#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 0.47 0.53 5.09 -7.23 -1.26 -5.01 120.40 112.98 1urk s VAL 7 Ca 0.00 -0.68 0.31 0.00 -1.81 0.00 0.00 61.98 59.79 1urk s VAL 7 Cb 0.00 -0.48 0.48 0.00 0.56 0.00 0.00 36.38 36.94 1urk s VAL 7 CO 0.00 -0.16 1.88 -0.65 -0.31 0.00 0.00 175.10 175.86 1urk h PRO 8 N 5.19 0.03 -6.77 4.82 0.11 -2.00 -3.42 132.00 129.97 1urk h PRO 8 Ca -0.32 -0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.24 1urk h PRO 8 Cb 1.20 -0.01 0.19 0.00 0.11 0.00 0.00 31.00 32.49 1urk h PRO 8 CO 0.45 0.02 -0.32 0.45 -0.21 0.00 0.00 178.00 178.39 1urk n SER 9 N -4.29 -1.02 -0.97 -2.05 2.88 -1.26 -4.93 113.62 101.97 1urk n SER 9 Ca 0.19 0.54 -0.01 0.00 -1.33 0.00 0.00 58.87 58.26 1urk n SER 9 Cb 0.95 -1.26 -0.01 0.00 -0.75 0.00 0.00 64.21 63.14 1urk n SER 9 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1urk n ASN 10 N -0.94 0.07 -1.93 -3.46 2.85 -1.26 -5.05 115.26 105.54 1urk n ASN 10 Ca 0.10 -1.83 0.00 0.00 -0.11 0.00 0.00 54.58 52.74 1urk n ASN 10 Cb 0.51 -0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.46 1urk n ASN 10 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1urk n ASP 12 N -1.64 0.00 -3.12 0.00 2.03 -1.26 -4.81 116.55 107.75 1urk n ASP 12 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1urk n ASP 12 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1urk n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1urk s LEU 14 N 0.00 1.88 -1.42 0.00 1.02 0.78 -4.65 118.68 116.30 1urk s LEU 14 Ca 0.00 -1.74 0.00 0.00 0.02 0.00 0.00 54.13 52.41 1urk s LEU 14 Cb 0.00 0.20 0.00 0.00 0.02 0.00 0.00 46.19 46.41 1urk s LEU 14 CO 0.00 -1.01 0.00 0.59 0.02 0.00 0.00 176.35 175.95 1urk n ASN 15 N -1.47 -4.17 -1.15 2.29 4.13 -1.26 -0.82 115.26 112.81 1urk n ASN 15 Ca -0.00 0.25 -0.04 0.00 1.68 0.00 0.00 54.58 56.47 1urk n ASN 15 Cb 0.64 -3.67 0.01 0.00 -1.54 0.00 0.00 39.78 35.22 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 -0.56 0.59 3.55 7.41 0.00 -1.26 -5.03 105.19 109.89 1urk n GLY 16 Ca -0.16 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.10 1.55 -0.86 -0.02 0.00 -0.00 -4.98 107.32 99.91 1urk s GLY 17 Ca 0.08 -0.83 -0.00 0.00 0.00 0.00 0.00 44.72 43.97 1urk s GLY 17 CO 0.13 0.04 0.73 -1.59 0.00 0.00 0.00 173.10 172.41 1urk s THR 18 N -2.87 4.07 0.27 0.90 2.01 -0.80 -4.73 115.64 114.49 1urk s THR 18 Ca 0.70 -3.98 -0.30 0.00 0.31 0.00 0.00 61.69 58.42 1urk s THR 18 Cb -0.12 -3.54 -0.13 0.00 0.01 0.00 0.00 72.50 68.72 1urk s THR 18 CO 0.57 -1.08 1.39 0.00 -0.69 0.00 0.00 174.62 174.82 1urk n VAL 20 N 1.53 0.00 -3.61 0.00 0.24 -1.04 -4.77 118.33 110.68 1urk n VAL 20 Ca 0.10 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.31 1urk n VAL 20 Cb 0.33 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.64 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 -0.08 -0.33 0.40 -1.34 1.04 -1.26 -4.21 113.70 107.92 1urk s SER 21 Ca 0.00 0.49 -0.22 0.00 0.48 0.00 0.00 55.95 56.71 1urk s SER 21 Cb 0.00 0.45 -0.15 0.00 0.10 0.00 0.00 66.02 66.43 1urk s SER 21 CO 0.00 -0.21 0.26 -3.20 0.98 0.00 0.00 173.24 171.07 1urk n ASN 22 N 1.31 -2.15 0.00 7.02 2.85 0.66 -4.88 115.26 120.07 1urk n ASN 22 Ca -0.10 0.86 0.00 0.00 -0.11 0.00 0.00 54.58 55.23 1urk n ASN 22 Cb 0.57 -0.96 0.00 0.00 1.24 0.00 0.00 39.78 40.63 1urk n ASN 22 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1urk n LYS 23 N 1.07 0.00 -0.97 1.20 4.81 -1.26 -4.87 118.16 118.14 1urk n LYS 23 Ca 0.12 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.50 1urk n LYS 23 Cb 0.39 -0.49 0.17 0.00 0.02 0.00 0.00 35.03 35.12 1urk n LYS 23 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1urk n TYR 24 N -1.26 1.13 -0.85 5.64 4.02 -1.26 -5.00 117.16 119.59 1urk n TYR 24 Ca 0.00 -1.75 0.00 0.00 -0.01 0.00 0.00 57.90 56.14 1urk n TYR 24 Cb 0.00 -0.44 0.00 0.00 -0.02 0.00 0.00 39.34 38.88 1urk n TYR 24 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1urk n PHE 25 N -1.05 0.00 0.00 -0.72 3.72 -1.26 -5.10 117.46 113.05 1urk n PHE 25 Ca 0.32 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.72 1urk n PHE 25 Cb 0.91 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 1urk n PHE 25 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1urk n SER 26 N 0.00 2.51 -2.93 4.37 7.64 -1.26 -4.96 113.62 119.00 1urk n SER 26 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 1urk n SER 26 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1urk n SER 26 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1urk n ASN 27 N -2.25 -1.62 -3.61 6.43 2.85 -1.26 -5.07 115.26 110.74 1urk n ASN 27 Ca 0.00 -3.06 -0.29 0.00 -0.11 0.00 0.00 54.58 51.11 1urk n ASN 27 Cb 0.35 0.82 -0.13 0.00 1.24 0.00 0.00 39.78 42.05 1urk n ASN 27 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1urk s ILE 28 N -0.10 0.65 0.37 -1.44 -1.09 -1.26 -5.04 121.20 113.30 1urk s ILE 28 Ca 0.33 -1.78 0.08 0.00 -2.23 0.00 0.00 60.65 57.06 1urk s ILE 28 Cb 0.21 -1.48 -0.07 0.00 -1.58 0.00 0.00 42.46 39.54 1urk s ILE 28 CO -0.19 -0.86 -0.04 -1.38 -1.23 0.00 0.00 174.94 171.24 1urk s HIS 29 N 1.10 2.43 0.00 3.97 -3.43 -1.26 -0.24 115.29 117.86 1urk s HIS 29 Ca 0.15 -0.60 0.00 0.00 -0.80 0.00 0.00 55.06 53.81 1urk s HIS 29 Cb -0.21 -1.55 0.00 0.00 -1.43 0.00 0.00 32.58 29.39 1urk s HIS 29 CO -0.10 0.50 0.00 -2.67 -2.00 0.00 0.00 174.74 170.47 1urk n TRP 30 N -0.86 0.00 -3.12 0.38 2.14 -1.26 -4.88 117.44 109.84 1urk n TRP 30 Ca -0.05 0.00 -0.36 0.00 2.07 0.00 0.00 57.50 59.16 1urk n TRP 30 Cb 0.65 0.00 -0.06 0.00 -0.81 0.00 0.00 31.31 31.09 1urk n TRP 30 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1urk n ASN 32 N 0.64 4.19 -4.60 0.00 4.05 -0.54 -4.83 115.26 114.17 1urk n ASN 32 Ca -0.02 -3.23 -0.26 0.00 0.45 0.00 0.00 54.58 51.52 1urk n ASN 32 Cb 0.51 -0.96 -0.09 0.00 1.23 0.00 0.00 39.78 40.47 1urk n ASN 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1urk n PRO 34 N -0.13 -0.18 0.29 0.00 -0.02 -1.26 -4.82 135.00 128.86 1urk n PRO 34 Ca -0.10 -0.02 0.18 0.00 -2.02 0.00 0.00 63.50 61.54 1urk n PRO 34 Cb 0.56 -1.73 0.75 0.00 -0.02 0.00 0.00 33.50 33.06 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 -1.35 0.00 -0.00 -0.52 1.57 -2.00 -1.75 116.57 112.52 1urk h LYS 35 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1urk h LYS 35 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1urk h LYS 35 CO 0.34 0.00 -0.00 0.36 -0.57 0.00 0.00 179.45 179.58 1urk n LYS 36 N -3.09 1.05 -4.05 3.15 2.85 -1.26 -4.80 118.16 112.01 1urk n LYS 36 Ca 0.00 -0.09 -0.27 0.00 -1.05 0.00 0.00 58.31 56.90 1urk n LYS 36 Cb 0.28 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.11 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 -2.01 3.22 0.00 5.58 0.40 -0.66 0.25 117.98 124.76 1urk s PHE 37 Ca 0.47 0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.83 1urk s PHE 37 Cb 0.22 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 42.18 1urk s PHE 37 CO 0.37 0.52 0.00 0.41 0.70 0.00 0.00 175.22 177.22 1urk n GLY 38 N -0.20 2.13 0.00 4.36 0.00 -0.24 -4.77 105.19 106.47 1urk n GLY 38 Ca -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.35 2.93 5.37 -0.02 0.00 -1.26 -0.63 105.19 111.23 1urk n GLY 39 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1urk n GLY 39 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1urk n GLN 40 N 0.00 0.00 -1.92 1.61 6.02 -1.26 -0.22 117.38 121.60 1urk n GLN 40 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 1urk n GLN 40 Cb 0.00 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.29 1urk n GLN 40 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1urk n HIS 41 N 0.00 3.03 -3.15 1.08 8.25 -1.26 -4.91 115.22 118.25 1urk n