#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 3.40 0.01 0.00 5.36 -1.24 -3.92 117.98 121.59 1ybj s PHE 2 Ca 0.00 1.17 -0.29 0.00 -0.96 0.00 0.00 56.93 56.85 1ybj s PHE 2 Cb 0.00 -2.49 0.11 0.00 -0.34 0.00 0.00 43.02 40.29 1ybj s PHE 2 CO 0.00 0.14 1.15 -1.54 -1.46 0.00 0.00 175.22 173.50 1ybj s SER 3 N -2.25 -0.13 -0.17 6.13 1.04 0.65 -4.62 113.70 114.36 1ybj s SER 3 Ca 0.52 -0.18 -0.20 0.00 0.48 0.00 0.00 55.95 56.58 1ybj s SER 3 Cb -0.11 0.27 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 1ybj s SER 3 CO 0.18 -0.49 0.57 0.54 0.98 0.00 0.00 173.24 175.02 1ybj s VAL 4 N -2.73 5.09 -0.79 5.02 0.11 -1.26 -2.20 120.40 123.63 1ybj s VAL 4 Ca 0.12 1.08 -0.01 0.00 -2.93 0.00 0.00 61.98 60.24 1ybj s VAL 4 Cb 0.02 -3.89 0.37 0.00 -1.53 0.00 0.00 36.38 31.34 1ybj s VAL 4 CO -0.03 0.19 1.95 0.59 -3.33 0.00 0.00 175.10 174.47 1ybj n ASN 5 N 4.58 7.30 -4.78 3.54 3.02 0.89 -4.75 115.26 125.06 1ybj n ASN 5 Ca -0.04 -3.82 -0.35 0.00 -0.03 0.00 0.00 54.58 50.34 1ybj n ASN 5 Cb 0.50 -1.00 -0.00 0.00 -0.61 0.00 0.00 39.78 38.67 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 -4.01 2.72 -0.37 3.10 1.13 -1.25 -0.98 117.35 117.68 1ybj s TYR 6 Ca 0.53 1.55 -0.27 0.00 -1.41 0.00 0.00 57.07 57.47 1ybj s TYR 6 Cb 0.44 -3.26 -0.05 0.00 -1.10 0.00 0.00 41.96 38.00 1ybj s TYR 6 CO -0.35 -1.47 2.20 0.34 -2.51 0.00 0.00 175.55 173.76 1ybj s ASP 7 N -1.81 5.11 0.00 -0.18 2.15 -1.26 -4.75 116.67 115.93 1ybj s ASP 7 Ca 0.72 1.37 0.00 0.00 0.43 0.00 0.00 52.55 55.06 1ybj s ASP 7 Cb -0.23 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 1ybj s ASP 7 CO 0.26 -2.32 0.65 -1.54 -0.17 0.00 0.00 175.17 172.06 1ybj n SER 8 N 13.21 -1.31 0.00 -0.34 3.41 -1.26 -1.50 113.62 125.84 1ybj n SER 8 Ca 0.31 -0.83 0.00 0.00 -0.26 0.00 0.00 58.87 58.09 1ybj n SER 8 Cb 0.50 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1ybj n SER 8 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ybj n SER 9 N 3.50 0.00 -1.14 4.04 2.88 -1.26 -4.92 113.62 116.71 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 0.33 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.02 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 -0.08 1.00 -1.22 0.66 3.72 -0.56 -4.79 117.46 116.19 1ybj n PHE 10 Ca 0.00 -0.39 -0.40 0.00 -0.05 0.00 0.00 57.45 56.61 1ybj n PHE 10 Cb 0.00 -0.20 -0.04 0.00 -0.94 0.00 0.00 39.48 38.30 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 0.77 3.12 0.53 1.37 0.00 -1.26 -3.33 105.19 106.39 1ybj n GLY 11 Ca 0.17 -1.29 -0.02 0.00 0.00 0.00 0.00 46.02 44.88 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 4.28 0.64 3.38 -0.02 0.00 -1.26 -4.24 105.19 107.97 1ybj n GLY 12 Ca 0.51 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.20 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 2.79 0.17 1.61 1.51 -1.21 -4.87 117.35 117.35 1ybj s TYR 13 Ca 0.00 -0.59 -0.31 0.00 -1.01 0.00 0.00 57.07 55.16 1ybj s TYR 13 Cb 0.00 -1.81 -0.09 0.00 -0.11 0.00 0.00 41.96 39.95 1ybj s TYR 13 CO 0.00 -0.17 1.39 -1.54 -1.11 0.00 0.00 175.55 174.12 1ybj s SER 14 N 0.21 6.80 0.23 2.29 1.04 -1.26 0.12 113.70 123.13 1ybj s SER 14 Ca -0.08 2.44 -0.10 0.00 0.48 0.00 0.00 55.95 58.69 1ybj s SER 14 Cb -0.15 -2.60 0.35 0.00 0.10 0.00 0.00 66.02 63.72 1ybj s SER 14 CO 0.05 -0.63 1.63 0.40 0.98 0.00 0.00 173.24 175.67 1ybj h ILE 15 N 3.92 0.34 -0.04 -1.02 1.08 -0.36 0.36 117.51 121.80 1ybj h ILE 15 Ca -0.44 -0.02 -0.00 0.00 -0.39 0.00 0.00 64.86 64.01 1ybj h ILE 15 Cb 1.21 0.28 -0.00 0.00 -3.07 0.00 0.00 36.82 35.24 1ybj h ILE 15 CO 0.82 0.01 0.02 -0.74 -0.69 0.00 0.00 178.15 177.57 1ybj h HIS 16 N 0.06 0.05 -0.03 1.37 2.76 -1.82 -0.26 115.15 117.27 1ybj h HIS 16 Ca 0.37 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.53 1ybj h HIS 16 Cb 0.61 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.55 1ybj h HIS 16 CO -0.48 0.04 -0.03 0.22 -1.30 0.00 0.00 177.93 176.38 1ybj h ASP 17 N 0.05 0.08 -0.15 3.26 3.58 -0.58 -1.36 116.42 121.30 1ybj h ASP 17 Ca 0.01 -0.46 -0.08 0.00 0.42 0.00 0.00 57.03 56.92 1ybj h ASP 17 Cb 0.01 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.03 1ybj h ASP 17 CO -0.00 0.53 -0.23 0.22 -2.88 0.00 0.00 179.24 176.88 1ybj h TYR 18 N -0.36 0.52 -0.63 0.28 3.20 -1.24 -2.40 116.97 116.34 1ybj h TYR 18 Ca 0.01 -0.18 0.05 0.00 3.14 0.00 0.00 58.73 61.76 1ybj h TYR 18 Cb 0.50 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.62 1ybj h TYR 18 CO 0.08 0.85 0.35 -0.07 -1.64 0.00 0.00 178.16 177.73 1ybj h LEU 19 N 0.05 0.51 -1.14 2.82 3.38 -1.10 0.28 115.31 120.12 1ybj h LEU 19 Ca 0.02 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ybj h LEU 19 Cb 0.80 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 1ybj h LEU 19 CO 0.05 0.34 0.47 1.23 0.09 0.00 0.00 178.44 180.62 1ybj h GLY 20 N 0.65 1.14 0.97 0.83 0.00 -1.26 -0.29 103.07 105.11 1ybj h GLY 20 Ca 0.28 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 1ybj h GLY 20 CO -0.17 0.45 0.10 -1.61 0.00 0.00 0.00 176.54 175.31 1ybj h GLN 21 N 1.08 0.76 -0.67 4.80 4.15 -0.49 0.15 115.11 124.90 1ybj h GLN 21 Ca 0.28 -0.19 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 1ybj h GLN 21 Cb -0.04 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 1ybj h GLN 21 CO -0.05 0.76 0.32 2.35 -1.93 0.00 0.00 178.83 180.27 1ybj h TRP 22 N 0.63 0.96 0.00 3.99 7.01 -0.19 -1.46 115.95 126.89 1ybj h TRP 22 Ca 0.14 -0.05 -0.03 0.00 2.11 0.00 0.00 58.89 61.07 1ybj h TRP 22 Cb 0.35 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 27.11 1ybj h TRP 22 CO 0.02 0.72 -0.13 0.00 -2.79 0.00 0.00 178.44 176.27 1ybj h ALA 23 N 1.15 1.30 0.38 2.65 0.00 -0.76 -1.13 119.26 122.84 1ybj h ALA 23 Ca 0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ybj h ALA 23 Cb 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ybj h ALA 23 CO -0.03 0.16 -0.18 1.03 0.00 0.00 0.00 179.25 180.23 1ybj h SER 24 N 0.00 -0.43 -0.33 0.00 0.87 0.13 -0.96 113.55 112.83 1ybj h SER 24 Ca -0.00 -0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.45 1ybj h SER 24 Cb 0.35 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 1ybj h SER 24 CO 0.02 -0.22 0.03 0.71 -0.53 0.00 0.00 176.83 176.84 1ybj h THR 25 N -0.62 1.22 -0.97 2.23 1.35 -1.27 -2.27 112.91 112.58 1ybj h THR 25 Ca -0.05 -0.84 0.09 0.00 -0.55 0.00 0.00 66.41 65.06 1ybj h THR 25 Cb 0.45 0.87 -0.07 0.00 -1.73 0.00 0.00 68.15 67.67 1ybj h THR 25 CO 0.08 0.30 0.62 0.15 -0.25 0.00 0.00 175.52 176.43 1ybj h PHE 26 N 0.63 1.12 0.00 4.73 3.04 -0.98 -1.54 116.94 123.93 1ybj h PHE 26 Ca 0.13 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 62.03 1ybj h PHE 26 Cb 0.35 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 1ybj h PHE 26 CO 0.02 0.52 -0.38 0.78 -2.02 0.00 0.00 178.31 177.23 1ybj h GLY 27 N 1.04 0.00 -7.35 2.40 0.00 -0.57 -3.39 103.07 95.20 1ybj h GLY 27 Ca 0.45 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 47.25 1ybj h GLY 27 CO -0.20 0.00 1.16 -0.35 0.00 0.00 0.00 176.54 177.15 1ybj s ASP 28 N -6.86 5.87 0.00 0.19 -1.08 -0.58 -4.85 116.67 109.36 1ybj s ASP 28 Ca -0.03 -0.07 0.09 0.00 -0.52 0.00 0.00 52.55 52.03 1ybj s ASP 28 Cb 0.14 -2.55 0.54 0.00 -1.46 0.00 0.00 42.92 39.59 1ybj s ASP 28 CO 0.72 -1.99 1.06 1.33 0.52 0.00 0.00 175.17 176.81 1ybj n VAL 29 N 6.73 0.24 1.32 1.11 0.24 -1.26 -3.36 118.33 123.34 1ybj n VAL 29 Ca 0.10 0.06 0.14 0.00 -2.04 0.00 0.00 64.34 62.60 1ybj n VAL 29 Cb 0.50 -0.91 0.57 0.00 -1.47 0.00 0.00 33.84 32.53 1ybj n VAL 29 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1ybj n ASN 30 N -1.08 0.45 -2.78 -1.34 3.02 -1.26 -4.32 115.26 107.94 1ybj n ASN 30 Ca 0.06 -0.44 -0.01 0.00 -0.03 0.00 0.00 54.58 54.16 1ybj n ASN 30 Cb 0.04 -0.08 -0.01 0.00 -0.61 0.00 0.00 39.78 39.13 1ybj n ASN 30 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1ybj n HIS 31 N -1.05 -3.35 -3.80 3.10 -0.00 -1.21 -5.05 115.22 103.86 1ybj n HIS 31 Ca 0.13 1.61 -0.13 0.00 -0.00 0.00 0.00 57.72 59.33 1ybj n HIS 31 Cb 0.29 -3.43 -0.14 0.00 -0.00 0.00 0.00 29.99 26.71 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 -1.27 -0.03 -0.29 3.57 -4.23 -1.26 -5.08 115.64 107.04 1ybj s THR 32 Ca -0.06 0.10 -0.16 0.00 -1.18 0.00 0.00 61.69 60.40 1ybj s THR 32 Cb 0.00 -0.15 0.16 0.00 1.34 0.00 0.00 72.50 73.85 1ybj s THR 32 CO 0.64 0.04 1.04 0.21 -0.54 0.00 0.00 174.62 176.01 1ybj s ASN 33 N 0.63 -0.41 0.00 3.99 3.84 -1.26 -5.01 114.94 116.72 1ybj s ASN 33 Ca -0.05 0.65 0.21 0.00 0.21 0.00 0.00 52.86 53.88 1ybj s ASN 33 Cb -0.07 1.20 0.99 0.00 -0.55 0.00 0.00 41.25 42.83 1ybj s ASN 33 CO -0.03 -0.10 1.67 0.61 -2.79 0.00 0.00 177.10 176.46 1ybj n GLY 34 N 3.69 -1.08 0.20 1.21 0.00 -1.26 -3.16 105.19 104.80 1ybj n GLY 34 Ca -0.17 -0.09 0.02 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.37 1.72 -4.50 1.61 3.02 -1.26 -4.98 115.26 109.50 1ybj n ASN 35 Ca 0.08 -1.47 -0.39 0.00 -0.03 0.00 0.00 54.58 52.76 1ybj n ASN 35 Cb 0.20 -0.03 -0.11 0.00 -0.61 0.00 0.00 39.78 39.22 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 -0.59 5.00 0.00 2.41 1.01 -1.19 -4.74 120.40 122.30 1ybj s VAL 36 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1ybj s VAL 36 Cb 0.04 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1ybj s VAL 36 CO 0.06 0.07 0.00 0.35 0.00 0.00 0.00 175.10 175.58 1ybj n THR 37 N 5.05 0.00 0.05 3.92 -2.24 -1.26 -4.92 114.28 114.87 1ybj n THR 37 Ca -0.13 0.16 -0.02 0.00 -2.27 0.00 0.00 64.05 61.79 1ybj n THR 37 Cb 0.50 -1.12 -0.01 0.00 -2.10 0.00 0.00 70.33 67.60 1ybj n THR 37 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ybj h ASP 38 N 0.00 -0.11 -3.84 3.42 5.19 -1.93 -3.49 116.42 115.66 1ybj h ASP 38 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ybj h ASP 38 Cb 0.00 0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.54 1ybj h ASP 38 CO 0.00 -0.07 -0.26 0.00 -3.12 0.00 0.00 179.24 175.79 1ybj n ALA 39 N -2.07 -3.08 -2.13 3.45 0.00 -1.01 -5.02 120.51 110.65 1ybj n ALA 39 Ca -0.02 0.35 -0.40 0.00 0.00 0.00 0.00 53.44 53.38 1ybj n ALA 39 Cb 0.05 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.23 7.35 0.12 0.00 0.01 0.58 -4.81 114.94 116.96 1ybj s ASN 40 Ca 0.06 1.60 -0.08 0.00 -0.71 0.00 0.00 52.86 53.73 1ybj s ASN 40 Cb -0.02 -2.50 -0.11 0.00 0.41 0.00 0.00 41.25 39.04 1ybj s ASN 40 CO 0.29 0.13 1.31 0.28 -1.51 0.00 0.00 177.10 177.60 1ybj h SER 41 N 4.84 0.73 -2.70 -1.22 0.02 -1.89 -3.34 113.55 109.98 1ybj h SER 41 Ca -0.46 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 59.97 1ybj h SER 41 Cb 1.21 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1ybj h SER 41 CO 0.68 1.31 0.00 0.61 -1.14 0.00 0.00 176.83 178.29 1ybj n GLY 42 N 0.81 -1.51 2.67 -3.77 0.00 -1.26 0.72 105.19 102.84 1ybj n GLY 42 Ca -0.07 -1.20 -0.04 0.00 0.00 0.00 0.00 46.02 44.71 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 0.32 -1.25 1.81 -0.02 0.00 -1.01 -4.67 105.19 100.37 1ybj n GLY 43 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 0.39 -4.56 0.70 1.61 3.72 -1.26 -4.74 117.46 113.33 1ybj n PHE 44 Ca -0.07 2.48 0.12 0.00 -0.05 0.00 0.00 57.45 59.93 1ybj n PHE 44 Cb 0.75 -3.56 0.12 0.00 -0.94 0.00 0.00 39.48 35.84 1ybj n PHE 44 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1ybj n TYR 45 N 0.83 0.26 0.08 1.38 9.36 -0.56 -4.23 117.16 124.28 1ybj n TYR 45 Ca 0.00 0.08 -0.03 0.00 3.32 0.00 0.00 57.90 61.26 1ybj n TYR 45 Cb 0.00 -0.43 -0.07 0.00 -0.63 0.00 0.00 39.34 38.21 1ybj n TYR 45 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 1ybj h GLY 46 N 4.68 0.00 0.00 2.98 0.00 -1.60 -3.48 103.07 105.64 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 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1ybj n GLY 47 