#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u05 s SER 2 N 0.00 6.04 -0.04 3.17 0.15 -1.26 -4.33 113.70 117.43 1u05 s SER 2 Ca 0.00 1.91 -0.25 0.00 0.70 0.00 0.00 55.95 58.31 1u05 s SER 2 Cb 0.00 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.75 1u05 s SER 2 CO 0.00 -1.49 0.78 -0.54 1.20 0.00 0.00 173.24 173.19 1u05 s LYS 3 N 5.29 4.48 -0.09 5.44 1.02 -1.23 -4.99 119.74 129.65 1u05 s LYS 3 Ca 0.86 1.05 0.01 0.00 0.02 0.00 0.00 55.97 57.91 1u05 s LYS 3 Cb -0.31 -3.44 0.02 0.00 -0.52 0.00 0.00 37.83 33.57 1u05 s LYS 3 CO 0.34 0.05 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.53 1u05 s LEU 4 N 0.80 1.56 0.15 3.17 2.96 -1.26 -3.96 118.68 122.10 1u05 s LEU 4 Ca 0.42 -0.34 -0.30 0.00 -0.22 0.00 0.00 54.13 53.69 1u05 s LEU 4 Cb -0.19 -0.91 -0.07 0.00 0.50 0.00 0.00 46.19 45.53 1u05 s LEU 4 CO 0.21 -0.01 1.05 -0.63 -1.32 0.00 0.00 176.35 175.66 1u05 s ILE 5 N 1.01 4.09 -0.25 6.68 1.01 -0.12 -4.94 121.20 128.69 1u05 s ILE 5 Ca -0.07 1.77 -0.01 0.00 0.00 0.00 0.00 60.65 62.34 1u05 s ILE 5 Cb -0.15 -4.13 0.03 0.00 0.01 0.00 0.00 42.46 38.22 1u05 s ILE 5 CO -0.01 0.29 -0.07 -0.69 0.00 0.00 0.00 174.94 174.46 1u05 s VAL 6 N -0.13 2.73 -0.16 2.92 1.01 -1.26 -1.74 120.40 123.76 1u05 s VAL 6 Ca 0.49 -1.12 -0.38 0.00 0.00 0.00 0.00 61.98 60.96 1u05 s VAL 6 Cb -0.27 -2.41 -0.15 0.00 0.00 0.00 0.00 36.38 33.55 1u05 s VAL 6 CO 0.33 0.18 1.68 -2.65 0.00 0.00 0.00 175.10 174.64 1u05 n PRO 7 N 4.63 1.35 -2.57 2.72 -0.02 -1.26 -4.89 135.00 134.96 1u05 n PRO 7 Ca -0.16 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 1u05 n PRO 7 Cb 0.46 -2.20 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 1u05 n PRO 7 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1u05 s GLN 8 N 2.94 3.70 0.18 -0.52 -1.52 -1.26 -4.89 119.66 118.28 1u05 s GLN 8 Ca 0.94 -1.37 -0.18 0.00 -1.95 0.00 0.00 55.36 52.80 1u05 s GLN 8 Cb -0.97 -5.40 0.04 0.00 -0.22 0.00 0.00 33.01 26.45 1u05 s GLN 8 CO 0.59 -2.21 0.53 1.67 -0.25 0.00 0.00 175.29 175.61 1u05 s TRP 9 N 4.74 -0.21 -0.77 0.91 1.48 -1.26 -4.61 118.94 119.21 1u05 s TRP 9 Ca 0.48 -0.11 -0.10 0.00 -1.06 0.00 0.00 56.10 55.32 1u05 s TRP 9 Cb 0.01 0.42 -0.08 0.00 -1.16 0.00 0.00 33.47 32.66 1u05 s TRP 9 CO -0.05 -0.88 1.94 -2.30 -4.06 0.00 0.00 176.95 171.60 1u05 n PRO 10 N -0.33 1.70 -1.66 3.25 -0.02 -1.26 -4.90 135.00 131.77 1u05 n PRO 10 Ca -0.12 -1.44 -0.60 0.00 -2.02 0.00 0.00 63.50 59.32 1u05 n PRO 10 Cb 0.63 -2.52 -0.08 0.00 -0.02 0.00 0.00 33.50 31.51 1u05 n PRO 10 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1u05 n LEU 11 N 5.16 1.46 -4.77 2.45 7.94 -1.26 -4.88 117.00 123.09 1u05 n LEU 11 Ca 0.41 1.13 -0.36 0.00 -1.11 0.00 0.00 56.01 56.09 1u05 n LEU 11 Cb 0.19 -1.03 -0.01 0.00 0.53 0.00 0.00 43.42 43.10 1u05 n LEU 11 CO 0.77 -0.94 0.80 -2.84 -1.11 0.00 0.00 177.39 174.07 1u05 s PRO 12 N 2.16 3.60 0.25 1.96 0.02 -1.26 -4.93 135.00 136.79 1u05 s PRO 12 Ca 0.96 1.67 -0.06 0.00 0.02 0.00 0.00 61.00 63.60 1u05 s PRO 12 Cb -1.21 -2.22 0.44 0.00 0.02 0.00 0.00 34.50 31.52 1u05 s PRO 12 CO 0.65 -0.66 1.35 1.63 -0.33 0.00 0.00 177.00 179.64 1u05 n LYS 13 N -0.85 -0.08 -0.89 5.54 5.02 -1.26 -0.72 118.16 124.92 1u05 n LYS 13 Ca 0.09 1.34 -0.12 0.00 -2.02 0.00 0.00 58.31 57.60 1u05 n LYS 13 Cb 0.50 -2.02 0.19 0.00 -0.02 0.00 0.00 35.03 33.68 1u05 n LYS 13 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1u05 n GLY 14 N -1.53 3.59 3.22 0.72 0.00 -1.26 -4.91 105.19 105.02 1u05 n GLY 14 Ca 0.15 -0.82 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 1u05 n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u05 s VAL 15 N -2.53 1.61 -0.03 1.61 1.01 0.10 0.55 120.40 122.71 1u05 s VAL 15 Ca 0.44 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1u05 s VAL 15 Cb 0.36 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 35.40 1u05 s VAL 15 CO 0.10 0.40 -0.08 0.00 0.00 0.00 0.00 175.10 175.52 1u05 s ALA 16 N -0.54 0.78 -0.02 5.51 0.00 -0.89 -4.68 121.76 121.91 1u05 s ALA 16 Ca 0.08 -0.27 -0.05 0.00 0.00 0.00 0.00 51.96 51.72 1u05 s ALA 16 Cb -0.08 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.73 1u05 s ALA 16 CO -0.00 0.11 0.11 0.00 0.00 0.00 0.00 175.76 175.98 1u05 s ALA 17 N 0.28 -0.26 -0.06 0.00 0.00 -1.26 -2.03 121.76 118.44 1u05 s ALA 17 Ca -0.04 0.06 -0.20 0.00 0.00 0.00 0.00 51.96 51.78 1u05 s ALA 17 Cb -0.09 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.03 1u05 s ALA 17 CO 0.00 -0.12 0.46 0.00 0.00 0.00 0.00 175.76 176.10 1u05 s SER 19 N -0.99 1.88 0.45 0.00 0.15 -0.71 0.32 113.70 114.81 1u05 s SER 19 Ca -0.10 -0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.23 1u05 s SER 19 Cb -0.03 -0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 63.75 1u05 s SER 19 CO 0.05 0.13 0.70 -0.94 1.20 0.00 0.00 173.24 174.38 1u05 s SER 20 N 0.08 6.02 0.45 5.45 1.04 -0.10 -0.94 113.70 125.69 1u05 s SER 20 Ca -0.03 0.54 0.03 0.00 0.48 0.00 0.00 55.95 56.97 1u05 s SER 20 Cb -0.11 -1.85 -0.03 0.00 0.10 0.00 0.00 66.02 64.13 1u05 s SER 20 CO 0.02 -0.62 0.04 0.42 0.98 0.00 0.00 173.24 174.08 1u05 s THR 21 N -2.60 1.15 -1.93 2.02 -4.23 -1.25 -4.51 115.64 104.29 1u05 s THR 21 Ca 0.47 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.99 1u05 s THR 21 Cb -0.10 -2.41 0.04 0.00 1.34 0.00 0.00 72.50 71.37 1u05 s THR 21 CO 0.40 0.00 1.00 -2.11 -0.54 0.00 0.00 174.62 173.37 1u05 n ARG 22 N -1.06 1.11 -4.07 3.99 1.85 0.52 -4.62 116.66 114.37 1u05 n ARG 22 Ca -0.12 -0.16 -0.32 0.00 -1.00 0.00 0.00 57.85 56.25 1u05 n ARG 22 Cb 0.66 -1.07 -0.07 0.00 -1.05 0.00 0.00 32.46 30.94 1u05 n ARG 22 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1u05 s ILE 23 N -1.88 4.75 0.00 8.89 1.01 -1.26 -2.33 121.20 130.37 1u05 s ILE 23 Ca 0.03 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1u05 s ILE 23 Cb 0.02 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1u05 s ILE 23 CO 0.02 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.85 1u05 n GLY 24 N 0.94 0.49 0.00 6.18 0.00 -1.26 -3.52 105.19 108.01 1u05 n GLY 24 Ca -0.11 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1u05 n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u05 n GLY 25 N -2.78 1.69 0.00 -0.02 0.00 -1.26 -4.33 105.19 98.49 1u05 n GLY 25 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1u05 n GLY 25 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1u05 n VAL 26 N 0.00 0.00 -1.72 1.61 3.14 -1.25 -4.71 118.33 115.40 1u05 n VAL 26 Ca 0.00 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 61.07 1u05 n VAL 26 Cb 0.00 1.74 0.04 0.00 -1.06 0.00 0.00 33.84 34.55 1u05 n VAL 26 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1u05 s SER 27 N 0.00 5.61 0.32 6.55 0.01 -1.24 -5.00 113.70 119.94 1u05 s SER 27 Ca 0.00 1.62 0.08 0.00 1.31 0.00 0.00 55.95 58.96 1u05 s SER 27 Cb 0.00 -2.50 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 1u05 s SER 27 CO 0.00 -1.29 0.25 -0.76 0.41 0.00 0.00 173.24 171.85 1u05 s LEU 28 N -5.27 3.58 0.44 2.44 1.43 -1.26 -3.91 118.68 116.12 1u05 s LEU 28 Ca 0.59 -0.49 -0.23 0.00 -1.03 0.00 0.00 54.13 52.96 1u05 s LEU 28 Cb -0.14 -2.16 -0.11 0.00 0.03 0.00 0.00 46.19 43.81 1u05 s LEU 28 CO 0.51 -0.28 0.78 -2.65 0.23 0.00 0.00 176.35 174.93 1u05 n PRO 29 N -1.30 0.92 -0.07 1.29 -0.02 -1.26 -0.72 135.00 133.84 1u05 n PRO 29 Ca -0.03 0.33 0.01 0.00 -2.02 0.00 0.00 63.50 61.80 1u05 n PRO 29 Cb 0.60 -1.78 0.05 0.00 -0.02 0.00 0.00 33.50 32.34 1u05 n PRO 29 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1u05 n PRO 30 N 0.26 1.31 -0.68 0.52 -0.04 -1.26 -4.76 135.00 130.34 1u05 n PRO 30 Ca 0.11 -0.37 -0.01 0.00 -0.04 0.00 0.00 63.50 63.19 1u05 n PRO 30 Cb 0.40 -1.22 0.21 0.00 -0.04 0.00 0.00 33.50 32.85 1u05 n PRO 30 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1u05 n TYR 31 N -0.13 1.03 -1.44 0.54 4.02 0.10 -3.97 117.16 117.31 1u05 n TYR 31 Ca 0.03 -1.39 -0.47 0.00 -0.01 0.00 0.00 57.90 56.07 1u05 n TYR 31 Cb 0.16 -0.44 -0.10 0.00 -0.02 0.00 0.00 39.34 38.94 1u05 n TYR 31 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1u05 n ASP 32 N -0.98 1.27 0.00 7.72 5.75 -0.98 -4.27 116.55 125.07 1u05 n ASP 32 Ca 0.30 0.25 0.00 0.00 -0.01 0.00 0.00 54.79 55.33 1u05 n ASP 32 Cb 0.99 -1.