HIS 41 Ca 0.00 -2.61 -0.07 0.00 -0.26 0.00 0.00 57.72 54.78 1urk n HIS 41 Cb 0.00 -0.67 0.03 0.00 1.12 0.00 0.00 29.99 30.47 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 -2.40 2.06 -2.52 0.00 -0.00 -0.88 -1.64 120.64 115.25 1urk n GLU 43 Ca -0.03 0.01 -0.34 0.00 -0.00 0.00 0.00 57.16 56.80 1urk n GLU 43 Cb 0.55 -1.26 -0.04 0.00 -0.00 0.00 0.00 31.44 30.70 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 -2.25 3.95 -0.98 3.84 1.01 0.20 -4.65 121.20 122.32 1urk s ILE 44 Ca -0.07 1.16 -0.02 0.00 0.00 0.00 0.00 60.65 61.72 1urk s ILE 44 Cb 0.03 -3.48 0.28 0.00 0.01 0.00 0.00 42.46 39.30 1urk s ILE 44 CO 0.40 -0.31 1.22 0.47 0.00 0.00 0.00 174.94 176.71 1urk n ASP 45 N -1.07 5.56 -4.09 3.58 9.92 -1.25 -1.08 116.55 128.11 1urk n ASP 45 Ca 0.09 -3.34 -0.36 0.00 -0.53 0.00 0.00 54.79 50.64 1urk n ASP 45 Cb 0.53 -1.14 0.07 0.00 -0.64 0.00 0.00 41.12 39.93 1urk n ASP 45 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1urk n LYS 46 N 1.50 -0.30 -3.71 -1.24 5.02 0.70 -4.89 118.16 115.25 1urk n LYS 46 Ca 0.26 -0.08 -0.30 0.00 -2.02 0.00 0.00 58.31 56.18 1urk n LYS 46 Cb 0.36 -1.22 -0.13 0.00 -0.02 0.00 0.00 35.03 34.02 1urk n LYS 46 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1urk s SER 47 N -1.26 3.69 0.00 4.39 1.04 -1.26 -4.72 113.70 115.58 1urk s SER 47 Ca 0.43 -2.51 0.25 0.00 0.48 0.00 0.00 55.95 54.60 1urk s SER 47 Cb -0.06 -1.01 0.44 0.00 0.10 0.00 0.00 66.02 65.49 1urk s SER 47 CO 0.72 -0.28 1.40 1.17 0.98 0.00 0.00 173.24 177.23 1urk n LYS 48 N 3.70 2.14 -4.49 4.02 4.81 -1.26 -4.89 118.16 122.19 1urk n LYS 48 Ca 0.08 -1.66 -0.21 0.00 -0.87 0.00 0.00 58.31 55.65 1urk n LYS 48 Cb 0.35 -1.47 -0.14 0.00 0.02 0.00 0.00 35.03 33.79 1urk n LYS 48 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1urk s THR 49 N -1.99 1.01 0.00 3.15 -1.32 -1.26 -5.08 115.64 110.16 1urk s THR 49 Ca 0.31 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 60.11 1urk s THR 49 Cb 0.20 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 70.32 1urk s THR 49 CO 0.31 0.18 0.00 0.00 -2.21 0.00 0.00 174.62 172.90 1urk s TYR 51 N 0.00 1.88 0.17 0.00 1.13 -1.26 -5.02 117.35 114.25 1urk s TYR 51 Ca 0.00 -1.31 -0.25 0.00 -1.41 0.00 0.00 57.07 54.10 1urk s TYR 51 Cb 0.00 -1.38 0.06 0.00 -1.10 0.00 0.00 41.96 39.53 1urk s TYR 51 CO 0.00 -0.68 1.57 1.49 -2.51 0.00 0.00 175.55 175.42 1urk h GLU 52 N 8.07 -0.19 0.00 -3.49 4.81 -1.93 -3.41 114.58 118.45 1urk h GLU 52 Ca -0.21 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1urk h GLU 52 Cb 1.10 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1urk h GLU 52 CO 0.40 -0.13 0.00 0.41 -0.73 0.00 0.00 179.01 178.96 1urk n GLY 53 N -1.41 -1.50 0.08 1.92 0.00 -1.26 -4.96 105.19 98.07 1urk n GLY 53 Ca 0.03 -1.52 0.10 0.00 0.00 0.00 0.00 46.02 44.62 1urk n GLY 53 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1urk n ASN 54 N -0.31 0.60 0.00 1.61 0.23 -1.26 -4.94 115.26 111.18 1urk n ASN 54 Ca 0.00 0.24 0.00 0.00 -0.53 0.00 0.00 54.58 54.29 1urk n ASN 54 Cb 0.00 0.85 0.00 0.00 -2.08 0.00 0.00 39.78 38.55 1urk n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1urk n GLY 55 N 1.24 1.28 0.04 4.83 0.00 -1.26 -4.24 105.19 107.08 1urk n GLY 55 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 1urk n GLY 55 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1urk n HIS 56 N 0.00 0.10 -2.22 1.61 -0.00 -1.26 -4.47 115.22 108.97 1urk n HIS 56 Ca 0.00 0.04 -0.38 0.00 -0.00 0.00 0.00 57.72 57.38 1urk n HIS 56 Cb 0.00 -0.30 0.03 0.00 -0.00 0.00 0.00 29.99 29.71 1urk n HIS 56 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1urk n PHE 57 N -3.47 3.01 -0.22 1.57 3.72 -1.26 -4.51 117.46 116.30 1urk n PHE 57 Ca -0.06 -2.54 0.05 0.00 -0.05 0.00 0.00 57.45 54.85 1urk n PHE 57 Cb 0.23 -1.05 0.15 0.00 -0.94 0.00 0.00 39.48 37.87 1urk n PHE 