#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 0.85 -0.88 1.69 1.01 -1.26 -5.05 120.40 116.77 1urk s VAL 7 Ca 0.00 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 1urk s VAL 7 Cb 0.00 -0.98 -0.23 0.00 0.00 0.00 0.00 36.38 35.18 1urk s VAL 7 CO 0.00 0.24 2.32 -2.65 0.00 0.00 0.00 175.10 175.01 1urk n PRO 8 N 4.98 0.31 -2.56 2.72 -0.02 -1.26 -4.80 135.00 134.37 1urk n PRO 8 Ca -0.11 -0.38 -0.42 0.00 -2.02 0.00 0.00 63.50 60.57 1urk n PRO 8 Cb 0.49 -2.37 -0.01 0.00 -0.02 0.00 0.00 33.50 31.59 1urk n PRO 8 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1urk s SER 9 N 6.09 6.69 -0.32 2.55 1.04 -1.26 -4.89 113.70 123.60 1urk s SER 9 Ca 1.13 -2.07 0.02 0.00 0.48 0.00 0.00 55.95 55.51 1urk s SER 9 Cb -0.52 -2.58 0.10 0.00 0.10 0.00 0.00 66.02 63.12 1urk s SER 9 CO 0.33 -1.32 0.06 0.20 0.98 0.00 0.00 173.24 173.49 1urk s ASN 10 N 4.55 4.40 0.11 7.02 0.01 -1.26 -5.09 114.94 124.67 1urk s ASN 10 Ca 0.51 -1.86 -0.35 0.00 -0.71 0.00 0.00 52.86 50.45 1urk s ASN 10 Cb 0.02 -1.29 -0.17 0.00 0.41 0.00 0.00 41.25 40.22 1urk s ASN 10 CO 0.02 -0.38 1.15 0.00 -1.51 0.00 0.00 177.10 176.37 1urk n ASP 12 N 2.05 0.00 -3.24 0.00 9.92 -1.26 -4.91 116.55 119.11 1urk n ASP 12 Ca 0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.43 1urk n ASP 12 Cb 0.19 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 1urk n ASP 12 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1urk s LEU 14 N 0.00 1.94 -1.79 0.00 1.02 0.93 -4.51 118.68 116.27 1urk s LEU 14 Ca 0.00 -1.70 0.00 0.00 0.02 0.00 0.00 54.13 52.45 1urk s LEU 14 Cb 0.00 0.03 0.00 0.00 0.02 0.00 0.00 46.19 46.24 1urk s LEU 14 CO 0.00 -0.97 0.00 0.59 0.02 0.00 0.00 176.35 175.99 1urk n ASN 15 N -1.37 -5.54 -0.00 2.29 4.13 -1.26 -1.15 115.26 112.36 1urk n ASN 15 Ca -0.04 0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.35 1urk n ASN 15 Cb 0.64 -4.69 0.00 0.00 -1.54 0.00 0.00 39.78 34.19 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 -0.84 0.69 3.56 7.41 0.00 -1.26 -5.04 105.19 109.70 1urk n GLY 16 Ca -0.23 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.81 1.54 -0.60 -0.02 0.00 -0.30 -5.00 107.32 100.14 1urk s GLY 17 Ca 0.00 -0.30 0.05 0.00 0.00 0.00 0.00 44.72 44.47 1urk s GLY 17 CO 0.00 0.40 0.53 2.41 0.00 0.00 0.00 173.10 176.44 1urk n THR 18 N -4.67 1.03 -2.26 0.90 -1.04 -0.90 -4.69 114.28 102.65 1urk n THR 18 Ca 0.04 -4.59 -0.36 0.00 -2.04 0.00 0.00 64.05 57.09 1urk n THR 18 Cb 0.56 -2.04 -0.01 0.00 -1.82 0.00 0.00 70.33 67.03 1urk n THR 18 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1urk n VAL 20 N -0.79 0.00 -3.15 0.00 0.24 -0.94 -4.78 118.33 108.91 1urk n VAL 20 Ca 0.09 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.43 1urk n VAL 20 Cb 0.49 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.86 1urk n VAL 20 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1urk s SER 21 N 0.35 -1.22 1.00 -1.34 0.15 -1.26 -4.44 113.70 106.94 1urk s SER 21 Ca 0.00 0.25 -0.18 0.00 0.70 0.00 0.00 55.95 56.72 1urk s SER 21 Cb 0.00 1.82 -0.13 0.00 -1.71 0.00 0.00 66.02 65.99 1urk s SER 21 CO 0.00 -0.22 -0.79 -3.20 1.20 0.00 0.00 173.24 170.23 1urk n ASN 22 N 5.35 -5.18 0.00 5.45 5.15 -1.26 -4.94 115.26 119.83 1urk n ASN 22 Ca 0.05 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.19 1urk n ASN 22 Cb 0.55 -0.77 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 1urk n ASN 22 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1urk n LYS 23 N 2.01 0.22 -1.66 1.20 0.00 -1.26 -4.83 118.16 113.84 1urk n LYS 23 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 58.31 57.96 1urk n LYS 23 Cb 0.59 -0.63 0.06 0.00 0.00 0.00 0.00 35.03 35.05 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 -1.56 3.11 -0.60 5.64 4.01 -1.26 -4.92 117.16 121.59 1urk n