#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1urk s VAL 7 N 0.00 4.49 0.49 1.69 -7.23 -1.26 -4.98 120.40 113.60 1urk s VAL 7 Ca 0.00 -1.01 0.27 0.00 -1.81 0.00 0.00 61.98 59.43 1urk s VAL 7 Cb 0.00 -3.26 0.46 0.00 0.56 0.00 0.00 36.38 34.14 1urk s VAL 7 CO 0.00 -0.05 1.84 -0.65 -0.31 0.00 0.00 175.10 175.93 1urk h PRO 8 N 2.62 0.16 -1.18 4.82 0.11 -2.11 -3.44 132.00 132.97 1urk h PRO 8 Ca -0.47 -0.01 0.28 0.00 0.11 0.00 0.00 66.00 65.91 1urk h PRO 8 Cb 1.19 -0.04 -0.22 0.00 0.11 0.00 0.00 31.00 32.05 1urk h PRO 8 CO 0.64 0.10 0.92 -1.54 -0.21 0.00 0.00 178.00 177.91 1urk s SER 9 N -5.48 -0.06 -0.35 -2.05 1.04 -1.26 -5.08 113.70 100.47 1urk s SER 9 Ca -0.06 0.02 0.13 0.00 0.48 0.00 0.00 55.95 56.52 1urk s SER 9 Cb 0.23 0.06 0.42 0.00 0.10 0.00 0.00 66.02 66.83 1urk s SER 9 CO 0.79 -0.09 1.40 0.59 0.98 0.00 0.00 173.24 176.90 1urk n ASN 10 N 0.10 -1.04 -1.18 7.02 4.13 -1.26 -5.13 115.26 117.90 1urk n ASN 10 Ca 0.02 -2.31 0.00 0.00 1.68 0.00 0.00 54.58 53.98 1urk n ASN 10 Cb 0.57 0.57 0.00 0.00 -1.54 0.00 0.00 39.78 39.38 1urk n ASN 10 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1urk n ASP 12 N 0.00 1.97 -3.63 0.00 9.92 -1.26 -5.04 116.55 118.51 1urk n ASP 12 Ca 0.00 -2.77 -0.11 0.00 -0.53 0.00 0.00 54.79 51.37 1urk n ASP 12 Cb 0.00 -0.51 -0.07 0.00 -0.64 0.00 0.00 41.12 39.90 1urk n ASP 12 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1urk n LEU 14 N 3.02 0.00 -1.68 0.00 -0.00 0.10 -4.60 117.00 113.84 1urk n LEU 14 Ca -0.15 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.69 1urk n LEU 14 Cb 0.56 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.94 1urk n LEU 14 CO 0.02 0.00 -0.20 0.59 -0.00 0.00 0.00 177.39 177.80 1urk n ASN 15 N 0.00 -5.06 0.00 1.45 4.13 -1.26 -1.54 115.26 112.99 1urk n ASN 15 Ca 0.00 0.18 0.00 0.00 1.68 0.00 0.00 54.58 56.44 1urk n ASN 15 Cb 0.00 -4.11 0.00 0.00 -1.54 0.00 0.00 39.78 34.13 1urk n ASN 15 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1urk n GLY 16 N -0.95 0.82 3.80 7.41 0.00 -1.26 -5.04 105.19 109.97 1urk n GLY 16 Ca -0.19 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 1urk n GLY 16 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1urk s GLY 17 N -2.35 2.41 -0.20 -0.02 0.00 -0.59 -4.78 107.32 101.80 1urk s GLY 17 Ca 0.00 0.53 -0.13 0.00 0.00 0.00 0.00 44.72 45.12 1urk s GLY 17 CO 0.00 0.84 0.26 -1.59 0.00 0.00 0.00 173.10 172.60 1urk s THR 18 N -2.12 5.31 0.02 0.90 2.01 -0.90 -4.78 115.64 116.08 1urk s THR 18 Ca 0.66 0.43 -0.11 0.00 0.31 0.00 0.00 61.69 62.97 1urk s THR 18 Cb -0.15 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 1urk s THR 18 CO 0.23 0.36 0.36 0.00 -0.69 0.00 0.00 174.62 174.87 1urk n VAL 20 N 1.45 0.00 -3.65 0.00 0.24 -1.25 -4.94 118.33 110.19 1urk n VAL 20 Ca -0.12 -1.24 -0.03 0.00 -2.04 0.00 0.00 64.34 60.91 1urk n VAL 20 Cb 0.53 0.46 -0.07 0.00 -1.47 0.00 0.00 33.84 33.29 1urk n VAL 20 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1urk s SER 21 N -2.29 -0.23 0.43 -1.34 1.04 -1.26 -4.35 113.70 105.69 1urk s SER 21 Ca 0.12 0.42 0.07 0.00 0.48 0.00 0.00 55.95 57.03 1urk s SER 21 Cb 0.01 0.69 0.01 0.00 0.10 0.00 0.00 66.02 66.82 1urk s SER 21 CO 0.08 -0.07 0.59 0.21 0.98 0.00 0.00 173.24 175.03 1urk s ASN 22 N 0.53 5.65 0.00 7.02 3.84 -1.25 -4.95 114.94 125.78 1urk s ASN 22 Ca 0.00 -0.32 0.00 0.00 0.21 0.00 0.00 52.86 52.75 1urk s ASN 22 Cb -0.04 -0.78 0.00 0.00 -0.55 0.00 0.00 41.25 39.88 1urk s ASN 22 CO -0.12 -0.77 0.00 1.17 -2.79 0.00 0.00 177.10 174.59 1urk n LYS 23 N -1.90 0.00 -1.06 0.43 0.00 -1.26 -4.37 118.16 110.00 1urk n LYS 23 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 58.31 58.14 1urk n LYS 23 Cb 0.59 -0.24 0.08 0.00 0.00 0.00 0.00 35.03 35.46 1urk n LYS 23 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1urk n TYR 24 N -1.95 2.34 -2.21 5.64 4.01 -1.26 -3.97 117.16 119.76 1urk n TYR 24 Ca 0.00 -2.26 0.02 0.00 -0.16 0.00 0.00 57.90 55.50 1urk n TYR 24 Cb 0.00 -1.10 0.01 0.00 -0.31 0.00 