#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1urk n VAL 7 N 0.00 -0.74 -1.53 5.09 3.14 -1.26 -5.06 118.33 117.97 1urk n VAL 7 Ca 0.00 -3.32 -0.19 0.00 -2.96 0.00 0.00 64.34 57.86 1urk n VAL 7 Cb 0.00 -1.26 -0.14 0.00 -1.06 0.00 0.00 33.84 31.38 1urk n VAL 7 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1urk n PRO 8 N 2.00 0.32 -0.66 1.45 -0.02 -1.26 -4.65 135.00 132.17 1urk n PRO 8 Ca 0.22 -0.41 0.06 0.00 -2.02 0.00 0.00 63.50 61.35 1urk n PRO 8 Cb 0.53 -2.44 0.17 0.00 -0.02 0.00 0.00 33.50 31.74 1urk n PRO 8 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1urk n SER 9 N 12.61 1.65 -1.62 2.55 2.88 -1.26 -4.93 113.62 125.50 1urk n SER 9 Ca 0.56 -3.54 -0.11 0.00 -1.33 0.00 0.00 58.87 54.46 1urk n SER 9 Cb 0.29 -0.48 -0.04 0.00 -0.75 0.00 0.00 64.21 63.24 1urk n SER 9 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1urk n ASN 10 N -0.92 -3.04 0.00 -3.46 4.13 -1.26 -4.70 115.26 106.01 1urk n ASN 10 Ca 0.17 0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.68 1urk n ASN 10 Cb 0.75 -2.84 0.00 0.00 -1.54 0.00 0.00 39.78 36.15 1urk n ASN 10 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1urk s ASP 12 N 0.00 -0.12 0.00 0.00 1.47 -1.26 -4.98 116.67 111.78 1urk s ASP 12 Ca 0.00 -0.02 0.00 0.00 1.18 0.00 0.00 52.55 53.71 1urk s ASP 12 Cb 0.00 0.68 0.00 0.00 -0.34 0.00 0.00 42.92 43.26 1urk s ASP 12 CO 0.00 -0.02 0.00 0.00 0.68 0.00 0.00 175.17 175.83 1urk s LEU 14 N 0.00 0.88 -1.51 0.00 1.43 0.93 -4.73 118.68 115.68 1urk s LEU 14 Ca 0.00 -1.41 0.00 0.00 -1.03 0.00 0.00 54.13 51.69 1urk s LEU 14 Cb 0.00 1.58 0.00 0.00 0.03 0.00 0.00 46.19 47.80 1urk s LEU 14 CO 0.00 -1.31 0.00 0.59 0.23 0.00 0.00 176.35 175.86 1urk n ASN 15 N -1.30 -5.05 -0.16 2.29 4.13 -1.24 -0.92 115.26 113.00 1urk n ASN 15 Ca 0.00 0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.36 1urk n ASN 15 Cb 0.62 -4.25 0.00 0.00 -1.54 0.00 0.00 39.78 34.60 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 -0.89 0.59 0.00 7.41 0.00 -1.26 -5.04 105.19 106.00 1urk n GLY 16 Ca -0.20 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1urk n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1urk n GLY 17 N -0.83 -3.09 3.04 -0.02 0.00 -0.10 -4.99 105.19 99.20 1urk n GLY 17 Ca 0.00 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 1urk n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1urk s THR 18 N -0.58 1.68 -0.66 2.61 2.01 -0.53 -4.92 115.64 115.25 1urk s THR 18 Ca 0.00 -0.72 -0.26 0.00 0.31 0.00 0.00 61.69 61.02 1urk s THR 18 Cb 0.00 -1.57 0.04 0.00 0.01 0.00 0.00 72.50 70.98 1urk s THR 18 CO 0.00 0.46 1.16 0.00 -0.69 0.00 0.00 174.62 175.55 1urk s VAL 20 N 5.01 2.70 -0.28 0.00 -7.23 -1.26 -5.01 120.40 114.34 1urk s VAL 20 Ca 0.34 -1.69 -0.24 0.00 -1.81 0.00 0.00 61.98 58.58 1urk s VAL 20 Cb -0.10 -2.97 0.09 0.00 0.56 0.00 0.00 36.38 33.96 1urk s VAL 20 CO 0.17 -0.10 0.84 -0.44 -0.31 0.00 0.00 175.10 175.26 1urk s SER 21 N -3.88 -0.64 0.56 4.85 0.01 -1.26 -3.76 113.70 109.58 1urk s SER 21 Ca 0.40 1.23 0.02 0.00 1.31 0.00 0.00 55.95 58.91 1urk s SER 21 Cb -0.00 1.25 0.05 0.00 0.21 0.00 0.00 66.02 67.53 1urk s SER 21 CO 0.23 -0.21 0.79 0.21 0.41 0.00 0.00 173.24 174.66 1urk s ASN 22 N 0.39 5.17 0.00 2.44 3.04 -1.21 -4.85 114.94 119.92 1urk s ASN 22 Ca 0.01 -0.13 0.00 0.00 0.04 0.00 0.00 52.86 52.77 1urk s ASN 22 Cb -0.05 -0.68 0.00 0.00 -1.54 0.00 0.00 41.25 38.98 1urk s ASN 22 CO -0.03 -1.22 0.18 1.17 -3.04 0.00 0.00 177.10 174.16 1urk n LYS 23 N -2.37 0.00 -0.26 0.43 4.81 -1.26 -4.03 118.16 115.48 1urk n LYS 23 Ca 0.09 -0.18 0.09 0.00 -0.87 0.00 0.00 58.31 57.44 1urk n LYS 23 Cb 0.60 -0.36 0.24 0.00 0.02 0.00 0.00 35.03 35.53 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 0.00 0.68 -2.12 5.64 4.01 -1.26 -4.05 117.16 120.06 1urk n TYR 24 Ca 0.00 -0.34 0.00 0.00 -0.16 0.00 0.00 57.90 57.40 1urk n TYR 24 Cb 0.38 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.40 1urk n TYR 24 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1urk n PHE 25 N 1.06 0.00 0.00 -0.72 3.01 -1.26 -4.99 117.46 114.55 1urk n PHE 25 Ca 0.18 -0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1urk n PHE 25 Cb 0.45 0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.95 1urk n PHE 25 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1urk n SER 26 N 0.12 0.00 -3.08 4.37 3.41 -1.26 -4.67 113.62 112.51 1urk n SER 26 Ca -0.01 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.65 1urk n SER 26 Cb 0.77 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 1urk n SER 26 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1urk s ASN 27 N 0.00 -0.45 -0.38 4.04 0.01 -1.26 -4.90 114.94 111.99 1urk s ASN 27 Ca 0.00 0.00 0.13 0.00 -0.71 0.00 0.00 52.86 52.28 1urk s ASN 27 Cb 0.00 1.15 0.41 0.00 0.41 0.00 0.00 41.25 43.22 1urk s ASN 27 CO 0.00 -0.08 0.93 -0.38 -1.51 0.00 0.00 177.10 176.06 1urk n ILE 28 N 4.86 1.19 -1.23 0.60 2.08 -1.26 -4.97 119.36 120.63 1urk n ILE 28 Ca 0.09 -4.07 -0.13 0.00 0.56 0.00 0.00 62.75 59.20 1urk n ILE 28 Cb 0.59 -0.16 0.10 0.00 -0.75 0.00 0.00 39.64 39.41 1urk n ILE 28 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1urk n HIS 29 N -0.08 -3.84 0.00 1.39 1.44 -1.26 -3.30 115.22 109.57 1urk n HIS 29 Ca 0.21 -0.49 0.00 0.00 -2.01 0.00 0.00 57.72 55.43 1urk n HIS 29 Cb 0.70 -0.46 0.00 0.00 0.12 0.00 0.00 29.99 30.35 1urk n HIS 29 CO 0.00 0.00 0.00 -2.67 -2.81 0.00 0.00 176.34 170.86 1urk n TRP 30 N -2.99 0.00 -1.61 -1.40 2.14 -1.25 -4.85 117.44 107.47 1urk n TRP 30 Ca 0.07 0.00 -0.56 0.00 2.07 0.00 0.00 57.50 59.09 1urk n TRP 30 Cb 0.25 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 30.68 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 6.74 5.40 -4.44 0.00 2.85 -0.77 -4.98 115.26 120.05 1urk n ASN 32 Ca 0.32 -3.02 -0.28 0.00 -0.11 0.00 0.00 54.58 51.49 1urk n ASN 32 Cb 0.15 -1.47 -0.12 0.00 1.24 0.00 0.00 39.78 39.59 1urk n ASN 32 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1urk n PRO 34 N 0.64 0.43 0.20 0.00 -0.02 -1.26 -4.84 135.00 130.14 1urk n PRO 34 Ca -0.15 0.17 0.05 0.00 -2.02 0.00 0.00 63.50 61.55 1urk n PRO 34 Cb 0.54 -1.69 0.42 0.00 -0.02 0.00 0.00 33.50 32.75 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 0.05 0.00 0.00 -0.52 1.57 -1.98 -1.25 116.57 114.44 1urk h LYS 35 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1urk h LYS 35 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.70 1urk h LYS 35 CO 0.45 0.33 0.00 0.36 -0.57 0.00 0.00 179.45 180.02 1urk n LYS 36 N -3.89 0.97 -2.63 3.15 2.85 -1.26 -4.44 118.16 112.92 1urk n LYS 36 Ca -0.02 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.03 1urk n LYS 36 Cb 0.40 -1.29 0.10 0.00 -0.65 0.00 0.00 35.03 33.59 1urk n LYS 36 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1urk n PHE 37 N -0.79 -2.77 0.00 5.58 3.01 -0.47 0.17 117.46 122.18 1urk n PHE 37 Ca 0.14 -1.81 0.00 0.00 1.01 0.00 0.00 57.45 56.78 1urk n PHE 37 Cb 0.06 -0.66 0.00 0.00 -0.01 0.00 0.00 39.48 38.87 1urk n PHE 37 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1urk n GLY 38 N -2.32 0.27 0.00 1.37 0.00 -0.36 -4.51 105.19 99.64 1urk n GLY 38 Ca 0.16 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.50 0.44 5.85 -0.02 0.00 -1.26 0.94 105.19 110.64 1urk n GLY 39 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1urk n GLY 39 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1urk n GLN 40 N 0.13 0.00 -1.72 1.61 7.27 -1.26 0.29 117.38 123.69 1urk n GLN 40 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.70 1urk n GLN 40 Cb 0.00 0.00 0.05 0.00 2.41 0.00 0.00 30.24 32.70 1urk n GLN 40 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1urk