#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ybj s PHE 2 N 0.00 3.45 0.21 0.00 5.36 -1.09 -3.79 117.98 122.12 1ybj s PHE 2 Ca 0.00 1.11 -0.23 0.00 -0.96 0.00 0.00 56.93 56.85 1ybj s PHE 2 Cb 0.00 -2.44 0.04 0.00 -0.34 0.00 0.00 43.02 40.28 1ybj s PHE 2 CO 0.00 0.22 0.79 -1.12 -1.46 0.00 0.00 175.22 173.65 1ybj s SER 3 N -2.16 -0.27 -0.13 6.13 0.01 0.13 -4.64 113.70 112.76 1ybj s SER 3 Ca 0.49 -0.45 -0.20 0.00 1.31 0.00 0.00 55.95 57.10 1ybj s SER 3 Cb -0.12 0.62 -0.04 0.00 0.21 0.00 0.00 66.02 66.70 1ybj s SER 3 CO 0.19 -1.13 0.57 0.54 0.41 0.00 0.00 173.24 173.82 1ybj s VAL 4 N -3.66 5.11 -0.77 3.43 0.11 -1.26 -2.09 120.40 121.26 1ybj s VAL 4 Ca 0.10 1.13 -0.01 0.00 -2.93 0.00 0.00 61.98 60.27 1ybj s VAL 4 Cb -0.04 -3.90 0.36 0.00 -1.53 0.00 0.00 36.38 31.27 1ybj s VAL 4 CO 0.03 0.25 1.85 0.59 -3.33 0.00 0.00 175.10 174.49 1ybj n ASN 5 N 4.07 6.99 -4.78 3.54 3.02 0.57 -4.87 115.26 123.80 1ybj n ASN 5 Ca -0.04 -3.82 -0.34 0.00 -0.03 0.00 0.00 54.58 50.35 1ybj n ASN 5 Cb 0.51 -0.95 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 1ybj n ASN 5 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1ybj s TYR 6 N -3.97 2.77 -0.44 3.10 1.13 -1.26 -0.70 117.35 117.99 1ybj s TYR 6 Ca 0.51 1.55 -0.27 0.00 -1.41 0.00 0.00 57.07 57.45 1ybj s TYR 6 Cb 0.43 -3.18 -0.05 0.00 -1.10 0.00 0.00 41.96 38.05 1ybj s TYR 6 CO -0.37 -1.37 2.23 0.34 -2.51 0.00 0.00 175.55 173.87 1ybj s ASP 7 N -2.07 4.91 0.00 -0.18 2.15 -1.25 -4.77 116.67 115.45 1ybj s ASP 7 Ca 0.69 1.16 0.00 0.00 0.43 0.00 0.00 52.55 54.83 1ybj s ASP 7 Cb -0.21 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 1ybj s ASP 7 CO 0.29 -2.50 0.64 -0.24 -0.17 0.00 0.00 175.17 173.19 1ybj n SER 8 N 14.02 -1.28 0.00 -0.34 2.88 -1.26 -1.85 113.62 125.79 1ybj n SER 8 Ca 0.31 -0.86 0.00 0.00 -1.33 0.00 0.00 58.87 56.99 1ybj n SER 8 Cb 0.52 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 1ybj n SER 8 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ybj n SER 9 N 3.15 0.00 -1.60 -3.46 2.88 -1.26 -4.94 113.62 108.39 1ybj n SER 9 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 1ybj n SER 9 Cb 0.32 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 64.10 1ybj n SER 9 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1ybj n PHE 10 N -0.17 1.64 -0.91 0.66 3.72 -0.77 -4.79 117.46 116.85 1ybj n PHE 10 Ca 0.00 -0.57 -0.26 0.00 -0.05 0.00 0.00 57.45 56.57 1ybj n PHE 10 Cb 0.00 -0.42 -0.03 0.00 -0.94 0.00 0.00 39.48 38.09 1ybj n PHE 10 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ybj n GLY 11 N 0.51 3.41 0.24 1.37 0.00 -1.26 -2.55 105.19 106.91 1ybj n GLY 11 Ca 0.22 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1ybj n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ybj n GLY 12 N 3.62 0.68 3.84 -0.02 0.00 -1.26 -3.68 105.19 108.37 1ybj n GLY 12 Ca 0.54 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.18 1ybj n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ybj s TYR 13 N 0.00 3.72 0.16 1.61 1.51 -1.06 -4.78 117.35 118.52 1ybj s TYR 13 Ca 0.00 0.97 -0.31 0.00 -1.01 0.00 0.00 57.07 56.72 1ybj s TYR 13 Cb 0.00 -2.27 -0.09 0.00 -0.11 0.00 0.00 41.96 39.49 1ybj s TYR 13 CO 0.00 0.64 1.42 -1.12 -1.11 0.00 0.00 175.55 175.39 1ybj s SER 14 N -1.05 6.76 0.21 2.29 0.01 -1.22 0.83 113.70 121.53 1ybj s SER 14 Ca 0.23 2.46 -0.15 0.00 1.31 0.00 0.00 55.95 59.79 1ybj s SER 14 Cb -0.16 -2.60 0.23 0.00 0.21 0.00 0.00 66.02 63.69 1ybj s SER 14 CO 0.13 -0.68 1.60 0.40 0.41 0.00 0.00 173.24 175.10 1ybj h ILE 15 N 4.00 0.24 -0.68 1.44 1.08 -0.97 0.49 117.51 123.11 1ybj h ILE 15 Ca -0.43 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.14 1ybj h ILE 15 Cb 1.21 0.24 -0.04 0.00 -3.07 0.00 0.00 36.82 35.15 1ybj h ILE 15 CO 0.85 0.00 0.45 -0.74 -0.69 0.00 0.00 178.15 178.02 1ybj h HIS 16 N -0.06 0.57 0.29 1.37 2.76 -1.66 -2.02 115.15 116.39 1ybj h HIS 16 Ca 0.30 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.47 1ybj h HIS 16 Cb 0.53 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.31 1ybj h HIS 16 CO -0.60 0.26 -0.14 0.22 -1.30 0.00 0.00 177.93 176.38 1ybj h ASP 17 N 0.53 -0.33 -0.42 3.26 1.82 -0.25 -1.24 116.42 119.80 1ybj h ASP 17 Ca 0.32 -0.10 -0.14 0.00 -0.39 0.00 0.00 57.03 56.72 1ybj h ASP 17 Cb 0.53 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.61 1ybj h ASP 17 CO -0.10 -0.10 -0.29 0.22 -1.61 0.00 0.00 179.24 177.36 1ybj h TYR 18 N -0.55 1.11 -0.94 0.28 3.20 -1.33 -2.34 116.97 116.40 1ybj h TYR 18 Ca -0.04 -0.30 0.07 0.00 3.14 0.00 0.00 58.73 61.61 1ybj h TYR 18 Cb 0.40 -0.25 -0.07 0.00 1.54 0.00 0.00 36.73 38.36 1ybj h TYR 18 CO -0.01 1.12 0.59 -0.07 -1.64 0.00 0.00 178.16 178.14 1ybj h LEU 19 N 0.80 0.92 -0.76 2.82 3.38 -1.26 0.40 115.31 121.60 1ybj h LEU 19 Ca 0.09 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1ybj h LEU 19 Cb 0.87 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 1ybj h LEU 19 CO 0.08 0.57 0.42 1.23 0.09 0.00 0.00 178.44 180.83 1ybj h GLY 20 N 1.05 1.14 1.05 0.83 0.00 -1.06 -2.09 103.07 104.00 1ybj h GLY 20 Ca 0.42 -0.52 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1ybj h GLY 20 CO -0.19 0.50 0.42 -1.61 0.00 0.00 0.00 176.54 175.66 1ybj h GLN 21 N 1.06 1.22 -0.78 4.80 4.15 -0.28 -1.16 115.11 124.12 1ybj h GLN 21 Ca 0.27 -0.17 0.02 0.00 0.77 0.00 0.00 58.65 59.54 1ybj h GLN 21 Cb 0.04 -0.22 -0.04 0.00 0.21 0.00 0.00 27.48 27.46 1ybj h GLN 21 CO -0.04 0.93 0.51 2.35 -1.93 0.00 0.00 178.83 180.65 1ybj h TRP 22 N 1.21 0.95 0.00 3.99 7.01 -0.09 -1.21 115.95 127.82 1ybj h TRP 22 Ca 0.29 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.28 1ybj h TRP 22 Cb 0.10 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 26.84 1ybj h TRP 22 CO 0.01 0.57 -0.16 0.00 -2.79 0.00 0.00 178.44 176.07 1ybj h ALA 23 N 1.31 1.24 0.50 2.65 0.00 -0.67 -1.14 119.26 123.16 1ybj h ALA 23 Ca 0.30 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ybj h ALA 23 Cb -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1ybj h ALA 23 CO -0.09 0.20 -0.24 1.03 0.00 0.00 0.00 179.25 180.15 1ybj h SER 24 N 0.00 -0.57 0.07 0.00 0.87 -0.02 -1.28 113.55 112.61 1ybj h SER 24 Ca -0.00 -0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.48 1ybj h SER 24 Cb 0.44 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1ybj h SER 24 CO 0.02 -0.30 -0.12 0.71 -0.53 0.00 0.00 176.83 176.61 1ybj h THR 25 N -0.82 1.13 -0.90 2.23 1.35 -1.29 -1.78 112.91 112.83 1ybj h THR 25 Ca -0.07 -0.59 0.03 0.00 -0.55 0.00 0.00 66.41 65.23 1ybj h THR 25 Cb 0.58 1.20 -0.05 0.00 -1.73 0.00 0.00 68.15 68.15 1ybj h THR 25 CO 0.11 0.18 0.59 0.15 -0.25 0.00 0.00 175.52 176.30 1ybj h PHE 26 N 0.12 1.10 0.00 4.73 3.04 -0.97 -0.86 116.94 124.09 1ybj h PHE 26 Ca 0.03 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.00 1ybj h PHE 26 Cb 0.29 -0.37 0.00 0.00 2.56 0.00 0.00 35.95 38.43 1ybj h PHE 26 CO 0.00 0.64 0.00 0.78 -2.02 0.00 0.00 178.31 177.71 1ybj h GLY 27 N 1.15 0.00 -7.18 2.40 0.00 -0.36 -3.42 103.07 95.66 1ybj h GLY 27 Ca 0.36 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 47.25 1ybj h GLY 27 CO -0.11 0.00 1.10 0.99 0.00 0.00 0.00 176.54 178.51 1ybj s ASP 28 N -5.43 5.78 0.00 0.19 1.11 -0.33 -4.82 116.67 113.17 1ybj s ASP 28 Ca 0.03 -1.01 0.06 0.00 0.18 0.00 0.00 52.55 51.81 1ybj s ASP 28 Cb 0.09 -2.56 0.33 0.00 1.07 0.00 0.00 42.92 41.84 1ybj s ASP 28 CO 0.54 -2.16 0.79 1.33 1.18 0.00 0.00 175.17 176.84 1ybj n VAL 29 N 7.39 0.00 0.21 -1.27 0.24 -1.26 -3.16 118.33 120.48 1ybj n VAL 29 Ca 0.36 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.78 1ybj n VAL 29 Cb 0.49 -0.89 0.16 0.00 -1.47 0.00 0.00 33.84 32.12 1ybj n VAL 29 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1ybj h ASN 30 N 0.00 0.00 0.00 -1.34 7.08 -1.87 -3.42 115.58 116.03 1ybj h ASN 30 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1ybj h ASN 30 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1ybj h ASN 30 CO 0.00 0.02 0.00 1.57 -2.08 0.00 0.00 177.43 176.94 1ybj n HIS 31 N -3.09 0.00 -3.13 4.14 -0.00 -1.19 -4.95 115.22 107.01 1ybj n HIS 31 Ca 0.04 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.37 1ybj n HIS 31 Cb 0.54 -0.87 -0.05 0.00 -0.00 0.00 0.00 29.99 29.60 1ybj n HIS 31 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 1ybj s THR 32 N -1.67 4.91 -0.30 3.57 -4.23 -1.26 -4.95 115.64 111.71 1ybj s THR 32 Ca 0.00 1.36 -0.15 0.00 -1.18 0.00 0.00 61.69 61.72 1ybj s THR 32 Cb 0.00 -3.99 0.15 0.00 1.34 0.00 0.00 72.50 70.00 1ybj s THR 32 CO 0.00 0.37 0.94 0.21 -0.54 0.00 0.00 174.62 175.60 1ybj s ASN 33 N 0.06 -0.63 0.00 3.99 3.84 -1.26 -5.04 114.94 115.91 1ybj s ASN 33 Ca 0.34 0.91 0.14 0.00 0.21 0.00 0.00 52.86 54.46 1ybj s ASN 33 Cb -0.18 1.56 0.69 0.00 -0.55 0.00 0.00 41.25 42.77 1ybj s ASN 33 CO 0.18 -0.13 1.41 0.61 -2.79 0.00 0.00 177.10 176.38 1ybj n GLY 34 N 4.57 -0.82 0.16 1.21 0.00 -1.26 -2.59 105.19 106.46 1ybj n GLY 34 Ca -0.13 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 45.87 1ybj n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ybj n ASN 35 N -1.34 0.99 -4.52 1.61 3.02 -1.26 -4.96 115.26 108.79 1ybj n ASN 35 Ca 0.06 -0.99 -0.38 0.00 -0.03 0.00 0.00 54.58 53.24 1ybj n ASN 35 Cb 0.13 0.53 -0.12 0.00 -0.61 0.00 0.00 39.78 39.71 1ybj n ASN 35 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ybj s VAL 36 N -1.23 4.91 -0.05 2.41 1.01 -1.07 -4.78 120.40 121.61 1ybj s VAL 36 Ca 0.06 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.91 1ybj s VAL 36 Cb 0.06 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 1ybj s VAL 36 CO 0.21 0.23 -0.15 0.35 0.00 0.00 0.00 175.10 175.74 1ybj n THR 37 N 5.01 1.00 0.00 3.92 -2.24 -1.26 -4.85 114.28 115.86 1ybj n THR 37 Ca -0.14 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1ybj n THR 37 Cb 0.51 -1.84 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 1ybj n THR 37 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ybj n ASP 38 N -3.63 0.00 -2.19 3.42 9.92 -1.26 -5.05 116.55 117.75 1ybj n ASP 38 Ca -0.06 0.47 -0.01 0.00 -0.53 0.00 0.00 54.79 54.65 1ybj n ASP 38 Cb 0.23 -0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.34 1ybj n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ybj n ALA 39 N -1.60 -3.20 -2.05 2.24 0.00 -0.58 -5.01 120.51 110.32 1ybj n ALA 39 Ca 0.00 0.39 -0.31 0.00 0.00 0.00 0.00 53.44 53.52 1ybj n ALA 39 Cb 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 1ybj n ALA 39 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1ybj s ASN 40 N -1.20 6.58 0.02 0.00 0.01 -0.43 -4.84 114.94 115.07 1ybj s ASN 40 Ca 0.04 1.31 -0.09 0.00 -0.71 0.00 0.00 52.86 53.42 1ybj s ASN 40 Cb -0.01 -2.40 -0.31 0.00 0.41 0.00 0.00 41.25 38.94 1ybj s ASN 40 CO 0.43 -0.46 0.93 0.28 -1.51 0.00 0.00 177.10 176.77 1ybj h SER 41 N 1.18 0.59 0.00 -1.22 0.02 -1.92 -3.39 113.55 108.80 1ybj h SER 41 Ca -0.47 -0.71 0.00 0.00 -0.84 0.00 0.00 61.79 59.77 1ybj h SER 41 Cb 1.19 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1ybj h SER 41 CO 0.63 1.57 0.00 0.61 -1.14 0.00 0.00 176.83 178.50 1ybj n GLY 42 N 1.69 0.49 0.00 -3.77 0.00 -1.26 -1.35 105.19 100.99 1ybj n GLY 42 Ca -0.16 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1ybj n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ybj n GLY 43 N -0.19 0.32 3.32 -0.02 0.00 0.31 -4.80 105.19 104.13 1ybj n GLY 43 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1ybj n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ybj n PHE 44 N 0.00 -2.52 0.21 1.61 3.72 -0.98 -4.76 117.46 114.75 1ybj n PHE 44 Ca 0.00 0.88 0.09 0.00 -0.05 0.00 0.00 57.45 58.37 1ybj n PHE 44 Cb 0.00 -3.85 0.38 0.00 -0.94 0.00 0.00 39.48 35.07 1ybj n PHE 44 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1ybj h TYR 45 N -0.56 0.00 0.00 1.38 5.03 -1.61 -3.15 116.97 118.07 1ybj h TYR 45 Ca -0.38 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.93 1ybj h TYR 45 Cb 1.21 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.49 1ybj h TYR 45 CO 0.26 0.26 -0.19 0.78 -1.32 0.00 0.00 178.16 177.95 1ybj h GLY 46 N 2.37 