0.00 39.34 37.94 1urk n TYR 24 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1urk n PHE 25 N -0.37 0.00 -1.62 -0.72 7.35 -1.26 -4.96 117.46 115.88 1urk n PHE 25 Ca 0.46 -0.22 -0.04 0.00 -0.76 0.00 0.00 57.45 56.88 1urk n PHE 25 Cb 0.79 -0.07 -0.01 0.00 0.35 0.00 0.00 39.48 40.54 1urk n PHE 25 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1urk n SER 26 N 0.21 -2.76 -2.55 -2.13 2.88 -1.25 -4.20 113.62 103.81 1urk n SER 26 Ca 0.02 0.05 -0.05 0.00 -1.33 0.00 0.00 58.87 57.56 1urk n SER 26 Cb 0.88 -1.42 0.01 0.00 -0.75 0.00 0.00 64.21 62.93 1urk n SER 26 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1urk n ASN 27 N 1.23 -6.75 -3.71 -3.46 4.13 -1.26 -5.00 115.26 100.43 1urk n ASN 27 Ca -0.05 0.57 -0.29 0.00 1.68 0.00 0.00 54.58 56.49 1urk n ASN 27 Cb 0.35 -4.49 -0.12 0.00 -1.54 0.00 0.00 39.78 33.98 1urk n ASN 27 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1urk s ILE 28 N -2.09 1.69 0.85 2.41 -1.09 -1.26 -4.96 121.20 116.76 1urk s ILE 28 Ca 0.16 -3.14 -0.12 0.00 -2.23 0.00 0.00 60.65 55.31 1urk s ILE 28 Cb -0.04 -2.15 0.12 0.00 -1.58 0.00 0.00 42.46 38.81 1urk s ILE 28 CO 0.61 -1.00 1.20 -1.00 -1.23 0.00 0.00 174.94 173.53 1urk s HIS 29 N -0.30 2.40 -0.29 3.97 3.76 -1.26 -3.76 115.29 119.81 1urk s HIS 29 Ca 0.23 0.51 -0.20 0.00 -0.15 0.00 0.00 55.06 55.46 1urk s HIS 29 Cb -0.12 -3.67 0.17 0.00 1.11 0.00 0.00 32.58 30.07 1urk s HIS 29 CO -0.09 -2.05 1.17 1.67 -0.85 0.00 0.00 174.74 174.59 1urk s TRP 30 N -3.63 -0.30 0.61 1.40 -2.14 -1.26 -4.95 118.94 108.67 1urk s TRP 30 Ca 0.66 0.65 -0.19 0.00 2.66 0.00 0.00 56.10 59.88 1urk s TRP 30 Cb -0.08 0.29 -0.03 0.00 -3.10 0.00 0.00 33.47 30.55 1urk s TRP 30 CO 0.50 -0.15 1.19 0.00 -2.66 0.00 0.00 176.95 175.83 1urk n ASN 32 N -1.34 1.84 -4.92 0.00 5.15 0.07 -4.94 115.26 111.12 1urk n ASN 32 Ca 0.14 -3.06 -0.27 0.00 -0.60 0.00 0.00 54.58 50.79 1urk n ASN 32 Cb 0.47 -0.57 -0.03 0.00 -0.53 0.00 0.00 39.78 39.12 1urk n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1urk n PRO 34 N -1.03 0.24 0.21 0.00 -0.02 -1.26 -4.79 135.00 128.35 1urk n PRO 34 Ca -0.03 0.11 0.15 0.00 -2.02 0.00 0.00 63.50 61.71 1urk n PRO 34 Cb 0.54 -1.59 0.73 0.00 -0.02 0.00 0.00 33.50 33.16 1urk n PRO 34 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1urk h LYS 35 N -0.28 0.00 -0.61 -0.52 1.79 -2.02 -0.72 116.57 114.20 1urk h LYS 35 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1urk h LYS 35 Cb 1.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 1urk h LYS 35 CO 0.41 0.00 0.00 0.36 -1.08 0.00 0.00 179.45 179.14 1urk n LYS 36 N -2.52 2.02 -4.75 3.15 2.85 -1.26 -4.80 118.16 112.84 1urk n LYS 36 Ca -0.01 -1.00 -0.24 0.00 -1.05 0.00 0.00 58.31 56.01 1urk n LYS 36 Cb 0.10 -1.53 -0.15 0.00 -0.65 0.00 0.00 35.03 32.80 1urk n LYS 36 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1urk s PHE 37 N -1.63 1.44 0.22 5.58 0.08 -0.28 -1.80 117.98 121.60 1urk s PHE 37 Ca 0.18 -0.29 -0.11 0.00 0.12 0.00 0.00 56.93 56.82 1urk s PHE 37 Cb 0.12 -0.94 0.04 0.00 -0.57 0.00 0.00 43.02 41.68 1urk s PHE 37 CO 0.08 -0.04 0.59 0.41 -0.10 0.00 0.00 175.22 176.16 1urk n GLY 38 N 2.74 1.16 0.11 4.36 0.00 -0.32 -4.85 105.19 108.39 1urk n GLY 38 Ca -0.15 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1urk n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1urk n GLY 39 N -0.40 0.20 4.09 -0.02 0.00 -1.26 0.15 105.19 107.94 1urk n GLY 39 Ca -0.05 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1urk n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1urk n GLN 40 N 1.79 0.00 -1.78 1.61 0.00 -1.26 0.96 117.38 118.70 1urk n GLN 40 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 57.00 56.64 1urk n GLN 40 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 30.24 30.26 1urk n GLN 40 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1urk n HIS 41 N 0.00 2.61 -3.89 2.61 8.25 -1.26 -4.75 115.22 118.78 1urk n HIS 41 Ca 0.00 -2.24 -0.36 0.00 -0.26 0.00 0.00 57.72 54.86 1urk n HIS 41 Cb 