#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yub h ASN 2 N 0.00 0.01 0.00 6.12 -1.24 -2.12 -3.44 115.58 114.91 1yub h ASN 2 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1yub h ASN 2 Cb 0.00 0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.06 1yub h ASN 2 CO 0.00 -0.01 0.00 2.29 -1.29 0.00 0.00 177.43 178.42 1yub n LYS 3 N -4.07 0.00 0.00 6.67 2.85 -1.26 -4.78 118.16 117.58 1yub n LYS 3 Ca 0.37 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.63 1yub n LYS 3 Cb 1.69 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 36.07 1yub n LYS 3 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1yub n ASN 4 N -3.72 0.00 -2.62 -5.58 3.02 -1.26 -5.05 115.26 100.04 1yub n ASN 4 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 1yub n ASN 4 Cb 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 1yub n ASN 4 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1yub n ILE 5 N 0.00 1.30 -2.38 2.41 2.08 -1.26 -4.90 119.36 116.62 1yub n ILE 5 Ca 0.00 -3.49 -0.30 0.00 0.56 0.00 0.00 62.75 59.52 1yub n ILE 5 Cb 0.00 0.22 0.01 0.00 -0.75 0.00 0.00 39.64 39.12 1yub n ILE 5 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1yub n LYS 6 N -0.15 3.30 0.00 0.38 2.85 -1.26 -5.01 118.16 118.26 1yub n LYS 6 Ca 0.16 -4.31 0.00 0.00 -1.05 0.00 0.00 58.31 53.11 1yub n LYS 6 Cb 0.78 -2.26 0.00 0.00 -0.65 0.00 0.00 35.03 32.91 1yub n LYS 6 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1yub n TYR 7 N -0.48 0.00 -3.39 5.58 4.01 -1.26 -5.09 117.16 116.53 1yub n TYR 7 Ca 0.42 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.90 1yub n TYR 7 Cb 0.55 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.50 1yub n TYR 7 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1yub n SER 8 N 0.00 2.31 -4.24 7.72 7.64 -1.26 -5.07 113.62 120.71 1yub n SER 8 Ca 0.00 -3.12 -0.26 0.00 1.01 0.00 0.00 58.87 56.50 1yub n SER 8 Cb 0.00 -0.66 -0.14 0.00 -1.01 0.00 0.00 64.21 62.40 1yub n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yub s GLN 9 N -1.83 1.41 -0.08 1.43 -2.07 -1.26 -5.14 119.66 112.13 1yub s GLN 9 Ca 0.37 -0.91 -0.05 0.00 -1.82 0.00 0.00 55.36 52.95 1yub s GLN 9 Cb 0.13 -1.51 0.04 0.00 -1.09 0.00 0.00 33.01 30.58 1yub s GLN 9 CO -0.07 0.39 0.19 0.54 -1.32 0.00 0.00 175.29 175.02 1yub s ASN 10 N -1.09 -0.19 0.03 12.60 2.20 -1.26 -3.63 114.94 123.59 1yub s ASN 10 Ca 0.07 0.40 -0.03 0.00 -0.94 0.00 0.00 52.86 52.37 1yub s ASN 10 Cb -0.09 0.32 -0.02 0.00 -2.00 0.00 0.00 41.25 39.47 1yub s ASN 10 CO 0.01 -0.13 0.03 -0.36 -2.94 0.00 0.00 177.10 173.71 1yub s PHE 11 N 0.91 0.25 0.15 1.54 0.08 -0.04 -4.89 117.98 115.96 1yub s PHE 11 Ca -0.07 -0.53 0.05 0.00 0.12 0.00 0.00 56.93 56.50 1yub s PHE 11 Cb -0.08 -0.18 -0.09 0.00 -0.57 0.00 0.00 43.02 42.10 1yub s PHE 11 CO -0.05 -0.27 1.34 1.25 -0.10 0.00 0.00 175.22 177.38 1yub h LEU 12 N 4.15 0.11 -1.37 -0.37 6.46 -1.83 -0.28 115.31 122.17 1yub h LEU 12 Ca -0.32 -0.10 -0.15 0.00 -0.12 0.00 0.00 57.88 57.19 1yub h LEU 12 Cb 1.19 -0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 41.01 1yub h LEU 12 CO 0.46 0.98 -0.23 1.07 -0.62 0.00 0.00 178.44 180.11 1yub n THR 13 N -3.51 -0.08 -1.80 1.05 5.66 -1.21 -3.58 114.28 110.81 1yub n THR 13 Ca -0.02 -0.04 -0.15 0.00 -3.05 0.00 0.00 64.05 60.79 1yub n THR 13 Cb 0.87 -0.16 0.09 0.00 -1.55 0.00 0.00 70.33 69.58 1yub n THR 13 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1yub n SER 14 N -0.16 4.09 0.07 1.09 2.88 -1.26 -4.70 113.62 115.62 1yub n SER 14 Ca -0.01 -3.80 0.08 0.00 -1.33 0.00 0.00 58.87 53.82 1yub n SER 14 Cb 0.13 -0.47 0.37 0.00 -0.75 0.00 0.00 64.21 63.49 1yub n SER 14 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1yub n GLU 15 N -0.87 0.09 -0.08 -1.46 1.02 -1.26 -2.46 120.64 115.61 1yub n GLU 15 Ca 0.38 0.39 -0.17 0.00 -0.02 0.00 0.00 57.16 57.74 1yub n GLU 15 Cb 0.89 -1.69 -0.13 0.00 -0.02 0.00 0.00 31.44 30.49 1yub n GLU 15 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1yub n LYS 16 N -1.87 0.68 0.15 3.49 -0.00 -1.26 -3.50 118.16 115.86 1yub n LYS 16 Ca 0.02 0.17 -0.07 0.00 -0.00 0.00 0.00 58.31 58.43 1yub n LYS 16 Cb 0.16 -1.58 -0.03 0.00 -0.00 0.00 0.00 35.03 33.57 1yub n LYS 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1yub h VAL 17 N 0.02 0.00 -0.81 0.58 2.07 -1.85 -0.95 116.25 115.30 1yub h VAL 17 Ca -0.52 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 1yub h VAL 17 Cb 1.99 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 1yub h VAL 17 CO -0.02 0.00 0.37 -0.07 0.02 0.00 0.00 177.57 177.87 1yub h LEU 18 N -0.71 1.08 -1.19 2.57 -0.00 -1.74 -0.12 115.31 115.20 1yub h LEU 18 Ca -0.04 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.69 1yub h LEU 18 Cb 0.33 -0.28 0.00 0.00 -0.00 0.00 0.00 40.66 40.71 1yub h LEU 18 CO 0.07 0.93 0.00 -1.13 -0.00 0.00 0.00 178.44 178.31 1yub h ASN 19 N 1.16 0.00 0.20 -0.43 -1.24 -1.65 -2.87 115.58 110.76 1yub h ASN 19 Ca 0.28 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.28 1yub h ASN 19 Cb 0.15 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.20 1yub h ASN 19 CO -0.03 0.00 -0.09 -0.61 -1.29 0.00 0.00 177.43 175.40 1yub h GLN 20 N 0.00 -0.25 -0.90 6.67 5.75 0.43 -2.06 115.11 124.75 1yub h GLN 20 Ca 0.00 0.02 0.18 0.00 -0.15 0.00 0.00 58.65 58.69 1yub h GLN 20 Cb 0.27 0.06 -0.10 0.00 1.07 0.00 0.00 27.48 28.77 1yub h GLN 20 CO 0.00 -0.17 0.47 0.97 -2.65 0.00 0.00 178.83 177.45 1yub h ILE 21 N -0.80 0.66 0.00 2.39 -0.00 -1.45 0.34 117.51 118.65 1yub h ILE 21 Ca -0.03 -0.21 -0.10 0.00 -0.00 0.00 0.00 64.86 64.53 1yub h ILE 21 Cb 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 36.82 37.01 1yub h ILE 21 CO 0.04 0.11 -0.46 0.16 -0.00 0.00 0.00 178.15 178.00 1yub h ILE 22 N 0.60 1.31 0.00 2.19 -0.00 -1.60 -1.97 117.51 118.05 1yub h ILE 22 Ca 0.52 -1.59 0.00 0.00 -0.00 0.00 0.00 64.86 63.79 1yub h ILE 22 Cb 0.82 1.86 0.00 0.00 -0.00 0.00 0.00 36.82 39.50 1yub h ILE 22 CO -0.41 0.45 -0.27 0.29 -0.00 0.00 0.00 178.15 178.22 1yub n LYS 23 N -3.96 0.18 0.02 0.16 5.02 0.86 -3.41 118.16 117.03 1yub n LYS 23 Ca -0.02 0.10 0.11 0.00 -2.02 0.00 0.00 58.31 56.48 1yub n LYS 23 Cb 0.49 -1.66 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 1yub n LYS 23 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1yub n GLN 24 N -1.94 0.37 -0.32 1.97 1.13 0.70 -4.29 117.38 114.99 1yub n GLN 24 Ca 0.05 -0.03 0.21 0.00 -1.94 0.00 0.00 57.00 55.29 1yub n GLN 24 Cb 0.40 -1.59 0.41 0.00 0.11 0.00 0.00 30.24 29.57 1yub n GLN 24 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1yub h LEU 25 N 0.00 0.12 -2.86 1.08 3.38 -1.39 -3.46 115.31 112.18 1yub h LEU 25 Ca 0.00 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1yub h LEU 25 Cb 0.79 0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1yub h LEU 25 CO 0.00 -0.26 -0.70 0.59 0.09 0.00 0.00 178.44 178.16 1yub n ASN 26 N -5.24 -5.92 -4.05 -0.43 4.13 -1.26 -4.99 115.26 97.50 1yub n ASN 26 Ca 0.29 0.96 -0.14 0.00 1.68 0.00 0.00 54.58 57.36 1yub n ASN 26 Cb 0.93 -2.77 0.04 0.00 -1.54 0.00 0.00 39.78 36.44 1yub n ASN 26 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1yub n LEU 27 N 1.85 0.00 0.00 3.41 4.77 -1.26 -5.09 117.00 120.67 1yub n LEU 27 Ca -0.09 -1.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.09 1yub n LEU 27 Cb 0.26 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1yub n LEU 27 CO 0.14 -0.62 0.00 0.29 -1.33 0.00 0.00 177.39 175.87 1yub n LYS 28 N -1.80 0.00 0.00 3.23 4.76 -1.26 -4.98 118.16 118.11 1yub n LYS 28 Ca 0.09 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 1yub n LYS 28 Cb 0.42 -0.48 0.00 0.00 -1.84 0.00 0.00 35.03 33.14 1yub n LYS 28 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1yub n GLU 29 N -1.77 0.00 -0.05 1.97 2.13 -1.26 -4.86 120.64 116.80 1yub n GLU 29 Ca 0.00 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.85 1yub n GLU 29 Cb 0.00 0.00 0.13 0.00 0.27 0.00 0.00 31.44 31.84 1yub n GLU 29 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1yub n THR 30 N 0.00 0.14 -3.72 6.31 -2.24 -1.26 -3.94 114.28 109.58 1yub n THR 30 Ca 0.00 -0.15 -0.38 0.00 -2.27 0.00 0.00 64.05 61.25 1yub n THR 30 Cb 0.00 0.05 -0.11 0.00 -2.10 0.00 0.00 70.33 68.17 1yub n THR 30 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1yub s ASP 31 N -1.11 5.38 0.94 3.42 1.01 -1.24 -2.50 116.67 122.57 1yub s ASP 31 Ca 0.12 -1.56 -0.19 0.00 0.71 0.00 0.00 52.55 51.62 1yub s ASP 31 Cb 0.06 -1.89 -0.06 0.00 1.01 0.00 0.00 42.92 42.04 1yub s ASP 31 CO 0.09 -0.47 -0.75 0.41 0.21 0.00 0.00 175.17 174.65 1yub n THR 32 N 4.77 0.00 -3.60 -1.27 -1.04 -0.60 -4.05 114.28 