#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ups n LYS 18 N 0.00 1.44 -2.02 0.00 5.02 -1.26 -4.90 118.16 116.44 1ups n LYS 18 Ca 0.00 -1.11 -0.38 0.00 -2.02 0.00 0.00 58.31 54.80 1ups n LYS 18 Cb 0.00 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.54 1ups n LYS 18 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ups s ASP 19 N -2.33 5.89 0.08 4.39 1.01 -1.26 -4.81 116.67 119.65 1ups s ASP 19 Ca 0.24 2.58 -0.30 0.00 0.71 0.00 0.00 52.55 55.78 1ups s ASP 19 Cb 0.19 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.44 1ups s ASP 19 CO 0.48 -1.13 1.09 0.12 0.21 0.00 0.00 175.17 175.93 1ups s PHE 20 N -1.37 3.58 0.40 4.23 2.19 -0.14 -4.96 117.98 121.92 1ups s PHE 20 Ca 0.64 1.54 -0.27 0.00 0.33 0.00 0.00 56.93 59.17 1ups s PHE 20 Cb -0.36 -3.26 -0.10 0.00 -1.31 0.00 0.00 43.02 37.99 1ups s PHE 20 CO 0.44 -0.59 1.48 -1.25 1.83 0.00 0.00 175.22 177.12 1ups s PRO 21 N 0.52 3.98 0.30 10.12 0.04 -1.26 -4.76 135.00 143.94 1ups s PRO 21 Ca 0.53 2.54 -0.29 0.00 0.04 0.00 0.00 61.00 63.82 1ups s PRO 21 Cb -0.27 -2.88 -0.13 0.00 0.04 0.00 0.00 34.50 31.27 1ups s PRO 21 CO 0.31 -0.62 1.37 0.00 0.04 0.00 0.00 177.00 178.10 1ups n ALA 22 N 0.27 1.40 -1.25 8.56 0.00 -1.26 -4.99 120.51 123.24 1ups n ALA 22 Ca 0.02 0.38 -0.32 0.00 0.00 0.00 0.00 53.44 53.53 1ups n ALA 22 Cb 0.40 -2.29 0.09 0.00 0.00 0.00 0.00 19.45 17.65 1ups n ALA 22 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ups s ASN 23 N 0.01 4.42 0.65 0.00 0.01 -1.26 -5.03 114.94 113.74 1ups s ASN 23 Ca 0.61 1.93 -0.15 0.00 -0.71 0.00 0.00 52.86 54.54 1ups s ASN 23 Cb -0.59 -2.54 -0.00 0.00 0.41 0.00 0.00 41.25 38.53 1ups s ASN 23 CO 0.56 -2.10 1.11 -2.16 -1.51 0.00 0.00 177.10 173.01 1ups s PRO 24 N -4.65 2.83 0.21 -0.60 0.04 -1.26 -4.96 135.00 126.61 1ups s PRO 24 Ca 0.64 1.41 -0.04 0.00 0.04 0.00 0.00 61.00 63.05 1ups s PRO 24 Cb -0.19 -1.95 0.19 0.00 0.04 0.00 0.00 34.50 32.59 1ups s PRO 24 CO 0.53 -1.23 1.62 0.82 0.04 0.00 0.00 177.00 178.77 1ups h ILE 25 N 0.11 1.27 -3.34 0.56 2.04 -2.06 -3.41 117.51 112.67 1ups h ILE 25 Ca -0.47 -1.37 -0.57 0.00 1.00 0.00 0.00 64.86 63.45 1ups h ILE 25 Cb 1.25 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 38.53 1ups h ILE 25 CO 0.54 0.45 -0.05 -1.61 0.00 0.00 0.00 178.15 177.48 1ups s GLU 26 N -4.54 4.37 -0.20 2.37 2.02 -1.26 -4.84 118.70 116.62 1ups s GLU 26 Ca -0.09 0.60 -0.02 0.00 0.02 0.00 0.00 54.97 55.49 1ups s GLU 26 Cb 0.13 -3.45 0.00 0.00 0.10 0.00 0.00 34.13 30.92 1ups s GLU 26 CO 0.83 0.11 -0.11 0.21 0.02 0.00 0.00 175.26 176.33 1ups s LYS 27 N 0.73 3.22 0.11 1.61 2.20 -1.26 -5.09 119.74 121.26 1ups s LYS 27 Ca 0.30 -0.71 -0.34 0.00 -0.36 0.00 0.00 55.97 54.86 1ups s LYS 27 Cb -0.16 -2.82 -0.14 0.00 -1.51 0.00 0.00 37.83 33.21 1ups s LYS 27 CO 0.13 -0.19 1.63 0.00 -0.36 0.00 0.00 175.35 176.56 1ups n ALA 28 N 4.68 1.18 -0.64 3.13 0.00 -1.26 -1.46 120.51 126.13 1ups n ALA 28 Ca -0.19 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1ups n ALA 28 Cb 0.51 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1ups n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ups n GLY 29 N 3.58 0.80 3.27 0.00 0.00 -1.26 -5.03 105.19 106.54 1ups n GLY 29 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 1ups n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ups s TYR 30 N -3.08 1.32 -0.07 1.61 1.51 -0.54 -0.98 117.35 117.13 1ups s TYR 30 Ca 0.00 -0.87 0.05 0.00 -1.01 0.00 0.00 57.07 55.24 1ups s TYR 30 Cb 0.00 -0.73 -0.01 0.00 -0.11 0.00 0.00 41.96 41.11 1ups s TYR 30 CO 0.00 -0.03 -0.23 -1.59 -1.11 0.00 0.00 175.55 172.59 1ups s LYS 31 N -3.82 2.69 -0.02 -0.62 0.00 0.37 -4.57 119.74 113.76 1ups s LYS 31 Ca 0.22 -0.87 -0.30 0.00 0.00 0.00 0.00 55.97 55.01 1ups s LYS 31 Cb 0.04 -2.23 -0.05 0.00 0.00 0.00 0.00 37.83 35.59 1ups s LYS 31 CO 0.03 0.35 1.41 -1.17 0.00 0.00 0.00 175.35 175.98 1ups s LEU 32 N -0.09 4.31 -0.13 2.77 2.96 -1.26 -0.80 118.68 126.43 1ups s LEU 32 Ca -0.05 2.09 0.14 0.00 -0.22 0.00 0.00 54.13 56.08 1ups s LEU 32 Cb -0.14 -3.56 -0.20 0.00 0.50 0.00 0.00 46.19 42.79 1ups s LEU 32 CO 0.04 -0.74 0.10 -0.67 -1.32 0.00 0.00 176.35 173.77 1ups n ASP 33 N 5.62 1.19 -3.70 3.68 2.03 0.74 -4.92 116.55 121.19 1ups n ASP 33 Ca 0.13 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.31 1ups n ASP 33 Cb 0.44 1.02 -0.09 0.00 -0.72 0.00 0.00 41.12 41.77 1ups n ASP 33 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1ups s PHE 34 N -2.50 -0.56 -0.05 -0.67 2.19 -0.95 -4.99 117.98 110.44 1ups s PHE 34 Ca -0.07 1.36 -0.18 0.00 0.33 0.00 0.00 56.93 58.36 1ups s PHE 34 Cb 0.06 0.20 0.04 0.00 -1.31 0.00 0.00 43.02 42.00 1ups s PHE 34 CO 0.64 -0.27 0.41 -1.54 1.83 0.00 0.00 175.22 176.28 1ups s SER 35 N 0.35 -0.33 -0.12 6.13 1.04 -1.26 -0.62 113.70 118.87 1ups s SER 35 Ca -0.01 0.37 -0.02 0.00 0.48 0.00 0.00 55.95 56.78 1ups s SER 35 Cb -0.04 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.60 1ups s SER 35 CO -0.00 -0.42 0.00 -0.62 0.98 0.00 0.00 173.24 173.18 1ups s ASP 36 N -0.98 2.20 0.00 7.02 3.68 -0.02 -5.01 116.67 123.56 1ups s ASP 36 Ca -0.10 -0.40 0.28 0.00 2.13 0.00 0.00 52.55 54.45 1ups s ASP 36 Cb -0.04 -0.57 1.36 0.00 -1.45 0.00 0.00 42.92 42.22 1ups s ASP 36 CO 0.05 -0.22 1.91 -0.62 0.13 0.00 0.00 175.17 176.41 1ups n GLU 37 N 5.07 1.36 -4.08 4.34 -0.58 -1.26 -1.18 120.64 124.30 1ups n GLU 37 Ca -0.09 -0.52 -0.32 0.00 -0.42 0.00 0.00 57.16 55.81 1ups n GLU 37 Cb 0.49 -1.46 -0.02 0.00 -0.57 0.00 0.00 31.44 29.88 1ups n GLU 37 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1ups n PHE 38 N -0.35 -1.79 0.35 -0.32 0.99 -1.26 -4.56 117.46 110.53 1ups n PHE 38 Ca 0.20 0.80 0.12 0.00 -0.00 0.00 0.00 57.45 58.57 1ups n PHE 38 Cb 0.23 -3.38 0.18 0.00 -1.00 0.00 0.00 39.48 35.52 1ups n PHE 38 CO 0.00 0.00 0.00 -2.95 -0.00 0.00 0.00 176.76 173.81 1ups h ASN 39 N -1.70 0.00 -2.62 4.37 -0.00 -1.87 -3.17 115.58 110.59 1ups h ASN 39 Ca -0.60 -0.04 0.00 0.00 -0.00 0.00 0.00 56.30 55.66 1ups h ASN 39 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.70 1ups h ASN 39 CO 0.71 0.02 0.00 0.61 -0.00 0.00 0.00 177.43 178.77 1ups n GLY 40 N 1.21 -1.56 0.49 9.14 0.00 -1.26 -4.65 105.19 108.56 1ups n GLY 40 Ca 0.03 -1.24 0.11 0.00 0.00 0.00 0.00 46.02 44.92 1ups n GLY 40 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ups n PRO 41 N -0.78 1.65 -4.45 1.61 -0.04 -1.26 -5.05 135.00 126.68 1ups n PRO 41 Ca 0.00 -0.97 -0.27 0.00 -0.04 0.00 0.00 63.50 62.22 1ups n PRO 41 Cb 0.00 -1.39 -0.13 0.00 -0.04 0.00 0.00 33.50 31.94 1ups n PRO 41 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ups s THR 42 N -1.82 2.05 0.23 0.52 -4.23 -1.26 -4.73 115.64 106.40 1ups s THR 42 Ca 0.32 -1.61 -0.30 0.00 -1.18 0.00 0.00 61.69 58.92 1ups s THR 42 Cb 0.17 -1.81 -0.09 0.00 1.34 0.00 0.00 72.50 72.10 1ups s THR 42 CO 0.26 0.09 1.32 -0.22 -0.54 0.00 0.00 174.62 175.54 1ups s LEU 43 N -1.85 4.42 -0.54 4.79 2.96 -1.26 -4.94 118.68 122.26 1ups s LEU 43 Ca 0.11 2.47 -0.28 0.00 -0.22 0.00 0.00 54.13 56.21 1ups s LEU 43 Cb -0.10 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 42.99 1ups s LEU 43 CO 0.05 -0.54 1.39 -0.62 -1.32 0.00 0.00 176.35 175.31 1ups s ASP 44 N 0.20 6.18 0.00 3.68 -1.08 -1.26 -4.86 116.67 119.53 1ups s ASP 44 Ca 0.56 0.34 0.30 0.00 -0.52 0.00 0.00 52.55 53.23 1ups s ASP 44 Cb -0.38 -2.55 1.72 0.00 -1.46 0.00 0.00 42.92 40.26 1ups s ASP 44 CO 0.41 -1.65 2.12 0.54 0.52 0.00 0.00 175.17 177.10 1ups n ARG 45 N 8.56 0.78 0.07 4.34 1.74 -1.26 -1.37 116.66 129.52 1ups n ARG 45 Ca 0.13 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.34 1ups n ARG 45 Cb 0.49 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 30.84 1ups n ARG 45 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1ups n GLU 46 N -1.09 0.20 -0.04 5.56 1.02 -1.26 -4.29 120.64 120.74 1ups n GLU 46 Ca 0.20 0.14 -0.04 0.00 -0.02 0.00 0.00 57.16 57.44 1ups n GLU 46 Cb 0.15 -1.71 -0.04 0.00 -0.02 0.00 0.00 31.44 29.81 1ups n GLU 46 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ups n LYS 47 N -2.05 1.78 -4.18 3.49 5.02 -0.47 -4.56 118.16 117.19 1ups n LYS 47 Ca 0.06 0.02 -0.17 0.00 -2.02 0.00 0.00 58.31 56.20 1ups n LYS 47 Cb 0.41 -1.16 -0.12 0.00 -0.02 0.00 0.00 35.03 34.13 1ups n LYS 47 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1ups s TRP 48 N -2.16 0.97 0.06 2.13 0.52 -0.62 -4.14 118.94 115.70 1ups s TRP 48 Ca -0.06 -0.41 0.03 0.00 0.02 0.00 0.00 56.10 55.68 1ups s TRP 48 Cb 0.02 -0.57 -0.04 0.00 -1.15 0.00 0.00 33.47 31.74 1ups s TRP 48 CO 0.23 -0.00 0.02 -0.08 0.02 0.00 0.00 176.95 177.14 1ups s THR 49 N -1.09 4.20 -0.60 2.01 -1.32 0.10 -4.35 115.64 114.60 1ups s THR 49 Ca -0.03 -0.82 -0.00 0.00 -1.21 0.00 0.00 61.69 59.63 1ups s THR 49 Cb -0.09 -2.97 0.45 0.00 -1.51 0.00 0.00 72.50 68.39 1ups s THR 49 CO 0.01 0.19 1.89 -0.90 -2.21 0.00 0.00 174.62 173.60 1ups n ASP 50 N 0.77 7.15 -4.21 8.08 3.85 -1.26 -0.98 116.55 129.96 1ups n ASP 50 Ca -0.11 -3.78 -0.24 0.00 -0.71 0.00 0.00 54.79 49.95 1ups n ASP 50 Cb 0.52 -0.86 -0.14 0.00 -1.35 0.00 0.00 41.12 39.29 1ups n ASP 50 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 1ups s TYR 51 N -3.78 1.61 -0.34 2.11 1.51 -1.24 -0.89 117.35 116.32 1ups s TYR 51 Ca 0.62 -0.35 -0.18 0.00 -1.01 0.00 0.00 57.07 56.14 1ups s TYR 51 Cb 0.49 -0.97 -0.00 0.00 -0.11 0.00 0.00 41.96 41.37 1ups s TYR 51 CO 0.00 0.06 0.53 -0.47 -1.11 0.00 0.00 175.55 174.56 1ups s TYR 52 N -0.75 3.18 -0.89 2.71 5.04 -0.49 -4.46 117.35 121.70 1ups s TYR 52 Ca 0.06 0.25 -0.13 0.00 -2.44 0.00 0.00 57.07 54.81 1ups s TYR 52 Cb -0.08 -2.94 0.02 0.00 0.35 0.00 0.00 41.96 39.30 1ups s TYR 52 CO 0.01 -0.53 0.24 1.28 -1.34 0.00 0.00 175.55 175.22 1ups n LEU 53 N 5.77 -0.31 0.28 6.97 4.77 -1.26 -4.77 117.00 128.45 1ups n LEU 53 Ca -0.04 -0.84 0.19 0.00 -0.03 0.00 0.00 56.01 55.28 1ups n LEU 53 Cb 0.49 -1.03 0.91 0.00 -2.33 0.00 0.00 43.42 41.47 1ups n LEU 53 CO 0.45 0.44 1.05 1.55 -1.33 0.00 0.00 177.39 179.55 1ups h PRO 54 N -0.72 0.00 0.00 3.23 0.13 -1.93 -2.27 132.00 130.44 1ups h PRO 54 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ups h PRO 54 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1ups h PRO 54 CO 0.39 0.00 0.00 1.12 -0.23 0.00 0.00 178.00 179.28 1ups h HIS 55 N 0.00 0.00 0.00 1.56 2.07 -1.86 -2.55 115.15 114.37 1ups h HIS 55 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1ups h HIS 55 Cb 0.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.17 1ups h HIS 55 CO 0.00 0.00 -0.17 0.91 -3.07 0.00 0.00 177.93 175.60 1ups n TRP 56 N -2.76 0.55 -4.60 6.12 5.03 -0.85 -0.25 117.44 120.67 1ups n TRP 56 Ca -0.01 0.16 -0.33 0.00 3.03 0.00 0.00 57.50 60.35 1ups n TRP 56 Cb 0.15 -0.72 -0.14 0.00 -1.03 0.00 0.00 31.31 29.57 1ups n TRP 56 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1ups h LYS 58 N 6.88 -0.21 -4.42 0.00 6.56 -1.90 -3.25 116.57 120.22 1ups h LYS 58 Ca -0.29 0.01 -0.72 0.00 -1.06 0.00 0.00 60.65 58.59 1ups h LYS 58 Cb 1.20 0.05 -0.25 0.00 -0.57 0.00 0.00 32.23 32.66 1ups h LYS 58 CO 0.58 -0.14 -0.42 0.34 -2.06 0.00 0.00 179.45 177.75 1ups s ASP 59 N -5.03 5.88 0.12 0.86 3.68 -1.26 -4.98 116.67 115.95 1ups s ASP 59 Ca -0.14 -1.30 0.19 0.00 2.13 0.00 0.00 52.55 53.43 1ups s ASP 59 Cb 0.10 -2.08 0.80 0.00 -1.45 0.00 0.00 42.92 40.28 1ups s ASP 59 CO 0.67 -0.54 1.59 -0.81 0.13 0.00 0.00 175.17 176.21 1ups n PRO 60 N 5.06 0.10 0.25 4.34 -0.04 -1.23 -2.97 135.00 140.51 1ups n PRO 60 Ca -0.11 0.33 0.10 0.00 -0.04 0.00 0.00 63.50 63.77 1ups n PRO 60 Cb 0.44 -1.68 0.66 0.00 -0.04 0.00 0.00 33.50 32.88 1ups n PRO 60 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ups h GLU 61 N 0.00 0.00 -0.05 0.54 4.39 -1.93 -1.32 114.58 116.21 1ups h GLU 61 Ca 0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1ups h GLU 61 Cb 0.31 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1ups h GLU 61 CO 0.00 0.12 0.05 0.66 -1.16 0.00 0.00 179.01 178.68 1ups h SER 62 N 0.00 0.00 -0.14 1.42 4.64 -1.78 -2.73 113.55 114.96 1ups h SER 62 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ups h SER 62 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1ups h SER 62 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1ups n ALA 63 N -2.37 2.52 -1.78 5.18 0.00 -0.50 -4.29 120.51 119.27 1ups n ALA 63 Ca -0.02 -0.54 -0.41 0.00 0.00 0.00 0.00 53.44 52.47 1ups n ALA 63 Cb 0.14 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 1ups n ALA 63 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ups s LYS 64 N -1.83 4.39 0.42 0.00 2.20 -1.03 -1.39 119.74 122.49 1ups s LYS 64 Ca 0.34 2.16 -0.18 0.00 -0.36 0.00 0.00 55.97 57.93 1ups s LYS 64 Cb 0.19 -3.09 -0.10 0.00 -1.51 0.00 0.00 37.83 33.32 1ups s LYS 64 CO 0.29 -0.15 0.89 0.00 -0.36 0.00 0.00 175.35 176.01 1ups s ALA 65 N -1.03 3.14 -0.10 3.13 0.00 -0.07 -4.87 121.76 121.96 1ups s ALA 65 Ca 0.49 0.22 -0.03 0.00 0.00 0.00 0.00 51.96 52.64 1ups s ALA 65 Cb -0.39 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1ups s ALA 65 CO 0.50 0.10 0.03 -0.80 0.00 0.00 0.00 175.76 175.59 1ups s ASN 66 N -2.46 5.47 0.04 0.00 0.01 -1.26 -4.96 114.94 111.78 1ups s ASN 66 Ca 0.59 0.20 -0.28 0.00 -0.71 0.00 0.00 52.86 52.66 1ups s ASN 66 Cb -0.10 -1.62 0.09 0.00 0.41 0.00 0.00 41.25 40.03 1ups s ASN 66 CO 0.19 0.37 0.90 -0.72 -1.51 0.00 0.00 177.10 176.33 1ups s TYR 67 N -0.81 -0.29 0.28 2.20 1.13 -1.26 -1.88 117.35 116.72 1ups s TYR 67 Ca 0.13 0.11 -0.01 0.00 -1.41 0.00 0.00 57.07 55.88 1ups s TYR 67 Cb -0.12 0.57 -0.02 0.00 -1.10 0.00 0.00 41.96 41.29 1ups s TYR 67 CO 0.02 -0.63 0.31 -0.98 -2.51 0.00 0.00 175.55 171.77 1ups s ARG 68 N -3.18 1.57 -0.12 -3.49 1.70 -0.21 -4.97 118.95 110.26 1ups s ARG 68 Ca 0.07 -1.69 0.01 0.00 -0.47 0.00 0.00 55.73 53.65 1ups s ARG 68 Cb -0.01 0.36 -0.01 0.00 -0.57 0.00 0.00 34.95 34.72 1ups s ARG 68 CO -0.06 -0.60 -0.15 -0.06 -1.08 0.00 0.00 175.30 173.35 1ups s PHE 69 N -3.68 