TYR 24 Ca 0.00 -2.74 0.00 0.00 -0.16 0.00 0.00 57.90 55.00 1urk n TYR 24 Cb 0.13 -1.12 0.00 0.00 -0.31 0.00 0.00 39.34 38.03 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 -0.76 0.00 0.00 -0.72 -0.00 -1.26 -5.10 117.46 109.61 1urk n PHE 25 Ca 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 58.01 1urk n PHE 25 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.08 1urk n PHE 25 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1urk n SER 26 N 0.00 0.00 -2.71 -2.13 2.88 -1.26 -4.99 113.62 105.41 1urk n SER 26 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1urk n SER 26 Cb 0.00 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.56 1urk n SER 26 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1urk n ASN 27 N -1.46 -2.10 -0.75 -3.46 2.85 -1.26 -4.95 115.26 104.13 1urk n ASN 27 Ca 0.00 -3.06 0.09 0.00 -0.11 0.00 0.00 54.58 51.50 1urk n ASN 27 Cb 0.00 1.49 0.24 0.00 1.24 0.00 0.00 39.78 42.74 1urk n ASN 27 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1urk n ILE 28 N -0.08 2.16 -1.56 -1.44 -5.35 -1.26 -5.03 119.36 106.79 1urk n ILE 28 Ca 0.01 -1.89 -0.43 0.00 -0.27 0.00 0.00 62.75 60.17 1urk n ILE 28 Cb 0.77 -0.21 -0.00 0.00 -1.74 0.00 0.00 39.64 38.45 1urk n ILE 28 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1urk n HIS 29 N -0.59 0.85 -3.67 4.28 1.44 -1.26 -4.65 115.22 111.62 1urk n HIS 29 Ca 0.20 0.66 -0.15 0.00 -2.01 0.00 0.00 57.72 56.41 1urk n HIS 29 Cb 0.83 -2.18 -0.08 0.00 0.12 0.00 0.00 29.99 28.68 1urk n HIS 29 CO 0.00 0.00 0.00 1.67 -2.81 0.00 0.00 176.34 175.20 1urk s TRP 30 N -1.19 -0.39 0.24 -1.40 -2.14 -1.26 -4.97 118.94 107.82 1urk s TRP 30 Ca 0.61 0.69 -0.10 0.00 2.66 0.00 0.00 56.10 59.96 1urk s TRP 30 Cb -0.65 0.22 -0.07 0.00 -3.10 0.00 0.00 33.47 29.86 1urk s TRP 30 CO 0.59 -0.45 0.57 0.00 -2.66 0.00 0.00 176.95 174.99 1urk n ASN 32 N -0.18 4.77 -4.64 0.00 5.15 -0.39 -4.86 115.26 115.12 1urk n ASN 32 Ca 0.01 -3.46 -0.24 0.00 -0.60 0.00 0.00 54.58 50.29 1urk n ASN 32 Cb 0.52 -0.87 -0.08 0.00 -0.53 0.00 0.00 39.78 38.82 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 -0.95 0.73 0.18 0.00 -0.02 -1.26 -4.85 135.00 128.83 1urk n PRO 34 Ca -0.04 0.27 0.02 0.00 -2.02 0.00 0.00 63.50 61.73 1urk n PRO 34 Cb 0.62 -1.65 0.35 0.00 -0.02 0.00 0.00 33.50 32.80 1urk n PRO 34 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1urk h LYS 35 N 0.89 0.00 0.00 -0.52 1.63 -2.01 -1.24 116.57 115.32 1urk h LYS 35 Ca -0.42 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.38 1urk h LYS 35 Cb 1.39 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.02 1urk h LYS 35 CO 0.52 0.38 0.00 0.36 -3.45 0.00 0.00 179.45 177.26 1urk n LYS 36 N -4.08 1.00 -3.62 1.90 2.85 -1.26 -4.80 118.16 110.15 1urk n LYS 36 Ca -0.02 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.92 1urk n LYS 36 Cb 0.41 -1.24 -0.05 0.00 -0.65 0.00 0.00 35.03 33.50 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 -2.00 3.50 0.35 5.58 0.40 -0.47 -0.82 117.98 124.52 1urk s PHE 37 Ca 0.23 0.65 -0.16 0.00 -0.60 0.00 0.00 56.93 57.05 1urk s PHE 37 Cb 0.11 -2.07 0.04 0.00 0.51 0.00 0.00 43.02 41.60 1urk s PHE 37 CO 0.18 0.44 0.74 0.20 0.70 0.00 0.00 175.22 177.48 1urk s GLY 38 N -2.24 0.30 0.00 4.36 0.00 -0.96 -4.86 107.32 103.92 1urk s GLY 38 Ca 0.40 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.45 1urk s GLY 38 CO 0.22 -0.29 0.00 0.61 0.00 0.00 0.00 173.10 173.64 1urk n GLY 39 N -0.51 0.71 5.25 0.20 0.00 -1.26 0.20 105.19 109.79 1urk n GLY 39 Ca -0.06 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 1.90 0.00 -2.49 1.61 3.00 -1.26 0.36 117.38 120.50 1urk n GLN 40 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 1urk n GLN 40 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 