n HIS 41 N 0.00 3.10 -3.25 3.69 8.25 -1.26 -4.87 115.22 120.87 1urk n HIS 41 Ca 0.00 -2.64 -0.09 0.00 -0.26 0.00 0.00 57.72 54.73 1urk n HIS 41 Cb 0.00 -1.21 0.02 0.00 1.12 0.00 0.00 29.99 29.92 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 -2.38 1.99 -3.82 0.00 0.28 0.18 -1.32 120.64 115.56 1urk n GLU 43 Ca -0.06 -3.04 -0.12 0.00 -0.16 0.00 0.00 57.16 53.77 1urk n GLU 43 Cb 0.56 -1.76 -0.10 0.00 1.43 0.00 0.00 31.44 31.57 1urk n GLU 43 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1urk s ILE 44 N -3.10 0.06 -1.12 3.84 1.01 0.27 -4.71 121.20 117.45 1urk s ILE 44 Ca 0.42 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.53 1urk s ILE 44 Cb 0.37 -0.48 0.26 0.00 0.01 0.00 0.00 42.46 42.62 1urk s ILE 44 CO 0.01 -0.28 1.97 -0.67 0.00 0.00 0.00 174.94 175.97 1urk n ASP 45 N 1.62 7.49 -3.73 3.58 -0.08 -1.26 -1.22 116.55 122.95 1urk n ASP 45 Ca -0.21 -3.52 0.00 0.00 -1.51 0.00 0.00 54.79 49.55 1urk n ASP 45 Cb 0.56 -1.23 0.00 0.00 2.34 0.00 0.00 41.12 42.79 1urk n ASP 45 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1urk n LYS 46 N 0.55 2.26 -2.67 -0.67 5.02 0.45 -4.84 118.16 118.26 1urk n LYS 46 Ca 0.50 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.76 1urk n LYS 46 Cb 0.26 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.35 1urk n LYS 46 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1urk n SER 47 N 0.00 -1.28 -4.66 4.39 3.41 -1.07 -4.45 113.62 109.95 1urk n SER 47 Ca 0.00 -1.92 -0.43 0.00 -0.26 0.00 0.00 58.87 56.26 1urk n SER 47 Cb 0.00 1.15 -0.02 0.00 -0.26 0.00 0.00 64.21 65.08 1urk n SER 47 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1urk s LYS 48 N 0.06 4.24 0.00 4.33 2.36 -1.26 -4.85 119.74 124.62 1urk s LYS 48 Ca 0.15 1.63 0.00 0.00 -2.55 0.00 0.00 55.97 55.21 1urk s LYS 48 Cb 0.23 -3.75 0.00 0.00 -1.05 0.00 0.00 37.83 33.26 1urk s LYS 48 CO -0.13 -0.69 0.00 0.25 1.55 0.00 0.00 175.35 176.32 1urk n THR 49 N 5.35 0.00 0.90 3.43 -2.24 -1.26 -4.81 114.28 115.66 1urk n THR 49 Ca 0.14 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.02 1urk n THR 49 Cb 0.45 0.00 0.31 0.00 -2.10 0.00 0.00 70.33 68.99 1urk n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1urk s TYR 51 N -1.67 -0.66 0.63 0.00 -0.85 -1.26 -4.99 117.35 108.56 1urk s TYR 51 Ca 0.34 -0.06 0.26 0.00 -0.52 0.00 0.00 57.07 57.09 1urk s TYR 51 Cb 0.19 0.13 1.34 0.00 0.38 0.00 0.00 41.96 43.99 1urk s TYR 51 CO 0.27 -0.48 1.76 0.93 -1.52 0.00 0.00 175.55 176.51 1urk h GLU 52 N 5.11 0.00 0.00 -3.49 5.08 -1.99 -3.40 114.58 115.88 1urk h GLU 52 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1urk h GLU 52 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1urk h GLU 52 CO -0.06 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.36 1urk n GLY 53 N -1.39 2.79 0.11 -3.84 0.00 -1.26 -5.04 105.19 96.56 1urk n GLY 53 Ca 0.04 -1.83 0.02 0.00 0.00 0.00 0.00 46.02 44.25 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 0.00 0.91 0.00 1.61 6.94 -1.26 -4.95 115.26 118.51 1urk n ASN 54 Ca 0.00 -0.95 0.00 0.00 -0.02 0.00 0.00 54.58 53.61 1urk n ASN 54 Cb 0.00 0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 1urk n ASN 54 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1urk n GLY 55 N 0.62 0.87 0.49 4.83 0.00 -1.26 -2.78 105.19 107.96 1urk n GLY 55 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 1urk n GLY 55 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1urk h HIS 56 N 0.00 -1.23 0.00 1.61 6.17 -1.91 -3.11 115.15 116.69 1urk h HIS 56 Ca 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.06 1urk h HIS 56 Cb 0.00 0.43 0.00 0.00 2.52 0.00 0.00 27.41 30.36 1urk h HIS 56 CO 0.00 -0.71 -0.61 1.19 0.71 0.00 0.00 177.93 178.51 1urk n PHE 57 N -5.40 0.00 -1.63 5.26 3.72 -1.26 -4.25 117.46 113.90 1urk n PHE 57 