108.50 1yub n THR 32 Ca -0.09 -0.06 -0.28 0.00 -2.04 0.00 0.00 64.05 61.57 1yub n THR 32 Cb 0.43 -0.18 -0.12 0.00 -1.82 0.00 0.00 70.33 68.64 1yub n THR 32 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1yub s VAL 33 N -2.05 1.09 0.24 12.58 -7.23 -0.38 0.44 120.40 125.09 1yub s VAL 33 Ca 0.34 -2.73 -0.11 0.00 -1.81 0.00 0.00 61.98 57.67 1yub s VAL 33 Cb 0.03 -1.75 -0.08 0.00 0.56 0.00 0.00 36.38 35.14 1yub s VAL 33 CO 0.50 -1.04 0.58 -0.31 -0.31 0.00 0.00 175.10 174.53 1yub s TYR 34 N 0.08 3.42 -0.40 2.82 2.02 -0.29 -4.23 117.35 120.76 1yub s TYR 34 Ca 0.24 0.95 0.01 0.00 -0.37 0.00 0.00 57.07 57.90 1yub s TYR 34 Cb -0.12 -2.32 0.14 0.00 -0.40 0.00 0.00 41.96 39.27 1yub s TYR 34 CO -0.09 0.24 0.25 -1.83 -1.57 0.00 0.00 175.55 172.55 1yub s GLU 35 N -2.81 0.94 0.44 -0.62 4.04 -1.26 -0.31 118.70 119.13 1yub s GLU 35 Ca 0.48 -1.75 -0.03 0.00 0.04 0.00 0.00 54.97 53.71 1yub s GLU 35 Cb -0.11 -1.79 -0.03 0.00 0.02 0.00 0.00 34.13 32.22 1yub s GLU 35 CO 0.20 -1.22 0.70 -1.50 -1.84 0.00 0.00 175.26 171.61 1yub s ILE 36 N 0.59 4.76 0.00 1.83 2.07 -1.26 -4.36 121.20 124.83 1yub s ILE 36 Ca 0.20 -0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.30 1yub s ILE 36 Cb -0.20 -3.78 0.00 0.00 0.13 0.00 0.00 42.46 38.61 1yub s ILE 36 CO -0.02 -0.65 0.00 0.61 -1.91 0.00 0.00 174.94 172.96 1yub n GLY 37 N -2.10 0.52 0.00 1.50 0.00 -1.26 -1.52 105.19 102.33 1yub n GLY 37 Ca -0.01 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1yub n GLY 37 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yub n THR 38 N 0.00 0.00 -3.56 2.61 -2.24 -1.26 -4.86 114.28 104.97 1yub n THR 38 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1yub n THR 38 Cb 0.00 -0.01 -0.14 0.00 -2.10 0.00 0.00 70.33 68.08 1yub n THR 38 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1yub s GLY 39 N -0.01 0.72 -0.02 3.38 0.00 -1.26 -4.83 107.32 105.30 1yub s GLY 39 Ca 0.00 -1.43 -0.00 0.00 0.00 0.00 0.00 44.72 43.29 1yub s GLY 39 CO 0.00 1.98 0.05 1.70 0.00 0.00 0.00 173.10 176.83 1yub h LYS 40 N 7.96 -0.01 0.00 2.90 1.63 -1.99 -3.50 116.57 123.56 1yub h LYS 40 Ca -0.12 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1yub h LYS 40 Cb 1.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.63 1yub h LYS 40 CO 0.41 -0.01 0.00 0.41 -3.45 0.00 0.00 179.45 176.81 1yub n GLY 41 N 1.82 0.26 2.65 5.01 0.00 -1.26 -5.09 105.19 108.58 1yub n GLY 41 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1yub n GLY 41 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1yub n HIS 42 N 0.00 -0.10 -1.97 1.61 -0.00 -1.26 -5.16 115.22 108.33 1yub n HIS 42 Ca 0.00 -0.54 0.00 0.00 -0.00 0.00 0.00 57.72 57.18 1yub n HIS 42 Cb 0.00 1.05 0.00 0.00 -0.00 0.00 0.00 29.99 31.04 1yub n HIS 42 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1yub n LEU 43 N 1.21 0.00 0.00 0.27 0.00 -1.26 -5.02 117.00 112.21 1yub n LEU 43 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.99 1yub n LEU 43 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.15 1yub n LEU 43 CO -0.15 0.00 0.00 0.41 0.00 0.00 0.00 177.39 177.65 1yub n THR 44 N 2.32 0.00 -0.22 1.96 -1.04 -1.26 -4.27 114.28 111.77 1yub n THR 44 Ca 0.00 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.10 1yub n THR 44 Cb 0.00 0.00 0.37 0.00 -1.82 0.00 0.00 70.33 68.88 1yub n THR 44 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1yub h THR 45 N 0.00 0.94 0.03 12.58 1.35 -1.96 -0.33 112.91 125.52 1yub h THR 45 Ca 0.00 -0.25 -0.24 0.00 -0.55 0.00 0.00 66.41 65.38 1yub h THR 45 Cb 0.00 0.16 0.02 0.00 -1.73 0.00 0.00 68.15 66.60 1yub h THR 45 CO 0.00 0.13 -0.95 0.11 -0.25 0.00 0.00 175.52 174.56 1yub h LYS 46 N 0.72 0.59 -0.27 4.72 1.57 -1.97 -3.04 116.57 118.89 1yub h LYS 46 Ca 0.37 -0.68 0.08 0.00 -1.87 0.00 0.00 60.65 58.55 1yub h LYS 46 Cb 0.48 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1yub h LYS 46 CO -0.14 1.27 0.24 1.25 -0.57 0.00 0.00 179.45 181.51 1yub h LEU 47 N 0.20 0.00 -0.57 2.94 5.85 -1.51 0.11 115.31 122.32 1yub h LEU 47 Ca -0.13 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.44 1yub h LEU 47 Cb 1.63 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 1yub h LEU 47 CO 0.19 0.00 -0.58 0.00 -0.34 0.00 0.00 178.44 177.71 1yub h ALA 48 N 1.77 0.75 -0.60 1.25 0.00 -1.00 -2.82 119.26 118.62 1yub h ALA 48 Ca 0.13 -0.53 0.17 0.00 0.00 0.00 0.00 54.91 54.69 1yub h ALA 48 Cb 0.61 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1yub h ALA 48 CO -0.00 0.70 0.74 -0.22 0.00 0.00 0.00 179.25 180.47 1yub h LYS 49 N 0.32 0.00 0.04 0.00 1.63 -0.78 -1.93 116.57 115.86 1yub h LYS 49 Ca -0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1yub h LYS 49 Cb 1.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1yub h LYS 49 CO 0.10 0.00 -0.02 0.82 -3.45 0.00 0.00 179.45 176.90 1yub h ILE 50 N 0.00 0.00 -2.85 2.00 2.04 -1.60 -3.47 117.51 113.64 1yub h ILE 50 Ca 0.29 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 66.04 1yub h ILE 50 Cb 1.76 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1yub h ILE 50 CO -0.00 0.00 0.00 -0.24 0.00 0.00 0.00 178.15 177.91 1yub n SER 51 N -2.43 0.00 -0.53 1.72 2.88 -0.72 -4.76 113.62 109.77 1yub n SER 51 Ca -0.01 -0.83 0.07 0.00 -1.33 0.00 0.00 58.87 56.76 1yub n SER 51 Cb 0.02 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 63.68 1yub n SER 51 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1yub n LYS 52 N -0.83 1.51 -3.44 -1.46 4.81 -1.25 -4.84 118.16 112.65 1yub n LYS 52 Ca 0.00 -3.16 -0.21 0.00 -0.87 0.00 0.00 58.31 54.07 1yub n LYS 52 Cb 0.00 -1.57 -0.11 0.00 0.02 0.00 0.00 35.03 33.37 1yub n LYS 52 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1yub s GLN 53 N -3.11 0.37 0.10 1.64 -0.21 -1.26 -2.65 119.66 114.53 1yub s GLN 53 Ca 0.37 -0.49 0.09 0.00 0.02 0.00 0.00 55.36 55.35 1yub s GLN 53 Cb 0.35 -0.86 -0.04 0.00 1.00 0.00 0.00 33.01 33.46 1yub s GLN 53 CO -0.06 -1.08 -0.21 0.54 -2.12 0.00 0.00 175.29 172.37 1yub s VAL 54 N 2.00 2.62 -0.28 1.09 0.11 0.19 -1.24 120.40 124.89 1yub s VAL 54 Ca 0.11 -1.50 -0.17 0.00 -2.93 0.00 0.00 61.98 57.49 1yub s VAL 54 Cb -0.16 -2.16 0.10 0.00 -1.53 0.00 0.00 36.38 32.63 1yub s VAL 54 CO -0.25 0.16 0.79 -0.89 -3.33 0.00 0.00 175.10 171.58 1yub s THR 55 N -1.05 0.00 0.15 5.04 2.01 -1.26 -2.50 115.64 118.02 1yub s THR 55 Ca 0.16 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.97 1yub s THR 55 Cb -0.10 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.33 1yub s THR 55 CO 0.07 0.00 0.63 -0.55 -0.69 0.00 0.00 174.62 174.08 1yub s SER 56 N 1.38 7.03 -0.01 3.53 0.15 -0.96 -4.32 113.70 120.50 1yub s SER 56 Ca -0.08 1.30 0.15 0.00 0.70 0.00 0.00 55.95 58.01 1yub s SER 56 Cb -0.05 -2.37 -0.20 0.00 -1.71 0.00 0.00 66.02 61.69 1yub s SER 56 CO -0.16 0.15 0.45 -0.38 1.20 0.00 0.00 173.24 174.50 1yub n ILE 57 N 1.17 0.00 -4.09 6.45 2.08 -1.26 -2.60 119.36 121.10 1yub n ILE 57 Ca -0.06 -0.26 -0.10 0.00 0.56 0.00 0.00 62.75 62.89 1yub n ILE 57 Cb 0.51 0.52 -0.10 0.00 -0.75 0.00 0.00 39.64 39.81 1yub n ILE 57 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1yub s GLU 58 N -2.74 0.62 0.58 0.38 -6.30 -1.26 -4.80 118.70 105.18 1yub s GLU 58 Ca -0.01 -1.07 0.00 0.00 -2.50 0.00 0.00 54.97 51.39 1yub s GLU 58 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 34.13 34.19 1yub s GLU 58 CO 0.60 -0.04 0.00 -0.11 0.02 0.00 0.00 175.26 175.74 1yub n LEU 59 N 0.56 -1.18 -1.56 2.70 -0.00 -1.26 -4.65 117.00 111.61 1yub n LEU 59 Ca -0.17 2.42 -0.13 0.00 -0.00 0.00 0.00 56.01 58.14 1yub n LEU 59 Cb 0.59 -3.03 0.16 0.00 -0.00 0.00 0.00 43.42 41.14 1yub n LEU 59 CO 0.26 -1.58 0.80 -0.67 -0.00 0.00 0.00 177.39 176.20 1yub n ASP 60 N -3.71 3.50 -1.13 1.96 2.03 -1.26 -4.55 116.55 113.39 1yub n ASP 60 Ca -0.06 -3.77 0.07 0.00 0.52 0.00 0.00 54.79 51.56 1yub n ASP 60 Cb 0.58 -0.67 0.25 0.00 -0.72 0.00 0.00 41.12 40.56 1yub n ASP 60 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1yub n SER 61 N -1.06 3.28 -4.63 1.67 7.64 -1.26 -4.83 113.62 114.42 1yub n SER 61 Ca 0.42 -2.21 -0.25 0.00 1.01 0.00 0.00 58.87 57.84 1yub n SER 61 Cb 1.09 -0.44 -0.09 0.00 -1.01 0.00 0.00 64.21 63.76 1yub n SER 61 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1yub s HIS 62 N -1.60 2.54 0.00 1.43 3.76 -1.26 -4.21 115.29 115.94 1yub s HIS 62 Ca 0.36 -0.48 0.00 0.00 -0.15 0.00 0.00 55.06 54.79 1yub s HIS 62 Cb 0.22 -1.55 0.00 0.00 1.11 0.00 0.00 32.58 32.36 1yub s HIS 62 CO 0.20 0.46 0.00 -0.11 -0.85 0.00 0.00 174.74 174.43 1yub n LEU 63 N -0.97 0.00 0.00 0.89 -0.00 -1.26 -4.08 117.00 111.58 1yub n LEU 63 Ca -0.04 