2.75 -0.08 5.89 0.08 -1.26 -0.28 117.98 121.39 1ups s PHE 69 Ca 0.35 -0.67 -0.03 0.00 0.12 0.00 0.00 56.93 56.69 1ups s PHE 69 Cb 0.03 -1.79 0.04 0.00 -0.57 0.00 0.00 43.02 40.73 1ups s PHE 69 CO 0.17 -0.21 0.15 -2.00 -0.10 0.00 0.00 175.22 173.23 1ups s GLU 70 N 0.24 0.06 -1.35 0.44 2.12 -0.34 -4.92 118.70 114.94 1ups s GLU 70 Ca -0.10 0.48 -0.05 0.00 0.36 0.00 0.00 54.97 55.66 1ups s GLU 70 Cb -0.16 -0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.02 1ups s GLU 70 CO 0.06 -0.25 0.90 -1.71 -0.54 0.00 0.00 175.26 173.72 1ups n ASN 71 N 4.85 -2.98 -0.25 -1.70 5.15 -1.26 -1.57 115.26 117.50 1ups n ASN 71 Ca -0.14 -0.73 -0.03 0.00 -0.60 0.00 0.00 54.58 53.08 1ups n ASN 71 Cb 0.51 -4.38 -0.01 0.00 -0.53 0.00 0.00 39.78 35.36 1ups n ASN 71 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ups n GLY 72 N -1.58 0.60 3.27 8.20 0.00 -1.26 -5.03 105.19 109.39 1ups n GLY 72 Ca -0.17 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 1ups n GLY 72 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ups s SER 73 N -2.39 2.46 -0.03 1.61 0.01 -0.61 -4.37 113.70 110.40 1ups s SER 73 Ca 0.00 -0.64 -0.30 0.00 1.31 0.00 0.00 55.95 56.32 1ups s SER 73 Cb 0.00 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.04 1ups s SER 73 CO 0.00 0.08 1.24 -0.22 0.41 0.00 0.00 173.24 174.74 1ups s LEU 74 N -1.70 4.30 -0.50 2.44 2.96 -0.06 -1.20 118.68 124.92 1ups s LEU 74 Ca 0.06 1.90 -0.01 0.00 -0.22 0.00 0.00 54.13 55.86 1ups s LEU 74 Cb -0.10 -3.56 0.13 0.00 0.50 0.00 0.00 46.19 43.16 1ups s LEU 74 CO 0.03 -0.59 0.29 -0.69 -1.32 0.00 0.00 176.35 174.07 1ups s VAL 75 N 2.05 3.25 0.22 1.68 1.01 0.61 -0.33 120.40 128.89 1ups s VAL 75 Ca 0.58 -2.61 -0.30 0.00 0.00 0.00 0.00 61.98 59.65 1ups s VAL 75 Cb -0.27 -3.20 -0.08 0.00 0.00 0.00 0.00 36.38 32.83 1ups s VAL 75 CO 0.24 -0.77 1.08 -1.61 0.00 0.00 0.00 175.10 174.04 1ups s GLU 76 N 0.45 4.65 0.03 2.72 2.02 -1.18 -1.04 118.70 126.35 1ups s GLU 76 Ca 0.13 1.71 -0.07 0.00 0.02 0.00 0.00 54.97 56.76 1ups s GLU 76 Cb -0.22 -3.25 -0.00 0.00 0.10 0.00 0.00 34.13 30.76 1ups s GLU 76 CO -0.04 0.18 0.14 1.52 0.02 0.00 0.00 175.26 177.09 1ups s TYR 77 N -0.64 0.12 -0.16 1.61 1.13 -0.79 -2.78 117.35 115.84 1ups s TYR 77 Ca 0.47 -0.36 -0.00 0.00 -1.41 0.00 0.00 57.07 55.76 1ups s TYR 77 Cb -0.30 -0.08 -0.00 0.00 -1.10 0.00 0.00 41.96 40.48 1ups s TYR 77 CO 0.36 -0.38 -0.14 0.42 -2.51 0.00 0.00 175.55 173.30 1ups s ILE 78 N -2.45 2.81 0.55 -3.49 1.01 0.26 -4.13 121.20 115.77 1ups s ILE 78 Ca -0.06 -0.72 -0.07 0.00 0.00 0.00 0.00 60.65 59.80 1ups s ILE 78 Cb -0.02 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.23 1ups s ILE 78 CO -0.04 0.51 0.89 0.42 0.00 0.00 0.00 174.94 176.72 1ups s THR 79 N 0.82 4.46 0.48 2.92 -4.23 -1.26 -1.79 115.64 117.04 1ups s THR 79 Ca -0.05 0.32 0.13 0.00 -1.18 0.00 0.00 61.69 60.92 1ups s THR 79 Cb -0.15 -3.74 0.28 0.00 1.34 0.00 0.00 72.50 70.23 1ups s THR 79 CO 0.00 -0.81 2.11 -0.08 -0.54 0.00 0.00 174.62 175.30 1ups h GLU 80 N -0.06 0.19 -0.73 3.99 4.81 -1.98 -1.74 114.58 119.07 1ups h GLU 80 Ca -0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1ups h GLU 80 Cb 1.22 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1ups h GLU 80 CO 0.62 0.13 0.00 -0.40 -0.73 0.00 0.00 179.01 178.62 1ups n ASP 81 N -4.51 4.16 -4.77 1.04 5.75 -1.26 -4.99 116.55 111.98 1ups n ASP 81 Ca 0.00 -2.10 -0.40 0.00 -0.01 0.00 0.00 54.79 52.28 1ups n ASP 81 Cb 0.11 -0.52 -0.01 0.00 -1.03 0.00 0.00 41.12 39.68 1ups n ASP 81 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1ups s GLN 82 N -1.18 4.08 0.44 0.11 0.74 -0.66 -5.01 119.66 118.17 1ups s GLN 82 Ca 0.50 2.31 -0.04 0.00 0.05 0.00 0.00 55.36 58.18 1ups s GLN 82 Cb 0.27 -2.89 -0.04 0.00 1.10 0.00 0.00 33.01 31.46 1ups s GLN 82 CO 0.32 -0.45 0.72 0.15 -0.55 0.00 0.00 175.29 175.48 1ups s LYS 83 N -2.10 3.55 0.51 1.67 1.02 -1.26 -4.99 119.74 118.15 1ups s LYS 83 Ca 0.54 0.09 -0.22 0.00 0.02 0.00 0.00 55.97 56.40 1ups s LYS 83 Cb -0.41 -2.45 -0.07 0.00 -0.52 0.00 0.00 37.83 34.37 1ups s LYS 83 CO 0.55 -0.10 1.08 -2.30 -0.92 0.00 0.00 175.35 173.66 1ups n PRO 84 N -2.03 1.30 0.14 -1.68 -0.02 -1.26 -4.76 135.00 126.69 1ups n PRO 84 Ca -0.01 0.48 -0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1ups n PRO 84 Cb 0.55 -2.22 0.19 0.00 -0.02 0.00 0.00 33.50 32.01 1ups n PRO 84 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 1ups h TRP 85 N 1.18 0.00 -0.14 6.00 5.08 -1.63 -3.41 115.95 123.03 1ups h TRP 85 Ca -0.47 0.00 -0.19 0.00 1.08 0.00 0.00 58.89 59.30 1ups h TRP 85 Cb 1.34 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 27.35 1ups h TRP 85 CO 0.42 0.58 -0.44 0.00 -1.28 0.00 0.00 178.44 177.72 1ups h PRO 87 N 4.06 0.00 0.00 0.00 0.11 -1.79 0.37 132.00 134.75 1ups h PRO 87 Ca -0.13 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 1ups h PRO 87 Cb 1.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ups h PRO 87 CO 0.22 0.00 -0.13 1.05 -0.21 0.00 0.00 178.00 178.94 1ups h GLU 88 N 0.00 0.00 0.00 1.05 9.09 -1.96 -2.74 114.58 120.02 1ups h GLU 88 Ca 0.06 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.29 1ups h GLU 88 Cb 0.25 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.32 1ups h GLU 88 CO -0.00 0.13 -1.68 0.72 0.05 0.00 0.00 179.01 178.23 1ups n HIS 89 N -3.20 0.00 -0.65 2.06 8.25 -0.81 -4.81 115.22 116.06 1ups n HIS 89 Ca 0.01 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.54 1ups n HIS 89 Cb 0.45 -0.47 0.11 0.00 1.12 0.00 0.00 29.99 31.20 1ups n HIS 89 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1ups n ASP 90 N -2.63 2.48 0.00 0.41 4.64 0.05 -4.96 116.55 116.54 1ups n ASP 90 Ca -0.19 -2.65 0.00 0.00 -1.38 0.00 0.00 54.79 50.57 1ups n ASP 90 Cb 0.77 -0.29 0.00 0.00 -1.04 0.00 0.00 41.12 40.55 1ups n ASP 90 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ups n GLY 91 N -0.87 2.96 1.87 0.27 0.00 -1.03 -2.90 105.19 105.49 1ups n GLY 91 Ca 0.11 -0.36 -0.07 0.00 0.00 0.00 0.00 46.02 45.71 1ups n GLY 91 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ups n THR 92 N 0.00 2.62 -1.93 2.61 -2.24 -1.26 -3.93 114.28 110.16 1ups n THR 92 Ca 0.00 -1.41 -0.41 0.00 -2.27 0.00 0.00 64.05 59.95 1ups n THR 92 Cb 0.00 -0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 67.79 1ups n THR 92 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ups s VAL 93 N -2.67 2.43 -0.02 2.28 1.01 -1.14 -4.72 120.40 117.57 1ups s VAL 93 Ca 0.48 0.37 0.03 0.00 0.00 0.00 0.00 61.98 62.85 1ups s VAL 93 Cb 0.38 -3.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1ups s VAL 93 CO 0.12 0.06 -0.08 -0.13 0.00 0.00 0.00 175.10 175.07 1ups s ARG 94 N -0.65 2.59 -0.16 2.72 0.52 -0.81 -2.21 118.95 120.95 1ups s ARG 94 Ca 0.59 -0.68 -0.21 0.00 -0.52 0.00 0.00 55.73 54.92 1ups s ARG 94 Cb -0.44 -2.51 0.05 0.00 0.52 0.00 0.00 34.95 32.58 1ups s ARG 94 CO 0.47 0.62 0.55 0.45 0.02 0.00 0.00 175.30 177.41 1ups s SER 95 N -1.19 -0.54 -0.23 0.23 0.15 -1.26 -1.91 113.70 108.96 1ups s SER 95 Ca 0.15 0.91 -0.03 0.00 0.70 0.00 0.00 55.95 57.69 1ups s SER 95 Cb -0.11 0.92 0.01 0.00 -1.71 0.00 0.00 66.02 65.13 1ups s SER 95 CO 0.05 -0.30 -0.06 -0.44 1.20 0.00 0.00 173.24 173.69 1ups s SER 96 N -0.18 4.18 0.06 5.45 0.01 -0.87 -4.79 113.70 117.55 1ups s SER 96 Ca -0.04 -0.61 0.05 0.00 1.31 0.00 0.00 55.95 56.65 1ups s SER 96 Cb -0.03 -1.68 -0.03 0.00 0.21 0.00 0.00 66.02 64.49 1ups s SER 96 CO 0.03 -0.06 -0.13 0.00 0.41 0.00 0.00 173.24 173.48 1ups s ALA 97 N 1.40 1.08 0.16 1.44 0.00 -1.26 -2.21 121.76 122.36 1ups s ALA 97 Ca 0.04 -0.90 0.10 0.00 0.00 0.00 0.00 51.96 51.20 1ups s ALA 97 Cb -0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1ups s ALA 97 CO -0.05 0.16 -0.22 0.96 0.00 0.00 0.00 175.76 176.61 1ups s ILE 98 N -1.13 2.55 0.04 0.00 -4.36 -0.32 -3.70 121.20 114.28 1ups s ILE 98 Ca -0.02 -1.78 0.02 0.00 -0.26 0.00 0.00 60.65 58.61 1ups s ILE 98 Cb -0.09 -2.19 -0.02 0.00 1.25 0.00 0.00 42.46 41.41 1ups s ILE 98 CO 0.02 -0.00 -0.08 -0.04 0.24 0.00 0.00 174.94 175.07 1ups s MET 99 N -2.39 0.55 -0.09 0.37 -1.94 -0.15 -1.51 119.30 114.14 1ups s MET 99 Ca 0.19 -0.67 0.05 0.00 -1.71 0.00 0.00 55.69 53.55 1ups s MET 99 Cb -0.09 -0.37 0.30 0.00 2.01 0.00 0.00 34.83 36.68 1ups s MET 99 CO 0.09 0.08 0.97 -1.13 -0.01 0.00 0.00 175.02 175.02 1ups n SER 100 N 1.73 2.73 -3.80 3.03 3.41 0.14 -0.72 113.62 120.14 1ups n SER 100 Ca -0.21 -2.34 -0.06 0.00 -0.26 0.00 0.00 58.87 56.01 1ups n SER 100 Cb 0.55 -0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 1ups n SER 100 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1ups s PHE 101 N -1.65 -0.18 -0.23 7.33 -0.71 -1.26 -0.29 117.98 120.98 1ups s PHE 101 Ca 0.20 -0.21 -0.04 0.00 -1.04 0.00 0.00 56.93 55.85 1ups s PHE 101 Cb 0.15 0.68 0.12 0.00 -1.21 0.00 0.00 43.02 42.76 1ups s PHE 101 CO 0.06 -1.06 0.39 0.34 -1.34 0.00 0.00 175.22 173.61 1ups s ASP 102 N -2.92 0.06 -0.21 1.98 3.68 0.18 -4.73 116.67 114.72 1ups s ASP 102 Ca 0.11 0.44 -0.18 0.00 2.13 0.00 0.00 52.55 55.05 1ups s ASP 102 Cb -0.04 1.20 0.06 0.00 -1.45 0.00 0.00 42.92 42.69 1ups s ASP 102 CO 0.04 -0.28 0.55 -0.75 0.13 0.00 0.00 175.17 174.87 1ups s LYS 103 N 2.57 0.63 0.54 4.34 2.20 -1.26 -0.85 119.74 127.92 1ups s LYS 103 Ca 0.09 0.81 -0.21 0.00 -0.36 0.00 0.00 55.97 56.30 1ups s LYS 103 Cb -0.15 0.28 -0.06 0.00 -1.51 0.00 0.00 37.83 36.39 1ups s LYS 103 CO -0.15 -0.09 1.15 0.43 -0.36 0.00 0.00 175.35 176.33 1ups n SER 104 N 3.00 1.70 0.00 1.43 7.64 -1.26 -3.46 113.62 122.67 1ups n SER 104 Ca -0.15 0.93 0.00 0.00 1.01 0.00 0.00 58.87 60.66 1ups n SER 104 Cb 0.56 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 1ups n SER 104 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1ups n TRP 105 N -1.17 0.00 -2.08 1.43 7.02 -1.26 -4.81 117.44 116.56 1ups n TRP 105 Ca 0.11 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.17 1ups n TRP 105 Cb 0.44 -0.66 -0.03 0.00 -2.42 0.00 0.00 31.31 28.65 1ups n TRP 105 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1ups s ILE 106 N -2.56 3.18 -0.77 -0.99 -1.09 -1.23 -4.07 121.20 113.68 1ups s ILE 106 Ca 0.00 0.78 -0.01 0.00 -2.23 0.00 0.00 60.65 59.19 1ups s ILE 106 Cb 0.00 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 37.37 1ups s ILE 106 CO 0.00 0.04 0.72 1.57 -1.23 0.00 0.00 174.94 176.04 1ups n HIS 107 N 4.49 -2.89 -1.82 3.97 -0.00 -1.26 -4.88 115.22 112.84 1ups n HIS 107 Ca 0.13 1.09 -0.42 0.00 0.46 0.00 0.00 57.72 58.98 1ups n HIS 107 Cb 0.41 -4.09 -0.00 0.00 -0.12 0.00 0.00 29.99 26.19 1ups n HIS 107 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1ups n ASN 108 N -1.94 4.64 0.26 0.26 2.85 -1.26 -4.75 115.26 115.33 1ups n ASN 108 Ca -0.01 -2.88 0.11 0.00 -0.11 0.00 0.00 54.58 51.70 1ups n ASN 108 Cb 0.51 -1.61 0.72 0.00 1.24 0.00 0.00 39.78 40.64 1ups n ASN 108 CO 0.00 0.00 0.00 2.19 -2.11 0.00 0.00 177.26 177.34 1ups h PHE 109 N 5.83 0.00 -0.00 1.20 -5.15 -1.96 -1.98 116.94 114.87 1ups h PHE 109 Ca 0.57 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.34 1ups h PHE 109 Cb 0.60 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.77 1ups h PHE 109 CO 1.46 0.10 -0.56 -1.13 -2.00 0.00 0.00 178.31 176.18 1ups n SER 110 N -3.93 0.98 -2.58 -0.68 3.41 -1.26 -4.97 113.62 104.60 1ups n SER 110 Ca -0.02 -0.78 -0.21 0.00 -0.26 0.00 0.00 58.87 57.59 1ups n SER 110 Cb 0.19 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1ups n SER 110 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ups n GLY 111 N 1.45 -0.50 3.81 5.00 0.00 -0.75 -5.00 105.19 109.20 1ups n GLY 111 Ca 0.07 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1ups n GLY 111 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ups s THR 112 N -3.09 3.94 -2.81 2.61 -1.32 -1.26 -4.97 115.64 108.75 1ups s THR 112 Ca 0.10 0.96 0.25 0.00 -1.21 0.00 0.00 61.69 61.79 1ups s THR 112 Cb -0.04 -3.45 0.32 0.00 -1.51 0.00 0.00 72.50 67.82 1ups s THR 112 CO 0.12 -0.50 1.44 0.35 -2.21 0.00 0.00 174.62 173.81 1ups n THR 113 N -1.81 0.01 -2.44 5.08 -2.24 -1.26 -4.75 114.28 106.87 1ups n THR 113 Ca 0.08 -0.41 -0.43 0.00 -2.27 0.00 0.00 64.05 61.02 1ups n THR 113 Cb 0.53 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 1ups n THR 113 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ups n ASP 114 N 0.93 5.13 -4.81 3.42 8.00 -1.26 -4.99 116.55 122.96 1ups n ASP 114 Ca 0.16 -3.10 -0.37 0.00 0.71 0.00 0.00 54.79 52.19 1ups n ASP 114 Cb 0.51 -1.49 -0.06 0.00 -0.02 0.00 0.00 41.12 40.06 1ups n ASP 114 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1ups s ASN 115 N 1.10 7.13 -0.25 -2.24 2.47 -1.26 -4.73 114.94 117.16 1ups s ASN 115 Ca 0.40 1.45 -0.06 0.00 0.42 0.00 0.00 52.86 55.07 1ups s ASN 115 Cb 0.08 -2.43 -0.01 0.00 -1.45 0.00 0.00 41.25 37.44 1ups s ASN 115 CO 0.01 0.10 0.02 -1.00 -3.72 0.00 0.00 177.10 172.51 1ups s HIS 116 N -1.39 3.05 0.27 0.43 3.76 0.65 -5.04 115.29 117.02 1ups s HIS 116 Ca 0.40 -0.76 -0.30 0.00 -0.15 0.00 0.00 55.06 54.25 1ups s HIS 116 Cb -0.18 -2.19 -0.12 0.00 1.11 0.00 0.00 32.58 31.20 1ups s HIS 116 CO 0.22 -0.48 1.53 -0.85 -0.85 0.00 0.00 174.74 174.31 1ups n GLU 117 N 4.86 2.47 -4.41 1.40 0.00 -1.26 -4.53 120.64 119.16 1ups n GLU 117 Ca -0.17 0.88 -0.27 0.00 0.00 0.00 0.00 57.16 57.60 1ups n GLU 117 Cb 0.50 -2.62 -0.13 0.00 0.00 0.00 0.00 31.44 29.19 1ups n GLU 117 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1ups s ARG 118 N -0.43 1.35 -0.37 3.44 1.81 -1.26 -5.02 118.95 118.46 1ups s ARG 118 Ca 0.66 -1.25 -0.29 0.00 -1.72 0.00 0.00 55.73 53.12 1ups s ARG 118 Cb -0.55 -1.73 0.02 0.00 -0.45 0.00 0.00 34.95 32.24 1ups s ARG 118 CO 0.49 0.41 1.09 -0.80 -0.68 0.00 0.00 175.30 175.81 1ups s ASN 119 N -1.90 6.84 0.13 0.23 0.01 -1.26 -4.53 114.94 114.46 1ups s ASN 119 Ca 0.11 0.87 -0.34 0.00 -0.71 0.00 0.00 52.86 52.79 1ups s ASN 119 Cb -0.10 -2.54 -0.14 0.00 0.41 0.00 0.00 41.25 38.88 1ups s ASN 119 CO 0.05 -0.99 1.59 1.21 -1.51 0.00 0.00 177.10 177.45 1ups n GLU 120 N 7.16 2.07 -3.98 -0.60 2.13 -1.26 -4.80 120.64 121.36 1ups n GLU 120 Ca 0.12 0.75 -0.14 0.00 0.66 0.00 0.00 57.16 58.55 1ups n GLU 120 Cb 0.48 -2.51 -0.14 0.00 0.27 0.00 0.00 31.44 29.53 1ups n GLU 120 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 1ups s TRP 121 N 1.22 0.21 -0.29 4.31 -0.00 -0.03 -5.01 118.94 119.36 1ups s TRP 121 Ca 0.81 -0.03 -0.01 0.00 -0.00 0.00 0.00 56.10 56.87 1ups s TRP 121 Cb -0.70 -0.16 0.09 0.00 -0.00 0.00 0.00 33.47 32.69 1ups s TRP 121 CO 0.40 -0.02 0.07 1.03 -0.00 0.00 0.00 176.95 178.44 1ups s ARG 122 N 0.09 0.79 -0.02 5.86 0.52 -1.26 -0.64 118.95 124.30 1ups s ARG 122 Ca -0.01 -0.99 -0.24 0.00 -0.52 0.00 0.00 55.73 53.97 1ups s ARG 122 Cb -0.03 -2.09 -0.18 0.00 0.52 0.00 0.00 34.95 33.18 1ups s ARG 122 CO -0.00 -0.90 1.17 0.78 0.02 0.00 0.00 175.30 176.37 1ups h GLY 123 N 8.09 -0.20 -6.18 -3.53 0.00 -0.85 -3.45 103.07 96.96 1ups h GLY 123 Ca -0.14 0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 1ups h GLY 123 CO 0.45 -0.07 -0.40 -0.47 0.00 0.00 0.00 176.54 176.05 1ups s TYR 124 N -4.24 -0.99 -0.02 5.60 5.04 -0.25 -4.73 117.35 117.76 1ups s TYR 124 Ca -0.14 1.23 0.04 0.00 -2.44 0.00 0.00 57.07 55.75 1ups s TYR 124 Cb 0.02 0.23 -0.01 0.00 0.35 0.00 0.00 41.96 42.55 1ups s TYR 124 CO 0.58 -0.69 -0.13 0.95 -1.34 0.00 0.00 175.55 174.92 1ups s THR 125 N 2.64 1.05 0.18 4.34 -4.23 -1.26 -4.37 115.64 113.99 1ups s THR 125 Ca 0.10 -0.55 -0.17 0.00 -1.18 0.00 0.00 61.69 59.89 1ups s THR 125 Cb -0.14 -0.89 0.03 0.00 1.34 0.00 0.00 72.50 72.84 1ups s THR 125 CO -0.16 0.30 0.50 0.28 -0.54 0.00 0.00 174.62 175.01 1ups s THR 126 N -0.16 0.03 -0.15 3.99 -1.32 -1.02 -4.88 115.64 112.13 1ups s THR 126 Ca 0.02 -0.72 0.02 0.00 -1.21 0.00 0.00 61.69 59.80 1ups s THR 126 Cb -0.07 -1.50 0.01 0.00 -1.51 0.00 0.00 72.50 69.44 1ups s THR 126 CO 0.00 -0.14 -0.21 -0.75 -2.21 0.00 0.00 174.62 171.31 1ups s LYS 127 N -3.86 3.02 0.18 7.08 2.20 -1.26 -1.42 119.74 125.69 1ups s LYS 127 Ca 0.08 -0.84 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 1ups s LYS 127 Cb -0.00 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.84 1ups s LYS 127 CO -0.05 -0.06 0.00 0.66 -0.36 0.00 0.00 175.35 175.55 1ups n TYR 128 N 4.19 -1.22 -0.17 4.03 0.53 -1.26 -5.04 117.16 118.23 1ups n TYR 128 Ca -0.20 0.67 0.00 0.00 -1.02 0.00 0.00 57.90 57.35 1ups n TYR 128 Cb 0.51 -1.22 0.00 0.00 -1.03 0.00 0.00 39.34 37.61 1ups n TYR 128 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1ups n GLY 129 N -2.34 0.55 3.32 2.72 0.00 -0.27 -4.96 105.19 104.21 1ups n GLY 129 Ca -0.02 -1.85 -0.38 0.00 0.00 0.00 0.00 46.02 43.77 1ups n GLY 129 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ups s TYR 130 N -1.45 3.21 -0.11 1.61 6.14 -0.25 -0.73 117.35 125.77 1ups s TYR 130 Ca 0.00 -1.16 -0.02 0.00 0.64 0.00 0.00 57.07 56.53 1ups s TYR 130 Cb 0.00 -2.29 -0.03 0.00 0.42 0.00 0.00 41.96 40.06 1ups s TYR 130 CO 0.00 -0.65 -0.03 -0.06 0.64 0.00 0.00 175.55 175.45 1ups s PHE 131 N 1.47 3.04 -0.09 4.97 0.40 0.49 -0.91 117.98 127.35 1ups s PHE 131 Ca 0.01 -0.06 -0.07 0.00 -0.60 0.00 0.00 56.93 56.20 1ups s PHE 131 Cb -0.18 -1.84 0.03 0.00 0.51 0.00 0.00 43.02 41.53 1ups s PHE 131 CO 0.03 0.21 0.23 -2.00 0.70 0.00 0.00 175.22 174.40 1ups s GLU 132 N -0.32 0.25 0.20 0.44 2.12 0.17 -0.91 118.70 120.65 1ups s GLU 132 Ca 0.06 0.35 0.08 0.00 0.36 0.00 0.00 54.97 55.82 1ups s GLU 132 Cb -0.12 0.08 -0.05 0.00 0.26 0.00 0.00 34.13 34.30 1ups s GLU 132 CO 0.02 -0.06 -0.15 0.96 -0.54 0.00 0.00 175.26 175.49 1ups s ILE 133 N 0.33 1.80 -0.14 -3.70 -4.36 -0.14 -0.95 121.20 114.04 1ups s ILE 133 Ca -0.02 -2.18 0.02 0.00 -0.26 0.00 0.00 60.65 58.21 1ups s ILE 133 Cb -0.03 -2.03 0.01 0.00 1.25 0.00 0.00 42.46 41.66 1ups s ILE 133 CO -0.01 -0.55 -0.20 -0.60 0.24 0.00 0.00 174.94 173.83 1ups s ARG 134 N -3.52 2.79 0.02 0.37 3.52 -1.06 -1.14 118.95 119.93 1ups s ARG 134 Ca 0.22 -0.76 -0.12 0.00 -0.13 0.00 0.00 55.73 54.94 1ups s ARG 134 Cb -0.02 -2.32 0.01 0.00 -1.56 0.00 0.00 34.95 31.07 1ups s ARG 134 CO 0.07 -0.08 0.24 0.00 -0.81 0.00 0.00 175.30 174.73 1ups s ALA 135 N 1.00 -0.54 -0.15 6.12 0.00 -0.23 -0.30 121.76 127.65 1ups s ALA 135 Ca -0.04 -0.05 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1ups s ALA 135 Cb -0.15 0.23 0.01 0.00 0.00 0.00 0.00 23.12 23.21 1ups s ALA 135 CO -0.05 -0.34 -0.21 0.21 0.00 0.00 0.00 175.76 175.38 1ups s LYS 136 N -2.15 2.97 0.64 0.00 2.20 -0.27 -1.18 119.74 121.95 1ups s LYS 136 Ca -0.08 -0.83 -0.08 0.00 -0.36 0.00 0.00 55.97 54.62 1ups s LYS 136 Cb -0.03 -2.46 0.01 0.00 -1.51 0.00 0.00 37.83 33.84 1ups s LYS 136 CO -0.01 -0.09 0.99 -0.51 -0.36 0.00 0.00 175.35 175.36 1ups s LEU 137 N 1.01 3.08 0.28 5.43 1.43 -0.72 -1.54 118.68 127.65 1ups s LEU 137 Ca -0.02 0.88 -0.30 0.00 -1.03 0.00 0.00 54.13 53.66 1ups s LEU 137 Cb -0.15 -3.69 -0.13 0.00 0.03 0.00 0.00 46.19 42.26 1ups s LEU 137 CO -0.06 -1.20 1.34 -0.24 0.23 0.00 0.00 176.35 176.42 1ups n SER 138 N -2.77 2.64 -1.27 2.29 2.88 -1.24 -4.52 113.62 111.62 1ups n SER 138 Ca 0.06 1.17 0.09 0.00 -1.33 0.00 0.00 58.87 58.85 1ups n SER 138 Cb 0.57 -1.43 0.30 0.00 -0.75 0.00 0.00 64.21 62.90 1ups n SER 138 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1ups n ASN 139 N 1.62 4.17 0.19 -3.46 6.94 -1.26 -4.63 115.26 118.83 1ups n ASN 139 Ca 0.09 -2.37 0.05 0.00 -0.02 0.00 0.00 54.58 52.33 1ups n ASN 139 Cb 0.33 -0.49 0.34 0.00 -2.36 0.00 0.00 39.78 37.60 1ups n ASN 139 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 1ups h THR 140 N 3.40 0.98 -1.33 5.53 1.35 -1.90 -3.50 112.91 117.44 1ups h THR 140 Ca 0.00 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.36 1ups h THR 140 Cb 1.24 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 1ups h THR 140 CO 0.15 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1ups n GLY 141 N 0.08 -0.45 7.00 5.82 0.00 -1.26 -4.77 105.19 111.61 1ups n GLY 141 Ca -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1ups n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ups n GLY 142 N 0.00 -0.98 3.77 -0.02 0.00 -1.26 -4.68 105.19 102.02 1ups n GLY 142 Ca 0.00 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 1ups n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ups s GLY 143 N -2.83 2.88 0.00 -0.02 0.00 -0.72 -3.35 107.32 103.28 1ups s GLY 143 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.48 1ups s GLY 143 CO 0.00 1.26 0.00 0.61 0.00 0.00 0.00 173.10 174.97 1ups n GLY 144 N 0.71 3.00 3.67 0.20 0.00 -0.68 -4.20 105.19 107.89 1ups n GLY 144 Ca 0.02 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.08 1ups n GLY 144 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ups s HIS 145 N -2.00 -0.29 0.30 1.61 0.00 -0.97 -1.35 115.29 112.58 1ups s HIS 145 Ca 0.00 -0.07 0.10 0.00 -3.00 0.00 0.00 55.06 52.09 1ups s HIS 145 Cb 0.00 0.62 -0.05 0.00 -4.00 0.00 0.00 32.58 29.15 1ups s HIS 145 CO 0.00 -1.07 -0.02 1.14 -1.00 0.00 0.00 174.74 173.79 1ups s GLN 146 N -3.86 2.12 -0.13 -0.38 0.00 -1.07 -0.55 119.66 115.80 1ups s GLN 146 Ca 0.08 -1.60 -0.11 0.00 -0.00 0.00 0.00 55.36 53.73 1ups s GLN 146 Cb -0.04 -2.02 0.04 0.00 0.00 0.00 0.00 33.01 30.99 1ups s GLN 146 CO -0.01 0.26 0.34 0.00 0.00 0.00 0.00 175.29 175.88 1ups s ALA 147 N -2.43 -0.85 -0.21 2.60 0.00 0.45 -3.24 121.76 118.09 1ups s ALA 147 Ca 0.33 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.36 1ups s ALA 147 Cb -0.04 -0.62 0.04 0.00 0.00 0.00 0.00 23.12 22.49 1ups s ALA 147 CO 0.19 -0.18 -0.16 -0.46 0.00 0.00 0.00 175.76 175.15 1ups s TRP 148 N 0.48 2.95 0.15 0.00 -0.00 -0.04 -1.25 118.94 121.23 1ups s TRP 148 Ca -0.02 -1.91 -0.09 0.00 -0.00 0.00 0.00 56.10 54.08 1ups s TRP 148 Cb -0.04 -1.91 -0.01 0.00 -0.00 0.00 0.00 33.47 31.51 1ups s TRP 148 CO -0.02 -0.83 0.26 1.67 -0.00 0.00 0.00 176.95 178.03 1ups s TRP 149 N 1.22 0.36 0.03 5.86 1.48 -0.56 -0.95 118.94 126.39 1ups s TRP 149 Ca -0.01 -0.74 0.04 0.00 -1.06 0.00 0.00 56.10 54.33 1ups s TRP 149 Cb -0.16 -0.07 -0.02 0.00 -1.16 0.00 0.00 33.47 32.07 1ups s TRP 149 CO -0.10 -0.68 -0.11 -1.64 -4.06 0.00 0.00 176.95 170.36 1ups s MET 150 N -3.95 0.74 0.03 3.25 -1.94 -0.18 -0.63 119.30 116.63 1ups s MET 150 Ca 0.15 -0.67 0.03 0.00 -1.71 0.00 0.00 55.69 53.50 1ups s MET 150 Cb 0.04 -0.68 -0.02 0.00 2.01 0.00 0.00 34.83 36.18 1ups s MET 150 CO -0.02 0.16 -0.10 0.14 -0.01 0.00 0.00 175.02 175.19 1ups s VAL 151 N -0.87 0.77 0.52 -6.03 -7.23 -0.62 -1.16 120.40 105.79 1ups s VAL 151 Ca -0.01 -0.89 -0.22 0.00 -1.81 0.00 0.00 61.98 59.05 1ups s VAL 151 Cb -0.07 -0.74 -0.06 0.00 0.56 0.00 0.00 36.38 36.07 1ups s VAL 151 CO 0.01 -0.12 1.33 0.61 -0.31 0.00 0.00 175.10 176.62 1ups n GLY 152 N 1.93 0.70 0.38 2.32 0.00 0.13 -0.66 105.19 109.99 1ups n GLY 152 Ca -0.19 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.01 1ups n GLY 152 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ups n MET 153 N -0.79 1.52 -3.78 1.61 2.81 -0.77 -4.75 117.12 112.96 1ups n MET 153 Ca 0.10 -0.76 -0.27 0.00 -1.81 0.00 0.00 57.70 54.96 1ups n MET 153 Cb 0.44 -1.44 0.05 0.00 -0.71 0.00 0.00 33.22 31.55 1ups n MET 153 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1ups n GLN 154 N -0.06 -6.34 0.18 0.03 6.02 -0.87 -4.85 117.38 111.49 1ups n GLN 154 Ca 0.19 0.68 0.14 0.00 -0.01 0.00 0.00 57.00 58.00 1ups n GLN 154 Cb 0.28 -5.61 0.45 0.00 1.02 0.00 0.00 30.24 26.38 1ups n GLN 154 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1ups h ASP 155 N -2.27 0.00 0.28 1.08 3.32 -1.92 -0.29 116.42 116.62 1ups h ASP 155 Ca -0.58 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.46 1ups h ASP 155 Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1ups h ASP 155 CO 0.62 0.00 -0.13 -2.24 -1.72 0.00 0.00 179.24 175.77 1ups h ASP 156 N 0.00 -0.32 0.00 6.45 -0.00 -1.94 -3.38 116.42 117.23 1ups h ASP 156 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 57.03 56.96 1ups h ASP 156 Cb 0.64 0.08 0.00 0.00 -0.00 0.00 0.00 39.33 40.05 1ups h ASP 156 CO 0.00 -0.13 -0.90 0.35 -0.00 0.00 0.00 179.24 178.56 1ups n THR 157 N -5.20 0.00 -2.03 1.15 -2.24 -1.23 -5.00 114.28 99.73 1ups n THR 157 Ca -0.10 -0.22 -0.19 0.00 -2.27 0.00 0.00 64.05 61.27 1ups n THR 157 Cb 0.20 0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 68.99 1ups n THR 157 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ups n ASN 158 N -1.49 -5.35 -2.00 3.42 3.02 -0.12 -4.97 115.26 107.76 1ups n ASN 158 Ca -0.00 0.23 -0.06 0.00 -0.03 0.00 0.00 54.58 54.71 1ups n ASN 158 Cb 0.13 -4.59 -0.02 0.00 -0.61 0.00 0.00 39.78 34.69 1ups n ASN 158 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1ups n ASP 159 N -1.63 0.87 -0.12 6.41 5.68 -1.26 -4.83 116.55 121.67 1ups n ASP 159 Ca -0.21 -1.54 -0.22 0.00 -0.50 0.00 0.00 54.79 52.32 1ups n ASP 159 Cb 0.66 0.27 -0.08 0.00 -1.14 0.00 0.00 41.12 40.83 1ups n ASP 159 CO 0.00 0.00 0.00 1.87 -1.33 0.00 0.00 177.20 177.74 1ups n TRP 160 N -0.22 0.15 0.24 2.11 -0.00 -1.26 -4.23 117.44 114.23 1ups n TRP 160 Ca -0.01 0.06 0.10 0.00 -0.00 0.00 0.00 57.50 57.65 1ups n TRP 160 Cb 0.15 -0.85 0.62 0.00 -0.00 0.00 0.00 31.31 31.23 1ups n TRP 160 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 1ups h PHE 161 N -1.00 0.00 -0.01 5.87 -1.00 -1.97 -2.03 116.94 116.79 1ups h PHE 161 Ca -0.43 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.35 1ups h PHE 161 Cb 1.35 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.91 1ups h PHE 161 CO -0.18 0.17 -0.42 0.09 -1.61 0.00 0.00 178.31 176.36 1ups n ASN 162 N -3.79 1.90 -4.77 2.17 3.02 -1.26 -4.97 115.26 107.56 1ups n ASN 162 Ca -0.02 -1.45 -0.38 0.00 -0.03 0.00 0.00 54.58 52.70 1ups n ASN 162 Cb 0.28 0.47 -0.06 0.00 -0.61 0.00 0.00 39.78 39.86 1ups n ASN 162 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ups s SER 163 N -2.26 7.25 -0.01 6.41 0.15 -0.77 -4.84 113.70 119.63 1ups s SER 163 Ca 0.17 1.96 0.10 0.00 0.70 0.00 0.00 55.95 58.88 1ups s SER 163 Cb 0.16 -2.59 0.28 0.00 -1.71 0.00 0.00 66.02 62.16 1ups s SER 163 CO 0.51 -0.13 1.23 0.29 1.20 0.00 0.00 173.24 176.34 1ups n LYS 164 N 0.67 2.88 -2.86 5.44 4.01 -1.26 -4.73 118.16 122.31 1ups n LYS 164 Ca 0.01 -2.03 -0.33 0.00 -0.51 0.00 0.00 58.31 55.46 1ups n LYS 164 Cb 0.49 -1.27 -0.02 0.00 -0.51 0.00 0.00 35.03 33.72 1ups n LYS 164 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1ups n GLN 165 N 0.32 4.03 -0.10 1.97 6.02 -1.26 -3.99 117.38 124.37 1ups n GLN 165 Ca 0.11 -4.78 0.06 0.00 -0.01 0.00 0.00 57.00 52.38 1ups n GLN 165 Cb 0.43 -2.33 0.08 0.00 1.02 0.00 0.00 30.24 29.44 1ups n GLN 165 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ups n THR 166 N -0.07 1.33 -1.65 5.09 -2.24 -1.26 -2.05 114.28 113.44 1ups n THR 166 Ca 0.36 -1.54 -0.41 0.00 -2.27 0.00 0.00 64.05 60.19 1ups n THR 166 Cb 0.34 0.11 0.02 0.00 -2.10 0.00 0.00 70.33 68.70 1ups n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ups n GLY 167 N -0.94 0.07 3.18 3.38 0.00 -1.23 -4.41 105.19 105.23 1ups n GLY 167 Ca 0.09 0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1ups n GLY 167 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ups s GLU 168 N -2.18 2.82 -0.22 1.61 2.12 0.66 -0.69 118.70 122.83 1ups s GLU 168 Ca 0.64 -0.80 0.02 0.00 0.36 0.00 0.00 54.97 55.19 1ups s GLU 168 Cb -0.52 -2.18 0.04 0.00 0.26 0.00 0.00 34.13 31.73 1ups s GLU 168 CO 0.56 0.12 -0.15 0.42 -0.54 0.00 0.00 175.26 175.66 1ups s ILE 169 N 0.49 2.06 -0.80 -3.70 1.01 -0.31 -1.52 121.20 118.43 1ups s ILE 169 Ca -0.16 -1.24 -0.18 0.00 0.00 0.00 0.00 60.65 59.06 1ups s ILE 169 Cb -0.17 -2.02 0.13 0.00 0.01 0.00 0.00 42.46 40.41 1ups s ILE 169 CO 0.06 0.26 0.94 -1.81 0.00 0.00 0.00 174.94 174.39 1ups s ASP 170 N 1.22 6.49 0.26 3.58 1.01 0.11 -1.00 116.67 128.34 1ups s ASP 170 Ca -0.02 -1.89 0.00 0.00 0.71 0.00 0.00 52.55 51.35 1ups s ASP 170 Cb -0.16 -2.34 0.34 0.00 1.01 