N 1.33 -0.35 0.07 4.60 0.00 -1.04 -4.76 105.19 105.04 1ybj n GLY 47 Ca -0.01 0.43 -0.14 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.00 0.00 1.61 0.02 -1.90 -3.44 113.55 109.84 1ybj h SER 48 Ca 0.00 -0.82 -0.13 0.00 -0.84 0.00 0.00 61.79 60.00 1ybj h SER 48 Cb 0.00 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.44 1ybj h SER 48 CO 0.00 0.82 -0.15 0.00 -1.14 0.00 0.00 176.83 176.36 1ybj n LEU 49 N -4.69 -1.14 0.00 5.07 -0.00 -1.26 -4.87 117.00 110.10 1ybj n LEU 49 Ca -0.09 -2.51 -0.08 0.00 -0.00 0.00 0.00 56.01 53.32 1ybj n LEU 49 Cb 0.40 0.41 -0.00 0.00 -0.00 0.00 0.00 43.42 44.23 1ybj n LEU 49 CO 0.33 1.49 0.22 -1.54 -0.00 0.00 0.00 177.39 177.90 1ybj n SER 50 N -0.85 -1.16 0.00 1.45 3.41 -1.26 -4.36 113.62 110.84 1ybj n SER 50 Ca -0.12 -2.13 0.00 0.00 -0.26 0.00 0.00 58.87 56.36 1ybj n SER 50 Cb 0.75 2.03 0.00 0.00 -0.26 0.00 0.00 64.21 66.73 1ybj n SER 50 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ybj n GLY 51 N -0.36 0.63 0.04 5.00 0.00 -1.25 -2.29 105.19 106.95 1ybj n GLY 51 Ca -0.02 -2.15 0.11 0.00 0.00 0.00 0.00 46.02 43.95 1ybj n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ybj n SER 52 N 1.21 0.63 -4.12 1.61 2.88 -1.26 -1.96 113.62 112.61 1ybj n SER 52 Ca 0.00 -0.17 -0.14 0.00 -1.33 0.00 0.00 58.87 57.22 1ybj n SER 52 Cb 0.00 0.65 -0.11 0.00 -0.75 0.00 0.00 64.21 64.00 1ybj n SER 52 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1ybj s GLN 53 N -3.17 0.69 -0.34 -1.46 0.74 -1.26 -1.06 119.66 113.80 1ybj s GLN 53 Ca 0.05 -0.93 0.02 0.00 0.05 0.00 0.00 55.36 54.55 1ybj s GLN 53 Cb 0.14 -0.47 0.15 0.00 1.10 0.00 0.00 33.01 33.93 1ybj s GLN 53 CO 0.78 0.09 0.37 1.52 -0.55 0.00 0.00 175.29 177.50 1ybj s TYR 54 N -1.74 -0.55 0.21 1.67 1.13 -0.79 -1.50 117.35 115.79 1ybj s TYR 54 Ca -0.03 -0.38 -0.03 0.00 -1.41 0.00 0.00 57.07 55.21 1ybj s TYR 54 Cb -0.07 -0.34 -0.05 0.00 -1.10 0.00 0.00 41.96 40.40 1ybj s TYR 54 CO 0.00 -0.97 0.44 0.00 -2.51 0.00 0.00 175.55 172.52 1ybj s ALA 55 N 1.91 3.75 -0.08 9.51 0.00 -1.26 -0.70 121.76 134.88 1ybj s ALA 55 Ca 0.13 -0.65 -0.08 0.00 0.00 0.00 0.00 51.96 51.36 1ybj s ALA 55 Cb -0.14 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 20.86 1ybj s ALA 55 CO -0.17 0.44 0.23 0.42 0.00 0.00 0.00 175.76 176.69 1ybj s ILE 56 N -1.88 0.00 -0.34 0.00 -1.09 0.95 -2.40 121.20 116.45 1ybj s ILE 56 Ca 0.41 -0.02 -0.00 0.00 -2.23 0.00 0.00 60.65 58.81 1ybj s ILE 56 Cb -0.11 -0.33 0.11 0.00 -1.58 0.00 0.00 42.46 40.54 1ybj s ILE 56 CO 0.28 -0.01 0.13 -0.55 -1.23 0.00 0.00 174.94 173.56 1ybj s SER 57 N 0.07 3.90 0.00 3.58 0.15 0.22 0.52 113.70 122.14 1ybj s SER 57 Ca -0.00 -1.87 0.00 0.00 0.70 0.00 0.00 55.95 54.77 1ybj s SER 57 Cb -0.02 -0.87 0.00 0.00 -1.71 0.00 0.00 66.02 63.42 1ybj s SER 57 CO 0.00 -0.38 0.00 -0.24 1.20 0.00 0.00 173.24 173.82 1ybj n SER 58 N 4.53 0.00 0.29 5.45 2.88 0.59 -3.93 113.62 123.44 1ybj n SER 58 Ca 0.01 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.74 1ybj n SER 58 Cb 0.40 0.00 0.88 0.00 -0.75 0.00 0.00 64.21 64.74 1ybj n SER 58 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1ybj h THR 59 N 1.70 0.00 0.00 2.46 1.35 -1.89 0.36 112.91 116.90 1ybj h THR 59 Ca 0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1ybj h THR 59 Cb 0.00 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1ybj h THR 59 CO 0.00 0.00 -0.04 0.00 -0.25 0.00 0.00 175.52 175.23 1ybj h ALA 60 N 2.01 0.00 -0.07 6.62 0.00 -1.87 -3.41 119.26 122.54 1ybj h ALA 60 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ybj h ALA 60 Cb 0.29 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ybj h ALA 60 CO 0.00 0.04 0.00 0.27 0.00 0.00 0.00 179.25 179.56 1ybj n ASN 61 N -4.36 1.86 -4.16 0.00 0.23 -1.23 -4.61 115.26 102.99 1ybj n ASN 61 Ca -0.01 -1.51 -0.35 0.00 -0.53 0.00 0.00 54.58 52.18 1ybj n ASN 61 Cb 0.02 -0.04 -0.07 0.00 -2.08 0.00 0.00 39.78 37.61 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 0.26 -1.11 0.05 -3.83 1.13 0.13 -4.44 117.38 109.57 1ybj n GLN 62 Ca 0.05 0.11 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 1ybj n GLN 62 Cb 0.22 -4.63 0.00 0.00 0.11 0.00 0.00 30.24 25.94 1ybj n GLN 62 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 1ybj n VAL 63 N -3.75 0.34 -1.55 5.09 3.14 -1.26 -4.79 118.33 115.55 1ybj n VAL 63 Ca 0.10 0.11 -0.37 0.00 -2.96 0.00 0.00 64.34 61.22 1ybj n VAL 63 Cb 0.45 -1.06 -0.04 0.00 -1.06 0.00 0.00 33.84 32.14 1ybj n VAL 63 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1ybj n THR 64 N -3.14 -0.04 -3.87 1.55 -1.04 -1.26 0.22 114.28 106.69 1ybj n THR 64 Ca 0.00 -0.70 -0.24 0.00 -2.04 0.00 0.00 64.05 61.07 1ybj n THR 64 Cb 0.13 -2.57 -0.04 0.00 -1.82 0.00 0.00 70.33 66.04 1ybj n THR 64 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ybj s ALA 65 N 11.58 4.05 -0.30 2.41 0.00 0.66 -0.30 121.76 139.86 1ybj s ALA 65 Ca 1.02 -1.71 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 1ybj s ALA 65 Cb -0.30 -0.70 0.14 0.00 0.00 0.00 0.00 23.12 22.27 1ybj s ALA 65 CO 0.29 -0.28 0.66 0.12 0.00 0.00 0.00 175.76 176.55 1ybj s PHE 66 N -2.63 -1.35 -0.41 0.00 5.36 0.19 -1.28 117.98 117.85 1ybj s PHE 66 Ca 0.40 2.15 -0.12 0.00 -0.96 0.00 0.00 56.93 58.40 1ybj s PHE 66 Cb -0.01 0.74 0.05 0.00 -0.34 0.00 0.00 43.02 43.46 1ybj s PHE 66 CO 0.23 -0.69 0.28 0.08 -1.46 0.00 0.00 175.22 173.66 1ybj s VAL 67 N 2.87 4.71 0.36 3.12 1.01 0.12 -0.04 120.40 132.55 1ybj s VAL 67 Ca -0.01 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 60.89 1ybj s VAL 67 Cb -0.12 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1ybj s VAL 67 CO -0.19 -0.40 0.62 0.00 0.00 0.00 0.00 175.10 175.13 1ybj s ALA 68 N 1.55 3.57 -0.18 5.51 0.00 0.12 -0.56 121.76 131.77 1ybj s ALA 68 Ca 0.03 -0.60 -0.14 0.00 0.00 0.00 0.00 51.96 51.25 1ybj s ALA 68 Cb -0.21 -2.35 0.05 0.00 