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.09 1yub n LEU 63 Cb 0.63 0.00 0.60 0.00 -0.00 0.00 0.00 43.42 44.65 1yub n LEU 63 CO 0.44 0.00 0.92 0.49 -0.00 0.00 0.00 177.39 179.24 1yub n PHE 64 N 0.00 0.00 -0.08 1.96 3.72 -1.26 -3.22 117.46 118.57 1yub n PHE 64 Ca 0.00 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.24 1yub n PHE 64 Cb 0.00 -0.37 -0.13 0.00 -0.94 0.00 0.00 39.48 38.03 1yub n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1yub n ASN 65 N -1.37 1.53 -4.37 4.37 2.85 -1.26 -4.89 115.26 112.13 1yub n ASN 65 Ca 0.10 0.01 -0.57 0.00 -0.11 0.00 0.00 54.58 54.01 1yub n ASN 65 Cb 0.24 -0.21 -0.10 0.00 1.24 0.00 0.00 39.78 40.96 1yub n ASN 65 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1yub n LEU 66 N -3.19 1.39 -4.52 1.20 0.00 -1.20 -4.65 117.00 106.02 1yub n LEU 66 Ca -0.38 0.61 -0.15 0.00 0.00 0.00 0.00 56.01 56.10 1yub n LEU 66 Cb 1.04 -1.05 -0.11 0.00 0.00 0.00 0.00 43.42 43.30 1yub n LEU 66 CO 0.35 -0.74 1.40 -1.20 0.00 0.00 0.00 177.39 177.20 1yub n SER 67 N 8.19 0.80 -3.04 1.96 7.64 -1.26 -4.05 113.62 123.86 1yub n SER 67 Ca 0.47 -1.36 0.00 0.00 1.01 0.00 0.00 58.87 58.99 1yub n SER 67 Cb 0.07 -1.35 0.00 0.00 -1.01 0.00 0.00 64.21 61.92 1yub n SER 67 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1yub n SER 68 N 15.10 -7.09 -4.35 6.43 7.64 -1.26 -4.41 113.62 125.68 1yub n SER 68 Ca 0.50 0.74 -0.59 0.00 1.01 0.00 0.00 58.87 60.53 1yub n SER 68 Cb 0.37 -1.51 -0.11 0.00 -1.01 0.00 0.00 64.21 61.95 1yub n SER 68 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1yub n GLU 69 N 2.06 0.24 0.05 1.43 2.13 -1.26 -4.68 120.64 120.61 1yub n GLU 69 Ca 0.00 0.07 0.04 0.00 0.66 0.00 0.00 57.16 57.93 1yub n GLU 69 Cb 0.17 -1.70 0.20 0.00 0.27 0.00 0.00 31.44 30.39 1yub n GLU 69 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1yub n LYS 70 N 7.25 0.05 -0.27 5.31 3.00 -1.26 -2.08 118.16 130.15 1yub n LYS 70 Ca 0.49 0.54 -0.02 0.00 -0.00 0.00 0.00 58.31 59.33 1yub n LYS 70 Cb 0.01 -1.65 0.01 0.00 0.00 0.00 0.00 35.03 33.40 1yub n LYS 70 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1yub n LEU 71 N -1.75 4.16 -0.16 3.14 4.32 -1.26 -4.68 117.00 120.77 1yub n LEU 71 Ca -0.00 -2.01 -0.02 0.00 -0.02 0.00 0.00 56.01 53.96 1yub n LEU 71 Cb 0.01 -0.76 -0.01 0.00 -1.62 0.00 0.00 43.42 41.05 1yub n LEU 71 CO 0.03 0.74 -0.02 1.17 -1.22 0.00 0.00 177.39 178.09 1yub n LYS 72 N 0.75 -1.57 -3.73 3.23 3.00 -0.94 -3.47 118.16 115.42 1yub n LYS 72 Ca 0.05 0.49 -0.27 0.00 -0.00 0.00 0.00 58.31 58.57 1yub n LYS 72 Cb 0.56 -4.70 0.01 0.00 0.00 0.00 0.00 35.03 30.89 1yub n LYS 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1yub n LEU 73 N -0.23 -0.85 -1.45 3.14 7.94 -0.88 -4.82 117.00 119.84 1yub n LEU 73 Ca -0.02 -0.88 -0.03 0.00 -1.11 0.00 0.00 56.01 53.97 1yub n LEU 73 Cb 0.42 -1.24 -0.01 0.00 0.53 0.00 0.00 43.42 43.12 1yub n LEU 73 CO 0.03 0.46 0.27 -3.20 -1.11 0.00 0.00 177.39 173.84 1yub n ASN 74 N -1.76 -0.27 0.00 1.96 5.15 -1.23 -5.03 115.26 114.08 1yub n ASN 74 Ca -0.19 -2.02 0.00 0.00 -0.60 0.00 0.00 54.58 51.77 1yub n ASN 74 Cb 0.50 0.11 0.00 0.00 -0.53 0.00 0.00 39.78 39.86 1yub n ASN 74 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1yub n THR 75 N -0.05 0.00 -3.54 -0.44 -2.24 -1.26 -5.03 114.28 101.72 1yub n THR 75 Ca -0.14 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.25 1yub n THR 75 Cb 0.86 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.05 1yub n THR 75 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1yub n ARG 76 N 0.00 2.93 -3.91 -0.78 5.12 -1.08 -5.00 116.66 113.93 1yub n ARG 76 Ca 0.00 -4.48 -0.35 0.00 -1.93 0.00 0.00 57.85 51.09 1yub n ARG 76 Cb 0.00 -2.45 -0.14 0.00 -1.16 0.00 0.00 32.46 28.71 1yub n ARG 76 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1yub s VAL 77 N -1.42 3.03 0.00 1.55 1.01 -1.22 0.57 120.40 123.92 1yub s VAL 77 Ca 0.29 -1.25 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 1yub s VAL 77 Cb -0.07 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1yub s VAL 77 CO -0.11 -0.02 0.05 -0.89 0.00 0.00 0.00 175.10 174.13 1yub s THR 78 N 1.29 0.07 -0.18 3.92 2.01 -1.04 -5.00 115.64 116.70 1yub s THR 78 Ca -0.03 -0.59 -0.04 0.00 0.31 0.00 0.00 61.69 61.34 1yub s THR 78 Cb -0.19 -0.27 -0.02 0.00 0.01 0.00 0.00 72.50 72.03 1yub s THR 78 CO -0.02 -0.32 -0.04 -0.22 -0.69 0.00 0.00 174.62 173.33 1yub s LEU 79 N -1.02 3.10 0.27 4.42 0.20 -1.26 -2.26 118.68 122.13 1yub s LEU 79 Ca -0.11 -0.24 0.04 0.00 0.69 0.00 0.00 54.13 54.51 1yub s LEU 79 Cb -0.07 -1.76 -0.03 0.00 -0.43 0.00 0.00 46.19 43.90 1yub s LEU 79 CO 0.00 0.09 0.41 -0.63 -0.29 0.00 0.00 176.35 175.93 1yub s ILE 80 N 0.80 5.14 -0.09 6.68 1.01 -1.07 -4.99 121.20 128.69 1yub s ILE 80 Ca -0.01 -0.88 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 1yub s ILE 80 Cb -0.15 -3.83 0.04 0.00 0.01 0.00 0.00 42.46 38.54 1yub s ILE 80 CO 0.02 -0.36 0.07 -1.00 0.00 0.00 0.00 174.94 173.66 1yub s HIS 81 N -2.06 0.17 0.00 3.97 3.76 -1.26 -4.77 115.29 115.10 1yub s HIS 81 Ca 0.36 0.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.28 1yub s HIS 81 Cb -0.09 -0.59 0.00 0.00 1.11 0.00 0.00 32.58 33.01 1yub s HIS 81 CO 0.31 -0.32 0.00 1.04 -0.85 0.00 0.00 174.74 174.92 1yub n GLN 82 N 5.28 0.00 -0.83 1.40 6.02 -1.26 -4.90 117.38 123.09 1yub n GLN 82 Ca -0.05 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.66 1yub n GLN 82 Cb 0.50 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.74 1yub n GLN 82 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1yub n ASP 83 N 0.25 -0.74 0.00 1.08 9.92 -1.26 -4.93 116.55 120.87 1yub n ASP 83 Ca 0.00 0.67 0.00 0.00 -0.53 0.00 0.00 54.79 54.93 1yub n ASP 83 Cb 0.00 -0.56 0.00 0.00 -0.64 0.00 0.00 41.12 39.92 1yub n ASP 83 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1yub n ILE 84 N 0.01 0.00 0.00 0.53 -0.00 -1.26 -4.86 119.36 113.77 1yub n ILE 84 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.86 1yub n ILE 84 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.79 1yub n ILE 84 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1yub n LEU 85 N 0.00 0.00 0.00 1.39 4.77 -1.26 -0.61 117.00 121.28 1yub n LEU 85 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 1yub n LEU 85 Cb 0.00 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.29 1yub n LEU 85 CO 0.00 0.00 0.59 1.67 -1.33 0.00 0.00 177.39 178.32 1yub n GLN 86 N 0.00 0.90 -0.10 3.23 7.27 -1.26 -1.98 117.38 125.45 1yub n GLN 86 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 56.97 1yub n GLN 86 Cb 0.00 -1.12 -0.15 0.00 2.41 0.00 0.00 30.24 31.38 1yub n GLN 86 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1yub n PHE 87 N -0.62 0.00 -0.04 3.69 7.35 0.21 -4.78 117.46 123.28 1yub n PHE 87 Ca 0.05 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.69 1yub n PHE 87 Cb 0.02 -0.95 -0.02 0.00 0.35 0.00 0.00 39.48 38.88 1yub n PHE 87 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 1yub n GLN 88 N -2.76 0.33 -1.43 -4.13 -0.06 -1.16 -4.91 117.38 103.25 1yub n GLN 88 Ca -0.33 0.13 -0.35 0.00 -2.00 0.00 0.00 57.00 54.45 1yub n GLN 88 Cb 1.11 -1.07 -0.16 0.00 -4.06 0.00 0.00 30.24 26.06 1yub n GLN 88 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 1yub n PHE 89 N -4.09 0.41 -0.54 3.69 3.72 -0.84 -4.85 117.46 114.97 1yub n PHE 89 Ca -0.09 0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 1yub n PHE 89 Cb 0.32 -1.85 0.00 0.00 -0.94 0.00 0.00 39.48 37.01 1yub n PHE 89 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1yub n PRO 90 N 7.43 1.58 -3.80 -1.08 -0.04 -1.26 -4.85 135.00 132.98 1yub n PRO 90 Ca 0.63 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 64.00 1yub n PRO 90 Cb 0.05 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.45 1yub n PRO 90 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1yub s ASN 91 N -1.00 0.02 0.11 3.54 0.01 -1.26 -4.63 114.94 111.73 1yub s ASN 91 Ca 0.00 -0.51 0.00 0.00 -0.71 0.00 0.00 52.86 51.64 1yub s ASN 91 Cb 0.00 0.36 0.00 0.00 0.41 0.00 0.00 41.25 42.02 1yub s ASN 91 CO 0.00 -0.73 0.00 0.29 -1.51 0.00 0.00 177.10 175.15 1yub n LYS 92 N 0.03 -0.87 0.00 -0.60 5.02 -1.26 -5.02 118.16 115.46 1yub n LYS 92 Ca -0.16 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1yub n LYS 92 Cb 0.62 -0.80 0.00 0.00 -0.02 0.00 0.00 35.03 34.83 1yub n LYS 92 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1yub n GLN 93 N -1.44 0.00 -4.42 1.97 7.27 -1.26 -4.94 117.38 114.55 1yub n GLN 93 Ca 0.00 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.85 1yub n GLN 93 Cb 0.06 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.61 