0.00 -1.25 0.02 0.00 1.12 0.00 0.00 29.99 29.88 1urk n HIS 41 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1urk n GLU 43 N -4.02 2.83 -3.70 0.00 -0.00 0.26 -2.42 120.64 113.59 1urk n GLU 43 Ca -0.17 -3.83 -0.18 0.00 -0.00 0.00 0.00 57.16 52.99 1urk n GLU 43 Cb 0.61 -1.97 -0.17 0.00 -0.00 0.00 0.00 31.44 29.91 1urk n GLU 43 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1urk s ILE 44 N -4.04 -0.13 -1.01 3.84 1.01 0.40 -4.89 121.20 116.38 1urk s ILE 44 Ca 0.45 0.35 -0.21 0.00 0.00 0.00 0.00 60.65 61.23 1urk s ILE 44 Cb 0.39 -0.17 0.08 0.00 0.01 0.00 0.00 42.46 42.77 1urk s ILE 44 CO -0.00 0.14 1.36 1.51 0.00 0.00 0.00 174.94 177.95 1urk s ASP 45 N 1.87 6.58 0.00 3.58 -4.77 -1.26 -1.17 116.67 121.50 1urk s ASP 45 Ca 0.00 -1.75 0.00 0.00 -3.30 0.00 0.00 52.55 47.50 1urk s ASP 45 Cb -0.12 -2.51 0.00 0.00 -1.09 0.00 0.00 42.92 39.20 1urk s ASP 45 CO -0.04 -1.32 0.60 0.29 0.70 0.00 0.00 175.17 175.40 1urk n LYS 46 N 7.99 0.00 -1.06 2.11 5.02 -0.74 -4.75 118.16 126.71 1urk n LYS 46 Ca 0.31 0.48 -0.02 0.00 -2.02 0.00 0.00 58.31 57.06 1urk n LYS 46 Cb 0.50 -1.10 -0.01 0.00 -0.02 0.00 0.00 35.03 34.40 1urk n LYS 46 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1urk n SER 47 N -1.26 -4.80 -2.81 4.39 2.88 -1.26 -4.85 113.62 105.92 1urk n SER 47 Ca 0.00 0.05 -0.09 0.00 -1.33 0.00 0.00 58.87 57.50 1urk n SER 47 Cb 0.00 -2.49 0.03 0.00 -0.75 0.00 0.00 64.21 61.00 1urk n SER 47 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1urk n LYS 48 N -0.89 0.72 0.00 -1.46 3.00 -1.26 -5.05 118.16 113.21 1urk n LYS 48 Ca -0.02 -1.97 0.00 0.00 -0.00 0.00 0.00 58.31 56.32 1urk n LYS 48 Cb 0.33 -1.45 0.00 0.00 0.00 0.00 0.00 35.03 33.91 1urk n LYS 48 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1urk n THR 49 N 1.86 0.00 -3.58 3.15 -2.24 -1.26 -5.10 114.28 107.11 1urk n THR 49 Ca 0.12 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.76 1urk n THR 49 Cb 0.60 -0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.71 1urk n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1urk n TYR 51 N 0.44 -2.82 -3.05 0.00 4.11 -1.26 -5.06 117.16 109.51 1urk n TYR 51 Ca -0.18 0.00 0.01 0.00 -0.00 0.00 0.00 57.90 57.72 1urk n TYR 51 Cb 0.60 0.00 -0.00 0.00 -0.00 0.00 0.00 39.34 39.94 1urk n TYR 51 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.86 174.86 1urk s GLU 52 N -2.79 0.69 0.00 -3.48 2.12 -1.26 -5.13 118.70 108.85 1urk s GLU 52 Ca 0.00 -0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.03 1urk s GLU 52 Cb 0.00 0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.45 1urk s GLU 52 CO 0.00 -0.97 0.00 0.41 -0.54 0.00 0.00 175.26 174.16 1urk n GLY 53 N 4.05 -0.21 3.38 -1.50 0.00 -1.26 -4.78 105.19 104.87 1urk n GLY 53 Ca 0.11 -1.97 -0.45 0.00 0.00 0.00 0.00 46.02 43.70 1urk n GLY 53 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1urk s ASN 54 N -4.00 6.96 0.10 1.61 2.47 -1.26 -4.83 114.94 115.98 1urk s ASN 54 Ca 0.00 -2.89 -0.26 0.00 0.42 0.00 0.00 52.86 50.13 1urk s ASN 54 Cb 0.00 -2.28 -0.13 0.00 -1.45 0.00 0.00 41.25 37.40 1urk s ASN 54 CO 0.00 -0.61 1.68 1.23 -3.72 0.00 0.00 177.10 175.69 1urk h GLY 55 N 8.24 -0.33 0.00 1.21 0.00 -1.86 -3.46 103.07 106.88 1urk h GLY 55 Ca 0.17 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1urk h GLY 55 CO 0.97 -0.15 0.00 1.57 0.00 0.00 0.00 176.54 178.93 1urk n HIS 56 N -5.27 0.00 0.00 5.60 -0.00 -1.26 -4.23 115.22 110.06 1urk n HIS 56 Ca -0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.10 1urk n HIS 56 Cb 0.19 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.06 1urk n HIS 56 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1urk n PHE 57 N 0.00 0.00 -3.08 1.57 3.72 -1.26 -4.70 117.46 113.71 1urk n PHE 57 Ca 0.00 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.00 1urk n PHE 57 Cb 0.00 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.49 1urk n PHE 57 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 1urk s TYR 58 N -1.94 3.37 0.11 1.38 5.04 -1.26 -4.81 117.35 119.25 1urk s TYR 58 Ca 0.00 0.96 0.00 0.00 -2.44 0.00 0.00 57.07 55.59 1urk s TYR 58 Cb 0.00 -2.84 0.00 0.00 0.35 0.00 0.00 41.96 39.47 1urk s TYR 58 CO 0.00 -0.21 0.00 0.54 -1.34 0.00 0.00 175.55 174.54 1urk n ARG 59 N 5.17 0.00 0.00 4.97 3.00 -1.26 -4.56 116.66 123.98 1urk n ARG 59 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1urk n ARG 59 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.95 1urk n ARG 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1urk n GLY 60 N -0.52 0.52 0.07 -0.13 0.00 -1.26 -4.81 105.19 99.06 1urk n GLY 60 Ca 0.00 -1.47 -0.00 0.00 0.00 0.00 0.00 46.02 44.54 1urk n GLY 60 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1urk n LYS 61 N 0.00 0.66 -1.47 1.61 2.85 -1.26 -4.88 118.16 115.67 1urk n LYS 61 Ca 0.00 0.01 -0.44 0.00 -1.05 0.00 0.00 58.31 56.83 1urk n LYS 61 Cb 0.00 -1.61 -0.12 0.00 -0.65 0.00 0.00 35.03 32.64 1urk n LYS 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1urk n ALA 62 N -2.48 0.42 -0.11 0.58 0.00 -1.26 -4.66 120.51 113.00 1urk n ALA 62 Ca -0.17 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1urk n ALA 62 Cb 0.87 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1urk n ALA 62 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1urk n SER 63 N 10.90 1.39 -2.17 0.00 3.41 -1.26 -4.70 113.62 121.19 1urk n SER 63 Ca 0.58 -1.50 -0.02 0.00 -0.26 0.00 0.00 58.87 57.67 1urk n SER 63 Cb 0.12 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.08 1urk n SER 63 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1urk n THR 64 N -0.25 0.00 -1.86 6.66 -2.24 -1.26 -4.50 114.28 110.84 1urk n THR 64 Ca 0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1urk n THR 64 Cb 0.17 -1.84 0.00 0.00 -2.10 0.00 0.00 70.33 66.55 1urk n THR 64 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1urk n ASP 65 N -3.06 0.07 -0.55 3.42 5.75 0.13 -4.51 116.55 117.81 1urk n ASP 65 Ca 0.01 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 54.81 1urk n ASP 65 Cb 0.03 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.19 1urk n ASP 65 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1urk n THR 66 N 0.00 0.37 0.00 2.12 -2.24 -1.26 -3.02 114.28 110.25 1urk n THR 66 Ca 0.00 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1urk n THR 66 Cb 0.00 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 1urk n THR 66 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1urk n MET 67 N 0.03 0.53 0.00 -0.78 2.81 -1.26 -4.84 117.12 113.61 1urk n MET 67 Ca 0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 1urk n MET 67 Cb 0.30 -0.92 0.00 0.00 -0.71 0.00 0.00 33.22 31.89 1urk n MET 67 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1urk n GLY 68 N 3.07 0.16 3.80 3.03 0.00 -1.23 -5.13 105.19 108.89 1urk n GLY 68 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1urk n GLY 68 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1urk s ARG 69 N 0.00 3.23 0.00 1.61 0.52 -1.26 -4.67 118.95 118.38 1urk s ARG 69 Ca 0.00 1.25 0.12 0.00 -0.52 0.00 0.00 55.73 56.58 1urk s ARG 69 Cb 0.00 -2.02 0.74 0.00 0.52 0.00 0.00 34.95 34.20 1urk s ARG 69 CO 0.00 -0.88 1.27 -0.35 0.02 0.00 0.00 175.30 175.36 1urk n PRO 70 N -2.07 0.72 -1.07 3.54 -0.04 -1.26 -0.69 135.00 134.13 1urk n PRO 70 Ca 0.09 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.69 1urk n PRO 70 Cb 0.53 -1.27 -0.04 0.00 -0.04 0.00 0.00 33.50 32.67 1urk n PRO 70 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1urk s LEU 72 N -6.32 4.10 0.06 0.00 1.43 -0.92 -4.90 118.68 112.13 1urk s LEU 72 Ca 0.00 0.56 -0.36 0.00 -1.03 0.00 0.00 54.13 53.30 1urk s LEU 72 Cb 0.00 -2.83 -0.16 0.00 0.03 0.00 0.00 46.19 43.23 1urk s LEU 72 CO 0.00 -0.43 1.46 -2.65 0.23 0.00 0.00 176.35 174.97 1urk n PRO 73 N 5.80 1.45 0.12 1.29 -0.02 -1.26 -4.68 135.00 137.70 1urk n PRO 73 Ca -0.01 0.53 0.16 0.00 -2.02 0.00 0.00 63.50 62.16 1urk n PRO 73 Cb 0.49 -2.21 0.45 0.00 -0.02 0.00 0.00 33.50 32.20 1urk n PRO 73 