0.00 0.00 42.92 41.76 1ups s ASP 170 CO -0.09 -1.03 1.70 0.40 0.21 0.00 0.00 175.17 176.35 1ups h ILE 171 N 5.68 1.27 -3.35 0.77 2.04 -1.28 -1.78 117.51 120.85 1ups h ILE 171 Ca -0.01 -1.27 -0.24 0.00 1.00 0.00 0.00 64.86 64.34 1ups h ILE 171 Cb 1.05 1.28 -0.30 0.00 -0.74 0.00 0.00 36.82 38.10 1ups h ILE 171 CO 1.05 0.41 -0.61 -0.22 0.00 0.00 0.00 178.15 178.78 1ups s LEU 172 N -8.77 1.04 0.00 1.44 0.20 -0.60 -4.66 118.68 107.33 1ups s LEU 172 Ca -0.08 0.25 0.07 0.00 0.69 0.00 0.00 54.13 55.06 1ups s LEU 172 Cb 0.14 0.32 0.12 0.00 -0.43 0.00 0.00 46.19 46.34 1ups s LEU 172 CO 0.81 -0.11 1.00 1.21 -0.29 0.00 0.00 176.35 178.97 1ups n GLU 173 N 3.82 0.00 -1.67 1.98 2.13 -0.32 -0.86 120.64 125.72 1ups n GLU 173 Ca -0.22 -1.20 -0.46 0.00 0.66 0.00 0.00 57.16 55.95 1ups n GLU 173 Cb 0.54 -0.27 -0.04 0.00 0.27 0.00 0.00 31.44 31.94 1ups n GLU 173 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1ups n THR 174 N 0.14 0.01 -2.62 6.31 -1.04 -1.20 -4.61 114.28 111.27 1ups n THR 174 Ca 0.00 -0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.64 1ups n THR 174 Cb 0.81 -1.59 -0.05 0.00 -1.82 0.00 0.00 70.33 67.68 1ups n THR 174 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1ups s PHE 175 N 0.99 3.52 0.47 -1.42 2.99 -1.26 -2.60 117.98 120.68 1ups s PHE 175 Ca 0.79 1.72 0.16 0.00 0.00 0.00 0.00 56.93 59.60 1ups s PHE 175 Cb -0.66 -3.08 1.15 0.00 0.00 0.00 0.00 43.02 40.43 1ups s PHE 175 CO 0.37 -0.26 2.04 0.74 -0.00 0.00 0.00 175.22 178.12 1ups h PHE 176 N 3.11 0.24 -0.00 0.36 0.04 -1.44 -2.65 116.94 116.60 1ups h PHE 176 Ca -0.47 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.30 1ups h PHE 176 Cb 1.21 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.28 1ups h PHE 176 CO 0.59 0.12 -0.05 -1.13 -0.60 0.00 0.00 178.31 177.24 1ups n SER 177 N -4.47 0.40 -3.40 2.17 3.41 -1.21 -4.20 113.62 106.32 1ups n SER 177 Ca 0.06 -0.72 -0.26 0.00 -0.26 0.00 0.00 58.87 57.68 1ups n SER 177 Cb 0.31 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 64.10 1ups n SER 177 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ups n LYS 178 N -0.89 2.06 0.09 4.33 5.02 -1.00 -4.96 118.16 122.81 1ups n LYS 178 Ca 0.17 -4.33 0.11 0.00 -2.02 0.00 0.00 58.31 52.24 1ups n LYS 178 Cb 0.24 -2.03 0.44 0.00 -0.02 0.00 0.00 35.03 33.66 1ups n LYS 178 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ups n LYS 179 N 1.07 0.14 -0.34 1.97 4.76 -1.26 -2.04 118.16 122.46 1ups n LYS 179 Ca 0.27 0.35 0.09 0.00 -2.87 0.00 0.00 58.31 56.16 1ups n LYS 179 Cb 0.43 -1.75 0.27 0.00 -1.84 0.00 0.00 35.03 32.14 1ups n LYS 179 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1ups n ASP 180 N -2.00 3.70 -4.83 4.39 5.75 -1.26 -4.24 116.55 118.06 1ups n ASP 180 Ca 0.03 -2.08 -0.22 0.00 -0.01 0.00 0.00 54.79 52.51 1ups n ASP 180 Cb 0.23 -0.41 -0.04 0.00 -1.03 0.00 0.00 41.12 39.86 1ups n ASP 180 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1ups s THR 181 N -1.15 3.22 -0.22 2.12 -4.23 -0.86 -0.78 115.64 113.74 1ups s THR 181 Ca 0.40 -1.45 -0.02 0.00 -1.18 0.00 0.00 61.69 59.45 1ups s THR 181 Cb 0.22 -3.10 0.07 0.00 1.34 0.00 0.00 72.50 71.03 1ups s THR 181 CO 0.26 -0.14 0.02 0.86 -0.54 0.00 0.00 174.62 175.08 1ups s TRP 182 N -2.37 1.50 -0.08 3.99 -0.00 -0.72 -4.76 118.94 116.50 1ups s TRP 182 Ca 0.42 -1.23 -0.24 0.00 -0.00 0.00 0.00 56.10 55.04 1ups s TRP 182 Cb -0.04 -1.28 -0.03 0.00 -0.00 0.00 0.00 33.47 32.12 1ups s TRP 182 CO 0.26 -0.69 0.76 0.50 -0.00 0.00 0.00 176.95 177.77 1ups s ARG 183 N 1.69 4.42 -0.02 5.86 3.52 -1.26 -3.63 118.95 129.54 1ups s ARG 183 Ca -0.01 0.96 0.03 0.00 -0.13 0.00 0.00 55.73 56.58 1ups s ARG 183 Cb -0.18 -3.47 -0.00 0.00 -1.56 0.00 0.00 34.95 29.74 1ups s ARG 183 CO -0.10 -0.02 -0.09 0.42 -0.81 0.00 0.00 175.30 174.70 1ups s ILE 184 N 1.07 0.78 0.13 4.11 1.01 -0.37 -1.17 121.20 126.76 1ups s ILE 184 Ca 0.39 -0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.55 1ups s ILE 184 Cb -0.18 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.61 1ups s ILE 184 CO 0.18 0.24 0.28 0.00 0.00 0.00 0.00 174.94 175.64 1ups s ALA 185 N 0.04 -0.33 -0.00 9.38 0.00 -0.67 -1.35 121.76 128.82 1ups s ALA 185 Ca -0.01 -0.58 -0.26 0.00 0.00 0.00 0.00 51.96 51.12 1ups s ALA 185 Cb -0.07 0.67 0.06 0.00 0.00 0.00 0.00 23.12 23.78 1ups s ALA 185 CO 0.00 -0.60 0.58 0.00 0.00 0.00 0.00 175.76 175.74 1ups s ALA 186 N -3.89 -1.50 -0.24 0.00 0.00 -0.62 0.04 121.76 115.56 1ups s ALA 186 Ca 0.09 0.92 -0.26 0.00 0.00 0.00 0.00 51.96 52.71 1ups s ALA 186 Cb 0.03 0.19 0.09 0.00 0.00 0.00 0.00 23.12 23.44 1ups s ALA 186 CO -0.07 -0.43 0.84 -0.47 0.00 0.00 0.00 175.76 175.64 1ups s TYR 187 N -1.78 -0.63 -0.87 0.00 5.04 -0.57 -1.98 117.35 116.56 1ups s TYR 187 Ca -0.09 1.45 0.26 0.00 -2.44 0.00 0.00 57.07 56.25 1ups s TYR 187 Cb -0.01 0.34 0.65 0.00 0.35 0.00 0.00 41.96 43.29 1ups s TYR 187 CO 0.04 -0.36 1.54 0.41 -1.34 0.00 0.00 175.55 175.84 1ups n GLY 188 N 2.12 -1.40 7.00 8.97 0.00 -0.23 -0.24 105.19 121.41 1ups n GLY 188 Ca -0.14 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1ups n GLY 188 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ups n TRP 189 N -1.75 0.00 1.81 1.61 7.02 -1.26 -1.34 117.44 123.53 1ups n TRP 189 Ca 0.05 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.69 1ups n TRP 189 Cb 0.38 0.00 0.85 0.00 -2.42 0.00 0.00 31.31 30.11 1ups n TRP 189 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1ups n ASN 190 N 9.18 0.21 -4.59 -0.99 3.02 -1.26 -4.82 115.26 116.00 1ups n ASN 190 Ca 0.00 -0.89 -0.43 0.00 -0.03 0.00 0.00 54.58 53.23 1ups n ASN 190 Cb 0.00 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 1ups n ASN 190 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ups s ASP 191 N -2.12 6.63 0.12 6.41 3.68 -0.45 -4.59 116.67 126.34 1ups s ASP 191 Ca 0.42 0.44 0.22 0.00 2.13 0.00 0.00 52.55 55.76 1ups s ASP 191 Cb 0.21 -2.49 0.88 0.00 -1.45 0.00 0.00 42.92 40.07 1ups s ASP 191 CO 0.39 -1.01 1.68 -0.81 0.13 0.00 0.00 175.17 175.54 1ups n PRO 192 N 7.15 0.11 -0.07 4.34 -0.04 -1.26 -3.45 135.00 141.77 1ups n PRO 192 Ca 0.08 0.26 0.09 0.00 -0.04 0.00 0.00 63.50 63.90 1ups n PRO 192 Cb 0.48 -1.67 0.12 0.00 -0.04 0.00 0.00 33.50 32.39 1ups n PRO 192 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ups n ASN 193 N -1.87 2.80 -3.69 3.54 3.02 -1.26 -4.86 115.26 112.94 1ups n ASN 193 Ca 0.04 -1.83 -0.19 0.00 -0.03 0.00 0.00 54.58 52.56 1ups n ASN 193 Cb 0.26 -0.09 -0.18 0.00 -0.61 0.00 0.00 39.78 39.16 1ups n ASN 193 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1ups s PHE 194 N -1.43 0.08 -1.06 3.10 2.19 -1.22 -4.79 117.98 114.85 1ups s PHE 194 Ca 0.26 0.22 -0.21 0.00 0.33 0.00 0.00 56.93 57.53 1ups s PHE 194 Cb 0.17 -0.45 0.03 0.00 -1.31 0.00 0.00 43.02 41.46 1ups s PHE 194 CO 0.24 -0.18 0.65 0.94 1.83 0.00 0.00 175.22 178.71 1ups n GLN 195 N 5.09 -0.78 0.00 10.12 -0.06 -1.26 -2.82 117.38 127.66 1ups n GLN 195 Ca -0.08 0.36 0.11 0.00 -2.00 0.00 0.00 57.00 55.39 1ups n GLN 195 Cb 0.50 -2.47 0.57 0.00 -4.06 0.00 0.00 30.24 24.78 1ups n GLN 195 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1ups n THR 196 N -4.06 0.29 -4.40 1.69 -2.24 -1.26 -1.07 114.28 103.23 1ups n THR 196 Ca -0.19 0.07 -0.25 0.00 -2.27 0.00 0.00 64.05 61.41 1ups n THR 196 Cb 0.62 -0.69 -0.13 0.00 -2.10 0.00 0.00 70.33 68.02 1ups n THR 196 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ups s SER 197 N -2.59 2.57 0.34 3.42 0.01 -1.26 -4.88 113.70 111.31 1ups s SER 197 Ca 0.21 -0.64 -0.28 0.00 1.31 0.00 0.00 55.95 56.55 1ups s SER 197 Cb 0.15 -0.16 -0.12 0.00 0.21 0.00 0.00 66.02 66.10 1ups s SER 197 CO 0.35 0.10 1.32 0.79 0.41 0.00 0.00 173.24 176.21 1ups n TRP 198 N 1.31 2.36 -5.05 2.43 7.02 -1.26 -4.78 117.44 119.46 1ups n TRP 198 Ca -0.19 0.53 -0.29 0.00 -1.02 0.00 0.00 57.50 56.53 1ups n TRP 198 Cb 0.53 -2.43 -0.16 0.00 -2.42 0.00 0.00 31.31 26.83 1ups n TRP 198 CO 0.00 0.00 0.00 -0.08 -2.02 0.00 0.00 177.69 175.59 1ups s THR 199 N -1.02 1.77 -0.08 -0.99 -1.32 -0.84 -5.01 115.64 108.16 1ups s THR 199 Ca 0.56 -0.89 -0.04 0.00 -1.21 0.00 0.00 61.69 60.11 1ups s THR 199 Cb -0.56 -1.52 0.04 0.00 -1.51 0.00 0.00 72.50 68.95 1ups s THR 199 CO 0.61 0.50 0.19 -0.63 -2.21 0.00 0.00 174.62 173.08 1ups s ILE 200 N 0.10 -0.04 0.06 5.08 1.01 -1.26 -1.59 121.20 124.55 1ups s ILE 200 Ca -0.08 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.72 1ups s ILE 200 Cb -0.14 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 42.00 1ups s ILE 200 CO 0.04 0.06 -0.05 -0.94 0.00 0.00 0.00 174.94 174.06 1ups s SER 201 N 1.09 0.72 -0.40 3.58 1.04 -0.46 -5.02 113.70 114.25 1ups s SER 201 Ca -0.08 -0.87 0.09 0.00 0.48 0.00 0.00 55.95 55.57 1ups s SER 201 Cb -0.10 0.13 0.29 0.00 0.10 0.00 0.00 66.02 66.44 1ups s SER 201 CO -0.06 -0.46 0.66 -1.84 0.98 0.00 0.00 173.24 172.52 1ups n GLU 202 N 0.46 0.83 -1.62 4.02 0.28 -1.26 -1.24 120.64 122.11 1ups n GLU 202 Ca -0.16 -3.07 -0.34 0.00 -0.16 0.00 0.00 57.16 53.43 1ups n GLU 202 Cb 0.59 -1.40 0.07 0.00 1.43 0.00 0.00 31.44 32.13 1ups n GLU 202 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1ups s ASP 203 N -1.67 4.70 0.27 -1.84 -0.00 -1.24 -4.59 116.67 112.30 1ups s ASP 203 Ca 0.36 2.16 -0.29 0.00 -0.00 0.00 0.00 52.55 54.77 1ups s ASP 203 Cb 0.25 -2.57 -0.10 0.00 -0.00 0.00 0.00 42.92 40.50 1ups s ASP 203 CO -0.11 -1.91 1.29 -0.54 -0.00 0.00 0.00 175.17 173.90 1ups s LYS 204 N -4.00 4.40 0.51 8.23 1.02 -1.26 -1.76 119.74 126.87 1ups s LYS 204 Ca 0.70 2.11 -0.22 0.00 0.02 0.00 0.00 55.97 58.58 1ups s LYS 204 Cb -0.24 -3.14 -0.06 0.00 -0.52 0.00 0.00 37.83 33.87 1ups s LYS 204 CO 0.43 -0.18 1.22 0.14 -0.92 0.00 0.00 175.35 176.04 1ups s VAL 205 N -0.59 2.78 -0.28 3.17 -7.23 0.04 -4.89 120.40 113.41 1ups s VAL 205 Ca 0.52 0.56 0.28 0.00 -1.81 0.00 0.00 61.98 61.53 1ups s VAL 205 Cb -0.38 -3.27 0.33 0.00 0.56 0.00 0.00 36.38 33.63 1ups s VAL 205 CO 0.45 -0.03 1.81 1.55 -0.31 0.00 0.00 175.10 178.56 1ups h PRO 206 N 1.64 0.00 -2.69 4.82 0.13 -1.95 -3.46 132.00 130.48 1ups h PRO 206 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1ups h PRO 206 Cb 1.27 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.26 1ups h PRO 206 CO 0.58 0.00 0.25 -1.54 -0.23 0.00 0.00 178.00 177.06 1ups s SER 207 N -5.33 -0.56 0.00 1.44 1.04 -1.26 -5.17 113.70 103.86 1ups s SER 207 Ca 0.05 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.62 1ups s SER 207 Cb 0.09 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1ups s SER 207 CO 0.55 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1ups n GLY 208 N -0.09 -1.20 2.78 7.32 0.00 -1.26 -4.86 105.19 107.88 1ups n GLY 208 Ca -0.16 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 1ups n GLY 208 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ups s ASP 209 N -2.85 3.86 0.60 1.61 3.68 -1.26 -5.01 116.67 117.29 1ups s ASP 209 Ca 0.00 -2.71 0.29 0.00 2.13 0.00 0.00 52.55 52.26 1ups s ASP 209 Cb 0.00 -1.21 1.57 0.00 -1.45 0.00 0.00 42.92 41.83 1ups s ASP 209 CO 0.00 -0.26 1.98 -0.65 0.13 0.00 0.00 175.17 176.37 1ups h PRO 210 N 6.70 0.00 -0.01 4.34 0.11 -1.84 -2.05 132.00 139.25 1ups h PRO 210 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1ups h PRO 210 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1ups h PRO 210 CO 0.54 0.00 -0.11 0.25 -0.21 0.00 0.00 178.00 178.47 1ups n THR 211 N -3.65 0.00 -0.27 -1.15 -2.24 -1.26 -1.75 114.28 103.95 1ups n THR 211 Ca 0.05 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1ups n THR 211 Cb 0.50 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 1ups n THR 211 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ups n SER 212 N -0.06 0.56 -4.05 3.42 3.41 -0.81 -4.22 113.62 111.88 1ups n SER 212 Ca 0.16 -0.89 -0.12 0.00 -0.26 0.00 0.00 58.87 57.76 1ups n SER 212 Cb 0.37 0.11 -0.11 0.00 -0.26 0.00 0.00 64.21 64.32 1ups n SER 212 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1ups s GLU 213 N -0.11 0.49 0.12 4.33 2.02 -0.96 -4.95 118.70 119.63 1ups s GLU 213 Ca 0.00 -0.77 -0.30 0.00 0.02 0.00 0.00 54.97 53.92 1ups s GLU 213 Cb 0.00 -0.16 -0.06 0.00 0.10 0.00 0.00 34.13 34.01 1ups s GLU 213 CO 0.00 0.01 1.09 0.71 0.02 0.00 0.00 175.26 177.10 1ups s TYR 214 N -1.62 3.59 0.19 1.61 2.02 -1.26 -4.26 117.35 117.61 1ups s TYR 214 Ca -0.10 1.56 0.03 0.00 -0.37 0.00 0.00 57.07 58.20 1ups s TYR 214 Cb -0.08 -3.27 -0.05 0.00 -0.40 0.00 0.00 41.96 38.16 1ups s TYR 214 CO -0.01 -0.60 -0.03 -1.01 -1.57 0.00 0.00 175.55 172.33 1ups s HIS 215 N 0.27 1.35 -0.19 2.71 3.76 -0.33 -0.96 115.29 121.91 1ups s HIS 215 Ca 0.52 -0.90 -0.07 0.00 -0.15 0.00 0.00 55.06 54.45 1ups s HIS 215 Cb -0.28 -0.75 -0.04 0.00 1.11 0.00 0.00 32.58 32.62 1ups s HIS 215 CO 0.32 -0.06 0.06 0.42 -0.85 0.00 0.00 174.74 174.63 1ups s ILE 216 N -3.47 4.70 -0.08 0.60 1.01 -1.26 -1.07 121.20 121.63 1ups s ILE 216 Ca 0.23 -0.06 0.05 0.00 0.00 0.00 0.00 60.65 60.86 1ups s ILE 216 Cb 0.05 -3.12 -0.00 0.00 0.01 0.00 0.00 42.46 39.39 1ups s ILE 216 CO 0.04 0.45 -0.24 -0.31 0.00 0.00 0.00 174.94 174.88 1ups s TYR 217 N 0.52 2.52 0.02 3.97 1.51 -0.30 -0.70 117.35 124.90 1ups s TYR 217 Ca 0.03 -0.92 -0.08 0.00 -1.01 0.00 0.00 57.07 55.09 1ups s TYR 217 Cb -0.13 -1.67 0.00 0.00 -0.11 0.00 0.00 41.96 40.05 1ups s TYR 217 CO 0.01 -0.34 0.16 0.00 -1.11 0.00 0.00 175.55 174.27 1ups s ALA 218 N 0.15 -0.29 -0.06 3.71 0.00 -0.41 -0.96 121.76 123.89 1ups s ALA 218 Ca -0.13 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.57 1ups s ALA 218 Cb -0.16 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.18 1ups s ALA 218 CO 0.07 -0.29 -0.07 1.41 0.00 0.00 0.00 175.76 176.87 1ups s MET 219 N -2.11 1.21 -0.29 0.00 1.75 -0.09 -0.39 119.30 119.38 1ups s MET 219 Ca -0.09 -0.22 -0.11 0.00 -1.25 0.00 0.00 55.69 54.02 1ups s MET 219 Cb -0.04 -1.12 -0.04 0.00 2.84 0.00 0.00 34.83 36.47 1ups s MET 219 CO -0.02 -0.07 0.18 -2.00 -0.65 