1yub n GLN 93 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1yub s ARG 94 N 0.00 1.54 0.17 3.69 0.52 -1.04 -4.88 118.95 118.95 1yub s ARG 94 Ca 0.00 -1.68 -0.04 0.00 -0.52 0.00 0.00 55.73 53.50 1yub s ARG 94 Cb 0.00 -1.56 -0.03 0.00 0.52 0.00 0.00 34.95 33.88 1yub s ARG 94 CO 0.00 0.29 0.17 0.71 0.02 0.00 0.00 175.30 176.49 1yub s TYR 95 N -2.55 0.82 -0.45 -0.53 1.51 -0.35 -1.56 117.35 114.25 1yub s TYR 95 Ca 0.26 -1.13 0.02 0.00 -1.01 0.00 0.00 57.07 55.21 1yub s TYR 95 Cb -0.04 -0.35 0.14 0.00 -0.11 0.00 0.00 41.96 41.60 1yub s TYR 95 CO 0.12 -0.65 0.27 0.21 -1.11 0.00 0.00 175.55 174.39 1yub s LYS 96 N -4.07 1.24 -1.01 -0.62 2.36 0.17 -2.61 119.74 115.20 1yub s LYS 96 Ca 0.28 -2.05 -0.19 0.00 -2.55 0.00 0.00 55.97 51.46 1yub s LYS 96 Cb 0.06 -2.16 0.11 0.00 -1.05 0.00 0.00 37.83 34.79 1yub s LYS 96 CO 0.06 -1.21 1.28 0.96 1.55 0.00 0.00 175.35 177.99 1yub s ILE 97 N 0.25 4.55 -0.65 5.43 -4.36 -0.63 -1.14 121.20 124.64 1yub s ILE 97 Ca 0.20 -1.56 -0.17 0.00 -0.26 0.00 0.00 60.65 58.87 1yub s ILE 97 Cb -0.18 -4.89 0.14 0.00 1.25 0.00 0.00 42.46 38.78 1yub s ILE 97 CO -0.04 -1.66 0.67 -0.69 0.24 0.00 0.00 174.94 173.46 1yub s VAL 98 N 3.16 5.16 0.06 8.37 1.01 0.57 -1.28 120.40 137.45 1yub s VAL 98 Ca 0.38 -1.60 0.02 0.00 0.00 0.00 0.00 61.98 60.79 1yub s VAL 98 Cb -0.03 -4.45 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 1yub s VAL 98 CO -0.07 -1.03 -0.07 -0.83 0.00 0.00 0.00 175.10 173.09 1yub s GLY 99 N 3.26 0.57 0.00 4.51 0.00 -0.16 -4.02 107.32 111.47 1yub s GLY 99 Ca 0.11 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.92 1yub s GLY 99 CO 0.00 -0.98 0.00 1.16 0.00 0.00 0.00 173.10 173.28 1yub n ASN 100 N 1.08 0.00 -3.98 1.64 6.94 -0.58 -1.62 115.26 118.74 1yub n ASN 100 Ca -0.20 -0.81 -0.28 0.00 -0.02 0.00 0.00 54.58 53.27 1yub n ASN 100 Cb 0.56 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.81 1yub n ASN 100 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1yub s ILE 101 N 0.15 1.27 0.61 1.53 2.07 -0.74 -4.32 121.20 121.77 1yub s ILE 101 Ca 0.00 -0.47 0.24 0.00 -1.41 0.00 0.00 60.65 59.01 1yub s ILE 101 Cb 0.00 -1.22 0.24 0.00 0.13 0.00 0.00 42.46 41.61 1yub s ILE 101 CO 0.00 0.40 1.72 -0.65 -1.91 0.00 0.00 174.94 174.51 1yub h PRO 102 N 7.85 0.00 0.00 3.50 0.11 -1.89 -3.44 132.00 138.12 1yub h PRO 102 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1yub h PRO 102 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1yub h PRO 102 CO 0.46 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.91 1yub n TYR 103 N -2.75 0.00 -0.66 0.65 4.01 -1.26 -4.78 117.16 112.37 1yub n TYR 103 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1yub n TYR 103 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 1yub n TYR 103 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01 1yub n HIS 104 N -2.40 0.00 0.00 -0.72 1.44 -1.26 -5.08 115.22 107.20 1yub n HIS 104 Ca 0.00 -0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1yub n HIS 104 Cb 0.00 -0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1yub n HIS 104 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1yub n LEU 105 N -0.00 0.00 0.00 2.39 0.00 -1.26 -5.08 117.00 113.05 1yub n LEU 105 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1yub n LEU 105 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.59 1yub n LEU 105 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 177.39 176.19 1yub n SER 106 N 0.00 0.00 -0.39 1.96 7.64 -1.26 -4.35 113.62 117.22 1yub n SER 106 Ca 0.00 0.00 0.39 0.00 1.01 0.00 0.00 58.87 60.27 1yub n SER 106 Cb 0.00 0.00 0.72 0.00 -1.01 0.00 0.00 64.21 63.92 1yub n SER 106 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1yub h THR 107 N 0.00 0.19 0.33 0.44 2.02 -1.98 0.18 112.91 114.10 1yub h THR 107 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1yub h THR 107 Cb 0.00 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1yub h THR 107 CO 0.00 0.00 -0.16 1.56 0.37 0.00 0.00 175.52 177.29 1yub h GLN 108 N 0.00 -0.43 -0.12 6.66 4.20 -1.98 0.98 115.11 124.42 1yub h GLN 108 Ca 0.64 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.37 1yub h GLN 108 Cb 2.78 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 30.66 1yub h GLN 108 CO -0.01 -0.14 0.06 0.82 -0.67 0.00 0.00 178.83 178.90 1yub h ILE 109 N -0.70 1.10 0.00 2.54 2.04 -1.07 0.34 117.51 121.75 1yub h ILE 109 Ca -0.05 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1yub h ILE 109 Cb 0.49 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1yub h ILE 109 CO 0.07 0.09 0.00 0.40 0.00 0.00 0.00 178.15 178.72 1yub h ILE 110 N 0.09 0.00 0.00 -0.67 2.04 -1.30 -1.61 117.51 116.06 1yub h ILE 110 Ca 0.04 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1yub h ILE 110 Cb 0.09 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1yub h ILE 110 CO -0.01 0.00 -0.00 0.50 0.00 0.00 0.00 178.15 178.64 1yub h LYS 111 N 0.00 -0.01 -0.12 2.37 3.64 0.14 -2.54 116.57 120.05 1yub h LYS 111 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1yub h LYS 111 Cb 0.03 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1yub h LYS 111 CO 0.00 0.85 -0.15 -0.22 -2.27 0.00 0.00 179.45 177.66 1yub h LYS 112 N -0.97 0.32 -0.66 1.90 3.64 -0.93 -0.53 116.57 119.34 1yub h LYS 112 Ca -0.00 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1yub h LYS 112 Cb 0.86 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 1yub h LYS 112 CO 0.00 0.74 0.35 -0.24 -2.27 0.00 0.00 179.45 178.03 1yub h VAL 113 N -0.09 1.20 -0.00 2.00 3.04 -1.47 -0.35 116.25 120.58 1yub h VAL 113 Ca 0.02 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 1yub h VAL 113 Cb 0.69 0.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.29 1yub h VAL 113 CO 0.04 0.22 -0.15 0.55 -1.01 0.00 0.00 177.57 177.22 1yub n VAL 114 N -4.37 0.00 -0.05 1.51 3.14 -0.96 -0.71 118.33 116.90 1yub n VAL 114 Ca 0.06 -0.02 -0.05 0.00 -2.96 0.00 0.00 64.34 61.37 1yub n VAL 114 Cb 0.10 -0.21 -0.14 0.00 -1.06 0.00 0.00 33.84 32.53 1yub n VAL 114 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1yub n PHE 115 N -1.32 0.43 -0.42 1.45 3.72 -0.22 -4.71 117.46 116.40 1yub n PHE 115 Ca 0.10 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.65 1yub n PHE 115 Cb 0.31 -1.00 0.00 0.00 -0.94 0.00 0.00 39.48 37.85 1yub n PHE 115 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1yub n GLU 116 N -2.79 0.00 -2.22 -1.08 2.13 -0.42 -5.07 120.64 111.19 1yub n GLU 116 Ca -0.21 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.35 1yub n GLU 116 Cb 1.00 -0.16 0.08 0.00 0.27 0.00 0.00 31.44 32.64 1yub n GLU 116 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1yub s SER 117 N 0.00 4.60 -0.29 4.31 0.15 0.11 -4.94 113.70 117.64 1yub s SER 117 Ca 0.00 0.34 0.11 0.00 0.70 0.00 0.00 55.95 57.10 1yub s SER 117 Cb 0.00 -0.90 0.47 0.00 -1.71 0.00 0.00 66.02 63.88 1yub s SER 117 CO 0.00 -1.73 1.16 0.54 1.20 0.00 0.00 173.24 174.41 1yub n ARG 118 N -2.99 3.10 -0.36 5.44 5.12 -1.26 -4.82 116.66 120.90 1yub n ARG 118 Ca 0.09 -4.00 -0.09 0.00 -1.93 0.00 0.00 57.85 51.92 1yub n ARG 118 Cb 0.60 -2.10 -0.08 0.00 -1.16 0.00 0.00 32.46 29.72 1yub n ARG 118 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1yub n ALA 119 N -0.67 -0.54 0.00 7.54 0.00 -1.26 -3.83 120.51 121.75 1yub n ALA 119 Ca 0.34 0.72 0.00 0.00 0.00 0.00 0.00 53.44 54.50 1yub n ALA 119 Cb 0.92 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.30 1yub n ALA 119 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1yub n SER 120 N -4.94 0.00 -3.78 0.00 2.88 -0.53 -1.21 113.62 106.04 1yub n SER 120 Ca 0.02 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.27 1yub n SER 120 Cb 0.22 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.55 1yub n SER 120 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1yub s ASP 121 N 0.00 3.85 -0.25 -3.46 1.11 -1.07 -3.28 116.67 113.57 1yub s ASP 121 Ca 0.00 -3.05 -0.07 0.00 0.18 0.00 0.00 52.55 49.61 1yub s ASP 121 Cb 0.00 -1.25 -0.03 0.00 1.07 0.00 0.00 42.92 42.71 1yub s ASP 121 CO 0.00 -0.21 0.07 -0.51 1.18 0.00 0.00 175.17 175.71 1yub s ILE 122 N -0.25 4.35 -0.29 0.77 2.07 -0.39 -1.60 121.20 125.85 1yub s ILE 122 Ca 0.21 -0.16 -0.05 0.00 -1.41 0.00 0.00 60.65 59.24 1yub s ILE 122 Cb -0.17 -3.04 0.02 0.00 0.13 0.00 0.00 42.46 39.40 1yub s ILE 122 CO -0.06 0.34 0.05 -0.31 -1.91 0.00 0.00 174.94 173.05 1yub s TYR 123 N 1.61 3.16 -0.33 3.50 1.51 -0.41 -0.60 117.35 125.79 1yub s TYR 123 Ca 0.06 -1.25 -0.10 0.00 -1.01 0.00 0.00 57.07 54.77 1yub s TYR 123 Cb -0.15 -2.20 0.00 0.00 -0.11 0.00 0.00 41.96 39.50 1yub s TYR 123 CO 