#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 3.46 0.17 0.00 5.36 -1.20 -3.62 117.98 122.16 1ybj s PHE 2 Ca 0.00 0.68 -0.23 0.00 -0.96 0.00 0.00 56.93 56.42 1ybj s PHE 2 Cb 0.00 -2.10 0.06 0.00 -0.34 0.00 0.00 43.02 40.64 1ybj s PHE 2 CO 0.00 0.38 0.70 -1.12 -1.46 0.00 0.00 175.22 173.72 1ybj s SER 3 N -2.37 -0.43 -0.12 6.13 0.01 0.11 -4.57 113.70 112.46 1ybj s SER 3 Ca 0.43 -0.19 -0.21 0.00 1.31 0.00 0.00 55.95 57.29 1ybj s SER 3 Cb -0.12 0.59 -0.04 0.00 0.21 0.00 0.00 66.02 66.67 1ybj s SER 3 CO 0.23 -1.01 0.60 0.54 0.41 0.00 0.00 173.24 174.00 1ybj s VAL 4 N -3.67 5.09 -0.73 3.43 0.11 -1.26 -2.55 120.40 120.82 1ybj s VAL 4 Ca 0.05 1.19 -0.00 0.00 -2.93 0.00 0.00 61.98 60.28 1ybj s VAL 4 Cb -0.02 -3.93 0.37 0.00 -1.53 0.00 0.00 36.38 31.27 1ybj s VAL 4 CO -0.06 0.24 1.78 0.59 -3.33 0.00 0.00 175.10 174.32 1ybj n ASN 5 N 4.09 6.79 -4.79 3.54 3.02 0.74 -4.87 115.26 123.78 1ybj n ASN 5 Ca -0.03 -3.81 -0.33 0.00 -0.03 0.00 0.00 54.58 50.37 1ybj n ASN 5 Cb 0.51 -0.90 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 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 -3.93 2.90 -0.50 3.10 1.13 -1.26 -0.86 117.35 117.93 1ybj s TYR 6 Ca 0.51 1.54 -0.26 0.00 -1.41 0.00 0.00 57.07 57.45 1ybj s TYR 6 Cb 0.43 -3.08 -0.06 0.00 -1.10 0.00 0.00 41.96 38.15 1ybj s TYR 6 CO -0.34 -1.18 2.28 0.34 -2.51 0.00 0.00 175.55 174.14 1ybj s ASP 7 N -2.40 4.67 0.00 -0.18 2.15 -1.23 -4.76 116.67 114.91 1ybj s ASP 7 Ca 0.66 0.98 0.00 0.00 0.43 0.00 0.00 52.55 54.63 1ybj s ASP 7 Cb -0.18 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 1ybj s ASP 7 CO 0.32 -2.72 0.62 -0.24 -0.17 0.00 0.00 175.17 172.97 1ybj n SER 8 N 15.02 -1.23 0.00 -0.34 2.88 -1.26 -2.05 113.62 126.64 1ybj n SER 8 Ca 0.33 -0.80 0.00 0.00 -1.33 0.00 0.00 58.87 57.06 1ybj n SER 8 Cb 0.54 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 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 3.16 0.00 -1.37 -3.46 2.88 -1.26 -4.94 113.62 108.63 1ybj n SER 9 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ybj n SER 9 Cb 0.31 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.97 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 -0.22 1.29 -1.03 0.66 3.72 -0.87 -4.77 117.46 116.24 1ybj n PHE 10 Ca 0.00 -0.58 -0.37 0.00 -0.05 0.00 0.00 57.45 56.45 1ybj n PHE 10 Cb 0.00 -0.40 -0.04 0.00 -0.94 0.00 0.00 39.48 38.10 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 0.19 2.76 0.00 1.37 0.00 -1.26 -2.69 105.19 105.56 1ybj n GLY 11 Ca 0.19 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 4.29 0.74 3.78 -0.02 0.00 -1.26 -3.82 105.19 108.91 1ybj n GLY 12 Ca 0.48 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.11 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 3.82 0.26 1.61 1.51 -1.09 -4.74 117.35 118.71 1ybj s TYR 13 Ca 0.00 1.64 -0.29 0.00 -1.01 0.00 0.00 57.07 57.41 1ybj s TYR 13 Cb 0.00 -2.79 -0.09 0.00 -0.11 0.00 0.00 41.96 38.97 1ybj s TYR 13 CO 0.00 0.41 1.20 -1.12 -1.11 0.00 0.00 175.55 174.94 1ybj s SER 14 N -1.35 7.05 0.23 2.29 0.01 -1.26 0.11 113.70 120.79 1ybj s SER 14 Ca 0.41 2.39 -0.09 0.00 1.31 0.00 0.00 55.95 59.96 1ybj s SER 14 Cb -0.21 -2.63 0.38 0.00 0.21 0.00 0.00 66.02 63.77 1ybj s SER 14 CO 0.25 -0.35 1.64 0.40 0.41 0.00 0.00 173.24 175.59 1ybj h ILE 15 N 3.32 0.37 -0.60 1.44 1.08 0.02 0.51 117.51 123.65 1ybj h ILE 15 Ca -0.46 -0.03 0.13 0.00 -0.39 0.00 0.00 64.86 64.11 1ybj h ILE 15 Cb 1.22 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 35.20 1ybj h ILE 15 CO 0.70 0.02 0.41 -0.74 -0.69 0.00 0.00 178.15 177.84 1ybj h HIS 16 N 0.09 0.26 0.43 1.37 2.76 -1.39 -0.81 115.15 117.86 1ybj h HIS 16 Ca 0.38 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.54 1ybj h HIS 16 Cb 0.65 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.53 1ybj h HIS 16 CO -0.43 0.11 -0.21 -0.44 -1.30 0.00 0.00 177.93 175.66 1ybj h ASP 17 N 0.23 -0.49 -0.38 3.26 3.32 -0.25 -0.61 116.42 121.50 1ybj h ASP 17 Ca 0.28 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 1ybj h ASP 17 Cb 0.80 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1ybj h ASP 17 CO -0.06 -0.16 -0.03 0.22 -1.72 0.00 0.00 179.24 177.50 1ybj h TYR 18 N -0.85 0.77 -0.46 4.55 3.20 -1.33 -1.81 116.97 121.03 1ybj h TYR 18 Ca -0.06 -0.14 0.06 0.00 3.14 0.00 0.00 58.73 61.73 1ybj h TYR 18 Cb 0.56 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.58 1ybj h TYR 18 CO 0.01 0.80 0.17 -0.07 -1.64 0.00 0.00 178.16 177.43 1ybj h LEU 19 N 0.51 0.18 -0.65 2.82 3.38 -1.14 0.77 115.31 121.18 1ybj h LEU 19 Ca 0.11 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ybj h LEU 19 Cb 0.51 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1ybj h LEU 19 CO 0.03 0.14 0.41 1.23 0.09 0.00 0.00 178.44 180.33 1ybj h GLY 20 N 0.35 0.93 0.99 0.83 0.00 -1.04 -1.41 103.07 103.72 1ybj h GLY 20 Ca 0.22 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.14 1ybj h GLY 20 CO -0.22 0.36 0.22 -1.61 0.00 0.00 0.00 176.54 175.30 1ybj h GLN 21 N 0.88 0.84 -0.63 4.80 4.15 -0.25 0.80 115.11 125.69 1ybj h GLN 21 Ca 0.23 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1ybj h GLN 21 Cb -0.06 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.47 1ybj h GLN 21 CO -0.05 0.73 0.40 2.35 -1.93 0.00 0.00 178.83 180.33 1ybj h TRP 22 N 0.77 0.82 -0.05 3.99 7.01 0.70 -0.39 115.95 128.79 1ybj h TRP 22 Ca 0.19 0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.12 1ybj h TRP 22 Cb 0.20 -0.27 -0.01 0.00 -2.10 0.00 0.00 29.16 26.98 1ybj h TRP 22 CO 0.01 0.53 -0.33 0.00 -2.79 0.00 0.00 178.44 175.87 1ybj h ALA 23 N 1.21 1.37 -0.08 2.65 0.00 -0.94 0.22 119.26 123.69 1ybj h ALA 23 Ca 0.23 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ybj h ALA 23 Cb -0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1ybj h ALA 23 CO -0.05 0.46 0.04 1.03 0.00 0.00 0.00 179.25 