0.00 0.00 175.02 172.46 1ups s GLU 220 N 0.94 3.82 -0.31 4.11 2.12 0.91 -0.38 118.70 129.91 1ups s GLU 220 Ca -0.10 -0.40 -0.06 0.00 0.36 0.00 0.00 54.97 54.76 1ups s GLU 220 Cb -0.15 -3.63 0.03 0.00 0.26 0.00 0.00 34.13 30.64 1ups s GLU 220 CO 0.00 -0.23 0.08 -0.46 -0.54 0.00 0.00 175.26 174.11 1ups s TRP 221 N 1.73 3.20 0.46 5.30 -0.00 0.09 -1.05 118.94 128.67 1ups s TRP 221 Ca 0.07 -1.28 0.05 0.00 -0.00 0.00 0.00 56.10 54.94 1ups s TRP 221 Cb -0.16 -2.24 -0.04 0.00 -0.00 0.00 0.00 33.47 31.03 1ups s TRP 221 CO 0.10 -0.67 0.07 0.95 -0.00 0.00 0.00 176.95 177.40 1ups s THR 222 N 1.43 1.71 0.18 5.86 -4.23 -0.44 -1.11 115.64 119.03 1ups s THR 222 Ca -0.00 -1.90 0.29 0.00 -1.18 0.00 0.00 61.69 58.91 1ups s THR 222 Cb -0.18 -2.61 0.29 0.00 1.34 0.00 0.00 72.50 71.34 1ups s THR 222 CO 0.02 0.00 1.89 -0.65 -0.54 0.00 0.00 174.62 175.34 1ups h PRO 223 N 1.46 0.00 0.00 3.99 0.11 -1.90 -3.15 132.00 132.51 1ups h PRO 223 Ca -0.43 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.34 1ups h PRO 223 Cb 1.28 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.32 1ups h PRO 223 CO 0.74 0.00 -2.30 2.41 -0.21 0.00 0.00 178.00 178.65 1ups n THR 224 N -2.56 1.30 -3.65 -1.15 -1.04 -1.26 -4.60 114.28 101.31 1ups n THR 224 Ca -0.02 -0.69 -0.07 0.00 -2.04 0.00 0.00 64.05 61.23 1ups n THR 224 Cb 0.10 -0.80 -0.02 0.00 -1.82 0.00 0.00 70.33 67.79 1ups n THR 224 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ups s ALA 225 N -2.46 -1.59 -0.20 2.41 0.00 -1.19 -0.87 121.76 117.86 1ups s ALA 225 Ca -0.17 0.32 -0.04 0.00 0.00 0.00 0.00 51.96 52.07 1ups s ALA 225 Cb 0.06 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 1ups s ALA 225 CO 0.68 -0.91 -0.04 -0.51 0.00 0.00 0.00 175.76 174.99 1ups s LEU 226 N -2.79 2.98 -0.12 0.00 1.43 0.53 -1.33 118.68 119.38 1ups s LEU 226 Ca 0.08 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 1ups s LEU 226 Cb -0.02 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.46 1ups s LEU 226 CO -0.02 0.03 -0.21 -0.54 0.23 0.00 0.00 176.35 175.83 1ups s LYS 227 N 1.20 2.87 -0.12 1.70 1.02 -0.22 -0.55 119.74 125.65 1ups s LYS 227 Ca 0.03 -0.81 -0.02 0.00 0.02 0.00 0.00 55.97 55.19 1ups s LYS 227 Cb -0.14 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 34.86 1ups s LYS 227 CO -0.01 0.04 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.34 1ups s PHE 228 N 0.68 2.96 -0.06 3.18 0.08 0.32 -0.06 117.98 125.07 1ups s PHE 228 Ca -0.11 -0.25 0.04 0.00 0.12 0.00 0.00 56.93 56.73 1ups s PHE 228 Cb -0.16 -1.85 -0.00 0.00 -0.57 0.00 0.00 43.02 40.43 1ups s PHE 228 CO 0.02 0.06 -0.19 0.71 -0.10 0.00 0.00 175.22 175.71 1ups s TYR 229 N -0.04 1.99 -0.21 0.36 2.02 0.48 -0.39 117.35 121.57 1ups s TYR 229 Ca 0.00 -0.67 -0.03 0.00 -0.37 0.00 0.00 57.07 56.00 1ups s TYR 229 Cb -0.13 -1.35 -0.00 0.00 -0.40 0.00 0.00 41.96 40.07 1ups s TYR 229 CO 0.03 -0.26 -0.07 -0.47 -1.57 0.00 0.00 175.55 173.21 1ups s TYR 230 N 0.20 2.92 -1.54 2.71 5.04 -0.26 -1.28 117.35 125.14 1ups s TYR 230 Ca -0.10 -1.02 -0.07 0.00 -2.44 0.00 0.00 57.07 53.45 1ups s TYR 230 Cb -0.14 -2.06 0.06 0.00 0.35 0.00 0.00 41.96 40.17 1ups s TYR 230 CO 0.04 -0.56 0.49 -0.25 -1.34 0.00 0.00 175.55 173.94 1ups n ASP 231 N 4.66 -1.19 -0.06 4.32 10.43 0.12 -1.72 116.55 133.12 1ups n ASP 231 Ca -0.19 -1.05 -0.01 0.00 2.57 0.00 0.00 54.79 56.12 1ups n ASP 231 Cb 0.51 -2.73 -0.00 0.00 1.84 0.00 0.00 41.12 40.73 1ups n ASP 231 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1ups n ASN 232 N -2.85 -4.11 -4.29 -2.24 3.02 -1.26 -5.02 115.26 98.50 1ups n ASN 232 Ca -0.17 0.02 -0.32 0.00 -0.03 0.00 0.00 54.58 54.08 1ups n ASN 232 Cb 0.62 -1.68 -0.16 0.00 -0.61 0.00 0.00 39.78 37.95 1ups n ASN 232 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1ups s GLU 233 N -0.93 2.57 0.26 3.52 2.12 -0.70 -5.07 118.70 120.47 1ups s GLU 233 Ca 0.00 -0.88 -0.31 0.00 0.36 0.00 0.00 54.97 54.14 1ups s GLU 233 Cb 0.00 -2.20 -0.12 0.00 0.26 0.00 0.00 34.13 32.07 1ups s GLU 233 CO 0.00 0.40 1.67 -0.11 -0.54 0.00 0.00 175.26 176.68 1ups n LEU 234 N 2.90 4.24 0.00 2.70 7.94 -1.26 -1.10 117.00 132.42 1ups n LEU 234 Ca -0.17 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.83 1ups n LEU 234 Cb 0.52 -1.59 0.00 0.00 0.53 0.00 0.00 43.42 42.88 1ups n LEU 234 CO 0.26 0.19 -0.40 0.33 -1.11 0.00 0.00 177.39 176.66 1ups n PHE 235 N 3.02 0.00 -3.62 1.96 7.35 0.48 -4.65 117.46 122.00 1ups n PHE 235 Ca 0.12 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.65 1ups n PHE 235 Cb 0.36 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.12 1ups n PHE 235 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1ups s LYS 236 N -1.80 0.88 -0.03 -4.13 2.20 -1.09 -4.61 119.74 111.16 1ups s LYS 236 Ca 0.00 0.25 0.02 0.00 -0.36 0.00 0.00 55.97 55.88 1ups s LYS 236 Cb 0.00 0.41 0.01 0.00 -1.51 0.00 0.00 37.83 36.74 1ups s LYS 236 CO 0.00 -0.24 -0.08 0.54 -0.36 0.00 0.00 175.35 175.21 1ups s VAL 237 N -0.92 0.72 -0.17 4.02 0.11 -1.26 -0.53 120.40 122.38 1ups s VAL 237 Ca -0.09 -0.29 0.01 0.00 -2.93 0.00 0.00 61.98 58.68 1ups s VAL 237 Cb -0.02 -0.66 0.02 0.00 -1.53 0.00 0.00 36.38 34.18 1ups s VAL 237 CO 0.07 0.24 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.24 1ups s ILE 238 N 0.41 2.06 -0.04 7.04 1.01 0.29 -5.00 121.20 126.97 1ups s ILE 238 Ca -0.06 -0.95 -0.21 0.00 0.00 0.00 0.00 60.65 59.43 1ups s ILE 238 Cb -0.10 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.47 1ups s ILE 238 CO 0.01 0.54 0.61 -0.31 0.00 0.00 0.00 174.94 175.79 1ups s TYR 239 N 1.14 3.62 0.00 3.97 2.02 -1.26 -0.35 117.35 126.49 1ups s TYR 239 Ca 0.01 1.17 0.00 0.00 -0.37 0.00 0.00 57.07 57.88 1ups s TYR 239 Cb -0.14 -2.66 0.00 0.00 -0.40 0.00 0.00 41.96 38.76 1ups s TYR 239 CO -0.09 0.24 0.00 0.41 -1.57 0.00 0.00 175.55 174.54 1ups n GLY 240 N 2.78 2.54 3.50 0.71 0.00 -0.05 -4.70 105.19 109.98 1ups n GLY 240 Ca -0.05 -1.69 -0.16 0.00 0.00 0.00 0.00 46.02 44.12 1ups n GLY 240 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ups s SER 241 N 0.00 -0.62 0.60 1.61 1.04 -1.26 -3.91 113.70 111.16 1ups s SER 241 Ca 0.00 0.55 -0.19 0.00 0.48 0.00 0.00 55.95 56.79 1ups s SER 241 Cb 0.00 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1ups s SER 241 CO 0.00 -0.66 1.28 -2.84 0.98 0.00 0.00 173.24 172.00 1ups s PRO 242 N -1.71 2.86 -0.36 4.02 0.02 -1.26 -4.90 135.00 133.67 1ups s PRO 242 Ca -0.08 2.03 0.06 0.00 0.02 0.00 0.00 61.00 63.04 1ups s PRO 242 Cb -0.00 -2.00 0.44 0.00 0.02 0.00 0.00 34.50 32.96 1ups s PRO 242 CO 0.05 -1.35 1.15 -0.40 -0.33 0.00 0.00 177.00 176.12 1ups n ASP 243 N -1.54 4.78 -3.90 2.53 5.75 -1.26 -4.92 116.55 117.99 1ups n ASP 243 Ca 0.14 -3.72 -0.08 0.00 -0.01 0.00 0.00 54.79 51.11 1ups n ASP 243 Cb 0.48 -0.40 -0.04 0.00 -1.03 0.00 0.00 41.12 40.13 1ups n ASP 243 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1ups s TYR 244 N -3.57 0.09 0.45 2.11 -0.85 -1.26 -5.14 117.35 109.18 1ups s TYR 244 Ca 0.49 -0.48 -0.23 0.00 -0.52 0.00 0.00 57.07 56.33 1ups s TYR 244 Cb 0.40 0.40 -0.07 0.00 0.38 0.00 0.00 41.96 43.07 1ups s TYR 244 CO -0.07 -1.06 1.17 -1.21 -1.52 0.00 0.00 175.55 172.86 1ups s GLU 245 N -3.96 3.79 0.07 -3.49 2.02 -1.26 -4.57 118.70 111.30 1ups s GLU 245 Ca 0.16 1.79 0.05 0.00 0.02 0.00 0.00 54.97 57.00 1ups s GLU 245 Cb -0.03 -2.44 -0.03 0.00 0.10 0.00 0.00 34.13 31.73 1ups s GLU 245 CO 0.06 -0.53 -0.15 -1.64 0.02 0.00 0.00 175.26 173.02 1ups s MET 246 N -2.65 0.86 0.35 1.61 -1.94 -0.50 -1.85 119.30 115.18 1ups s MET 246 Ca 0.63 -0.96 0.07 0.00 -1.71 0.00 0.00 55.69 53.72 1ups s MET 246 Cb -0.29 -0.90 -0.02 0.00 2.01 0.00 0.00 34.83 35.63 1ups s MET 246 CO 0.35 0.20 0.37 0.20 -0.01 0.00 0.00 175.02 176.14 1ups s GLY 247 N -1.71 1.80 -0.04 -0.03 0.00 0.17 -2.45 107.32 105.06 1ups s GLY 247 Ca -0.01 -1.64 0.05 0.00 0.00 0.00 0.00 44.72 43.12 1ups s GLY 247 CO 0.02 -1.54 -0.19 -1.59 0.00 0.00 0.00 173.10 169.81 1ups s THR 248 N -2.30 2.66 -0.04 0.90 2.01 -1.26 -1.58 115.64 116.03 1ups s THR 248 Ca 0.44 -0.87 0.05 0.00 0.31 0.00 0.00 61.69 61.62 1ups s THR 248 Cb -0.07 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.43 1ups s THR 248 CO 0.28 0.58 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.98 1ups s ILE 249 N -0.61 1.57 -0.15 1.82 1.01 0.20 -0.68 121.20 124.36 1ups s ILE 249 Ca 0.09 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.95 1ups s ILE 249 Cb -0.11 -1.34 0.02 0.00 0.01 0.00 0.00 42.46 41.04 1ups s ILE 249 CO 0.00 0.45 -0.15 -0.76 0.00 0.00 0.00 174.94 174.48 1ups s LEU 250 N -0.05 1.72 0.30 2.97 1.43 -0.57 -1.50 118.68 122.99 1ups s LEU 250 Ca -0.03 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.43 1ups s LEU 250 Cb -0.12 -1.19 0.02 0.00 0.03 0.00 0.00 46.19 44.93 1ups s LEU 250 CO 0.02 -0.04 0.62 0.54 0.23 0.00 0.00 176.35 177.72 1ups s ASN 251 N 1.40 -0.02 0.02 2.29 4.22 -0.38 -1.17 114.94 121.30 1ups s ASN 251 Ca 0.03 -0.92 0.00 0.00 -2.14 0.00 0.00 52.86 49.83 1ups s ASN 251 Cb -0.13 0.70 -0.01 0.00 1.28 0.00 0.00 41.25 43.08 1ups s ASN 251 CO -0.10 -1.34 -0.02 -0.51 -2.04 0.00 0.00 177.10 173.09 1ups s ILE 252 N -3.54 0.09 0.07 0.54 2.07 -0.94 -0.41 121.20 119.09 1ups s ILE 252 Ca 0.18 -0.68 0.03 0.00 -1.41 0.00 0.00 60.65 58.77 1ups s ILE 252 Cb -0.03 -0.20 -0.03 0.00 0.13 0.00 0.00 42.46 42.32 1ups s ILE 252 CO 0.10 -0.37 -0.09 -0.31 -1.91 0.00 0.00 174.94 172.36 1ups s TYR 253 N -1.08 0.92 0.19 3.50 1.51 0.29 -2.04 117.35 120.63 1ups s TYR 253 Ca -0.12 -0.60 -0.07 0.00 -1.01 0.00 0.00 57.07 55.27 1ups s TYR 253 Cb -0.07 -0.52 -0.02 0.00 -0.11 0.00 0.00 41.96 41.23 1ups s TYR 253 CO -0.01 -0.04 0.27 -0.08 -1.11 0.00 0.00 175.55 174.58 1ups s THR 254 N -2.02 0.04 -1.56 -0.71 -1.32 -0.80 -2.29 115.64 106.98 1ups s THR 254 Ca -0.01 -1.57 0.00 0.00 -1.21 0.00 0.00 61.69 58.90 1ups s THR 254 Cb -0.06 -2.07 0.00 0.00 -1.51 0.00 0.00 72.50 68.86 1ups s THR 254 CO -0.00 -0.19 0.00 0.47 -2.21 0.00 0.00 174.62 172.69 1ups n ASP 255 N -0.25 -5.20 0.00 8.08 10.43 -1.03 -1.92 116.55 126.66 1ups n ASP 255 Ca -0.04 0.03 0.00 0.00 2.57 0.00 0.00 54.79 57.35 1ups n ASP 255 Cb 0.63 -4.28 0.00 0.00 1.84 0.00 0.00 41.12 39.31 1ups n ASP 255 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ups n ALA 256 N -1.56 0.00 0.32 2.24 0.00 -1.24 -4.03 120.51 116.24 1ups n ALA 256 Ca -0.21 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.37 1ups n ALA 256 Cb 0.65 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.74 1ups n ALA 256 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ups h GLY 257 N 0.00 0.00 -0.36 0.00 0.00 -2.01 -1.46 103.07 99.25 1ups h GLY 257 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ups h GLY 257 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 1ups n SER 258 N -2.56 0.76 0.00 0.19 3.41 -1.26 -5.00 113.62 109.16 1ups n SER 258 Ca 0.01 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 1ups n SER 258 Cb 0.20 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1ups n SER 258 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ups n GLY 259 N 0.81 2.90 3.78 5.00 0.00 -0.55 -1.68 105.19 115.44 1ups n GLY 259 Ca 0.08 -1.88 -0.37 0.00 0.00 0.00 0.00 46.02 43.85 1ups n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ups s ALA 260 N -2.68 3.03 0.41 4.61 0.00 -1.26 -2.45 121.76 123.42 1ups s ALA 260 Ca 0.00 0.83 -0.26 0.00 0.00 0.00 0.00 51.96 52.53 1ups s ALA 260 Cb 0.00 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 1ups s ALA 260 CO 0.00 -0.44 1.27 -2.39 0.00 0.00 0.00 175.76 174.19 1ups n HIS 261 N -0.27 2.13 -1.40 0.00 1.44 -1.26 -1.75 115.22 114.11 1ups n HIS 261 Ca 0.06 0.51 0.00 0.00 -2.01 0.00 0.00 57.72 56.28 1ups n HIS 261 Cb 0.49 -2.38 0.00 0.00 0.12 0.00 0.00 29.99 28.22 1ups n HIS 261 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1ups n ASN 262 N 0.30 0.00 -1.66 4.39 0.23 -1.26 -4.73 115.26 112.53 1ups n ASN 262 Ca 0.06 -0.89 0.07 0.00 -0.53 0.00 0.00 54.58 53.29 1ups n ASN 262 Cb 0.39 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.45 1ups n ASN 262 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1ups n ASP 263 N -2.68 4.95 -4.59 0.53 10.43 -1.26 -4.85 116.55 119.08 1ups n ASP 263 Ca 0.00 -2.66 -0.39 0.00 2.57 0.00 0.00 54.79 54.31 1ups n ASP 263 Cb 0.00 -0.62 -0.10 0.00 1.84 0.00 0.00 41.12 42.24 1ups n ASP 263 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1ups s VAL 264 N -2.27 5.22 0.13 2.53 1.01 -1.26 -5.07 120.40 120.68 1ups s VAL 264 Ca 0.49 0.33 0.06 0.00 0.00 0.00 0.00 61.98 62.86 1ups s VAL 264 Cb 0.35 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1ups s VAL 264 CO 0.18 0.14 -0.13 0.26 0.00 0.00 0.00 175.10 175.55 1ups s TRP 265 N 1.96 1.37 0.83 5.22 0.52 -1.26 -4.37 118.94 123.22 1ups s TRP 265 Ca 0.12 -0.58 -0.12 0.00 0.02 0.00 0.00 56.10 55.54 1ups s TRP 265 Cb -0.16 -0.71 0.09 0.00 -1.15 0.00 0.00 33.47 31.54 1ups s TRP 265 CO 0.11 0.14 1.11 -2.14 0.02 0.00 0.00 176.95 176.18 1ups s PRO 266 N -2.84 1.78 -0.23 4.98 0.02 -1.26 -5.07 135.00 132.38 1ups s PRO 266 Ca 0.10 0.57 -0.28 0.00 0.02 0.00 0.00 61.00 61.41 1ups s PRO 266 Cb -0.04 -1.89 0.01 0.00 0.02 0.00 0.00 34.50 32.60 1ups s PRO 266 CO 0.03 -1.82 0.99 0.15 -0.33 0.00 0.00 177.00 176.02 1ups s LYS 267 N -5.16 4.25 -0.01 5.54 -0.14 -0.74 -4.90 119.74 118.58 1ups s LYS 267 Ca 0.62 1.27 -0.17 0.00 -1.36 0.00 0.00 55.97 56.33 1ups s LYS 267 Cb -0.15 -3.64 0.03 0.00 -1.68 0.00 0.00 37.83 32.39 1ups s LYS 267 CO 0.54 -0.60 0.36 -1.83 -0.76 0.00 0.00 175.35 173.06 1ups s GLU 268 N 3.08 0.73 0.26 1.68 -1.05 -1.26 -0.57 118.70 121.57 1ups s GLU 268 Ca 0.42 -0.17 0.02 0.00 -0.15 0.00 0.00 54.97 55.09 1ups s GLU 268 Cb -0.15 0.33 -0.04 0.00 -0.44 0.00 0.00 34.13 33.83 1ups s GLU 268 CO 0.07 -0.21 0.15 1.67 0.95 0.00 0.00 175.26 177.89 1ups s TRP 269 N -1.45 1.44 -0.07 4.83 1.48 -1.12 -3.70 118.94 120.35 1ups s TRP 269 Ca -0.12 -1.38 0.01 0.00 -1.06 0.00 0.00 