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 3.33 -3.33 1.08 8.25 -1.26 -4.89 115.22 118.40 1urk n HIS 41 Ca 0.00 -3.01 -0.14 0.00 -0.26 0.00 0.00 57.72 54.30 1urk n HIS 41 Cb 0.00 -0.71 0.03 0.00 1.12 0.00 0.00 29.99 30.43 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 -2.84 1.66 -4.07 0.00 0.28 0.13 -1.58 120.64 114.23 1urk n GLU 43 Ca -0.08 -3.28 -0.07 0.00 -0.16 0.00 0.00 57.16 53.57 1urk n GLU 43 Cb 0.58 -1.54 -0.10 0.00 1.43 0.00 0.00 31.44 31.81 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 -3.08 0.20 -0.78 3.84 -1.09 0.55 -4.86 121.20 115.97 1urk s ILE 44 Ca 0.39 -1.66 0.03 0.00 -2.23 0.00 0.00 60.65 57.17 1urk s ILE 44 Cb 0.38 -1.34 0.20 0.00 -1.58 0.00 0.00 42.46 40.11 1urk s ILE 44 CO -0.07 -0.92 0.64 0.47 -1.23 0.00 0.00 174.94 173.84 1urk n ASP 45 N 0.30 3.59 0.33 3.58 9.92 -1.26 -2.26 116.55 130.75 1urk n ASP 45 Ca -0.15 -3.21 0.14 0.00 -0.53 0.00 0.00 54.79 51.04 1urk n ASP 45 Cb 0.60 -0.87 0.76 0.00 -0.64 0.00 0.00 41.12 40.98 1urk n ASP 45 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1urk h LYS 46 N 5.49 0.00 -5.43 -1.24 1.57 -1.32 -3.28 116.57 112.36 1urk h LYS 46 Ca 0.16 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.30 1urk h LYS 46 Cb 0.76 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.01 1urk h LYS 46 CO 0.79 0.00 2.22 0.45 -0.57 0.00 0.00 179.45 182.34 1urk n SER 47 N -2.89 4.41 -2.64 0.86 2.88 -1.24 -4.37 113.62 110.63 1urk n SER 47 Ca -0.01 -2.87 -0.05 0.00 -1.33 0.00 0.00 58.87 54.60 1urk n SER 47 Cb 0.43 -1.71 0.08 0.00 -0.75 0.00 0.00 64.21 62.26 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 7.93 0.89 -0.40 -1.46 4.81 -1.24 -4.96 118.16 123.74 1urk n LYS 48 Ca 0.49 -1.39 0.00 0.00 -0.87 0.00 0.00 58.31 56.54 1urk n LYS 48 Cb 0.45 0.02 0.00 0.00 0.02 0.00 0.00 35.03 35.51 1urk n LYS 48 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 1urk n THR 49 N -0.65 0.00 0.00 3.15 5.66 -1.26 -4.88 114.28 116.30 1urk n THR 49 Ca -0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1urk n THR 49 Cb 0.78 0.56 0.00 0.00 -1.55 0.00 0.00 70.33 70.13 1urk n THR 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1urk s TYR 51 N -1.91 -0.57 -0.22 0.00 -0.85 -1.26 -5.12 117.35 107.42 1urk s TYR 51 Ca 0.00 0.87 -0.15 0.00 -0.52 0.00 0.00 57.07 57.27 1urk s TYR 51 Cb 0.00 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.69 1urk s TYR 51 CO 0.00 -0.62 0.37 -1.21 -1.52 0.00 0.00 175.55 172.57 1urk s GLU 52 N -1.65 4.12 1.75 -3.49 2.02 -1.26 -4.91 118.70 115.27 1urk s GLU 52 Ca -0.09 0.11 0.00 0.00 0.02 0.00 0.00 54.97 55.01 1urk s GLU 52 Cb -0.01 -3.57 0.00 0.00 0.10 0.00 0.00 34.13 30.65 1urk s GLU 52 CO 0.05 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 175.65 1urk n GLY 53 N 4.17 0.87 0.24 -1.39 0.00 -1.26 -1.87 105.19 105.94 1urk n GLY 53 Ca -0.09 -0.68 0.04 0.00 0.00 0.00 0.00 46.02 45.29 1urk n GLY 53 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1urk h ASN 54 N 2.88 0.11 -0.43 1.61 7.08 -1.93 -3.47 115.58 121.44 1urk h ASN 54 Ca 0.00 -0.02 0.00 0.00 -3.08 0.00 0.00 56.30 53.20 1urk h ASN 54 Cb 0.00 -0.03 0.00 0.00 -2.08 0.00 0.00 38.32 36.21 1urk h ASN 54 CO 0.00 0.25 0.00 0.61 -2.08 0.00 0.00 177.43 176.21 1urk n GLY 55 N -1.05 0.73 0.22 9.14 0.00 -0.78 -3.85 105.19 109.59 1urk n GLY 55 Ca -0.02 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 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 1.07 -0.28 1.61 2.76 -1.90 -3.28 115.15 115.13 1urk h HIS 56 Ca 0.00 -0.50 -0.12 0.00 -2.20 0.00 0.00 60.37 57.55 1urk h HIS 56 Cb 0.29 -0.15 -0.07 0.00 1.55 0.00 0.00 27.41 29.02 1urk h HIS 56 CO 0.00 1.33 -0.09 1.97 -1.30 0.00 0.00 177.93 179.84 1urk n PHE 57 N -3.93 0.89 -0.04 5.26 1.16 -1.26 -4.56 117.46 114.98 1urk n PHE 57 Ca -0.08 -1.41 -0.11 