70 1.02 -1.26 -4.77 119.74 115.96 2qsu s LYS 171 Ca 0.56 1.52 0.06 0.00 0.02 0.00 0.00 55.97 58.14 2qsu s LYS 171 Cb -0.12 -1.87 -0.03 0.00 -0.52 0.00 0.00 37.83 35.29 2qsu s LYS 171 CO 0.17 -1.71 -0.16 0.96 -0.92 0.00 0.00 175.35 173.68 2qsu s ILE 172 N -2.32 1.38 -0.16 2.17 -5.25 -1.26 -0.78 121.20 114.97 2qsu s ILE 172 Ca 0.69 -1.49 -0.34 0.00 -0.99 0.00 0.00 60.65 58.52 2qsu s ILE 172 Cb -0.24 -1.35 0.13 0.00 2.95 0.00 0.00 42.46 43.96 2qsu s ILE 172 CO 0.47 -0.22 1.16 -0.83 -1.79 0.00 0.00 174.94 173.73 2qsu s GLY 173 N -1.97 -0.30 0.29 6.27 0.00 -1.18 -4.95 107.32 105.47 2qsu s GLY 173 Ca 0.04 1.58 -0.29 0.00 0.00 0.00 0.00 44.72 46.05 2qsu s GLY 173 CO 0.03 0.55 1.19 -1.60 0.00 0.00 0.00 173.10 173.27 2qsu s ARG 174 N -2.41 4.52 -0.11 2.90 3.52 -1.26 -1.54 118.95 124.57 2qsu s ARG 174 Ca 0.08 1.96 -0.03 0.00 -0.13 0.00 0.00 55.73 57.62 2qsu s ARG 174 Cb -0.01 -3.15 -0.03 0.00 -1.56 0.00 0.00 34.95 30.20 2qsu s ARG 174 CO -0.05 0.04 0.01 -1.17 -0.81 0.00 0.00 175.30 173.31 2qsu s LEU 175 N -1.45 3.60 -0.13 -0.88 2.96 -0.41 -0.30 118.68 122.07 2qsu s LEU 175 Ca 0.47 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.51 2qsu s LEU 175 Cb -0.35 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.51 2qsu s LEU 175 CO 0.45 0.32 -0.20 -0.55 -1.32 0.00 0.00 176.35 175.05 2qsu s SER 176 N -0.52 2.95 -0.01 3.68 0.15 0.70 -1.02 113.70 119.63 2qsu s SER 176 Ca 0.09 -0.56 0.03 0.00 0.70 0.00 0.00 55.95 56.21 2qsu s SER 176 Cb -0.12 -1.36 -0.03 0.00 -1.71 0.00 0.00 66.02 62.80 2qsu s SER 176 CO 0.02 0.06 -0.08 -0.89 1.20 0.00 0.00 173.24 173.56 2qsu s THR 177 N 0.86 3.59 0.18 6.45 2.01 0.13 -2.02 115.64 126.84 2qsu s THR 177 Ca -0.07 -0.76 -0.22 0.00 0.31 0.00 0.00 61.69 60.96 2qsu s THR 177 Cb -0.15 -2.54 0.05 0.00 0.01 0.00 0.00 72.50 69.87 2qsu s THR 177 CO -0.02 0.42 0.60 -0.83 -0.69 0.00 0.00 174.62 174.11 2qsu s GLY 178 N -1.32 -0.45 0.00 4.40 0.00 -1.04 0.39 107.32 109.31 2qsu s GLY 178 Ca 0.16 0.24 0.28 0.00 0.00 0.00 0.00 44.72 45.41 2qsu s GLY 178 CO 0.06 0.05 1.79 1.22 0.00 0.00 0.00 173.10 176.22 2qsu n ASP 179 N -0.38 1.35 -4.79 1.64 8.00 -1.26 -4.04 116.55 117.06 2qsu n ASP 179 Ca -0.14 -1.45 -0.37 0.00 0.71 0.00 0.00 54.79 53.55 2qsu n ASP 179 Cb 0.64 -0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.67 2qsu n ASP 179 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2qsu s SER 180 N -2.00 6.47 0.05 -2.24 0.01 -1.26 -4.95 113.70 109.78 2qsu s SER 180 Ca 0.39 0.55 -0.05 0.00 1.31 0.00 0.00 55.95 58.15 2qsu s SER 180 Cb 0.21 -2.15 -0.29 0.00 0.21 0.00 0.00 66.02 64.00 2qsu s SER 180 CO 0.34 0.23 1.03 0.25 0.41 0.00 0.00 173.24 175.50 2qsu h LEU 181 N 5.86 0.44 0.00 2.44 5.85 -1.96 -3.46 115.31 124.48 2qsu h LEU 181 Ca -0.47 -0.52 -0.05 0.00 0.84 0.00 0.00 57.88 57.69 2qsu h LEU 181 Cb 1.19 -0.14 0.02 0.00 0.37 0.00 0.00 40.66 42.10 2qsu h LEU 181 CO 0.68 1.41 0.03 -0.90 -0.34 0.00 0.00 178.44 179.33 2qsu n ASP 182 N -3.52 -0.59 -3.69 1.25 5.68 -1.26 -5.07 116.55 109.35 2qsu n ASP 182 Ca -0.12 -0.80 -0.27 0.00 -0.50 0.00 0.00 54.79 53.10 2qsu n ASP 182 Cb 1.04 -0.12 -0.17 0.00 -1.14 0.00 0.00 41.12 40.74 2qsu n ASP 182 CO 0.00 0.00 0.00 -0.32 -1.33 0.00 0.00 177.20 175.55 2qsu s MET 183 N -3.31 0.45 0.90 0.11 1.75 -1.26 -5.10 119.30 112.84 2qsu s MET 183 Ca 0.08 -0.33 -0.12 0.00 -1.25 0.00 0.00 55.69 54.07 2qsu s MET 183 Cb -0.01 -2.00 0.13 