56.10 53.55 1ups s TRP 269 Cb -0.04 -0.73 0.02 0.00 -1.16 0.00 0.00 33.47 31.56 1ups s TRP 269 CO 0.04 -0.58 -0.08 0.00 -4.06 0.00 0.00 176.95 172.27 1ups s ALA 270 N -3.83 1.04 -0.22 2.67 0.00 -0.59 -3.09 121.76 117.75 1ups s ALA 270 Ca 0.38 -0.30 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 1ups s ALA 270 Cb 0.06 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.60 1ups s ALA 270 CO 0.16 -0.06 -0.09 0.42 0.00 0.00 0.00 175.76 176.18 1ups s ILE 271 N 1.02 2.79 0.06 0.00 1.01 0.55 -1.11 121.20 125.51 1ups s ILE 271 Ca -0.09 -0.86 -0.17 0.00 0.00 0.00 0.00 60.65 59.54 1ups s ILE 271 Cb -0.14 -2.32 -0.17 0.00 0.01 0.00 0.00 42.46 39.83 1ups s ILE 271 CO -0.00 0.35 1.25 -0.78 0.00 0.00 0.00 174.94 175.75 1ups h ASP 272 N 8.02 0.70 -4.88 3.58 -0.00 -0.92 -0.13 116.42 122.79 1ups h ASP 272 Ca -0.38 -0.64 0.04 0.00 -0.00 0.00 0.00 57.03 56.05 1ups h ASP 272 Cb 1.13 -0.21 -0.13 0.00 -0.00 0.00 0.00 39.33 40.13 1ups h ASP 272 CO 0.60 1.22 0.33 -0.72 -0.00 0.00 0.00 179.24 180.67 1ups s TYR 273 N -3.70 -0.44 -0.06 0.28 -0.85 -1.24 -4.10 117.35 107.25 1ups s TYR 273 Ca -0.12 0.24 0.03 0.00 -0.52 0.00 0.00 57.07 56.70 1ups s TYR 273 Cb 0.06 0.56 0.01 0.00 0.38 0.00 0.00 41.96 42.97 1ups s TYR 273 CO 0.84 -0.75 -0.13 1.41 -1.52 0.00 0.00 175.55 175.41 1ups s MET 274 N -3.51 1.61 0.02 -3.49 1.75 -0.33 -2.55 119.30 112.80 1ups s MET 274 Ca 0.03 -0.43 0.02 0.00 -1.25 0.00 0.00 55.69 54.06 1ups s MET 274 Cb -0.01 -1.36 -0.01 0.00 2.84 0.00 0.00 34.83 36.29 1ups s MET 274 CO -0.10 0.08 -0.07 1.03 -0.65 0.00 0.00 175.02 175.30 1ups s ARG 275 N 0.49 0.51 -0.07 4.11 0.52 -0.12 -0.84 118.95 123.55 1ups s ARG 275 Ca -0.11 -0.44 0.01 0.00 -0.52 0.00 0.00 55.73 54.67 1ups s ARG 275 Cb -0.14 -0.42 0.02 0.00 0.52 0.00 0.00 34.95 34.93 1ups s ARG 275 CO 0.03 0.10 -0.09 0.08 0.02 0.00 0.00 175.30 175.44 1ups s VAL 276 N -0.63 0.94 0.19 3.52 1.01 0.21 -0.65 120.40 124.98 1ups s VAL 276 Ca -0.02 -0.33 0.09 0.00 0.00 0.00 0.00 61.98 61.72 1ups s VAL 276 Cb -0.05 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1ups s VAL 276 CO 0.00 0.32 -0.11 0.26 0.00 0.00 0.00 175.10 175.58 1ups s TRP 277 N 1.00 2.60 -0.02 5.22 0.51 -0.09 -0.18 118.94 127.98 1ups s TRP 277 Ca -0.09 -0.24 0.08 0.00 -2.12 0.00 0.00 56.10 53.73 1ups s TRP 277 Cb -0.15 -1.26 -0.02 0.00 -0.81 0.00 0.00 33.47 31.23 1ups s TRP 277 CO -0.00 0.52 -0.26 0.15 -0.51 0.00 0.00 176.95 176.85 1ups s LYS 278 N -2.87 2.12 0.28 4.98 -0.14 0.02 -1.09 119.74 123.05 1ups s LYS 278 Ca 0.25 -0.92 -0.30 0.00 -1.36 0.00 0.00 55.97 53.64 1ups s LYS 278 Cb -0.08 -2.05 -0.10 0.00 -1.68 0.00 0.00 37.83 33.91 1ups s LYS 278 CO 0.15 0.56 1.40 -1.25 -0.76 0.00 0.00 175.35 175.45 1ups s PRO 279 N -0.62 4.29 0.38 -1.68 0.04 -1.26 -0.48 135.00 135.67 1ups s PRO 279 Ca 0.10 2.28 0.05 0.00 0.04 0.00 0.00 61.00 63.47 1ups s PRO 279 Cb -0.10 -3.09 0.77 0.00 0.04 0.00 0.00 34.50 32.11 1ups s PRO 279 CO -0.01 -0.35 2.02 -0.39 0.04 0.00 0.00 177.00 178.31 1ups h VAL 280 N 3.37 1.10 -0.72 -0.36 -1.51 -1.38 -2.70 116.25 114.06 1ups h VAL 280 Ca -0.47 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.76 1ups h VAL 280 Cb 1.22 0.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 1ups h VAL 280 CO 0.73 0.13 0.00 0.47 -1.23 0.00 0.00 177.57 177.67 1ups n ASP 281 N -4.46 3.92 -0.50 4.19 8.00 -1.26 -5.07 116.55 121.36 1ups n ASP 281 Ca 0.06 -2.00 0.07 0.00 0.71 0.00 0.00 54.79 53.62 1ups n ASP 281 Cb 0.10 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 40.70 1ups n ASP 281 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ups n GLY 282 N 1.59 -1.69 3.82 0.44 0.00 -1.02 -4.93 105.19 103.41 1ups n GLY 282 Ca 0.24 -1.39 -0.27 0.00 0.00 0.00 0.00 46.02 44.59 1ups n GLY 282 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ups s TYR 283 N -1.72 3.23 0.30 1.61 2.02 -1.26 -4.87 117.35 116.66 1ups s TYR 283 Ca 0.00 0.04 -0.29 0.00 -0.37 0.00 0.00 57.07 56.45 1ups s TYR 283 Cb 0.00 -1.57 -0.10 0.00 -0.40 0.00 0.00 41.96 39.89 1ups s TYR 283 CO 0.00 0.52 1.34 0.15 -1.57 0.00 0.00 175.55 175.99 1ups s LYS 284 N -2.94 4.34 0.43 -0.62 3.01 -1.26 -4.93 119.74 117.77 1ups s LYS 284 Ca 0.31 2.22 0.24 0.00 -1.01 0.00 0.00 55.97 57.73 1ups s LYS 284 Cb -0.11 -3.09 0.81 0.00 -1.01 0.00 0.00 37.83 34.42 1ups s LYS 284 CO 0.24 -0.25 1.77 1.05 0.51 0.00 0.00 175.35 178.68 1ups h GLU 285 N 4.00 0.00 0.00 1.68 9.09 -1.98 -3.41 114.58 123.96 1ups h GLU 285 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.93 1ups h GLU 285 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.32 1ups h GLU 285 CO 0.70 0.23 0.00 0.45 0.05 0.00 0.00 179.01 180.43 1ups n SER 286 N -3.32 0.00 0.00 3.06 2.88 -1.26 -4.72 113.62 110.25 1ups n SER 286 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1ups n SER 286 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1ups n SER 286 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1ups n LEU 289 N 0.00 0.00 -4.77 2.46 4.77 -1.26 -5.12 117.00 113.08 1ups n LEU 289 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 1ups n LEU 289 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1ups n LEU 289 CO 0.00 0.00 1.09 0.20 -1.33 0.00 0.00 177.39 177.35 1ups s ASN 290 N -3.19 6.09 0.17 -1.43 -0.87 -1.26 -5.04 114.94 109.40 1ups s ASN 290 Ca 0.00 2.95 0.11 0.00 -1.57 0.00 0.00 52.86 54.35 1ups s ASN 290 Cb 0.00 -2.66 -0.04 0.00 -0.02 0.00 0.00 41.25 38.53 1ups s ASN 290 CO 0.00 -1.03 -0.22 0.20 -2.57 0.00 0.00 177.10 173.48 1ups s ASN 291 N -0.38 3.57 0.01 -1.22 0.01 -1.25 -4.59 114.94 111.08 1ups s ASN 291 Ca 0.57 -0.77 0.01 0.00 -0.71 0.00 0.00 52.86 51.97 1ups s ASN 291 Cb -0.44 -0.34 -0.01 0.00 0.41 0.00 0.00 41.25 40.87 1ups s ASN 291 CO 0.58 0.14 -0.05 -0.31 -1.51 0.00 0.00 177.10 175.95 1ups s TYR 292 N -1.47 0.43 0.35 2.20 2.02 0.64 -1.21 117.35 120.31 1ups s TYR 292 Ca 0.19 -0.22 -0.07 0.00 -0.37 0.00 0.00 57.07 56.61 1ups s TYR 292 Cb -0.09 -0.27 -0.05 0.00 -0.40 0.00 0.00 41.96 41.15 1ups s TYR 292 CO 0.10 -0.04 0.66 -0.51 -1.57 0.00 0.00 175.55 174.18 1ups s LEU 293 N -0.59 3.93 -0.17 -1.29 1.43 0.38 -0.50 118.68 121.87 1ups s LEU 293 Ca -0.03 0.88 -0.01 0.00 -1.03 0.00 0.00 54.13 53.94 1ups s LEU 293 Cb -0.04 -3.73 0.04 0.00 0.03 0.00 0.00 46.19 42.48 1ups s LEU 293 CO -0.00 -0.31 -0.05 -0.63 0.23 0.00 0.00 176.35 175.59 1ups s ILE 294 N -2.26 1.09 -0.07 -0.59 1.01 -1.26 -0.62 121.20 118.49 1ups s ILE 294 Ca 0.47 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.52 1ups s ILE 294 Cb -0.10 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 1ups s ILE 294 CO 0.32 0.11 -0.15 -0.60 0.00 0.00 0.00 174.94 174.62 1ups s ARG 295 N 1.64 2.77 0.16 2.79 3.52 -0.57 -1.37 118.95 127.89 1ups s ARG 295 Ca 0.01 -0.72 -0.30 0.00 -0.13 0.00 0.00 55.73 54.59 1ups s ARG 295 Cb -0.15 -2.43 -0.07 0.00 -1.56 0.00 0.00 34.95 30.74 1ups s ARG 295 CO -0.08 0.47 1.09 1.21 -0.81 0.00 0.00 175.30 177.19 1ups s ASN 296 N -0.34 7.28 0.12 -2.12 3.84 0.14 -0.61 114.94 123.25 1ups s ASN 296 Ca 0.03 2.04 -0.15 0.00 0.21 0.00 0.00 52.86 54.99 1ups s ASN 296 Cb -0.13 -2.60 -0.03 0.00 -0.55 0.00 0.00 41.25 37.95 1ups s ASN 296 CO 0.02 -0.22 1.57 -0.09 -2.79 0.00 0.00 177.10 175.59 1ups h ARG 297 N 5.33 0.66 -0.10 0.43 2.43 -1.15 -0.86 114.38 121.12 1ups h ARG 297 Ca -0.44 -0.20 -0.07 0.00 -0.81 0.00 0.00 59.98 58.46 1ups h ARG 297 Cb 1.21 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1ups h ARG 297 CO 0.73 0.75 -0.21 0.37 -1.51 0.00 0.00 179.97 180.10 1ups h GLN 298 N 0.49 0.32 0.00 0.20 5.75 -1.79 -3.35 115.11 116.72 1ups h GLN 298 Ca 0.11 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1ups h GLN 298 Cb 0.45 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.02 1ups h GLN 298 CO 0.02 0.81 -1.42 0.25 -2.65 0.00 0.00 178.83 175.83 1ups n THR 299 N -4.52 0.17 -0.97 2.39 -2.24 -1.25 -4.97 114.28 102.90 1ups n THR 299 Ca -0.07 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1ups n THR 299 Cb 0.42 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1ups n THR 299 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ups n GLY 300 N 1.30 0.29 3.93 3.38 0.00 -0.33 -5.01 105.19 108.76 1ups n GLY 300 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 1ups n GLY 300 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ups s LYS 301 N -0.89 3.48 0.02 1.61 -0.14 -1.26 -4.74 119.74 117.81 1ups s LYS 301 Ca 0.00 -0.14 0.03 0.00 -1.36 0.00 0.00 55.97 54.50 1ups s LYS 301 Cb 0.00 -2.54 -0.04 0.00 -1.68 0.00 0.00 37.83 33.57 1ups s LYS 301 CO 0.00 -0.02 -0.01 -0.06 -0.76 0.00 0.00 175.35 174.50 1ups s PHE 302 N -2.50 3.02 0.14 3.18 0.40 -0.14 -0.68 117.98 121.40 1ups s PHE 302 Ca 0.43 0.04 -0.30 0.00 -0.60 0.00 0.00 56.93 56.50 1ups s PHE 302 Cb -0.10 -1.63 -0.07 0.00 0.51 0.00 0.00 43.02 41.74 1ups s PHE 302 CO 0.40 0.45 1.02 -0.51 0.70 0.00 0.00 175.22 177.27 1ups s LEU 303 N -1.70 4.50 0.15 -0.37 1.43 -0.47 -1.52 118.68 120.69 1ups s LEU 303 Ca 0.21 1.91 -0.14 0.00 -1.03 0.00 0.00 54.13 55.07 1ups s LEU 303 Cb -0.11 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.53 1ups s LEU 303 CO 0.12 -0.12 0.38 -0.72 0.23 0.00 0.00 176.35 176.23 1ups s TYR 304 N -0.09 -0.02 -0.21 0.29 -0.85 -0.48 -4.41 117.35 111.58 1ups s TYR 304 Ca 0.48 -0.33 -0.04 0.00 -0.52 0.00 0.00 57.07 56.66 1ups s TYR 304 Cb -0.26 0.19 -0.01 0.00 0.38 0.00 0.00 41.96 42.26 1ups s TYR 304 CO 0.32 -0.74 -0.04 0.42 -1.52 0.00 0.00 175.55 173.99 1ups s ILE 305 N -3.86 3.54 0.15 -3.49 1.01 -1.06 -0.72 121.20 116.77 1ups s ILE 305 Ca 0.08 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.13 1ups s ILE 305 Cb 0.02 -2.60 -0.07 0.00 0.01 0.00 0.00 42.46 39.82 1ups s ILE 305 CO -0.07 0.43 0.56 -0.70 0.00 0.00 0.00 174.94 175.16 1ups s GLU 306 N 1.21 4.01 0.43 2.79 2.12 -1.26 -4.82 118.70 123.18 1ups s GLU 306 Ca 0.03 0.53 -0.26 0.00 0.36 0.00 0.00 54.97 55.63 1ups s GLU 306 Cb -0.14 -2.94 -0.09 0.00 0.26 0.00 0.00 34.13 31.22 1ups s GLU 306 CO -0.01 0.48 1.39 -1.21 -0.54 0.00 0.00 175.26 175.37 1ups s GLU 307 N -1.91 3.83 -1.48 4.30 2.02 -1.26 -2.97 118.70 121.22 1ups s GLU 307 Ca 0.38 2.34 -0.12 0.00 0.02 0.00 0.00 54.97 57.59 1ups s GLU 307 Cb -0.15 -2.72 0.07 0.00 0.10 0.00 0.00 34.13 31.42 1ups s GLU 307 CO 0.19 -0.67 0.87 0.09 0.02 0.00 0.00 175.26 175.76 1ups n ASN 308 N -0.02 -4.97 -3.83 -0.19 3.02 -1.26 -4.99 115.26 103.03 1ups n ASN 308 Ca 0.04 -0.63 -0.26 0.00 -0.03 0.00 0.00 54.58 53.70 1ups n ASN 308 Cb 0.42 -3.98 -0.17 0.00 -0.61 0.00 0.00 39.78 35.44 1ups n ASN 308 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ups s ASN 309 N -3.12 2.29 0.00 6.41 3.84 -1.16 -5.02 114.94 118.19 1ups s ASN 309 Ca 0.57 -0.42 0.31 0.00 0.21 0.00 0.00 52.86 53.54 1ups s ASN 309 Cb -0.28 -0.70 1.77 0.00 -0.55 0.00 0.00 41.25 41.49 1ups s ASN 309 CO 0.70 -0.19 2.17 -0.90 -2.79 0.00 0.00 177.10 176.09 1ups n ASP 310 N 5.01 0.00 -5.00 -4.21 3.85 -1.26 -4.76 116.55 110.18 1ups n ASP 310 Ca -0.10 -0.70 -0.18 0.00 -0.71 0.00 0.00 54.79 53.10 1ups n ASP 310 Cb 0.49 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 40.16 1ups n ASP 310 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1ups s LYS 311 N -2.20 2.96 -0.20 0.11 -0.14 -1.26 -4.43 119.74 114.58 1ups s LYS 311 Ca 0.41 -1.11 -0.13 0.00 -1.36 0.00 0.00 55.97 53.78 1ups s LYS 311 Cb 0.21 -2.78 -0.05 0.00 -1.68 0.00 0.00 37.83 33.54 1ups s LYS 311 CO 0.40 -0.12 0.27 0.08 -0.76 0.00 0.00 175.35 175.22 1ups s VAL 312 N -2.28 5.30 0.48 3.17 1.01 -1.25 -4.69 120.40 122.14 1ups s VAL 312 Ca 0.50 0.45 -0.04 0.00 0.00 0.00 0.00 61.98 62.89 1ups s VAL 312 Cb -0.10 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1ups s VAL 312 CO 0.32 0.33 0.77 -0.44 0.00 0.00 0.00 175.10 176.08 1ups s SER 313 N 0.84 6.14 0.07 3.32 0.01 0.10 -0.55 113.70 123.63 1ups s SER 313 Ca 0.14 0.80 0.04 0.00 1.31 0.00 0.00 55.95 58.23 1ups s SER 313 Cb -0.14 -2.09 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 1ups s SER 313 CO 0.05 -0.63 -0.11 -0.72 0.41 0.00 0.00 173.24 172.24 1ups s TYR 314 N -2.72 1.00 -0.10 2.43 -0.85 -0.99 -1.38 117.35 114.75 1ups s TYR 314 Ca 0.48 -0.54 0.00 0.00 -0.52 0.00 0.00 57.07 56.49 1ups s TYR 314 Cb -0.10 -0.56 0.00 0.00 0.38 0.00 0.00 41.96 41.67 1ups s TYR 314 CO 0.43 -0.01 0.00 0.41 -1.52 0.00 0.00 175.55 174.87 1ups n GLY 315 N 1.09 -1.19 3.75 5.49 0.00 -0.57 -4.82 105.19 108.94 1ups n GLY 315 Ca -0.20 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 1ups n GLY 315 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ups s ASP 316 N -2.22 5.36 0.16 1.61 1.01 -1.26 -0.97 116.67 120.37 1ups s ASP 316 Ca 0.00 2.48 -0.31 0.00 0.71 0.00 0.00 52.55 55.43 1ups s ASP 316 Cb 0.00 -2.61 -0.10 0.00 1.01 0.00 0.00 42.92 41.22 1ups s ASP 316 CO 0.00 -1.48 1.53 -0.63 0.21 0.00 0.00 175.17 174.80 1ups s ILE 317 N -1.50 2.74 0.19 0.77 1.09 -1.26 -4.89 121.20 118.33 1ups s ILE 317 Ca 0.74 0.53 0.03 0.00 -1.10 0.00 0.00 60.65 60.85 1ups s ILE 317 Cb -0.33 -3.34 -0.05 0.00 -1.06 0.00 0.00 42.46 37.68 1ups s ILE 317 CO 0.37 0.04 -0.02 0.42 -0.10 0.00 0.00 174.94 175.65 1ups s THR 318 N 1.06 0.94 0.46 2.92 -4.23 -1.26 -5.03 115.64 110.51 1ups s THR 318 Ca 0.68 -2.02 0.13 0.00 -1.18 0.00 0.00 61.69 59.30 1ups s THR 318 Cb -0.42 -2.15 0.23 0.00 1.34 0.00 0.00 72.50 71.49 1ups s THR 318 CO 0.32 -0.47 2.05 -0.07 -0.54 0.00 0.00 174.62 175.91 1ups h LEU 319 N 2.62 0.11 -0.63 4.79 3.38 -2.00 -1.81 115.31 121.76 1ups h LEU 319 Ca -0.37 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 1ups h LEU 319 Cb 1.21 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1ups h LEU 319 CO 0.64 0.17 -0.03 0.50 0.09 0.00 0.00 178.44 179.80 1ups h LYS 320 N 0.12 1.04 -0.02 1.13 1.63 -1.99 -3.24 116.57 115.24 1ups h LYS 320 Ca 0.03 -0.34 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 1ups h LYS 320 Cb 0.14 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1ups