180.73 1ybj h SER 24 N 0.08 0.10 0.43 0.00 0.87 0.22 -1.18 113.55 114.08 1ybj h SER 24 Ca 0.01 -0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.39 1ybj h SER 24 Cb 0.62 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1ybj h SER 24 CO 0.05 0.20 -0.30 0.71 -0.53 0.00 0.00 176.83 176.95 1ybj h THR 25 N 0.00 1.03 0.00 2.23 1.35 -0.76 -2.20 112.91 114.57 1ybj h THR 25 Ca 0.03 -1.09 -0.00 0.00 -0.55 0.00 0.00 66.41 64.80 1ybj h THR 25 Cb 0.12 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1ybj h THR 25 CO -0.00 0.29 -0.00 0.15 -0.25 0.00 0.00 175.52 175.71 1ybj h PHE 26 N 0.00 -0.01 0.00 4.73 3.04 0.01 -2.00 116.94 122.71 1ybj h PHE 26 Ca -0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1ybj h PHE 26 Cb 0.59 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.10 1ybj h PHE 26 CO 0.00 0.11 0.00 0.78 -2.02 0.00 0.00 178.31 177.18 1ybj h GLY 27 N -0.12 0.00 -7.37 2.40 0.00 -1.15 -3.41 103.07 93.42 1ybj h GLY 27 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 1ybj h GLY 27 CO 0.00 0.00 1.15 -0.35 0.00 0.00 0.00 176.54 177.34 1ybj s ASP 28 N -5.62 5.46 0.56 0.19 2.15 -0.75 -4.84 116.67 113.80 1ybj s ASP 28 Ca 0.01 -0.20 0.28 0.00 0.43 0.00 0.00 52.55 53.07 1ybj s ASP 28 Cb 0.09 -2.55 1.63 0.00 -0.30 0.00 0.00 42.92 41.80 1ybj s ASP 28 CO 0.53 -2.34 2.17 -0.37 -0.17 0.00 0.00 175.17 174.99 1ybj h VAL 29 N 6.86 0.57 -0.00 1.11 -1.51 -1.82 -2.74 116.25 118.72 1ybj h VAL 29 Ca -0.13 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1ybj h VAL 29 Cb 1.09 1.16 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 1ybj h VAL 29 CO 1.24 0.06 -0.41 -0.46 -1.23 0.00 0.00 177.57 176.77 1ybj n ASN 30 N -3.78 0.80 -4.70 4.19 0.23 -1.26 -4.20 115.26 106.54 1ybj n ASN 30 Ca -0.02 -0.61 -0.42 0.00 -0.53 0.00 0.00 54.58 53.00 1ybj n ASN 30 Cb 0.15 0.24 -0.03 0.00 -2.08 0.00 0.00 39.78 38.06 1ybj n ASN 30 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1ybj s HIS 31 N -2.76 2.81 0.26 -2.53 2.46 -1.04 -5.00 115.29 109.50 1ybj s HIS 31 Ca 0.17 0.59 0.03 0.00 0.47 0.00 0.00 55.06 56.32 1ybj s HIS 31 Cb 0.18 -3.86 -0.01 0.00 -0.13 0.00 0.00 32.58 28.76 1ybj s HIS 31 CO 0.62 -3.28 0.10 0.25 -2.47 0.00 0.00 174.74 169.96 1ybj n THR 32 N 4.36 0.00 -3.54 0.89 -2.24 -1.26 -4.77 114.28 107.71 1ybj n THR 32 Ca 0.14 -1.55 0.00 0.00 -2.27 0.00 0.00 64.05 60.37 1ybj n THR 32 Cb 0.41 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 69.17 1ybj n THR 32 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ybj s ASN 33 N -2.62 -1.16 0.00 3.42 3.84 -1.26 -5.01 114.94 112.14 1ybj s ASN 33 Ca 0.14 1.41 0.12 0.00 0.21 0.00 0.00 52.86 54.74 1ybj s ASN 33 Cb 0.01 2.25 0.72 0.00 -0.55 0.00 0.00 41.25 43.67 1ybj s ASN 33 CO 0.10 -0.22 1.19 0.61 -2.79 0.00 0.00 177.10 175.99 1ybj n GLY 34 N 5.42 -0.60 0.63 1.21 0.00 -1.26 -1.81 105.19 108.78 1ybj n GLY 34 Ca -0.10 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.81 2.28 -4.65 1.61 3.02 -1.26 -4.95 115.26 110.50 1ybj n ASN 35 Ca 0.09 -1.64 -0.40 0.00 -0.03 0.00 0.00 54.58 52.60 1ybj n ASN 35 Cb 0.04 0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.21 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 -1.45 5.03 0.00 2.41 1.01 -0.75 -4.94 120.40 121.72 1ybj s VAL 36 Ca 0.19 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.28 1ybj s VAL 36 Cb 0.14 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1ybj s VAL 36 CO 0.23 0.11 0.00 0.35 0.00 0.00 0.00 175.10 175.79 1ybj n THR 37 N 4.77 0.00 0.07 3.92 -2.24 -1.26 -4.90 114.28 114.64 1ybj n THR 37 Ca -0.02 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.72 1ybj n THR 37 Cb 0.50 -0.58 -0.02 0.00 -2.10 0.00 0.00 70.33 68.12 1ybj n THR 37 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1ybj h ASP 38 N 0.00 -0.22 -4.50 3.42 1.82 -1.94 -3.50 116.42 111.51 1ybj h ASP 38 Ca 0.00 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 1ybj h ASP 38 Cb 0.00 0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.07 1ybj h ASP 38 CO 0.00 0.14 -0.35 0.00 -1.61 0.00 0.00 179.24 177.42 1ybj n ALA 39 N -2.60 -3.03 -2.27 -0.78 0.00 -0.64 -4.98 120.51 106.21 1ybj n ALA 39 Ca -0.03 0.76 -0.41 0.00 0.00 0.00 0.00 53.44 53.75 1ybj n ALA 39 Cb 0.10 -2.41 -0.04 0.00 0.00 0.00 0.00 19.45 17.10 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 -2.00 7.41 0.11 0.00 0.01 -0.90 -4.85 114.94 114.72 1ybj s ASN 40 Ca 0.15 1.86 0.03 0.00 -0.71 0.00 0.00 52.86 54.19 1ybj s ASN 40 Cb -0.04 -2.59 -0.23 0.00 0.41 0.00 0.00 41.25 38.80 1ybj s ASN 40 CO 0.51 -0.14 1.24 0.28 -1.51 0.00 0.00 177.10 177.48 1ybj h SER 41 N 5.66 0.15 0.00 -1.22 0.02 -1.93 -3.41 113.55 112.82 1ybj h SER 41 Ca -0.43 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1ybj h SER 41 Cb 1.21 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1ybj h SER 41 CO 0.73 1.12 0.00 0.61 -1.14 0.00 0.00 176.83 178.15 1ybj n GLY 42 N 1.39 -1.24 0.00 -3.77 0.00 -1.26 -0.66 105.19 99.65 1ybj n GLY 42 Ca -0.03 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.02 -0.59 3.25 -0.02 0.00 -1.07 -4.71 105.19 102.03 1ybj n GLY 43 Ca 0.00 0.22 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.66 -2.50 -2.13 1.61 3.72 -1.23 -4.88 117.46 111.39 1ybj n PHE 44 Ca 0.00 0.87 -0.42 0.00 -0.05 0.00 0.00 57.45 57.85 1ybj n PHE 44 Cb 0.00 -4.10 0.00 0.00 -0.94 0.00 0.00 39.48 34.44 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 -3.12 3.52 0.00 1.38 9.36 0.73 -3.59 117.16 125.45 1ybj n TYR 45 Ca -0.06 -2.92 0.00 0.00 3.32 0.00 0.00 57.90 58.23 1ybj n TYR 45 Cb 0.61 -2.31 0.00 0.00 -0.63 0.00 0.00 39.34 37.01 1ybj n TYR 45 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ybj n GLY 46 N 3.73 0.19 0.00 2.98 0.00 -1.01 -3.79 105.19 107.30 1ybj n GLY 46 Ca 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1ybj n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ybj