0.04 -0.65 0.17 -1.17 -1.11 0.00 0.00 175.55 172.83 1yub s LEU 124 N 1.42 4.30 -0.42 -1.29 2.96 -1.08 -0.99 118.68 123.59 1yub s LEU 124 Ca 0.01 -0.65 -0.19 0.00 -0.22 0.00 0.00 54.13 53.07 1yub s LEU 124 Cb -0.18 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.52 1yub s LEU 124 CO 0.01 -0.25 0.56 -0.63 -1.32 0.00 0.00 176.35 174.72 1yub s ILE 125 N 1.60 4.94 0.23 6.68 1.01 -0.64 -2.46 121.20 132.56 1yub s ILE 125 Ca 0.04 0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.76 1yub s ILE 125 Cb -0.18 -4.11 -0.05 0.00 0.01 0.00 0.00 42.46 38.13 1yub s ILE 125 CO 0.07 -0.47 -0.01 0.68 0.00 0.00 0.00 174.94 175.21 1yub s VAL 126 N 2.55 1.05 -0.31 2.92 -7.23 -1.08 -1.79 120.40 116.50 1yub s VAL 126 Ca 0.19 -2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 58.30 1yub s VAL 126 Cb -0.15 -2.34 0.12 0.00 0.56 0.00 0.00 36.38 34.57 1yub s VAL 126 CO 0.16 -0.33 0.19 -1.83 -0.31 0.00 0.00 175.10 172.98 1yub s GLU 127 N -3.86 0.34 0.00 4.82 -1.05 -1.26 -1.15 118.70 116.54 1yub s GLU 127 Ca 0.28 -0.76 0.00 0.00 -0.15 0.00 0.00 54.97 54.34 1yub s GLU 127 Cb 0.06 -1.12 0.00 0.00 -0.44 0.00 0.00 34.13 32.62 1yub s GLU 127 CO 0.09 -1.09 0.00 0.39 0.95 0.00 0.00 175.26 175.59 1yub n GLU 128 N 4.82 0.00 -0.53 -4.83 1.02 -1.22 -4.72 120.64 115.18 1yub n GLU 128 Ca 0.01 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1yub n GLU 128 Cb 0.41 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.83 1yub n GLU 128 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yub n GLY 129 N 0.00 0.94 0.24 0.62 0.00 -1.26 -4.89 105.19 100.84 1yub n GLY 129 Ca 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1yub n GLY 129 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1yub h PHE 130 N 0.00 1.03 0.00 1.61 3.57 -1.93 0.13 116.94 121.35 1yub h PHE 130 Ca -0.04 -0.32 -0.06 0.00 3.53 0.00 0.00 57.97 61.09 1yub h PHE 130 Cb 1.06 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1yub h PHE 130 CO -0.26 1.13 -0.27 -0.92 -2.23 0.00 0.00 178.31 175.76 1yub h TYR 131 N 0.63 0.00 0.00 0.41 3.20 -1.93 -2.03 116.97 117.24 1yub h TYR 131 Ca 0.04 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.76 1yub h TYR 131 Cb 0.98 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 1yub h TYR 131 CO 0.07 0.27 -0.84 0.87 -1.64 0.00 0.00 178.16 176.89 1yub h LYS 132 N 0.00 0.00 0.00 1.82 1.79 -1.86 -2.82 116.57 115.49 1yub h LYS 132 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1yub h LYS 132 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1yub h LYS 132 CO 0.03 0.66 0.00 -2.13 -1.08 0.00 0.00 179.45 176.93 1yub n ARG 133 N -3.23 0.21 -0.05 3.15 0.63 0.01 -2.16 116.66 115.22 1yub n ARG 133 Ca -0.01 0.39 -0.04 0.00 -0.92 0.00 0.00 57.85 57.27 1yub n ARG 133 Cb 0.84 -1.87 -0.01 0.00 0.45 0.00 0.00 32.46 31.87 1yub n ARG 133 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1yub n THR 134 N -2.26 0.98 0.28 5.15 -2.24 -1.04 -2.79 114.28 112.36 1yub n THR 134 Ca 0.03 0.29 0.15 0.00 -2.27 0.00 0.00 64.05 62.24 1yub n THR 134 Cb 0.27 -2.09 0.69 0.00 -2.10 0.00 0.00 70.33 67.10 1yub n THR 134 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1yub h LEU 135 N -0.68 0.00 -8.18 3.22 6.46 -1.58 -3.33 115.31 111.22 1yub h LEU 135 Ca 0.00 0.00 -0.67 0.00 -0.12 0.00 0.00 57.88 57.09 1yub h LEU 135 Cb 0.46 0.00 -0.17 0.00 -0.73 0.00 0.00 40.66 40.22 1yub h LEU 135 CO 0.00 0.00 0.41 -0.62 -0.62 0.00 0.00 178.44 177.61 1yub s ASP 136 N -4.36 6.24 0.00 1.25 -1.08 -0.92 -3.77 116.67 114.02 1yub s ASP 136 Ca -0.03 -1.30 0.09 0.00 -0.52 0.00 0.00 52.55 50.78 1yub s ASP 136 Cb 0.09 -2.37 0.34 0.00 -1.46 0.00 0.00 42.92 39.52 1yub s ASP 136 CO 0.29 -1.27 1.25 2.30 0.52 0.00 0.00 175.17 178.26 1yub n ILE 137 N 5.70 0.19 1.04 4.11 -5.35 -1.25 -3.67 119.36 120.12 1yub n ILE 137 Ca -0.02 -0.20 0.02 0.00 -0.27 0.00 0.00 62.75 62.28 1yub n ILE 137 Cb 0.45 0.08 0.09 0.00 -1.74 0.00 0.00 39.64 38.52 1yub n ILE 137 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1yub n HIS 138 N -0.09 0.36 0.00 4.28 -0.00 -1.26 -3.08 115.22 115.43 1yub n HIS 138 Ca 0.08 -0.15 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 1yub n HIS 138 Cb 0.15 -0.09 0.00 0.00 -0.00 0.00 0.00 29.99 30.05 1yub n HIS 138 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1yub n ARG 139 N 0.08 5.05 -0.35 -0.41 3.00 -1.24 -4.85 116.66 117.94 1yub n ARG 139 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.90 1yub n ARG 139 Cb 0.30 -0.42 0.00 0.00 0.00 0.00 0.00 32.46 32.33 1yub n ARG 139 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1yub n THR 140 N -0.80 0.00 -0.10 0.55 -2.24 -1.18 -4.76 114.28 105.76 1yub n THR 140 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 1yub n THR 140 Cb 0.00 -0.10 -0.11 0.00 -2.10 0.00 0.00 70.33 68.02 1yub n THR 140 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1yub n LEU 141 N 0.00 1.86 0.11 3.22 0.00 -1.26 -2.65 117.00 118.28 1yub n LEU 141 Ca 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 56.01 56.42 1yub n LEU 141 Cb 0.00 -0.96 0.22 0.00 0.00 0.00 0.00 43.42 42.69 1yub n LEU 141 CO 0.00 0.26 0.62 1.23 0.00 0.00 0.00 177.39 179.50 1yub h GLY 142 N -1.00 0.20 0.94 -3.96 0.00 -1.70 -2.60 103.07 94.95 1yub h GLY 142 Ca -0.35 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 46.69 1yub h GLY 142 CO -0.21 0.18 -0.13 -2.00 0.00 0.00 0.00 176.54 174.38 1yub h LEU 143 N 0.15 0.69 -1.20 3.11 6.46 -1.75 0.44 115.31 123.21 1yub h LEU 143 Ca 0.01 -0.39 0.01 0.00 -0.12 0.00 0.00 57.88 57.39 1yub h LEU 143 Cb 0.86 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.56 1yub h LEU 143 CO 0.07 0.92 0.54 0.25 -0.62 0.00 0.00 178.44 179.60 1yub h LEU 144 N 0.44 0.94 -2.16 2.25 5.85 -1.30 -1.00 115.31 120.34 1yub h LEU 144 Ca 0.08 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1yub h LEU 144 Cb 0.65 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1yub h LEU 144 CO 0.04 0.68 0.00 0.00 -0.34 0.00 0.00 178.44 178.82 1yub n LEU 145 N -4.41 3.18 -0.07 2.25 -0.00 -1.00 -4.28 117.00 112.67 1yub n LEU 145 Ca 0.09 -1.47 -0.20 0.00 -0.00 0.00 0.00 56.01 54.43 1yub n LEU 145 Cb 0.03 -0.31 -0.13 0.00 -0.00 0.00 0.00 43.42 43.01 1yub n LEU 145 CO 0.36 0.73 -1.06 1.41 -0.00 0.00 0.00 177.39 178.84 1yub n HIS 146 N 1.27 0.64 0.16 1.47 8.25 0.15 -3.88 115.22 123.29 1yub n HIS 146 Ca 0.20 0.15 0.02 0.00 -0.26 0.00 0.00 57.72 57.82 1yub n HIS 146 Cb 0.54 -1.08 0.09 0.00 1.12 0.00 0.00 29.99 30.66 1yub n HIS 146 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1yub n THR 147 N -3.48 1.31 0.32 1.59 -2.24 -1.00 -1.50 114.28 109.29 1yub n THR 147 Ca -0.39 0.33 0.04 0.00 -2.27 0.00 0.00 64.05 61.75 1yub n THR 147 Cb 1.00 -1.26 -0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1yub n THR 147 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yub n GLN 148 N -1.38 2.33 -3.73 -0.78 6.02 -1.26 -1.78 117.38 116.80 1yub n GLN 148 Ca 0.01 -0.50 -0.13 0.00 -0.01 0.00 0.00 57.00 56.38 1yub n GLN 148 Cb 0.04 -0.99 -0.14 0.00 1.02 0.00 0.00 30.24 30.17 1yub n GLN 148 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1yub s VAL 149 N -1.13 -0.06 -0.63 5.09 -7.23 -0.56 -1.14 120.40 114.74 1yub s VAL 149 Ca 0.06 0.17 -0.19 0.00 -1.81 0.00 0.00 61.98 60.20 1yub s VAL 149 Cb 0.06 -0.34 0.10 0.00 0.56 0.00 0.00 36.38 36.76 1yub s VAL 149 CO 0.19 0.07 0.78 -0.55 -0.31 0.00 0.00 175.10 175.27 1yub s SER 150 N 1.31 6.22 0.33 4.85 0.15 -0.64 -4.59 113.70 121.33 1yub s SER 150 Ca -0.09 -1.43 -0.07 0.00 0.70 0.00 0.00 55.95 55.06 1yub s SER 150 Cb -0.11 -2.32 -0.06 0.00 -1.71 0.00 0.00 66.02 61.82 1yub s SER 150 CO -0.08 -1.16 0.63 0.27 1.20 0.00 0.00 173.24 174.11 1yub s ILE 151 N 2.85 4.94 -0.26 6.45 -4.36 -1.25 -0.97 121.20 128.59 1yub s ILE 151 Ca 0.15 0.26 -0.01 0.00 -0.26 0.00 0.00 60.65 60.79 1yub s ILE 151 Cb -0.21 -3.73 0.14 0.00 1.25 0.00 0.00 42.46 39.91 1yub s ILE 151 CO 0.06 -0.39 0.37 -1.10 0.24 0.00 0.00 174.94 174.11 1yub s GLN 152 N -3.64 0.36 -0.00 0.37 -0.21 -0.74 -4.92 119.66 110.88 1yub s GLN 152 Ca 0.47 0.29 -0.37 0.00 0.02 0.00 0.00 55.36 55.77 1yub s GLN 152 Cb -0.11 -0.50 -0.15 0.00 1.00 0.00 0.00 33.01 33.26 1yub s GLN 152 CO 0.30 -0.82 1.56 0.94 -2.12 0.00 0.00 175.29 175.14 1yub n GLN 153 N 5.35 1.50 0.02 2.91 7.27 -1.26 -2.67 117.38 130.50 1yub n GLN 153 Ca -0.02 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.59 1yub n GLN 153 Cb 0.49 -2.25 0.00 0.00 2.41 0.00 0.00 30.24 30.89 1yub n GLN 153 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1yub n LEU 154 N 3.91 0.32 -4.86 1.69 4.77 -1.12 -4.91 117.00 116.79 1yub n LEU 154 