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 1urk h TRP 74 N 5.36 0.00 -0.08 6.00 4.06 -1.46 0.39 115.95 130.22 1urk h TRP 74 Ca -0.47 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.33 1urk h TRP 74 Cb 1.31 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.48 1urk h TRP 74 CO 0.63 0.00 -0.55 -0.97 -3.56 0.00 0.00 178.44 174.00 1urk h ASN 75 N 0.00 0.62 0.00 -3.49 -0.00 -1.73 -3.04 115.58 107.94 1urk h ASN 75 Ca 0.19 -0.67 -0.44 0.00 -0.00 0.00 0.00 56.30 55.38 1urk h ASN 75 Cb 1.83 -0.19 -0.05 0.00 -0.00 0.00 0.00 38.32 39.92 1urk h ASN 75 CO -0.00 1.19 1.09 -0.24 -0.00 0.00 0.00 177.43 179.48 1urk n SER 76 N -4.21 0.36 -0.30 1.15 2.88 0.14 -4.18 113.62 109.46 1urk n SER 76 Ca -0.09 0.30 0.25 0.00 -1.33 0.00 0.00 58.87 58.00 1urk n SER 76 Cb 0.63 -0.64 0.41 0.00 -0.75 0.00 0.00 64.21 63.85 1urk n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1urk n ALA 77 N 6.40 0.84 0.18 -1.46 0.00 -1.26 0.44 120.51 125.65 1urk n ALA 77 Ca 0.43 0.49 -0.12 0.00 0.00 0.00 0.00 53.44 54.24 1urk n ALA 77 Cb -0.00 -0.63 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 1urk n ALA 77 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1urk h THR 78 N 0.00 0.00 -0.31 0.00 2.02 -1.93 0.16 112.91 112.85 1urk h THR 78 Ca 0.52 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.67 1urk h THR 78 Cb 1.74 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1urk h THR 78 CO -0.24 0.00 0.07 1.62 0.37 0.00 0.00 175.52 177.34 1urk h VAL 79 N -0.66 1.22 -0.65 3.16 3.04 -0.30 -0.63 116.25 121.43 1urk h VAL 79 Ca -0.04 -0.75 0.19 0.00 -1.01 0.00 0.00 66.70 65.09 1urk h VAL 79 Cb 0.58 1.13 -0.03 0.00 -2.01 0.00 0.00 31.29 30.96 1urk h VAL 79 CO -0.06 0.25 0.79 -0.07 -1.01 0.00 0.00 177.57 177.47 1urk h LEU 80 N 0.33 0.00 0.12 3.16 3.38 -0.93 1.00 115.31 122.38 1urk h LEU 80 Ca 0.10 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.85 1urk h LEU 80 Cb 0.30 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.08 1urk h LEU 80 CO 0.00 0.00 -0.91 -0.61 0.09 0.00 0.00 178.44 177.01 1urk h GLN 81 N 0.00 0.40 0.00 1.13 4.15 0.90 -3.46 115.11 118.24 1urk h GLN 81 Ca 0.31 -0.60 0.00 0.00 0.77 0.00 0.00 58.65 59.13 1urk h GLN 81 Cb 1.89 0.21 0.00 0.00 0.21 0.00 0.00 27.48 29.79 1urk h GLN 81 CO -0.00 1.26 0.00 0.00 -1.93 0.00 0.00 178.83 178.16 1urk n GLN 82 N -4.05 2.26 0.00 1.69 10.64 0.34 -5.02 117.38 123.24 1urk n GLN 82 Ca -0.14 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.03 1urk n GLN 82 Cb 0.85 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.23 1urk n GLN 82 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1urk n THR 83 N -0.15 0.00 -1.98 -0.39 -2.24 -1.26 -4.74 114.28 103.52 1urk n THR 83 Ca 0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 1urk n THR 83 Cb 0.00 -0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 67.48 1urk n THR 83 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1urk s TYR 84 N 0.00 1.75 0.00 4.78 2.02 -1.26 -4.05 117.35 120.59 1urk s TYR 84 Ca 0.00 0.82 0.00 0.00 -0.37 0.00 0.00 57.07 57.52 1urk s TYR 84 Cb 0.00 -3.92 0.00 0.00 -0.40 0.00 0.00 41.96 37.64 1urk s TYR 84 CO 0.00 -1.49 0.47 -2.39 -1.57 0.00 0.00 175.55 170.56 1urk n HIS 85 N 14.94 0.00 -0.19 2.71 1.44 -1.26 -4.86 115.22 128.00 1urk n HIS 85 Ca 0.42 -0.06 0.00 0.00 -2.01 0.00 0.00 57.72 56.07 1urk n HIS 85 Cb 0.46 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.57 1urk n HIS 85 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1urk n ALA 86 N -0.06 0.00 -1.79 1.59 0.00 -1.26 -3.91 120.51 115.08 1urk n ALA 86 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1urk n ALA 86 Cb 0.40 -0.