h LYS 320 CO 0.01 1.03 -0.26 0.27 -3.45 0.00 0.00 179.45 177.04 1ups n ASN 321 N -4.17 2.36 -0.20 4.20 0.23 -1.09 -4.67 115.26 111.92 1ups n ASN 321 Ca 0.03 -1.68 -0.02 0.00 -0.53 0.00 0.00 54.58 52.37 1ups n ASN 321 Cb 0.36 0.28 0.08 0.00 -2.08 0.00 0.00 39.78 38.42 1ups n ASN 321 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1ups h GLU 322 N 3.23 0.54 -0.78 -3.83 4.81 -1.36 -0.84 114.58 116.36 1ups h GLU 322 Ca 0.00 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1ups h GLU 322 Cb 0.82 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 1ups h GLU 322 CO 0.00 0.36 0.36 0.87 -0.73 0.00 0.00 179.01 179.87 1ups h LYS 323 N 0.56 1.13 0.00 1.92 1.57 -1.83 -2.48 116.57 117.44 1ups h LYS 323 Ca 0.27 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1ups h LYS 323 Cb 0.21 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1ups h LYS 323 CO -0.20 0.88 0.00 0.09 -0.57 0.00 0.00 179.45 179.65 1ups n ASN 324 N -4.31 0.00 -1.28 0.86 3.02 -0.41 -3.36 115.26 109.78 1ups n ASN 324 Ca 0.08 -0.10 0.12 0.00 -0.03 0.00 0.00 54.58 54.64 1ups n ASN 324 Cb 0.15 -0.29 0.28 0.00 -0.61 0.00 0.00 39.78 39.31 1ups n ASN 324 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ups n ALA 325 N -1.29 2.40 -2.80 5.41 0.00 -0.69 -2.56 120.51 120.97 1ups n ALA 325 Ca 0.13 -1.17 -0.35 0.00 0.00 0.00 0.00 53.44 52.05 1ups n ALA 325 Cb 0.22 -0.91 -0.09 0.00 0.00 0.00 0.00 19.45 18.68 1ups n ALA 325 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ups s LYS 326 N -1.22 3.61 0.11 0.00 1.02 -1.21 -4.42 119.74 117.62 1ups s LYS 326 Ca 0.45 -0.31 0.06 0.00 0.02 0.00 0.00 55.97 56.19 1ups s LYS 326 Cb 0.25 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.42 1ups s LYS 326 CO 0.33 0.49 -0.16 -1.58 -0.92 0.00 0.00 175.35 173.52 1ups s TRP 327 N -0.25 1.47 0.21 3.18 0.52 0.34 -1.37 118.94 123.03 1ups s TRP 327 Ca 0.08 -0.50 0.12 0.00 0.02 0.00 0.00 56.10 55.82 1ups s TRP 327 Cb -0.12 -0.78 -0.05 0.00 -1.15 0.00 0.00 33.47 31.37 1ups s TRP 327 CO 0.01 0.15 -0.23 -1.12 0.02 0.00 0.00 176.95 175.79 1ups s SER 328 N -2.21 3.48 0.00 2.95 0.01 0.38 -0.26 113.70 118.05 1ups s SER 328 Ca 0.07 -0.90 0.03 0.00 1.31 0.00 0.00 55.95 56.46 1ups s SER 328 Cb -0.07 -0.27 -0.03 0.00 0.21 0.00 0.00 66.02 65.86 1ups s SER 328 CO 0.03 0.10 -0.07 -0.54 0.41 0.00 0.00 173.24 173.18 1ups s LYS 329 N -2.86 2.56 0.08 12.44 1.02 -1.26 -1.27 119.74 130.45 1ups s LYS 329 Ca 0.23 -0.72 0.03 0.00 0.02 0.00 0.00 55.97 55.53 1ups s LYS 329 Cb -0.07 -2.51 -0.03 0.00 -0.52 0.00 0.00 37.83 34.70 1ups s LYS 329 CO 0.11 0.60 -0.10 -1.21 -0.92 0.00 0.00 175.35 173.84 1ups s GLU 330 N -1.41 0.74 -0.00 1.68 2.02 -0.71 -4.98 118.70 116.04 1ups s GLU 330 Ca 0.17 -1.01 0.08 0.00 0.02 0.00 0.00 54.97 54.22 1ups s GLU 330 Cb -0.11 -0.48 -0.02 0.00 0.10 0.00 0.00 34.13 33.61 1ups s GLU 330 CO 0.07 0.08 -0.24 0.71 0.02 0.00 0.00 175.26 175.91 1ups s TYR 331 N -2.00 2.13 -0.13 1.61 1.51 -1.26 0.80 117.35 120.01 1ups s TYR 331 Ca -0.00 -0.40 -0.08 0.00 -1.01 0.00 0.00 57.07 55.58 1ups s TYR 331 Cb -0.06 -1.35 0.05 0.00 -0.11 0.00 0.00 41.96 40.49 1ups s TYR 331 CO 0.00 -0.00 0.32 1.03 -1.11 0.00 0.00 175.55 175.79 1ups s ARG 332 N -0.70 0.30 -1.44 -0.62 1.81 -0.44 -4.88 118.95 112.98 1ups s ARG 332 Ca 0.09 0.62 0.00 0.00 -1.72 0.00 0.00 55.73 54.72 1ups s ARG 332 Cb -0.09 -0.04 0.00 0.00 -0.45 0.00 0.00 34.95 34.37 1ups s ARG 332 CO -0.00 -0.14 0.00 -0.25 -0.68 0.00 0.00 175.30 174.22 1ups n ASP 333 N 4.06 -4.20 0.00 0.23 10.43 -1.26 -0.36 116.55 125.45 1ups n ASP 333 Ca -0.23 0.26 0.00 0.00 2.57 0.00 0.00 54.79 57.39 1ups n ASP 333 Cb 0.54 -3.70 0.00 0.00 1.84 0.00 0.00 41.12 39.80 1ups n ASP 333 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1ups n GLY 334 N -0.55 1.34 3.94 0.44 0.00 -1.26 -5.04 105.19 104.05 1ups n GLY 334 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 1ups n GLY 334 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ups s TYR 335 N -3.40 3.50 -0.12 1.61 1.51 0.52 -4.55 117.35 116.42 1ups s TYR 335 Ca 0.00 0.34 -0.10 0.00 -1.01 0.00 0.00 57.07 56.29 1ups s TYR 335 Cb 0.00 -1.88 -0.05 0.00 -0.11 0.00 0.00 41.96 39.93 1ups s TYR 335 CO 0.00 0.16 0.22 0.99 -1.11 0.00 0.00 175.55 175.81 1ups s THR 336 N -2.26 5.36 -0.05 -0.71 2.01 0.85 -1.33 115.64 119.51 1ups s THR 336 Ca 0.40 0.39 -0.01 0.00 0.31 0.00 0.00 61.69 62.77 1ups s THR 336 Cb -0.10 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1ups s THR 336 CO 0.35 0.53 0.04 -0.76 -0.69 0.00 0.00 174.62 174.09 1ups s LEU 337 N -0.46 3.74 -0.25 4.42 1.02 0.24 -0.25 118.68 127.14 1ups s LEU 337 Ca 0.16 0.16 -0.05 0.00 0.02 0.00 0.00 54.13 54.41 1ups s LEU 337 Cb -0.13 -2.00 -0.00 0.00 0.02 0.00 0.00 46.19 44.08 1ups s LEU 337 CO 0.04 0.34 0.01 -0.76 0.02 0.00 0.00 176.35 176.00 1ups s LEU 338 N -1.24 3.30 -0.14 1.79 1.43 -1.26 -1.73 118.68 120.83 1ups s LEU 338 Ca 0.17 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1ups s LEU 338 Cb -0.12 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.29 1ups s LEU 338 CO 0.07 -0.08 -0.14 -0.75 0.23 0.00 0.00 176.35 175.68 1ups s LYS 339 N 1.49 3.31 0.00 1.70 2.20 -0.39 -1.07 119.74 126.98 1ups s LYS 339 Ca 0.04 -0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 54.64 1ups s LYS 339 Cb -0.15 -2.63 -0.05 0.00 -1.51 0.00 0.00 37.83 33.49 1ups s LYS 339 CO -0.01 0.13 1.26 1.21 -0.36 0.00 0.00 175.35 177.58 1ups s ASN 340 N 0.55 7.00 0.16 1.43 3.84 0.14 -0.47 114.94 127.58 1ups s ASN 340 Ca -0.09 1.97 -0.12 0.00 0.21 0.00 0.00 52.86 54.83 1ups s ASN 340 Cb -0.16 -2.57 0.04 0.00 -0.55 0.00 0.00 41.25 38.01 1ups s ASN 340 CO 0.04 -0.59 1.64 0.78 -2.79 0.00 0.00 177.10 176.18 1ups h ASN 341 N 7.33 0.83 -0.23 -4.21 4.21 -1.54 0.22 115.58 122.18 1ups h ASN 341 Ca -0.38 -0.26 -0.11 0.00 1.21 0.00 0.00 56.30 56.76 1ups h ASN 341 Cb 1.18 -0.22 -0.00 0.00 -1.12 0.00 0.00 38.32 38.16 1ups h ASN 341 CO 0.86 0.88 -0.29 -0.08 -1.29 0.00 0.00 177.43 177.52 1ups h GLU 342 N 0.75 0.61 0.00 0.81 4.57 -1.78 -3.30 114.58 116.24 1ups h GLU 342 Ca 0.16 -0.34 -0.02 0.00 -1.18 0.00 0.00 59.36 57.97 1ups h GLU 342 Cb 0.40 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1ups h GLU 342 CO 0.01 0.95 -1.24 0.25 -1.18 0.00 0.00 179.01 177.80 1ups n THR 343 N -4.32 0.59 -1.18 0.32 -2.24 -1.23 -4.98 114.28 101.24 1ups n THR 343 Ca -0.05 -0.56 -0.06 0.00 -2.27 0.00 0.00 64.05 61.11 1ups n THR 343 Cb 0.47 -0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 1ups n THR 343 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ups n GLY 344 N 1.22 0.85 3.90 3.38 0.00 0.78 -4.98 105.19 110.34 1ups n GLY 344 Ca -0.02 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 1ups n GLY 344 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ups s GLU 345 N -2.24 3.61 -0.06 1.61 2.02 -1.23 -4.73 118.70 117.69 1ups s GLU 345 Ca 0.00 -0.10 -0.11 0.00 0.02 0.00 0.00 54.97 54.78 1ups s GLU 345 Cb 0.00 -2.85 -0.05 0.00 0.10 0.00 0.00 34.13 31.33 1ups s GLU 345 CO 0.00 0.47 0.28 0.71 0.02 0.00 0.00 175.26 176.75 1ups s TYR 346 N -1.65 3.67 0.09 1.61 4.12 -0.27 -0.69 117.35 124.22 1ups s TYR 346 Ca 0.41 0.78 -0.31 0.00 0.02 0.00 0.00 57.07 57.97 1ups s TYR 346 Cb -0.12 -2.13 -0.07 0.00 -1.52 0.00 0.00 41.96 38.12 1ups s TYR 346 CO 0.25 0.69 1.31 -0.51 0.02 0.00 0.00 175.55 177.30 1ups s LEU 347 N -1.04 4.37 0.25 -1.29 1.43 -0.23 -2.77 118.68 119.40 1ups s LEU 347 Ca 0.20 2.19 -0.15 0.00 -1.03 0.00 0.00 54.13 55.34 1ups s LEU 347 Cb -0.15 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1ups s LEU 347 CO 0.09 -0.57 0.53 0.54 0.23 0.00 0.00 176.35 177.17 1ups s ASN 348 N 1.09 -0.14 -0.14 2.29 2.20 -0.59 -4.48 114.94 115.18 1ups s ASN 348 Ca 0.62 -0.82 0.18 0.00 -0.94 0.00 0.00 52.86 51.90 1ups s ASN 348 Cb -0.34 0.61 0.44 0.00 -2.00 0.00 0.00 41.25 39.96 1ups s ASN 348 CO 0.30 -1.17 1.19 2.30 -2.94 0.00 0.00 177.10 176.77 1ups n ILE 349 N -0.39 1.26 -0.29 0.54 -5.35 -0.83 -0.41 119.36 113.88 1ups n ILE 349 Ca -0.03 -2.39 0.08 0.00 -0.27 0.00 0.00 62.75 60.14 1ups n ILE 349 Cb 0.61 0.32 0.23 0.00 -1.74 0.00 0.00 39.64 39.06 1ups n ILE 349 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1ups h GLU 350 N 1.24 0.56 -0.01 6.28 4.57 -1.95 -1.19 114.58 124.09 1ups h GLU 350 Ca -0.07 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1ups h GLU 350 Cb 1.44 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 1ups h GLU 350 CO 0.12 0.37 -0.09 0.09 -1.18 0.00 0.00 179.01 178.32 1ups n ASN 351 N -4.90 1.11 -3.72 1.04 3.02 -1.26 -4.97 115.26 105.58 1ups n ASN 351 Ca 0.18 -1.16 -0.33 0.00 -0.03 0.00 0.00 54.58 53.24 1ups n ASN 351 Cb 0.46 0.03 0.04 0.00 -0.61 0.00 0.00 39.78 39.71 1ups n ASN 351 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ups n GLN 352 N -0.31 -1.11 0.00 3.52 6.02 -0.45 -4.90 117.38 120.16 1ups n GLN 352 Ca 0.17 0.43 0.12 0.00 -0.01 0.00 0.00 57.00 57.71 1ups n GLN 352 Cb 0.32 -3.94 0.21 0.00 1.02 0.00 0.00 30.24 27.85 1ups n GLN 352 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ups n THR 353 N -4.24 0.00 -0.03 5.09 -2.24 -1.26 -4.93 114.28 106.67 1ups n THR 353 Ca -0.09 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1ups n THR 353 Cb 0.59 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 1ups n THR 353 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ups n GLY 354 N 1.35 1.60 3.33 3.38 0.00 -1.26 -5.04 105.19 108.55 1ups n GLY 354 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 1ups n GLY 354 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ups s TYR 355 N -2.58 2.08 0.17 1.61 2.02 -1.26 -2.20 117.35 117.18 1ups s TYR 355 Ca 0.00 -0.40 -0.31 0.00 -0.37 0.00 0.00 57.07 55.99 1ups s TYR 355 Cb 0.00 -1.17 -0.09 0.00 -0.40 0.00 0.00 41.96 40.30 1ups s TYR 355 CO 0.00 0.22 1.45 0.42 -1.57 0.00 0.00 175.55 176.07 1ups s ILE 356 N -1.00 2.94 0.30 2.71 -1.09 -0.77 -4.78 121.20 119.51 1ups s ILE 356 Ca 0.10 0.70 0.06 0.00 -2.23 0.00 0.00 60.65 59.29 1ups s ILE 356 Cb -0.10 -3.45 -0.02 0.00 -1.58 0.00 0.00 42.46 37.31 1ups s ILE 356 CO 0.04 0.07 0.42 -1.61 -1.23 0.00 0.00 174.94 172.63 1ups s GLU 357 N 0.71 3.21 -0.04 2.79 2.02 0.45 -3.96 118.70 123.87 1ups s GLU 357 Ca 0.65 -0.94 0.00 0.00 0.02 0.00 0.00 54.97 54.70 1ups s GLU 357 Cb -0.40 -2.83 0.03 0.00 0.10 0.00 0.00 34.13 31.03 1ups s GLU 357 CO 0.34 0.19 -0.01 -3.38 0.02 0.00 0.00 175.26 172.42 1ups s HIS 358 N -2.11 0.50 0.15 1.61 -3.43 -1.26 -1.55 115.29 109.20 1ups s HIS 358 Ca 0.41 -0.08 -0.24 0.00 -0.80 0.00 0.00 55.06 54.34 1ups s HIS 358 Cb -0.09 -0.57 0.06 0.00 -1.43 0.00 0.00 32.58 30.55 1ups s HIS 358 CO 0.30 -0.19 0.79 0.20 -2.00 0.00 0.00 174.74 173.84 1ups s GLY 359 N 1.25 -0.36 -1.38 -1.38 0.00 -1.11 -4.93 107.32 99.41 1ups s GLY 359 Ca -0.06 0.33 -0.13 0.00 0.00 0.00 0.00 44.72 44.86 1ups s GLY 359 CO -0.02 0.10 2.06 0.28 0.00 0.00 0.00 173.10 175.52 1ups n LYS 360 N -0.39 3.12 -3.21 2.90 5.02 -1.26 -1.12 118.16 123.23 1ups n LYS 360 Ca -0.09 -2.97 -0.27 0.00 -2.02 0.00 0.00 58.31 52.96 1ups n LYS 360 Cb 0.62 -3.19 -0.02 0.00 -0.02 0.00 0.00 35.03 32.42 1ups n LYS 360 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1ups s VAL 361 N 2.41 5.03 0.26 -0.18 -7.23 -1.26 -5.03 120.40 114.38 1ups s VAL 361 Ca 0.45 -0.10 -0.31 0.00 -1.81 0.00 0.00 61.98 60.22 1ups s VAL 361 Cb 0.11 -3.81 -0.13 0.00 0.56 0.00 0.00 36.38 33.12 1ups s VAL 361 CO -0.04 -0.52 1.43 -2.65 -0.31 0.00 0.00 175.10 173.01 1ups n PRO 362 N -1.51 2.14 0.32 4.82 -0.02 -1.26 -4.88 135.00 134.60 1ups n PRO 362 Ca -0.02 0.76 0.21 0.00 -2.02 0.00 0.00 63.50 62.42 1ups n PRO 362 Cb 0.55 -2.43 1.06 0.00 -0.02 0.00 0.00 33.50 32.66 1ups n PRO 362 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1ups h LYS 363 N 4.17 0.00 0.00 -0.52 6.56 -1.98 -2.24 116.57 122.56 1ups h LYS 363 Ca -0.45 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.14 1ups h LYS 363 Cb 1.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.93 1ups h LYS 363 CO 0.75 0.01 0.00 0.25 -2.06 0.00 0.00 179.45 178.40 1ups n THR 364 N -3.15 0.12 -2.31 -0.16 -2.24 -1.26 -4.79 114.28 100.49 1ups n THR 364 Ca -0.02 0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 1ups n THR 364 Cb 0.14 -0.57 -0.02 0.00 -2.10 0.00 0.00 70.33 67.77 1ups n THR 364 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1ups s TRP 365 N -2.77 2.69 0.44 4.78 0.52 -0.85 -4.90 118.94 118.86 1ups s TRP 365 Ca 0.20 0.82 0.28 0.00 0.02 0.00 0.00 56.10 57.43 1ups s TRP 365 Cb 0.18 -3.61 1.53 0.00 -1.15 0.00 0.00 33.47 30.43 1ups s TRP 365 CO 0.45 -2.24 2.11 -1.49 0.02 0.00 0.00 176.95 175.80 1ups h TRP 366 N 8.36 0.00 0.00 -1.98 4.06 -1.90 -1.40 115.95 123.09 1ups h TRP 366 Ca -0.32 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.63 1ups h TRP 366 Cb 1.