57 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1urk n TYR 58 N -0.39 0.46 -4.14 1.38 4.19 -1.26 -4.96 117.16 112.44 1urk n TYR 58 Ca 0.50 -0.53 -0.36 0.00 3.31 0.00 0.00 57.90 60.82 1urk n TYR 58 Cb 0.29 -0.05 -0.07 0.00 0.49 0.00 0.00 39.34 40.00 1urk n TYR 58 CO 0.00 0.00 0.00 2.89 0.91 0.00 0.00 176.86 180.66 1urk n ARG 59 N 0.37 -1.01 0.00 2.98 0.00 -1.26 -4.88 116.66 112.86 1urk n ARG 59 Ca 0.11 0.12 0.00 0.00 -0.00 0.00 0.00 57.85 58.08 1urk n ARG 59 Cb 0.45 -4.47 0.00 0.00 -0.00 0.00 0.00 32.46 28.44 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 -0.96 -2.99 0.00 2.89 0.00 -1.26 -4.99 105.19 97.88 1urk n GLY 60 Ca 0.10 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.15 0.74 -1.74 1.61 2.85 -1.26 -5.02 118.16 114.19 1urk n LYS 61 Ca 0.00 -0.20 -0.43 0.00 -1.05 0.00 0.00 58.31 56.63 1urk n LYS 61 Cb 0.00 -0.64 -0.03 0.00 -0.65 0.00 0.00 35.03 33.72 1urk n LYS 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1urk s ALA 62 N -0.16 3.13 0.00 0.58 0.00 -1.26 -4.76 121.76 119.29 1urk s ALA 62 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1urk s ALA 62 Cb 0.00 -3.95 0.00 0.00 0.00 0.00 0.00 23.12 19.17 1urk s ALA 62 CO 0.00 -2.20 0.06 -1.13 0.00 0.00 0.00 175.76 172.48 1urk n SER 63 N 9.58 0.12 -4.96 0.00 3.41 -1.26 -2.59 113.62 117.92 1urk n SER 63 Ca 0.24 -0.45 -0.22 0.00 -0.26 0.00 0.00 58.87 58.18 1urk n SER 63 Cb 0.44 0.54 -0.01 0.00 -0.26 0.00 0.00 64.21 64.91 1urk n SER 63 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1urk s THR 64 N -0.54 4.99 0.00 6.66 -4.23 -1.26 -4.19 115.64 117.07 1urk s THR 64 Ca 0.00 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 1urk s THR 64 Cb 0.00 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 70.05 1urk s THR 64 CO 0.00 -0.41 0.00 -0.90 -0.54 0.00 0.00 174.62 172.77 1urk n ASP 65 N -1.64 0.00 -1.04 3.99 5.68 -0.83 -4.18 116.55 118.54 1urk n ASP 65 Ca -0.06 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.23 1urk n ASP 65 Cb 0.57 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.64 1urk n ASP 65 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1urk n THR 66 N -0.41 1.05 0.06 2.12 -2.24 0.73 -4.03 114.28 111.56 1urk n THR 66 Ca 0.00 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1urk n THR 66 Cb 0.00 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 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 0.13 0.00 0.00 -0.78 2.81 -1.26 -5.02 117.12 113.00 1urk n MET 67 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 1urk n MET 67 Cb 0.62 -0.27 0.00 0.00 -0.71 0.00 0.00 33.22 32.85 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 2.49 0.44 3.36 3.03 0.00 -1.26 -5.13 105.19 108.13 1urk n GLY 68 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1urk n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1urk n ARG 69 N 0.00 0.17 0.00 1.61 1.74 -1.26 -4.56 116.66 114.36 1urk n ARG 69 Ca 0.00 0.06 0.09 0.00 -0.77 0.00 0.00 57.85 57.23 1urk n ARG 69 Cb 0.00 -1.14 0.48 0.00 -1.02 0.00 0.00 32.46 30.77 1urk n ARG 69 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1urk n PRO 70 N 1.07 0.32 -0.72 5.56 -0.04 -1.26 -1.97 135.00 137.96 1urk n PRO 70 Ca 0.13 0.09 0.08 0.00 -0.04 0.00 0.00 63.50 63.76 1urk n PRO 70 Cb 0.37 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.28 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 -5.55 4.56 0.28 0.00 1.43 -0.84 -4.89 118.68 113.67 1urk s LEU 72 Ca 0.00 1.84 -0.29 0.00 -1.03 0.00 0.00 54.13 54.64 1urk s LEU 72 Cb 0.00 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.55 1urk s LEU 72 CO 0.00 0.03 1.18 -2.16 0.23 0.00 0.00 176.35 175.63 1urk s PRO 73 N -0.47 4.53 0.64 1.29 0.04 -1.26 -4.51 135.00 135.26 1urk s PRO 73 Ca 0.44 1.95 0.21 0.00 0.04 0.00 0.00 61.00 63.64 1urk s PRO 73 Cb -0.24 -3.16 1.01 0.00 0.04 