0.00 0.00 1.82 0.00 -1.59 -3.47 103.07 102.20 1ybj h GLY 46 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ybj h GLY 46 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1ybj n GLY 47 N 1.13 -0.80 0.11 4.60 0.00 -0.92 -4.74 105.19 104.56 1ybj n GLY 47 Ca 0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 1ybj n GLY 47 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ybj h SER 48 N 0.00 0.04 0.00 1.61 0.02 -1.95 -3.40 113.55 109.86 1ybj h SER 48 Ca 0.00 -0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.80 1ybj h SER 48 Cb 0.00 -0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.42 1ybj h SER 48 CO 0.00 0.78 -0.18 0.00 -1.14 0.00 0.00 176.83 176.29 1ybj n LEU 49 N -3.66 -1.04 -3.84 5.07 -0.00 -1.26 -4.99 117.00 107.28 1ybj n LEU 49 Ca -0.01 -2.53 -0.05 0.00 -0.00 0.00 0.00 56.01 53.41 1ybj n LEU 49 Cb 0.73 0.38 0.02 0.00 -0.00 0.00 0.00 43.42 44.55 1ybj n LEU 49 CO 0.44 1.50 0.68 -0.94 -0.00 0.00 0.00 177.39 179.08 1ybj s SER 50 N -0.77 -0.02 0.00 1.45 1.04 -1.26 -1.10 113.70 113.04 1ybj s SER 50 Ca 0.07 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1ybj s SER 50 Cb 0.30 0.64 0.00 0.00 0.10 0.00 0.00 66.02 67.06 1ybj s SER 50 CO -0.09 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.48 1ybj n GLY 51 N -0.61 -1.10 3.70 7.32 0.00 -1.05 -2.17 105.19 111.29 1ybj n GLY 51 Ca -0.05 -2.12 -0.39 0.00 0.00 0.00 0.00 46.02 43.46 1ybj n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ybj s SER 52 N -4.00 6.82 0.00 1.61 0.01 -1.26 -3.46 113.70 113.42 1ybj s SER 52 Ca 0.00 0.99 0.00 0.00 1.31 0.00 0.00 55.95 58.25 1ybj s SER 52 Cb 0.00 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.87 1ybj s SER 52 CO 0.00 -0.15 0.00 1.67 0.41 0.00 0.00 173.24 175.17 1ybj n GLN 53 N 4.23 0.00 -3.41 12.44 7.27 -1.25 -3.70 117.38 132.98 1ybj n GLN 53 Ca -0.02 0.49 -0.44 0.00 0.07 0.00 0.00 57.00 57.10 1ybj n GLN 53 Cb 0.51 -0.71 -0.07 0.00 2.41 0.00 0.00 30.24 32.38 1ybj n GLN 53 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 1ybj s TYR 54 N 0.00 3.29 0.29 3.69 5.04 0.12 -2.32 117.35 127.46 1ybj s TYR 54 Ca 0.00 -1.35 -0.08 0.00 -2.44 0.00 0.00 57.07 53.20 1ybj s TYR 54 Cb 0.00 -3.52 -0.06 0.00 0.35 0.00 0.00 41.96 38.73 1ybj s TYR 54 CO 0.00 -0.95 0.59 0.00 -1.34 0.00 0.00 175.55 173.85 1ybj s ALA 55 N 1.54 3.55 -0.11 3.97 0.00 -1.26 -1.36 121.76 128.09 1ybj s ALA 55 Ca 0.04 -0.37 -0.07 0.00 0.00 0.00 0.00 51.96 51.56 1ybj s ALA 55 Cb -0.27 -2.43 0.04 0.00 0.00 0.00 0.00 23.12 20.46 1ybj s ALA 55 CO 0.03 0.30 0.26 0.42 0.00 0.00 0.00 175.76 176.78 1ybj s ILE 56 N -2.03 -0.03 0.11 0.00 -1.09 0.64 -0.53 121.20 118.28 1ybj s ILE 56 Ca 0.47 0.10 0.10 0.00 -2.23 0.00 0.00 60.65 59.09 1ybj s ILE 56 Cb -0.11 -0.40 -0.04 0.00 -1.58 0.00 0.00 42.46 40.34 1ybj s ILE 56 CO 0.26 0.04 -0.25 -0.55 -1.23 0.00 0.00 174.94 173.22 1ybj s SER 57 N 0.95 3.01 -0.29 3.58 0.15 -0.46 0.52 113.70 121.18 1ybj s SER 57 Ca -0.07 -0.71 -0.40 0.00 0.70 0.00 0.00 55.95 55.48 1ybj s SER 57 Cb -0.08 -0.20 -0.15 0.00 -1.71 0.00 0.00 66.02 63.88 1ybj s SER 57 CO -0.06 0.15 1.78 -0.24 1.20 0.00 0.00 173.24 176.06 1ybj n SER 58 N 1.08 2.37 0.01 5.45 2.88 0.26 -4.77 113.62 120.90 1ybj n SER 58 Ca -0.18 1.04 0.05 0.00 -1.33 0.00 0.00 58.87 58.45 1ybj n SER 58 Cb 0.53 -1.14 0.23 0.00 -0.75 0.00 0.00 64.21 63.07 1ybj n SER 58 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ybj n THR 59 N 4.77 1.31 -0.08 2.46 -2.24 -1.26 0.14 114.28 119.38 1ybj n THR 59 Ca 0.28 0.34 -0.17 0.00 -2.27 0.00 0.00 64.05 62.22 1ybj n THR 59 Cb 0.13 -1.18 -0.12 0.00 -2.10 0.00 0.00 70.33 67.06 1ybj n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ybj h ALA 60 N 2.32 0.10 0.00 6.98 0.00 -1.87 -3.42 119.26 123.37 1ybj h ALA 60 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1ybj h ALA 60 Cb 0.17 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ybj h ALA 60 CO 0.00 0.28 0.00 0.27 0.00 0.00 0.00 179.25 179.80 1ybj n ASN 61 N -4.53 0.38 -3.69 0.00 0.23 -1.11 -4.67 115.26 101.87 1ybj n ASN 61 Ca -0.19 -0.74 -0.25 0.00 -0.53 0.00 0.00 54.58 52.88 1ybj n ASN 61 Cb 0.57 0.23 -0.06 0.00 -2.08 0.00 0.00 39.78 38.44 1ybj n ASN 61 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ybj n GLN 62 N -0.23 -0.89 0.02 -3.83 6.02 0.38 -4.65 117.38 114.20 1ybj n GLN 62 Ca 0.00 0.08 -0.01 0.00 -0.01 0.00 0.00 57.00 57.06 1ybj n GLN 62 Cb 0.06 -2.83 -0.00 0.00 1.02 0.00 0.00 30.24 28.48 1ybj n GLN 62 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1ybj n VAL 63 N -3.24 0.85 -1.66 5.09 0.31 -1.26 -4.68 118.33 113.75 1ybj n VAL 63 Ca -0.08 0.27 -0.38 0.00 -0.01 0.00 0.00 64.34 64.13 1ybj n VAL 63 Cb 0.40 -1.50 -0.03 0.00 -0.91 0.00 0.00 33.84 31.80 1ybj n VAL 63 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1ybj s THR 64 N -1.76 3.08 0.46 2.52 2.01 -1.26 0.29 115.64 120.98 1ybj s THR 64 Ca -0.03 0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.04 1ybj s THR 64 Cb 0.00 -3.17 0.02 0.00 0.01 0.00 0.00 72.50 69.36 1ybj s THR 64 CO 0.05 -0.15 0.16 0.00 -0.69 0.00 0.00 174.62 173.99 1ybj n ALA 65 N 14.37 0.54 -3.65 7.40 0.00 0.20 -0.57 120.51 138.79 1ybj n ALA 65 Ca 0.32 -1.97 -0.06 0.00 0.00 0.00 0.00 53.44 51.74 1ybj n ALA 65 Cb 0.52 0.96 -0.07 0.00 0.00 0.00 0.00 19.45 20.86 1ybj n ALA 65 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ybj s PHE 66 N -2.50 -1.04 -0.33 0.00 5.36 0.19 -2.60 117.98 117.05 1ybj s PHE 66 Ca 0.12 1.99 -0.07 0.00 -0.96 0.00 0.00 56.93 58.01 1ybj s PHE 66 Cb -0.01 0.59 0.03 0.00 -0.34 0.00 0.00 43.02 43.29 1ybj s PHE 66 CO 0.08 -0.53 0.11 0.08 -1.46 0.00 0.00 175.22 173.49 1ybj s VAL 67 N 2.07 3.92 -0.49 3.12 1.01 0.74 -0.26 120.40 130.51 1ybj s VAL 67 Ca -0.08 -0.99 -0.22 0.00 0.00 0.00 0.00 61.98 60.70 1ybj s VAL 67 Cb -0.08 -3.16 0.04 0.00 0.00 0.00 0.00 36.38 33.17 1ybj s VAL 67 CO -0.18 -0.12 0.75 0.00 0.00 0.00 0.00 175.10 175.55 1ybj s ALA 68 N 1.44 3.30 -0.30 5.51 0.00 -0.46 -1.11 121.76 130.14 1ybj s ALA 68 Ca -0.00 -1.32 -0.19 0.00 0.00 0.00 0.00 