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1urk n PHE 57 Cb 0.48 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 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 -3.88 -4.39 -2.91 1.38 9.36 -1.26 -4.96 117.16 110.49 1urk n TYR 58 Ca -0.09 2.32 -0.13 0.00 3.32 0.00 0.00 57.90 63.33 1urk n TYR 58 Cb 0.32 -3.51 0.03 0.00 -0.63 0.00 0.00 39.34 35.54 1urk n TYR 58 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 1urk n ARG 59 N -0.41 1.05 0.00 2.98 1.85 -1.26 -5.08 116.66 115.79 1urk n ARG 59 Ca 0.00 -2.88 0.00 0.00 -1.00 0.00 0.00 57.85 53.97 1urk n ARG 59 Cb 0.00 -1.27 0.00 0.00 -1.05 0.00 0.00 32.46 30.14 1urk n ARG 59 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1urk n GLY 60 N 0.11 4.57 0.00 2.89 0.00 -1.26 -5.07 105.19 106.43 1urk n GLY 60 Ca 0.14 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1urk n GLY 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1urk n LYS 61 N 0.00 1.66 -1.50 1.61 4.81 -1.26 -5.01 118.16 118.47 1urk n LYS 61 Ca 0.00 0.00 -0.59 0.00 -0.87 0.00 0.00 58.31 56.85 1urk n LYS 61 Cb 0.00 -0.87 -0.09 0.00 0.02 0.00 0.00 35.03 34.08 1urk n LYS 61 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1urk n ALA 62 N -1.35 -0.02 -0.06 3.14 0.00 -1.26 -4.73 120.51 116.23 1urk n ALA 62 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1urk n ALA 62 Cb 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.27 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 6.81 0.15 -4.77 0.00 3.41 -1.26 -4.40 113.62 113.57 1urk n SER 63 Ca 0.41 -0.49 -0.23 0.00 -0.26 0.00 0.00 58.87 58.29 1urk n SER 63 Cb 0.05 0.56 0.09 0.00 -0.26 0.00 0.00 64.21 64.65 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 -0.56 2.28 0.00 6.66 -4.23 -1.25 -4.03 115.64 114.51 1urk s THR 64 Ca 0.00 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1urk s THR 64 Cb 0.00 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 71.13 1urk s THR 64 CO 0.00 0.00 0.00 -0.90 -0.54 0.00 0.00 174.62 173.18 1urk n ASP 65 N -2.73 0.00 -1.08 3.99 5.75 -0.77 -4.38 116.55 117.33 1urk n ASP 65 Ca 0.13 0.00 -0.00 0.00 -0.01 0.00 0.00 54.79 54.91 1urk n ASP 65 Cb 0.60 0.00 0.12 0.00 -1.03 0.00 0.00 41.12 40.81 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 1.12 0.00 2.12 -2.24 -1.25 -2.56 114.28 111.47 1urk n THR 66 Ca 0.00 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1urk n THR 66 Cb 0.00 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 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 0.15 0.00 0.00 -0.78 2.81 -1.26 -4.86 117.12 113.18 1urk n MET 67 Ca 0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 1urk n MET 67 Cb 0.65 -0.42 0.00 0.00 -0.71 0.00 0.00 33.22 32.74 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 2.39 1.07 3.50 3.03 0.00 -1.25 -5.13 105.19 108.80 1urk n GLY 68 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 0.30 0.00 1.61 1.74 -1.26 -4.60 116.66 114.45 1urk n ARG 69 Ca 0.00 0.15 0.10 0.00 -0.77 0.00 0.00 57.85 57.33 1urk n ARG 69 Cb 0.00 -1.92 0.58 0.00 -1.02 0.00 0.00 32.46 30.10 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 -1.08 0.56 -1.07 5.56 -0.04 -1.26 -1.85 135.00 135.82 1urk n PRO 70 Ca 0.10 0.02 0.13 0.00 -0.04 0.00 0.00 63.50 63.72 1urk n PRO 70 Cb 0.50 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.40 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 -6.56 4.42 0.77 0.00 1.43 -0.54 -4.89 118.68 113.31 1urk s LEU 72 Ca 0.00 1.04 -0.11 0.00 -1.03 0.00 0.00 54.13 54.04 1urk s LEU 72 Cb 0.00 -2.94 0.05 0.00 0.03 0.00 0.00 46.19 43.33 1urk s LEU 72 CO 0.00 0.22 1.08 -2.16 0.23 0.00 0.00 176.35 175.72 1urk s PRO 73 N -1.51 2.29 0.00 1.29 0.04 -1.26 -4.51 135.00 131.35 1urk s PRO 73 Ca 0.31 0.99 0.14 0.00 0.04 0.00 0.00 61.00 62.48 1urk s PRO 73 Cb -0.16 -1.91 0.81 0.00 0.04 0.00 0.00 34.50 33.27 