0.00 0.00 34.50 32.15 1urk s PRO 73 CO 0.30 0.04 1.54 -1.49 0.04 0.00 0.00 177.00 177.43 1urk h TRP 74 N 3.93 0.00 -0.09 0.56 4.06 -1.38 0.40 115.95 123.42 1urk h TRP 74 Ca -0.47 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 60.29 1urk h TRP 74 Cb 1.22 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.39 1urk h TRP 74 CO 0.58 0.00 -0.68 -2.95 -3.56 0.00 0.00 178.44 171.83 1urk h ASN 75 N 0.00 0.76 0.00 -3.49 -1.07 -1.76 -3.25 115.58 106.78 1urk h ASN 75 Ca 0.14 -0.66 -0.45 0.00 0.07 0.00 0.00 56.30 55.40 1urk h ASN 75 Cb 1.59 -0.23 -0.05 0.00 -2.07 0.00 0.00 38.32 37.56 1urk h ASN 75 CO -0.00 1.31 1.18 -0.24 0.07 0.00 0.00 177.43 179.75 1urk n SER 76 N -4.08 0.35 -0.37 6.14 2.88 0.14 -4.39 113.62 114.29 1urk n SER 76 Ca -0.09 0.28 0.30 0.00 -1.33 0.00 0.00 58.87 58.04 1urk n SER 76 Cb 0.70 -0.68 0.48 0.00 -0.75 0.00 0.00 64.21 63.95 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 6.95 1.03 0.47 -1.46 0.00 -1.26 0.44 120.51 126.69 1urk n ALA 77 Ca 0.46 0.50 -0.20 0.00 0.00 0.00 0.00 53.44 54.20 1urk n ALA 77 Cb 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 19.45 18.65 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 0.01 -0.65 0.00 2.02 -1.94 -0.04 112.91 112.31 1urk h THR 78 Ca 0.59 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.69 1urk h THR 78 Cb 2.10 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.50 1urk h THR 78 CO -0.17 0.00 0.11 1.62 0.37 0.00 0.00 175.52 177.45 1urk h VAL 79 N -1.27 1.26 -0.29 3.16 3.04 -0.31 0.20 116.25 122.05 1urk h VAL 79 Ca -0.12 -1.02 0.08 0.00 -1.01 0.00 0.00 66.70 64.64 1urk h VAL 79 Cb 1.00 0.65 -0.01 0.00 -2.01 0.00 0.00 31.29 30.92 1urk h VAL 79 CO 0.15 0.38 0.46 -0.07 -1.01 0.00 0.00 177.57 177.48 1urk h LEU 80 N 1.00 0.00 0.22 3.16 3.38 -1.01 0.78 115.31 122.83 1urk h LEU 80 Ca 0.20 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.83 1urk h LEU 80 Cb 0.43 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.20 1urk h LEU 80 CO 0.01 0.00 -1.54 1.56 0.09 0.00 0.00 178.44 178.56 1urk h GLN 81 N 0.00 0.47 0.00 1.13 4.20 0.10 -3.46 115.11 117.55 1urk h GLN 81 Ca 0.14 -0.80 0.00 0.00 0.06 0.00 0.00 58.65 58.04 1urk h GLN 81 Cb 1.05 0.30 0.00 0.00 0.30 0.00 0.00 27.48 29.13 1urk h GLN 81 CO -0.00 1.38 0.00 1.04 -0.67 0.00 0.00 178.83 180.58 1urk n GLN 82 N -3.66 2.07 0.00 1.46 1.13 0.27 -5.06 117.38 113.59 1urk n GLN 82 Ca -0.18 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.88 1urk n GLN 82 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.44 1urk n GLN 82 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1urk n THR 83 N -0.13 0.00 -1.49 5.09 -1.04 -1.26 -4.75 114.28 110.69 1urk n THR 83 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 1urk n THR 83 Cb 0.00 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.38 1urk n THR 83 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1urk n TYR 84 N 0.00 0.75 -1.49 -1.42 4.01 -1.26 -4.49 117.16 113.26 1urk n TYR 84 Ca 0.00 0.36 0.00 0.00 -0.16 0.00 0.00 57.90 58.10 1urk n TYR 84 Cb 0.00 -2.42 0.00 0.00 -0.31 0.00 0.00 39.34 36.61 1urk n TYR 84 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01 1urk n HIS 85 N 11.17 0.00 -1.68 -0.72 1.44 -1.26 -4.87 115.22 119.30 1urk n HIS 85 Ca 0.60 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 56.31 1urk n HIS 85 Cb 0.11 0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.30 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 0.00 -0.50 0.00 1.59 0.00 -1.26 -3.99 120.51 116.35 1urk n ALA 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1urk n ALA 86 Cb 0.49 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.50 0.00 -0.35 0.00 8.25 -1.26 -4.93 115.22 115.42 1urk n HIS 87 Ca -0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 1urk n HIS 87 Cb 0.51 0.00 0.17 0.00 1.12 0.00 