0.00 -1.87 0.00 0.00 57.45 53.97 1urk n PHE 57 Cb 0.78 -0.41 -0.14 0.00 -1.61 0.00 0.00 39.48 38.09 1urk n PHE 57 CO 0.00 0.00 0.00 0.98 -1.87 0.00 0.00 176.76 175.87 1urk n TYR 58 N -1.03 0.79 -3.17 2.97 9.36 -1.24 -4.99 117.16 119.85 1urk n TYR 58 Ca 0.29 0.26 -0.15 0.00 3.32 0.00 0.00 57.90 61.61 1urk n TYR 58 Cb 0.95 -1.14 0.05 0.00 -0.63 0.00 0.00 39.34 38.58 1urk n TYR 58 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1urk n ARG 59 N -3.07 -5.15 -0.72 2.98 3.00 -1.26 -4.96 116.66 107.49 1urk n ARG 59 Ca -0.24 0.56 -0.31 0.00 -0.01 0.00 0.00 57.85 57.84 1urk n ARG 59 Cb 1.07 -4.76 0.14 0.00 0.00 0.00 0.00 32.46 28.91 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 -1.42 -2.60 0.00 -0.13 0.00 -1.26 -4.92 105.19 94.86 1urk n GLY 60 Ca -0.04 -0.64 0.06 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.05 3.00 -1.60 1.61 4.81 -1.26 -4.99 118.16 118.68 1urk n LYS 61 Ca 0.01 -0.00 -0.56 0.00 -0.87 0.00 0.00 58.31 56.88 1urk n LYS 61 Cb 0.61 -1.07 -0.07 0.00 0.02 0.00 0.00 35.03 34.52 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 -1.30 -1.67 0.11 3.14 0.00 -1.26 -4.83 120.51 114.71 1urk n ALA 62 Ca 0.02 0.52 0.02 0.00 0.00 0.00 0.00 53.44 54.00 1urk n ALA 62 Cb 0.19 -1.99 -0.03 0.00 0.00 0.00 0.00 19.45 17.62 1urk n ALA 62 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1urk n SER 63 N 2.78 1.92 -4.99 0.00 7.64 -1.26 -4.19 113.62 115.52 1urk n SER 63 Ca 0.21 -0.33 -0.19 0.00 1.01 0.00 0.00 58.87 59.58 1urk n SER 63 Cb 0.13 1.09 0.01 0.00 -1.01 0.00 0.00 64.21 64.43 1urk n SER 63 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1urk s THR 64 N -1.82 3.25 0.00 0.44 -4.23 -1.25 -3.99 115.64 108.03 1urk s THR 64 Ca 0.00 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 1urk s THR 64 Cb 0.03 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.74 1urk s THR 64 CO 0.18 -0.06 0.00 -0.90 -0.54 0.00 0.00 174.62 173.30 1urk n ASP 65 N -1.92 0.00 -1.27 3.99 5.75 -0.89 -4.51 116.55 117.69 1urk n ASP 65 Ca 0.06 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.79 1urk n ASP 65 Cb 0.59 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.77 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 1.48 0.00 2.12 -2.24 -1.26 -3.10 114.28 111.28 1urk n THR 66 Ca 0.00 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1urk n THR 66 Cb 0.00 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 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 0.00 0.00 -0.78 2.81 -1.26 -4.84 117.12 113.08 1urk n MET 67 Ca 0.17 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 1urk n MET 67 Cb 0.79 -0.61 0.00 0.00 -0.71 0.00 0.00 33.22 32.69 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 2.17 2.13 3.50 3.03 0.00 -1.25 -5.12 105.19 109.65 1urk n GLY 68 Ca 0.00 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1urk n GLY 68 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1urk n ARG 69 N 0.00 0.59 0.00 1.61 1.85 -1.26 -4.60 116.66 114.86 1urk n ARG 69 Ca 0.00 0.23 0.08 0.00 -1.00 0.00 0.00 57.85 57.16 1urk n ARG 69 Cb 0.00 -1.78 0.48 0.00 -1.05 0.00 0.00 32.46 30.11 1urk n ARG 69 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1urk n PRO 70 N -0.21 0.49 -1.15 2.89 -0.04 -1.26 -2.10 135.00 133.62 1urk n PRO 70 Ca 0.12 0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.71 1urk n PRO 70 Cb 0.47 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 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 -6.29 4.23 0.69 0.00 1.43 -0.64 -4.95 118.68 113.15 1urk s LEU 72 Ca 0.00 1.85 -0.12 0.00 -1.03 0.00 0.00 54.13 54.84 1urk s LEU 72 Cb 0.00 -4.14 0.01 0.00 0.03 0.00 0.00 46.19 42.09 1urk s LEU 72 CO 0.00 -0.21 1.07 -2.16 0.23 0.00 0.00 176.35 175.28 1urk s PRO 73 N -2.34 2.86 0.00 1.29 0.04 -1.26 -4.54 