0.00 2.84 0.00 0.00 34.83 35.80 2qsu s MET 183 CO 0.06 -0.67 1.09 -1.54 -0.65 0.00 0.00 175.02 173.31 2qsu s SER 184 N 1.95 3.46 0.34 1.11 1.04 -1.26 -4.84 113.70 115.50 2qsu s SER 184 Ca 0.00 1.49 0.02 0.00 0.48 0.00 0.00 55.95 57.95 2qsu s SER 184 Cb -0.17 -2.17 0.60 0.00 0.10 0.00 0.00 66.02 64.38 2qsu s SER 184 CO -0.09 -2.64 1.98 0.74 0.98 0.00 0.00 173.24 174.20 2qsu h THR 185 N -1.55 1.17 -0.35 2.02 2.02 -2.00 -0.85 112.91 113.37 2qsu h THR 185 Ca -0.49 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 66.31 2qsu h THR 185 Cb 1.28 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 2qsu h THR 185 CO 0.54 0.19 0.18 -0.61 0.37 0.00 0.00 175.52 176.19 2qsu h GLN 186 N 0.83 0.35 -0.24 6.66 5.75 -2.00 0.61 115.11 127.07 2qsu h GLN 186 Ca 0.22 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.73 2qsu h GLN 186 Cb -0.01 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 2qsu h GLN 186 CO -0.04 0.23 0.05 -0.44 -2.65 0.00 0.00 178.83 175.98 2qsu h ASP 187 N 0.37 0.01 -0.78 -0.69 3.32 -1.80 -3.06 116.42 113.79 2qsu h ASP 187 Ca 0.14 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2qsu h ASP 187 Cb 0.05 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 2qsu h ASP 187 CO -0.10 0.04 0.46 -0.08 -1.72 0.00 0.00 179.24 177.84 2qsu h GLU 188 N 0.14 1.08 -0.17 3.56 4.81 -0.59 0.16 114.58 123.57 2qsu h GLU 188 Ca 0.11 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2qsu h GLU 188 Cb 0.11 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2qsu h GLU 188 CO -0.14 0.77 0.10 1.15 -0.73 0.00 0.00 179.01 180.16 2qsu h THR 189 N 1.09 1.02 -0.13 0.32 2.02 -0.82 0.45 112.91 116.87 2qsu h THR 189 Ca 0.28 -0.07 -0.21 0.00 0.77 0.00 0.00 66.41 67.18 2qsu h THR 189 Cb -0.01 0.80 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2qsu h THR 189 CO -0.05 0.04 -0.75 -0.07 0.37 0.00 0.00 175.52 175.05 2qsu h LEU 190 N 0.20 0.76 -1.26 2.58 3.38 -1.36 -1.15 115.31 118.46 2qsu h LEU 190 Ca 0.07 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 2qsu h LEU 190 Cb -0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2qsu h LEU 190 CO -0.03 1.27 0.15 0.40 0.09 0.00 0.00 178.44 180.32 2qsu h ILE 191 N 0.44 1.18 0.27 1.22 2.04 -0.50 -1.19 117.51 120.97 2qsu h ILE 191 Ca -0.04 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 2qsu h ILE 191 Cb 1.36 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2qsu h ILE 191 CO 0.15 0.23 -0.13 0.40 0.00 0.00 0.00 178.15 178.80 2qsu h ILE 192 N 0.65 0.66 -0.96 -0.67 2.04 -0.83 -2.88 117.51 115.52 2qsu h ILE 192 Ca 0.15 -0.81 0.22 0.00 1.00 0.00 0.00 64.86 65.43 2qsu h ILE 192 Cb 0.18 1.04 -0.12 0.00 -0.74 0.00 0.00 36.82 37.18 2qsu h ILE 192 CO -0.01 0.14 0.53 0.00 0.00 0.00 0.00 178.15 178.82 2qsu h ALA 193 N -0.38 1.64 -0.04 1.87 0.00 -1.15 -1.23 119.26 119.96 2qsu h ALA 193 Ca -0.04 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2qsu h ALA 193 Cb 0.51 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2qsu h ALA 193 CO 0.06 -0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.17 2qsu n ASN 194 N -4.90 1.11 -1.29 0.00 3.02 -0.46 -4.96 115.26 107.78 2qsu n ASN 194 Ca 0.24 -1.43 -0.12 0.00 -0.03 0.00 0.00 54.58 53.25 2qsu n ASN 194 Cb 0.67 -0.02 -0.01 0.00 -0.61 0.00 0.00 39.78 39.81 2qsu n ASN 194 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2qsu n ASP 195 N -0.11 -3.76 -4.75 6.41 8.00 -0.46 -4.98 116.55 116.90 2qsu n ASP 195 Ca 0.19 0.01 -0.41 0.00 0.71 0.00 0.00 54.79 55.29 2qsu n ASP 195 Cb 0.28 -2.94 -0.03 0.00 -0.02 0.00 0.00 41.12 38.40 2qsu n ASP 195 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qsu s ALA 196 N -2.57 3.46 -0.14 2.24 0.00 -1.12 -4.61 121.76 119.03 2qsu s ALA 196 Ca 0.00 1.03 0.18 0.00 0.00 0.00 0.00 51.96 53.17 2qsu s ALA 196 Cb 0.00 -3.42 -0.12 0.00 0.00 0.00 0.00 23.12 19.58 2qsu s ALA 196 CO 0.00 -0.41 0.83 2.41 0.00 0.00 0.00 175.76 178.59 2qsu n THR 197 N 1.91 1.06 -4.27 0.00 -1.04 0.59 -4.85 114.28 107.69 2qsu n THR 197 Ca 0.03 -0.67 -0.21 0.00 -2.04 0.00 0.00 64.05 61.16 2qsu n THR 197 Cb 0.44 -0.64 -0.12 0.00 -1.82 0.00 0.00 70.33 68.19 2qsu n THR 197 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2qsu s LEU 198 N -5.66 2.36 -0.07 -4.42 1.43 -0.77 -1.71 118.68 109.84 2qsu s LEU 198 Ca -0.03 -0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 52.30 2qsu s LEU 198 Cb 0.09 -0.73 0.03 0.00 0.03 0.00 0.00 46.19 45.60 2qsu s LEU 198 CO 0.81 -0.04 0.00 -0.75 0.23 0.00 0.00 176.35 176.61 2qsu s LYS 199 N -2.32 0.58 0.00 1.70 2.20 -0.94 -0.22 119.74 120.75 2qsu s LYS 199 Ca 0.08 0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.80 2qsu s LYS 199 Cb -0.08 -0.92 0.00 0.00 -1.51 0.00 0.00 37.83 35.32 2qsu s LYS 199 CO 0.04 -0.28 0.00 -0.40 -0.36 0.00 0.00 175.35 174.35 2qsu n ASP 200 N 5.03 0.65 -0.00 1.43 5.75 -0.85 -1.11 116.55 127.44 2qsu n ASP 200 Ca -0.09 -0.81 0.00 0.00 -0.01 0.00 0.00 54.79 53.88 2qsu n ASP 200 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 2qsu n ASP 200 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 2qsu n MET 201 N 0.00 1.70 0.00 0.11 2.81 -1.26 -2.50 117.12 117.98 2qsu n MET 201 Ca 0.00 -1.18 0.00 0.00 -1.81 0.00 0.00 57.70 54.71 2qsu n MET 201 Cb 0.00 -1.00 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 2qsu n MET 201 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2qsu n GLU 202 N -0.34 0.00 -0.36 0.03 4.71 -1.26 -2.56 120.64 120.86 2qsu n GLU 202 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.12 2qsu n GLU 202 Cb 0.17 -0.26 0.01 0.00 -1.01 0.00 0.00 31.44 30.35 2qsu n GLU 202 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2qsu h GLY 203 N 0.00 -0.12 2.00 0.62 0.00 -1.96 0.96 103.07 104.56 2qsu h GLY 203 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.90 2qsu h GLY 203 CO 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.38 2qsu h ALA 204 N 1.16 1.00 0.18 3.60 0.00 -1.93 0.17 119.26 123.43 2qsu h ALA 204 Ca 0.30 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.95 2qsu h ALA 204 Cb 0.56 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.37 2qsu h ALA 204 CO -0.94 0.00 -1.16 0.00 0.00 0.00 0.00 179.25 177.15 2qsu h ALA 205 N 2.00 -0.07 -0.79 0.00 0.00 -1.15 -1.77 119.26 117.48 2qsu h ALA 205 Ca 0.00 -0.83 0.15 0.00 0.00 0.00 0.00 54.91 54.23 2qsu h ALA 205 Cb 0.21 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 2qsu h ALA 205 CO 0.00 0.57 0.35 0.28 0.00 0.00 0.00 179.25 180.45 2qsu h VAL 206 N -0.18 0.67 -0.55 0.00 2.07 -1.20 -1.79 116.25 115.28 2qsu h VAL 206 Ca -0.21 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 2qsu h VAL 206 Cb 1.85 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2qsu h VAL 206 CO 0.18 0.09 -0.01 0.00 0.02 0.00 0.00 177.57 177.85 2qsu h ALA 207 N 1.55 0.94 0.22 1.67 0.00 -0.95 -1.27 