1urk s PRO 73 CO 0.17 -1.57 1.38 0.91 0.04 0.00 0.00 177.00 177.94 1urk n TRP 74 N -3.45 0.00 0.02 0.56 7.02 -0.89 -2.41 117.44 118.28 1urk n TRP 74 Ca 0.08 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.62 1urk n TRP 74 Cb 0.54 0.00 0.14 0.00 -2.42 0.00 0.00 31.31 29.56 1urk n TRP 74 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1urk n ASN 75 N -0.76 2.74 -4.59 -0.99 5.15 -1.26 -0.08 115.26 115.47 1urk n ASN 75 Ca 0.10 -1.86 -0.43 0.00 -0.60 0.00 0.00 54.58 51.80 1urk n ASN 75 Cb 0.05 -0.18 -0.04 0.00 -0.53 0.00 0.00 39.78 39.07 1urk n ASN 75 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1urk s SER 76 N -1.01 6.58 0.30 1.20 0.01 -1.01 -4.89 113.70 114.88 1urk s SER 76 Ca 0.23 0.37 0.24 0.00 1.31 0.00 0.00 55.95 58.10 1urk s SER 76 Cb 0.13 -2.43 0.99 0.00 0.21 0.00 0.00 66.02 64.91 1urk s SER 76 CO 0.17 -0.86 0.99 0.00 0.41 0.00 0.00 173.24 173.95 1urk n ALA 77 N 6.73 0.96 0.40 1.44 0.00 -1.26 0.82 120.51 129.60 1urk n ALA 77 Ca 0.05 0.51 -0.18 0.00 0.00 0.00 0.00 53.44 53.82 1urk n ALA 77 Cb 0.48 -0.69 -0.09 0.00 0.00 0.00 0.00 19.45 19.16 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 0.27 -0.10 0.00 2.02 -1.94 -0.80 112.91 112.37 1urk h THR 78 Ca 0.57 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.70 1urk h THR 78 Cb 1.97 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 1urk h THR 78 CO -0.21 0.00 -0.10 1.62 0.37 0.00 0.00 175.52 177.20 1urk h VAL 79 N -1.00 1.13 -0.37 3.16 3.04 0.14 0.94 116.25 123.28 1urk h VAL 79 Ca -0.10 -0.58 0.07 0.00 -1.01 0.00 0.00 66.70 65.08 1urk h VAL 79 Cb 0.76 1.17 -0.02 0.00 -2.01 0.00 0.00 31.29 31.19 1urk h VAL 79 CO 0.17 0.18 0.26 -0.07 -1.01 0.00 0.00 177.57 177.09 1urk h LEU 80 N 0.14 0.19 -0.38 3.16 3.38 -0.54 0.37 115.31 121.62 1urk h LEU 80 Ca 0.03 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 1urk h LEU 80 Cb 0.27 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1urk h LEU 80 CO 0.02 0.12 -0.81 -0.61 0.09 0.00 0.00 178.44 177.24 1urk h GLN 81 N 0.21 0.08 0.00 1.13 4.15 0.61 -3.44 115.11 117.85 1urk h GLN 81 Ca 0.17 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1urk h GLN 81 Cb 0.39 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.11 1urk h GLN 81 CO -0.03 0.85 0.00 1.04 -1.93 0.00 0.00 178.83 178.76 1urk n GLN 82 N -3.63 2.70 0.00 1.69 1.13 0.13 -5.05 117.38 114.35 1urk n GLN 82 Ca -0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 1urk n GLN 82 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.12 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 0.00 0.00 -2.43 5.09 -1.04 -1.26 -4.88 114.28 109.77 1urk n THR 83 Ca 0.00 0.08 -0.38 0.00 -2.04 0.00 0.00 64.05 61.71 1urk n THR 83 Cb 0.00 -0.90 -0.03 0.00 -1.82 0.00 0.00 70.33 67.58 1urk n THR 83 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1urk s TYR 84 N -0.48 2.39 0.00 -1.42 1.51 -1.26 -4.66 117.35 113.43 1urk s TYR 84 Ca 0.00 -0.61 0.00 0.00 -1.01 0.00 0.00 57.07 55.45 1urk s TYR 84 Cb 0.00 -4.53 0.00 0.00 -0.11 0.00 0.00 41.96 37.32 1urk s TYR 84 CO 0.00 -1.83 0.00 -2.39 -1.11 0.00 0.00 175.55 170.22 1urk n HIS 85 N 10.19 0.00 -2.13 2.71 1.44 -1.26 -4.91 115.22 121.26 1urk n HIS 85 Ca 0.38 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.70 1urk n HIS 85 Cb 0.49 0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.63 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 -3.00 6.28 0.00 1.59 0.00 0.88 -4.49 120.51 121.77 1urk n ALA 86 Ca 0.00 -4.24 0.00 0.00 0.00 0.00 0.00 53.44 49.20 1urk n ALA 86 Cb 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 -0.44 0.00 0.05 0.00 8.25 -1.26 -4.86 115.22 116.95 1urk n HIS 87 Ca 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.97 1urk n HIS 87 Cb 0.28 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.39 1urk n HIS 87 