Ca 0.20 0.05 -0.33 0.00 -0.03 0.00 0.00 56.01 55.91 1yub n LEU 154 Cb 0.21 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1yub n LEU 154 CO 0.68 -0.58 0.26 -0.22 -1.33 0.00 0.00 177.39 176.20 1yub s LEU 155 N -5.62 4.18 -0.23 2.23 2.96 -1.24 -4.97 118.68 115.99 1yub s LEU 155 Ca 0.00 1.02 -0.03 0.00 -0.22 0.00 0.00 54.13 54.90 1yub s LEU 155 Cb 0.00 -3.68 0.11 0.00 0.50 0.00 0.00 46.19 43.12 1yub s LEU 155 CO 0.00 -0.06 0.28 -0.75 -1.32 0.00 0.00 176.35 174.49 1yub s LYS 156 N -2.68 0.26 -0.19 1.98 2.20 -1.26 -1.80 119.74 118.25 1yub s LYS 156 Ca 0.47 0.20 -0.04 0.00 -0.36 0.00 0.00 55.97 56.24 1yub s LYS 156 Cb -0.12 -0.90 -0.02 0.00 -1.51 0.00 0.00 37.83 35.28 1yub s LYS 156 CO 0.20 -0.74 -0.02 -0.51 -0.36 0.00 0.00 175.35 173.92 1yub s LEU 157 N 2.39 3.17 0.00 5.43 2.01 -0.41 -4.95 118.68 126.33 1yub s LEU 157 Ca 0.09 -0.22 0.22 0.00 0.01 0.00 0.00 54.13 54.23 1yub s LEU 157 Cb -0.15 -1.79 1.32 0.00 0.01 0.00 0.00 46.19 45.57 1yub s LEU 157 CO -0.18 0.08 1.78 -0.81 1.01 0.00 0.00 176.35 178.22 1yub n PRO 158 N 4.15 0.88 -2.18 1.29 -0.04 -1.26 -1.06 135.00 136.78 1yub n PRO 158 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1yub n PRO 158 Cb 0.52 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1yub n PRO 158 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yub n ALA 159 N -0.89 0.00 -0.18 0.55 0.00 -1.26 -4.58 120.51 114.15 1yub n ALA 159 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.53 1yub n ALA 159 Cb 0.08 -0.46 0.02 0.00 0.00 0.00 0.00 19.45 19.08 1yub n ALA 159 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1yub h GLU 160 N 0.00 0.76 0.00 0.00 5.08 -1.94 -1.23 114.58 117.25 1yub h GLU 160 Ca 0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1yub h GLU 160 Cb 0.93 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1yub h GLU 160 CO 0.00 0.64 0.00 0.00 -1.00 0.00 0.00 179.01 178.65 1yub n PHE 162 N -0.92 3.58 -1.77 0.00 3.01 -0.47 -3.30 117.46 117.60 1yub n PHE 162 Ca 0.14 -2.95 -0.31 0.00 1.01 0.00 0.00 57.45 55.34 1yub n PHE 162 Cb 0.06 -2.12 0.03 0.00 -0.01 0.00 0.00 39.48 37.45 1yub n PHE 162 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1yub s HIS 163 N 1.21 3.14 -0.11 1.38 3.76 -0.12 -1.93 115.29 122.63 1yub s HIS 163 Ca 0.42 1.44 -0.12 0.00 -0.15 0.00 0.00 55.06 56.65 1yub s HIS 163 Cb 0.07 -2.89 -0.10 0.00 1.11 0.00 0.00 32.58 30.76 1yub s HIS 163 CO -0.00 -1.11 0.33 -1.00 -0.85 0.00 0.00 174.74 172.11 1yub h PRO 164 N -0.29 -0.03 -4.63 8.40 0.13 -1.84 -0.08 132.00 133.66 1yub h PRO 164 Ca -0.45 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.01 1yub h PRO 164 Cb 1.21 0.01 -0.38 0.00 0.13 0.00 0.00 31.00 31.97 1yub h PRO 164 CO 0.58 0.35 -0.67 0.15 -0.23 0.00 0.00 178.00 178.18 1yub s LYS 165 N -1.94 1.71 0.11 0.86 1.02 -1.25 -5.09 119.74 115.15 1yub s LYS 165 Ca -0.07 -1.82 -0.01 0.00 0.02 0.00 0.00 55.97 54.08 1yub s LYS 165 Cb -0.01 -3.32 0.02 0.00 -0.52 0.00 0.00 37.83 34.00 1yub s LYS 165 CO 0.27 -0.96 0.05 -2.30 -0.92 0.00 0.00 175.35 171.49 1yub n PRO 166 N 4.38 0.07 0.00 -1.68 -0.02 -0.81 -5.01 135.00 131.94 1yub n PRO 166 Ca 0.01 -0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1yub n PRO 166 Cb 0.42 -0.16 0.00 0.00 -0.02 0.00 0.00 33.50 33.74 1yub n PRO 166 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1yub n LYS 167 N -0.90 0.00 -3.94 -0.52 0.00 -1.26 -5.11 118.16 106.44 1yub n LYS 167 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 58.10 1yub n LYS 167 Cb 0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 35.03 34.95 1yub n LYS 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1yub s VAL 168 N -1.30 3.43 -0.22 3.15 -7.23 -1.26 -5.11 120.40 111.86 1yub s VAL 168 Ca 0.00 -1.49 -0.02 0.00 -1.81 0.00 0.00 61.98 58.67 1yub s VAL 168 Cb 0.00 -3.13 0.01 0.00 0.56 0.00 0.00 36.38 33.83 1yub s VAL 168 CO 0.00 -0.19 -0.09 0.54 -0.31 0.00 0.00 175.10 175.04 1yub s ASN 169 N -3.93 3.98 -0.23 4.85 2.20 -1.26 -4.33 114.94 116.22 1yub s ASN 169 Ca 0.39 -0.67 -0.16 0.00 -0.94 0.00 0.00 52.86 51.48 1yub s ASN 169 Cb -0.05 -1.64 -0.04 0.00 -2.00 0.00 0.00 41.25 37.53 1yub s ASN 169 CO 0.25 -0.06 0.43 -0.55 -2.94 0.00 0.00 177.10 174.23 1yub s SER 170 N 1.36 6.40 0.36 3.54 0.15 -0.22 -3.42 113.70 121.87 1yub s SER 170 Ca 0.03 0.47 0.06 0.00 0.70 0.00 0.00 55.95 57.22 1yub s SER 170 Cb -0.15 -2.24 -0.07 0.00 -1.71 0.00 0.00 66.02 61.85 1yub s SER 170 CO -0.06 -0.16 -0.00 0.68 1.20 0.00 0.00 173.24 174.89 1yub s VAL 171 N 1.74 1.75 -0.23 4.45 -7.23 -0.30 -1.29 120.40 119.30 1yub s VAL 171 Ca 0.19 -2.05 -0.04 0.00 -1.81 0.00 0.00 61.98 58.27 1yub s VAL 171 Cb -0.15 -2.80 -0.00 0.00 0.56 0.00 0.00 36.38 33.98 1yub s VAL 171 CO 0.09 -0.08 -0.04 -0.22 -0.31 0.00 0.00 175.10 174.54 1yub s LEU 172 N -3.59 3.00 -0.28 1.32 2.96 -0.75 -2.63 118.68 118.71 1yub s LEU 172 Ca 0.34 -0.48 -0.15 0.00 -0.22 0.00 0.00 54.13 53.62 1yub s LEU 172 Cb 0.08 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 1yub s LEU 172 CO 0.16 -0.05 0.39 -0.63 -1.32 0.00 0.00 176.35 174.91 1yub s ILE 173 N 1.46 5.15 -1.30 6.68 1.09 -1.03 -2.80 121.20 130.46 1yub s ILE 173 Ca 0.05 0.51 -0.18 0.00 -1.10 0.00 0.00 60.65 59.93 1yub s ILE 173 Cb -0.15 -3.74 0.08 0.00 -1.06 0.00 0.00 42.46 37.59 1yub s ILE 173 CO -0.03 0.09 1.73 1.17 -0.10 0.00 0.00 174.94 177.80 1yub n LYS 174 N 5.39 3.21 -2.53 2.79 4.81 -1.09 -2.64 118.16 128.09 1yub n LYS 174 Ca -0.08 -3.31 -0.37 0.00 -0.87 0.00 0.00 58.31 53.68 1yub n LYS 174 Cb 0.50 -3.47 -0.04 0.00 0.02 0.00 0.00 35.03 32.05 1yub n LYS 174 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1yub s LEU 175 N 4.02 4.25 -0.65 3.14 1.02 0.24 -1.79 118.68 128.92 1yub s LEU 175 Ca 0.53 2.09 0.05 0.00 0.02 0.00 0.00 54.13 56.82 1yub s LEU 175 Cb 0.04 -4.04 0.17 0.00 0.02 0.00 0.00 46.19 42.38 1yub s LEU 175 CO 0.07 -0.39 0.46 -0.89 0.02 0.00 0.00 176.35 175.63 1yub s THR 176 N -1.53 2.37 -0.53 5.49 2.01 -0.14 -1.27 115.64 122.04 1yub s THR 176 Ca 0.54 -3.95 -0.27 0.00 0.31 0.00 0.00 61.69 58.31 1yub s THR 176 Cb -0.24 -2.56 -0.09 0.00 0.01 0.00 0.00 72.50 69.61 1yub s THR 176 CO 0.31 -1.06 2.43 -1.14 -0.69 0.00 0.00 174.62 174.47 1yub n ARG 177 N 2.14 0.98 -0.91 4.92 3.00 -1.21 -1.61 116.66 123.97 1yub n ARG 177 Ca 0.22 0.06 0.00 0.00 -0.00 0.00 0.00 57.85 58.13 1yub n ARG 177 Cb 0.38 -3.10 0.00 0.00 0.00 0.00 0.00 32.46 29.74 1yub n ARG 177 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 1yub n HIS 178 N 14.45 -1.30 0.00 -0.14 1.44 -0.29 -1.46 115.22 127.92 1yub n HIS 178 Ca 0.41 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.12 1yub n HIS 178 Cb 0.45 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.56 1yub n HIS 178 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 1yub n THR 179 N -0.43 0.00 -3.57 0.61 -1.04 -1.26 -4.81 114.28 103.78 1yub n THR 179 Ca 0.00 0.88 0.03 0.00 -2.04 0.00 0.00 64.05 62.91 1yub n THR 179 Cb 0.00 -1.81 -0.06 0.00 -1.82 0.00 0.00 70.33 66.64 1yub n THR 179 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1yub s THR 180 N -0.75 -0.01 -0.65 12.58 2.01 -1.26 -4.86 115.64 122.70 1yub s THR 180 Ca 0.00 0.00 0.25 0.00 0.31 0.00 0.00 61.69 62.25 1yub s THR 180 Cb 0.00 -1.00 0.26 0.00 0.01 0.00 0.00 72.50 71.77 1yub s THR 180 CO 0.00 0.00 1.66 0.44 -0.69 0.00 0.00 174.62 176.03 1yub h ASP 181 N 5.42 0.00 -3.30 3.53 3.32 -1.73 -3.43 116.42 120.23 1yub h ASP 181 Ca -0.24 -0.03 -0.55 0.00 0.02 0.00 0.00 57.03 56.23 1yub h ASP 181 Cb 1.15 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.35 1yub h ASP 181 CO 0.21 0.01 -0.82 -0.69 -1.72 0.00 0.00 179.24 176.23 1yub s VAL 182 N -3.14 1.26 -0.26 -1.35 1.01 -1.26 -5.08 120.40 111.58 1yub s VAL 182 Ca 0.09 -0.50 -0.39 0.00 0.00 0.00 0.00 61.98 61.18 1yub s VAL 182 Cb 0.11 -1.18 -0.15 0.00 0.00 0.00 0.00 36.38 35.16 1yub s VAL 182 CO 0.63 0.39 1.82 -2.65 0.00 0.00 0.00 175.10 175.29 1yub n PRO 183 N 4.25 1.28 -0.54 2.72 -0.02 -1.26 -4.59 135.00 136.84 1yub n PRO 183 Ca -0.19 0.46 0.44 0.00 -2.02 0.00 0.00 63.50 62.20 1yub n PRO 183 Cb 0.51 -2.21 0.72 0.00 -0.02 0.00 0.00 33.50 32.50 1yub n PRO 183 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1yub n ASP 184 N 6.03 0.15 0.32 2.55 9.92 -1.26 0.69 116.55 134.94 1yub n ASP 184 Ca 0.28 1.27 -0.16 0.00 -0.53 0.00 0.00 54.79 55.65 1yub n ASP 184 Cb 0.16 -0.63 -0.08 0.00 -0.64 0.00 0.00 41.12 39.93 1yub n ASP 184 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1yub h LYS 185 N 0.00 -0.78 0.00 -1.24 1.57 -2.00 -2.40 116.57 111.72 1yub h LYS 185 Ca 0.90 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.73 