0.00 29.99 31.79 1urk n HIS 87 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1urk n ARG 88 N 0.00 -3.33 -0.19 -0.41 1.85 -1.26 -4.83 116.66 108.49 1urk n ARG 88 Ca 0.00 -0.95 0.02 0.00 -1.00 0.00 0.00 57.85 55.93 1urk n ARG 88 Cb 0.00 -1.11 0.10 0.00 -1.05 0.00 0.00 32.46 30.40 1urk n ARG 88 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1urk n SER 89 N -4.55 1.80 -0.26 2.89 2.88 -1.26 -3.58 113.62 111.53 1urk n SER 89 Ca 0.09 -2.15 0.00 0.00 -1.33 0.00 0.00 58.87 55.47 1urk n SER 89 Cb 0.36 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 1urk n SER 89 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1urk n ASP 90 N 0.14 0.00 0.11 -3.46 9.92 -1.26 -4.86 116.55 117.13 1urk n ASP 90 Ca 0.07 -1.17 0.13 0.00 -0.53 0.00 0.00 54.79 53.29 1urk n ASP 90 Cb 0.37 -0.03 0.32 0.00 -0.64 0.00 0.00 41.12 41.14 1urk n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1urk h ALA 91 N 0.00 0.90 0.00 2.24 0.00 -1.90 -3.15 119.26 117.36 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 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1urk h ALA 91 CO 0.00 0.00 -0.45 1.47 0.00 0.00 0.00 179.25 180.27 1urk n LEU 92 N -2.35 0.65 0.02 0.00 -0.00 -1.26 -3.10 117.00 110.96 1urk n LEU 92 Ca 0.05 0.28 0.13 0.00 -0.00 0.00 0.00 56.01 56.47 1urk n LEU 92 Cb 0.45 -0.24 0.36 0.00 -0.00 0.00 0.00 43.42 43.99 1urk n LEU 92 CO 0.32 -0.05 0.63 0.00 -0.00 0.00 0.00 177.39 178.29 1urk n GLN 93 N -2.02 0.06 -0.01 1.47 1.13 -1.19 -3.58 117.38 113.25 1urk n GLN 93 Ca 0.04 0.03 0.09 0.00 -1.94 0.00 0.00 57.00 55.22 1urk n GLN 93 Cb 0.42 -1.55 -0.13 0.00 0.11 0.00 0.00 30.24 29.09 1urk n GLN 93 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1urk n LEU 94 N -1.64 0.15 -1.76 1.08 7.99 -1.22 -5.05 117.00 116.55 1urk n LEU 94 Ca 0.06 -0.09 -0.01 0.00 -0.01 0.00 0.00 56.01 55.95 1urk n LEU 94 Cb 0.36 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.67 1urk n LEU 94 CO 0.32 0.04 -0.00 0.61 -1.51 0.00 0.00 177.39 176.85 1urk n GLY 95 N 1.49 -1.08 0.01 -0.72 0.00 -1.18 -4.97 105.19 98.73 1urk n GLY 95 Ca -0.02 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.39 0.00 0.00 0.99 4.77 -1.24 -4.95 117.00 116.19 1urk n LEU 96 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1urk n LEU 96 Cb 0.08 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1urk n LEU 96 CO 0.09 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1urk n GLY 97 N 2.56 1.42 2.73 -0.72 0.00 -1.26 -3.58 105.19 106.34 1urk n GLY 97 Ca -0.02 0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 1.38 0.01 1.61 2.20 -1.26 -4.34 119.74 119.34 1urk s LYS 98 Ca 0.00 -2.11 -0.03 0.00 -0.36 0.00 0.00 55.97 53.47 1urk s LYS 98 Cb 0.00 -2.43 0.01 0.00 -1.51 0.00 0.00 37.83 33.90 1urk s LYS 98 CO 0.00 -1.17 0.15 -2.39 -0.36 0.00 0.00 175.35 171.58 1urk n HIS 99 N 3.43 -0.46 -3.71 4.03 1.44 -1.24 -4.93 115.22 113.78 1urk n HIS 99 Ca 0.09 -0.13 -0.28 0.00 -2.01 0.00 0.00 57.72 55.39 1urk n HIS 99 Cb 0.35 0.06 -0.12 0.00 0.12 0.00 0.00 29.99 30.40 1urk n HIS 99 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1urk s ASN 100 N -1.33 3.54 -0.12 4.39 2.20 -1.26 -1.15 114.94 121.21 1urk s ASN 100 Ca 0.03 -3.30 -0.00 0.00 -0.94 0.00 0.00 52.86 48.65 1urk s ASN 100 Cb -0.00 -1.15 0.03 0.00 -2.00 0.00 0.00 41.25 38.13 1urk s ASN 100 CO 0.00 -0.16 -0.07 -0.31 -2.94 0.00 0.00 177.10 173.63 1urk s TYR 101 N -0.54 1.50 -0.74 1.54 1.51 -1.26 -4.54 117.35 114.81 1urk s TYR 101 Ca 0.25 -0.78 -0.27 0.00 -1.01 0.00 0.00 57.07 55.26 1urk s TYR 101 Cb -0.08 -1.23 -0.15 0.00 -0.11 0.00 0.00 41.96 40.39 1urk s TYR 101 CO -0.13 -0.53 2.51 0.00 -1.11 0.00 0.00 175.55 176.29 1urk h ARG 103 N 15.72 0.00 -6.39 0.00 9.65 -1.89 -3.44 114.38 128.03 1urk h ARG 103 Ca -0.13 0.00 -0.45 0.00 -1.10 0.00 0.00 59.98 58.30 1urk h ARG 103 Cb 1.25 