135.00 131.04 1urk s PRO 73 Ca 0.54 1.06 0.09 0.00 0.04 0.00 0.00 61.00 62.73 1urk s PRO 73 Cb -0.18 -1.98 0.43 0.00 0.04 0.00 0.00 34.50 32.82 1urk s PRO 73 CO 0.23 -1.17 1.20 0.91 0.04 0.00 0.00 177.00 178.20 1urk n TRP 74 N -3.00 0.00 -0.04 0.56 7.02 -0.44 -1.65 117.44 119.89 1urk n TRP 74 Ca 0.08 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.47 1urk n TRP 74 Cb 0.53 -0.35 -0.15 0.00 -2.42 0.00 0.00 31.31 28.93 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 -1.35 0.63 -4.02 -0.99 2.85 -1.25 0.17 115.26 111.31 1urk n ASN 75 Ca 0.04 0.30 -0.47 0.00 -0.11 0.00 0.00 54.58 54.34 1urk n ASN 75 Cb 0.08 0.24 -0.12 0.00 1.24 0.00 0.00 39.78 41.21 1urk n ASN 75 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1urk n SER 76 N -2.96 0.49 -0.39 1.20 2.88 -0.66 -4.57 113.62 109.60 1urk n SER 76 Ca -0.21 0.40 0.31 0.00 -1.33 0.00 0.00 58.87 58.04 1urk n SER 76 Cb 1.08 -0.84 0.50 0.00 -0.75 0.00 0.00 64.21 64.21 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 8.23 1.09 0.42 -1.46 0.00 -1.26 0.80 120.51 128.33 1urk n ALA 77 Ca 0.55 0.53 -0.18 0.00 0.00 0.00 0.00 53.44 54.34 1urk n ALA 77 Cb -0.01 -0.74 -0.09 0.00 0.00 0.00 0.00 19.45 18.61 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 0.10 -0.47 0.00 2.02 -1.95 -1.17 112.91 111.44 1urk h THR 78 Ca 0.62 -0.15 0.07 0.00 0.77 0.00 0.00 66.41 67.72 1urk h THR 78 Cb 2.21 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.72 1urk h THR 78 CO -0.18 0.01 0.32 1.62 0.37 0.00 0.00 175.52 177.65 1urk h VAL 79 N -1.21 0.95 -0.90 3.16 3.04 0.10 0.34 116.25 121.73 1urk h VAL 79 Ca -0.11 -0.12 0.07 0.00 -1.01 0.00 0.00 66.70 65.53 1urk h VAL 79 Cb 0.84 0.56 -0.07 0.00 -2.01 0.00 0.00 31.29 30.61 1urk h VAL 79 CO 0.18 0.07 0.56 -0.07 -1.01 0.00 0.00 177.57 177.29 1urk h LEU 80 N 0.36 0.86 -1.46 3.16 3.38 -0.80 0.38 115.31 121.19 1urk h LEU 80 Ca 0.21 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1urk h LEU 80 Cb 0.36 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1urk h LEU 80 CO -0.05 0.53 0.20 -0.61 0.09 0.00 0.00 178.44 178.60 1urk h GLN 81 N 0.98 0.57 0.00 1.13 4.15 0.90 -3.42 115.11 119.42 1urk h GLN 81 Ca 0.40 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.76 1urk h GLN 81 Cb 0.23 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.81 1urk h GLN 81 CO -0.20 0.44 0.00 1.04 -1.93 0.00 0.00 178.83 178.19 1urk n GLN 82 N -4.41 2.45 0.00 1.69 1.13 0.13 -5.11 117.38 113.27 1urk n GLN 82 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1urk n GLN 82 Cb 0.11 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.46 1urk n GLN 82 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1urk n THR 83 N 0.00 0.00 -0.97 5.09 -2.24 -1.25 -4.77 114.28 110.14 1urk n THR 83 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1urk n THR 83 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1urk n THR 83 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1urk n TYR 84 N 0.00 0.00 0.00 4.78 4.01 -1.26 -4.75 117.16 119.94 1urk n TYR 84 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1urk n TYR 84 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 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 -0.22 0.00 -1.75 -0.72 1.44 -1.26 -4.91 115.22 107.80 1urk n HIS 85 Ca 0.00 0.00 -0.24 0.00 -2.01 0.00 0.00 57.72 55.47 1urk n HIS 85 Cb 0.00 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.17 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 5.29 -2.71 1.59 0.00 0.46 -3.91 120.51 118.24 1urk n ALA 86 Ca 0.00 -3.62 -0.06 0.00 0.00 0.00 0.00 53.44 49.76 1urk n ALA 86 Cb 0.00 -0.79 0.06 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.83 -2.02 -3.39 0.00 8.25 -1.26 -4.88 115.22 111.09 1urk n HIS 87 Ca 0.48 -1.24 -0.01 0.00 -0.26 0.00 0.00 