n GLY 47 N -0.92 -0.32 0.21 -0.02 0.00 -0.59 -4.81 105.19 98.74 1ybj n GLY 47 Ca 0.00 0.43 -0.16 0.00 0.00 0.00 0.00 46.02 46.29 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 0.86 0.00 1.61 0.02 -2.01 -3.41 113.55 110.62 1ybj h SER 48 Ca 0.00 -0.56 -0.06 0.00 -0.84 0.00 0.00 61.79 60.32 1ybj h SER 48 Cb 0.00 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.22 1ybj h SER 48 CO 0.00 1.35 -0.14 0.00 -1.14 0.00 0.00 176.83 176.90 1ybj n LEU 49 N -3.91 -0.49 -3.95 5.07 -0.00 -1.26 -5.10 117.00 107.35 1ybj n LEU 49 Ca -0.07 -1.06 -0.11 0.00 -0.00 0.00 0.00 56.01 54.78 1ybj n LEU 49 Cb 0.74 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 44.14 1ybj n LEU 49 CO 0.52 1.03 0.31 -0.94 -0.00 0.00 0.00 177.39 178.31 1ybj s SER 50 N -0.49 0.28 0.00 1.45 1.04 -1.26 -3.10 113.70 111.61 1ybj s SER 50 Ca 0.00 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.26 1ybj s SER 50 Cb 0.00 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1ybj s SER 50 CO 0.00 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.43 1ybj n GLY 51 N -0.50 0.05 0.08 7.32 0.00 -0.59 -1.55 105.19 110.00 1ybj n GLY 51 Ca -0.03 -1.54 0.11 0.00 0.00 0.00 0.00 46.02 44.56 1ybj n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ybj n SER 52 N 1.43 0.70 -4.04 1.61 3.41 -1.25 -2.20 113.62 113.28 1ybj n SER 52 Ca 0.00 0.18 -0.14 0.00 -0.26 0.00 0.00 58.87 58.65 1ybj n SER 52 Cb 0.00 0.65 -0.12 0.00 -0.26 0.00 0.00 64.21 64.48 1ybj n SER 52 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1ybj s GLN 53 N -3.33 0.51 -0.24 4.33 0.74 -1.25 0.50 119.66 120.91 1ybj s GLN 53 Ca 0.00 -0.63 -0.02 0.00 0.05 0.00 0.00 55.36 54.76 1ybj s GLN 53 Cb 0.11 -0.33 0.13 0.00 1.10 0.00 0.00 33.01 34.02 1ybj s GLN 53 CO 0.80 0.07 0.35 -0.47 -0.55 0.00 0.00 175.29 175.49 1ybj s TYR 54 N -1.08 -0.73 0.27 1.67 5.04 -0.77 -0.19 117.35 121.56 1ybj s TYR 54 Ca -0.07 0.63 -0.03 0.00 -2.44 0.00 0.00 57.07 55.16 1ybj s TYR 54 Cb -0.08 -0.09 -0.05 0.00 0.35 0.00 0.00 41.96 42.10 1ybj s TYR 54 CO 0.00 -0.74 0.51 0.00 -1.34 0.00 0.00 175.55 173.98 1ybj s ALA 55 N 2.50 3.69 -0.12 3.97 0.00 -1.26 -1.04 121.76 129.49 1ybj s ALA 55 Ca 0.11 -0.68 -0.10 0.00 0.00 0.00 0.00 51.96 51.29 1ybj s ALA 55 Cb -0.15 -2.19 0.04 0.00 0.00 0.00 0.00 23.12 20.82 1ybj s ALA 55 CO -0.18 0.26 0.32 0.42 0.00 0.00 0.00 175.76 176.58 1ybj s ILE 56 N -2.06 -0.01 0.08 0.00 -1.09 0.10 -2.59 121.20 115.64 1ybj s ILE 56 Ca 0.42 0.03 0.06 0.00 -2.23 0.00 0.00 60.65 58.92 1ybj s ILE 56 Cb -0.11 -0.45 -0.03 0.00 -1.58 0.00 0.00 42.46 40.29 1ybj s ILE 56 CO 0.31 0.01 -0.15 -0.55 -1.23 0.00 0.00 174.94 173.33 1ybj s SER 57 N 0.40 1.84 -0.14 3.58 0.15 0.17 0.28 113.70 119.98 1ybj s SER 57 Ca -0.02 -0.66 -0.38 0.00 0.70 0.00 0.00 55.95 55.59 1ybj s SER 57 Cb -0.04 -0.06 -0.15 0.00 -1.71 0.00 0.00 66.02 64.06 1ybj s SER 57 CO -0.02 -0.07 1.71 -0.24 1.20 0.00 0.00 173.24 175.82 1ybj n SER 58 N 1.11 2.62 -1.67 5.45 2.88 -0.16 -4.84 113.62 119.02 1ybj n SER 58 Ca -0.20 1.05 -0.06 0.00 -1.33 0.00 0.00 58.87 58.33 1ybj n SER 58 Cb 0.55 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 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 4.35 2.31 0.00 2.46 -2.24 -1.26 -0.38 114.28 119.52 1ybj n THR 59 Ca 0.23 -0.95 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1ybj n THR 59 Cb 0.20 -1.48 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 1ybj n THR 59 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ybj n ALA 60 N 1.20 1.69 -0.11 6.98 0.00 -1.26 -4.90 120.51 124.11 1ybj n ALA 60 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1ybj n ALA 60 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1ybj n ALA 60 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1ybj n ASN 61 N -2.01 0.71 -3.31 0.00 0.23 -1.23 -4.56 115.26 105.09 1ybj n ASN 61 Ca 0.00 -0.90 -0.24 0.00 -0.53 0.00 0.00 54.58 52.91 1ybj n ASN 61 Cb 0.00 0.16 -0.05 0.00 -2.08 0.00 0.00 39.78 37.81 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 -0.16 -0.85 0.00 -3.83 6.02 0.49 -4.67 117.38 114.37 1ybj n GLN 62 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1ybj n GLN 62 Cb 0.03 -2.64 0.00 0.00 1.02 0.00 0.00 30.24 28.64 1ybj n GLN 62 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1ybj n VAL 63 N -2.64 0.00 -1.91 5.09 3.14 -1.26 -4.80 118.33 115.94 1ybj n VAL 63 Ca 0.03 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.09 1ybj n VAL 63 Cb 0.28 -0.62 -0.04 0.00 -1.06 0.00 0.00 33.84 32.40 1ybj n VAL 63 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1ybj s THR 64 N -1.76 3.29 0.56 1.55 2.01 -1.26 0.24 115.64 120.26 1ybj s THR 64 Ca 0.00 -0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.03 1ybj s THR 64 Cb 0.00 -3.71 0.04 0.00 0.01 0.00 0.00 72.50 68.84 1ybj s THR 64 CO 0.00 -0.68 0.36 0.00 -0.69 0.00 0.00 174.62 173.61 1ybj n ALA 65 N 14.25 0.81 -3.64 7.40 0.00 -0.21 -0.99 120.51 138.13 1ybj n ALA 65 Ca 0.31 -2.26 -0.09 0.00 0.00 0.00 0.00 53.44 51.40 1ybj n ALA 65 Cb 0.50 0.98 -0.08 0.00 0.00 0.00 0.00 19.45 20.85 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 -2.80 -0.91 -0.24 0.00 5.36 0.14 -2.77 117.98 116.76 1ybj s PHE 66 Ca 0.28 1.88 -0.05 0.00 -0.96 0.00 0.00 56.93 58.08 1ybj s PHE 66 Cb -0.02 0.50 -0.01 0.00 -0.34 0.00 0.00 43.02 43.15 1ybj s PHE 66 CO 0.18 -0.46 0.01 0.08 -1.46 0.00 0.00 175.22 173.56 1ybj s VAL 67 N 1.41 3.66 0.17 3.12 1.01 0.60 -0.72 120.40 129.66 1ybj s VAL 67 Ca -0.09 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 1ybj s VAL 67 Cb -0.06 -2.74 -0.06 0.00 0.00 0.00 0.00 36.38 33.53 1ybj s VAL 67 CO -0.16 0.32 0.43 0.00 0.00 0.00 0.00 175.10 175.69 1ybj s ALA 68 N 1.50 3.72 -0.17 5.51 0.00 -0.21 -1.24 121.76 130.88 1ybj s ALA 68 Ca 0.05 -0.47 -0.07 0.00 0.00 0.00 0.00 51.96 51.47 1ybj s ALA 68 Cb -0.15 -2.22 0.07 0.00 0.00 0.00 0.00 23.12 20.82 1ybj s ALA 68 CO -0.01 0.62 0.36 0.20 0.00 0.00 0.00 175.76 176.94 1ybj s GLY 69 N -2.40 -0.27 0.00 0.00 0.00 -0.19 -1.85 107.32 102.61 1ybj s GLY 69 Ca 0.43 1.33 0.00 0.00 0.00 0.00 0.00 44.72 46.48 1ybj s GLY 69 CO 0.23 2.05 0.00 0.61 0.00 0.00 0.00 173.10 175.99 1ybj n GLY 70 N 5.04 -1.21 2.75 0.20 0.00 0.18 -0.47 105.19 111.68 1ybj n GLY 70 Ca -0.13 0.71 -0.02 0.00 0.00 0.00 0.00 46.02 46.59 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 0.13 -4.71 1.61 4.05 0.81 -4.47 115.26 112.68 1ybj n ASN 71 Ca 0.00 -2.17 -0.43 0.00 0.45 0.00 0.00 54.58 52.43 1ybj n ASN 71 Cb 0.00 0.08 -0.03 0.00 1.23 0.00 0.00 39.78 41.06 1ybj n ASN 71 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1ybj n LEU 72 N -0.96 3.84 -3.86 1.20 4.77 -0.94 -1.91 117.00 119.14 1ybj n LEU 72 Ca -0.04 1.09 -0.17 0.00 -0.03 0.00 0.00 56.01 56.86 1ybj n LEU 72 Cb 0.84 -1.54 -0.16 0.00 -2.33 0.00 0.00 43.42 40.23 1ybj n LEU 72 CO -0.02 0.03 -0.38 -0.89 -1.33 0.00 0.00 177.39 174.80 1ybj s THR 73 N 0.76 0.27 -0.14 -5.08 2.01 0.03 -1.54 115.64 111.95 1ybj s THR 73 Ca 0.73 -0.01 -0.20 0.00 0.31 0.00 0.00 61.69 62.52 1ybj s THR 73 Cb -0.55 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 1ybj s THR 73 CO 0.38 0.15 0.56 -0.47 -0.69 0.00 0.00 174.62 174.55 1ybj s TYR 74 N 0.74 3.47 0.28 4.92 5.04 -1.18 -0.35 117.35 130.27 1ybj s TYR 74 Ca -0.08 0.95 -0.01 0.00 -2.44 0.00 0.00 57.07 55.48 1ybj s TYR 74 Cb -0.11 -2.68 0.41 0.00 0.35 0.00 0.00 41.96 39.92 1ybj s TYR 74 CO -0.01 0.02 1.85 1.79 -1.34 0.00 0.00 175.55 177.86 1ybj h THR 75 N 4.91 1.22 0.00 4.34 1.35 -0.36 -3.45 112.91 120.92 1ybj h THR 75 Ca -0.37 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 1ybj h THR 75 Cb 1.17 0.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1ybj h THR 75 CO 0.76 0.28 0.00 -0.11 -0.25 0.00 0.00 175.52 176.20 1ybj n LEU 76 N -4.30 0.00 -1.26 3.87 7.94 -1.26 -0.21 117.00 121.78 1ybj n LEU 76 Ca 0.05 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.06 1ybj n LEU 76 Cb 0.19 0.00 0.29 0.00 0.53 0.00 0.00 43.42 44.43 1ybj n LEU 76 CO 0.39 0.00 0.75 0.49 -1.11 0.00 0.00 177.39 177.92 1ybj n PHE 77 N 0.00 0.83 -1.95 1.96 3.01 -1.26 -2.02 117.46 118.03 1ybj n PHE 77 Ca 0.00 -0.41 -0.30 0.00 1.01 0.00 0.00 57.45 57.75 1ybj n PHE 77 Cb 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 39.48 39.66 1ybj n PHE 77 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1ybj s ASN 78 N -1.13 2.99 0.13 4.37 0.01 0.71 -4.91 114.94 117.12 1ybj s ASN 78 Ca 0.45 0.20 -0.26 0.00 -0.71 0.00 0.00 52.86 52.54 1ybj s ASN 78 Cb 0.24 -0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.67 1ybj s ASN 78 CO 0.32 -2.80 1.62 -0.33 -1.51 0.00 0.00 177.10 174.39 1ybj h GLU 79 N -1.68 -0.41 -0.88 -0.60 4.39 -1.92 -1.22 114.58 112.26 1ybj h GLU 79 Ca -0.44 0.03 0.11 0.00 0.34 0.00 0.00 59.36 59.40 1ybj h GLU 79 Cb 1.22 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.90 1ybj h GLU 79 CO 0.35 -0.27 0.57 -1.35 -1.16 0.00 0.00 179.01 177.15 1ybj h PRO 80 N -0.42 0.78 -3.85 2.33 0.11 -1.87 -3.48 132.00 125.59 1ybj h PRO 80 Ca 0.08 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1ybj h PRO 80 Cb 0.54 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1ybj h PRO 80 CO -0.30 0.52 -0.78 0.00 -0.21 0.00 0.00 178.00 177.23 1ybj n ALA 81 N -2.42 -2.22 -3.54 -0.75 0.00 -0.46 -4.73 120.51 106.39 1ybj n ALA 81 Ca 0.16 0.39 -0.24 0.00 0.00 0.00 0.00 53.44 53.74 1ybj n ALA 81 Cb 0.36 -1.24 0.05 0.00 0.00 0.00 0.00 19.45 18.62 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 1.52 -2.09 -3.88 0.00 8.25 -0.86 -4.88 115.22 113.28 1ybj n HIS 82 Ca 0.00 0.66 -0.09 0.00 -0.26 0.00 0.00 57.72 58.03 1ybj n HIS 82 Cb 0.00 -3.85 -0.07 0.00 1.12 0.00 0.00 29.99 27.19 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 -3.48 0.10 0.09 1.59 -4.23 -1.26 -4.93 115.64 103.51 1ybj s THR 83 Ca 0.38 -1.20 0.02 0.00 -1.18 0.00 0.00 61.69 59.71 1ybj s THR 83 Cb -0.10 -1.56 -0.04 0.00 1.34 0.00 0.00 72.50 72.14 1ybj s THR 83 CO 0.81 -0.44 0.19 -0.22 -0.54 0.00 0.00 174.62 174.42 1ybj s LEU 84 N -2.90 4.18 0.00 4.79 2.96 -1.26 0.44 118.68 126.88 1ybj s LEU 84 Ca 0.10 0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 1ybj s LEU 84 Cb 0.04 -2.80 0.00 0.00 0.50 0.00 0.00 46.19 43.93 1ybj s LEU 84 CO -0.06 0.14 0.00 0.00 -1.32 0.00 0.00 176.35 175.11 1ybj n TYR 85 N 0.11 0.00 -0.68 5.38 4.11 0.53 -4.25 117.16 122.36 1ybj n TYR 85 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.84 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 -1.77 3.99 -7.48 0.00 -1.25 -0.79 105.19 97.89 1ybj n GLY 86 Ca 0.00 -1.94 -0.19 0.00 0.00 0.00 0.00 46.02 43.89 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 3.15 -0.21 1.61 -0.44 -0.80 -0.97 119.66 122.00 1ybj s GLN 87 Ca 0.00 -0.98 -0.16 0.00 -2.50 0.00 0.00 55.36 51.72 1ybj s GLN 87 Cb 0.00 -2.83 0.06 0.00 -1.64 0.00 0.00 33.01 28.60 1ybj s GLN 87 CO 0.00 0.10 0.55 -1.17 0.50 0.00 0.00 175.29 175.27 1ybj s LEU 88 N -4.16 -0.30 0.08 3.68 2.96 0.53 -0.13 118.68 121.35 1ybj s LEU 88 Ca 0.44 1.15 0.00 0.00 -0.22 0.00 0.00 54.13 55.50 1ybj s LEU 88 Cb -0.09 1.87 0.00 0.00 0.50 0.00 0.00 46.19 48.46 1ybj s LEU 88 CO 0.31 -0.20 0.00 -0.67 -1.32 0.00 0.00 176.35 174.47 1ybj n ASP 89 N 3.51 0.07 -4.72 3.68 2.03 0.38 -0.87 116.55 120.63 1ybj n ASP 89 Ca -0.18 0.14 -0.27 0.00 0.52 0.00 0.00 54.79 55.00 1ybj n ASP 89 Cb 0.57 0.07 -0.07 0.00 -0.72 0.00 0.00 41.12 40.97 1ybj n ASP 89 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ybj s SER 90 N -5.11 5.11 0.22 1.67 1.04 -0.18 -1.09 113.70 115.37 1ybj s SER 90 Ca 0.00 -0.25 -0.00 0.00 0.48 0.00 0.00 55.95 56.18 1ybj s SER 90 Cb 0.00 -1.22 -0.04 0.00 0.10 0.00 0.00 66.02 64.86 1ybj s SER 90 CO 0.00 0.10 0.11 -0.76 0.98 0.00 0.00 