0.00 0.05 0.00 -1.39 0.00 0.00 29.97 29.88 1urk h ARG 103 CO 1.26 0.00 -0.91 -1.71 2.80 0.00 0.00 179.97 181.41 1urk n ASN 104 N -2.29 -5.19 0.00 -3.80 2.85 -1.26 -4.53 115.26 101.04 1urk n ASN 104 Ca 0.03 -1.01 0.00 0.00 -0.11 0.00 0.00 54.58 53.48 1urk n ASN 104 Cb 0.47 -2.91 0.00 0.00 1.24 0.00 0.00 39.78 38.58 1urk n ASN 104 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1urk n PRO 105 N -4.02 0.00 -3.46 1.20 -0.04 -1.26 -4.59 135.00 122.82 1urk n PRO 105 Ca -0.12 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.15 1urk n PRO 105 Cb 0.59 -0.24 -0.12 0.00 -0.04 0.00 0.00 33.50 33.69 1urk n PRO 105 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1urk s ASP 106 N -1.40 1.83 0.00 3.54 1.01 -1.26 -4.93 116.67 115.46 1urk s ASP 106 Ca 0.00 -0.60 0.00 0.00 0.71 0.00 0.00 52.55 52.66 1urk s ASP 106 Cb 0.00 0.32 0.00 0.00 1.01 0.00 0.00 42.92 44.25 1urk s ASP 106 CO 0.00 -0.37 0.00 -3.20 0.21 0.00 0.00 175.17 171.81 1urk n ASN 107 N 5.31 0.00 -3.32 0.27 2.85 -1.26 -5.06 115.26 114.05 1urk n ASN 107 Ca -0.04 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.23 1urk n ASN 107 Cb 0.47 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.42 1urk n ASN 107 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1urk n ARG 108 N 0.00 0.46 0.01 1.20 3.00 -1.26 -5.04 116.66 115.03 1urk n ARG 108 Ca 0.00 -3.14 0.11 0.00 -0.01 0.00 0.00 57.85 54.81 1urk n ARG 108 Cb 0.00 2.23 -0.06 0.00 0.00 0.00 0.00 32.46 34.63 1urk n ARG 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1urk n ARG 109 N -0.69 0.28 -4.69 5.56 1.74 -1.26 -4.90 116.66 112.70 1urk n ARG 109 Ca 0.02 -0.05 -0.32 0.00 -0.77 0.00 0.00 57.85 56.74 1urk n ARG 109 Cb 0.56 -1.55 -0.12 0.00 -1.02 0.00 0.00 32.46 30.34 1urk n ARG 109 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1urk s ARG 110 N -3.21 2.36 0.03 5.56 0.52 -1.26 -4.69 118.95 118.27 1urk s ARG 110 Ca 0.02 -0.80 -0.36 0.00 -0.52 0.00 0.00 55.73 54.07 1urk s ARG 110 Cb 0.15 -2.34 -0.15 0.00 0.52 0.00 0.00 34.95 33.12 1urk s ARG 110 CO 0.85 0.59 1.53 -2.30 0.02 0.00 0.00 175.30 175.98 1urk n PRO 111 N 1.84 1.54 -4.28 3.54 -0.02 -1.26 -4.76 135.00 131.59 1urk n PRO 111 Ca -0.16 0.56 -0.17 0.00 -2.02 0.00 0.00 63.50 61.70 1urk n PRO 111 Cb 0.52 -2.26 -0.09 0.00 -0.02 0.00 0.00 33.50 31.65 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 1.48 1.51 0.05 6.00 1.48 -1.25 -0.76 118.94 127.45 1urk s TRP 112 Ca 0.86 -1.44 -0.19 0.00 -1.06 0.00 0.00 56.10 54.27 1urk s TRP 112 Cb -0.87 -0.74 0.04 0.00 -1.16 0.00 0.00 33.47 30.74 1urk s TRP 112 CO 0.48 -0.63 0.45 0.00 -4.06 0.00 0.00 176.95 173.18 1urk s TYR 114 N -2.50 1.84 -0.20 0.00 1.51 -1.26 -2.25 117.35 114.49 1urk s TYR 114 Ca -0.05 0.64 -0.10 0.00 -1.01 0.00 0.00 57.07 56.55 1urk s TYR 114 Cb -0.01 -3.99 -0.05 0.00 -0.11 0.00 0.00 41.96 37.80 1urk s TYR 114 CO -0.02 -1.50 0.13 0.54 -1.11 0.00 0.00 175.55 173.59 1urk s VAL 115 N 10.75 5.38 -0.10 0.71 0.11 -0.86 -1.99 120.40 134.40 1urk s VAL 115 Ca 0.70 0.18 -0.36 0.00 -2.93 0.00 0.00 61.98 59.58 1urk s VAL 115 Cb -0.04 -3.45 -0.13 0.00 -1.53 0.00 0.00 36.38 31.22 1urk s VAL 115 CO 0.06 0.44 1.81 0.00 -3.33 0.00 0.00 175.10 174.08 1urk n GLN 116 N 3.50 1.92 -0.90 1.54 6.02 -1.26 -1.63 117.38 126.57 1urk n GLN 116 Ca -0.16 0.70 0.05 0.00 -0.01 0.00 0.00 57.00 57.59 1urk n GLN 116 Cb 0.52 -2.50 0.39 0.00 1.02 0.00 0.00 30.24 29.67 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 4.79 2.72 0.00 5.09 0.31 -1.07 -4.85 118.33 125.33 1urk n VAL 117 Ca 0.23 -1.