57.72 56.69 1urk n HIS 87 Cb 0.89 1.34 0.01 0.00 1.12 0.00 0.00 29.99 33.34 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 1.63 0.17 -1.94 -0.41 0.00 -1.26 -5.02 116.66 109.83 1urk n ARG 88 Ca 0.06 -0.36 -0.39 0.00 -0.00 0.00 0.00 57.85 57.15 1urk n ARG 88 Cb 0.66 0.48 0.03 0.00 -0.00 0.00 0.00 32.46 33.63 1urk n ARG 88 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1urk n SER 89 N -0.87 7.46 0.00 2.89 7.64 -1.26 -4.14 113.62 125.34 1urk n SER 89 Ca -0.01 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 56.09 1urk n SER 89 Cb 0.12 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 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 -0.40 0.81 -0.10 6.43 8.00 -1.26 -4.77 116.55 125.27 1urk n ASP 90 Ca 0.53 0.00 0.24 0.00 0.71 0.00 0.00 54.79 56.27 1urk n ASP 90 Cb 0.25 0.07 0.43 0.00 -0.02 0.00 0.00 41.12 41.86 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 2.72 -0.91 2.24 0.00 -1.86 -1.95 119.26 119.51 1urk h ALA 91 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1urk h ALA 91 Cb 0.17 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1urk h ALA 91 CO 0.00 -1.50 0.00 1.47 0.00 0.00 0.00 179.25 179.22 1urk n LEU 92 N -3.20 0.01 -0.03 0.00 -0.00 -1.26 0.14 117.00 112.66 1urk n LEU 92 Ca 0.18 0.84 -0.05 0.00 -0.00 0.00 0.00 56.01 56.99 1urk n LEU 92 Cb 1.34 -0.35 0.17 0.00 -0.00 0.00 0.00 43.42 44.57 1urk n LEU 92 CO 0.21 -0.35 0.75 -0.61 -0.00 0.00 0.00 177.39 177.39 1urk h GLN 93 N 0.00 0.61 -0.01 1.47 -0.00 -1.74 -2.92 115.11 112.52 1urk h GLN 93 Ca 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 58.65 58.43 1urk h GLN 93 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.44 1urk h GLN 93 CO 0.00 0.77 -0.34 1.28 0.00 0.00 0.00 178.83 180.54 1urk n LEU 94 N -4.14 1.45 -3.83 -2.39 7.99 -0.91 -4.97 117.00 110.20 1urk n LEU 94 Ca 0.00 -0.47 -0.33 0.00 -0.01 0.00 0.00 56.01 55.20 1urk n LEU 94 Cb 0.39 -0.07 0.02 0.00 -0.11 0.00 0.00 43.42 43.65 1urk n LEU 94 CO 0.43 0.27 -0.14 0.61 -1.51 0.00 0.00 177.39 177.05 1urk n GLY 95 N 1.37 -1.06 0.00 -0.72 0.00 0.37 -4.96 105.19 100.19 1urk n GLY 95 Ca 0.11 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 -3.82 0.00 0.00 0.99 4.77 -1.17 -5.02 117.00 112.75 1urk n LEU 96 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1urk n LEU 96 Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1urk n LEU 96 CO 0.68 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1urk n GLY 97 N 5.00 0.41 3.55 -0.72 0.00 -1.25 -4.91 105.19 107.26 1urk n GLY 97 Ca 0.00 -2.25 -0.14 0.00 0.00 0.00 0.00 46.02 43.63 1urk n GLY 97 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1urk n LYS 98 N 0.00 0.42 -3.22 1.61 2.85 -1.26 -3.25 118.16 115.32 1urk n LYS 98 Ca 0.00 -0.94 0.00 0.00 -1.05 0.00 0.00 58.31 56.32 1urk n LYS 98 Cb 0.00 -3.51 0.00 0.00 -0.65 0.00 0.00 35.03 30.87 1urk n LYS 98 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1urk n HIS 99 N 17.83 0.00 -3.34 5.58 -0.00 -1.26 -4.96 115.22 129.08 1urk n HIS 99 Ca 0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 58.12 1urk n HIS 99 Cb 0.42 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.34 1urk n HIS 99 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1urk s ASN 100 N -0.48 -0.04 0.00 0.26 3.84 -1.26 -1.33 114.94 115.93 1urk s ASN 100 Ca 0.00 0.37 0.14 0.00 0.21 0.00 0.00 52.86 53.58 1urk s ASN 100 Cb 0.00 1.29 0.23 0.00 -0.55 0.00 0.00 41.25 42.22 1urk s ASN 100 CO 0.00 -0.29 1.05 -1.22 -2.79 0.00 0.00 177.10 173.86 1urk n TYR 101 N 5.38 0.00 -1.39 0.43 4.01 -1.26 -4.65 117.16 119.68 1urk n TYR 101 Ca -0.04 -0.33 0.13 0.00 -0.16 0.00 0.00 57.90 57.51 1urk n TYR 101 Cb 0.50 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.49 1urk n TYR 101 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1urk