0.00 0.00 0.00 23.12 20.60 1ybj s ALA 68 CO 0.06 0.02 0.47 0.20 0.00 0.00 0.00 175.76 176.51 1ybj s GLY 69 N -3.58 -0.37 0.00 0.00 0.00 -0.23 -1.88 107.32 101.27 1ybj s GLY 69 Ca 0.44 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.66 1ybj s GLY 69 CO 0.35 1.44 0.00 0.61 0.00 0.00 0.00 173.10 175.50 1ybj n GLY 70 N 3.46 1.29 2.41 0.20 0.00 -0.23 -1.80 105.19 110.52 1ybj n GLY 70 Ca -0.17 0.26 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 1ybj n GLY 70 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ybj n ASN 71 N 0.00 -0.99 -4.96 1.61 2.85 -0.61 -4.65 115.26 108.52 1ybj n ASN 71 Ca 0.00 -2.79 -0.23 0.00 -0.11 0.00 0.00 54.58 51.46 1ybj n ASN 71 Cb 0.00 0.16 0.03 0.00 1.24 0.00 0.00 39.78 41.20 1ybj n ASN 71 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1ybj s LEU 72 N -0.64 3.42 -0.28 1.20 1.43 -0.83 -0.38 118.68 122.59 1ybj s LEU 72 Ca 0.33 0.22 -0.20 0.00 -1.03 0.00 0.00 54.13 53.46 1ybj s LEU 72 Cb 0.14 -3.08 0.11 0.00 0.03 0.00 0.00 46.19 43.39 1ybj s LEU 72 CO -0.15 -0.96 0.86 -0.89 0.23 0.00 0.00 176.35 175.43 1ybj s THR 73 N -2.72 0.00 0.05 5.49 2.01 -1.15 -3.91 115.64 115.41 1ybj s THR 73 Ca 0.53 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 62.44 1ybj s THR 73 Cb -0.10 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.35 1ybj s THR 73 CO 0.39 0.00 0.35 -0.72 -0.69 0.00 0.00 174.62 173.95 1ybj s TYR 74 N 1.01 3.59 -0.01 4.92 1.13 -1.26 -2.28 117.35 124.45 1ybj s TYR 74 Ca -0.05 0.71 -0.02 0.00 -1.41 0.00 0.00 57.07 56.30 1ybj s TYR 74 Cb -0.05 -2.10 -0.01 0.00 -1.10 0.00 0.00 41.96 38.71 1ybj s TYR 74 CO -0.12 0.56 0.43 1.79 -2.51 0.00 0.00 175.55 175.70 1ybj h THR 75 N 2.96 0.00 0.00 -3.49 1.35 -0.64 -3.47 112.91 109.62 1ybj h THR 75 Ca -0.49 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1ybj h THR 75 Cb 1.20 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 1ybj h THR 75 CO 0.66 0.00 0.00 -0.11 -0.25 0.00 0.00 175.52 175.82 1ybj n LEU 76 N -2.50 0.00 -0.57 3.87 7.94 -1.26 -1.85 117.00 122.63 1ybj n LEU 76 Ca -0.01 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.03 1ybj n LEU 76 Cb 0.03 0.00 0.45 0.00 0.53 0.00 0.00 43.42 44.43 1ybj n LEU 76 CO 0.03 0.00 0.83 0.49 -1.11 0.00 0.00 177.39 177.62 1ybj n PHE 77 N 0.00 0.00 -1.69 1.96 3.72 -1.26 -3.58 117.46 116.61 1ybj n PHE 77 Ca 0.00 -0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.10 1ybj n PHE 77 Cb 0.00 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.63 1ybj n PHE 77 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1ybj s ASN 78 N -2.00 4.52 0.11 4.37 0.01 -0.77 -4.94 114.94 116.24 1ybj s ASN 78 Ca 0.36 1.10 -0.28 0.00 -0.71 0.00 0.00 52.86 53.33 1ybj s ASN 78 Cb 0.21 -1.78 -0.10 0.00 0.41 0.00 0.00 41.25 39.99 1ybj s ASN 78 CO 0.33 -1.93 1.47 -0.33 -1.51 0.00 0.00 177.10 175.13 1ybj h GLU 79 N -1.06 -0.36 -0.97 -0.60 4.39 -1.91 -1.40 114.58 112.66 1ybj h GLU 79 Ca -0.47 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.36 1ybj h GLU 79 Cb 1.29 0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.94 1ybj h GLU 79 CO 0.62 -0.24 0.61 -1.35 -1.16 0.00 0.00 179.01 177.49 1ybj h PRO 80 N -0.37 0.98 -1.92 2.33 0.11 -1.91 -3.49 132.00 127.73 1ybj h PRO 80 Ca 0.05 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1ybj h PRO 80 Cb 0.52 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1ybj h PRO 80 CO -0.48 0.65 -0.46 0.00 -0.21 0.00 0.00 178.00 177.50 1ybj n ALA 81 N -2.36 -2.15 -3.89 -0.75 0.00 -0.53 -4.83 120.51 106.00 1ybj n ALA 81 Ca 0.17 0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.54 1ybj n ALA 81 Cb 0.30 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1ybj n ALA 81 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ybj n HIS 82 N -0.47 -1.69 -3.80 0.00 8.25 -1.23 -4.77 115.22 111.51 1ybj n HIS 82 Ca 0.00 0.57 -0.10 0.00 -0.26 0.00 0.00 57.72 57.93 1ybj n HIS 82 Cb 0.00 -3.51 -0.06 0.00 1.12 0.00 0.00 29.99 27.55 1ybj n HIS 82 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1ybj s THR 83 N -3.77 0.07 0.19 1.59 -4.23 -1.26 -4.92 115.64 103.31 1ybj s THR 83 Ca 0.21 -0.98 0.07 0.00 -1.18 0.00 0.00 61.69 59.81 1ybj s THR 83 Cb -0.08 -1.49 -0.04 0.00 1.34 0.00 0.00 72.50 72.23 1ybj s THR 83 CO 0.89 -0.33 0.07 -0.22 -0.54 0.00 0.00 174.62 174.49 1ybj s LEU 84 N -2.88 3.52 0.00 4.79 2.96 -1.26 0.17 118.68 125.98 1ybj s LEU 84 Ca 0.09 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 1ybj s LEU 84 Cb 0.02 -2.13 0.00 0.00 0.50 0.00 0.00 46.19 44.59 1ybj s LEU 84 CO -0.06 0.06 0.00 0.00 -1.32 0.00 0.00 176.35 175.02 1ybj n TYR 85 N -0.41 -0.14 -1.04 5.38 4.11 -0.96 -4.46 117.16 119.63 1ybj n TYR 85 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.81 1ybj n TYR 85 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.90 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 -1.65 4.00 -7.48 0.00 -1.07 -2.95 105.19 96.04 1ybj n GLY 86 Ca 0.00 -1.81 -0.18 0.00 0.00 0.00 0.00 46.02 44.03 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 2.74 -0.21 1.61 -0.44 0.48 -0.21 119.66 123.64 1ybj s GLN 87 Ca 0.00 -1.10 -0.16 0.00 -2.50 0.00 0.00 55.36 51.60 1ybj s GLN 87 Cb 0.00 -2.68 0.06 0.00 -1.64 0.00 0.00 33.01 28.75 1ybj s GLN 87 CO 0.00 -0.40 0.55 -1.17 0.50 0.00 0.00 175.29 174.76 1ybj s LEU 88 N -4.47 -0.28 0.01 3.68 2.96 0.15 -1.57 118.68 119.16 1ybj s LEU 88 Ca 0.56 1.14 0.00 0.00 -0.22 0.00 0.00 54.13 55.61 1ybj s LEU 88 Cb -0.10 1.86 0.00 0.00 0.50 0.00 0.00 46.19 48.45 1ybj s LEU 88 CO 0.35 -0.20 0.00 -0.67 -1.32 0.00 0.00 176.35 174.50 1ybj n ASP 89 N 3.46 0.00 -4.25 3.68 -0.08 -0.75 -0.62 116.55 118.00 1ybj n ASP 89 Ca -0.17 0.01 -0.16 0.00 -1.51 0.00 0.00 54.79 52.95 1ybj n ASP 89 Cb 0.56 0.01 -0.11 0.00 2.34 0.00 0.00 41.12 43.93 1ybj n ASP 89 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1ybj