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.17 1urk n VAL 117 Cb 0.25 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 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 0.54 3.59 0.00 2.92 0.00 -1.26 -4.78 105.19 106.20 1urk n GLY 118 Ca 0.28 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.73 0.99 -0.00 -1.26 -5.08 117.00 107.92 1urk n LEU 119 Ca 0.00 -0.02 -0.12 0.00 -0.00 0.00 0.00 56.01 55.87 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 0.00 -0.11 -0.54 -0.00 0.00 0.00 177.39 176.74 1urk s LYS 120 N -0.05 0.22 -0.78 1.47 1.02 -1.26 -5.07 119.74 115.30 1urk s LYS 120 Ca 0.00 0.52 -0.24 0.00 0.02 0.00 0.00 55.97 56.28 1urk s LYS 120 Cb 0.00 -0.09 -0.16 0.00 -0.52 0.00 0.00 37.83 37.05 1urk s LYS 120 CO 0.00 -0.15 2.39 -2.30 -0.92 0.00 0.00 175.35 174.37 1urk n PRO 121 N 4.12 0.53 -3.46 -1.68 -0.02 -1.26 -2.60 135.00 130.64 1urk n PRO 121 Ca -0.24 -0.50 -0.37 0.00 -2.02 0.00 0.00 63.50 60.36 1urk n PRO 121 Cb 0.54 -3.10 -0.06 0.00 -0.02 0.00 0.00 33.50 30.85 1urk n PRO 121 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1urk s LEU 122 N 11.66 4.30 0.14 2.45 0.20 -0.65 -4.61 118.68 132.17 1urk s LEU 122 Ca 1.03 0.70 -0.31 0.00 0.69 0.00 0.00 54.13 56.23 1urk s LEU 122 Cb -0.32 -2.52 -0.08 0.00 -0.43 0.00 0.00 46.19 42.84 1urk s LEU 122 CO 0.22 0.11 1.37 0.68 -0.29 0.00 0.00 176.35 178.43 1urk s VAL 123 N 0.23 3.25 0.12 1.68 -7.23 -1.25 -2.02 120.40 115.17 1urk s VAL 123 Ca 0.21 0.94 0.06 0.00 -1.81 0.00 0.00 61.98 61.38 1urk s VAL 123 Cb -0.14 -3.60 -0.04 0.00 0.56 0.00 0.00 36.38 33.16 1urk s VAL 123 CO 0.08 0.10 -0.14 0.00 -0.31 0.00 0.00 175.10 174.83 1urk s GLN 124 N 0.68 0.99 -0.92 4.82 0.00 -0.95 -4.84 119.66 119.45 1urk s GLN 124 Ca 0.62 -1.21 -0.24 0.00 -0.00 0.00 0.00 55.36 54.53 1urk s GLN 124 Cb -0.37 -0.86 -0.01 0.00 0.00 0.00 0.00 33.01 31.77 1urk s GLN 124 CO 0.33 0.16 1.74 -1.21 0.00 0.00 0.00 175.29 176.32 1urk s GLU 125 N -2.62 2.94 0.00 9.60 2.02 -1.26 -2.09 118.70 127.30 1urk s GLU 125 Ca 0.08 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.55 1urk s GLU 125 Cb -0.05 -5.09 0.00 0.00 0.10 0.00 0.00 34.13 29.09 1urk s GLU 125 CO 0.03 -2.88 0.03 0.00 0.02 0.00 0.00 175.26 172.45 1urk n MET 127 N -0.32 0.00 -0.65 0.00 0.00 -1.26 -0.19 117.12 114.69 1urk n MET 127 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.38 1urk n MET 127 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 33.22 33.40 1urk n MET 127 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 175.97 177.52 1urk n VAL 128 N 0.00 0.00 -0.98 3.17 3.14 -1.26 -4.83 118.33 117.58 1urk n VAL 128 Ca 0.00 -0.30 -0.35 0.00 -2.96 0.00 0.00 64.34 60.72 1urk n VAL 128 Cb 0.00 -0.62 0.06 0.00 -1.06 0.00 0.00 33.84 32.22 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 -4.49 -3.87 -4.33 1.45 -0.00 -1.26 -4.94 115.22 97.78 1urk n HIS 129 Ca 0.01 0.08 -0.35 0.00 -0.00 0.00 0.00 57.72 57.46 1urk n HIS 129 Cb 0.62 -1.57 -0.09 0.00 -0.00 0.00 0.00 29.99 28.95 1urk n HIS 129 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1urk s ASP 130 N -1.29 5.30 -0.15 0.26 1.11 -1.26 -4.97 116.67 115.67 1urk s ASP 130 Ca 0.47 0.16 0.14 0.00 0.18 0.00 0.00 52.55 53.50 1urk s ASP 130 Cb -0.22 -1.53 0.32 0.00 1.07 0.00 0.00 42.92 42.56 1urk s ASP 130 CO 0.77 0.37 1.22 0.00 1.18 0.00 0.00 175.17 178.70 1urk n ALA 132 N -0.47 4.39 -2.19 0.00 0.00 -1.26 -4.71 120.51 116.27 1urk n ALA 132 Ca -0.10 -3.55 -0.03 0.00 0.00 0.00 0.00 53.44 49.76 1urk n ALA 132 Cb 0.87 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 1urk n ALA 132 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1urk n ASP 133 N -0.66 -0.31 0.20 0.00 5.68 -1.26 -4.91 116.55 115.28 1urk n ASP 133 Ca 0.34 -2.00 0.15 0.00 -0.50 0.00 0.00 54.79 52.78 1urk n ASP 133 Cb 0.91 0.10 0.78 0.00 -1.14 0.00 0.00 41.12 41.77 1urk n ASP 133 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1urk h GLY 134 N 0.38 0.00 1.00 6.12 0.00 -1.98 -3.56 103.07 105.03 1urk h GLY 134 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1urk h GLY 134 CO -0.15 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.56