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1urk n ARG 88 N 0.00 0.00 0.00 -0.41 0.63 -1.26 -5.06 116.66 110.56 1urk n ARG 88 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1urk n ARG 88 Cb 0.00 -0.30 0.00 0.00 0.45 0.00 0.00 32.46 32.61 1urk n ARG 88 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1urk n SER 89 N -3.22 0.00 0.00 6.15 7.64 -1.26 -4.93 113.62 118.00 1urk n SER 89 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1urk n SER 89 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1urk n SER 89 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1urk n ASP 90 N 0.00 1.81 0.28 6.43 8.00 -1.26 -4.58 116.55 127.22 1urk n ASP 90 Ca 0.00 -1.81 0.18 0.00 0.71 0.00 0.00 54.79 53.86 1urk n ASP 90 Cb 0.00 0.00 0.71 0.00 -0.02 0.00 0.00 41.12 41.81 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 -1.92 -1.62 119.26 118.96 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 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1urk h ALA 91 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 179.25 180.72 1urk n LEU 92 N -3.10 0.63 0.04 0.00 -0.00 -1.26 0.63 117.00 113.93 1urk n LEU 92 Ca 0.00 0.62 -0.04 0.00 -0.00 0.00 0.00 56.01 56.59 1urk n LEU 92 Cb 0.30 -0.49 -0.10 0.00 -0.00 0.00 0.00 43.42 43.13 1urk n LEU 92 CO 0.27 -0.39 -0.15 1.56 -0.00 0.00 0.00 177.39 178.67 1urk h GLN 93 N 0.00 0.00 -0.02 1.47 1.08 -1.63 -3.32 115.11 112.70 1urk h GLN 93 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1urk h GLN 93 Cb 0.47 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1urk h GLN 93 CO 0.00 0.57 -0.06 1.28 -0.95 0.00 0.00 178.83 179.66 1urk n LEU 94 N -3.11 1.96 -3.41 1.46 7.99 -1.02 -5.01 117.00 115.86 1urk n LEU 94 Ca -0.08 -0.94 -0.13 0.00 -0.01 0.00 0.00 56.01 54.85 1urk n LEU 94 Cb 0.92 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.24 1urk n LEU 94 CO 0.44 0.36 0.07 0.61 -1.51 0.00 0.00 177.39 177.37 1urk n GLY 95 N 0.82 -1.25 0.11 -0.72 0.00 0.20 -4.91 105.19 99.45 1urk n GLY 95 Ca 0.07 0.53 -0.14 0.00 0.00 0.00 0.00 46.02 46.48 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 -2.31 1.51 -4.55 0.99 4.32 -0.99 -4.90 117.00 111.05 1urk n LEU 96 Ca -0.14 0.19 -0.37 0.00 -0.02 0.00 0.00 56.01 55.66 1urk n LEU 96 Cb 0.59 -0.29 0.05 0.00 -1.62 0.00 0.00 43.42 42.16 1urk n LEU 96 CO 0.59 0.62 0.32 0.61 -1.22 0.00 0.00 177.39 178.31 1urk n GLY 97 N 1.82 -0.87 3.69 -0.72 0.00 -1.26 -3.46 105.19 104.39 1urk n GLY 97 Ca -0.29 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 1urk n GLY 97 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1urk n LYS 98 N -0.74 -1.67 0.00 1.61 4.81 -1.26 -4.92 118.16 115.99 1urk n LYS 98 Ca 0.13 0.98 0.00 0.00 -0.87 0.00 0.00 58.31 58.55 1urk n LYS 98 Cb 0.48 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.26 1urk n LYS 98 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1urk n HIS 99 N -1.86 0.00 0.00 5.64 -0.00 -1.23 -5.04 115.22 112.74 1urk n HIS 99 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.48 1urk n HIS 99 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.68 1urk n HIS 99 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 1urk n ASN 100 N 0.00 0.00 0.00 0.26 6.94 -1.26 -2.10 115.26 119.10 1urk n ASN 100 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1urk n ASN 100 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 0.00 0.00 -3.84 -2.53 4.01 -1.26 -4.67 117.16 108.87 1urk n TYR 101 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.62 1urk n TYR 101 Cb 0.00 0.01 -0.14 0.00 -0.31 0.00 0.00 39.34 38.90 1urk n TYR 101 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1urk s ARG 103 N 0.16 1.72 -0.33 0.00 3.00 0.78 -4.69 118.95 119.60 1urk s ARG 103 Ca -0.01 -1.61 0.17 0.00 0.00 0.00 0.00 55.73 54.28 1urk s ARG 103 Cb -0.02 -1.87 0.45 0.00 0.00 0.00 0.00 