119.26 121.42 2qsu h ALA 207 Ca 0.43 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2qsu h ALA 207 Cb 0.65 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2qsu h ALA 207 CO -0.39 0.64 -0.16 -0.92 0.00 0.00 0.00 179.25 178.41 2qsu h TYR 208 N 0.88 -0.42 0.10 0.00 3.20 -0.99 -1.34 116.97 118.39 2qsu h TYR 208 Ca 0.16 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 2qsu h TYR 208 Cb 0.53 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.96 2qsu h TYR 208 CO 0.03 -0.25 -0.05 0.28 -1.64 0.00 0.00 178.16 176.53 2qsu h VAL 209 N -0.39 0.92 -0.90 1.81 2.07 -1.20 -1.10 116.25 117.46 2qsu h VAL 209 Ca -0.01 -0.06 0.17 0.00 0.82 0.00 0.00 66.70 67.62 2qsu h VAL 209 Cb 0.34 0.96 -0.10 0.00 -1.52 0.00 0.00 31.29 30.97 2qsu h VAL 209 CO -0.00 0.02 0.48 0.00 0.02 0.00 0.00 177.57 178.08 2qsu h ALA 210 N 0.74 1.41 -0.12 1.67 0.00 -1.22 -0.55 119.26 121.20 2qsu h ALA 210 Ca -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2qsu h ALA 210 Cb 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2qsu h ALA 210 CO 0.02 -0.12 0.02 0.22 0.00 0.00 0.00 179.25 179.39 2qsu h ASP 211 N 0.62 0.19 -0.98 0.00 1.82 -0.92 -0.24 116.42 116.92 2qsu h ASP 211 Ca 0.51 -0.26 0.17 0.00 -0.39 0.00 0.00 57.03 57.05 2qsu h ASP 211 Cb 0.79 -0.05 -0.09 0.00 0.68 0.00 0.00 39.33 40.66 2qsu h ASP 211 CO -0.40 0.40 0.61 -0.07 -1.61 0.00 0.00 179.24 178.18 2qsu h LEU 212 N -0.04 0.76 -3.10 2.28 3.38 0.17 -1.90 115.31 116.88 2qsu h LEU 212 Ca 0.04 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2qsu h LEU 212 Cb 0.30 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2qsu h LEU 212 CO 0.00 0.33 0.00 0.18 0.09 0.00 0.00 178.44 179.05 2qsu n LEU 213 N -4.66 4.36 -4.23 1.67 4.77 -0.68 -4.98 117.00 113.25 2qsu n LEU 213 Ca 0.21 -2.42 -0.36 0.00 -0.03 0.00 0.00 56.01 53.41 2qsu n LEU 213 Cb 0.51 -0.52 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 2qsu n LEU 213 CO 0.25 0.80 -0.37 0.29 -1.33 0.00 0.00 177.39 177.03 2qsu n LYS 214 N 0.88 -0.82 -4.98 3.23 4.76 -0.55 -5.00 118.16 115.68 2qsu n LYS 214 Ca 0.23 0.10 -0.32 0.00 -2.87 0.00 0.00 58.31 55.44 2qsu n LYS 214 Cb 0.81 -3.29 -0.15 0.00 -1.84 0.00 0.00 35.03 30.56 2qsu n LYS 214 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 2qsu s ILE 215 N -4.11 2.65 0.12 -0.18 2.07 -0.21 -5.02 121.20 116.53 2qsu s ILE 215 Ca 0.15 -0.82 -0.35 0.00 -1.41 0.00 0.00 60.65 58.22 2qsu s ILE 215 Cb -0.08 -2.06 -0.16 0.00 0.13 0.00 0.00 42.46 40.28 2qsu s ILE 215 CO 0.99 0.55 1.22 -2.65 -1.91 0.00 0.00 174.94 173.14 2qsu n PRO 216 N 3.27 1.06 -5.15 3.50 -0.02 -1.26 -4.53 135.00 131.88 2qsu n PRO 216 Ca -0.18 0.38 -0.32 0.00 -2.02 0.00 0.00 63.50 61.36 2qsu n PRO 216 Cb 0.53 -1.93 -0.16 0.00 -0.02 0.00 0.00 33.50 31.91 2qsu n PRO 216 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qsu s VAL 217 N 0.10 2.24 0.24 -1.45 0.11 -1.26 -0.29 120.40 120.09 2qsu s VAL 217 Ca 0.79 -0.96 0.10 0.00 -2.93 0.00 0.00 61.98 58.98 2qsu s VAL 217 Cb -0.93 -1.87 -0.05 0.00 -1.53 0.00 0.00 36.38 32.01 2qsu s VAL 217 CO 0.50 0.56 -0.17 0.68 -3.33 0.00 0.00 175.10 173.33 2qsu s VAL 218 N 0.28 2.10 -0.05 2.04 -7.23 0.11 -0.64 120.40 117.01 2qsu s VAL 218 Ca -0.16 -2.29 0.03 0.00 -1.81 0.00 0.00 61.98 57.75 2qsu s VAL 218 Cb -0.17 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.61 2qsu s VAL 218 CO 0.08 -0.49 -0.14 -0.36 -0.31 0.00 0.00 175.10 173.88 