n ARG 103 N -3.12 -1.31 -2.69 0.00 3.00 -0.14 -4.93 116.66 107.48 1urk n ARG 103 Ca 0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.78 1urk n ARG 103 Cb 0.44 0.00 0.07 0.00 0.00 0.00 0.00 32.46 32.98 1urk n ARG 103 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1urk n ASN 104 N 0.00 -0.10 0.00 6.15 5.15 -1.26 -0.57 115.26 124.63 1urk n ASN 104 Ca 0.00 -2.53 0.08 0.00 -0.60 0.00 0.00 54.58 51.53 1urk n ASN 104 Cb 0.00 0.18 0.45 0.00 -0.53 0.00 0.00 39.78 39.88 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 -0.40 0.32 0.00 1.20 -0.04 -1.26 -4.66 135.00 130.15 1urk n PRO 105 Ca 0.02 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1urk n PRO 105 Cb 0.83 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 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 -1.21 0.00 -3.83 3.54 2.03 -1.26 -5.05 116.55 110.77 1urk n ASP 106 Ca 0.09 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.11 1urk n ASP 106 Cb 0.11 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.38 1urk n ASP 106 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1urk s ASN 107 N -1.00 4.04 0.19 1.67 0.01 -1.26 -5.08 114.94 113.51 1urk s ASN 107 Ca 0.00 -3.02 -0.03 0.00 -0.71 0.00 0.00 52.86 49.10 1urk s ASN 107 Cb 0.00 -1.37 -0.03 0.00 0.41 0.00 0.00 41.25 40.25 1urk s ASN 107 CO 0.00 -0.22 0.18 -0.13 -1.51 0.00 0.00 177.10 175.42 1urk s ARG 108 N -0.25 1.20 0.07 -0.60 0.52 -1.26 -5.05 118.95 113.58 1urk s ARG 108 Ca 0.19 -1.51 0.20 0.00 -0.52 0.00 0.00 55.73 54.09 1urk s ARG 108 Cb -0.20 0.30 -0.14 0.00 0.52 0.00 0.00 34.95 35.42 1urk s ARG 108 CO -0.04 -0.41 0.76 -2.13 0.02 0.00 0.00 175.30 173.51 1urk n ARG 109 N -0.25 0.63 -4.36 3.54 0.63 -1.26 -4.93 116.66 110.66 1urk n ARG 109 Ca -0.00 0.06 -0.22 0.00 -0.92 0.00 0.00 57.85 56.77 1urk n ARG 109 Cb 0.65 -1.72 -0.11 0.00 0.45 0.00 0.00 32.46 31.73 1urk n ARG 109 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1urk s ARG 110 N -3.21 1.35 -0.09 -0.14 0.52 -1.26 -3.60 118.95 112.52 1urk s ARG 110 Ca -0.04 -1.49 -0.30 0.00 -0.52 0.00 0.00 55.73 53.39 1urk s ARG 110 Cb 0.10 -1.41 -0.04 0.00 0.52 0.00 0.00 34.95 34.13 1urk s ARG 110 CO 0.83 0.28 1.43 -1.25 0.02 0.00 0.00 175.30 176.61 1urk s PRO 111 N -2.98 4.22 0.20 3.54 0.04 -1.25 -4.82 135.00 133.96 1urk s PRO 111 Ca 0.19 1.91 0.08 0.00 0.04 0.00 0.00 61.00 63.22 1urk s PRO 111 Cb -0.05 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 1urk s PRO 111 CO 0.08 -0.73 -0.01 1.67 0.04 0.00 0.00 177.00 178.05 1urk s TRP 112 N 3.49 2.80 0.11 0.56 1.48 0.27 0.13 118.94 127.77 1urk s TRP 112 Ca 0.63 -0.17 0.06 0.00 -1.06 0.00 0.00 56.10 55.56 1urk s TRP 112 Cb -0.28 -1.33 -0.04 0.00 -1.16 0.00 0.00 33.47 30.67 1urk s TRP 112 CO 0.22 0.54 -0.14 0.00 -4.06 0.00 0.00 176.95 173.51 1urk s TYR 114 N -1.91 2.00 -0.13 0.00 2.02 -1.26 -2.11 117.35 115.95 1urk s TYR 114 Ca 0.06 0.31 -0.06 0.00 -0.37 0.00 0.00 57.07 57.01 1urk s TYR 114 Cb -0.06 -4.09 -0.04 0.00 -0.40 0.00 0.00 41.96 37.37 1urk s TYR 114 CO 0.03 -1.41 0.07 0.54 -1.57 0.00 0.00 175.55 173.20 1urk s VAL 115 N 10.08 4.90 0.05 0.71 0.11 -0.36 -1.63 120.40 134.26 1urk s VAL 115 Ca 0.67 -0.01 -0.30 0.00 -2.93 0.00 0.00 61.98 59.40 1urk s VAL 115 Cb -0.02 -3.14 -0.08 0.00 -1.53 0.00 0.00 36.38 31.60 1urk s VAL 115 CO 0.08 0.55 1.77 -1.10 -3.33 0.00 0.00 175.10 173.08 1urk s GLN 116 N -0.44 4.17 -0.21 1.54 -0.21 -1.26 -0.54 119.66 122.70 1urk s GLN 116 Ca 0.10 2.44 0.13 0.00 0.02 0.00 0.00 55.36 58.05 1urk s GLN 116 Cb -0.12 -3.80 0.76 0.00 1.00 0.00 0.00 33.01 30.85 1urk s GLN 116 CO 0.02 -0.83 1.65 0.28 -2.12 0.00 0.00 175.29 174.29 1urk n VAL 117 N 5.05 2.50 0.00 1.09 0.31 -1.09 -4.86 118.33 121.34 1urk n VAL 117 Ca 0.18 -1.28 0.00 0.00 -0.01 0.00 0.00 64.34 