1yub h LYS 185 Cb 3.12 0.18 0.00 0.00 0.08 0.00 0.00 32.23 35.61 1yub h LYS 185 CO -0.33 -0.47 0.00 0.66 -0.57 0.00 0.00 179.45 178.74 1yub n TYR 186 N -5.37 0.00 0.04 -1.35 4.01 0.15 -3.65 117.16 111.00 1yub n TYR 186 Ca -0.12 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.49 1yub n TYR 186 Cb 0.35 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.29 1yub n TYR 186 CO 0.00 0.00 0.00 2.35 -0.46 0.00 0.00 176.86 178.75 1yub h TRP 187 N 0.00 -0.09 0.00 -0.72 2.91 0.80 0.41 115.95 119.26 1yub h TRP 187 Ca 0.00 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 59.98 1yub h TRP 187 Cb 0.00 0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 28.68 1yub h TRP 187 CO 0.00 0.28 -0.16 0.87 -1.03 0.00 0.00 178.44 178.39 1yub h LYS 188 N -0.48 0.00 0.00 2.65 1.57 -1.64 0.21 116.57 118.88 1yub h LYS 188 Ca -0.01 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1yub h LYS 188 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1yub h LYS 188 CO 0.02 0.16 -0.34 1.25 -0.57 0.00 0.00 179.45 179.97 1yub h LEU 189 N 0.00 0.00 0.23 2.94 6.46 -1.64 -3.16 115.31 120.14 1yub h LEU 189 Ca -0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1yub h LEU 189 Cb 0.29 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 1yub h LEU 189 CO 0.02 0.34 -0.11 0.22 -0.62 0.00 0.00 178.44 178.29 1yub h TYR 190 N 0.00 -0.29 -0.39 1.25 3.20 0.30 -2.69 116.97 118.35 1yub h TYR 190 Ca -0.00 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.91 1yub h TYR 190 Cb 1.02 0.09 -0.08 0.00 1.54 0.00 0.00 36.73 39.31 1yub h TYR 190 CO 0.00 0.07 -0.54 1.79 -1.64 0.00 0.00 178.16 177.85 1yub h THR 191 N -0.94 0.00 -0.56 1.81 1.35 -1.35 0.65 112.91 113.88 1yub h THR 191 Ca -0.03 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.94 1yub h THR 191 Cb 0.48 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 66.79 1yub h THR 191 CO 0.05 0.00 -0.23 1.88 -0.25 0.00 0.00 175.52 176.97 1yub h TYR 192 N -0.38 -0.58 -0.89 4.73 0.05 -1.65 0.56 116.97 118.81 1yub h TYR 192 Ca 0.07 0.06 0.24 0.00 0.05 0.00 0.00 58.73 59.15 1yub h TYR 192 Cb 0.57 0.34 -0.14 0.00 1.01 0.00 0.00 36.73 38.51 1yub h TYR 192 CO -0.72 -0.32 0.28 0.74 -1.05 0.00 0.00 178.16 177.09 1yub h PHE 193 N -0.09 0.43 0.51 4.88 -1.00 -0.57 0.17 116.94 121.27 1yub h PHE 193 Ca 0.26 0.05 -0.03 0.00 2.81 0.00 0.00 57.97 61.06 1yub h PHE 193 Cb 0.49 -0.05 0.01 0.00 3.61 0.00 0.00 35.95 40.01 1yub h PHE 193 CO -0.54 -0.19 -0.25 0.28 -1.61 0.00 0.00 178.31 176.00 1yub h VAL 194 N 0.23 0.48 -0.41 -0.55 2.07 0.13 -1.43 116.25 116.77 1yub h VAL 194 Ca 0.57 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.96 1yub h VAL 194 Cb 1.16 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 1yub h VAL 194 CO -0.64 0.03 -0.24 -0.24 0.02 0.00 0.00 177.57 176.50 1yub n SER 195 N -5.35 -0.43 -0.09 0.57 2.88 0.56 0.10 113.62 111.86 1yub n SER 195 Ca -0.12 1.08 -0.04 0.00 -1.33 0.00 0.00 58.87 58.47 1yub n SER 195 Cb 0.30 -0.27 0.18 0.00 -0.75 0.00 0.00 64.21 63.67 1yub n SER 195 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1yub h LYS 196 N 0.00 0.75 0.00 -1.46 1.57 -1.50 -1.09 116.57 114.85 1yub h LYS 196 Ca 0.07 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1yub h LYS 196 Cb 0.17 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1yub h LYS 196 CO -0.38 0.76 0.00 1.87 -0.57 0.00 0.00 179.45 181.13 1yub n TRP 197 N -4.23 0.00 -0.01 -1.35 -0.00 0.16 -1.34 117.44 110.67 1yub n TRP 197 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.51 1yub n TRP 197 Cb 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 31.31 31.60 1yub n TRP 197 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1yub n VAL 198 N -0.87 0.19 0.00 5.87 0.31 0.29 -4.75 118.33 119.36 1yub n VAL 198 Ca 0.15 0.44 0.00 0.00 -0.01 0.00 0.00 64.34 64.92 1yub n VAL 198 Cb 0.07 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 1yub n VAL 198 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1yub n ASN 199 N -2.74 0.00 0.00 4.52 2.85 -1.04 -4.78 115.26 114.08 1yub n ASN 199 Ca -0.02 0.88 0.00 0.00 -0.11 0.00 0.00 54.58 55.33 1yub n ASN 199 Cb 0.06 -0.38 0.00 0.00 1.24 0.00 0.00 39.78 40.71 1yub n ASN 199 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1yub n ARG 200 N -2.33 0.00 -1.39 1.20 5.12 -1.23 -5.02 116.66 113.00 1yub n ARG 200 Ca 0.00 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.65 1yub n ARG 200 Cb 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.29 1yub n ARG 200 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1yub n GLU 201 N 0.00 2.33 -0.08 5.56 -0.58 -0.45 -4.52 120.64 122.90 1yub n GLU 201 Ca 0.00 -2.38 -0.14 0.00 -0.42 0.00 0.00 57.16 54.22 1yub n GLU 201 Cb 0.00 -2.05 -0.05 0.00 -0.57 0.00 0.00 31.44 28.77 1yub n GLU 201 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1yub h TYR 202 N 2.57 0.87 0.00 -0.32 0.05 -1.93 -1.51 116.97 116.70 1yub h TYR 202 Ca 0.41 -0.29 0.00 0.00 0.05 0.00 0.00 58.73 58.90 1yub h TYR 202 Cb 0.69 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.26 1yub h TYR 202 CO 1.28 1.05 0.00 0.54 -1.05 0.00 0.00 178.16 179.98 1yub n ARG 203 N -4.21 0.06 -0.02 4.88 1.74 -1.26 -1.61 116.66 116.24 1yub n ARG 203 Ca -0.05 0.15 -0.21 0.00 -0.77 0.00 0.00 57.85 56.97 1yub n ARG 203 Cb 0.52 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.33 1yub n ARG 203 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1yub n GLN 204 N -1.45 0.74 0.16 5.56 -0.06 -0.96 -4.14 117.38 117.23 1yub n GLN 204 Ca 0.06 0.25 0.05 0.00 -2.00 0.00 0.00 57.00 55.36 1yub n GLN 204 Cb 0.22 -1.68 0.10 0.00 -4.06 0.00 0.00 30.24 24.82 1yub n GLN 204 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 1yub h LEU 205 N 0.04 0.00 -9.63 1.69 3.38 -1.17 -3.44 115.31 106.19 1yub h LEU 205 Ca -0.45 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.94 1yub h LEU 205 Cb 2.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.70 1yub h LEU 205 CO 0.05 0.38 -0.07 -0.36 0.09 0.00 0.00 178.44 178.53 1yub s PHE 206 N -3.09 3.74 -0.18 1.13 0.08 -0.63 -4.96 117.98 114.06 1yub s PHE 206 Ca 0.04 1.18 0.17 0.00 0.12 0.00 0.00 56.93 58.44 1yub s PHE 206 Cb 0.07 -2.49 0.04 0.00 -0.57 0.00 0.00 43.02 40.07 1yub s PHE 206 CO 0.72 0.51 1.29 0.00 -0.10 0.00 0.00 175.22 177.64 1yub h THR 207 N 3.79 0.63 0.00 0.64 1.03 -1.86 -3.43 112.91 113.72 1yub h THR 207 Ca -0.48 -1.96 -0.10 0.00 -0.01 0.00 0.00 66.41 63.86 1yub h THR 207 Cb 1.21 2.22 -0.10 0.00 -1.07 0.00 0.00 68.15 70.41 1yub h THR 207 CO 0.65 0.36 0.12 0.29 -0.01 0.00 0.00 175.52 176.93 1yub n LYS 208 N -3.10 0.26 -0.80 0.00 4.76 -1.26 -4.93 118.16 113.10 1yub n LYS 208 Ca -0.01 -0.80 0.00 0.00 -2.87 0.00 0.00 58.31 54.63 1yub n LYS 208 Cb 0.73 -0.07 0.00 0.00 -1.84 0.00 0.00 35.03 33.85 1yub n LYS 208 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1yub n ASN 209 N -0.26 -2.26 0.34 4.39 3.02 -1.26 -4.84 115.26 114.38 1yub n ASN 209 Ca -0.20 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.17 1yub n ASN 209 Cb 0.69 -2.17 -0.09 0.00 -0.61 0.00 0.00 39.78 37.60 1yub n ASN 209 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1yub h GLN 210 N 0.60 -0.85 -0.13 3.52 5.75 -1.93 -1.35 115.11 120.72 1yub h GLN 210 Ca 0.00 0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.52 1yub h GLN 210 Cb 0.32 0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 1yub h GLN 210 CO 0.00 -0.56 -0.09 0.74 -2.65 0.00 0.00 178.83 176.26 1yub h PHE 211 N -0.88 0.21 -0.71 3.99 -1.00 -1.94 -1.76 116.94 114.85 1yub h PHE 211 Ca -0.08 -0.02 0.09 0.00 2.81 0.00 0.00 57.97 60.77 1yub h PHE 211 Cb 0.70 -0.06 -0.07 0.00 3.61 0.00 0.00 35.95 40.13 1yub h PHE 211 CO -0.06 0.30 0.36 1.25 -1.61 0.00 0.00 178.31 178.55 1yub h HIS 212 N 0.19 0.65 -0.27 -0.55 2.76 -1.74 0.37 115.15 116.56 1yub h HIS 212 Ca 0.04 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.20 1yub h HIS 212 Cb 0.30 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 1yub h HIS 212 CO 0.00 0.25 -0.02 1.96 -1.30 0.00 0.00 177.93 178.82 1yub h GLN 213 N 0.62 0.41 0.00 5.26 4.20 -0.37 -0.50 115.11 124.73 1yub h GLN 213 Ca 0.34 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.91 1yub h GLN 213 Cb 0.33 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1yub h GLN 213 CO -0.25 0.46 -0.30 0.00 -0.67 0.00 0.00 178.83 178.06 1yub h ALA 214 N 1.59 1.34 0.31 3.87 0.00 -0.10 -1.60 119.26 124.66 1yub h ALA 214 Ca 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1yub h ALA 214 Cb 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1yub h ALA 214 CO 0.01 0.38 -0.15 0.52 0.00 0.00 0.00 179.25 180.01 