2qsu s PHE 219 N -2.70 1.52 -0.30 2.82 0.08 -1.26 -0.76 117.98 117.37 2qsu s PHE 219 Ca 0.26 -0.47 0.03 0.00 0.12 0.00 0.00 56.93 56.87 2qsu s PHE 219 Cb -0.03 -1.05 0.08 0.00 -0.57 0.00 0.00 43.02 41.45 2qsu s PHE 219 CO 0.11 -0.19 -0.02 -0.51 -0.10 0.00 0.00 175.22 174.50 2qsu s LEU 220 N 0.26 4.16 -0.32 -0.37 1.43 -0.34 -2.63 118.68 120.86 2qsu s LEU 220 Ca -0.07 -1.80 -0.05 0.00 -1.03 0.00 0.00 54.13 51.18 2qsu s LEU 220 Cb -0.12 -1.60 0.04 0.00 0.03 0.00 0.00 46.19 44.54 2qsu s LEU 220 CO 0.02 -0.29 0.06 -0.54 0.23 0.00 0.00 176.35 175.83 2qsu s LYS 221 N 1.00 2.58 -0.19 1.70 -0.14 -0.10 -2.45 119.74 122.13 2qsu s LYS 221 Ca 0.02 -1.19 -0.20 0.00 -1.36 0.00 0.00 55.97 53.24 2qsu s LYS 221 Cb -0.19 -3.35 -0.03 0.00 -1.68 0.00 0.00 37.83 32.58 2qsu s LYS 221 CO -0.07 -0.63 0.58 0.00 -0.76 0.00 0.00 175.35 174.47 2qsu s ALA 222 N 1.35 3.54 -0.31 5.17 0.00 -0.65 -0.99 121.76 129.88 2qsu s ALA 222 Ca -0.03 -0.32 -0.23 0.00 0.00 0.00 0.00 51.96 51.38 2qsu s ALA 222 Cb -0.19 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.03 2qsu s ALA 222 CO 0.01 -0.49 0.78 0.14 0.00 0.00 0.00 175.76 176.21 2qsu s VAL 223 N 1.75 4.80 -0.09 0.00 -7.23 -0.24 0.69 120.40 120.08 2qsu s VAL 223 Ca 0.27 1.16 0.21 0.00 -1.81 0.00 0.00 61.98 61.81 2qsu s VAL 223 Cb -0.16 -4.14 -0.29 0.00 0.56 0.00 0.00 36.38 32.35 2qsu s VAL 223 CO 0.10 -0.25 0.42 0.35 -0.31 0.00 0.00 175.10 175.41 2qsu n THR 224 N 5.54 0.43 -3.69 5.32 -2.24 -0.28 -0.06 114.28 119.30 2qsu n THR 224 Ca 0.03 -0.60 -0.10 0.00 -2.27 0.00 0.00 64.05 61.11 2qsu n THR 224 Cb 0.48 -0.17 -0.05 0.00 -2.10 0.00 0.00 70.33 68.49 2qsu n THR 224 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2qsu s ASP 225 N -4.86 -0.16 -0.34 3.42 -4.77 -1.24 -4.89 116.67 103.83 2qsu s ASP 225 Ca -0.08 -0.40 -0.04 0.00 -3.30 0.00 0.00 52.55 48.72 2qsu s ASP 225 Cb 0.12 0.45 0.06 0.00 -1.09 0.00 0.00 42.92 42.45 2qsu s ASP 225 CO 0.88 -0.84 0.09 -0.76 0.70 0.00 0.00 175.17 175.24 2qsu s LEU 226 N -2.82 4.35 0.35 2.11 1.43 -1.26 -1.04 118.68 121.80 2qsu s LEU 226 Ca 0.04 -1.34 0.09 0.00 -1.03 0.00 0.00 54.13 51.89 2qsu s LEU 226 Cb 0.02 -1.81 0.83 0.00 0.03 0.00 0.00 46.19 45.26 2qsu s LEU 226 CO -0.11 -0.35 1.84 0.58 0.23 0.00 0.00 176.35 178.54 2qsu h VAL 227 N 6.31 0.78 -0.59 -1.59 2.07 -1.31 0.41 116.25 122.33 2qsu h VAL 227 Ca -0.21 -0.23 -0.22 0.00 0.82 0.00 0.00 66.70 66.85 2qsu h VAL 227 Cb 1.07 0.04 -0.13 0.00 -1.52 0.00 0.00 31.29 30.75 2qsu h VAL 227 CO 0.60 0.12 0.19 -0.90 0.02 0.00 0.00 177.57 177.61 2qsu n ASP 228 N -4.60 3.78 -4.79 0.57 5.75 -1.26 -4.99 116.55 111.01 2qsu n ASP 228 Ca 0.19 -3.42 -0.34 0.00 -0.01 0.00 0.00 54.79 51.21 2qsu n ASP 228 Cb 0.53 -0.70 -0.07 0.00 -1.03 0.00 0.00 41.12 39.86 2qsu n ASP 228 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2qsu s GLY 229 N -1.69 3.10 0.54 6.12 0.00 0.13 -4.83 107.32 110.69 2qsu s GLY 229 Ca 0.50 -0.07 -0.19 0.00 0.00 0.00 0.00 44.72 44.96 2qsu s GLY 229 CO 0.08 -2.21 1.09 -0.35 0.00 0.00 0.00 173.10 171.71 2qsu s ASP 230 N -3.92 5.90 0.41 1.64 -1.08 -1.26 -4.91 116.67 113.45 2qsu s ASP 230 Ca 0.02 2.05 -0.25 0.00 -0.52 0.00 0.00 52.55 53.84 2qsu s ASP 230 Cb 0.00 -2.57 -0.08 0.00 -1.46 0.00 0.00 42.92 38.81 2qsu s ASP 230 CO 0.01 -1.09 1.25 -0.54 0.52 0.00 0.00 175.17 175.32 2qsu s LYS 231 N -3.39 3.94 0.54 4.34 -0.14 -1.26 -4.88 119.74 118.90 2qsu s LYS 231 Ca 