34.95 33.52 1urk s ARG 103 CO -0.00 0.37 0.99 -1.71 0.00 0.00 0.00 175.30 174.94 1urk n ASN 104 N -0.30 1.09 0.00 0.23 5.15 -1.18 -2.70 115.26 117.56 1urk n ASN 104 Ca -0.08 -2.69 0.08 0.00 -0.60 0.00 0.00 54.58 51.29 1urk n ASN 104 Cb 0.58 -0.37 0.38 0.00 -0.53 0.00 0.00 39.78 39.84 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 -0.11 0.03 0.00 1.20 -0.04 -1.26 -4.70 135.00 130.13 1urk n PRO 105 Ca 0.08 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1urk n PRO 105 Cb 0.82 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 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 -1.47 0.00 -4.07 3.54 2.03 -1.26 -5.03 116.55 110.29 1urk n ASP 106 Ca 0.05 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.01 1urk n ASP 106 Cb 0.20 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.48 1urk n ASP 106 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1urk s ASN 107 N -1.00 5.02 0.14 1.67 2.20 -1.26 -5.05 114.94 116.66 1urk s ASN 107 Ca 0.00 -2.56 -0.18 0.00 -0.94 0.00 0.00 52.86 49.18 1urk s ASN 107 Cb 0.00 -1.78 0.04 0.00 -2.00 0.00 0.00 41.25 37.51 1urk s ASN 107 CO 0.00 -0.40 0.47 -0.13 -2.94 0.00 0.00 177.10 174.10 1urk s ARG 108 N 0.36 1.15 -0.12 3.55 0.52 -1.26 -5.09 118.95 118.05 1urk s ARG 108 Ca 0.14 -0.65 -0.06 0.00 -0.52 0.00 0.00 55.73 54.63 1urk s ARG 108 Cb -0.22 0.51 -0.02 0.00 0.52 0.00 0.00 34.95 35.74 1urk s ARG 108 CO -0.04 -0.47 -0.12 0.00 0.02 0.00 0.00 175.30 174.69 1urk h ARG 109 N 2.25 0.00 -6.82 3.54 3.08 -1.97 -3.47 114.38 110.99 1urk h ARG 109 Ca -0.34 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.22 1urk h ARG 109 Cb 1.27 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.33 1urk h ARG 109 CO 0.44 0.00 0.08 1.03 -1.07 0.00 0.00 179.97 180.44 1urk s ARG 110 N -2.01 3.68 0.03 0.04 0.52 -1.25 -4.30 118.95 115.66 1urk s ARG 110 Ca -0.10 0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 55.11 1urk s ARG 110 Cb 0.01 -2.42 -0.06 0.00 0.52 0.00 0.00 34.95 33.00 1urk s ARG 110 CO 0.15 -0.06 1.33 -1.25 0.02 0.00 0.00 175.30 175.49 1urk s PRO 111 N -4.11 4.33 0.41 3.54 0.04 -1.12 -4.80 135.00 133.29 1urk s PRO 111 Ca 0.49 1.91 0.07 0.00 0.04 0.00 0.00 61.00 63.51 1urk s PRO 111 Cb -0.10 -3.46 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 1urk s PRO 111 CO 0.36 -0.46 0.25 1.67 0.04 0.00 0.00 177.00 178.85 1urk s TRP 112 N 1.84 2.65 -0.08 0.56 1.48 -1.10 0.12 118.94 124.41 1urk s TRP 112 Ca 0.62 -0.55 -0.11 0.00 -1.06 0.00 0.00 56.10 55.00 1urk s TRP 112 Cb -0.31 -2.02 0.03 0.00 -1.16 0.00 0.00 33.47 30.00 1urk s TRP 112 CO 0.27 0.09 0.28 0.00 -4.06 0.00 0.00 176.95 173.53 1urk s TYR 114 N -0.30 1.47 -0.18 0.00 2.02 -1.26 -1.78 117.35 117.32 1urk s TYR 114 Ca -0.04 1.45 -0.09 0.00 -0.37 0.00 0.00 57.07 58.02 1urk s TYR 114 Cb -0.03 -3.67 -0.05 0.00 -0.40 0.00 0.00 41.96 37.81 1urk s TYR 114 CO 0.01 -1.35 0.12 0.54 -1.57 0.00 0.00 175.55 173.30 1urk s VAL 115 N 13.42 5.31 -0.05 0.71 0.11 -0.46 -1.47 120.40 137.97 1urk s VAL 115 Ca 0.80 0.15 -0.34 0.00 -2.93 0.00 0.00 61.98 59.66 1urk s VAL 115 Cb -0.07 -3.40 -0.12 0.00 -1.53 0.00 0.00 36.38 31.25 1urk s VAL 115 CO 0.09 0.47 1.81 0.00 -3.33 0.00 0.00 175.10 174.14 1urk n GLN 116 N 3.26 2.11 -2.25 1.54 6.02 -1.26 -0.96 117.38 125.84 1urk n GLN 116 Ca -0.17 0.77 -0.34 0.00 -0.01 0.00 0.00 57.00 57.26 1urk n GLN 116 Cb 0.53 -2.59 0.02 0.00 1.02 0.00 0.00 30.24 29.21 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 4.76 3.11 0.00 5.09 0.31 -1.11 -4.84 118.33 125.65 1urk n VAL 117 Ca 0.22 -4.71 0.00 0.00 -0.01 0.00 0.00 64.34 59.83 1urk n VAL 117 Cb 0.28 -1.27 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 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 -0.48 2.54 0.00 2.92 0.00 -1.26 -4.37 105.19 104.54 1urk n GLY 118 Ca 0.46 