s SER 90 N -5.01 1.93 0.08 1.67 1.04 -1.00 -1.61 113.70 110.81 1ybj s SER 90 Ca 0.00 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.53 1ybj s SER 90 Cb 0.00 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 1ybj s SER 90 CO 0.00 -0.22 -0.04 -0.76 0.98 0.00 0.00 173.24 173.20 1ybj s LEU 91 N -2.79 2.43 -0.23 2.42 2.01 0.50 -1.06 118.68 121.96 1ybj s LEU 91 Ca 0.13 -1.02 -0.03 0.00 0.01 0.00 0.00 54.13 53.21 1ybj s LEU 91 Cb -0.02 0.08 0.11 0.00 0.01 0.00 0.00 46.19 46.38 1ybj s LEU 91 CO 0.02 -0.55 0.29 -0.44 1.01 0.00 0.00 176.35 176.69 1ybj s SER 92 N -2.99 0.93 0.18 2.29 0.01 0.28 0.12 113.70 114.52 1ybj s SER 92 Ca 0.11 -0.10 -0.11 0.00 1.31 0.00 0.00 55.95 57.16 1ybj s SER 92 Cb 0.07 0.70 -0.07 0.00 0.21 0.00 0.00 66.02 66.93 1ybj s SER 92 CO -0.06 -0.32 0.51 -0.36 0.41 0.00 0.00 173.24 173.42 1ybj s PHE 93 N 2.42 3.50 -0.38 2.43 0.40 0.10 0.14 117.98 126.60 1ybj s PHE 93 Ca 0.10 0.89 0.00 0.00 -0.60 0.00 0.00 56.93 57.31 1ybj s PHE 93 Cb -0.15 -2.25 0.00 0.00 0.51 0.00 0.00 43.02 41.12 1ybj s PHE 93 CO -0.16 0.36 0.00 0.41 0.70 0.00 0.00 175.22 176.53 1ybj n GLY 94 N 0.30 -0.74 2.86 4.36 0.00 -0.41 -2.11 105.19 109.45 1ybj n GLY 94 Ca -0.03 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 1ybj n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ybj s ASP 95 N -4.00 1.13 0.00 1.61 1.01 -1.19 -0.24 116.67 115.00 1ybj s ASP 95 Ca 0.00 -0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.14 1ybj s ASP 95 Cb 0.00 -0.45 0.00 0.00 1.01 0.00 0.00 42.92 43.48 1ybj s ASP 95 CO 0.00 -0.09 0.00 0.61 0.21 0.00 0.00 175.17 175.90 1ybj n GLY 96 N 4.34 -3.40 3.78 0.21 0.00 0.13 -2.42 105.19 107.84 1ybj n GLY 96 Ca -0.20 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.12 4.52 0.16 0.99 1.43 -1.25 0.13 118.68 124.54 1ybj s LEU 97 Ca 0.00 1.62 0.01 0.00 -1.03 0.00 0.00 54.13 54.74 1ybj s LEU 97 Cb 0.00 -3.43 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 1ybj s LEU 97 CO 0.00 0.14 0.31 -0.94 0.23 0.00 0.00 176.35 176.09 1ybj s SER 98 N -1.30 6.36 -0.35 2.29 1.04 0.16 -0.31 113.70 121.58 1ybj s SER 98 Ca 0.39 0.25 -0.15 0.00 0.48 0.00 0.00 55.95 56.91 1ybj s SER 98 Cb -0.21 -1.94 -0.01 0.00 0.10 0.00 0.00 66.02 63.96 1ybj s SER 98 CO 0.25 0.03 0.37 -0.83 0.98 0.00 0.00 173.24 174.05 1ybj s GLY 99 N -3.15 1.90 0.14 7.32 0.00 -1.26 -2.66 107.32 109.61 1ybj s GLY 99 Ca 0.36 -1.24 0.26 0.00 0.00 0.00 0.00 44.72 44.10 1ybj s GLY 99 CO 0.29 1.01 1.62 0.61 0.00 0.00 0.00 173.10 176.63 1ybj n GLY 100 N 4.97 -1.55 5.24 0.20 0.00 -1.25 -4.96 105.19 107.83 1ybj n GLY 100 Ca -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1ybj n GLY 100 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ybj n ASP 101 N -2.06 0.00 -0.92 1.61 2.03 -1.26 -0.42 116.55 115.52 1ybj n ASP 101 Ca 0.05 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.48 1ybj n ASP 101 Cb 0.42 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.94 1ybj n ASP 101 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1ybj n THR 102 N 0.00 0.00 -4.20 5.18 -2.24 -1.26 -4.89 114.28 106.87 1ybj n THR 102 Ca 0.00 -0.48 -0.24 0.00 -2.27 0.00 0.00 64.05 61.06 1ybj n THR 102 Cb 0.00 1.44 -0.07 0.00 -2.10 0.00 0.00 70.33 69.59 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 -2.01 4.43 0.65 3.42 0.01 0.44 -5.11 113.70 115.53 1ybj s SER 103 Ca 0.28 -0.93 -0.17 0.00 1.31 0.00 0.00 55.95 56.44 1ybj s SER 103 Cb 0.20 -0.59 -0.00 0.00 0.21 0.00 0.00 66.02 65.83 1ybj s SER 103 CO 0.31 -0.33 1.20 -2.84 0.41 0.00 0.00 173.24 171.99 1ybj s PRO 104 N -3.81 2.61 0.71 12.44 0.02 -1.26 -3.83 135.00 141.88 1ybj s PRO 104 Ca 0.37 1.78 -0.15 0.00 0.02 0.00 0.00 61.00 63.02 1ybj s PRO 104 Cb 0.00 -1.89 0.03 0.00 0.02 0.00 0.00 34.50 32.66 1ybj s PRO 104 CO 0.21 -1.47 1.15 0.71 -0.33 0.00 0.00 177.00 177.27 1ybj s TYR 105 N -1.80 2.31 0.04 6.54 2.02 -1.26 -3.80 117.35 121.40 1ybj s TYR 105 Ca 0.76 1.59 -0.04 0.00 -0.37 0.00 0.00 57.07 59.01 1ybj s TYR 105 Cb -0.29 -3.31 -0.02 0.00 -0.40 0.00 0.00 41.96 37.94 1ybj s TYR 105 CO 0.39 -2.16 0.05 -1.54 -1.57 0.00 0.00 175.55 170.72 1ybj s SER 106 N -2.37 0.26 -0.21 2.29 1.04 -1.09 -4.96 113.70 108.67 1ybj s SER 106 Ca 0.70 -0.65 -0.21 0.00 0.48 0.00 0.00 55.95 56.27 1ybj s SER 106 Cb -0.24 0.21 -0.02 0.00 0.10 0.00 0.00 66.02 66.06 1ybj s SER 106 CO 0.44 -0.51 0.64 -0.63 0.98 0.00 0.00 173.24 174.16 1ybj s ILE 107 N -2.82 5.01 0.21 -1.02 1.09 -1.26 0.37 121.20 122.77 1ybj s ILE 107 Ca -0.03 1.19 -0.07 0.00 -1.10 0.00 0.00 60.65 60.64 1ybj s ILE 107 Cb 0.00 -3.95 0.14 0.00 -1.06 0.00 0.00 42.46 37.59 1ybj s ILE 107 CO -0.06 0.09 1.75 1.56 -0.10 0.00 0.00 174.94 178.19 1ybj h GLN 108 N 7.56 1.14 -3.51 2.79 4.20 -0.42 -3.28 115.11 123.59 1ybj h GLN 108 Ca -0.30 -0.24 -0.70 0.00 0.06 0.00 0.00 58.65 57.46 1ybj h GLN 108 Cb 1.14 -0.17 -0.35 0.00 0.30 0.00 0.00 27.48 28.40 1ybj h GLN 108 CO 0.78 0.97 -0.31 0.08 -0.67 0.00 0.00 178.83 179.68 1ybj s VAL 109 N -5.40 3.87 -0.66 -0.54 1.01 -1.02 -5.00 120.40 112.67 1ybj s VAL 109 Ca -0.12 -3.17 -0.26 0.00 0.00 0.00 0.00 61.98 58.43 1ybj s VAL 109 Cb 0.15 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 32.98 1ybj s VAL 109 CO 0.84 -0.93 2.14 -2.16 0.00 0.00 0.00 175.10 175.00 1ybj s PRO 110 N -0.36 2.27 0.00 2.72 0.04 -1.24 -3.13 135.00 135.30 1ybj s PRO 110 Ca 0.19 0.68 0.00 0.00 0.04 0.00 0.00 61.00 61.91 1ybj s PRO 110 Cb -0.17 -4.64 0.00 0.00 0.04 0.00 0.00 34.50 29.73 1ybj s PRO 110 CO -0.05 -3.31 0.00 -0.25 0.04 0.00 0.00 177.00 173.42 1ybj n ASP 111 N 14.98 0.00 -4.74 6.66 8.00 -0.90 -4.60 116.55 135.95 1ybj n ASP 111 Ca 0.33 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.42 1ybj n ASP 111 Cb 0.51 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.60 1ybj n ASP 111 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1ybj