0.70 2.03 -0.20 0.00 -1.36 0.00 0.00 55.97 57.14 2qsu s LYS 231 Cb -0.20 -2.69 -0.05 0.00 -1.68 0.00 0.00 37.83 33.21 2qsu s LYS 231 CO 0.26 -0.47 1.20 -1.25 -0.76 0.00 0.00 175.35 174.33 2qsu s PRO 232 N -2.31 3.29 1.24 -1.68 0.04 -1.26 -5.03 135.00 129.29 2qsu s PRO 232 Ca 0.58 1.82 -0.21 0.00 0.04 0.00 0.00 61.00 63.23 2qsu s PRO 232 Cb -0.35 -2.11 0.31 0.00 0.04 0.00 0.00 34.50 32.39 2qsu s PRO 232 CO 0.45 -0.95 1.07 0.25 0.04 0.00 0.00 177.00 177.85 2qsu n THR 233 N -1.16 0.00 0.18 1.26 -2.24 -1.26 -4.77 114.28 106.28 2qsu n THR 233 Ca 0.11 -0.44 -0.16 0.00 -2.27 0.00 0.00 64.05 61.30 2qsu n THR 233 Cb 0.49 -1.22 -0.08 0.00 -2.10 0.00 0.00 70.33 67.42 2qsu n THR 233 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qsu h ALA 234 N -2.82 -0.87 -0.05 6.98 0.00 -2.03 -2.85 119.26 117.62 2qsu h ALA 234 Ca -0.41 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.28 2qsu h ALA 234 Cb 1.25 0.70 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 2qsu h ALA 234 CO 0.26 -1.05 -0.47 1.49 0.00 0.00 0.00 179.25 179.49 2qsu h GLU 235 N -0.76 0.12 0.00 0.00 4.57 -2.00 -3.32 114.58 113.19 2qsu h GLU 235 Ca -0.01 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2qsu h GLU 235 Cb 0.74 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 2qsu h GLU 235 CO -0.18 0.57 0.00 0.39 -1.18 0.00 0.00 179.01 178.61 2qsu n GLU 236 N -3.97 0.00 0.10 1.92 1.02 -1.08 -1.51 120.64 117.11 2qsu n GLU 236 Ca -0.02 0.63 0.11 0.00 -0.02 0.00 0.00 57.16 57.86 2qsu n GLU 236 Cb 0.51 -1.47 0.44 0.00 -0.02 0.00 0.00 31.44 30.90 2qsu n GLU 236 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2qsu n PHE 237 N -2.22 0.60 -0.05 -0.32 -0.00 -1.23 0.51 117.46 114.76 2qsu n PHE 237 Ca 0.00 0.24 -0.09 0.00 -0.00 0.00 0.00 57.45 57.60 2qsu n PHE 237 Cb 0.00 -0.89 -0.03 0.00 -0.00 0.00 0.00 39.48 38.57 2qsu n PHE 237 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 2qsu h LEU 238 N 0.00 0.20 0.00 -2.13 5.85 -1.58 -3.18 115.31 114.48 2qsu h LEU 238 Ca 0.00 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.55 2qsu h LEU 238 Cb 0.32 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2qsu h LEU 238 CO 0.00 0.15 -1.25 1.56 -0.34 0.00 0.00 178.44 178.56 2qsu h GLN 239 N 0.26 0.00 -0.56 1.25 1.08 -0.29 -3.43 115.11 113.42 2qsu h GLN 239 Ca 0.09 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.39 2qsu h GLN 239 Cb -0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.35 2qsu h GLN 239 CO -0.04 0.41 0.13 -0.97 -0.95 0.00 0.00 178.83 177.40 2qsu h ASN 240 N 0.00 0.02 0.28 1.46 -1.24 0.09 -1.14 115.58 115.05 2qsu h ASN 240 Ca -0.14 0.10 -0.01 0.00 0.71 0.00 0.00 56.30 56.96 2qsu h ASN 240 Cb 1.62 0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.80 2qsu h ASN 240 CO 0.06 0.03 -0.13 0.25 -1.29 0.00 0.00 177.43 176.34 2qsu h LEU 241 N 0.27 -0.32 -0.67 0.34 5.85 -1.84 -0.28 115.31 118.66 2qsu h LEU 241 Ca 0.29 -0.17 0.14 0.00 0.84 0.00 0.00 57.88 58.98 2qsu h LEU 241 Cb 0.41 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.42 2qsu h LEU 241 CO -0.37 0.01 0.12 0.74 -0.34 0.00 0.00 178.44 178.60 2qsu h THR 242 N -0.67 0.55 -0.34 1.05 2.02 -1.81 0.33 112.91 114.04 2qsu h THR 242 Ca -0.04 -0.08 -0.16 0.00 0.77 0.00 0.00 66.41 66.90 2qsu h THR 242 Cb 0.47 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2qsu h THR 242 CO 0.06 0.04 -0.40 0.58 0.37 0.00 0.00 175.52 176.17 2qsu