173.24 173.68 1ybj s LEU 91 N -2.86 1.36 -0.30 2.42 2.01 0.84 -1.02 118.68 121.13 1ybj s LEU 91 Ca 0.28 -1.38 -0.06 0.00 0.01 0.00 0.00 54.13 52.99 1ybj s LEU 91 Cb -0.10 0.23 0.18 0.00 0.01 0.00 0.00 46.19 46.51 1ybj s LEU 91 CO 0.20 -0.79 0.73 -0.55 1.01 0.00 0.00 176.35 176.95 1ybj s SER 92 N -3.22 -1.11 -0.17 2.29 0.15 -0.37 -0.21 113.70 111.06 1ybj s SER 92 Ca 0.38 0.84 -0.07 0.00 0.70 0.00 0.00 55.95 57.80 1ybj s SER 92 Cb 0.07 1.99 -0.04 0.00 -1.71 0.00 0.00 66.02 66.33 1ybj s SER 92 CO 0.12 -0.21 0.06 -0.36 1.20 0.00 0.00 173.24 174.05 1ybj s PHE 93 N 2.86 3.26 -0.04 3.44 0.08 0.23 -0.29 117.98 127.52 1ybj s PHE 93 Ca 0.11 0.11 -0.31 0.00 0.12 0.00 0.00 56.93 56.96 1ybj s PHE 93 Cb -0.13 -2.03 0.13 0.00 -0.57 0.00 0.00 43.02 40.42 1ybj s PHE 93 CO -0.18 0.23 1.31 0.20 -0.10 0.00 0.00 175.22 176.67 1ybj s GLY 94 N 0.11 -0.42 -0.35 4.36 0.00 -1.11 -2.88 107.32 107.03 1ybj s GLY 94 Ca 0.05 0.81 -0.21 0.00 0.00 0.00 0.00 44.72 45.37 1ybj s GLY 94 CO 0.01 0.17 0.68 0.99 0.00 0.00 0.00 173.10 174.94 1ybj s ASP 95 N -2.91 6.47 0.00 1.64 1.01 -1.19 -1.05 116.67 120.65 1ybj s ASP 95 Ca 0.14 0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.65 1ybj s ASP 95 Cb 0.05 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.63 1ybj s ASP 95 CO -0.04 -0.61 0.00 0.61 0.21 0.00 0.00 175.17 175.33 1ybj n GLY 96 N 4.58 -2.10 3.92 0.21 0.00 0.14 -2.58 105.19 109.35 1ybj n GLY 96 Ca 0.00 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.04 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 0.25 0.99 1.43 -1.26 0.31 118.68 124.11 1ybj s LEU 97 Ca 0.00 0.77 0.03 0.00 -1.03 0.00 0.00 54.13 53.90 1ybj s LEU 97 Cb 0.00 -3.70 -0.05 0.00 0.03 0.00 0.00 46.19 42.47 1ybj s LEU 97 CO 0.00 -0.52 0.02 -0.55 0.23 0.00 0.00 176.35 175.54 1ybj s SER 98 N -4.10 1.75 -0.21 2.29 0.15 0.61 -1.62 113.70 112.56 1ybj s SER 98 Ca 0.45 -1.27 -0.11 0.00 0.70 0.00 0.00 55.95 55.73 1ybj s SER 98 Cb -0.10 0.03 -0.05 0.00 -1.71 0.00 0.00 66.02 64.19 1ybj s SER 98 CO 0.42 -0.57 0.18 -0.83 1.20 0.00 0.00 173.24 173.64 1ybj s GLY 99 N -3.32 2.04 0.00 9.45 0.00 -1.26 -2.20 107.32 112.03 1ybj s GLY 99 Ca 0.31 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.30 1ybj s GLY 99 CO 0.10 0.31 1.00 0.61 0.00 0.00 0.00 173.10 175.13 1ybj n GLY 100 N 3.83 1.86 5.44 0.20 0.00 -1.14 -4.89 105.19 110.49 1ybj n GLY 100 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.66 0.00 -0.01 1.61 2.03 -1.26 -0.13 116.55 119.44 1ybj n ASP 101 Ca 0.00 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.33 1ybj n ASP 101 Cb 0.45 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.87 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 1.11 -4.39 5.18 -2.24 -1.26 -5.00 114.28 107.68 1ybj n THR 102 Ca 0.00 -1.18 -0.26 0.00 -2.27 0.00 0.00 64.05 60.35 1ybj n THR 102 Cb 0.00 0.39 -0.09 0.00 -2.10 0.00 0.00 70.33 68.53 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 -1.29 4.09 1.02 3.42 0.01 0.81 -5.12 113.70 116.65 1ybj s SER 103 Ca 0.05 -1.14 -0.11 0.00 1.31 0.00 0.00 55.95 56.06 1ybj s SER 103 Cb 0.05 -0.46 0.21 0.00 0.21 0.00 0.00 66.02 66.03 1ybj s SER 103 CO 0.01 -0.36 1.10 -2.84 0.41 0.00 0.00 173.24 171.55 1ybj s PRO 104 N -3.74 0.15 0.90 12.44 0.02 -1.26 -2.88 135.00 140.62 1ybj s PRO 104 Ca 0.36 1.26 -0.11 0.00 0.02 0.00 0.00 61.00 62.53 1ybj s PRO 104 Cb 0.04 -1.65 0.13 0.00 0.02 0.00 0.00 34.50 33.04 1ybj s PRO 104 CO 0.19 -3.13 1.09 0.71 -0.33 0.00 0.00 177.00 175.54 1ybj s TYR 105 N -2.56 2.22 0.04 6.54 2.02 -1.26 -3.31 117.35 121.03 1ybj s TYR 105 Ca 0.68 1.35 -0.13 0.00 -0.37 0.00 0.00 57.07 58.59 1ybj s TYR 105 Cb -0.24 -3.16 0.02 0.00 -0.40 0.00 0.00 41.96 38.18 1ybj s TYR 105 CO 0.61 -2.46 0.29 -1.54 -1.57 0.00 0.00 175.55 170.88 1ybj s SER 106 N -3.28 -0.11 -0.11 2.29 1.04 -0.93 -4.87 113.70 107.72 1ybj s SER 106 Ca 0.64 -0.18 -0.26 0.00 0.48 0.00 0.00 55.95 56.63 1ybj s SER 106 Cb -0.19 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 1ybj s SER 106 CO 0.57 -0.59 0.84 -0.63 0.98 0.00 0.00 173.24 174.42 1ybj s ILE 107 N -2.39 4.91 0.02 -1.02 1.09 -1.26 -0.28 121.20 122.27 1ybj s ILE 107 Ca -0.06 1.69 -0.25 0.00 -1.10 0.00 0.00 60.65 60.93 1ybj s ILE 107 Cb -0.01 -4.16 -0.18 0.00 -1.06 0.00 0.00 42.46 37.05 1ybj s ILE 107 CO -0.02 0.11 1.42 1.56 -0.10 0.00 0.00 174.94 177.90 1ybj h GLN 108 N 7.07 -0.09 -3.42 2.79 4.20 -0.31 -3.34 115.11 122.01 1ybj h GLN 108 Ca -0.34 0.01 -0.69 0.00 0.06 0.00 0.00 58.65 57.68 1ybj h GLN 108 Cb 1.16 0.02 -0.36 0.00 0.30 0.00 0.00 27.48 28.60 1ybj h GLN 108 CO 0.80 0.21 -0.29 0.08 -0.67 0.00 0.00 178.83 178.96 1ybj s VAL 109 N -5.00 3.86 -0.43 -0.54 1.01 -1.07 -5.06 120.40 113.18 1ybj s VAL 109 Ca -0.15 -3.45 -0.28 0.00 0.00 0.00 0.00 61.98 58.11 1ybj s VAL 109 Cb 0.03 -3.47 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1ybj s VAL 109 CO 0.65 -0.97 1.82 -2.16 0.00 0.00 0.00 175.10 174.43 1ybj s PRO 110 N -0.70 3.07 0.00 2.72 0.04 -1.26 -3.13 135.00 135.74 1ybj s PRO 110 Ca 0.22 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1ybj s PRO 110 Cb -0.14 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.14 1ybj s PRO 110 CO -0.08 -2.18 0.00 -3.47 0.04 0.00 0.00 177.00 171.32 1ybj n ASP 111 N 11.21 0.00 -4.76 6.66 -0.08 -1.14 -4.52 116.55 123.91 1ybj n ASP 111 Ca 0.22 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 53.11 1ybj n ASP 111 Cb 0.49 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.96 1ybj n ASP 111 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1ybj s VAL 112 N 4.83 2.22 0.34 5.18 1.01 -1.23 -3.51 120.40 129.24 1ybj s VAL 112 Ca 0.00 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.19 1ybj s VAL 112 Cb 0.00 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 1ybj s VAL 112 CO 0.00 0.02 0.38 -0.44 0.00 0.00 0.00 175.10 175.06 1ybj s SER 