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 1u05 n ASP 32 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1u05 n SER 33 N 10.52 0.00 -3.40 -1.12 7.64 -1.12 -4.81 113.62 121.33 1u05 n SER 33 Ca 0.51 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 60.04 1u05 n SER 33 Cb 0.16 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.33 1u05 n SER 33 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1u05 n LEU 34 N -0.65 6.73 -4.59 -3.43 7.94 -0.99 -3.69 117.00 118.32 1u05 n LEU 34 Ca 0.00 -3.73 -0.42 0.00 -1.11 0.00 0.00 56.01 50.75 1u05 n LEU 34 Cb 0.00 -1.39 -0.05 0.00 0.53 0.00 0.00 43.42 42.51 1u05 n LEU 34 CO 0.00 1.17 0.62 0.21 -1.11 0.00 0.00 177.39 178.27 1u05 s ASN 35 N 3.08 6.57 0.08 1.96 3.04 -1.26 -4.68 114.94 123.73 1u05 s ASN 35 Ca 0.55 0.37 0.24 0.00 0.04 0.00 0.00 52.86 54.06 1u05 s ASN 35 Cb 0.15 -2.41 0.35 0.00 -1.54 0.00 0.00 41.25 37.79 1u05 s ASN 35 CO -0.04 -0.78 1.30 0.18 -3.04 0.00 0.00 177.10 174.73 1u05 n LEU 36 N 6.53 0.63 -4.73 3.21 4.77 -0.98 -4.51 117.00 121.92 1u05 n LEU 36 Ca 0.04 0.13 -0.41 0.00 -0.03 0.00 0.00 56.01 55.74 1u05 n LEU 36 Cb 0.48 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.35 1u05 n LEU 36 CO 0.55 0.01 0.82 -0.83 -1.33 0.00 0.00 177.39 176.61 1u05 s GLY 37 N -3.48 2.71 -0.05 -0.72 0.00 -1.26 -4.93 107.32 99.58 1u05 s GLY 37 Ca 0.07 0.82 0.19 0.00 0.00 0.00 0.00 44.72 45.80 1u05 s GLY 37 CO 0.73 1.79 1.54 0.00 0.00 0.00 0.00 173.10 177.15 1u05 n ALA 38 N 2.93 2.67 -2.05 3.20 0.00 -1.26 -4.45 120.51 121.55 1u05 n ALA 38 Ca 0.05 -1.45 0.05 0.00 0.00 0.00 0.00 53.44 52.09 1u05 n ALA 38 Cb 0.46 -0.89 0.11 0.00 0.00 0.00 0.00 19.45 19.13 1u05 n ALA 38 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1u05 n HIS 39 N 1.19 0.00 -0.01 0.00 8.25 -1.26 -4.74 115.22 118.65 1u05 n HIS 39 Ca 0.23 -0.94 0.00 0.00 -0.26 0.00 0.00 57.72 56.75 1u05 n HIS 39 Cb 0.72 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.64 1u05 n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u05 n GLY 41 N -0.42 0.77 3.76 0.00 0.00 -1.26 -4.71 105.19 103.33 1u05 n GLY 41 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1u05 n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u05 s ASP 42 N -2.45 3.87 -0.23 1.61 2.15 -1.26 -4.93 116.67 115.43 1u05 s ASP 42 Ca 0.00 1.36 -0.29 0.00 0.43 0.00 0.00 52.55 54.05 1u05 s ASP 42 Cb 0.00 -2.05 -0.04 0.00 -0.30 0.00 0.00 42.92 40.53 1u05 s ASP 42 CO 0.00 -2.37 1.89 0.21 -0.17 0.00 0.00 175.17 174.73 1u05 s ASN 43 N -3.68 5.96 0.58 -0.34 3.84 -1.26 -4.88 114.94 115.17 1u05 s ASN 43 Ca 0.62 1.70 0.32 0.00 0.21 0.00 0.00 52.86 55.71 1u05 s ASN 43 Cb -0.16 -2.52 1.39 0.00 -0.55 0.00 0.00 41.25 39.40 1u05 s ASN 43 CO 0.55 -1.59 1.72 1.55 -2.79 0.00 0.00 177.10 176.55 1u05 h PRO 44 N 12.66 0.00 0.03 0.43 0.13 -1.97 0.20 132.00 143.48 1u05 h PRO 44 Ca -0.37 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.51 1u05 h PRO 44 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 1u05 h PRO 44 CO 0.99 0.00 -1.26 -0.44 -0.23 0.00 0.00 178.00 177.06 1u05 h ASP 45 N 0.00 0.10 -0.39 1.44 3.32 -2.00 -3.11 116.42 115.79 1u05 h ASP 45 Ca 0.41 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.28 1u05 h ASP 45 Cb 2.01 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 41.52 1u05 h ASP 45 CO -0.00 1.10 0.03 0.45 -1.72 0.00 0.00 179.24 179.10 1u05 h HIS 46 N 0.02 0.72 -0.48 4.55 3.86 -1.36 -0.59 115.15 121.86 1u05 h HIS 46 Ca -0.12 -0.11 0.01 0.00 -1.16 0.00 0.00 60.37 58.99 1u05 h HIS 46 Cb 1.88 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 30.14 1u05 h HIS 46 CO 0.02 0.73 0.32 0.28 0.86 0.00 0.00 177.93 180.14 1u05 h VAL 47 N 0.50 1.11 -0.30 2.45 2.07 -1.52 0.27 116.25 120.83 1u05 h VAL 47 Ca 0.11 -0.22 -0.15 0.00 0.82 0.00 0.00 66.70 67.27 1u05 h VAL 47 Cb 0.42 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1u05 h VAL 47 CO 0.01 0.12 -0.40 -0.33 0.02 0.00 0.00 177.57 176.99 1u05 h GLU 48 N 0.63 0.80 -0.23 1.57 4.39 -1.38 -1.78 114.58 118.58 1u05 h GLU 48 Ca 0.18 -0.46 -0.01 0.00 0.34 0.00 0.00 59.36 59.41 1u05 h GLU 48 Cb -0.04 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1u05 h GLU 48 CO -0.04 1.09 0.11 1.49 -1.16 0.00 0.00 179.01 180.50 1u05 h GLU 49 N 0.56 0.33 -0.56 2.33 4.57 0.12 0.80 114.58 122.74 1u05 h GLU 49 Ca 0.03 -0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1u05 h GLU 49 Cb 1.00 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.49 1u05 h GLU 49 CO 0.09 0.34 0.34 -0.91 -1.18 0.00 0.00 179.01 177.70 1u05 h ASN 50 N 0.24 0.57 -0.31 1.04 2.35 -0.48 0.87 115.58 119.86 1u05 h ASN 50 Ca 0.08 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1u05 h ASN 50 Cb 0.12 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1u05 h ASN 50 CO -0.01 0.40 0.10 0.03 -1.65 0.00 0.00 177.43 176.30 1u05 h ARG 51 N 0.69 0.49 -0.83 0.81 3.08 -1.10 -0.09 114.38 117.42 1u05 h ARG 51 Ca 0.22 -0.10 0.04 0.00 0.07 0.00 0.00 59.98 60.21 1u05 h ARG 51 Cb -0.00 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 1u05 h ARG 51 CO -0.08 0.53 0.54 -0.22 -1.07 0.00 0.00 179.97 179.67 1u05 h LYS 52 N 0.35 0.96 -0.15 0.04 3.64 -0.47 -0.72 116.57 120.22 1u05 h LYS 52 Ca 0.10 -0.06 -0.23 0.00 -1.27 0.00 0.00 60.65 59.20 1u05 h LYS 52 Cb 0.24 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1u05 h LYS 52 CO -0.00 0.64 -0.79 0.00 -2.27 0.00 0.00 179.45 177.03 1u05 h ARG 53 N 0.99 0.79 -0.05 1.90 3.08 -0.36 -3.05 114.38 117.68 1u05 h ARG 53 Ca 0.33 -0.65 -0.17 0.00 0.07 0.00 0.00 59.98 59.57 1u05 h ARG 53 Cb 0.08 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1u05 h ARG 53 CO -0.10 1.26 -0.70 1.25 -1.07 0.00 0.00 179.97 180.61 1u05 h LEU 54 N 0.54 0.31 -0.72 3.04 6.46 -0.68 -1.37 115.31 122.88 1u05 h LEU 54 Ca -0.06 -0.20 -0.07 0.00 -0.12 0.00 0.00 57.88 57.43 1u05 h LEU 54 Cb 1.42 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 41.23 1u05 h LEU 54 CO 0.16 0.91 0.17 -0.26 -0.62 0.00 0.00 178.44 178.80 1u05 h PHE 55 N 0.18 1.20 -0.11 1.25 0.05 -1.20 0.74 116.94 119.05 1u05 h PHE 55 Ca -0.02 -0.14 -0.02 0.00 3.82 0.00 0.00 57.97 61.61 1u05 h PHE 55 Cb 1.25 -0.34 -0.00 0.00 2.00 0.00 0.00 35.95 38.86 1u05 h PHE 55 CO 0.03 0.97 -0.01 0.00 -0.18 0.00 0.00 178.31 179.12 1u05 h ALA 56 N 1.09 0.14 -0.95 2.45 0.00 -1.42 -0.85 119.26 119.73 1u05 h ALA 56 Ca 0.22 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.02 1u05 h ALA 56 Cb 0.38 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1u05 h ALA 56 CO 0.00 -0.15 0.61 0.00 0.00 0.00 0.00 179.25 179.72 1u05 h ALA 57 N 0.71 1.53 -0.01 0.00 0.00 -1.05 -2.00 119.26 118.45 1u05 h ALA 57 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1u05 h ALA 57 Cb 0.39 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1u05 h ALA 57 CO 0.01 0.29 -0.10 0.41 0.00 0.00 0.00 179.25 179.86 1u05 n GLY 58 N -1.38 -0.48 3.88 0.00 0.00 0.24 -4.93 105.19 102.51 1u05 n GLY 58 Ca 0.16 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 1u05 n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u05 n ASN 59 N -0.43 -5.00 -4.74 1.61 3.02 -0.38 -4.89 115.26 104.45 1u05 n ASN 59 Ca 0.16 -0.75 -0.41 0.00 -0.03 0.00 0.00 54.58 53.55 1u05 n ASN 59 Cb 0.31 -4.02 -0.03 0.00 -0.61 0.00 0.00 39.78 35.44 1u05 n ASN 59 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1u05 s LEU 60 N -7.29 4.40 0.39 3.41 1.43 -0.87 -4.90 118.68 115.25 1u05 s LEU 60 Ca 0.66 2.55 0.14 0.00 -1.03 0.00 0.00 54.13 56.45 1u05 s LEU 60 Cb -0.32 -3.62 0.81 0.00 0.03 0.00 0.00 46.19 43.09 1u05 s LEU 60 CO 0.82 -0.63 1.87 1.55 0.23 0.00 0.00 176.35 180.19 1u05 h PRO 61 N 5.18 0.00 -3.38 1.29 0.13 -1.90 -3.47 132.00 129.85 1u05 h PRO 61 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 1u05 h PRO 61 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1u05 h PRO 61 CO 0.78 0.32 0.06 -1.54 -0.23 0.00 0.00 178.00 177.39 1u05 s SER 62 N -6.88 0.05 0.29 1.44 1.04 -1.26 -5.09 113.70 103.29 1u05 s SER 62 Ca -0.03 -0.99 -0.30 0.00 0.48 0.00 0.00 55.95 55.12 1u05 s SER 62 Cb 0.14 0.71 -0.11 0.00 0.10 0.00 0.00 66.02 66.86 1u05 s