h VAL 243 N 0.23 1.28 -0.03 3.16 2.07 -1.16 -2.35 116.25 119.45 2qsu h VAL 243 Ca 0.36 -1.58 -0.14 0.00 0.82 0.00 0.00 66.70 66.16 2qsu h VAL 243 Cb 0.59 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2qsu h VAL 243 CO -0.48 0.52 -0.64 0.58 0.02 0.00 0.00 177.57 177.57 2qsu h VAL 244 N 0.67 1.43 0.00 2.57 2.07 -0.55 -2.17 116.25 120.27 2qsu h VAL 244 Ca 0.05 -2.12 -0.14 0.00 0.82 0.00 0.00 66.70 65.31 2qsu h VAL 244 Cb 1.00 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 2qsu h VAL 244 CO 0.10 0.62 -0.65 0.74 0.02 0.00 0.00 177.57 178.39 2qsu h THR 245 N 0.08 1.36 -0.21 2.57 2.02 -0.95 -1.09 112.91 116.68 2qsu h THR 245 Ca -0.01 -2.31 -0.17 0.00 0.77 0.00 0.00 66.41 64.69 2qsu h THR 245 Cb 1.14 2.28 0.00 0.00 -1.74 0.00 0.00 68.15 69.84 2qsu h THR 245 CO 0.09 0.64 -0.53 0.00 0.37 0.00 0.00 175.52 176.09 2qsu h ALA 246 N 1.35 0.35 -0.89 6.16 0.00 -1.31 -1.21 119.26 123.71 2qsu h ALA 246 Ca -0.01 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.43 2qsu h ALA 246 Cb 1.23 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 2qsu h ALA 246 CO 0.08 0.55 0.58 0.00 0.00 0.00 0.00 179.25 180.46 2qsu h ALA 247 N 0.61 1.17 -0.20 0.00 0.00 -1.21 -0.61 119.26 119.02 2qsu h ALA 247 Ca -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2qsu h ALA 247 Cb 1.14 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2qsu h ALA 247 CO 0.11 0.44 0.02 1.25 0.00 0.00 0.00 179.25 181.07 2qsu h LEU 248 N 1.13 0.33 -0.87 0.00 5.85 -1.07 -2.61 115.31 118.07 2qsu h LEU 248 Ca 0.35 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.80 2qsu h LEU 248 Cb -0.01 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 2qsu h LEU 248 CO -0.11 0.53 0.57 -0.08 -0.34 0.00 0.00 178.44 179.01 2qsu h GLU 249 N 0.11 1.13 -0.96 1.25 4.22 -0.95 -1.17 114.58 118.20 2qsu h GLU 249 Ca 0.06 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2qsu h GLU 249 Cb 0.35 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 2qsu h GLU 249 CO 0.01 0.75 0.61 0.78 -2.18 0.00 0.00 179.01 178.98 2qsu h GLY 250 N 1.16 1.37 1.53 1.92 0.00 -1.02 0.34 103.07 108.39 2qsu h GLY 250 Ca 0.32 -0.54 -0.19 0.00 0.00 0.00 0.00 47.33 46.92 2qsu h GLY 250 CO -0.08 0.53 -0.73 -0.84 0.00 0.00 0.00 176.54 175.42 2qsu h THR 251 N 1.32 1.36 -0.32 4.70 2.02 -1.21 -3.03 112.91 117.76 2qsu h THR 251 Ca 0.35 -2.11 -0.11 0.00 0.77 0.00 0.00 66.41 65.31 2qsu h THR 251 Cb -0.11 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 2qsu h THR 251 CO -0.07 0.64 -0.24 0.00 0.37 0.00 0.00 175.52 176.22 2qsu h ALA 252 N 0.88 0.99 -0.24 6.16 0.00 -0.63 -1.44 119.26 124.98 2qsu h ALA 252 Ca -0.03 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.53 2qsu h ALA 252 Cb 1.32 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2qsu h ALA 252 CO 0.13 0.60 0.13 1.15 0.00 0.00 0.00 179.25 181.25 2qsu h THR 253 N 0.54 1.00 -0.29 0.00 2.02 -0.94 -1.95 112.91 113.29 2qsu h THR 253 Ca 0.08 -0.09 -0.11 0.00 0.77 0.00 0.00 66.41 67.06 2qsu h THR 253 Cb 0.70 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2qsu h THR 253 CO 0.05 0.05 -0.26 0.11 0.37 0.00 0.00 175.52 175.84 2qsu h LYS 254 N 0.26 0.58 0.03 6.66 1.57 -1.39 -1.60 116.57 122.69 2qsu h LYS 254 Ca 0.10 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2qsu h LYS 254 Cb 0.02 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 2qsu h LYS 254 CO -0.06 0.79 -0.02 0.28 -0.57 