113 N -0.67 1.33 0.03 3.32 0.01 -0.04 -0.60 113.70 117.08 1ybj s SER 113 Ca 0.62 -1.64 0.01 0.00 1.31 0.00 0.00 55.95 56.26 1ybj s SER 113 Cb -0.41 0.61 -0.02 0.00 0.21 0.00 0.00 66.02 66.41 1ybj s SER 113 CO 0.52 -1.19 -0.06 -0.36 0.41 0.00 0.00 173.24 172.57 1ybj s PHE 114 N -3.22 0.51 -0.28 2.43 0.40 0.70 -0.18 117.98 118.34 1ybj s PHE 114 Ca 0.36 -0.52 -0.18 0.00 -0.60 0.00 0.00 56.93 55.99 1ybj s PHE 114 Cb 0.01 -0.32 0.09 0.00 0.51 0.00 0.00 43.02 43.31 1ybj s PHE 114 CO 0.24 -0.13 0.77 0.20 0.70 0.00 0.00 175.22 177.00 1ybj s GLY 115 N -1.57 -0.47 0.00 4.36 0.00 -1.06 -0.11 107.32 108.47 1ybj s GLY 115 Ca -0.12 2.53 0.00 0.00 0.00 0.00 0.00 44.72 47.13 1ybj s GLY 115 CO -0.00 2.33 0.00 0.61 0.00 0.00 0.00 173.10 176.03 1ybj n GLY 116 N 3.86 1.26 0.25 0.20 0.00 -0.25 0.07 105.19 110.60 1ybj n GLY 116 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 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 0.53 -1.91 0.99 3.38 -1.42 -3.17 115.31 113.71 1ybj h LEU 117 Ca 0.00 0.03 -0.45 0.00 0.09 0.00 0.00 57.88 57.55 1ybj h LEU 117 Cb 0.00 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 40.69 1ybj h LEU 117 CO 0.00 0.34 -0.86 -3.20 0.09 0.00 0.00 178.44 174.82 1ybj n ASN 118 N -4.80 -1.06 -4.36 -0.43 5.15 -1.12 -4.96 115.26 103.67 1ybj n ASN 118 Ca 0.08 -0.90 -0.36 0.00 -0.60 0.00 0.00 54.58 52.80 1ybj n ASN 118 Cb 0.17 -3.65 -0.13 0.00 -0.53 0.00 0.00 39.78 35.64 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 -6.76 3.29 -0.09 1.20 1.43 -0.05 -4.99 118.68 112.70 1ybj s LEU 119 Ca 0.03 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 1ybj s LEU 119 Cb -0.01 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 1ybj s LEU 119 CO 0.84 -0.06 -0.18 -0.94 0.23 0.00 0.00 176.35 176.24 1ybj s SER 120 N 1.53 3.61 0.15 2.29 1.04 -1.26 -0.34 113.70 120.71 1ybj s SER 120 Ca 0.05 -0.39 0.04 0.00 0.48 0.00 0.00 55.95 56.13 1ybj s SER 120 Cb -0.15 -1.25 -0.04 0.00 0.10 0.00 0.00 66.02 64.68 1ybj s SER 120 CO 0.00 0.22 0.18 -0.94 0.98 0.00 0.00 173.24 173.68 1ybj s SER 121 N 0.03 5.80 0.69 7.02 1.04 -0.14 -4.97 113.70 123.16 1ybj s SER 121 Ca -0.07 -0.01 -0.10 0.00 0.48 0.00 0.00 55.95 56.25 1ybj s SER 121 Cb -0.15 -1.60 0.03 0.00 0.10 0.00 0.00 66.02 64.39 1ybj s SER 121 CO 0.05 0.08 1.05 -0.76 0.98 0.00 0.00 173.24 174.64 1ybj s LEU 122 N -3.04 2.91 0.08 2.42 1.43 -1.26 -3.92 118.68 117.29 1ybj s LEU 122 Ca 0.32 0.91 -0.33 0.00 -1.03 0.00 0.00 54.13 54.00 1ybj s LEU 122 Cb -0.11 -3.65 -0.18 0.00 0.03 0.00 0.00 46.19 42.28 1ybj s LEU 122 CO 0.25 -1.38 1.61 -0.61 0.23 0.00 0.00 176.35 176.45 1ybj h GLN 123 N -0.59 -0.89 0.00 1.70 5.75 -1.99 -3.00 115.11 116.09 1ybj h GLN 123 Ca -0.45 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.11 1ybj h GLN 123 Cb 1.27 0.20 0.00 0.00 1.07 0.00 0.00 27.48 30.02 1ybj h GLN 123 CO 0.63 -0.59 0.00 0.00 -2.65 0.00 0.00 178.83 176.22 1ybj n ALA 124 N -2.56 2.36 -1.23 3.38 0.00 -1.26 -4.19 120.51 117.01 1ybj n ALA 124 Ca -0.13 -0.08 -0.32 0.00 0.00 0.00 0.00 53.44 52.92 1ybj n ALA 124 Cb 0.39 -1.20 -0.07 0.00 0.00 0.00 0.00 19.45 18.57 1ybj n ALA 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ybj n GLN 125 N -0.74 3.24 -1.70 0.00 6.02 -1.14 -4.82 117.38 118.25 1ybj n GLN 125 Ca 0.09 -1.87 -0.38 0.00 -0.01 0.00 0.00 57.00 54.83 1ybj n GLN 125 Cb 0.04 -2.58 -0.03 0.00 1.02 0.00 0.00 30.24 28.69 1ybj n GLN 125 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1ybj s GLY 126 N 2.12 -0.07 0.00 1.08 0.00 -1.26 -1.58 107.32 107.60 1ybj s GLY 126 Ca 0.69 0.02 0.00 0.00 0.00 0.00 0.00 44.72 45.43 1ybj s GLY 126 CO -0.04 3.88 0.00 1.57 0.00 0.00 0.00 173.10 178.50 1ybj n HIS 127 N 14.21 0.00 0.09 1.90 -0.00 -1.26 -4.69 115.22 125.46 1ybj n HIS 127 Ca 0.31 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 58.00 1ybj n HIS 127 Cb 0.52 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.45 1ybj n HIS 127 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.34 176.56 1ybj h ASP 128 N 0.00 0.00 -2.29 0.26 3.58 -1.88 -3.34 116.42 112.76 1ybj h ASP 128 Ca 0.00 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.87 1ybj h ASP 128 Cb 0.00 0.00 0.05 0.00 1.72 0.00 0.00 39.33 41.10 1ybj h ASP 128 CO 0.00 0.77 0.89 0.61 -2.88 0.00 0.00 179.24 178.63 1ybj n GLY 129 N 1.31 1.26 0.34 -0.78 0.00 -0.61 -4.80 105.19 101.91 1ybj n GLY 129 Ca -0.01 0.69 0.17 0.00 0.00 0.00 0.00 46.02 46.87 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 3.99 0.42 -0.07 1.61 -1.51 -1.90 0.62 116.25 119.41 1ybj h VAL 130 Ca -0.45 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.00 1ybj h VAL 130 Cb 1.25 0.82 -0.00 0.00 -2.13 0.00 0.00 31.29 31.23 1ybj h VAL 130 CO 0.91 0.00 -0.03 0.58 -1.23 0.00 0.00 177.57 177.80 1ybj h VAL 131 N 0.00 1.32 -0.80 7.19 2.07 -1.87 -1.38 116.25 122.78 1ybj h VAL 131 Ca 0.09 -1.02 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 1ybj h VAL 131 Cb 0.52 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 1ybj h VAL 131 CO -0.00 0.28 0.43 -0.74 0.02 0.00 0.00 177.57 177.56 1ybj h HIS 132 N -0.22 1.09 0.15 1.57 6.17 -1.16 -2.34 115.15 120.41 1ybj h HIS 132 Ca 0.02 -0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.06 1ybj h HIS 132 Cb 0.47 -0.35 -0.00 0.00 2.52 0.00 0.00 27.41 30.04 1ybj h HIS 132 CO 0.07 0.76 -0.12 1.96 0.71 0.00 0.00 177.93 181.31 1ybj h GLN 133 N 1.11 -0.25 -0.99 5.26 1.08 -1.07 -2.27 115.11 117.98 1ybj h GLN 133 Ca 0.28 0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.55 1ybj h GLN 133 Cb 0.04 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.47 1ybj h GLN 133 CO -0.04 -0.17 0.65 -0.39 -0.95 0.00 0.00 178.83 177.92 1ybj h VAL 134 N -0.26 1.13 -0.12 -0.54 -1.51 -1.24 0.39 116.25 114.10 1ybj h VAL 134 Ca -0.02 -0.42 -0.04 0.00 -1.23 0.00 0.00 66.70 65.00 1ybj h VAL 134 Cb 0.22 -0.19 -0.00 