51.96 50.46 1ybj s ALA 68 Cb -0.19 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 1ybj s ALA 68 CO 0.03 -2.03 0.56 0.20 0.00 0.00 0.00 175.76 174.52 1ybj s GLY 69 N 2.43 1.81 0.00 0.00 0.00 0.29 -0.70 107.32 111.15 1ybj s GLY 69 Ca 0.24 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.25 1ybj s GLY 69 CO 0.18 1.33 0.00 0.61 0.00 0.00 0.00 173.10 175.22 1ybj n GLY 70 N 4.50 0.90 2.64 0.20 0.00 -1.26 -0.35 105.19 111.82 1ybj n GLY 70 Ca -0.03 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 1ybj n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ybj n ASN 71 N 0.00 2.09 -4.78 1.61 3.02 -0.18 -3.80 115.26 113.22 1ybj n ASN 71 Ca 0.00 -2.77 -0.35 0.00 -0.03 0.00 0.00 54.58 51.43 1ybj n ASN 71 Cb 0.00 -0.50 -0.00 0.00 -0.61 0.00 0.00 39.78 38.67 1ybj n ASN 71 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ybj s LEU 72 N -3.33 3.77 -0.21 3.41 1.43 -1.22 -2.19 118.68 120.34 1ybj s LEU 72 Ca 0.31 2.15 -0.17 0.00 -1.03 0.00 0.00 54.13 55.39 1ybj s LEU 72 Cb 0.42 -4.57 0.06 0.00 0.03 0.00 0.00 46.19 42.13 1ybj s LEU 72 CO -0.01 -1.16 0.54 -0.89 0.23 0.00 0.00 176.35 175.06 1ybj s THR 73 N -1.79 -0.00 -0.19 5.49 2.01 -0.41 -2.53 115.64 118.21 1ybj s THR 73 Ca 0.72 0.02 -0.21 0.00 0.31 0.00 0.00 61.69 62.53 1ybj s THR 73 Cb -0.23 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 1ybj s THR 73 CO 0.26 0.01 0.63 -0.47 -0.69 0.00 0.00 174.62 174.36 1ybj s TYR 74 N 0.63 3.38 0.26 4.92 6.14 -0.25 -1.15 117.35 131.27 1ybj s TYR 74 Ca -0.03 0.93 0.05 0.00 0.64 0.00 0.00 57.07 58.66 1ybj s TYR 74 Cb -0.05 -2.79 0.32 0.00 0.42 0.00 0.00 41.96 39.86 1ybj s TYR 74 CO -0.04 -0.16 1.61 1.79 0.64 0.00 0.00 175.55 179.39 1ybj h THR 75 N 5.17 1.36 0.00 4.34 1.35 -0.46 -3.47 112.91 121.20 1ybj h THR 75 Ca -0.32 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.72 1ybj h THR 75 Cb 1.14 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 1ybj h THR 75 CO 0.77 0.54 0.00 0.00 -0.25 0.00 0.00 175.52 176.58 1ybj n LEU 76 N -3.92 0.00 -0.93 3.87 -0.00 -1.26 -1.01 117.00 113.75 1ybj n LEU 76 Ca -0.02 0.00 0.10 0.00 -0.00 0.00 0.00 56.01 56.09 1ybj n LEU 76 Cb 0.57 0.00 0.26 0.00 -0.00 0.00 0.00 43.42 44.25 1ybj n LEU 76 CO 0.43 0.00 0.72 2.22 -0.00 0.00 0.00 177.39 180.76 1ybj n PHE 77 N 0.00 0.53 -1.70 1.47 -1.74 -1.26 -0.72 117.46 114.05 1ybj n PHE 77 Ca 0.00 -0.27 -0.30 0.00 -0.56 0.00 0.00 57.45 56.33 1ybj n PHE 77 Cb 0.00 0.00 0.19 0.00 1.52 0.00 0.00 39.48 41.19 1ybj n PHE 77 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 1ybj s ASN 78 N -1.27 2.75 0.08 5.98 0.01 -0.18 -4.90 114.94 117.41 1ybj s ASN 78 Ca 0.36 0.46 -0.23 0.00 -0.71 0.00 0.00 52.86 52.73 1ybj s ASN 78 Cb 0.19 -0.63 -0.09 0.00 0.41 0.00 0.00 41.25 41.13 1ybj s ASN 78 CO 0.27 -2.97 1.38 -0.33 -1.51 0.00 0.00 177.10 173.93 1ybj h GLU 79 N -1.80 -0.39 -0.77 -0.60 5.08 -1.91 -0.91 114.58 113.29 1ybj h GLU 79 Ca -0.45 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.05 1ybj h GLU 79 Cb 1.26 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.55 1ybj h GLU 79 CO 0.42 -0.26 0.50 -1.35 -1.00 0.00 0.00 179.01 177.32 1ybj h PRO 80 N -0.40 0.60 -1.70 2.33 0.11 -1.90 -3.48 132.00 127.56 1ybj h PRO 80 Ca 0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1ybj h PRO 80 Cb 0.47 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.44 1ybj h PRO 80 CO -0.30 0.40 -0.37 0.00 -0.21 0.00 0.00 178.00 177.52 1ybj n ALA 81 N -2.47 -2.63 -4.05 -0.75 0.00 -0.35 -4.79 120.51 105.47 1ybj n ALA 81 Ca 0.13 0.18 -0.43 0.00 0.00 0.00 0.00 53.44 53.33 1ybj n ALA 81 Cb 0.38 -0.87 0.02 0.00 0.00 0.00 0.00 19.45 18.98 1ybj n ALA 81 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1ybj n HIS 82 N 0.03 -1.25 -4.07 0.00 1.44 0.11 -4.84 115.22 106.63 1ybj n HIS 82 Ca 0.00 0.06 -0.10 0.00 -2.01 0.00 0.00 57.72 55.67 1ybj n HIS 82 Cb 0.00 -2.49 -0.09 0.00 0.12 0.00 0.00 29.99 27.54 1ybj n HIS 82 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1ybj s THR 83 N -3.65 0.08 0.04 0.61 -4.23 -1.26 -4.89 115.64 102.34 1ybj s THR 83 Ca 0.44 -1.69 0.03 0.00 -1.18 0.00 0.00 61.69 59.29 1ybj s THR 83 Cb -0.25 -1.99 -0.04 0.00 1.34 0.00 0.00 72.50 71.57 1ybj s THR 83 CO 0.88 -0.36 -0.02 -0.22 -0.54 0.00 0.00 174.62 174.37 1ybj s LEU 84 N -3.02 3.42 0.00 4.79 2.96 -1.26 0.32 118.68 125.89 1ybj s LEU 84 Ca 0.22 -0.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.02 1ybj s LEU 84 Cb 0.06 -2.05 0.00 0.00 0.50 0.00 0.00 46.19 44.70 1ybj s LEU 84 CO 0.02 0.23 0.00 0.00 -1.32 0.00 0.00 176.35 175.28 1ybj n TYR 85 N 1.07 -0.05 -0.21 5.38 4.11 -0.30 -4.44 117.16 122.72 1ybj n TYR 85 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.77 1ybj n TYR 85 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.86 1ybj n TYR 85 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1ybj n GLY 86 N 0.00 -1.76 3.92 -7.48 0.00 -0.36 -1.29 105.19 98.22 1ybj n GLY 86 Ca 0.00 -2.01 -0.26 0.00 0.00 0.00 0.00 46.02 43.75 1ybj n GLY 86 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ybj s GLN 87 N 0.00 3.55 -0.19 1.61 -0.44 -0.93 -0.48 119.66 122.77 1ybj s GLN 87 Ca 0.00 -0.13 -0.04 0.00 -2.50 0.00 0.00 55.36 52.68 1ybj s GLN 87 Cb 0.00 -2.62 0.08 0.00 -1.64 0.00 0.00 33.01 28.84 1ybj s GLN 87 CO 0.00 0.12 0.19 -1.17 0.50 0.00 0.00 175.29 174.93 1ybj s LEU 88 N -4.10 0.01 0.00 3.68 2.96 0.13 -1.01 118.68 120.36 1ybj s LEU 88 Ca 0.42 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.02 1ybj s LEU 88 Cb -0.10 0.22 0.00 0.00 0.50 0.00 0.00 46.19 46.80 1ybj s LEU 88 CO 0.35 -0.33 0.00 -0.67 -1.32 0.00 0.00 176.35 174.38 1ybj n ASP 89 N 5.31 3.37 -4.19 3.68 2.03 -0.74 -0.16 116.55 125.85 1ybj n ASP 89 Ca -0.06 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.14 1ybj n ASP 89 Cb 0.49 0.38 -0.10 0.00 -0.72 0.00 0.00 41.12 41.17 1ybj n ASP 89 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1ybj s SER 90 N -2.23 1.28 0.13 1.67 0.15 0.53 0.21 113.70 115.44 1ybj s SER 90 Ca 0.00 -1.01 -0.06 0.00 0.70 0.00 0.00 55.95 55.58 