1yub h MET 215 N 0.00 -0.40 -0.94 0.00 2.86 0.63 -2.52 114.93 114.57 1yub h MET 215 Ca -0.00 0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.80 1yub h MET 215 Cb 0.59 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.27 1yub h MET 215 CO 0.04 -0.09 0.60 -0.22 1.06 0.00 0.00 176.91 178.30 1yub h LYS 216 N -0.98 0.80 -0.54 1.72 3.64 -1.38 0.18 116.57 120.01 1yub h LYS 216 Ca -0.04 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1yub h LYS 216 Cb 0.49 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1yub h LYS 216 CO 0.07 0.53 0.32 0.45 -2.27 0.00 0.00 179.45 178.55 1yub h HIS 217 N 0.83 0.71 -0.40 1.91 3.86 -1.27 -0.65 115.15 120.15 1yub h HIS 217 Ca 0.47 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.53 1yub h HIS 217 Cb 0.61 -0.23 -0.09 0.00 1.06 0.00 0.00 27.41 28.76 1yub h HIS 217 CO -0.00 0.49 0.19 0.00 0.86 0.00 0.00 177.93 179.47 1yub n ALA 218 N -2.45 3.67 -2.55 2.45 0.00 0.58 -4.84 120.51 117.37 1yub n ALA 218 Ca 0.05 -1.20 -0.05 0.00 0.00 0.00 0.00 53.44 52.23 1yub n ALA 218 Cb 0.08 -1.16 -0.00 0.00 0.00 0.00 0.00 19.45 18.37 1yub n ALA 218 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1yub n LYS 219 N -0.06 -2.73 -2.24 0.00 5.02 -0.25 -4.77 118.16 113.12 1yub n LYS 219 Ca 0.23 0.19 -0.40 0.00 -2.02 0.00 0.00 58.31 56.31 1yub n LYS 219 Cb 0.93 -4.73 0.02 0.00 -0.02 0.00 0.00 35.03 31.23 1yub n LYS 219 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1yub n VAL 220 N -2.83 4.87 0.08 -0.18 3.14 -0.85 -4.80 118.33 117.76 1yub n VAL 220 Ca -0.04 -5.03 -0.05 0.00 -2.96 0.00 0.00 64.34 56.27 1yub n VAL 220 Cb 0.53 -1.45 -0.03 0.00 -1.06 0.00 0.00 33.84 31.83 1yub n VAL 220 CO 0.00 0.00 0.00 -1.13 -6.46 0.00 0.00 176.83 169.24 1yub h ASN 221 N 3.66 -0.35 -3.60 6.55 -0.73 -1.86 -3.39 115.58 115.86 1yub h ASN 221 Ca 0.55 0.03 -0.70 0.00 1.87 0.00 0.00 56.30 58.05 1yub h ASN 221 Cb 0.22 0.12 -0.22 0.00 0.27 0.00 0.00 38.32 38.70 1yub h ASN 221 CO 1.29 -0.17 -0.50 0.20 -0.37 0.00 0.00 177.43 177.88 1yub s ASN 222 N -2.78 5.85 0.00 1.15 0.01 -1.26 -4.92 114.94 112.98 1yub s ASN 222 Ca -0.05 -0.77 0.30 0.00 -0.71 0.00 0.00 52.86 51.63 1yub s ASN 222 Cb 0.01 -2.07 1.49 0.00 0.41 0.00 0.00 41.25 41.09 1yub s ASN 222 CO 0.15 -0.34 2.00 0.00 -1.51 0.00 0.00 177.10 177.40 1yub n LEU 223 N 5.05 0.61 -0.30 0.60 -0.00 -1.26 -3.91 117.00 117.80 1yub n LEU 223 Ca -0.12 -0.18 0.06 0.00 -0.00 0.00 0.00 56.01 55.78 1yub n LEU 223 Cb 0.48 -0.03 0.21 0.00 -0.00 0.00 0.00 43.42 44.08 1yub n LEU 223 CO 0.37 0.10 1.11 -1.28 -0.00 0.00 0.00 177.39 177.69 1yub h SER 224 N 0.93 0.56 1.42 1.45 0.87 -1.96 0.34 113.55 117.16 1yub h SER 224 Ca 0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1yub h SER 224 Cb 0.24 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1yub h SER 224 CO 0.00 0.26 -0.35 0.00 -0.53 0.00 0.00 176.83 176.21 1yub h THR 225 N 0.66 0.00 -1.12 2.23 1.03 -1.96 -3.47 112.91 110.29 1yub h THR 225 Ca 0.45 -0.77 -0.61 0.00 -0.01 0.00 0.00 66.41 65.47 1yub h THR 225 Cb 0.60 1.58 0.12 0.00 -1.07 0.00 0.00 68.15 69.37 1yub h THR 225 CO -0.34 0.00 -0.61 0.00 -0.01 0.00 0.00 175.52 174.56 1yub n ILE 226 N -2.61 1.46 -0.07 0.00 0.00 0.12 -4.89 119.36 113.38 1yub n ILE 226 Ca 0.03 -0.46 -0.21 0.00 0.00 0.00 0.00 62.75 62.11 1yub n ILE 226 Cb 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 39.64 40.01 1yub n ILE 226 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1yub n THR 227 N -0.29 1.63 0.00 9.51 -2.24 -1.25 -4.43 114.28 117.22 1yub n THR 227 Ca 0.15 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1yub n THR 227 Cb 0.27 -1.65 0.00 0.00 -2.10 0.00 0.00 70.33 66.85 1yub n THR 227 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yub n TYR 228 N -3.53 0.00 -0.19 4.78 9.36 -1.26 -4.15 117.16 122.17 1yub n TYR 228 Ca -0.39 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 60.81 1yub n TYR 228 Cb 0.98 0.00 0.08 0.00 -0.63 0.00 0.00 39.34 39.77 1yub n TYR 228 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1yub h GLU 229 N 0.00 0.45 0.71 2.98 4.81 -1.97 -0.55 114.58 121.01 1yub h GLU 229 Ca 0.00 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1yub h GLU 229 Cb 0.00 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.29 1yub h GLU 229 CO 0.00 0.30 -0.34 1.96 -0.73 0.00 0.00 179.01 180.20 1yub h GLN 230 N 0.47 -0.92 -0.64 1.92 1.08 -1.98 -1.64 115.11 113.40 1yub h GLN 230 Ca 0.27 0.06 0.18 0.00 -1.45 0.00 0.00 58.65 57.71 1yub h GLN 230 Cb 0.25 0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.86 1yub h GLN 230 CO -0.23 -0.59 0.67 -0.24 -0.95 0.00 0.00 178.83 177.50 1yub h VAL 231 N -1.07 0.28 -0.02 -0.54 3.04 -1.89 0.22 116.25 116.28 1yub h VAL 231 Ca -0.10 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.59 1yub h VAL 231 Cb 0.75 0.47 -0.00 0.00 -2.01 0.00 0.00 31.29 30.50 1yub h VAL 231 CO 0.16 0.00 -0.01 0.25 -1.01 0.00 0.00 177.57 176.96 1yub h LEU 232 N 0.00 0.04 0.24 3.16 7.12 -0.14 -2.03 115.31 123.70 1yub h LEU 232 Ca 0.30 -0.47 -0.01 0.00 0.13 0.00 0.00 57.88 57.83 1yub h LEU 232 Cb 1.65 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.77 1yub h LEU 232 CO -0.00 0.50 -0.12 0.28 -0.13 0.00 0.00 178.44 178.97 1yub h SER 233 N -0.42 -0.27 -0.93 1.25 0.02 -0.28 -1.20 113.55 111.73 1yub h SER 233 Ca 0.00 0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.08 1yub h SER 233 Cb 0.48 0.07 -0.13 0.00 0.14 0.00 0.00 62.40 62.96 1yub h SER 233 CO 0.00 0.03 -0.43 -0.38 -1.14 0.00 0.00 176.83 174.91 1yub n ILE 234 N -4.11 -0.54 -0.10 3.27 5.41 0.10 0.56 119.36 123.94 1yub n ILE 234 Ca -0.04 2.20 -0.09 0.00 1.00 0.00 0.00 62.75 65.82 1yub n ILE 234 Cb 0.13 -2.83 -0.02 0.00 -0.71 0.00 0.00 39.64 36.21 1yub n ILE 234 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1yub h PHE 235 N 0.00 0.46 -1.12 1.39 0.04 -1.46 -1.88 116.94 114.36 1yub h PHE 235 Ca 0.25 -0.01 0.33 0.00 2.80 0.00 0.00 57.97 61.34 1yub h PHE 235 Cb 0.49 -0.15 -0.11 0.00 2.20 0.00 0.00 35.95 38.38 1yub h PHE 235 CO -0.87 0.37 0.71 -0.97 -0.60 0.00 0.00 178.31 176.96 1yub h ASN 236 N 0.42 0.39 -0.23 2.17 -1.24 0.14 0.55 115.58 117.78 1yub h ASN 236 Ca 0.12 0.12 -0.05 0.00 0.71 0.00 0.00 56.30 57.20 1yub h ASN 236 Cb 0.07 0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 1yub h ASN 236 CO -0.02 -0.03 -0.04 -1.28 -1.29 0.00 0.00 177.43 174.77 1yub h SER 237 N 0.29 0.44 -0.01 1.15 0.87 -0.37 -1.95 113.55 113.96 1yub h SER 237 Ca 0.69 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1yub h SER 237 Cb 1.87 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 63.71 1yub h SER 237 CO -0.38 0.69 0.01 0.22 -0.53 0.00 0.00 176.83 176.84 1yub h TYR 238 N 0.18 0.00 0.00 2.24 5.03 0.20 0.52 116.97 125.14 1yub h TYR 238 Ca 0.06 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.27 1yub h TYR 238 Cb 0.49 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.75 1yub h TYR 238 CO 0.05 0.00 -0.46 -0.07 -1.32 0.00 0.00 178.16 176.36 1yub h LEU 239 N 0.00 0.00 0.00 2.82 -0.00 -0.57 -1.85 115.31 115.70 1yub h LEU 239 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1yub h LEU 239 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1yub h LEU 239 CO -0.00 0.46 -0.61 0.18 -0.00 0.00 0.00 178.44 178.47 1yub n LEU 240 N -3.50 0.63 -0.10 1.67 4.32 0.09 -3.50 117.00 116.61 1yub n LEU 240 Ca 0.00 0.17 -0.11 0.00 -0.02 0.00 0.00 56.01 56.04 1yub n LEU 240 Cb 0.58 -0.20 -0.15 0.00 -1.62 0.00 0.00 43.42 42.03 1yub n LEU 240 CO 0.38 -0.01 -1.17 0.49 -1.22 0.00 0.00 177.39 175.87 1yub n PHE 241 N -1.95 0.04 0.00 -1.77 3.72 -0.66 -4.79 117.46 112.05 1yub n PHE 241 Ca 0.04 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1yub n PHE 241 Cb 0.41 -1.01 0.00 0.00 -0.94 0.00 0.00 39.48 37.95 1yub n PHE 241 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1yub n ASN 242 N -2.85 0.00 0.00 4.37 4.13 -0.71 -5.04 115.26 115.17 1yub n ASN 242 Ca -0.35 0.00 0.00 0.00 1.68 0.00 0.00 54.58 55.91 1yub n ASN 242 Cb 1.13 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.37 1yub n ASN 242 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1yub n GLY 243 N 2.81 0.00 0.26 7.41 0.00 -1.25 -5.02 105.19 109.41 1yub n GLY 243 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1yub n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yub n ARG 244 N 0.00 2.05 0.00 1.61 3.00 -1.24 -5.12 116.66 116.96 1yub n ARG 244 Ca 0.00 -2.39 0.00 0.00 -0.01 0.00 0.00 57.85 55.45 1yub n ARG 244 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 32.46 31.00 1yub n ARG 244 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80