SER 62 CO 0.71 -1.36 1.50 -0.54 0.98 0.00 0.00 173.24 174.53 1u05 s LYS 63 N -3.41 4.19 0.48 4.02 1.02 -1.26 -4.75 119.74 120.03 1u05 s LYS 63 Ca 0.19 2.45 -0.24 0.00 0.02 0.00 0.00 55.97 58.39 1u05 s LYS 63 Cb -0.03 -3.05 -0.07 0.00 -0.52 0.00 0.00 37.83 34.15 1u05 s LYS 63 CO 0.11 -0.51 1.32 -1.25 -0.92 0.00 0.00 175.35 174.10 1u05 s PRO 64 N -0.71 3.57 -1.12 -1.68 0.04 -1.26 -4.54 135.00 129.30 1u05 s PRO 64 Ca 0.60 2.15 -0.15 0.00 0.04 0.00 0.00 61.00 63.64 1u05 s PRO 64 Cb -0.45 -2.48 0.16 0.00 0.04 0.00 0.00 34.50 31.77 1u05 s PRO 64 CO 0.48 -0.82 1.32 0.08 0.04 0.00 0.00 177.00 178.10 1u05 s VAL 65 N -1.32 4.99 0.29 -0.36 1.01 -0.77 -4.99 120.40 119.26 1u05 s VAL 65 Ca 0.64 -2.36 -0.30 0.00 0.00 0.00 0.00 61.98 59.96 1u05 s VAL 65 Cb -0.38 -4.85 -0.11 0.00 0.00 0.00 0.00 36.38 31.03 1u05 s VAL 65 CO 0.47 -1.56 1.60 0.26 0.00 0.00 0.00 175.10 175.87 1u05 s TRP 66 N 1.76 2.74 0.56 5.22 0.52 -1.26 -4.47 118.94 124.02 1u05 s TRP 66 Ca 0.39 0.76 0.03 0.00 0.02 0.00 0.00 56.10 57.30 1u05 s TRP 66 Cb -0.04 -4.08 0.05 0.00 -1.15 0.00 0.00 33.47 28.25 1u05 s TRP 66 CO -0.03 -3.65 0.78 -0.51 0.02 0.00 0.00 176.95 173.56 1u05 s LEU 67 N -0.47 3.27 -0.73 2.99 1.43 -1.26 -4.99 118.68 118.91 1u05 s LEU 67 Ca 0.64 -0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 53.36 1u05 s LEU 67 Cb -0.48 -2.53 0.19 0.00 0.03 0.00 0.00 46.19 43.40 1u05 s LEU 67 CO 0.48 -1.23 0.65 -1.61 0.23 0.00 0.00 176.35 174.87 1u05 s GLU 68 N -4.74 3.30 -0.22 1.70 2.02 -0.28 -4.96 118.70 115.52 1u05 s GLU 68 Ca 0.59 -2.29 -0.29 0.00 0.02 0.00 0.00 54.97 53.00 1u05 s GLU 68 Cb -0.09 -4.29 -0.02 0.00 0.10 0.00 0.00 34.13 29.83 1u05 s GLU 68 CO 0.39 -1.28 1.51 -0.65 0.02 0.00 0.00 175.26 175.25 1u05 s GLN 69 N 0.47 3.90 -0.17 1.61 -0.21 -1.22 -1.27 119.66 122.77 1u05 s GLN 69 Ca 0.14 1.61 0.17 0.00 0.02 0.00 0.00 55.36 57.30 1u05 s GLN 69 Cb -0.16 -3.97 0.43 0.00 1.00 0.00 0.00 33.01 30.31 1u05 s GLN 69 CO -0.06 -1.16 1.31 1.33 -2.12 0.00 0.00 175.29 174.59 1u05 n VAL 70 N 6.18 2.15 -2.29 1.09 0.24 -1.26 -4.97 118.33 119.48 1u05 n VAL 70 Ca 0.17 -2.20 -0.15 0.00 -2.04 0.00 0.00 64.34 60.12 1u05 n VAL 70 Cb 0.45 -0.26 -0.02 0.00 -1.47 0.00 0.00 33.84 32.55 1u05 n VAL 70 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1u05 n HIS 71 N -0.98 -1.13 -0.47 6.34 8.25 -1.26 -4.96 115.22 121.00 1u05 n HIS 71 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1u05 n HIS 71 Cb 0.80 -3.14 0.00 0.00 1.12 0.00 0.00 29.99 28.76 1u05 n HIS 71 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u05 n GLY 72 N -0.80 1.67 0.75 -1.41 0.00 -1.26 -3.71 105.19 100.42 1u05 n GLY 72 Ca -0.18 -1.74 0.02 0.00 0.00 0.00 0.00 46.02 44.12 1u05 n GLY 72 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1u05 n LYS 73 N 0.00 0.21 -3.07 1.61 2.85 -1.26 -4.17 118.16 114.33 1u05 n LYS 73 Ca 0.00 -1.56 -0.39 0.00 -1.05 0.00 0.00 58.31 55.31 1u05 n LYS 73 Cb 0.00 -0.51 -0.06 0.00 -0.65 0.00 0.00 35.03 33.81 1u05 n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1u05 s ASP 74 N -1.58 7.23 -0.17 -5.58 1.01 -1.26 -4.64 116.67 111.67 1u05 s ASP 74 Ca 0.15 1.46 -0.06 0.00 0.71 0.00 0.00 52.55 54.81 1u05 s ASP 74 Cb 0.16 -2.45 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 1u05 s ASP 74 CO -0.05 0.16 0.02 -0.69 0.21 0.00 0.00 175.17 174.82 1u05 s VAL 75 N -0.73 4.43 -0.41 -1.27 1.01 -1.26 -1.45 120.40 120.71 1u05 s VAL 75 Ca 0.35 -0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 1u05 s VAL 75 Cb -0.21 -2.97 0.06 0.00 0.00 0.00 0.00 36.38 33.26 1u05 s VAL 75 CO 0.23 0.48 0.25 -0.22 0.00 0.00 0.00 175.10 175.84 1u05 s LEU 76 N 0.30 5.03 -0.17 3.92 2.96 0.11 -4.94 118.68 125.89 1u05 s LEU 76 Ca 0.01 -1.29 -0.29 0.00 -0.22 0.00 0.00 54.13 52.33 1u05 s LEU 76 Cb -0.13 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 1u05 s LEU 76 CO 0.01 -0.49 1.45 -0.54 -1.32 0.00 0.00 176.35 175.46 1u05 s LYS 77 N 1.50 4.06 -1.38 1.98 1.02 -1.26 -2.06 119.74 123.59 1u05 s LYS 77 Ca 0.03 1.72 -0.10 0.00 0.02 0.00 0.00 55.97 57.64 1u05 s LYS 77 Cb -0.22 -3.91 -0.07 0.00 -0.52 0.00 0.00 37.83 33.12 1u05 s LYS 77 CO 0.04 -0.96 2.61 1.28 -0.92 0.00 0.00 175.35 177.41 1u05 n LEU 78 N 7.37 7.33 0.26 3.17 4.77 0.03 -4.63 117.00 135.29 1u05 n LEU 78 Ca 0.16 -3.88 0.15 0.00 -0.03 0.00 0.00 56.01 52.41 1u05 n LEU 78 Cb 0.45 -1.43 0.56 0.00 -2.33 0.00 0.00 43.42 40.67 1u05 n LEU 78 CO 0.61 1.47 0.92 0.71 -1.33 0.00 0.00 177.39 179.77 1u05 h THR 79 N 3.30 0.13 0.00 -5.08 1.35 -1.90 -3.46 112.91 107.24 1u05 h THR 79 Ca 0.72 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1u05 h THR 79 Cb 0.30 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1u05 h THR 79 CO 1.72 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 177.65 1u05 n GLY 80 N 0.22 1.94 0.28 5.82 0.00 -1.26 -5.02 105.19 107.17 1u05 n GLY 80 Ca 0.01 0.14 0.25 0.00 0.00 0.00 0.00 46.02 46.42 1u05 n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1u05 n GLU 81 N -0.14 -0.03 -2.36 1.61 1.02 -1.26 -3.81 120.64 115.68 1u05 n GLU 81 Ca 0.00 0.85 -0.36 0.00 -0.02 0.00 0.00 57.16 57.64 1u05 n GLU 81 Cb 0.00 -1.63 -0.04 0.00 -0.02 0.00 0.00 31.44 29.75 1u05 n GLU 81 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1u05 s PRO 82 N -4.79 3.21 0.21 3.49 0.02 -1.26 -4.96 135.00 130.92 1u05 s PRO 82 Ca -0.05 -0.95 0.07 0.00 0.02 0.00 0.00 61.00 60.08 1u05 s PRO 82 Cb 0.21 -5.27 -0.04 0.00 0.02 0.00 0.00 34.50 29.42 1u05 s PRO 82 CO 0.53 -2.73 0.13 0.71 -0.33 0.00 0.00 177.00 175.31 1u05 s TYR 83 N 7.02 3.06 0.00 6.54 1.51 -1.25 -5.07 117.35 129.16 1u05 s TYR 83 Ca 0.56 -0.09 0.00 0.00 -1.01 0.00 0.00 57.07 56.54 1u05 s TYR 83 Cb -0.02 -1.42 0.00 0.00 -0.11 0.00 0.00 41.96 40.41 1u05 s TYR 83 CO -0.03 0.53 0.00 0.00 -1.11 0.00 0.00 175.55 174.94 1u05 n ALA 84 N -0.69 0.00 -2.82 3.71 0.00 -1.26 -4.94 120.51 114.50 1u05 n ALA 84 Ca -0.08 -0.04 -0.33 0.00 0.00 0.00 0.00 53.44 52.99 1u05 n ALA 84 Cb 0.56 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.87 1u05 n ALA 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1u05 s SER 85 N -2.29 3.79 0.00 0.00 0.15 -1.26 -4.97 113.70 109.12 1u05 s SER 85 Ca 0.00 -0.33 0.23 0.00 0.70 0.00 0.00 55.95 56.55 1u05 s SER 85 Cb 0.00 -1.21 0.51 0.00 -1.71 0.00 0.00 66.02 63.61 1u05 s SER 85 CO 0.00 0.24 1.45 0.29 1.20 0.00 0.00 173.24 176.42 1u05 n LYS 86 N 3.02 2.56 -1.75 5.44 5.02 -1.26 -4.92 118.16 126.28 1u05 n LYS 86 Ca -0.18 -2.39 -0.42 0.00 -2.02 0.00 0.00 58.31 53.30 1u05 n LYS 86 Cb 0.52 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.97 1u05 n LYS 86 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1u05 s ARG 87 N -1.34 3.86 0.00 1.97 3.52 -1.26 -1.12 118.95 124.56 1u05 s ARG 87 Ca 0.42 2.31 0.00 0.00 -0.13 0.00 0.00 55.73 58.33 1u05 s ARG 87 Cb 0.24 -4.18 0.00 0.00 -1.56 0.00 0.00 34.95 29.45 1u05 s ARG 87 CO 0.32 -1.27 0.00 0.00 -0.81 0.00 0.00 175.30 173.54 1u05 n ALA 88 N 8.63 0.00 -1.47 6.12 0.00 -0.40 -4.87 120.51 128.52 1u05 n ALA 88 Ca 0.22 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.73 1u05 n ALA 88 Cb 0.43 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.01 1u05 n ALA 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1u05 n ASP 89 N 0.00 1.73 -3.51 0.00 8.00 -0.53 -3.38 116.55 118.86 1u05 n ASP 89 Ca 0.00 -3.09 -0.12 0.00 0.71 0.00 0.00 54.79 52.29 1u05 n ASP 89 Cb 0.00 -0.42 -0.04 0.00 -0.02 0.00 0.00 41.12 40.65 1u05 n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u05 s ALA 90 N -2.35 -1.79 0.02 2.24 0.00 -1.08 -1.16 121.76 117.63 1u05 s ALA 90 Ca 0.30 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.37 1u05 s ALA 90 Cb 0.28 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 1u05 s ALA 90 CO -0.02 -0.54 -0.03 -1.54 0.00 0.00 0.00 175.76 173.64 1u05 s SER 91 N -1.89 0.21 -0.03 0.00 1.04 -0.32 0.06 113.70 112.77 1u05 s SER 91 Ca -0.01 -0.43 0.04 0.00 0.48 0.00 0.00 55.95 56.03 1u05 s SER 91 Cb -0.01 0.08 -0.00 0.00 0.10 0.00 0.00 66.02 66.19 1u05 s SER 91 CO -0.03 -0.25 -0.14 -0.47 0.98 0.00 0.00 173.24 173.33 1u05 s TYR 92 N -1.25 1.35 -0.01 5.02 5.04 -0.88 -1.27 117.35 125.36 1u05 s TYR 92 