n VAL 112 N 0.00 1.70 -4.55 2.53 0.31 -1.24 -4.07 118.33 113.02 1ybj n VAL 112 Ca 0.00 -0.42 -0.27 0.00 -0.01 0.00 0.00 64.34 63.64 1ybj n VAL 112 Cb 0.00 -1.83 -0.08 0.00 -0.91 0.00 0.00 33.84 31.02 1ybj n VAL 112 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1ybj s SER 113 N -0.00 2.99 0.02 4.52 0.01 -0.15 0.02 113.70 121.10 1ybj s SER 113 Ca 0.57 -1.70 0.01 0.00 1.31 0.00 0.00 55.95 56.14 1ybj s SER 113 Cb -0.52 0.56 -0.01 0.00 0.21 0.00 0.00 66.02 66.26 1ybj s SER 113 CO 0.59 -0.95 -0.03 -0.36 0.41 0.00 0.00 173.24 172.89 1ybj s PHE 114 N -3.16 0.30 -0.23 2.43 0.40 0.12 -0.08 117.98 117.77 1ybj s PHE 114 Ca 0.21 -0.36 -0.26 0.00 -0.60 0.00 0.00 56.93 55.91 1ybj s PHE 114 Cb 0.02 -0.20 0.07 0.00 0.51 0.00 0.00 43.02 43.42 1ybj s PHE 114 CO 0.13 -0.11 0.73 0.20 0.70 0.00 0.00 175.22 176.88 1ybj s GLY 115 N -1.03 -0.52 0.00 4.36 0.00 -0.93 -0.37 107.32 108.82 1ybj s GLY 115 Ca -0.09 1.93 0.00 0.00 0.00 0.00 0.00 44.72 46.56 1ybj s GLY 115 CO -0.00 1.59 0.00 0.61 0.00 0.00 0.00 173.10 175.30 1ybj n GLY 116 N 2.29 1.03 0.11 0.20 0.00 -0.75 -0.25 105.19 107.83 1ybj n GLY 116 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.19 -1.21 0.99 3.38 -1.57 -3.28 115.31 113.44 1ybj h LEU 117 Ca 0.00 0.05 -0.43 0.00 0.09 0.00 0.00 57.88 57.58 1ybj h LEU 117 Cb 0.00 0.11 0.04 0.00 0.09 0.00 0.00 40.66 40.90 1ybj h LEU 117 CO 0.00 -0.08 -0.76 -3.20 0.09 0.00 0.00 178.44 174.49 1ybj n ASN 118 N -5.19 -4.02 -4.37 -0.43 5.15 -1.02 -4.96 115.26 100.42 1ybj n ASN 118 Ca -0.04 -0.73 -0.39 0.00 -0.60 0.00 0.00 54.58 52.82 1ybj n ASN 118 Cb 0.12 -4.28 -0.12 0.00 -0.53 0.00 0.00 39.78 34.97 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 -7.07 4.31 -0.16 1.20 1.43 0.21 -4.96 118.68 113.64 1ybj s LEU 119 Ca 0.43 -0.84 -0.05 0.00 -1.03 0.00 0.00 54.13 52.65 1ybj s LEU 119 Cb -0.21 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 1ybj s LEU 119 CO 0.80 -0.28 -0.00 -0.94 0.23 0.00 0.00 176.35 176.15 1ybj s SER 120 N 1.53 5.12 0.02 2.29 1.04 -1.26 -0.67 113.70 121.77 1ybj s SER 120 Ca 0.02 -0.03 0.02 0.00 0.48 0.00 0.00 55.95 56.44 1ybj s SER 120 Cb -0.18 -1.82 -0.04 0.00 0.10 0.00 0.00 66.02 64.08 1ybj s SER 120 CO 0.05 0.19 -0.00 -0.44 0.98 0.00 0.00 173.24 174.02 1ybj s SER 121 N 0.25 5.06 0.70 7.02 0.01 0.71 -4.95 113.70 122.50 1ybj s SER 121 Ca -0.00 -0.05 -0.11 0.00 1.31 0.00 0.00 55.95 57.10 1ybj s SER 121 Cb -0.13 -1.29 0.02 0.00 0.21 0.00 0.00 66.02 64.83 1ybj s SER 121 CO 0.02 0.26 1.08 -0.76 0.41 0.00 0.00 173.24 174.24 1ybj s LEU 122 N -1.71 2.91 0.08 2.44 1.43 -1.26 -2.59 118.68 119.99 1ybj s LEU 122 Ca 0.21 1.03 -0.32 0.00 -1.03 0.00 0.00 54.13 54.02 1ybj s LEU 122 Cb -0.12 -3.80 -0.14 0.00 0.03 0.00 0.00 46.19 42.16 1ybj s LEU 122 CO 0.12 -1.36 1.50 -0.61 0.23 0.00 0.00 176.35 176.23 1ybj h GLN 123 N -0.62 -0.76 -0.45 1.70 5.75 -1.97 -2.97 115.11 115.78 1ybj h GLN 123 Ca -0.45 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.10 1ybj h GLN 123 Cb 1.26 0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.98 1ybj h GLN 123 CO 0.64 -0.51 0.00 0.00 -2.65 0.00 0.00 178.83 176.31 1ybj n ALA 124 N -2.82 2.48 0.15 3.38 0.00 -1.26 -2.95 120.51 119.49 1ybj n ALA 124 Ca -0.09 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.38 1ybj n ALA 124 Cb 0.39 -1.00 0.12 0.00 0.00 0.00 0.00 19.45 18.97 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 0.01 0.00 0.00 0.00 4.20 -1.90 -3.47 115.11 113.95 1ybj h GLN 125 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ybj h GLN 125 Cb 0.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1ybj h GLN 125 CO 0.00 0.51 0.00 0.41 -0.67 0.00 0.00 178.83 179.08 1ybj n GLY 126 N 0.88 3.51 0.17 3.46 0.00 -1.15 -0.66 105.19 111.39 1ybj n GLY 126 Ca 0.01 0.24 0.07 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.29 115.15 111.55 1ybj h HIS 127 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 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 0.28 -0.47 0.22 -0.00 0.00 0.00 177.93 177.95 1ybj h ASP 128 N 0.00 0.00 -2.52 3.26 3.58 -1.28 -3.35 116.42 116.12 1ybj h ASP 128 Ca -0.00 -0.01 -0.53 0.00 0.42 0.00 0.00 57.03 56.91 1ybj h ASP 128 Cb 1.21 0.00 0.05 0.00 1.72 0.00 0.00 39.33 42.31 1ybj h ASP 128 CO 0.04 0.00 1.07 0.61 -2.88 0.00 0.00 179.24 178.08 1ybj n GLY 129 N 1.15 1.61 0.41 -0.78 0.00 -0.93 -4.84 105.19 101.82 1ybj n GLY 129 Ca 0.02 0.69 0.21 0.00 0.00 0.00 0.00 46.02 46.95 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 4.41 0.68 -0.03 1.61 -1.51 -1.92 0.20 116.25 119.69 1ybj h VAL 130 Ca -0.45 -0.08 -0.00 0.00 -1.23 0.00 0.00 66.70 64.94 1ybj h VAL 130 Cb 1.22 0.43 -0.00 0.00 -2.13 0.00 0.00 31.29 30.81 1ybj h VAL 130 CO 0.95 0.04 0.01 -0.37 -1.23 0.00 0.00 177.57 176.97 1ybj h VAL 131 N 0.23 1.15 -0.90 7.19 -1.51 -1.89 -1.42 116.25 119.10 1ybj h VAL 131 Ca 0.40 -0.44 0.07 0.00 -1.23 0.00 0.00 66.70 65.49 1ybj h VAL 131 Cb 1.22 1.40 -0.06 0.00 -2.13 0.00 0.00 31.29 31.72 1ybj h VAL 131 CO -0.09 0.12 0.56 -0.74 -1.23 0.00 0.00 177.57 176.19 1ybj h HIS 132 N -0.14 1.04 0.42 5.19 6.17 -1.22 -2.76 115.15 123.85 1ybj h HIS 132 Ca 0.01 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.10 1ybj h HIS 132 Cb 0.18 -0.34 -0.01 0.00 2.52 0.00 0.00 27.41 29.77 1ybj h HIS 132 CO -0.01 0.53 -0.31 1.96 0.71 0.00 0.00 177.93 180.81 1ybj h GLN 133 N 1.02 -0.67 -0.96 5.26 1.08 -1.05 -2.82 115.11 116.98 1ybj h GLN 133 Ca 0.40 0.05 0.08 0.00 -1.45 0.00 0.00 58.65 57.72 1ybj h GLN 133 Cb 0.19 0.15 -0.07 0.00 -0.05 0.00 0.00 27.48 27.70 1ybj h GLN 133 CO -0.18 -0.44 0.62 -0.39 -0.95 0.00 0.00 178.83 177.48 1ybj h VAL 134 N -0.69 1.03 0.55 -0.54 -1.51 -1.11 0.15 116.25 114.13 1ybj h VAL 134 Ca -0.05 -0.36 -0.03 0.00 -1.23 0.00 0.00 66.70 65.03 1ybj h VAL 134 Cb 0.57 -0.11 0.01 0.00 -2.13 0.00 0.00 31.29 