1ybj s SER 90 Cb 0.00 0.07 -0.02 0.00 -1.71 0.00 0.00 66.02 64.36 1ybj s SER 90 CO 0.00 -0.44 0.17 -0.76 1.20 0.00 0.00 173.24 173.40 1ybj s LEU 91 N -3.08 1.45 -0.30 3.45 2.01 0.84 -0.55 118.68 122.50 1ybj s LEU 91 Ca 0.13 -0.94 -0.02 0.00 0.01 0.00 0.00 54.13 53.32 1ybj s LEU 91 Cb 0.05 0.80 0.19 0.00 0.01 0.00 0.00 46.19 47.24 1ybj s LEU 91 CO -0.03 -0.78 0.69 -0.55 1.01 0.00 0.00 176.35 176.68 1ybj s SER 92 N -2.97 -1.26 -0.13 2.29 0.15 -0.27 -0.09 113.70 111.43 1ybj s SER 92 Ca 0.16 0.57 -0.11 0.00 0.70 0.00 0.00 55.95 57.27 1ybj s SER 92 Cb 0.05 1.97 -0.05 0.00 -1.71 0.00 0.00 66.02 66.29 1ybj s SER 92 CO -0.03 -0.23 0.23 -0.36 1.20 0.00 0.00 173.24 174.05 1ybj s PHE 93 N 2.87 3.54 -0.20 3.44 0.08 -0.29 -0.19 117.98 127.24 1ybj s PHE 93 Ca 0.15 0.59 -0.36 0.00 0.12 0.00 0.00 56.93 57.44 1ybj s PHE 93 Cb -0.12 -2.17 0.14 0.00 -0.57 0.00 0.00 43.02 40.30 1ybj s PHE 93 CO -0.21 0.48 1.26 0.20 -0.10 0.00 0.00 175.22 176.86 1ybj s GLY 94 N -0.31 -0.28 -0.44 4.36 0.00 -1.07 -2.75 107.32 106.83 1ybj s GLY 94 Ca 0.16 1.61 -0.24 0.00 0.00 0.00 0.00 44.72 46.24 1ybj s GLY 94 CO 0.04 0.52 0.84 0.99 0.00 0.00 0.00 173.10 175.50 1ybj s ASP 95 N -2.21 6.48 0.00 1.64 1.11 -1.18 -0.63 116.67 121.88 1ybj s ASP 95 Ca 0.10 0.07 0.00 0.00 0.18 0.00 0.00 52.55 52.90 1ybj s ASP 95 Cb -0.00 -2.42 0.00 0.00 1.07 0.00 0.00 42.92 41.57 1ybj s ASP 95 CO -0.04 -0.94 0.00 0.61 1.18 0.00 0.00 175.17 175.98 1ybj n GLY 96 N 4.88 -0.11 3.87 0.21 0.00 0.15 -2.31 105.19 111.87 1ybj n GLY 96 Ca 0.04 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 1ybj n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ybj s LEU 97 N 0.00 3.72 0.23 0.99 1.43 -1.26 0.23 118.68 124.02 1ybj s LEU 97 Ca 0.00 1.28 -0.07 0.00 -1.03 0.00 0.00 54.13 54.31 1ybj s LEU 97 Cb 0.00 -4.19 -0.02 0.00 0.03 0.00 0.00 46.19 42.00 1ybj s LEU 97 CO 0.00 -0.49 0.31 -0.55 0.23 0.00 0.00 176.35 175.85 1ybj s SER 98 N -3.22 0.05 0.70 2.29 0.15 0.75 -1.32 113.70 113.10 1ybj s SER 98 Ca 0.54 -1.17 0.00 0.00 0.70 0.00 0.00 55.95 56.02 1ybj s SER 98 Cb -0.10 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1ybj s SER 98 CO 0.33 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 174.38 1ybj n GLY 99 N -0.33 0.57 1.77 9.45 0.00 -1.26 -1.59 105.19 113.79 1ybj n GLY 99 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1ybj n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ybj n GLY 100 N 0.00 0.60 0.00 -0.02 0.00 -1.24 -4.98 105.19 99.54 1ybj n GLY 100 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1ybj n GLY 100 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ybj n ASP 101 N 1.77 0.00 -0.91 1.61 8.00 -1.26 -4.83 116.55 120.93 1ybj n ASP 101 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 1ybj n ASP 101 Cb 0.48 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.75 1ybj n ASP 101 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1ybj n THR 102 N 0.00 0.51 -4.39 -3.53 -2.24 -1.26 -4.97 114.28 98.41 1ybj n THR 102 Ca 0.00 -0.76 -0.19 0.00 -2.27 0.00 0.00 64.05 60.83 1ybj n THR 102 Cb 0.00 0.93 -0.10 0.00 -2.10 0.00 0.00 70.33 69.06 1ybj n THR 102 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ybj s SER 103 N -1.26 2.10 1.11 3.42 0.01 -1.26 -5.15 113.70 112.66 1ybj s SER 103 Ca 0.30 -1.30 -0.15 0.00 1.31 0.00 0.00 55.95 56.12 1ybj s SER 103 Cb 0.18 -0.03 0.24 0.00 0.21 0.00 0.00 66.02 66.62 1ybj s SER 103 CO 0.25 -0.55 1.08 -2.84 0.41 0.00 0.00 173.24 171.58 1ybj s PRO 104 N -3.88 -0.46 0.79 12.44 0.02 -1.26 -3.68 135.00 138.98 1ybj s PRO 104 Ca 0.33 0.35 -0.12 0.00 0.02 0.00 0.00 61.00 61.59 1ybj s PRO 104 Cb 0.07 -1.65 0.07 0.00 0.02 0.00 0.00 34.50 33.01 1ybj s PRO 104 CO 0.12 -3.29 1.10 0.71 -0.33 0.00 0.00 177.00 175.31 1ybj s TYR 105 N -2.88 2.88 -0.11 6.54 2.02 -1.26 -4.00 117.35 120.55 1ybj s TYR 105 Ca 0.68 1.11 -0.10 0.00 -0.37 0.00 0.00 57.07 58.39 1ybj s TYR 105 Cb -0.17 -3.14 0.03 0.00 -0.40 0.00 0.00 41.96 38.28 1ybj s TYR 105 CO 0.58 -1.73 0.28 -1.54 -1.57 0.00 0.00 175.55 171.57 1ybj s SER 106 N -3.99 -0.29 -0.04 2.29 1.04 -0.62 -4.96 113.70 107.11 1ybj s SER 106 Ca 0.61 0.56 -0.28 0.00 0.48 0.00 0.00 55.95 57.32 1ybj s SER 106 Cb -0.14 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 1ybj s SER 106 CO 0.54 -0.10 0.92 -0.63 0.98 0.00 0.00 173.24 174.95 1ybj s ILE 107 N 0.18 4.89 0.07 -1.02 1.09 -1.26 -0.18 121.20 124.97 1ybj s ILE 107 Ca -0.00 1.91 -0.21 0.00 -1.10 0.00 0.00 60.65 61.24 1ybj s ILE 107 Cb -0.02 -4.25 -0.12 0.00 -1.06 0.00 0.00 42.46 37.01 1ybj s ILE 107 CO 0.00 0.14 1.58 1.56 -0.10 0.00 0.00 174.94 178.12 1ybj h GLN 108 N 6.89 0.21 -3.54 2.79 4.20 -0.38 -3.30 115.11 121.98 1ybj h GLN 108 Ca -0.38 -0.05 -0.71 0.00 0.06 0.00 0.00 58.65 57.57 1ybj h GLN 108 Cb 1.20 -0.03 -0.34 0.00 0.30 0.00 0.00 27.48 28.60 1ybj h GLN 108 CO 0.78 0.35 -0.26 0.08 -0.67 0.00 0.00 178.83 179.11 1ybj s VAL 109 N -5.37 4.05 -0.72 -0.54 1.01 -0.98 -5.02 120.40 112.84 1ybj s VAL 109 Ca -0.14 -3.10 -0.26 0.00 0.00 0.00 0.00 61.98 58.49 1ybj s VAL 109 Cb 0.06 -3.59 -0.08 0.00 0.00 0.00 0.00 36.38 32.77 1ybj s VAL 109 CO 0.70 -0.94 2.22 -2.16 0.00 0.00 0.00 175.10 174.92 1ybj s PRO 110 N -0.31 2.09 0.00 2.72 0.04 -1.25 -3.10 135.00 135.20 1ybj s PRO 110 Ca 0.19 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1ybj s PRO 110 Cb -0.17 -4.74 0.00 0.00 0.04 0.00 0.00 34.50 29.63 1ybj s PRO 110 CO -0.06 -3.67 0.00 -0.25 0.04 0.00 0.00 177.00 173.06 1ybj n ASP 111 N 16.05 0.00 -4.62 6.66 8.00 -1.11 -4.21 116.55 137.31 1ybj n ASP 111 Ca 0.39 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.46 1ybj n ASP 111 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 1ybj n ASP 111 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ybj s VAL 112 N 1.64 3.14 0.53 2.53 1.01 -1.18 -3.94 120.40 124.14 1ybj s VAL 112 Ca 0.00 0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.22 1ybj s VAL 112 Cb 0.00 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.29 1ybj s VAL 112 CO 0.00 -0.07 0.63 -0.44 0.00 0.00 0.00 175.10 175.22 1ybj s SER 113 N 6.42 5.05 0.00 3.32 0.01 0.13 -1.13 113.70 127.50 1ybj s SER 113 Ca 0.91 -0.88 0.01 0.00 1.31 0.00 0.00 55.95 57.31 1ybj s SER 113 Cb -0.34 0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.01 1ybj s SER 113 CO 0.36 -1.15 -0.04 -0.36 0.41 0.00 0.00 173.24 172.46 1ybj s PHE 114 N -2.63 0.37 -0.24 2.43 0.40 0.87 -0.32 117.98 118.86 1ybj s PHE 114 Ca 0.53 -0.12 -0.13 0.00 -0.60 0.00 0.00 56.93 56.61 1ybj s PHE 114 Cb -0.05 -0.24 0.08 0.00 0.51 0.00 0.00 43.02 43.32 1ybj s PHE 114 CO 0.33 -0.02 0.57 0.20 0.70 0.00 0.00 175.22 177.00 1ybj s GLY 115 N -0.28 -0.51 0.00 4.36 0.00 -0.89 -0.11 107.32 109.89 1ybj s GLY 115 Ca -0.00 2.04 0.00 0.00 0.00 0.00 0.00 44.72 46.76 1ybj s GLY 115 CO -0.00 2.18 0.00 0.61 0.00 0.00 0.00 173.10 175.89 1ybj n GLY 116 N 4.42 1.28 0.29 0.20 0.00 0.13 0.17 105.19 111.68 1ybj n GLY 116 Ca -0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 1ybj n GLY 116 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ybj h LEU 117 N 0.00 -0.84 -1.59 0.99 -0.00 -1.72 -2.89 115.31 109.26 1ybj h LEU 117 Ca 0.00 0.16 -0.43 0.00 -0.00 0.00 0.00 57.88 57.61 1ybj h LEU 117 Cb 0.00 0.41 0.03 0.00 -0.00 0.00 0.00 40.66 41.10 1ybj h LEU 117 CO 0.00 -0.28 -0.81 -3.20 -0.00 0.00 0.00 178.44 174.15 1ybj n ASN 118 N -5.39 -2.01 -4.27 -0.43 5.15 -1.14 -4.94 115.26 102.23 1ybj n ASN 118 Ca 0.01 -0.81 -0.42 0.00 -0.60 0.00 0.00 54.58 52.76 1ybj n ASN 118 Cb 0.31 -4.00 -0.09 0.00 -0.53 0.00 0.00 39.78 35.48 1ybj n ASN 118 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1ybj s LEU 119 N -6.83 5.53 -0.18 1.20 1.43 0.77 -4.97 118.68 115.63 1ybj s LEU 119 Ca 0.16 -1.67 -0.06 0.00 -1.03 0.00 0.00 54.13 51.53 1ybj s LEU 119 Cb -0.08 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1ybj s LEU 119 CO 0.82 -0.64 0.02 -0.94 0.23 0.00 0.00 176.35 175.84 1ybj s SER 120 N 2.55 5.23 -0.25 2.29 1.04 -1.26 -0.69 113.70 122.61 1ybj s SER 120 Ca 0.04 -0.04 -0.06 0.00 0.48 0.00 0.00 55.95 56.37 1ybj s SER 120 Cb -0.25 -1.89 -0.01 0.00 0.10 0.00 0.00 66.02 63.97 1ybj s SER 120 CO 0.02 0.14 0.03 -0.55 0.98 0.00 0.00 173.24 173.86 1ybj s SER 121 N 0.54 4.81 1.13 7.02 0.15 0.36 -4.95 113.70 122.77 1ybj s SER 121 Ca 0.01 -0.36 -0.13 0.00 0.70 0.00 0.00 55.95 56.17 1ybj s SER 121 Cb -0.13 -1.85 0.25 0.00 -1.71 0.00 0.00 66.02 62.58 1ybj s SER 121 CO 0.02 -0.05 0.94 0.18 1.20 0.00 0.00 173.24 175.52 1ybj n LEU 122 N 4.87 -0.76 0.08 3.45 4.32 -1.26 -1.22 117.00 126.47 1ybj n LEU 122 Ca -0.17 -0.06 -0.14 0.00 -0.02 0.00 0.00 56.01 55.62 1ybj n LEU 122 Cb 0.51 -1.27 -0.07 0.00 -1.62 0.00 0.00 43.42 40.96 1ybj n LEU 122 CO 0.30 -3.12 0.57 -0.61 -1.22 0.00 0.00 177.39 173.32 1ybj h GLN 123 N -2.51 -0.60 -0.54 3.23 5.75 -1.98 -2.95 115.11 115.50 1ybj h GLN 123 Ca -0.58 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 57.96 1ybj h GLN 123 Cb 1.32 0.14 0.00 0.00 1.07 0.00 0.00 27.48 30.01 1ybj h GLN 123 CO 0.47 -0.40 0.00 0.00 -2.65 0.00 0.00 178.83 176.24 1ybj n ALA 124 N -2.88 2.61 0.11 3.38 0.00 -1.26 -3.42 120.51 119.05 1ybj n ALA 124 Ca -0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 53.44 53.07 1ybj n ALA 124 Cb 0.38 -1.01 0.12 0.00 0.00 0.00 0.00 19.45 18.95 1ybj n ALA 124 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ybj h GLN 125 N 0.71 0.09 0.00 0.00 1.08 -1.88 -3.47 115.11 111.64 1ybj h GLN 125 Ca 0.00 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1ybj h GLN 125 Cb 0.47 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1ybj h GLN 125 CO 0.04 0.71 0.00 0.41 -0.95 0.00 0.00 178.83 179.05 1ybj n GLY 126 N 0.37 3.72 0.11 3.46 0.00 -1.22 -2.03 105.19 109.60 1ybj n GLY 126 Ca -0.02 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.01 1ybj n GLY 126 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1ybj h HIS 127 N 0.00 0.00 0.00 1.61 -0.00 -1.92 -3.36 115.15 111.48 1ybj h HIS 127 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.34 1ybj h HIS 127 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1ybj h HIS 127 CO 0.00 0.41 -0.25 0.22 -0.00 0.00 0.00 177.93 178.31 1ybj h ASP 128 N 0.00 0.00 -2.29 3.26 3.58 -1.79 -3.35 116.42 115.84 1ybj h ASP 128 Ca -0.10 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.78 1ybj h ASP 128 Cb 1.40 0.00 0.04 0.00 1.72 0.00 0.00 39.33 42.49 1ybj h ASP 128 CO 0.03 0.15 0.98 0.61 -2.88 0.00 0.00 179.24 178.13 1ybj n GLY 129 N 1.15 1.39 0.43 -0.78 0.00 -1.08 -4.82 105.19 101.48 1ybj n GLY 129 Ca 0.03 0.73 0.24 0.00 0.00 0.00 0.00 46.02 47.02 1ybj n GLY 129 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1ybj h VAL 130 N 4.42 0.60 -0.57 1.61 -1.51 -1.94 0.70 116.25 119.56 1ybj h VAL 130 Ca -0.46 -0.07 -0.05 0.00 -1.23 0.00 0.00 66.70 64.89 1ybj h VAL 130 Cb 1.25 0.37 -0.02 0.00 -2.13 0.00 0.00 31.29 30.76 1ybj h VAL 130 CO 0.92 0.04 0.16 -0.37 -1.23 0.00 0.00 177.57 177.09 1ybj h VAL 131 N 0.21 1.24 -0.66 7.19 -1.51 -1.89 0.72 116.25 121.54 1ybj h VAL 131 Ca 0.46 -0.85 -0.08 0.00 -1.23 0.00 0.00 66.70 65.01 1ybj h VAL 131 Cb 1.47 0.71 -0.03 0.00 -2.13 0.00 0.00 31.29 31.31 1ybj h VAL 131 CO -0.11 0.32 0.12 -0.74 -1.23 0.00 0.00 177.57 175.93 1ybj h HIS 132 N 0.81 1.16 0.47 5.19 6.17 -1.10 -2.50 115.15 125.34 1ybj h HIS 132 Ca 0.18 -0.16 -0.02 0.00 0.71 0.00 0.00 60.37 61.08 1ybj h HIS 132 Cb 0.31 -0.32 0.00 0.00 2.52 0.00 0.00 27.41 29.93 1ybj h HIS 132 CO 0.02 0.97 -0.23 1.96 0.71 0.00 0.00 177.93 181.36 1ybj h GLN 133 N 1.01 -0.61 -1.00 5.26 1.08 -0.88 -2.70 115.11 117.28 1ybj h GLN 133 Ca 0.20 0.04 0.10 0.00 -1.45 0.00 0.00 58.65 57.54 1ybj h GLN 133 Cb 0.42 0.14 -0.08 0.00 -0.05 0.00 0.00 27.48 27.92 1ybj h GLN 133 CO 0.01 -0.41 0.64 -0.39 -0.95 0.00 0.00 178.83 177.73 1ybj h VAL 134 N -0.63 1.00 -0.14 -0.54 -1.51 -0.92 0.22 116.25 113.72 1ybj h VAL 134 Ca -0.06 -0.37 -0.06 0.00 -1.23 0.00 0.00 66.70 64.98 1ybj h VAL 134 Cb 0.49 -0.17 -0.00 0.00 -2.13 0.00 0.00 31.29 29.48 1ybj h VAL 134 CO 0.10 0.20 -0.13 1.62 -1.23 0.00 0.00 