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 1urk n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1urk n HIS 87 N -1.33 -0.06 -2.93 0.00 8.25 -1.26 -4.55 115.22 113.34 1urk n HIS 87 Ca 0.00 -0.27 -0.20 0.00 -0.26 0.00 0.00 57.72 56.99 1urk n HIS 87 Cb 0.05 0.41 0.06 0.00 1.12 0.00 0.00 29.99 31.62 1urk n HIS 87 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1urk s ARG 88 N 0.00 2.30 0.00 -0.41 3.52 -1.26 -4.97 118.95 118.13 1urk s ARG 88 Ca 0.00 -1.43 0.15 0.00 -0.13 0.00 0.00 55.73 54.32 1urk s ARG 88 Cb 0.01 -2.60 0.80 0.00 -1.56 0.00 0.00 34.95 31.61 1urk s ARG 88 CO -0.00 -0.86 1.53 -1.13 -0.81 0.00 0.00 175.30 174.03 1urk n SER 89 N -2.29 0.28 0.00 -2.12 3.41 -1.26 -3.26 113.62 108.39 1urk n SER 89 Ca 0.14 -1.60 0.00 0.00 -0.26 0.00 0.00 58.87 57.15 1urk n SER 89 Cb 0.61 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1urk n SER 89 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1urk n ASP 90 N -0.54 0.00 0.14 4.04 8.00 -1.26 -4.78 116.55 122.15 1urk n ASP 90 Ca 0.11 -1.00 0.13 0.00 0.71 0.00 0.00 54.79 54.74 1urk n ASP 90 Cb 0.09 0.00 0.48 0.00 -0.02 0.00 0.00 41.12 41.67 1urk n ASP 90 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1urk h ALA 91 N 0.00 1.00 0.00 2.24 0.00 -1.93 -2.32 119.26 118.25 1urk h ALA 91 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1urk h ALA 91 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1urk h ALA 91 CO 0.00 0.00 -0.19 1.47 0.00 0.00 0.00 179.25 180.53 1urk n LEU 92 N -2.35 0.29 0.04 0.00 -0.00 -1.26 -0.34 117.00 113.38 1urk n LEU 92 Ca 0.03 0.35 -0.04 0.00 -0.00 0.00 0.00 56.01 56.35 1urk n LEU 92 Cb 0.30 -0.38 -0.09 0.00 -0.00 0.00 0.00 43.42 43.25 1urk n LEU 92 CO 0.24 0.01 -0.13 1.56 -0.00 0.00 0.00 177.39 179.06 1urk h GLN 93 N 0.00 0.00 0.00 1.47 4.20 -1.77 -3.32 115.11 115.69 1urk h GLN 93 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1urk h GLN 93 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1urk h GLN 93 CO 0.00 0.56 -0.86 1.28 -0.67 0.00 0.00 178.83 179.14 1urk n LEU 94 N -3.10 0.66 -2.84 1.46 7.99 -1.20 -5.05 117.00 114.91 1urk n LEU 94 Ca -0.08 -0.44 -0.07 0.00 -0.01 0.00 0.00 56.01 55.41 1urk n LEU 94 Cb 0.91 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 44.23 1urk n LEU 94 CO 0.44 0.16 -0.07 0.61 -1.51 0.00 0.00 177.39 177.02 1urk n GLY 95 N 1.40 -1.88 0.00 -0.72 0.00 0.54 -5.02 105.19 99.50 1urk n GLY 95 Ca 0.02 1.10 0.00 0.00 0.00 0.00 0.00 46.02 47.14 1urk n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1urk n LEU 96 N -0.08 0.32 0.00 0.99 4.77 -1.11 -5.04 117.00 116.85 1urk n LEU 96 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1urk n LEU 96 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1urk n LEU 96 CO 0.47 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1urk n GLY 97 N 2.80 -1.30 3.35 -0.72 0.00 -1.26 -4.57 105.19 103.50 1urk n GLY 97 Ca 0.00 -1.56 -0.45 0.00 0.00 0.00 0.00 46.02 44.00 1urk n GLY 97 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1urk s LYS 98 N 0.00 4.07 0.00 1.61 2.20 -1.26 -4.18 119.74 122.17 1urk s LYS 98 Ca 0.00 -2.98 0.00 0.00 -0.36 0.00 0.00 55.97 52.63 1urk s LYS 98 Cb 0.00 -4.59 0.00 0.00 -1.51 0.00 0.00 37.83 31.73 1urk s LYS 98 CO 0.00 -1.31 0.00 -2.39 -0.36 0.00 0.00 175.35 171.29 1urk n HIS 99 N 3.31 -0.14 -2.74 4.03 1.44 -1.26 -4.90 115.22 114.96 1urk n HIS 99 Ca 0.23 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.84 1urk n HIS 99 Cb 0.41 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.56 1urk n HIS 99 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1urk n ASN 100 N -1.09 0.89 -1.56 4.39 6.94 -1.26 -1.40 115.26 122.17 1urk n ASN 100 Ca 0.00 -2.74 0.00 0.00 -0.02 0.00 0.00 54.58 51.82 1urk n ASN 100 Cb 0.00 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.11 1urk n ASN 100 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1urk n TYR 101 N -0.07 -1.94 -4.80 -2.53 4.02 -1.26 -4.69 117.16 105.89 1urk n TYR 101 Ca 0.10 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.68 1urk n TYR 101 Cb 0.80 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.95 1urk n TYR 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1urk s ARG 103 N 0.68 1.28 -0.66 0.00 3.00 -1.01 -4.75 118.95 117.49 1urk s ARG 103 Ca -0.12 -1.57 0.05 0.00 0.00 0.00 0.00 55.73 54.09 