Ca -0.14 -0.32 0.00 0.00 -2.44 0.00 0.00 57.07 54.17 1u05 s TYR 92 Cb -0.09 -0.90 0.01 0.00 0.35 0.00 0.00 41.96 41.33 1u05 s TYR 92 CO -0.01 -0.09 0.00 0.45 -1.34 0.00 0.00 175.55 174.56 1u05 s SER 93 N -0.07 0.13 -0.06 4.32 0.15 0.64 -0.79 113.70 118.02 1u05 s SER 93 Ca 0.00 -0.00 0.09 0.00 0.70 0.00 0.00 55.95 56.74 1u05 s SER 93 Cb -0.08 -0.05 0.14 0.00 -1.71 0.00 0.00 66.02 64.31 1u05 s SER 93 CO 0.01 -0.04 1.03 -0.46 1.20 0.00 0.00 173.24 174.98 1u05 n ASN 94 N 3.50 1.84 -4.36 5.45 6.94 -1.26 -0.12 115.26 127.26 1u05 n ASN 94 Ca -0.18 -2.44 -0.35 0.00 -0.02 0.00 0.00 54.58 51.59 1u05 n ASN 94 Cb 0.56 -0.22 -0.14 0.00 -2.36 0.00 0.00 39.78 37.62 1u05 n ASN 94 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1u05 s THR 95 N -1.72 3.46 0.34 5.53 2.01 -1.26 -4.92 115.64 119.08 1u05 s THR 95 Ca 0.15 -0.48 -0.29 0.00 0.31 0.00 0.00 61.69 61.38 1u05 s THR 95 Cb 0.13 -2.55 -0.11 0.00 0.01 0.00 0.00 72.50 69.98 1u05 s THR 95 CO 0.01 0.45 1.51 -2.84 -0.69 0.00 0.00 174.62 173.06 1u05 s PRO 96 N 1.11 4.13 0.00 4.92 0.02 -1.26 -2.73 135.00 141.20 1u05 s PRO 96 Ca 0.01 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.58 1u05 s PRO 96 Cb -0.15 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.38 1u05 s PRO 96 CO -0.00 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.54 1u05 n GLY 97 N 1.09 2.83 3.72 0.52 0.00 0.22 -4.99 105.19 108.57 1u05 n GLY 97 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1u05 n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u05 s THR 98 N -1.87 3.77 -0.32 2.61 2.01 -1.10 -4.08 115.64 116.65 1u05 s THR 98 Ca 0.00 1.29 -0.12 0.00 0.31 0.00 0.00 61.69 63.17 1u05 s THR 98 Cb 0.00 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 1u05 s THR 98 CO 0.00 0.11 0.22 -0.69 -0.69 0.00 0.00 174.62 173.57 1u05 s VAL 99 N 0.94 5.18 -0.16 3.82 1.01 -1.26 -4.24 120.40 125.70 1u05 s VAL 99 Ca 0.60 -0.16 -0.25 0.00 0.00 0.00 0.00 61.98 62.17 1u05 s VAL 99 Cb -0.32 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1u05 s VAL 99 CO 0.30 0.06 0.82 0.00 0.00 0.00 0.00 175.10 176.28 1u05 s ALA 101 N 2.02 0.34 -0.03 0.00 0.00 -1.26 -1.13 121.76 121.70 1u05 s ALA 101 Ca 0.38 -0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.18 1u05 s ALA 101 Cb -0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 22.87 1u05 s ALA 101 CO 0.13 0.08 -0.14 0.14 0.00 0.00 0.00 175.76 175.97 1u05 s VAL 102 N -0.14 1.14 -0.25 0.00 -7.23 -0.82 -4.50 120.40 108.60 1u05 s VAL 102 Ca 0.01 -0.56 -0.10 0.00 -1.81 0.00 0.00 61.98 59.52 1u05 s VAL 102 Cb -0.02 -0.99 -0.05 0.00 0.56 0.00 0.00 36.38 35.89 1u05 s VAL 102 CO -0.00 0.34 0.15 -0.32 -0.31 0.00 0.00 175.10 174.95 1u05 s MET 103 N 0.06 3.94 0.20 4.82 1.75 -1.26 -1.48 119.30 127.33 1u05 s MET 103 Ca -0.03 -0.33 -0.01 0.00 -1.25 0.00 0.00 55.69 54.07 1u05 s MET 103 Cb -0.10 -3.53 -0.04 0.00 2.84 0.00 0.00 34.83 34.00 1u05 s MET 103 CO 0.01 -0.07 0.11 0.95 -0.65 0.00 0.00 175.02 175.37 1u05 s THR 104 N 1.41 0.12 -0.39 10.11 -4.23 0.15 -4.98 115.64 117.83 1u05 s THR 104 Ca 0.07 -1.99 0.06 0.00 -1.18 0.00 0.00 61.69 58.65 1u05 s THR 104 Cb -0.15 -2.46 0.30 0.00 1.34 0.00 0.00 72.50 71.53 1u05 s THR 104 CO 0.07 -0.07 1.24 0.00 -0.54 0.00 0.00 174.62 175.32 1u05 n ALA 105 N -0.28 -0.92 0.00 3.99 0.00 -1.26 0.06 120.51 122.10 1u05 n ALA 105 Ca 0.01 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.41 1u05 n ALA 105 Cb 0.66 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1u05 n ALA 105 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1u05 n ASP 106 N -0.04 0.00 -4.69 0.00 8.00 -1.26 -1.28 116.55 117.27 1u05 n ASP 106 Ca -0.05 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.12 1u05 n ASP 106 Cb 0.75 0.00 0.13 0.00 -0.02 0.00 0.00 41.12 41.97 1u05 n ASP 106 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u05 s LEU 108 N -5.51 4.20 -0.10 0.00 2.96 -0.95 -4.61 118.68 114.67 1u05 s LEU 108 Ca 0.74 1.76 -0.13 0.00 -0.22 0.00 0.00 54.13 56.28 1u05 s LEU 108 Cb -0.30 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.81 1u05 s LEU 108 CO 0.50 -0.77 0.29 -2.84 -1.32 0.00 0.00 176.35 172.22 1u05 s PRO 109 N 3.47 3.97 -0.03 0.98 0.02 -1.26 0.23 135.00 142.38 1u05 s PRO 109 Ca 0.57 0.14 0.01 0.00 0.02 0.00 0.00 61.00 61.73 1u05 s PRO 109 Cb -0.23 -3.31 0.02 0.00 0.02 0.00 0.00 34.50 31.00 1u05 s PRO 109 CO 0.17 0.50 -0.03 0.08 -0.33 0.00 0.00 177.00 177.39 1u05 s VAL 110 N -0.34 0.35 -0.06 3.83 1.01 0.24 0.05 120.40 125.49 1u05 s VAL 110 Ca 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.14 1u05 s VAL 110 Cb -0.14 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 1u05 s VAL 110 CO 0.07 0.17 -0.08 -0.76 0.00 0.00 0.00 175.10 174.50 1u05 s LEU 111 N 0.82 3.12 0.09 3.92 1.43 -0.41 0.06 118.68 127.72 1u05 s LEU 111 Ca -0.10 -0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.01 1u05 s LEU 111 Cb -0.13 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 1u05 s LEU 111 CO -0.01 0.35 -0.15 -0.36 0.23 0.00 0.00 176.35 176.42 1u05 s PHE 112 N -0.82 1.34 -0.22 0.29 0.08 0.13 -1.31 117.98 117.48 1u05 s PHE 112 Ca 0.13 -0.49 -0.27 0.00 0.12 0.00 0.00 56.93 56.41 1u05 s PHE 112 Cb -0.11 -0.74 0.13 0.00 -0.57 0.00 0.00 43.02 41.73 1u05 s PHE 112 CO 0.02 0.10 1.03 0.00 -0.10 0.00 0.00 175.22 176.28 1u05 s ASN 114 N -0.42 6.79 0.35 0.00 4.22 -0.96 -0.84 114.94 124.07 1u05 s ASN 114 Ca 0.01 1.27 0.13 0.00 -2.14 0.00 0.00 52.86 52.13 1u05 s ASN 114 Cb -0.03 -2.37 0.96 0.00 1.28 0.00 0.00 41.25 41.10 1u05 s ASN 114 CO -0.03 -0.17 1.75 0.03 -2.04 0.00 0.00 177.10 176.64 1u05 h ARG 115 N 2.40 0.50 0.00 3.55 3.08 -1.55 0.54 114.38 122.91 1u05 h ARG 115 Ca -0.48 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1u05 h ARG 115 Cb 1.18 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1u05 h ARG 115 CO 0.66 0.33 0.00 0.00 -1.07 0.00 0.00 179.97 179.89 1u05 n ALA 116 N -2.37 1.64 -3.17 0.04 0.00 -1.26 -4.75 120.51 110.63 1u05 n ALA 116 Ca 0.26 0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.58 1u05 n ALA 116 Cb 0.79 -1.31 0.05 0.00 0.00 0.00 0.00 19.45 18.98 1u05 n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u05 n GLY 117 N -0.04 -0.02 0.14 0.00 0.00 0.19 -4.83 105.19 100.63 1u05 n GLY 117 Ca 0.03 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 46.00 1u05 n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1u05 n THR 118 N -4.00 0.00 -3.67 2.61 -2.24 -1.26 -4.67 114.28 101.05 1u05 n THR 118 Ca -0.01 -0.41 -0.11 0.00 -2.27 0.00 0.00 64.05 61.25 1u05 n THR 118 Cb 0.55 1.07 -0.08 0.00 -2.10 0.00 0.00 70.33 69.76 1u05 n THR 118 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1u05 s GLU 119 N -1.23 0.63 0.37 -0.78 -1.05 -1.26 -4.61 118.70 110.76 1u05 s GLU 119 Ca 0.06 0.93 0.05 0.00 -0.15 0.00 0.00 54.97 55.85 1u05 s GLU 119 Cb 0.06 0.20 -0.06 0.00 -0.44 0.00 0.00 34.13 33.88 1u05 s GLU 119 CO 0.21 -0.12 0.05 0.14 0.95 0.00 0.00 175.26 176.48 1u05 s VAL 120 N 0.95 1.37 -0.14 1.83 -7.23 0.84 -2.27 120.40 115.74 1u05 s VAL 120 Ca -0.05 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.83 1u05 s VAL 120 Cb -0.05 -2.78 0.09 0.00 0.56 0.00 0.00 36.38 34.20 1u05 s VAL 120 CO -0.08 0.00 0.79 0.00 -0.31 0.00 0.00 175.10 175.49 1u05 s ALA 121 N -3.10 -1.83 -0.01 1.32 0.00 -0.08 -0.26 121.76 117.80 1u05 s ALA 121 Ca 0.33 1.58 0.04 0.00 0.00 0.00 0.00 51.96 53.91 1u05 s ALA 121 Cb 0.08 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 1u05 s ALA 121 CO 0.15 -0.34 -0.13 0.00 0.00 0.00 0.00 175.76 175.45 1u05 s ALA 122 N -0.71 1.08 -0.01 0.00 0.00 -0.39 0.21 121.76 121.95 1u05 s ALA 122 Ca -0.05 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.38 1u05 s ALA 122 Cb -0.02 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 1u05 s ALA 122 CO 0.05 0.25 -0.05 0.08 0.00 0.00 0.00 175.76 176.08 1u05 s VAL 123 N -0.21 0.44 -0.35 0.00 1.01 0.11 -1.18 120.40 120.22 1u05 s VAL 123 Ca 0.03 -0.23 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 1u05 s VAL 123 Cb -0.06 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 35.96 1u05 s VAL 123 CO -0.00 0.13 0.17 -2.28 0.00 0.00 0.00 175.10 173.12 1u05 