177.57 178.12 1ybj h VAL 135 N 1.07 1.34 0.00 7.19 3.04 -1.50 0.20 116.25 127.60 1ybj h VAL 135 Ca 0.47 -1.29 -0.07 0.00 -1.01 0.00 0.00 66.70 64.80 1ybj h VAL 135 Cb 0.35 1.87 -0.01 0.00 -2.01 0.00 0.00 31.29 31.49 1ybj h VAL 135 CO -0.22 0.38 -0.32 1.88 -1.01 0.00 0.00 177.57 178.28 1ybj h TYR 136 N -0.03 0.00 0.34 3.17 -1.99 -1.20 0.85 116.97 118.11 1ybj h TYR 136 Ca 0.02 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 1ybj h TYR 136 Cb 0.66 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.39 1ybj h TYR 136 CO 0.08 0.32 -0.16 0.78 -0.00 0.00 0.00 178.16 179.18 1ybj h GLY 137 N 2.35 -0.48 -0.13 3.88 0.00 -0.82 -2.80 103.07 105.08 1ybj h GLY 137 Ca -0.00 0.18 0.11 0.00 0.00 0.00 0.00 47.33 47.61 1ybj h GLY 137 CO 0.04 -0.17 -0.17 1.41 0.00 0.00 0.00 176.54 177.65 1ybj h LEU 138 N -0.78 -0.61 -1.54 3.11 -0.00 -0.24 0.50 115.31 115.74 1ybj h LEU 138 Ca -0.05 0.17 0.19 0.00 -0.00 0.00 0.00 57.88 58.19 1ybj h LEU 138 Cb 0.52 0.37 -0.06 0.00 -0.00 0.00 0.00 40.66 41.49 1ybj h LEU 138 CO 0.08 -0.21 0.57 0.24 -0.00 0.00 0.00 178.44 179.12 1ybj h MET 139 N -0.04 0.39 -0.01 1.13 2.86 -0.89 0.12 114.93 118.49 1ybj h MET 139 Ca 0.25 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1ybj h MET 139 Cb 0.43 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1ybj h MET 139 CO -0.57 0.26 -0.15 0.43 1.06 0.00 0.00 176.91 177.93 1ybj n SER 140 N -4.49 1.34 0.00 1.22 7.64 0.22 -4.87 113.62 114.68 1ybj n SER 140 Ca 0.18 -1.21 0.00 0.00 1.01 0.00 0.00 58.87 58.85 1ybj n SER 140 Cb 0.65 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 1ybj n SER 140 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ybj n GLY 141 N 1.28 0.57 3.26 0.23 0.00 0.43 -5.02 105.19 105.94 1ybj n GLY 141 Ca 0.15 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 1ybj n GLY 141 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ybj s ASP 142 N -2.37 5.63 -0.03 1.61 -1.08 0.15 -4.73 116.67 115.85 1ybj s ASP 142 Ca 0.00 -1.57 0.13 0.00 -0.52 0.00 0.00 52.55 50.59 1ybj s ASP 142 Cb 0.00 -1.99 0.42 0.00 -1.46 0.00 0.00 42.92 39.90 1ybj s ASP 142 CO 0.00 -0.56 1.32 0.35 0.52 0.00 0.00 175.17 176.81 1ybj n THR 143 N 4.91 0.81 0.18 1.71 -2.24 -1.26 -2.66 114.28 115.72 1ybj n THR 143 Ca -0.10 -0.65 0.03 0.00 -2.27 0.00 0.00 64.05 61.06 1ybj n THR 143 Cb 0.43 0.18 0.33 0.00 -2.10 0.00 0.00 70.33 69.17 1ybj n THR 143 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1ybj h GLY 144 N 4.90 0.00 1.65 3.38 0.00 -1.93 -0.59 103.07 110.48 1ybj h GLY 144 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 1ybj h GLY 144 CO 0.06 0.00 -1.21 0.00 0.00 0.00 0.00 176.54 175.38 1ybj h ALA 145 N 1.58 0.12 -0.33 3.60 0.00 -1.91 -3.26 119.26 119.07 1ybj h ALA 145 Ca -0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 54.91 53.93 1ybj h ALA 145 Cb 0.78 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1ybj h ALA 145 CO 0.05 0.98 -0.16 1.25 0.00 0.00 0.00 179.25 181.37 1ybj h LEU 146 N 0.08 0.71 -1.89 0.00 5.85 -1.71 -1.99 115.31 116.35 1ybj h LEU 146 Ca -0.12 -0.41 0.06 0.00 0.84 0.00 0.00 57.88 58.25 1ybj h LEU 146 Cb 1.94 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.76 1ybj h LEU 146 CO 0.20 0.96 0.21 1.05 -0.34 0.00 0.00 178.44 180.52 1ybj h GLU 147 N 0.46 0.13 0.02 1.25 4.11 -1.23 0.34 114.58 119.65 1ybj h GLU 147 Ca 0.07 -0.01 -0.24 0.00 0.07 0.00 0.00 59.36 59.26 1ybj h GLU 147 Cb 0.70 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.92 1ybj h GLU 147 CO 0.05 0.08 -1.00 0.00 0.07 0.00 0.00 179.01 178.21 1ybj h THR 148 N 0.13 1.40 -0.24 -1.06 1.03 -1.51 -2.30 112.91 110.36 1ybj h THR 148 Ca 0.14 -2.51 -0.05 0.00 -0.01 0.00 0.00 66.41 63.98 1ybj h THR 148 Cb 0.38 2.49 -0.01 0.00 -1.07 0.00 0.00 68.15 69.94 1ybj h THR 148 CO -0.02 0.75 -0.06 0.00 -0.01 0.00 0.00 175.52 176.19 1ybj h ALA 149 N 0.68 0.33 -0.96 0.00 0.00 -0.43 -3.06 119.26 115.82 1ybj h ALA 149 Ca -0.09 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.66 1ybj h ALA 149 Cb 1.65 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.28 1ybj h ALA 149 CO 0.17 0.12 0.62 -0.07 0.00 0.00 0.00 179.25 180.09 1ybj h LEU 150 N 0.20 0.89 -0.05 0.00 3.38 -0.40 -0.54 115.31 118.80 1ybj h LEU 150 Ca 0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ybj h LEU 150 Cb 0.52 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1ybj h LEU 150 CO 0.02 0.51 0.09 0.59 0.09 0.00 0.00 178.44 179.74 1ybj n ASN 151 N -4.57 0.02 0.01 -0.43 3.02 -0.87 -1.62 115.26 110.82 1ybj n ASN 151 Ca 0.17 0.42 -0.10 0.00 -0.03 0.00 0.00 54.58 55.04 1ybj n ASN 151 Cb 0.32 -0.42 0.05 0.00 -0.61 0.00 0.00 39.78 39.12 1ybj n ASN 151 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1ybj h GLY 152 N 0.00 0.61 0.20 7.41 0.00 -1.20 -1.44 103.07 108.64 1ybj h GLY 152 Ca 0.00 -0.71 -0.15 0.00 0.00 0.00 0.00 47.33 46.46 1ybj h GLY 152 CO 0.00 0.64 -0.79 -2.22 0.00 0.00 0.00 176.54 174.17 1ybj h ILE 153 N 0.42 1.32 -0.76 2.60 5.03 -1.50 -3.39 117.51 121.23 1ybj h ILE 153 Ca 0.01 -2.33 0.08 0.00 -0.12 0.00 0.00 64.86 62.50 1ybj h ILE 153 Cb 1.11 2.86 -0.07 0.00 -3.03 0.00 0.00 36.82 37.69 1ybj h ILE 153 CO 0.11 0.55 0.43 -0.07 -0.68 0.00 0.00 178.15 178.48 1ybj h LEU 154 N -0.77 0.61 -1.92 1.44 -0.00 -1.56 -2.11 115.31 111.00 1ybj h LEU 154 Ca -0.19 0.04 0.03 0.00 -0.00 0.00 0.00 57.88 57.77 1ybj h LEU 154 Cb 1.33 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.91 1ybj h LEU 154 CO -0.04 0.37 0.13 -0.78 -0.00 0.00 0.00 178.44 178.12 1ybj h ASP 155 N 0.74 0.09 -0.08 -0.43 3.58 -1.39 0.32 116.42 119.25 1ybj h ASP 155 Ca 0.36 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.79 1ybj h ASP 155 Cb 0.30 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 1ybj h ASP 155 CO -0.23 0.06 0.01 -0.78 -2.88 0.00 0.00 179.24 175.42 1ybj h ASP 156 N 0.10 0.21 0.02 2.28 3.58 -1.57 -0.99 116.42 120.05 1ybj h ASP 156 Ca 0.08 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1ybj h ASP 156 Cb 0.21 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1ybj