0.00 -2.13 0.00 0.00 31.29 29.19 1ybj h VAL 134 CO 0.00 0.22 -0.07 1.62 -1.23 0.00 0.00 177.57 178.12 1ybj h VAL 135 N 1.22 1.32 0.00 7.19 3.04 -1.46 -0.25 116.25 127.31 1ybj h VAL 135 Ca 0.41 -1.12 -0.04 0.00 -1.01 0.00 0.00 66.70 64.95 1ybj h VAL 135 Cb 0.07 1.80 -0.01 0.00 -2.01 0.00 0.00 31.29 31.15 1ybj h VAL 135 CO -0.15 0.32 -0.19 1.88 -1.01 0.00 0.00 177.57 178.43 1ybj h TYR 136 N -0.09 0.00 0.46 3.17 -1.99 -1.22 -0.67 116.97 116.62 1ybj h TYR 136 Ca 0.03 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 1ybj h TYR 136 Cb 0.54 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.27 1ybj h TYR 136 CO 0.07 0.19 -0.22 0.78 -0.00 0.00 0.00 178.16 178.98 1ybj h GLY 137 N 2.26 -0.65 -0.17 3.88 0.00 -0.69 -2.13 103.07 105.58 1ybj h GLY 137 Ca -0.00 0.24 0.09 0.00 0.00 0.00 0.00 47.33 47.66 1ybj h GLY 137 CO 0.02 -0.23 -0.26 1.41 0.00 0.00 0.00 176.54 177.48 1ybj h LEU 138 N -0.81 -0.87 -1.45 3.11 -0.00 -0.61 0.55 115.31 115.22 1ybj h LEU 138 Ca -0.06 0.18 0.14 0.00 -0.00 0.00 0.00 57.88 58.14 1ybj h LEU 138 Cb 0.56 0.45 -0.06 0.00 -0.00 0.00 0.00 40.66 41.61 1ybj h LEU 138 CO 0.10 -0.27 0.53 0.24 -0.00 0.00 0.00 178.44 179.04 1ybj h MET 139 N -0.15 0.54 -0.01 1.13 2.86 -1.15 -0.73 114.93 117.42 1ybj h MET 139 Ca 0.21 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1ybj h MET 139 Cb 0.49 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1ybj h MET 139 CO -0.56 0.36 -0.12 0.43 1.06 0.00 0.00 176.91 178.08 1ybj n SER 140 N -4.51 1.51 0.00 1.22 7.64 -0.19 -4.89 113.62 114.41 1ybj n SER 140 Ca 0.15 -1.34 0.00 0.00 1.01 0.00 0.00 58.87 58.69 1ybj n SER 140 Cb 0.48 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 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 1.26 0.64 3.53 0.23 0.00 -0.28 -5.03 105.19 105.55 1ybj n GLY 141 Ca 0.16 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.75 4.72 -0.00 1.61 2.15 0.17 -4.79 116.67 117.79 1ybj s ASP 142 Ca 0.00 -0.08 0.08 0.00 0.43 0.00 0.00 52.55 52.98 1ybj s ASP 142 Cb 0.00 -1.53 -0.09 0.00 -0.30 0.00 0.00 42.92 41.00 1ybj s ASP 142 CO 0.00 0.26 0.32 0.35 -0.17 0.00 0.00 175.17 175.93 1ybj n THR 143 N 2.95 0.00 -0.32 1.71 -2.24 -1.26 -2.50 114.28 112.62 1ybj n THR 143 Ca -0.18 -0.29 0.12 0.00 -2.27 0.00 0.00 64.05 61.42 1ybj n THR 143 Cb 0.53 0.91 0.33 0.00 -2.10 0.00 0.00 70.33 70.00 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 1.85 1.49 1.33 3.38 0.00 -1.95 0.16 103.07 109.33 1ybj h GLY 144 Ca 0.00 -0.35 -0.19 0.00 0.00 0.00 0.00 47.33 46.79 1ybj h GLY 144 CO 0.00 0.06 -0.66 0.00 0.00 0.00 0.00 176.54 175.94 1ybj h ALA 145 N 1.60 0.50 -0.45 3.60 0.00 -1.92 -3.05 119.26 119.53 1ybj h ALA 145 Ca 0.51 -0.56 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1ybj h ALA 145 Cb 0.75 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1ybj h ALA 145 CO -0.28 0.70 -0.19 1.25 0.00 0.00 0.00 179.25 180.74 1ybj h LEU 146 N 0.49 0.90 -1.19 0.00 5.85 -1.17 -1.85 115.31 118.34 1ybj h LEU 146 Ca -0.02 -0.32 0.10 0.00 0.84 0.00 0.00 57.88 58.48 1ybj h LEU 146 Cb 1.25 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.97 1ybj h LEU 146 CO 0.13 1.07 0.58 -0.33 -0.34 0.00 0.00 178.44 179.55 1ybj h GLU 147 N 0.78 0.86 0.02 1.25 5.08 -0.79 0.35 114.58 122.14 1ybj h GLU 147 Ca 0.11 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.19 1ybj h GLU 147 Cb 0.73 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1ybj h GLU 147 CO 0.06 0.57 -0.97 0.00 -1.00 0.00 0.00 179.01 177.66 1ybj h THR 148 N 0.89 1.45 -0.41 1.13 1.03 -1.37 -1.70 112.91 113.93 1ybj h THR 148 Ca 0.42 -2.61 -0.07 0.00 -0.01 0.00 0.00 66.41 64.13 1ybj h THR 148 Cb 0.41 2.52 -0.01 0.00 -1.07 0.00 0.00 68.15 70.00 1ybj h THR 148 CO -0.18 0.77 -0.04 0.00 -0.01 0.00 0.00 175.52 176.06 1ybj h ALA 149 N 0.78 0.55 -0.53 0.00 0.00 -0.46 -2.75 119.26 116.85 1ybj h ALA 149 Ca -0.08 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.61 1ybj h ALA 149 Cb 1.62 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 1ybj h ALA 149 CO 0.16 0.37 0.23 -0.07 0.00 0.00 0.00 179.25 179.94 1ybj h LEU 150 N 0.57 0.28 -1.29 0.00 3.38 -0.31 0.02 115.31 117.96 1ybj h LEU 150 Ca 0.11 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ybj h LEU 150 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ybj h LEU 150 CO 0.03 0.19 0.24 0.78 0.09 0.00 0.00 178.44 179.78 1ybj h ASN 151 N 0.44 0.00 -0.14 -0.43 2.35 -1.01 -1.30 115.58 115.49 1ybj h ASN 151 Ca 0.25 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.88 1ybj h ASN 151 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1ybj h ASN 151 CO -0.21 0.00 -0.35 1.23 -1.65 0.00 0.00 177.43 176.44 1ybj h GLY 152 N 0.00 0.54 0.36 2.83 0.00 -0.90 -1.89 103.07 104.01 1ybj h GLY 152 Ca 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 47.33 46.54 1ybj h GLY 152 CO 0.00 0.60 -0.56 -2.22 0.00 0.00 0.00 176.54 174.36 1ybj h ILE 153 N 0.10 1.56 -0.88 2.60 5.03 -1.38 -3.36 117.51 121.19 1ybj h ILE 153 Ca -0.00 -2.43 0.10 0.00 -0.12 0.00 0.00 64.86 62.40 1ybj h ILE 153 Cb 0.96 3.19 -0.06 0.00 -3.03 0.00 0.00 36.82 37.87 1ybj h ILE 153 CO 0.08 0.65 0.57 -0.07 -0.68 0.00 0.00 178.15 178.69 1ybj h LEU 154 N -0.66 0.78 -2.33 1.44 -0.00 -1.42 -0.83 115.31 112.29 1ybj h LEU 154 Ca -0.11 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1ybj h LEU 154 Cb 1.37 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 41.89 1ybj h LEU 154 CO 0.06 0.46 -0.02 -0.78 -0.00 0.00 0.00 178.44 178.16 1ybj h ASP 155 N 0.86 0.00 0.35 -0.43 3.58 -1.37 0.49 116.42 119.90 1ybj h ASP 155 Ca 0.41 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.77 1ybj h ASP 155 Cb 0.42 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1ybj h ASP 155 CO -0.17 0.02 -0.38 -0.78 -2.88 0.00 0.00 179.24 175.05 1ybj h ASP 156 N 0.00 0.04 -0.00 2.28 3.58 -1.30 -2.80 116.42 118.22 