s HIS 124 N -0.08 3.22 -0.48 5.22 5.65 -0.31 -0.59 115.29 127.91 1u05 s HIS 124 Ca 0.02 -0.89 0.03 0.00 0.25 0.00 0.00 55.06 54.46 1u05 s HIS 124 Cb -0.03 -2.39 0.12 0.00 -1.18 0.00 0.00 32.58 29.11 1u05 s HIS 124 CO -0.00 -0.59 0.22 0.00 -0.65 0.00 0.00 174.74 173.71 1u05 s ALA 125 N 1.55 3.22 0.95 1.58 0.00 0.14 -4.80 121.76 124.39 1u05 s ALA 125 Ca 0.02 -3.05 -0.15 0.00 0.00 0.00 0.00 51.96 48.78 1u05 s ALA 125 Cb -0.18 -2.16 0.18 0.00 0.00 0.00 0.00 23.12 20.95 1u05 s ALA 125 CO 0.06 -1.93 1.28 0.20 0.00 0.00 0.00 175.76 175.37 1u05 s GLY 126 N 0.20 1.73 0.16 0.00 0.00 -1.26 -2.24 107.32 105.91 1u05 s GLY 126 Ca 0.15 -1.07 -0.16 0.00 0.00 0.00 0.00 44.72 43.64 1u05 s GLY 126 CO -0.03 -0.35 1.80 0.11 0.00 0.00 0.00 173.10 174.63 1u05 h TRP 127 N -1.58 0.46 -0.17 1.90 5.08 -1.98 0.67 115.95 120.33 1u05 h TRP 127 Ca -0.45 0.01 0.04 0.00 1.08 0.00 0.00 58.89 59.57 1u05 h TRP 127 Cb 1.26 -0.15 -0.04 0.00 -3.00 0.00 0.00 29.16 27.23 1u05 h TRP 127 CO -0.90 0.27 -0.07 0.00 -1.28 0.00 0.00 178.44 176.46 1u05 h ARG 128 N 0.49 -0.05 -0.51 0.12 3.08 -1.93 0.71 114.38 116.30 1u05 h ARG 128 Ca 0.16 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.10 1u05 h ARG 128 Cb -0.01 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1u05 h ARG 128 CO -0.06 -0.03 -0.10 0.78 -1.07 0.00 0.00 179.97 179.48 1u05 h GLY 129 N -0.05 1.02 0.90 0.04 0.00 -1.62 0.16 103.07 103.52 1u05 h GLY 129 Ca 0.09 -0.80 -0.00 0.00 0.00 0.00 0.00 47.33 46.62 1u05 h GLY 129 CO -0.20 0.73 -0.15 -2.00 0.00 0.00 0.00 176.54 174.92 1u05 h LEU 130 N 0.84 -0.37 -0.94 3.11 5.85 -0.12 0.57 115.31 124.25 1u05 h LEU 130 Ca 0.14 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1u05 h LEU 130 Cb 0.64 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 1u05 h LEU 130 CO 0.04 -0.23 0.57 0.00 -0.34 0.00 0.00 178.44 178.48 1u05 n ALA 132 N -2.39 2.20 -1.99 0.00 0.00 0.56 -4.89 120.51 114.00 1u05 n ALA 132 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1u05 n ALA 132 Cb 0.06 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1u05 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u05 n GLY 133 N 0.36 0.56 0.15 0.00 0.00 -0.19 -4.98 105.19 101.09 1u05 n GLY 133 Ca 0.14 -0.49 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 1u05 n GLY 133 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1u05 h VAL 134 N 0.00 1.42 -0.19 1.61 3.04 -1.09 -2.37 116.25 118.67 1u05 h VAL 134 Ca 0.00 -2.04 -0.12 0.00 -1.01 0.00 0.00 66.70 63.53 1u05 h VAL 134 Cb 0.94 2.08 -0.01 0.00 -2.01 0.00 0.00 31.29 32.29 1u05 h VAL 134 CO 0.00 0.59 -0.38 -0.07 -1.01 0.00 0.00 177.57 176.70 1u05 h LEU 135 N 0.06 0.44 -0.33 3.16 3.38 -1.85 -1.58 115.31 118.59 1u05 h LEU 135 Ca -0.01 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 57.63 1u05 h LEU 135 Cb 1.09 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1u05 h LEU 135 CO 0.08 0.78 -0.40 -0.33 0.09 0.00 0.00 178.44 178.66 1u05 h GLU 136 N 0.35 0.86 0.00 1.13 3.07 -1.87 -2.01 114.58 116.11 1u05 h GLU 136 Ca 0.04 -0.48 -0.08 0.00 -0.50 0.00 0.00 59.36 58.33 1u05 h GLU 136 Cb 0.83 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.76 1u05 h GLU 136 CO 0.07 1.12 -0.39 0.93 -1.40 0.00 0.00 179.01 179.34 1u05 h GLU 137 N 0.65 0.00 0.34 2.33 4.39 -1.27 -1.97 114.58 119.05 1u05 h GLU 137 Ca 0.04 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1u05 h GLU 137 Cb 1.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1u05 h GLU 137 CO 0.10 0.39 -0.17 1.15 -1.16 0.00 0.00 179.01 179.32 1u05 h THR 138 N 0.00 0.46 -0.93 1.13 2.02 -1.17 -3.16 112.91 111.27 1u05 h THR 138 Ca -0.00 -0.72 0.21 0.00 0.77 0.00 0.00 66.41 66.67 1u05 h THR 138 Cb 0.76 0.72 -0.12 0.00 -1.74 0.00 0.00 68.15 67.77 1u05 h THR 138 CO 0.05 0.10 0.48 0.58 0.37 0.00 0.00 175.52 177.10 1u05 h VAL 139 N -0.96 0.58 0.00 3.16 2.07 -1.31 0.21 116.25 119.99 1u05 h VAL 139 Ca -0.05 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1u05 h VAL 139 Cb 0.52 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1u05 h VAL 139 CO 0.08 0.10 0.00 -1.54 0.02 0.00 0.00 177.57 176.23 1u05 n SER 140 N -4.93 0.17 0.10 0.57 3.41 -0.75 -1.30 113.62 110.89 1u05 n SER 140 Ca 0.22 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.51 1u05 n SER 140 Cb 0.62 -0.58 0.24 0.00 -0.26 0.00 0.00 64.21 64.23 1u05 n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u05 s PHE 142 N -3.17 3.23 0.25 0.00 0.08 -0.42 -4.93 117.98 113.03 1u05 s PHE 142 Ca 0.07 1.29 -0.02 0.00 0.12 0.00 0.00 56.93 58.39 1u05 s PHE 142 Cb 0.12 -3.37 0.31 0.00 -0.57 0.00 0.00 43.02 39.51 1u05 s PHE 142 CO 0.68 -1.06 1.73 0.00 -0.10 0.00 0.00 175.22 176.46 1u05 h ALA 143 N 7.47 1.06 -2.22 5.36 0.00 -1.88 -3.44 119.26 125.62 1u05 h ALA 143 Ca -0.31 -0.29 -0.45 0.00 0.00 0.00 0.00 54.91 53.85 1u05 h ALA 143 Cb 1.14 -0.18 0.19 0.00 0.00 0.00 0.00 17.79 18.95 1u05 h ALA 143 CO 0.89 0.58 0.08 0.34 0.00 0.00 0.00 179.25 181.15 1u05 s ASP 144 N -6.69 1.62 0.07 0.00 -1.08 -1.26 -5.00 116.67 104.33 1u05 s ASP 144 Ca -0.09 1.48 -0.19 0.00 -0.52 0.00 0.00 52.55 53.23 1u05 s ASP 144 Cb 0.14 -2.20 -0.07 0.00 -1.46 0.00 0.00 42.92 39.33 1u05 s ASP 144 CO 0.81 -3.80 0.56 -0.54 0.52 0.00 0.00 175.17 172.73 1u05 s LYS 145 N -4.62 4.18 0.33 4.34 -0.14 -1.26 -4.97 119.74 117.61 1u05 s LYS 145 Ca 0.67 0.72 0.10 0.00 -1.36 0.00 0.00 55.97 56.11 1u05 s LYS 145 Cb -0.23 -3.22 1.01 0.00 -1.68 0.00 0.00 37.83 33.71 1u05 s LYS 145 CO 0.62 0.63 1.59 -1.35 -0.76 0.00 0.00 175.35 176.09 1u05 h PRO 146 N 4.49 0.06 -1.13 -1.68 0.11 -1.90 1.10 132.00 133.06 1u05 h PRO 146 Ca -0.50 -0.00 0.33 0.00 0.11 0.00 0.00 66.00 65.94 1u05 h PRO 146 Cb 1.21 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.20 1u05 h PRO 146 CO 0.63 0.04 0.72 1.05 -0.21 0.00 0.00 178.00 180.23 1u05 h GLU 147 N 0.07 0.28 -0.89 1.05 4.11 -1.92 0.19 114.58 117.47 1u05 h GLU 147 Ca 0.70 -0.02 -0.34 0.00 0.07 0.00 0.00 59.36 59.78 1u05 h GLU 147 Cb 1.64 -0.06 -0.20 0.00 0.50 0.00 0.00 28.75 30.63 1u05 h GLU 147 CO -0.80 0.18 0.43 0.09 0.07 0.00 0.00 179.01 178.98 1u05 n ASN 148 N -4.70 4.16 -4.34 3.06 3.02 0.38 -4.76 115.26 112.07 1u05 n ASN 148 Ca 0.30 -3.29 -0.32 0.00 -0.03 0.00 0.00 54.58 51.24 1u05 n ASN 148 Cb 1.07 -0.77 -0.15 0.00 -0.61 0.00 0.00 39.78 39.32 1u05 n ASN 148 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1u05 s ILE 149 N -2.89 2.70 -0.13 2.41 1.01 0.68 -1.22 121.20 123.77 1u05 s ILE 149 Ca 0.51 -0.81 -0.07 0.00 0.00 0.00 0.00 60.65 60.28 1u05 s ILE 149 Cb 0.42 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1u05 s ILE 149 CO 0.11 0.55 0.13 -0.76 0.00 0.00 0.00 174.94 174.98 1u05 s LEU 150 N 0.06 4.33 -0.09 2.97 1.43 -0.02 -4.27 118.68 123.08 1u05 s LEU 150 Ca -0.07 0.42 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 1u05 s LEU 150 Cb -0.15 -2.06 0.02 0.00 0.03 0.00 0.00 46.19 44.03 1u05 s LEU 150 CO 0.05 0.38 -0.10 0.00 0.23 0.00 0.00 176.35 176.90 1u05 s ALA 151 N -0.83 1.31 -0.16 4.21 0.00 -0.87 -2.60 121.76 122.81 1u05 s ALA 151 Ca 0.14 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1u05 s ALA 151 Cb -0.12 -0.72 -0.00 0.00 0.00 0.00 0.00 23.12 22.28 1u05 s ALA 151 CO 0.03 -0.12 -0.15 -0.46 0.00 0.00 0.00 175.76 175.06 1u05 s TRP 152 N 1.11 2.79 -0.31 0.00 -0.11 -0.42 -0.21 118.94 121.79 1u05 s TRP 152 Ca -0.06 -1.07 -0.18 0.00 1.22 0.00 0.00 56.10 56.01 1u05 s TRP 152 Cb -0.14 -1.90 -0.01 0.00 -1.50 0.00 0.00 33.47 29.91 1u05 s TRP 152 CO -0.02 -0.50 0.53 -0.51 -4.62 0.00 0.00 176.95 171.84 1u05 s LEU 153 N 0.87 4.19 0.85 5.86 1.43 -0.31 -1.29 118.68 130.28 1u05 s LEU 153 Ca -0.04 0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 53.21 1u05 s LEU 153 Cb -0.15 -2.65 0.14 0.00 0.03 0.00 0.00 46.19 43.56 1u05 s LEU 153 CO -0.01 -0.40 1.19 -0.83 0.23 0.00 0.00 176.35 176.52 1u05 s GLY 154 N 1.67 1.73 0.19 -3.19 0.00 0.11 -1.60 107.32 106.23 1u05 s GLY 154 Ca 0.21 -1.16 -0.32 0.00 0.00 0.00 0.00 44.72 43.45 1u05 s GLY 154 CO 0.12 -0.53 1.73 -1.05 0.00 0.00 0.00 173.10 173.36 1u05 n PRO 155 N -3.38 2.72 -4.01 2.90 -0.02 -1.26 -4.40 135.00 127.55 1u05 n PRO 155 Ca 0.13 0.98 -0.15 0.00 -2.02 0.00 0.00 63.50 62.44 1u05 n PRO 155 Cb 0.60 -2.83 -0.03 0.00 -0.02 0.00 0.00 33.50 31.22 1u05 n PRO 155 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u05 n ALA 156 N 4.14 -0.27 -2.30 3.55 0.00 -1.26 -4.50 120.51 119.87 1u05 n ALA 156 Ca 0.16 -1.65 -0.42 0.00 0.00 0.00 0.00 53.44 51.53 1u05 n ALA 156 Cb 0.35 1.33 -0.03 0.00 0.00 0.00 0.00 19.45 21.10 1u05 n ALA 156 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1u05 s ILE 157 N -2.85 3.92 1.00 0.00 2.07 -0.48 -0.55 121.20 124.31 1u05 s ILE 157 Ca 0.30 1.26 -0.15 0.00 -1.41 0.00 0.00 60.65 60.64 1u05 s ILE 157 Cb -0.01 -3.81 0.19 0.00 0.13 0.00 0.00 42.46 38.97 1u05 s ILE 157 CO 0.21 -0.03 1.18 -0.83 -1.91 0.00 0.00 174.94 173.57 1u05 s GLY 158 N 1.90 1.63 0.00 1.50 0.00 -1.26 -4.62 107.32 106.46 1u05 s GLY 158 Ca 0.61 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.52 1u05 s GLY 158 CO 0.24 -0.11 0.34 -1.55 0.00 0.00 0.00 173.10 172.01 1u05 n PRO 159 N -4.04 0.39 -0.00 2.90 -0.04 -1.25 -0.75 135.00 132.22 1u05 n PRO 159 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1u05 n PRO 159 Cb 0.59 -1.05 -0.00 0.00 -0.04 0.00 0.00 33.50 33.00 1u05 n PRO 159 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1u05 n ARG 160 N -0.28 4.90 0.00 0.54 1.74 -1.26 -4.69 116.66 117.61 1u05 n ARG 160 Ca 0.00 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1u05 n ARG 160 Cb 0.03 -0.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 1u05 n ARG 160 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u05 n ALA 161 N -1.15 1.36 -2.40 7.54 0.00 -0.67 -4.91 120.51 120.28 1u05 n ALA 161 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1u05 n ALA 161 Cb 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 19.45 1u05 n ALA 161 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1u05 n PHE 162 N -1.03 4.11 -3.05 0.00 7.35 0.07 -4.92 117.46 119.99 1u05 n PHE 162 Ca 0.00 -2.50 -0.40 0.00 -0.76 0.00 0.00 57.45 53.80 1u05 n PHE 162 Cb 0.02 -2.62 -0.05 0.00 0.35 0.00 0.00 39.48 37.18 1u05 n PHE 162 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1u05 s GLU 163 N 4.74 4.40 0.12 -4.13 2.12 -1.26 -0.94 118.70 123.76 1u05 s GLU 163 Ca 0.57 0.84 0.02 0.00 0.36 0.00 0.00 54.97 56.77 1u05 s GLU 163 Cb 0.03 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 1u05 s GLU 163 CO 0.09 0.01 -0.04 0.14 -0.54 0.00 0.00 175.26 174.91 1u05 s VAL 164 N 1.00 0.70 0.99 3.70 -7.23 -0.29 -4.97 120.40 114.30 1u05 s VAL 164 Ca 0.36 -1.96 -0.13 0.00 -1.81 0.00 0.00 61.98 58.45 1u05 s VAL 164 Cb -0.17 -1.84 0.18 0.00 0.56 0.00 0.00 36.38 35.11 1u05 s VAL 164 CO 0.17 -0.73 1.11 -0.83 -0.31 0.00 0.00 175.10 174.50 1u05 s GLY 165 N -3.09 1.56 0.44 2.32 0.00 -1.26 -1.98 107.32 105.32 1u05 s GLY 165 Ca 0.16 -0.44 0.21 0.00 0.00 0.00 0.00 44.72 44.65 1u05 s GLY 165 CO -0.02 0.17 1.92 0.00 0.00 0.00 0.00 173.10 175.18 1u05 h ALA 166 N -1.83 1.26 -0.46 3.20 0.00 -1.96 -2.91 119.26 116.56 1u05 h ALA 166 Ca -0.54 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.04 1u05 h ALA 166 Cb 1.33 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1u05 h ALA 166 CO 0.59 0.30 -0.15 1.05 0.00 0.00 0.00 179.25 181.04 1u05 h GLU 167 N 0.00 0.92 -0.29 0.00 9.09 -1.96 -1.73 114.58 120.61 1u05 h GLU 167 Ca -0.00 -0.37 0.05 0.00 0.05 0.00 0.00 59.36 59.09 1u05 h GLU 167 Cb 0.55 -0.04 -0.05 0.00 -1.65 0.00 0.00 28.75 27.57 1u05 h GLU 167 CO 0.03 1.03 0.00 0.28 0.05 0.00 0.00 179.01 180.40 1u05 h VAL 168 N 0.76 0.79 -0.49 -1.06 2.07 -1.88 1.09 116.25 117.53 1u05 h VAL 168 Ca 0.11 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1u05 h VAL 168 Cb 0.71 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1u05 h VAL 168 CO 0.05 0.02 0.30 -0.09 0.02 0.00 0.00 177.57 177.87 1u05 h ARG 169 N 0.09 0.67 0.00 1.57 2.43 -1.57 -1.90 114.38 115.66 1u05 h ARG 169 Ca 0.14 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 1u05 h ARG 169 Cb 0.18 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1u05 h ARG 169 CO -0.23 0.48 -0.32 0.93 -1.51 0.00 0.00 179.97 179.32 1u05 h GLU 170 N 0.66 0.00 -0.50 0.20 5.08 -0.56 -2.14 114.58 117.31 1u05 h GLU 170 Ca 0.18 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1u05 h GLU 170 Cb -0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1u05 h GLU 170 CO -0.03 0.32 -0.04 0.00 -1.00 0.00 0.00 179.01 178.26 1u05 h ALA 171 N 1.68 0.68 -0.06 3.43 0.00 0.20 -2.46 119.26 122.73 1u05 h ALA 171 Ca -0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1u05 h ALA 171 Cb 0.70 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1u05 h ALA 171 CO 0.04 0.53 -0.15 0.74 0.00 0.00 0.00 179.25 180.41 1u05 h PHE 172 N 0.78 0.27 0.00 0.00 0.04 -1.18 -3.17 116.94 113.68 1u05 h PHE 172 Ca 0.14 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 1u05 h PHE 172 Cb 0.57 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.67 1u05 h PHE 172 CO 0.04 0.76 -0.03 0.52 -0.60 0.00 0.00 178.31 179.00 1u05 h MET 173 N -0.30 0.00 -0.80 1.51 2.86 -1.42 -1.54 114.93 115.25 1u05 h MET 173 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1u05 h MET 173 Cb 0.76 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1u05 h MET 173 CO 0.03 0.03 0.00 0.00 1.06 0.00 0.00 176.91 178.04 1u05 n ALA 174 N -2.30 2.24 0.00 6.32 0.00 -0.93 -2.32 120.51 123.52 1u05 n ALA 174 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1u05 n ALA 174 Cb 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1u05 n ALA 174 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1u05 n VAL 175 N 0.07 0.00 -3.11 0.00 0.31 -0.61 -5.00 118.33 109.99 1u05 n VAL 175 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1u05 n VAL 175 Cb 0.20 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.09 1u05 n VAL 175 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1u05 s ASP 176 N -2.65 -0.26 0.17 4.52 3.68 -1.03 -5.01 116.67 116.09 1u05 s ASP 176 Ca 0.00 -1.80 0.00 0.00 2.13 0.00 0.00 52.55 52.88 1u05 s ASP 176 Cb 0.00 1.12 0.00 0.00 -1.45 0.00 0.00 42.92 42.59 1u05 s ASP 176 CO 0.00 -0.15 0.62 0.00 0.13 0.00 0.00 175.17 175.77 1u05 n ALA 177 N 3.50 0.00 1.17 3.66 0.00 -0.98 0.29 120.51 128.15 1u05 n ALA 177 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.74 1u05 n ALA 177 Cb 0.52 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.59 1u05 n ALA 177 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1u05 n LYS 178 N -1.37 0.35 0.12 0.00 5.02 -1.26 -2.92 118.16 118.11 1u05 n LYS 178 Ca 0.00 0.05 0.11 0.00 -2.02 0.00 0.00 58.31 56.45 1u05 n LYS 178 Cb 0.62 -1.50 0.47 0.00 -0.02 0.00 0.00 35.03 34.60 1u05 n LYS 178 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1u05 n ALA 179 N -1.28 1.61 -0.11 7.82 0.00 0.15 -3.09 120.51 125.61 1u05 n ALA 179 Ca 0.12 0.08 0.24 0.00 0.00 0.00 0.00 53.44 53.88 1u05 n ALA 179 Cb 0.20 -1.36 0.70 0.00 0.00 0.00 0.00 19.45 18.98 1u05 n ALA 179 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1u05 h SER 180 N 0.00 0.03 1.24 0.00 0.87 -1.78 0.38 113.55 114.29 1u05 h SER 180 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1u05 h SER 180 Cb 0.32 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1u05 h SER 180 CO 0.00 0.01 0.00 0.00 -0.53 0.00 0.00 176.83 176.31 1u05 h ALA 181 N 1.63 1.00 -0.04 6.23 0.00 -1.84 -3.06 119.26 123.18 1u05 h ALA 181 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1u05 h ALA 181 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1u05 h ALA 181 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.24 1u05 n ALA 182 N -1.86 2.59 -3.15 0.00 0.00 0.12 -4.82 120.51 113.39 1u05 n ALA 182 Ca 0.04 -0.40 -0.29 0.00 0.00 0.00 0.00 53.44 52.80 1u05 n ALA 182 Cb 0.36 -1.22 -0.17 0.00 0.00 0.00 0.00 19.45 18.42 1u05 n ALA 182 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1u05 s PHE 183 N -1.96 2.04 0.03 0.00 0.08 -1.16 -0.95 117.98 116.07 1u05 s PHE 183 Ca 0.38 -0.74 0.08 0.00 0.12 0.00 0.00 56.93 56.78 1u05 s PHE 183 Cb 0.20 -1.39 -0.03 0.00 -0.57 0.00 0.00 43.02 41.23 1u05 s PHE 183 CO 0.32 -0.30 -0.24 0.42 -0.10 0.00 0.00 175.22 175.32 1u05 s ILE 184 N 0.30 1.94 0.32 0.64 1.01 -0.92 -4.91 121.20 119.56 1u05 s