1urk s ARG 103 Cb -0.16 -0.99 0.30 0.00 0.00 0.00 0.00 34.95 34.10 1urk s ARG 103 CO 0.02 0.14 0.96 -1.71 0.00 0.00 0.00 175.30 174.72 1urk n ASN 104 N -0.35 4.53 0.00 0.23 5.15 -1.26 -3.27 115.26 120.29 1urk n ASN 104 Ca -0.08 -3.59 0.05 0.00 -0.60 0.00 0.00 54.58 50.36 1urk n ASN 104 Cb 0.61 -0.68 0.27 0.00 -0.53 0.00 0.00 39.78 39.45 1urk n ASN 104 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1urk n PRO 105 N 0.23 0.15 0.00 1.20 -0.04 -1.26 -4.70 135.00 130.59 1urk n PRO 105 Ca 0.32 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 1urk n PRO 105 Cb 0.39 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.35 1urk n PRO 105 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1urk n ASP 106 N -1.29 0.00 -3.82 3.54 -0.08 -1.26 -5.07 116.55 108.56 1urk n ASP 106 Ca 0.05 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.03 1urk n ASP 106 Cb 0.09 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.41 1urk n ASP 106 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 1urk s ASN 107 N 1.00 4.04 0.00 1.67 -0.87 -1.26 -4.87 114.94 114.65 1urk s ASN 107 Ca 0.00 -2.55 0.00 0.00 -1.57 0.00 0.00 52.86 48.74 1urk s ASN 107 Cb 0.00 -1.27 0.00 0.00 -0.02 0.00 0.00 41.25 39.96 1urk s ASN 107 CO 0.00 -0.29 0.33 0.54 -2.57 0.00 0.00 177.10 175.11 1urk n ARG 108 N 3.68 -0.20 -1.69 -0.60 5.12 -1.26 -4.98 116.66 116.74 1urk n ARG 108 Ca 0.06 -0.37 -0.10 0.00 -1.93 0.00 0.00 57.85 55.51 1urk n ARG 108 Cb 0.36 -0.76 -0.03 0.00 -1.16 0.00 0.00 32.46 30.87 1urk n ARG 108 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1urk n ARG 109 N -0.04 -1.62 -3.48 5.56 1.74 -1.26 -4.83 116.66 112.73 1urk n ARG 109 Ca 0.00 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.62 1urk n ARG 109 Cb 0.16 -4.85 -0.05 0.00 -1.02 0.00 0.00 32.46 26.71 1urk n ARG 109 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1urk s ARG 110 N -3.58 0.36 -0.24 5.56 3.52 -1.26 -4.36 118.95 118.94 1urk s ARG 110 Ca 0.00 0.83 -0.38 0.00 -0.13 0.00 0.00 55.73 56.05 1urk s ARG 110 Cb 0.00 0.43 -0.14 0.00 -1.56 0.00 0.00 34.95 33.68 1urk s ARG 110 CO 0.00 -0.11 1.84 -2.30 -0.81 0.00 0.00 175.30 173.92 1urk n PRO 111 N 4.79 1.41 -4.45 5.12 -0.02 -1.26 -4.78 135.00 135.81 1urk n PRO 111 Ca -0.11 0.50 -0.22 0.00 -2.02 0.00 0.00 63.50 61.65 1urk n PRO 111 Cb 0.53 -2.29 -0.10 0.00 -0.02 0.00 0.00 33.50 31.62 1urk n PRO 111 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1urk s TRP 112 N 4.18 2.02 -0.01 6.00 1.48 -1.20 -0.38 118.94 131.03 1urk s TRP 112 Ca 0.99 -0.67 -0.09 0.00 -1.06 0.00 0.00 56.10 55.27 1urk s TRP 112 Cb -0.95 -1.16 0.01 0.00 -1.16 0.00 0.00 33.47 30.21 1urk s TRP 112 CO 0.60 0.32 0.18 0.00 -4.06 0.00 0.00 176.95 173.99 1urk s TYR 114 N -1.13 1.87 -0.15 0.00 1.51 -1.26 -2.14 117.35 116.04 1urk s TYR 114 Ca -0.12 0.56 -0.07 0.00 -1.01 0.00 0.00 57.07 56.43 1urk s TYR 114 Cb -0.06 -4.03 -0.04 0.00 -0.11 0.00 0.00 41.96 37.72 1urk s TYR 114 CO 0.02 -1.52 0.10 0.54 -1.11 0.00 0.00 175.55 173.57 1urk s VAL 115 N 10.48 5.11 -0.09 0.71 0.11 -0.90 -2.16 120.40 133.66 1urk s VAL 115 Ca 0.69 0.07 -0.34 0.00 -2.93 0.00 0.00 61.98 59.48 1urk s VAL 115 Cb -0.04 -3.26 -0.11 0.00 -1.53 0.00 0.00 36.38 31.44 1urk s VAL 115 CO 0.05 0.54 1.91 0.00 -3.33 0.00 0.00 175.10 174.27 1urk n GLN 116 N 2.74 2.20 -1.23 1.54 6.02 -1.26 -1.57 117.38 125.81 1urk n GLN 116 Ca -0.18 0.80 -0.25 0.00 -0.01 0.00 0.00 57.00 57.36 1urk n GLN 116 Cb 0.53 -2.68 0.16 0.00 1.02 0.00 0.00 30.24 29.27 1urk n GLN 116 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1urk n VAL 117 N 5.31 3.25 0.00 5.09 0.31 -1.10 -4.85 118.33 126.33 1urk n VAL 117 Ca 0.23 -2.21 0.00 0.00 -0.01 0.00 0.00 64.34 62.35 1urk n VAL 117 Cb 0.30 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 1urk n VAL 117 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1urk n GLY 118 N -1.10 2.96 0.00 2.92 0.00 -1.26 -4.71 105.19 104.00 1urk n GLY 118 Ca 0.59 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1urk