29.62 1ybj h VAL 134 CO 0.02 0.19 -0.27 0.58 -1.23 0.00 0.00 177.57 176.87 1ybj h VAL 135 N 1.05 0.27 0.00 7.19 2.07 -1.52 0.12 116.25 125.44 1ybj h VAL 135 Ca 0.43 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1ybj h VAL 135 Cb 0.28 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1ybj h VAL 135 CO -0.18 0.04 0.00 1.88 0.02 0.00 0.00 177.57 179.33 1ybj h TYR 136 N -1.05 0.00 0.28 1.57 -1.99 -1.28 0.33 116.97 114.82 1ybj h TYR 136 Ca -0.08 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.64 1ybj h TYR 136 Cb 0.64 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.37 1ybj h TYR 136 CO 0.01 0.00 -0.13 0.78 -0.00 0.00 0.00 178.16 178.81 1ybj h GLY 137 N 1.74 -0.39 -0.00 3.88 0.00 -0.58 -3.04 103.07 104.69 1ybj h GLY 137 Ca 0.00 0.14 0.08 0.00 0.00 0.00 0.00 47.33 47.55 1ybj h GLY 137 CO 0.00 -0.14 -0.23 1.41 0.00 0.00 0.00 176.54 177.58 1ybj h LEU 138 N -0.94 -0.78 -2.12 3.11 -0.00 0.51 0.54 115.31 115.63 1ybj h LEU 138 Ca -0.04 0.16 0.08 0.00 -0.00 0.00 0.00 57.88 58.08 1ybj h LEU 138 Cb 0.50 0.40 -0.01 0.00 -0.00 0.00 0.00 40.66 41.54 1ybj h LEU 138 CO 0.06 -0.26 0.27 0.24 -0.00 0.00 0.00 178.44 178.75 1ybj h MET 139 N -0.18 0.00 -0.01 1.13 2.86 -0.53 0.71 114.93 118.91 1ybj h MET 139 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1ybj h MET 139 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1ybj h MET 139 CO -0.48 0.00 -0.64 0.43 1.06 0.00 0.00 176.91 177.29 1ybj n SER 140 N -3.94 1.65 -0.08 1.22 7.64 -0.13 -4.36 113.62 115.63 1ybj n SER 140 Ca 0.04 -1.31 0.00 0.00 1.01 0.00 0.00 58.87 58.61 1ybj n SER 140 Cb 0.42 0.63 0.00 0.00 -1.01 0.00 0.00 64.21 64.25 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 1.44 0.84 3.20 0.23 0.00 0.24 -4.97 105.19 106.18 1ybj n GLY 141 Ca 0.08 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.73 2.92 0.00 1.61 2.15 0.17 -4.79 116.67 115.99 1ybj s ASP 142 Ca 0.00 -0.52 0.14 0.00 0.43 0.00 0.00 52.55 52.60 1ybj s ASP 142 Cb 0.00 -1.28 0.17 0.00 -0.30 0.00 0.00 42.92 41.51 1ybj s ASP 142 CO 0.00 0.15 1.03 0.35 -0.17 0.00 0.00 175.17 176.53 1ybj n THR 143 N 3.49 0.20 -0.34 1.71 -2.24 -1.26 -2.69 114.28 113.15 1ybj n THR 143 Ca -0.19 -0.60 0.09 0.00 -2.27 0.00 0.00 64.05 61.08 1ybj n THR 143 Cb 0.53 1.13 0.28 0.00 -2.10 0.00 0.00 70.33 70.18 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 2.75 1.59 1.62 3.38 0.00 -1.95 0.26 103.07 110.73 1ybj h GLY 144 Ca 0.00 -0.39 -0.17 0.00 0.00 0.00 0.00 47.33 46.78 1ybj h GLY 144 CO 0.00 0.10 -0.99 0.00 0.00 0.00 0.00 176.54 175.65 1ybj h ALA 145 N 1.57 0.60 0.06 3.60 0.00 -1.91 -3.18 119.26 120.00 1ybj h ALA 145 Ca 0.51 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ybj h ALA 145 Cb 0.62 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ybj h ALA 145 CO -0.28 0.95 -0.03 1.25 0.00 0.00 0.00 179.25 181.15 1ybj h LEU 146 N 0.00 -0.07 -1.65 0.00 6.46 -1.32 0.84 115.31 119.58 1ybj h LEU 146 Ca -0.08 -0.40 0.06 0.00 -0.12 0.00 0.00 57.88 57.34 1ybj h LEU 146 Cb 1.60 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 41.51 1ybj h LEU 146 CO 0.08 0.38 0.32 1.05 -0.62 0.00 0.00 178.44 179.65 1ybj h GLU 147 N -0.52 0.42 -0.11 1.25 4.11 -1.27 0.27 114.58 118.73 1ybj h GLU 147 Ca -0.01 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 1ybj h GLU 147 Cb 0.46 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ybj h GLU 147 CO 0.01 0.28 -0.03 1.15 0.07 0.00 0.00 179.01 180.49 1ybj h THR 148 N 0.43 1.30 -0.67 -1.06 2.02 -1.49 -1.81 112.91 111.63 1ybj h THR 148 Ca 0.21 -0.99 -0.03 0.00 0.77 0.00 0.00 66.41 66.37 1ybj h THR 148 Cb 0.28 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 1ybj h THR 148 CO -0.05 0.28 0.31 0.00 0.37 0.00 0.00 175.52 176.43 1ybj h ALA 149 N 0.67 0.87 -0.76 6.16 0.00 0.32 -2.40 119.26 124.13 1ybj h ALA 149 Ca 0.03 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1ybj h ALA 149 Cb 0.46 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 1ybj h ALA 149 CO 0.01 0.45 0.42 -0.07 0.00 0.00 0.00 179.25 180.06 1ybj h LEU 150 N 0.94 0.60 0.00 0.00 3.38 -0.49 0.42 115.31 120.17 1ybj h LEU 150 Ca 0.23 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1ybj h LEU 150 Cb 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1ybj h LEU 150 CO -0.03 0.36 0.07 0.59 0.09 0.00 0.00 178.44 179.52 1ybj n ASN 151 N -4.77 0.00 0.03 -0.43 3.02 -0.69 -1.50 115.26 110.92 1ybj n ASN 151 Ca 0.12 0.39 -0.20 0.00 -0.03 0.00 0.00 54.58 54.86 1ybj n ASN 151 Cb 0.24 -0.39 -0.10 0.00 -0.61 0.00 0.00 39.78 38.93 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 0.80 0.13 7.41 0.00 -0.91 -2.79 103.07 107.71 1ybj h GLY 152 Ca 0.00 -1.34 -0.18 0.00 0.00 0.00 0.00 47.33 45.81 1ybj h GLY 152 CO 0.00 1.19 -0.98 -2.22 0.00 0.00 0.00 176.54 174.52 1ybj h ILE 153 N 0.41 1.16 -0.91 2.60 5.03 -1.40 -3.39 117.51 121.02 1ybj h ILE 153 Ca -0.11 -2.27 0.14 0.00 -0.12 0.00 0.00 64.86 62.49 1ybj h ILE 153 Cb 1.63 2.64 -0.09 0.00 -3.03 0.00 0.00 36.82 37.96 1ybj h ILE 153 CO 0.19 0.48 0.52 -0.07 -0.68 0.00 0.00 178.15 178.60 1ybj h LEU 154 N -0.83 0.70 -2.58 1.44 -0.00 -1.55 -0.96 115.31 111.52 1ybj h LEU 154 Ca -0.25 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 1ybj h LEU 154 Cb 1.34 -0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.94 1ybj h LEU 154 CO -0.09 0.33 0.02 -0.78 -0.00 0.00 0.00 178.44 177.92 1ybj h ASP 155 N 0.77 0.00 0.71 -0.43 3.58 -1.56 0.37 116.42 119.87 1ybj h ASP 155 Ca 0.47 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.80 1ybj h ASP 155 Cb 0.59 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 1ybj h ASP 155 CO -0.32 0.00 -0.58 -0.78 -2.88 0.00 0.00 179.24 174.68 1ybj h ASP 156 N 0.00 0.00 -0.01 2.28 3.58 -1.36 -2.91 116.42 118.00 1ybj h ASP 156 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1ybj h ASP 156 