63.23 1urk n VAL 117 Cb 0.40 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 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 0.61 3.54 0.00 2.92 0.00 -1.26 -4.78 105.19 106.22 1urk n GLY 118 Ca 0.26 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.71 0.99 -0.00 -1.26 -5.08 117.00 107.94 1urk n LEU 119 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 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 0.00 0.20 -0.71 1.47 1.02 -1.26 -5.07 119.74 115.39 1urk s LYS 120 Ca 0.00 0.58 -0.25 0.00 0.02 0.00 0.00 55.97 56.33 1urk s LYS 120 Cb 0.00 -0.10 -0.14 0.00 -0.52 0.00 0.00 37.83 37.07 1urk s LYS 120 CO 0.00 -0.19 2.42 -2.30 -0.92 0.00 0.00 175.35 174.37 1urk n PRO 121 N 4.44 0.63 -3.56 -1.68 -0.02 -1.26 -2.66 135.00 130.89 1urk n PRO 121 Ca -0.22 -0.32 -0.34 0.00 -2.02 0.00 0.00 63.50 60.60 1urk n PRO 121 Cb 0.52 -3.07 -0.05 0.00 -0.02 0.00 0.00 33.50 30.88 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 11.60 4.34 -0.69 2.45 1.98 0.30 -4.63 118.68 134.02 1urk s LEU 122 Ca 1.04 0.80 -0.27 0.00 -2.89 0.00 0.00 54.13 52.81 1urk s LEU 122 Cb -0.35 -3.04 0.03 0.00 0.66 0.00 0.00 46.19 43.50 1urk s LEU 122 CO 0.25 0.16 1.22 0.68 -1.89 0.00 0.00 176.35 176.77 1urk s VAL 123 N -1.43 3.86 -0.24 1.68 -7.23 -1.25 -1.23 120.40 114.56 1urk s VAL 123 Ca 0.34 0.44 -0.14 0.00 -1.81 0.00 0.00 61.98 60.81 1urk s VAL 123 Cb -0.14 -4.85 -0.04 0.00 0.56 0.00 0.00 36.38 31.91 1urk s VAL 123 CO 0.19 -1.69 0.32 -1.10 -0.31 0.00 0.00 175.10 172.50 1urk s GLN 124 N 5.37 4.07 -0.86 4.82 1.11 -0.90 -4.67 119.66 128.61 1urk s GLN 124 Ca 0.35 -0.01 -0.20 0.00 0.01 0.00 0.00 55.36 55.51 1urk s GLN 124 Cb -0.09 -3.60 -0.22 0.00 -1.01 0.00 0.00 33.01 28.10 1urk s GLN 124 CO 0.17 -0.13 2.33 0.39 0.01 0.00 0.00 175.29 178.06 1urk n GLU 125 N 4.83 0.35 -1.44 2.91 1.02 -1.26 -2.27 120.64 124.79 1urk n GLU 125 Ca -0.10 -0.45 -0.36 0.00 -0.02 0.00 0.00 57.16 56.23 1urk n GLU 125 Cb 0.51 -2.58 -0.16 0.00 -0.02 0.00 0.00 31.44 29.20 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 7.56 -0.69 -2.33 0.00 0.00 -1.18 -4.78 117.12 115.70 1urk n MET 127 Ca 0.64 -0.19 -0.03 0.00 0.00 0.00 0.00 57.70 58.11 1urk n MET 127 Cb 0.05 -1.29 0.02 0.00 0.00 0.00 0.00 33.22 32.01 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 -3.90 0.00 -0.05 3.17 3.14 -1.26 -4.84 118.33 114.59 1urk n VAL 128 Ca -0.01 -0.61 0.00 0.00 -2.96 0.00 0.00 64.34 60.76 1urk n VAL 128 Cb 0.70 0.66 0.00 0.00 -1.06 0.00 0.00 33.84 34.14 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 -0.52 0.00 -2.66 1.45 -0.00 -1.26 -4.88 115.22 107.35 1urk n HIS 129 Ca -0.16 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.10 1urk n HIS 129 Cb 0.66 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.51 1urk n HIS 129 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1urk n ASP 130 N 0.00 -5.92 -0.46 0.26 2.03 -1.26 -4.88 116.55 106.32 1urk n ASP 130 Ca 0.00 0.62 -0.04 0.00 0.52 0.00 0.00 54.79 55.89 1urk n ASP 130 Cb 0.00 -1.79 -0.01 0.00 -0.72 0.00 0.00 41.12 38.61 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 -0.62 0.00 -3.00 0.00 0.00 -1.26 -4.66 120.51 110.97 1urk n ALA 132 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1urk n ALA 132 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.73 0.00 -2.22 0.00 2.03 -1.26 -4.99 116.55 109.38 1urk n ASP 133 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 1urk n ASP 133 Cb 0.00 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 1urk n ASP 133 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1urk n GLY 134 N 3.30 0.01 1.88 0.27 0.00 -1.26 -4.62 105.19 104.78 1urk n GLY 134 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1urk n GLY 134 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90