0.00 0.00 179.45 179.87 2qsu h VAL 255 N 0.51 0.95 0.11 0.50 2.07 -1.19 -1.49 116.25 117.71 2qsu h VAL 255 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 2qsu h VAL 255 Cb 0.72 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2qsu h VAL 255 CO 0.06 0.00 -0.09 0.40 0.02 0.00 0.00 177.57 177.95 2qsu h ILE 256 N -0.06 0.79 -0.89 4.57 2.04 -0.99 0.28 117.51 123.25 2qsu h ILE 256 Ca -0.00 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.00 2qsu h ILE 256 Cb 0.05 0.79 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 2qsu h ILE 256 CO -0.00 0.00 0.57 0.78 0.00 0.00 0.00 178.15 179.50 2qsu h ASN 257 N -0.22 0.67 0.18 1.72 2.35 -1.32 -0.77 115.58 118.19 2qsu h ASN 257 Ca -0.00 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2qsu h ASN 257 Cb 0.20 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2qsu h ASN 257 CO -0.02 0.34 -0.08 0.15 -1.65 0.00 0.00 177.43 176.17 2qsu h PHE 258 N 0.71 -0.22 -0.67 1.19 3.57 -0.60 -3.22 116.94 117.69 2qsu h PHE 258 Ca 0.45 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 62.08 2qsu h PHE 258 Cb 0.70 0.07 -0.10 0.00 2.79 0.00 0.00 35.95 39.41 2qsu h PHE 258 CO -0.00 0.16 0.15 0.82 -2.23 0.00 0.00 178.31 177.21 2qsu h ILE 259 N -0.66 0.57 -1.20 1.41 2.04 -0.75 -3.42 117.51 115.50 2qsu h ILE 259 Ca -0.02 -0.09 -0.80 0.00 1.00 0.00 0.00 64.86 64.94 2qsu h ILE 259 Cb 0.48 0.29 0.03 0.00 -0.74 0.00 0.00 36.82 36.87 2qsu h ILE 259 CO 0.04 0.05 0.57 -3.20 0.00 0.00 0.00 178.15 175.61 2qsu n ASN 260 N -5.15 1.25 0.00 1.72 5.15 -0.31 -0.45 115.26 117.48 2qsu n ASN 260 Ca 0.12 1.15 0.00 0.00 -0.60 0.00 0.00 54.58 55.24 2qsu n ASN 260 Cb 0.39 -0.99 0.00 0.00 -0.53 0.00 0.00 39.78 38.65 2qsu n ASN 260 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qsu n GLY 261 N 3.30 1.58 3.85 8.20 0.00 -1.26 -5.01 105.19 115.86 2qsu n GLY 261 Ca 0.26 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 2qsu n GLY 261 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qsu s ARG 262 N -0.16 3.10 0.44 1.61 0.52 0.41 -4.88 118.95 119.99 2qsu s ARG 262 Ca 0.00 -0.78 -0.10 0.00 -0.52 0.00 0.00 55.73 54.33 2qsu s ARG 262 Cb 0.00 -2.76 -0.06 0.00 0.52 0.00 0.00 34.95 32.65 2qsu s ARG 262 CO 0.00 0.49 0.81 -0.80 0.02 0.00 0.00 175.30 175.82 2qsu s ASN 263 N -3.19 6.49 0.35 0.23 -0.87 -1.26 -1.63 114.94 115.06 2qsu s ASN 263 Ca 0.32 1.17 0.09 0.00 -1.57 0.00 0.00 52.86 52.87 2qsu s ASN 263 Cb -0.10 -2.34 0.81 0.00 -0.02 0.00 0.00 41.25 39.60 2qsu s ASN 263 CO 0.25 -0.46 1.85 -0.07 -2.57 0.00 0.00 177.10 176.10 2qsu h LEU 264 N 1.01 0.67 -0.34 0.60 3.38 -1.96 0.22 115.31 118.90 2qsu h LEU 264 Ca -0.47 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2qsu h LEU 264 Cb 1.19 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2qsu h LEU 264 CO 0.63 0.32 0.00 -1.54 0.09 0.00 0.00 178.44 177.94 2qsu n SER 265 N -4.59 0.36 -1.24 -0.43 3.41 -1.26 -2.90 113.62 106.97 2qsu n SER 265 Ca 0.19 0.58 0.11 0.00 -0.26 0.00 0.00 58.87 59.49 2qsu n SER 265 Cb 0.50 -0.66 0.30 0.00 -0.26 0.00 0.00 64.21 64.08 2qsu n SER 265 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2qsu n ASP 266 N -1.89 3.80 -0.44 4.04 8.00 0.78 -5.08 116.55 125.75 2qsu n ASP 266 Ca 0.03 -2.00 0.14 0.00 0.71 0.00 0.00 54.79 53.67 2qsu n ASP 266 Cb 0.22 -0.45 0.56 0.00 -0.02 0.00 0.00 41.12 41.43 2qsu n ASP 266 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70