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.50 0.99 -0.00 -1.26 -5.06 117.00 108.17 1urk n LEU 119 Ca 0.00 -0.11 -0.17 0.00 -0.00 0.00 0.00 56.01 55.73 1urk n LEU 119 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.30 1urk n LEU 119 CO 0.00 0.17 -0.18 -1.59 -0.00 0.00 0.00 177.39 175.79 1urk s LYS 120 N 0.00 0.20 -0.74 1.47 0.00 -1.26 -5.07 119.74 114.34 1urk s LYS 120 Ca 0.00 0.31 -0.26 0.00 0.00 0.00 0.00 55.97 56.02 1urk s LYS 120 Cb 0.00 -0.97 -0.15 0.00 0.00 0.00 0.00 37.83 36.71 1urk s LYS 120 CO 0.00 -0.61 2.49 -2.30 0.00 0.00 0.00 175.35 174.93 1urk n PRO 121 N 5.33 0.54 -3.58 1.78 -0.02 -1.26 -2.77 135.00 135.02 1urk n PRO 121 Ca -0.05 -0.11 -0.37 0.00 -2.02 0.00 0.00 63.50 60.95 1urk n PRO 121 Cb 0.50 -2.62 -0.06 0.00 -0.02 0.00 0.00 33.50 31.30 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 10.43 4.44 -0.15 2.45 0.20 -0.13 -4.59 118.68 131.32 1urk s LEU 122 Ca 1.13 0.85 -0.29 0.00 0.69 0.00 0.00 54.13 56.50 1urk s LEU 122 Cb -0.59 -2.58 -0.02 0.00 -0.43 0.00 0.00 46.19 42.57 1urk s LEU 122 CO 0.34 0.31 1.39 0.68 -0.29 0.00 0.00 176.35 178.79 1urk s VAL 123 N -1.14 4.05 -0.13 1.68 -7.23 -1.26 -1.35 120.40 115.03 1urk s VAL 123 Ca 0.24 1.25 0.03 0.00 -1.81 0.00 0.00 61.98 61.69 1urk s VAL 123 Cb -0.15 -3.85 0.01 0.00 0.56 0.00 0.00 36.38 32.94 1urk s VAL 123 CO 0.13 -0.16 -0.22 -1.10 -0.31 0.00 0.00 175.10 173.44 1urk s GLN 124 N 3.79 3.04 -0.88 4.82 1.11 -0.73 -4.72 119.66 126.09 1urk s GLN 124 Ca 0.61 -0.86 -0.19 0.00 0.01 0.00 0.00 55.36 54.93 1urk s GLN 124 Cb -0.24 -2.40 -0.23 0.00 -1.01 0.00 0.00 33.01 29.13 1urk s GLN 124 CO 0.20 0.05 2.30 0.39 0.01 0.00 0.00 175.29 178.24 1urk n GLU 125 N 3.90 0.32 -1.50 2.91 1.02 -1.26 -1.68 120.64 124.35 1urk n GLU 125 Ca -0.20 -0.49 -0.37 0.00 -0.02 0.00 0.00 57.16 56.08 1urk n GLU 125 Cb 0.52 -2.55 -0.16 0.00 -0.02 0.00 0.00 31.44 29.23 1urk n GLU 125 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1urk n MET 127 N 7.97 0.41 -0.77 0.00 2.81 -1.06 -4.77 117.12 121.72 1urk n MET 127 Ca 0.65 0.12 -0.01 0.00 -1.81 0.00 0.00 57.70 56.64 1urk n MET 127 Cb 0.08 -1.85 0.20 0.00 -0.71 0.00 0.00 33.22 30.93 1urk n MET 127 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 1urk n VAL 128 N 6.60 2.43 -2.60 2.03 3.14 -1.26 -4.90 118.33 123.77 1urk n VAL 128 Ca 0.48 -3.00 -0.28 0.00 -2.96 0.00 0.00 64.34 58.59 1urk n VAL 128 Cb 0.06 -0.31 -0.00 0.00 -1.06 0.00 0.00 33.84 32.52 1urk n VAL 128 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1urk s HIS 129 N -3.26 3.56 0.44 1.45 5.04 -1.26 -4.71 115.29 116.55 1urk s HIS 129 Ca 0.42 0.83 0.00 0.00 -1.54 0.00 0.00 55.06 54.78 1urk s HIS 129 Cb 0.39 -2.33 0.00 0.00 0.04 0.00 0.00 32.58 30.69 1urk s HIS 129 CO -0.03 -0.30 0.00 -3.47 -2.34 0.00 0.00 174.74 168.60 1urk n ASP 130 N -2.29 -8.91 -2.73 9.88 2.03 -1.26 -5.00 116.55 108.27 1urk n ASP 130 Ca 0.01 1.27 -0.09 0.00 0.52 0.00 0.00 54.79 56.50 1urk n ASP 130 Cb 0.55 -4.80 0.09 0.00 -0.72 0.00 0.00 41.12 36.24 1urk n ASP 130 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1urk n ALA 132 N 0.31 1.53 -2.47 0.00 0.00 -1.26 -4.90 120.51 113.71 1urk n ALA 132 Ca 0.05 -2.92 -0.19 0.00 0.00 0.00 0.00 53.44 50.38 1urk n ALA 132 Cb 0.71 -0.93 -0.00 0.00 0.00 0.00 0.00 19.45 19.23 1urk n ALA 132 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1urk n ASP 133 N 1.50 -5.48 -2.75 0.00 -0.08 -1.26 -1.52 116.55 106.96 1urk n ASP 133 Ca 0.18 -0.07 -0.21 0.00 -1.51 0.00 0.00 54.79 53.19 1urk n ASP 133 Cb 0.55 -4.49 0.01 0.00 2.34 0.00 0.00 41.12 39.54 1urk n ASP 133 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1urk n GLY 134 N -1.11 -0.51 0.00 0.27 0.00 -1.26 -5.29 105.19 97.30 1urk n GLY 134 Ca -0.20 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1urk n GLY 134 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49