ILE 184 Ca -0.12 -1.25 -0.28 0.00 0.00 0.00 0.00 60.65 58.99 1u05 s ILE 184 Cb -0.15 -1.65 -0.09 0.00 0.01 0.00 0.00 42.46 40.57 1u05 s ILE 184 CO 0.05 0.35 1.12 -1.10 0.00 0.00 0.00 174.94 175.37 1u05 s GLN 185 N -1.08 4.47 -0.43 2.79 -0.21 -1.26 0.94 119.66 124.88 1u05 s GLN 185 Ca 0.10 1.81 0.05 0.00 0.02 0.00 0.00 55.36 57.34 1u05 s GLN 185 Cb -0.09 -3.03 0.17 0.00 1.00 0.00 0.00 33.01 31.06 1u05 s GLN 185 CO 0.01 0.06 0.52 -1.58 -2.12 0.00 0.00 175.29 172.18 1u05 s HIS 186 N -1.26 -0.69 0.00 0.91 2.46 0.99 -4.76 115.29 112.94 1u05 s HIS 186 Ca 0.48 -0.84 0.00 0.00 0.47 0.00 0.00 55.06 55.17 1u05 s HIS 186 Cb -0.31 -0.15 0.00 0.00 -0.13 0.00 0.00 32.58 31.98 1u05 s HIS 186 CO 0.40 -1.07 0.00 0.41 -2.47 0.00 0.00 174.74 172.01 1u05 n GLY 187 N 3.62 0.63 0.32 1.59 0.00 -1.26 -2.41 105.19 107.68 1u05 n GLY 187 Ca 0.17 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1u05 n GLY 187 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1u05 n ASP 188 N 0.51 0.58 -3.52 1.61 3.85 -1.26 -4.77 116.55 113.55 1u05 n ASP 188 Ca 0.00 -1.79 -0.22 0.00 -0.71 0.00 0.00 54.79 52.07 1u05 n ASP 188 Cb 0.00 -0.29 -0.07 0.00 -1.35 0.00 0.00 41.12 39.41 1u05 n ASP 188 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1u05 n LYS 189 N -0.14 0.51 -4.29 0.11 4.01 -1.01 -4.41 118.16 112.94 1u05 n LYS 189 Ca 0.00 -3.25 -0.16 0.00 -0.51 0.00 0.00 58.31 54.39 1u05 n LYS 189 Cb 0.14 2.10 -0.10 0.00 -0.51 0.00 0.00 35.03 36.66 1u05 n LYS 189 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 1u05 s TYR 190 N -3.12 1.43 -0.40 2.13 1.51 -0.84 -0.01 117.35 118.05 1u05 s TYR 190 Ca 0.27 -0.71 -0.11 0.00 -1.01 0.00 0.00 57.07 55.50 1u05 s TYR 190 Cb 0.01 -0.71 0.05 0.00 -0.11 0.00 0.00 41.96 41.20 1u05 s TYR 190 CO 0.19 0.16 0.24 -0.51 -1.11 0.00 0.00 175.55 174.52 1u05 s LEU 191 N -3.23 4.95 0.35 -1.29 1.43 0.27 -1.14 118.68 120.03 1u05 s LEU 191 Ca 0.19 -1.18 -0.12 0.00 -1.03 0.00 0.00 54.13 52.00 1u05 s LEU 191 Cb 0.02 -2.03 -0.07 0.00 0.03 0.00 0.00 46.19 44.13 1u05 s LEU 191 CO 0.03 -0.46 0.72 0.00 0.23 0.00 0.00 176.35 176.88 1u05 s ALA 192 N 1.53 3.37 -0.59 4.21 0.00 -0.11 -2.18 121.76 127.99 1u05 s ALA 192 Ca 0.02 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 51.88 1u05 s ALA 192 Cb -0.21 -2.69 0.15 0.00 0.00 0.00 0.00 23.12 20.37 1u05 s ALA 192 CO 0.05 0.19 0.36 0.34 0.00 0.00 0.00 175.76 176.71 1u05 s ASP 193 N -2.72 4.68 0.55 0.00 -1.08 -0.12 -3.83 116.67 114.15 1u05 s ASP 193 Ca 0.52 -3.15 0.26 0.00 -0.52 0.00 0.00 52.55 49.66 1u05 s ASP 193 Cb -0.10 -1.70 1.47 0.00 -1.46 0.00 0.00 42.92 41.12 1u05 s ASP 193 CO 0.25 -0.23 2.01 -0.29 0.52 0.00 0.00 175.17 177.42 1u05 h ILE 194 N 5.20 0.63 -0.19 4.11 2.10 -1.87 0.04 117.51 127.52 1u05 h ILE 194 Ca -0.02 0.00 -0.18 0.00 1.08 0.00 0.00 64.86 65.74 1u05 h ILE 194 Cb 0.88 0.76 0.01 0.00 -1.09 0.00 0.00 36.82 37.37 1u05 h ILE 194 CO 0.71 0.00 -0.60 1.88 -1.08 0.00 0.00 178.15 179.06 1u05 h TYR 195 N 0.00 0.98 -0.54 2.19 0.05 -1.92 -1.61 116.97 116.12 1u05 h TYR 195 Ca 0.19 -0.39 -0.10 0.00 0.05 0.00 0.00 58.73 58.48 1u05 h TYR 195 Cb 0.86 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.41 1u05 h TYR 195 CO 0.00 1.20 -0.05 0.37 -1.05 0.00 0.00 178.16 178.63 1u05 h GLN 196 N 0.47 0.97 -0.57 4.88 4.15 -1.46 -0.77 115.11 122.78 1u05 h GLN 196 Ca -0.02 -0.32 -0.08 0.00 0.77 0.00 0.00 58.65 59.00 1u05 h GLN 196 Cb 1.22 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.81 1u05 h GLN 196 CO 0.13 0.98 0.03 -0.07 -1.93 0.00 0.00 178.83 177.98 1u05 h LEU 197 N 0.88 0.95 -0.17 -2.39 3.38 -1.12 -2.23 115.31 114.61 1u05 h LEU 197 Ca 0.15 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1u05 h LEU 197 Cb 0.59 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1u05 h LEU 197 CO 0.04 1.01 0.07 0.00 0.09 0.00 0.00 178.44 179.64 1u05 h ALA 198 N 0.98 0.22 -0.95 1.53 0.00 -0.99 -2.55 119.26 117.50 1u05 h ALA 198 Ca 0.16 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.09 1u05 h ALA 198 Cb 0.50 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1u05 h ALA 198 CO 0.02 -0.19 0.60 0.00 0.00 0.00 0.00 179.25 179.69 1u05 h ARG 199 N 0.11 0.86 0.24 0.00 3.08 -1.01 0.17 114.38 117.84 1u05 h ARG 199 Ca 0.06 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1u05 h ARG 199 Cb 0.18 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1u05 h ARG 199 CO -0.00 0.57 -0.12 1.96 -1.07 0.00 0.00 179.97 181.31 1u05 h GLN 200 N 0.89 -0.31 -0.62 0.04 4.20 -1.14 0.15 115.11 118.32 1u05 h GLN 200 Ca 0.47 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 59.16 1u05 h GLN 200 Cb 0.53 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 1u05 h GLN 200 CO -0.23 -0.07 0.23 0.00 -0.67 0.00 0.00 178.83 178.10 1u05 h ARG 201 N -0.53 0.92 -0.41 1.46 2.47 -1.05 -0.31 114.38 116.92 1u05 h ARG 201 Ca -0.03 -0.16 -0.02 0.00 -1.26 0.00 0.00 59.98 58.51 1u05 h ARG 201 Cb 0.39 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.54 1u05 h ARG 201 CO 0.05 0.77 0.17 -0.07 0.56 0.00 0.00 179.97 181.45 1u05 h LEU 202 N 0.90 0.56 -0.38 3.04 3.38 -0.49 -2.42 115.31 119.91 1u05 h LEU 202 Ca 0.21 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1u05 h LEU 202 Cb 0.20 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1u05 h LEU 202 CO -0.02 0.57 0.23 0.00 0.09 0.00 0.00 178.44 179.31 1u05 h ALA 203 N 1.02 0.48 -0.63 1.53 0.00 -0.19 -1.52 119.26 119.95 1u05 h ALA 203 Ca 0.14 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.17 1u05 h ALA 203 Cb 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1u05 h ALA 203 CO -0.01 -0.02 0.47 -0.91 0.00 0.00 0.00 179.25 178.78 1u05 h ASN 204 N 0.50 0.00 0.94 0.00 2.35 -0.79 0.83 115.58 119.41 1u05 h ASN 204 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1u05 h ASN 204 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1u05 h ASN 204 CO -0.02 0.00 -0.60 0.58 -1.65 0.00 0.00 177.43 175.74 1u05 h VAL 205 N 0.00 0.00 0.00 2.81 2.07 -0.82 -3.48 116.25 116.83 1u05 h VAL 205 Ca 0.30 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1u05 h VAL 205 Cb 1.23 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1u05 h VAL 205 CO -0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1u05 n GLY 206 N 1.32 2.79 3.55 2.17 0.00 0.29 -4.79 105.19 110.51 1u05 n GLY 206 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1u05 n GLY 206 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u05 n VAL 207 N -1.21 -0.05 0.22 1.61 0.31 -1.03 -4.32 118.33 113.86 1u05 n VAL 207 Ca 0.00 -0.65 0.11 0.00 -0.01 0.00 0.00 64.34 63.80 1u05 n VAL 207 Cb 0.00 -2.30 0.37 0.00 -0.91 0.00 0.00 33.84 31.00 1u05 n VAL 207 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1u05 h GLU 208 N 16.61 0.00 -4.74 5.55 5.08 -1.83 -3.39 114.58 131.86 1u05 h GLU 208 Ca -0.14 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.54 1u05 h GLU 208 Cb 1.18 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.18 1u05 h GLU 208 CO 1.14 0.14 -0.58 -0.65 -1.00 0.00 0.00 179.01 178.06 1u05 s GLN 209 N -3.42 3.02 -0.04 2.33 -0.21 -1.26 -5.07 119.66 115.01 1u05 s GLN 209 Ca 0.03 -0.92 0.01 0.00 0.02 0.00 0.00 55.36 54.51 1u05 s GLN 209 Cb 0.08 -3.50 0.02 0.00 1.00 0.00 0.00 33.01 30.61 1u05 s GLN 209 CO 0.64 -0.52 -0.06 0.42 -2.12 0.00 0.00 175.29 173.65 1u05 s ILE 210 N 1.52 0.61 0.41 1.08 1.01 -1.26 -2.05 121.20 122.53 1u05 s ILE 210 Ca 0.02 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.52 1u05 s ILE 210 Cb -0.18 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 1u05 s ILE 210 CO 0.04 0.23 0.06 -0.36 0.00 0.00 0.00 174.94 174.91 1u05 s PHE 211 N 0.74 1.96 0.00 3.97 0.40 0.70 -4.99 117.98 120.76 1u05 s PHE 211 Ca -0.11 -1.02 0.00 0.00 -0.60 0.00 0.00 56.93 55.20 1u05 s PHE 211 Cb -0.13 -1.40 0.00 0.00 0.51 0.00 0.00 43.02 41.99 1u05 s PHE 211 CO 0.01 0.03 0.00 0.41 0.70 0.00 0.00 175.22 176.37 1u05 n GLY 212 N -0.96 -0.04 2.20 4.36 0.00 -1.26 -1.17 105.19 108.32 1u05 n GLY 212 Ca -0.08 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 1u05 n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u05 n GLY 213 N 0.00 0.17 0.36 -0.02 0.00 -0.63 -4.82 105.19 