h ASP 156 CO -0.01 0.25 -0.58 -1.22 -2.88 0.00 0.00 179.24 174.80 1ybj n TYR 157 N -4.40 0.00 -1.43 0.28 4.01 0.28 -4.96 117.16 110.94 1ybj n TYR 157 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1ybj n TYR 157 Cb 0.16 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 1ybj n TYR 157 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ybj n GLY 158 N 1.43 0.61 0.00 2.72 0.00 0.38 -5.03 105.19 105.31 1ybj n GLY 158 Ca 0.08 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1ybj n GLY 158 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ybj n LEU 159 N 0.00 0.00 -3.82 0.99 4.32 0.85 -4.92 117.00 114.41 1ybj n LEU 159 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.96 1ybj n LEU 159 Cb 0.30 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.11 1ybj n LEU 159 CO 0.00 -0.37 0.79 -0.94 -1.22 0.00 0.00 177.39 175.65 1ybj s SER 160 N -0.97 -0.06 0.21 -1.43 1.04 -1.26 -3.98 113.70 107.25 1ybj s SER 160 Ca 0.00 -0.57 0.16 0.00 0.48 0.00 0.00 55.95 56.02 1ybj s SER 160 Cb 0.00 0.49 0.81 0.00 0.10 0.00 0.00 66.02 67.42 1ybj s SER 160 CO 0.00 -0.95 1.48 1.33 0.98 0.00 0.00 173.24 176.09 1ybj n VAL 161 N -0.61 1.27 0.79 5.02 0.24 -1.26 -1.67 118.33 122.11 1ybj n VAL 161 Ca -0.04 0.59 0.06 0.00 -2.04 0.00 0.00 64.34 62.90 1ybj n VAL 161 Cb 0.60 -1.57 0.16 0.00 -1.47 0.00 0.00 33.84 31.56 1ybj n VAL 161 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1ybj n ASN 162 N -2.02 2.03 0.00 -1.34 3.02 -1.26 -0.42 115.26 115.27 1ybj n ASN 162 Ca -0.00 -2.03 0.00 0.00 -0.03 0.00 0.00 54.58 52.52 1ybj n ASN 162 Cb 0.06 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 1ybj n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ybj n SER 163 N 0.55 0.00 -3.61 6.41 7.64 -0.67 -4.86 113.62 119.08 1ybj n SER 163 Ca 0.12 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.84 1ybj n SER 163 Cb 0.33 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.46 1ybj n SER 163 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ybj s THR 164 N 0.97 0.01 0.21 0.44 2.01 -1.25 -3.43 115.64 114.59 1ybj s THR 164 Ca 0.00 -0.08 -0.09 0.00 0.31 0.00 0.00 61.69 61.82 1ybj s THR 164 Cb 0.00 -0.89 0.14 0.00 0.01 0.00 0.00 72.50 71.77 1ybj s THR 164 CO 0.00 -0.05 1.76 -0.26 -0.69 0.00 0.00 174.62 175.38 1ybj h PHE 165 N 3.83 0.47 -0.55 4.92 0.04 0.15 0.26 116.94 126.07 1ybj h PHE 165 Ca -0.28 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.43 1ybj h PHE 165 Cb 1.15 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 39.17 1ybj h PHE 165 CO 0.41 0.15 0.01 0.22 -0.60 0.00 0.00 178.31 178.50 1ybj h ASP 166 N 0.47 0.95 -0.11 2.17 3.58 -1.84 -2.18 116.42 119.46 1ybj h ASP 166 Ca 0.31 -0.30 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 1ybj h ASP 166 Cb 0.35 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 1ybj h ASP 166 CO -0.28 1.02 -0.01 1.56 -2.88 0.00 0.00 179.24 178.65 1ybj h GLN 167 N 0.85 0.19 0.22 0.28 4.20 -1.73 -0.28 115.11 118.85 1ybj h GLN 167 Ca 0.16 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1ybj h GLN 167 Cb 0.53 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 1ybj h GLN 167 CO 0.03 0.47 -0.28 0.28 -0.67 0.00 0.00 178.83 178.66 1ybj h VAL 168 N -0.10 0.41 -0.91 -0.54 2.07 -0.50 0.41 116.25 117.09 1ybj h VAL 168 Ca 0.03 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.62 1ybj h VAL 168 Cb 0.39 0.41 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 1ybj h VAL 168 CO 0.01 0.00 0.56 0.00 0.02 0.00 0.00 177.57 178.16 1ybj h ALA 169 N 0.10 1.27 -0.34 1.67 0.00 -1.39 0.19 119.26 120.75 1ybj h ALA 169 Ca 0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1ybj h ALA 169 Cb 0.53 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ybj h ALA 169 CO -0.09 0.29 -0.39 0.00 0.00 0.00 0.00 179.25 179.05 1ybj h ALA 170 N 1.44 0.65 0.00 0.00 0.00 -0.64 -0.56 119.26 120.16 1ybj h ALA 170 Ca 0.41 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 1ybj h ALA 170 Cb 0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1ybj h ALA 170 CO -0.19 0.67 -0.75 0.00 0.00 0.00 0.00 179.25 178.98 1ybj h ALA 171 N 0.87 0.74 0.00 0.00 0.00 0.60 -2.63 119.26 118.84 1ybj h ALA 171 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1ybj h ALA 171 Cb 0.96 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ybj h ALA 171 CO 0.09 0.94 -0.37 0.25 0.00 0.00 0.00 179.25 180.16 1ybj n THR 172 N -3.61 0.16 -0.06 0.00 -2.24 0.61 -1.05 114.28 108.09 1ybj n THR 172 Ca -0.01 -0.10 -0.13 0.00 -2.27 0.00 0.00 64.05 61.54 1ybj n THR 172 Cb 0.74 -0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 68.79 1ybj n THR 172 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ybj h ALA 173 N 2.82 0.24 0.00 6.98 0.00 -0.74 -3.44 119.26 125.12 1ybj h ALA 173 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1ybj h ALA 173 Cb 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ybj h ALA 173 CO 0.00 0.08 0.00 1.55 0.00 0.00 0.00 179.25 180.88 1ybj n VAL 174 N -4.58 0.00 0.00 0.00 3.14 -1.06 -5.09 118.33 110.74 1ybj n VAL 174 Ca -0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 1ybj n VAL 174 Cb 0.33 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.11 1ybj n VAL 174 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ybj n GLY 175 N -0.33 3.78 2.87 7.55 0.00 -0.21 -4.98 105.19 113.87 1ybj n GLY 175 Ca 0.00 -1.21 -0.19 0.00 0.00 0.00 0.00 46.02 44.62 1ybj n GLY 175 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ybj s VAL 176 N 0.00 0.42 0.28 1.61 -7.23 -1.26 -4.85 120.40 109.37 1ybj s VAL 176 Ca 0.00 -0.05 -0.14 0.00 -1.81 0.00 0.00 61.98 59.97 1ybj s VAL 176 Cb 0.00 -0.48 -0.08 0.00 0.56 0.00 0.00 36.38 36.38 1ybj s VAL 176 CO 0.00 0.20 0.68 0.00 -0.31 0.00 0.00 175.10 175.68 1ybj s GLN 177 N 0.99 4.00 0.00 4.82 0.00 -1.26 -4.89 119.66 123.31 1ybj s GLN 177 Ca -0.10 0.61 0.00 0.00 -0.00 0.00 0.00 55.36 55.86 1ybj s GLN 177 Cb -0.14 -2.57 0.00 0.00 0.00 0.00 0.00 33.01 30.30 1ybj s GLN 177 CO -0.01 0.25 0.00 -2.39 0.00 0.00 0.00 175.29 173.14