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 1ups h TRP 366 CO 0.80 0.09 0.00 0.66 -3.56 0.00 0.00 178.44 176.44 1ups h SER 367 N 0.00 0.00 -0.50 -3.49 4.64 -1.95 -2.16 113.55 110.09 1ups h SER 367 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ups h SER 367 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1ups h SER 367 CO 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 1ups n ALA 368 N -1.86 2.30 -2.48 5.18 0.00 -0.53 -1.97 120.51 121.15 1ups n ALA 368 Ca 0.00 -1.17 -0.32 0.00 0.00 0.00 0.00 53.44 51.95 1ups n ALA 368 Cb 0.18 -0.69 -0.13 0.00 0.00 0.00 0.00 19.45 18.81 1ups n ALA 368 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ups s GLN 369 N -1.05 2.43 -0.02 0.00 -0.21 -0.83 -4.47 119.66 115.51 1ups s GLN 369 Ca 0.35 -0.75 0.02 0.00 0.02 0.00 0.00 55.36 55.01 1ups s GLN 369 Cb 0.19 -2.35 -0.00 0.00 1.00 0.00 0.00 33.01 31.85 1ups s GLN 369 CO 0.25 0.61 -0.08 -1.58 -2.12 0.00 0.00 175.29 172.37 1ups s TRP 370 N -0.79 0.79 0.04 0.91 0.52 0.66 -0.88 118.94 120.19 1ups s TRP 370 Ca 0.12 -0.17 -0.26 0.00 0.02 0.00 0.00 56.10 55.81 1ups s TRP 370 Cb -0.11 -0.55 -0.05 0.00 -1.15 0.00 0.00 33.47 31.61 1ups s TRP 370 CO 0.02 -0.06 0.81 -1.12 0.02 0.00 0.00 176.95 176.62 1ups s SER 371 N 0.05 7.24 -0.24 2.95 0.01 0.14 -0.10 113.70 123.75 1ups s SER 371 Ca -0.00 1.49 -0.15 0.00 1.31 0.00 0.00 55.95 58.59 1ups s SER 371 Cb -0.06 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 1ups s SER 371 CO -0.00 -0.03 0.39 -1.61 0.41 0.00 0.00 173.24 172.40 1ups s GLU 372 N 0.12 4.09 -0.28 12.44 2.02 -1.26 -0.99 118.70 134.84 1ups s GLU 372 Ca 0.41 0.13 0.02 0.00 0.02 0.00 0.00 54.97 55.55 1ups s GLU 372 Cb -0.21 -3.60 0.08 0.00 0.10 0.00 0.00 34.13 30.50 1ups s GLU 372 CO 0.24 -0.18 -0.02 0.08 0.02 0.00 0.00 175.26 175.40 1ups s VAL 373 N 1.76 1.85 0.31 2.63 1.01 0.10 -4.74 120.40 123.32 1ups s VAL 373 Ca 0.17 -1.67 -0.29 0.00 0.00 0.00 0.00 61.98 60.18 1ups s VAL 373 Cb -0.15 -2.17 -0.11 0.00 0.00 0.00 0.00 36.38 33.96 1ups s VAL 373 CO 0.09 -0.29 1.45 -2.84 0.00 0.00 0.00 175.10 173.52 1ups s PRO 374 N 1.20 4.22 -0.19 2.72 0.02 -1.26 -1.00 135.00 140.71 1ups s PRO 374 Ca -0.00 2.41 -0.06 0.00 0.02 0.00 0.00 61.00 63.36 1ups s PRO 374 Cb -0.19 -3.05 0.09 0.00 0.02 0.00 0.00 34.50 31.37 1ups s PRO 374 CO -0.08 -0.44 0.39 0.54 -0.33 0.00 0.00 177.00 177.08 1ups s VAL 375 N -0.53 -0.61 -1.60 3.83 0.11 -0.40 -4.89 120.40 116.31 1ups s VAL 375 Ca 0.56 0.18 -0.00 0.00 -2.93 0.00 0.00 61.98 59.79 1ups s VAL 375 Cb -0.44 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 33.78 1ups s VAL 375 CO 0.51 0.07 0.03 -0.67 -3.33 0.00 0.00 175.10 171.72 1ups n ASP 376 N 5.38 -5.44 0.00 3.54 4.64 -1.26 -0.21 116.55 123.20 1ups n ASP 376 Ca -0.08 0.02 0.00 0.00 -1.38 0.00 0.00 54.79 53.35 1ups n ASP 376 Cb 0.49 -4.54 0.00 0.00 -1.04 0.00 0.00 41.12 36.03 1ups n ASP 376 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1ups n GLY 377 N -0.99 0.78 1.81 0.27 0.00 -1.26 -5.05 105.19 100.76 1ups n GLY 377 Ca -0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 1ups n GLY 377 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ups n TYR 378 N -2.00 0.51 -4.36 1.61 4.01 0.71 -4.99 117.16 112.65 1ups n TYR 378 Ca 0.00 -1.27 -0.22 0.00 -0.16 0.00 0.00 57.90 56.25 1ups n TYR 378 Cb 0.00 -0.14 -0.16 0.00 -0.31 0.00 0.00 39.34 38.72 1ups n TYR 378 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1ups s THR 379 N -1.98 0.80 0.08 -0.72 2.01 0.44 -1.27 115.64 114.98 1ups s THR 379 Ca 0.02 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1ups s THR 379 Cb 0.00 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 1ups s THR 379 CO 0.01 0.27 0.14 -0.13 -0.69 0.00 0.00 174.62 174.23 1ups s ARG 380 N 0.67 3.12 -0.20 4.92 0.52 -0.17 -0.79 118.95 127.03 1ups s ARG 380 Ca -0.11 -0.59 -0.00 0.00 -0.52 0.00 0.00 55.73 54.50 1ups s ARG 380 Cb -0.14 -2.86 0.02 0.00 0.52 0.00 0.00 34.95 32.49 1ups s ARG 380 CO 0.02 0.58 -0.14 -0.06 0.02 0.00 0.00 175.30 175.71 1ups s PHE 381 N -1.46 2.88 -0.13 -0.53 0.40 -1.26 -0.72 117.98 117.16 1ups s PHE 381 Ca 0.32 -1.50 0.02 0.00 -0.60 0.00 0.00 56.93 55.17 1ups s PHE 381 Cb -0.12 -1.98 -0.00 0.00 0.51 0.00 0.00 43.02 41.43 1ups s PHE 381 CO 0.25 -0.74 -0.20 0.08 0.70 0.00 0.00 175.22 175.31 1ups s VAL 382 N 1.33 2.36 0.45 -0.44 1.01 -0.16 -1.86 120.40 123.10 1ups s VAL 382 Ca 0.04 -0.89 -0.24 0.00 0.00 0.00 0.00 61.98 60.89 1ups s VAL 382 Cb -0.14 -1.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.21 1ups s VAL 382 CO -0.09 0.54 1.23 0.21 0.00 0.00 0.00 175.10 176.98 1ups s ASN 383 N 0.58 6.10 -0.06 3.32 3.84 -0.08 0.29 114.94 128.92 1ups s ASN 383 Ca -0.11 2.46 -0.25 0.00 0.21 0.00 0.00 52.86 55.17 1ups s ASN 383 Cb -0.16 -2.62 -0.24 0.00 -0.55 0.00 0.00 41.25 37.68 1ups s ASN 383 CO 0.04 -0.97 1.00 -0.09 -2.79 0.00 0.00 177.10 174.28 1ups h ARG 384 N 2.17 0.17 -0.61 0.43 2.43 -1.11 -3.02 114.38 114.84 1ups h ARG 384 Ca -0.50 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 58.47 1ups h ARG 384 Cb 1.25 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.83 1ups h ARG 384 CO 0.61 0.95 0.33 2.35 -1.51 0.00 0.00 179.97 182.70 1ups h TRP 385 N -0.53 0.84 -2.99 2.20 7.01 -1.74 -3.33 115.95 117.41 1ups h TRP 385 Ca -0.04 -0.02 -0.62 0.00 2.11 0.00 0.00 58.89 60.33 1ups h TRP 385 Cb 1.05 -0.27 -0.41 0.00 -2.10 0.00 0.00 29.16 27.44 1ups h TRP 385 CO 0.19 0.61 -0.65 0.15 -2.79 0.00 0.00 178.44 175.94 1ups s LYS 386 N -5.84 2.09 0.00 2.65 -0.14 -1.26 -4.99 119.74 112.25 1ups s LYS 386 Ca -0.13 -2.99 0.12 0.00 -1.36 0.00 0.00 55.97 51.60 1ups s LYS 386 Cb 0.13 -3.01 0.64 0.00 -1.68 0.00 0.00 37.83 33.91 1ups s LYS 386 CO 0.78 -1.28 1.20 -0.35 -0.76 0.00 0.00 175.35 174.94 1ups n PRO 387 N 2.32 0.27 0.00 -1.68 -0.04 -1.14 -1.00 135.00 133.72 1ups n PRO 387 Ca 0.19 0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.87 1ups n PRO 387 Cb 0.37 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.79 1ups n PRO 387 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1ups n ASN 388 N -1.14 0.76 -4.63 3.54 3.02 -1.26 -4.74 115.26 110.80 1ups n ASN 388 Ca 0.07 -0.69 -0.35 0.00 -0.03 0.00 0.00 54.58 53.58 1ups n ASN 388 Cb 0.06 0.05 -0.10 0.00 -0.61 0.00 0.00 39.78 39.18 1ups n ASN 388 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ups s MET 389 N -2.54 3.98 0.27 3.52 -1.94 -0.17 -3.91 119.30 118.50 1ups s MET 389 Ca 0.25 -0.34 0.12 0.00 -1.71 0.00 0.00 55.69 54.01 1ups s MET 389 Cb 0.19 -3.25 -0.05 0.00 2.01 0.00 0.00 34.83 33.74 1ups s MET 389 CO 0.51 0.24 -0.20 -1.12 -0.01 0.00 0.00 175.02 174.45 1ups s SER 390 N 0.46 3.49 -0.07 3.03 0.01 0.38 -0.91 113.70 120.09 1ups s SER 390 Ca 0.04 -1.02 -0.30 0.00 1.31 0.00 0.00 55.95 55.98 1ups s SER 390 Cb -0.12 -0.28 -0.02 0.00 0.21 0.00 0.00 66.02 65.80 1ups s SER 390 CO 0.00 0.03 0.99 -0.63 0.41 0.00 0.00 173.24 174.05 1ups s ILE 391 N -2.49 4.81 0.24 1.44 1.01 -0.78 -1.71 121.20 123.73 1ups s ILE 391 Ca 0.29 2.04 -0.18 0.00 0.00 0.00 0.00 60.65 62.80 1ups s ILE 391 Cb -0.05 -4.31 0.02 0.00 0.01 0.00 0.00 42.46 38.13 1ups s ILE 391 CO 0.14 0.05 0.59 -1.38 0.00 0.00 0.00 174.94 174.35 1ups s HIS 392 N 1.70 -0.03 -0.34 3.97 -3.43 -0.68 -4.51 115.29 111.96 1ups s HIS 392 Ca 0.49 -0.35 0.12 0.00 -0.80 0.00 0.00 55.06 54.52 1ups s HIS 392 Cb -0.19 0.47 0.46 0.00 -1.43 0.00 0.00 32.58 31.89 1ups s HIS 392 CO 0.21 -1.06 1.08 0.25 -2.00 0.00 0.00 174.74 173.22 1ups n THR 393 N -0.40 1.81 0.31 -5.38 -2.24 -0.64 -1.37 114.28 106.38 1ups n THR 393 Ca -0.06 -3.88 0.16 0.00 -2.27 0.00 0.00 64.05 58.00 1ups n THR 393 Cb 0.61 -0.22 0.70 0.00 -2.10 0.00 0.00 70.33 69.32 1ups n THR 393 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ups h GLU 394 N 2.62 0.00 -0.00 -0.78 4.57 -1.95 -0.63 114.58 118.40 1ups h GLU 394 Ca 0.12 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1ups h GLU 394 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1ups h GLU 394 CO 0.61 0.00 -0.52 0.43 -1.18 0.00 0.00 179.01 178.35 1ups n SER 395 N -2.80 0.63 -3.86 1.04 7.64 -1.26 -4.99 113.62 110.02 1ups n SER 395 Ca 0.00 -0.42 -0.26 0.00 1.01 0.00 0.00 58.87 59.20 1ups n SER 395 Cb 0.24 0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1ups n SER 395 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1ups n TYR 396 N -1.38 -1.74 0.78 1.43 4.02 -0.25 -4.89 117.16 115.15 1ups n TYR 396 Ca 0.06 0.69 0.11 0.00 -0.01 0.00 0.00 57.90 58.75 1ups n TYR 396 Cb 0.34 -3.76 0.28 0.00 -0.02 0.00 0.00 39.34 36.17 1ups n TYR 396 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1ups n GLU 397 N -4.34 2.16 -0.57 -0.72 1.02 -1.26 -4.92 120.64 112.00 1ups n GLU 397 Ca -0.26 -1.74 0.00 0.00 -0.02 0.00 0.00 57.16 55.14 1ups n GLU 397 Cb 0.66 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 1ups n GLU 397 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ups n GLY 398 N 1.33 0.94 3.22 0.62 0.00 -1.26 -5.02 105.19 105.02 1ups n GLY 398 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1ups n GLY 398 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ups s VAL 399 N -3.21 0.62 -0.09 1.61 -7.23 -1.26 -2.35 120.40 108.49 1ups s VAL 399 Ca 0.00 -1.97 -0.21 0.00 -1.81 0.00 0.00 61.98 58.00 1ups s VAL 399 Cb 0.00 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 1ups s VAL 399 CO 0.00 -0.52 0.59 -0.22 -0.31 0.00 0.00 175.10 174.63 1ups s LEU 400 N -3.14 4.30 0.36 1.32 2.96 0.28 -4.86 118.68 119.90 1ups s LEU 400 Ca 0.22 1.01 0.08 0.00 -0.22 0.00 0.00 54.13 55.22 1ups s LEU 400 Cb 0.06 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 1ups s LEU 400 CO 0.03 -0.05 0.22 -1.10 -1.32 0.00 0.00 176.35 174.13 1ups s GLN 401 N 0.67 2.46 0.13 1.98 -0.21 -0.47 -1.84 119.66 122.37 1ups s GLN 401 Ca 0.32 -1.53 0.06 0.00 0.02 0.00 0.00 55.36 54.23 1ups s GLN 401 Cb -0.16 -2.25 -0.04 0.00 1.00 0.00 0.00 33.01 31.56 1ups s GLN 401 CO 0.14 0.02 -0.15 1.52 -2.12 0.00 0.00 175.29 174.71 1ups s TYR 402 N -2.43 1.49 0.00 0.91 1.13 -0.93 -1.69 117.35 115.82 1ups s TYR 402 Ca 0.41 -0.54 0.00 0.00 -1.41 0.00 0.00 57.07 55.53 1ups s TYR 402 Cb -0.02 -0.77 0.00 0.00 -1.10 0.00 0.00 41.96 40.06 1ups s TYR 402 CO 0.24 0.18 0.00 0.41 -2.51 0.00 0.00 175.55 173.88 1ups n GLY 403 N 0.49 -0.82 3.45 5.49 0.00 -0.69 -4.70 105.19 108.41 1ups n GLY 403 Ca -0.15 -1.02 -0.44 0.00 0.00 0.00 0.00 46.02 44.41 1ups n GLY 403 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ups s ASN 404 N 0.00 6.23 0.04 1.61 3.84 -1.25 -0.47 114.94 124.94 1ups s ASN 404 Ca 0.00 -0.89 0.02 0.00 0.21 0.00 0.00 52.86 52.20 1ups s ASN 404 Cb 0.00 -2.31 -0.02 0.00 -0.55 0.00 0.00 41.25 38.37 1ups s ASN 404 CO 0.00 -0.96 -0.07 0.68 -2.79 0.00 0.00 177.10 173.96 1ups s VAL 405 N 2.82 0.50 0.69 -5.21 -7.23 -1.26 -5.04 120.40 105.66 1ups s VAL 405 Ca 0.17 -1.07 -0.17 0.00 -1.81 0.00 0.00 61.98 59.10 1ups s VAL 405 Cb -0.19 -0.59 0.01 0.00 0.56 0.00 0.00 36.38 36.18 1ups s VAL 405 CO 0.12 -0.40 1.27 -2.84 -0.31 0.00 0.00 175.10 172.95 1ups s PRO 406 N -1.60 2.32 0.58 4.82 0.02 -1.26 -4.90 135.00 134.99 1ups s PRO 406 Ca -0.10 1.99 0.27 0.00 0.02 0.00 0.00 61.00 63.18 1ups s PRO 406 Cb -0.10 -1.83 1.71 0.00 0.02 0.00 0.00 34.50 34.30 1ups s PRO 406 CO 0.00 -1.76 2.22 -2.95 -0.33 0.00 0.00 177.00 174.18 1ups h ASN 407 N 0.18 0.00 0.60 2.53 -1.07 -2.00 -2.30 115.58 113.51 1ups h ASN 407 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.87 1ups h ASN 407 Cb 1.33 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.58 1ups h ASN 407 CO 0.51 0.00 -0.10 0.35 0.07 0.00 0.00 177.43 178.26 1ups n THR 408 N -3.96 0.00 -2.37 6.14 -2.24 -1.26 -4.82 114.28 105.76 1ups n THR 408 Ca -0.02 -0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.31 1ups n THR 408 Cb 0.12 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.07 1ups n THR 408 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1ups s TYR 409 N -2.70 2.69 0.37 4.78 1.51 -0.87 -4.91 117.35 118.21 1ups s TYR 409 Ca 0.23 0.88 0.30 0.00 -1.01 0.00 0.00 57.07 57.47 1ups s TYR 409 Cb 0.20 -3.68 1.51 0.00 -0.11 0.00 0.00 41.96 39.87 1ups s TYR 409 CO 0.51 -1.93 2.07 -1.49 -1.11 0.00 0.00 175.55 173.60 1ups h TRP 410 N 8.80 0.00 0.00 2.71 4.06 -1.90 -0.49 115.95 129.14 1ups h TRP 410 Ca -0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.67 1ups h TRP 410 Cb 1.11 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.27 1ups h TRP 410 CO 0.84 0.10 0.00 0.25 -3.56 0.00 0.00 178.44 176.06 1ups n THR 411 N -3.45 0.99 -0.03 1.49 -2.24 -1.26 -2.01 114.28 107.76 1ups n THR 411 Ca -0.01 0.36 0.10 0.00 -2.27 0.00 0.00 64.05 62.23 1ups n THR 411 Cb 0.25 -1.27 0.24 0.00 -2.10 0.00 0.00 70.33 67.44 1ups n THR 411 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ups n SER 412 N -2.05 3.49 -4.49 3.42 3.41 -0.19 -1.62 113.62 115.59 1ups n SER 412 Ca 0.01 -1.97 -0.33 0.00 -0.26 0.00 0.00 58.87 56.32 1ups n SER 412 Cb 0.16 -0.33 -0.13 0.00 -0.26 0.00 0.00 64.21 63.66 1ups n SER 412 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1ups s GLN 413 N -1.18 3.15 0.07 4.33 -0.21 -0.85 -4.44 119.66 120.53 1ups s GLN 413 Ca 0.39 -0.59 0.05 0.00 0.02 0.00 0.00 55.36 55.22 1ups s GLN 413 Cb 0.21 -2.67 -0.03 0.00 1.00 0.00 0.00 33.01 31.53 1ups s GLN 413 CO 0.29 0.42 -0.14 -1.58 -2.12 0.00 0.00 175.29 172.15 1ups s TRP 414 N -0.16 1.22 -0.21 0.91 0.52 0.03 -0.97 118.94 120.28 1ups s TRP 414 Ca 0.01 -0.45 -0.03 0.00 0.02 0.00 0.00 56.10 55.65 1ups s TRP 414 Cb -0.13 -0.69 -0.01 0.00 -1.15 0.00 0.00 33.47 31.49 1ups s TRP 414 CO 0.03 0.06 -0.06 -1.14 0.02 0.00 0.00 176.95 175.86 1ups s GLN 415 N -1.68 3.35 -0.31 4.98 0.74 0.23 -0.42 119.66 126.55 1ups s GLN 415 Ca -0.02 -0.64 -0.20 0.00 0.05 0.00 0.00 55.36 54.56 1ups s GLN 415 Cb -0.10 -2.96 -0.01 0.00 1.10 0.00 0.00 33.01 31.04 1ups s GLN 415 CO 0.02 -0.17 0.60 -0.51 -0.55 0.00 0.00 175.29 174.68 1ups s LEU 416 N 1.40 4.16 -0.33 3.68 1.02 -1.26 -1.51 118.68 125.84 1ups s LEU 416 Ca 0.05 0.38 -0.04 0.00 0.02 0.00 0.00 54.13 54.53 1ups s LEU 416 Cb -0.14 -2.77 0.05 0.00 0.02 0.00 0.00 46.19 43.35 1ups s LEU 416 CO -0.04 -0.46 0.07 -0.63 0.02 0.00 0.00 176.35 175.31 1ups s ILE 417 N 2.55 3.42 0.25 -0.59 1.01 0.21 -4.95 121.20 123.10 1ups s ILE 417 Ca 0.24 -1.29 -0.31 0.00 0.00 0.00 0.00 60.65 59.29 1ups s ILE 417 Cb -0.15 -2.97 -0.12 0.00 0.01 0.00 0.00 42.46 39.23 1ups s ILE 417 CO 0.12 -0.18 1.60 -2.65 0.00 0.00 0.00 174.94 173.84 1ups n PRO 418 N 4.72 2.58 -4.09 2.79 -0.02 -1.26 -0.47 135.00 139.25 1ups n PRO 418 Ca -0.12 0.92 -0.10 0.00 -2.02 0.00 0.00 63.50 62.18 1ups n PRO 418 Cb 0.44 -2.71 -0.10 0.00 -0.02 0.00 0.00 33.50 31.11 1ups n PRO 418 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1ups s VAL 419 N 0.40 0.42 -2.00 -1.45 -7.23 -0.35 -4.86 120.40 105.33 1ups s VAL 419 Ca 0.69 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.34 1ups s VAL 419 Cb -0.54 -1.13 0.00 0.00 0.56 0.00 0.00 36.38 35.27 1ups s VAL 419 CO 0.43 -0.73 0.50 -0.62 -0.31 0.00 0.00 175.10 174.37