n GLY 118 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1urk n LEU 119 N 0.00 0.00 -3.58 0.99 -0.00 -1.26 -5.07 117.00 108.08 1urk n LEU 119 Ca 0.00 -0.16 -0.15 0.00 -0.00 0.00 0.00 56.01 55.70 1urk n LEU 119 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 1urk n LEU 119 CO 0.00 0.21 -0.15 -0.54 -0.00 0.00 0.00 177.39 176.91 1urk s LYS 120 N 0.00 0.18 -0.78 1.47 -0.14 -1.26 -5.07 119.74 114.14 1urk s LYS 120 Ca 0.00 0.56 -0.23 0.00 -1.36 0.00 0.00 55.97 54.94 1urk s LYS 120 Cb 0.00 -0.44 -0.17 0.00 -1.68 0.00 0.00 37.83 35.54 1urk s LYS 120 CO 0.00 -0.43 2.40 -2.30 -0.76 0.00 0.00 175.35 174.26 1urk n PRO 121 N 5.34 0.51 -3.55 -1.68 -0.02 -1.26 -2.72 135.00 131.62 1urk n PRO 121 Ca -0.06 -0.36 -0.38 0.00 -2.02 0.00 0.00 63.50 60.68 1urk n PRO 121 Cb 0.50 -2.85 -0.06 0.00 -0.02 0.00 0.00 33.50 31.07 1urk n PRO 121 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1urk s LEU 122 N 10.61 4.46 -0.18 2.45 1.43 -0.61 -4.60 118.68 132.25 1urk s LEU 122 Ca 1.07 0.90 -0.29 0.00 -1.03 0.00 0.00 54.13 54.78 1urk s LEU 122 Cb -0.42 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.22 1urk s LEU 122 CO 0.27 0.33 1.56 0.68 0.23 0.00 0.00 176.35 179.42 1urk s VAL 123 N -1.09 3.77 0.00 -1.59 -7.23 -1.26 -2.12 120.40 110.89 1urk s VAL 123 Ca 0.23 0.90 0.03 0.00 -1.81 0.00 0.00 61.98 61.33 1urk s VAL 123 Cb -0.16 -3.71 -0.03 0.00 0.56 0.00 0.00 36.38 33.04 1urk s VAL 123 CO 0.13 -0.22 -0.07 0.00 -0.31 0.00 0.00 175.10 174.63 1urk s GLN 124 N 4.32 2.56 -1.07 4.82 0.00 -0.91 -4.82 119.66 124.56 1urk s GLN 124 Ca 0.69 -0.72 -0.23 0.00 -0.00 0.00 0.00 55.36 55.10 1urk s GLN 124 Cb -0.26 -2.51 -0.04 0.00 0.00 0.00 0.00 33.01 30.20 1urk s GLN 124 CO 0.27 0.60 1.86 -1.21 0.00 0.00 0.00 175.29 176.81 1urk s GLU 125 N -1.42 2.81 -0.44 9.60 2.02 -1.26 -2.04 118.70 127.97 1urk s GLU 125 Ca 0.17 -0.91 -0.41 0.00 0.02 0.00 0.00 54.97 53.84 1urk s GLU 125 Cb -0.11 -5.22 -0.17 0.00 0.10 0.00 0.00 34.13 28.72 1urk s GLU 125 CO 0.08 -3.36 1.55 0.00 0.02 0.00 0.00 175.26 173.55 1urk s MET 127 N 3.40 1.43 0.00 0.00 -1.94 -1.17 -4.77 119.30 116.25 1urk s MET 127 Ca 0.97 1.27 0.00 0.00 -1.71 0.00 0.00 55.69 56.22 1urk s MET 127 Cb -1.33 -1.80 0.00 0.00 2.01 0.00 0.00 34.83 33.71 1urk s MET 127 CO 0.69 -2.25 0.75 1.55 -0.01 0.00 0.00 175.02 175.75 1urk n VAL 128 N -3.95 0.00 -0.82 -6.03 3.14 -1.26 -4.86 118.33 104.54 1urk n VAL 128 Ca 0.10 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 1urk n VAL 128 Cb 0.53 0.37 0.00 0.00 -1.06 0.00 0.00 33.84 33.68 1urk n VAL 128 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 1urk n HIS 129 N 0.00 0.00 -2.88 1.45 -0.00 -1.26 -4.72 115.22 107.81 1urk n HIS 129 Ca -0.21 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 57.91 1urk n HIS 129 Cb 0.59 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.46 1urk n HIS 129 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1urk n ASP 130 N 0.00 -7.66 0.09 0.26 9.92 -1.26 -4.94 116.55 112.96 1urk n ASP 130 Ca 0.00 0.90 0.00 0.00 -0.53 0.00 0.00 54.79 55.16 1urk n ASP 130 Cb 0.00 -4.66 0.00 0.00 -0.64 0.00 0.00 41.12 35.82 1urk n ASP 130 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1urk n ALA 132 N -2.89 0.72 -2.85 0.00 0.00 -1.26 -5.06 120.51 109.17 1urk n ALA 132 Ca 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 53.44 52.76 1urk n ALA 132 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1urk n ALA 132 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1urk n ASP 133 N -4.00 -7.66 0.00 0.00 9.92 -1.26 -4.92 116.55 108.63 1urk n ASP 133 Ca -0.11 1.15 0.11 0.00 -0.53 0.00 0.00 54.79 55.41 1urk n ASP 133 Cb 0.39 -4.38 -0.11 0.00 -0.64 0.00 0.00 41.12 36.39 1urk n ASP 133 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1urk n GLY 134 N 0.82 -1.04 3.32 0.44 0.00 -1.26 -5.21 105.19 102.27 1urk n GLY 134 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1urk n GLY 134 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49