1ybj h ASP 156 Ca -0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1ybj h ASP 156 Cb 0.21 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1ybj h ASP 156 CO 0.00 0.41 -0.81 -1.22 -2.88 0.00 0.00 179.24 174.75 1ybj n TYR 157 N -4.08 0.00 -0.21 0.28 4.01 0.26 -4.98 117.16 112.43 1ybj n TYR 157 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1ybj n TYR 157 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.45 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 1.41 0.92 0.00 2.72 0.00 0.13 -4.92 105.19 105.45 1ybj n GLY 158 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.81 0.99 7.99 0.85 -4.90 117.00 118.12 1ybj n LEU 159 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.91 1ybj n LEU 159 Cb 0.01 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.34 1ybj n LEU 159 CO 0.00 -0.25 0.53 -0.44 -1.51 0.00 0.00 177.39 175.72 1ybj s SER 160 N -0.82 0.04 0.59 -1.43 0.01 -1.26 -3.49 113.70 107.34 1ybj s SER 160 Ca 0.00 -1.18 0.29 0.00 1.31 0.00 0.00 55.95 56.36 1ybj s SER 160 Cb 0.00 0.86 1.65 0.00 0.21 0.00 0.00 66.02 68.74 1ybj s SER 160 CO 0.00 -1.70 2.09 1.62 0.41 0.00 0.00 173.24 175.66 1ybj h VAL 161 N 2.00 0.47 -0.48 3.43 3.04 -1.89 -1.65 116.25 121.16 1ybj h VAL 161 Ca -0.33 0.00 -0.28 0.00 -1.01 0.00 0.00 66.70 65.08 1ybj h VAL 161 Cb 1.25 0.83 -0.15 0.00 -2.01 0.00 0.00 31.29 31.21 1ybj h VAL 161 CO 0.42 0.00 0.36 0.59 -1.01 0.00 0.00 177.57 177.92 1ybj n ASN 162 N -3.80 4.50 -4.87 3.17 3.02 -1.26 -1.04 115.26 114.98 1ybj n ASN 162 Ca 0.02 -2.88 -0.30 0.00 -0.03 0.00 0.00 54.58 51.38 1ybj n ASN 162 Cb 0.34 -0.81 -0.05 0.00 -0.61 0.00 0.00 39.78 38.65 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 -0.01 6.07 0.15 6.41 0.15 -0.62 -4.82 113.70 121.03 1ybj s SER 163 Ca 0.29 0.16 -0.30 0.00 0.70 0.00 0.00 55.95 56.80 1ybj s SER 163 Cb 0.24 -1.79 -0.07 0.00 -1.71 0.00 0.00 66.02 62.68 1ybj s SER 163 CO 0.03 0.16 1.21 -0.89 1.20 0.00 0.00 173.24 174.95 1ybj s THR 164 N -1.50 3.66 0.22 6.45 2.01 -1.26 -1.47 115.64 123.75 1ybj s THR 164 Ca 0.33 1.33 -0.16 0.00 0.31 0.00 0.00 61.69 63.49 1ybj s THR 164 Cb -0.12 -3.85 0.24 0.00 0.01 0.00 0.00 72.50 68.77 1ybj s THR 164 CO 0.26 0.18 1.47 0.49 -0.69 0.00 0.00 174.62 176.33 1ybj n PHE 165 N 2.93 0.04 -0.14 4.92 3.72 0.29 0.25 117.46 129.47 1ybj n PHE 165 Ca 0.06 1.16 -0.06 0.00 -0.05 0.00 0.00 57.45 58.56 1ybj n PHE 165 Cb 0.45 -0.86 0.03 0.00 -0.94 0.00 0.00 39.48 38.15 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 0.36 0.05 4.37 3.58 -1.85 -0.74 116.42 122.19 1ybj h ASP 166 Ca 0.33 0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.64 1ybj h ASP 166 Cb 0.57 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 1ybj h ASP 166 CO -0.94 0.26 -0.53 1.56 -2.88 0.00 0.00 179.24 176.71 1ybj h GLN 167 N 0.47 0.53 0.26 0.28 4.20 -0.68 -0.27 115.11 119.91 1ybj h GLN 167 Ca 0.18 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 1ybj h GLN 167 Cb 0.06 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1ybj h GLN 167 CO -0.11 0.93 -0.13 0.28 -0.67 0.00 0.00 178.83 179.13 1ybj h VAL 168 N 0.41 0.77 -0.48 -0.54 2.07 0.00 0.14 116.25 118.62 1ybj h VAL 168 Ca 0.01 -0.23 0.07 0.00 0.82 0.00 0.00 66.70 67.36 1ybj h VAL 168 Cb 1.06 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 1ybj h VAL 168 CO 0.10 0.05 0.17 0.00 0.02 0.00 0.00 177.57 177.91 1ybj h ALA 169 N 0.23 0.58 -0.25 1.67 0.00 -1.00 0.34 119.26 120.83 1ybj h ALA 169 Ca -0.04 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1ybj h ALA 169 Cb 0.36 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ybj h ALA 169 CO 0.06 -0.23 -0.10 0.00 0.00 0.00 0.00 179.25 178.98 1ybj h ALA 170 N 1.33 1.37 -0.02 0.00 0.00 -0.96 0.17 119.26 121.14 1ybj h ALA 170 Ca 0.23 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1ybj h ALA 170 Cb 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ybj h ALA 170 CO -0.24 0.43 -0.77 0.00 0.00 0.00 0.00 179.25 178.67 1ybj h ALA 171 N 1.52 0.65 0.00 0.00 0.00 0.75 -2.72 119.26 119.46 1ybj h ALA 171 Ca 0.08 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1ybj h ALA 171 Cb 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ybj h ALA 171 CO 0.02 0.85 -0.33 0.25 0.00 0.00 0.00 179.25 180.04 1ybj n THR 172 N -3.74 0.27 -0.13 0.00 -2.24 0.10 -0.57 114.28 107.98 1ybj n THR 172 Ca -0.03 -0.17 -0.12 0.00 -2.27 0.00 0.00 64.05 61.46 1ybj n THR 172 Cb 0.73 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.72 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 2.71 0.58 0.00 6.98 0.00 -0.38 -3.43 119.26 125.72 1ybj h ALA 173 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1ybj h ALA 173 Cb 0.64 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ybj h ALA 173 CO 0.00 0.60 0.00 1.55 0.00 0.00 0.00 179.25 181.40 1ybj n VAL 174 N -4.16 0.00 0.00 0.00 3.14 -1.07 -5.09 118.33 111.16 1ybj n VAL 174 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1ybj n VAL 174 Cb 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.25 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 -0.45 2.37 3.18 7.55 0.00 0.27 -4.97 105.19 113.13 1ybj n GLY 175 Ca 0.00 -0.98 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 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 1.24 0.14 1.61 -7.23 -1.26 -4.90 120.40 110.01 1ybj s VAL 176 Ca 0.00 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 1ybj s VAL 176 Cb 0.00 -1.14 0.00 0.00 0.56 0.00 0.00 36.38 35.80 1ybj s VAL 176 CO 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 175.10 174.75 1ybj n GLN 177 N 1.65 -1.24 0.00 4.82 6.02 -1.26 -4.86 117.38 122.51 1ybj n GLN 177 Ca -0.19 0.82 0.00 0.00 -0.01 0.00 0.00 57.00 57.62 1ybj n GLN 177 Cb 0.54 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.29 1ybj n GLN 177 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66