100.26 1u05 n GLY 213 Ca 0.00 -0.51 0.05 0.00 0.00 0.00 0.00 46.02 45.57 1u05 n GLY 213 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1u05 n ASP 214 N 0.23 2.69 -4.74 1.61 3.85 -1.26 -5.00 116.55 113.93 1u05 n ASP 214 Ca -0.11 -2.44 -0.28 0.00 -0.71 0.00 0.00 54.79 51.26 1u05 n ASP 214 Cb 0.54 -0.26 -0.07 0.00 -1.35 0.00 0.00 41.12 39.97 1u05 n ASP 214 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1u05 s ARG 215 N -1.77 2.16 -0.25 0.11 1.81 -1.26 -5.13 118.95 114.62 1u05 s ARG 215 Ca 0.21 -2.06 -0.02 0.00 -1.72 0.00 0.00 55.73 52.14 1u05 s ARG 215 Cb 0.16 -1.81 0.13 0.00 -0.45 0.00 0.00 34.95 32.98 1u05 s ARG 215 CO 0.07 -0.22 0.36 0.00 -0.68 0.00 0.00 175.30 174.82 1u05 h THR 217 N 6.20 1.09 0.24 0.00 1.35 -1.14 -1.85 112.91 118.79 1u05 h THR 217 Ca -0.18 -0.30 -0.01 0.00 -0.55 0.00 0.00 66.41 65.37 1u05 h THR 217 Cb 1.15 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1u05 h THR 217 CO 0.28 0.16 -0.11 0.22 -0.25 0.00 0.00 175.52 175.81 1u05 h TYR 218 N 0.86 -0.29 0.22 4.73 3.20 -1.84 -3.37 116.97 120.48 1u05 h TYR 218 Ca 0.30 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 1u05 h TYR 218 Cb 0.09 0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.46 1u05 h TYR 218 CO -0.00 0.05 -0.10 1.15 -1.64 0.00 0.00 178.16 177.62 1u05 h THR 219 N -0.68 0.86 -0.21 1.81 2.02 -1.93 -3.33 112.91 111.45 1u05 h THR 219 Ca -0.03 -0.54 -0.69 0.00 0.77 0.00 0.00 66.41 65.92 1u05 h THR 219 Cb 0.48 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1u05 h THR 219 CO 0.05 0.12 3.40 -0.62 0.37 0.00 0.00 175.52 178.84 1u05 n GLU 220 N -5.10 3.57 0.20 6.66 1.02 -0.70 -4.70 120.64 121.59 1u05 n GLU 220 Ca -0.09 -2.53 0.14 0.00 -0.02 0.00 0.00 57.16 54.66 1u05 n GLU 220 Cb 0.22 -2.92 0.73 0.00 -0.02 0.00 0.00 31.44 29.45 1u05 n GLU 220 CO 0.00 0.00 0.00 -2.95 1.18 0.00 0.00 177.13 175.36 1u05 h ASN 221 N 5.27 0.00 0.38 1.62 7.08 -1.74 -0.29 115.58 127.90 1u05 h ASN 221 Ca 0.75 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.97 1u05 h ASN 221 Cb 0.40 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.64 1u05 h ASN 221 CO 1.77 0.00 -0.19 -1.84 -2.08 0.00 0.00 177.43 175.09 1u05 n GLU 222 N -2.46 0.61 0.00 4.14 0.00 -1.26 -4.16 120.64 117.52 1u05 n GLU 222 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 57.16 56.87 1u05 n GLU 222 Cb 0.05 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.00 1u05 n GLU 222 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 1u05 n THR 223 N -0.95 0.00 -4.34 3.84 -1.04 -0.20 -4.86 114.28 106.73 1u05 n THR 223 Ca 0.12 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.95 1u05 n THR 223 Cb 0.31 -0.95 -0.10 0.00 -1.82 0.00 0.00 70.33 67.77 1u05 n THR 223 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1u05 s PHE 224 N -1.98 1.63 0.38 -1.42 0.08 -0.72 -0.36 117.98 115.59 1u05 s PHE 224 Ca 0.00 -0.75 -0.02 0.00 0.12 0.00 0.00 56.93 56.27 1u05 s PHE 224 Cb 0.00 -0.87 -0.04 0.00 -0.57 0.00 0.00 43.02 41.54 1u05 s PHE 224 CO 0.00 0.16 0.63 -0.06 -0.10 0.00 0.00 175.22 175.84 1u05 s PHE 225 N -3.20 3.52 -0.21 0.36 0.08 -1.26 -4.58 117.98 112.68 1u05 s PHE 225 Ca 0.25 0.56 -0.05 0.00 0.12 0.00 0.00 56.93 57.80 1u05 s PHE 225 Cb 0.03 -2.07 0.11 0.00 -0.57 0.00 0.00 43.02 40.52 1u05 s PHE 225 CO 0.07 0.00 0.39 0.45 -0.10 0.00 0.00 175.22 176.04 1u05 s SER 226 N -3.88 -0.02 0.26 1.36 0.15 -1.26 -4.47 113.70 105.84 1u05 s SER 226 Ca 0.43 0.66 -0.01 0.00 0.70 0.00 0.00 55.95 57.72 1u05 s SER 226 Cb -0.10 1.22 0.35 0.00 -1.71 0.00 0.00 66.02 65.78 1u05 s SER 226 CO 0.38 -0.26 1.76 0.22 1.20 0.00 0.00 173.24 176.53 1u05 h TYR 227 N 8.18 0.80 -0.55 3.44 3.20 -1.52 0.20 116.97 130.72 1u05 h TYR 227 Ca -0.17 -0.12 -0.08 0.00 3.14 0.00 0.00 58.73 61.50 1u05 h TYR 227 Cb 1.13 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.16 1u05 h TYR 227 CO 0.22 0.76 0.03 -0.09 -1.64 0.00 0.00 178.16 177.45 1u05 h ARG 228 N 0.69 0.96 0.01 1.82 9.65 -1.93 -0.56 114.38 125.02 1u05 h ARG 228 Ca 0.13 -0.29 -0.09 0.00 -1.10 0.00 0.00 59.98 58.63 1u05 h ARG 228 Cb 0.48 -0.09 0.01 0.00 -1.39 0.00 0.00 29.97 28.97 1u05 h ARG 228 CO 0.02 0.95 -0.36 -0.09 2.80 0.00 0.00 179.97 183.30 1u05 h ARG 229 N 0.84 0.22 0.00 0.20 2.43 -1.86 -3.40 114.38 112.82 1u05 h ARG 229 Ca 0.16 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1u05 h ARG 229 Cb 0.50 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1u05 h ARG 229 CO 0.02 1.00 -0.98 -0.25 -1.51 0.00 0.00 179.97 178.25 1u05 n ASP 230 N -4.42 0.90 0.00 -3.80 8.00 0.68 -5.00 116.55 112.90 1u05 n ASP 230 Ca -0.10 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.76 1u05 n ASP 230 Cb 0.57 1.19 0.00 0.00 -0.02 0.00 0.00 41.12 42.85 1u05 n ASP 230 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1u05 n LYS 231 N -1.54 0.00 -3.52 -1.24 4.81 -0.22 -4.54 118.16 111.91 1u05 n LYS 231 Ca 0.01 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.05 1u05 n LYS 231 Cb 0.28 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.23 1u05 n LYS 231 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1u05 s THR 232 N 0.00 5.26 0.15 3.15 2.01 -1.26 -4.86 115.64 120.08 1u05 s THR 232 Ca 0.00 -0.32 -0.08 0.00 0.31 0.00 0.00 61.69 61.60 1u05 s THR 232 Cb 0.00 -3.75 0.03 0.00 0.01 0.00 0.00 72.50 68.79 1u05 s THR 232 CO 0.00 -0.07 0.42 1.07 -0.69 0.00 0.00 174.62 175.34 1u05 n THR 233 N 5.11 0.00 -1.39 -0.82 5.66 -1.26 -4.79 114.28 116.79 1u05 n THR 233 Ca -0.12 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 1u05 n THR 233 Cb 0.49 0.43 0.00 0.00 -1.55 0.00 0.00 70.33 69.70 1u05 n THR 233 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1u05 n GLY 234 N -0.29 -0.49 2.93 1.09 0.00 -1.25 -4.83 105.19 102.36 1u05 n GLY 234 Ca -0.03 -1.76 -0.11 0.00 0.00 0.00 0.00 46.02 44.12 1u05 n GLY 234 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u05 s ARG 235 N -2.70 0.18 0.47 1.61 1.81 -1.26 -4.76 118.95 114.31 1u05 s ARG 235 Ca 0.00 -0.32 0.07 0.00 -1.72 0.00 0.00 55.73 53.76 1u05 s ARG 235 Cb 0.00 0.02 0.01 0.00 -0.45 0.00 0.00 34.95 34.53 1u05 s ARG 235 CO 0.00 -0.02 0.44 -1.64 -0.68 0.00 0.00 175.30 173.40 1u05 s MET 236 N -0.75 2.44 -0.00 3.54 -1.94 0.11 -2.31 119.30 120.39 1u05 s MET 236 Ca -0.08 -1.67 -0.11 0.00 -1.71 0.00 0.00 55.69 52.13 1u05 s MET 236 Cb -0.05 -2.35 0.01 0.00 2.01 0.00 0.00 34.83 34.45 1u05 s MET 236 CO -0.00 -0.38 0.22 0.00 -0.01 0.00 0.00 175.02 174.84 1u05 s ALA 237 N -2.57 -0.54 -0.09 3.03 0.00 -1.26 -0.67 121.76 119.65 1u05 s ALA 237 Ca 0.46 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.52 1u05 s ALA 237 Cb -0.03 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 1u05 s ALA 237 CO 0.28 -0.24 -0.19 -1.12 0.00 0.00 0.00 175.76 174.48 1u05 s SER 238 N -1.40 3.52 -0.03 0.00 0.01 -0.55 -0.93 113.70 114.32 1u05 s SER 238 Ca -0.14 -0.42 0.05 0.00 1.31 0.00 0.00 55.95 56.75 1u05 s SER 238 Cb -0.06 -1.25 -0.01 0.00 0.21 0.00 0.00 66.02 64.91 1u05 s SER 238 CO 0.03 0.21 -0.17 -0.36 0.41 0.00 0.00 173.24 173.36 1u05 s PHE 239 N 0.07 1.62 0.02 2.43 0.08 0.15 -1.94 117.98 120.41 1u05 s PHE 239 Ca -0.08 -0.40 -0.02 0.00 0.12 0.00 0.00 56.93 56.55 1u05 s PHE 239 Cb -0.15 -1.08 -0.02 0.00 -0.57 0.00 0.00 43.02 41.20 1u05 s PHE 239 CO 0.05 -0.11 0.00 -1.50 -0.10 0.00 0.00 175.22 173.57 1u05 s ILE 240 N -0.12 0.12 -0.12 0.64 2.07 -0.29 -0.72 121.20 122.77 1u05 s ILE 240 Ca 0.00 -0.96 -0.31 0.00 -1.41 0.00 0.00 60.65 57.97 1u05 s ILE 240 Cb -0.10 -0.43 0.13 0.00 0.13 0.00 0.00 42.46 42.19 1u05 s ILE 240 CO 0.01 -0.53 1.05 -1.66 -1.91 0.00 0.00 174.94 171.90 1u05 s TRP 241 N -1.73 -0.26 0.04 3.50 -2.14 -0.86 -0.35 118.94 117.14 1u05 s TRP 241 Ca -0.13 0.28 -0.23 0.00 2.66 0.00 0.00 56.10 58.67 1u05 s TRP 241 Cb -0.08 0.50 -0.06 0.00 -3.10 0.00 0.00 33.47 30.74 1u05 s TRP 241 CO -0.02 -0.35 0.71 -0.51 -2.66 0.00 0.00 176.95 174.12 1u05 s LEU 242 N -1.91 4.45 0.00 -4.66 1.43 -1.26 -2.10 118.68 114.64 1u05 s LEU 242 Ca 0.05 1.37 0.19 0.00 -1.03 0.00 0.00 54.13 54.70 1u05 s LEU 242 Cb -0.01 -3.13 1.11 0.00 0.03 0.00 0.00 46.19 44.19 1u05 s LEU 242 CO -0.05 0.07 1.50 -0.38 0.23 0.00 0.00 176.35 177.73