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1ybj h ASP 156 CO -0.00 0.58 -0.67 -1.22 -2.88 0.00 0.00 179.24 175.05 1ybj n TYR 157 N -3.70 0.00 -0.88 0.28 4.01 0.09 -4.98 117.16 111.98 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 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 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 1.40 1.26 0.00 2.72 0.00 0.97 -4.87 105.19 106.66 1ybj n GLY 158 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 0.99 7.99 0.74 -4.93 117.00 121.79 1ybj n LEU 159 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 56.01 55.94 1ybj n LEU 159 Cb 0.22 0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.55 1ybj n LEU 159 CO 0.00 -0.13 0.57 -1.54 -1.51 0.00 0.00 177.39 174.78 1ybj n SER 160 N -1.11 -1.89 0.27 -1.43 3.41 -1.26 -3.67 113.62 107.93 1ybj n SER 160 Ca 0.00 -2.21 0.18 0.00 -0.26 0.00 0.00 58.87 56.58 1ybj n SER 160 Cb 0.00 3.13 0.94 0.00 -0.26 0.00 0.00 64.21 68.02 1ybj n SER 160 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1ybj h VAL 161 N 1.89 0.29 -0.16 -3.33 3.04 -1.91 -1.97 116.25 114.10 1ybj h VAL 161 Ca -0.28 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 1ybj h VAL 161 Cb 1.10 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 1ybj h VAL 161 CO 0.36 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.51 1ybj n ASN 162 N -3.49 1.49 -4.83 3.17 3.02 -1.26 -0.85 115.26 112.51 1ybj n ASN 162 Ca -0.01 -2.10 -0.36 0.00 -0.03 0.00 0.00 54.58 52.08 1ybj n ASN 162 Cb 0.23 -0.31 -0.06 0.00 -0.61 0.00 0.00 39.78 39.04 1ybj n ASN 162 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ybj s SER 163 N -0.64 6.94 0.35 6.41 0.15 -0.74 -4.72 113.70 121.44 1ybj s SER 163 Ca 0.13 1.20 -0.28 0.00 0.70 0.00 0.00 55.95 57.70 1ybj s SER 163 Cb 0.08 -2.34 -0.10 0.00 -1.71 0.00 0.00 66.02 61.96 1ybj s SER 163 CO 0.06 0.13 1.23 -0.89 1.20 0.00 0.00 173.24 174.97 1ybj s THR 164 N -1.40 2.97 0.22 6.45 2.01 -1.26 -2.00 115.64 122.64 1ybj s THR 164 Ca 0.37 0.93 -0.14 0.00 0.31 0.00 0.00 61.69 63.16 1ybj s THR 164 Cb -0.16 -3.57 0.27 0.00 0.01 0.00 0.00 72.50 69.05 1ybj s THR 164 CO 0.20 0.18 1.42 0.49 -0.69 0.00 0.00 174.62 176.21 1ybj n PHE 165 N 0.63 0.11 -0.03 4.92 3.72 0.32 0.11 117.46 127.25 1ybj n PHE 165 Ca 0.01 1.12 -0.11 0.00 -0.05 0.00 0.00 57.45 58.42 1ybj n PHE 165 Cb 0.44 -0.89 -0.05 0.00 -0.94 0.00 0.00 39.48 38.03 1ybj n PHE 165 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 1ybj h ASP 166 N 0.00 0.18 0.24 4.37 3.58 -1.86 -1.40 116.42 121.54 1ybj h ASP 166 Ca 0.35 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1ybj h ASP 166 Cb 0.58 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1ybj h ASP 166 CO -0.91 0.26 0.00 0.00 -2.88 0.00 0.00 179.24 175.70 1ybj n GLN 167 N -4.91 0.21 -0.11 0.28 3.00 0.12 -0.79 117.38 115.17 1ybj n GLN 167 Ca -0.05 0.15 -0.19 0.00 -0.01 0.00 0.00 57.00 56.90 1ybj n GLN 167 Cb 0.10 -1.50 -0.07 0.00 0.00 0.00 0.00 30.24 28.76 1ybj n GLN 167 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1ybj n VAL 168 N -1.27 1.51 -0.13 5.09 0.31 0.71 -3.31 118.33 121.24 1ybj n VAL 168 Ca 0.07 -0.08 -0.06 0.00 -0.01 0.00 0.00 64.34 64.25 1ybj n VAL 168 Cb 0.11 -2.11 0.02 0.00 -0.91 0.00 0.00 33.84 30.94 1ybj n VAL 168 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ybj h ALA 169 N -0.89 0.51 -0.11 3.52 0.00 -1.16 -0.86 119.26 120.27 1ybj h ALA 169 Ca -0.34 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1ybj h ALA 169 Cb 1.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1ybj h ALA 169 CO -0.21 -0.15 -0.33 0.00 0.00 0.00 0.00 179.25 178.56 1ybj h ALA 170 N 1.21 1.25 -0.21 0.00 0.00 -1.20 -1.79 119.26 118.53 1ybj h ALA 170 Ca 0.17 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 1ybj h ALA 170 Cb 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1ybj h ALA 170 CO -0.12 0.51 -0.47 0.00 0.00 0.00 0.00 179.25 179.17 1ybj h ALA 171 N 1.48 0.79 0.00 0.00 0.00 -1.33 0.41 119.26 120.61 1ybj h ALA 171 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ybj h ALA 171 Cb 0.67 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ybj h ALA 171 CO 0.05 0.67 -0.24 1.79 0.00 0.00 0.00 179.25 181.51 1ybj h THR 172 N 0.43 0.00 0.04 0.00 1.35 -1.10 -0.62 112.91 113.01 1ybj h THR 172 Ca 0.02 -0.90 -0.16 0.00 -0.55 0.00 0.00 66.41 64.82 1ybj h THR 172 Cb 0.99 1.77 0.02 0.00 -1.73 0.00 0.00 68.15 69.20 1ybj h THR 172 CO 0.09 0.00 -0.67 0.00 -0.25 0.00 0.00 175.52 174.69 1ybj h ALA 173 N 2.10 0.02 0.00 6.62 0.00 -0.73 -3.42 119.26 123.86 1ybj h ALA 173 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1ybj h ALA 173 Cb 0.95 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ybj h ALA 173 CO 0.00 0.36 0.00 1.55 0.00 0.00 0.00 179.25 181.16 1ybj n VAL 174 N -4.19 0.00 -2.82 0.00 3.14 0.76 -5.06 118.33 110.16 1ybj n VAL 174 Ca -0.11 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.84 1ybj n VAL 174 Cb 0.72 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.47 1ybj n VAL 174 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1ybj s GLY 175 N 0.00 1.69 -0.01 7.55 0.00 0.11 -4.65 107.32 112.01 1ybj s GLY 175 Ca 0.00 -2.53 0.19 0.00 0.00 0.00 0.00 44.72 42.38 1ybj s GLY 175 CO 0.00 2.19 1.13 3.33 0.00 0.00 0.00 173.10 179.75 1ybj n VAL 176 N 5.89 0.04 -2.89 1.40 0.24 -1.26 -4.47 118.33 117.28 1ybj n VAL 176 Ca 0.23 -0.81 -0.13 0.00 -2.04 0.00 0.00 64.34 61.59 1ybj n VAL 176 Cb 0.49 0.89 0.01 0.00 -1.47 0.00 0.00 33.84 33.76 1ybj n VAL 176 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ybj n GLN 177 N 0.32 0.74 -0.70 7.34 10.64 -1.26 -5.12 117.38 129.34 1ybj n GLN 177 Ca -0.03 -2.19 0.00 0.00 -1.83 0.00 0.00 57.00 52.96 1ybj n GLN 177 Cb 1.02 -1.40 0.00 0.00 -0.86 0.00 0.00 30.24 29.01 1ybj n GLN 177 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81