#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 3.52 0.12 0.00 5.36 -1.24 -3.64 117.98 122.10 1ybj s PHE 2 Ca 0.00 0.90 -0.26 0.00 -0.96 0.00 0.00 56.93 56.62 1ybj s PHE 2 Cb 0.00 -2.26 0.07 0.00 -0.34 0.00 0.00 43.02 40.49 1ybj s PHE 2 CO 0.00 0.38 0.91 -1.12 -1.46 0.00 0.00 175.22 173.93 1ybj s SER 3 N -2.02 -0.25 -0.16 6.13 0.01 0.57 -4.31 113.70 113.67 1ybj s SER 3 Ca 0.41 -0.29 -0.19 0.00 1.31 0.00 0.00 55.95 57.19 1ybj s SER 3 Cb -0.13 0.48 -0.04 0.00 0.21 0.00 0.00 66.02 66.55 1ybj s SER 3 CO 0.20 -0.86 0.52 0.54 0.41 0.00 0.00 173.24 174.05 1ybj s VAL 4 N -3.31 5.13 -0.87 3.43 0.11 -1.26 -2.63 120.40 121.01 1ybj s VAL 4 Ca 0.10 1.00 -0.00 0.00 -2.93 0.00 0.00 61.98 60.15 1ybj s VAL 4 Cb -0.02 -3.85 0.34 0.00 -1.53 0.00 0.00 36.38 31.32 1ybj s VAL 4 CO -0.01 0.24 1.72 0.59 -3.33 0.00 0.00 175.10 174.31 1ybj n ASN 5 N 4.27 6.83 -4.77 3.54 3.02 0.50 -4.83 115.26 123.82 1ybj n ASN 5 Ca -0.05 -3.74 -0.34 0.00 -0.03 0.00 0.00 54.58 50.42 1ybj n ASN 5 Cb 0.51 -1.00 0.03 0.00 -0.61 0.00 0.00 39.78 38.70 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 -4.08 2.60 -0.67 3.10 1.13 -1.26 -0.10 117.35 118.06 1ybj s TYR 6 Ca 0.45 1.55 -0.19 0.00 -1.41 0.00 0.00 57.07 57.47 1ybj s TYR 6 Cb 0.29 -3.26 -0.16 0.00 -1.10 0.00 0.00 41.96 37.74 1ybj s TYR 6 CO -0.22 -1.71 1.88 -3.47 -2.51 0.00 0.00 175.55 169.52 1ybj n ASP 7 N -1.84 2.68 -3.26 -0.18 2.03 -1.25 -4.63 116.55 110.10 1ybj n ASP 7 Ca 0.11 -2.56 0.00 0.00 0.52 0.00 0.00 54.79 52.86 1ybj n ASP 7 Cb 0.51 -1.01 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 1ybj n ASP 7 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1ybj n SER 8 N 6.92 0.00 0.00 1.67 2.88 -1.26 -4.24 113.62 119.59 1ybj n SER 8 Ca 0.46 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1ybj n SER 8 Cb 0.34 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 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 0.80 0.00 -0.67 -3.46 2.88 -1.26 -4.95 113.62 106.96 1ybj n SER 9 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1ybj n SER 9 Cb 0.00 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 63.60 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 0.50 -1.09 0.66 3.01 -1.26 -4.77 117.46 114.30 1ybj n PHE 10 Ca 0.00 -0.22 -0.41 0.00 1.01 0.00 0.00 57.45 57.83 1ybj n PHE 10 Cb 0.00 -0.07 -0.05 0.00 -0.01 0.00 0.00 39.48 39.35 1ybj n PHE 10 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ybj n GLY 11 N 0.77 2.60 0.25 1.37 0.00 -1.26 -3.10 105.19 105.82 1ybj n GLY 11 Ca 0.10 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 4.45 0.52 3.64 -0.02 0.00 -1.26 -4.00 105.19 108.52 1ybj n GLY 12 Ca 0.49 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.16 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 3.18 -1.10 1.61 1.51 -1.18 -4.78 117.35 116.58 1ybj s TYR 13 Ca 0.00 0.08 -0.16 0.00 -1.01 0.00 0.00 57.07 55.97 1ybj s TYR 13 Cb 0.00 -1.91 -0.07 0.00 -0.11 0.00 0.00 41.96 39.87 1ybj s TYR 13 CO 0.00 0.30 2.14 0.43 -1.11 0.00 0.00 175.55 177.31 1ybj n SER 14 N 2.79 3.81 0.00 2.29 7.64 -1.26 0.95 113.62 129.84 1ybj n SER 14 Ca -0.18 -2.68 0.00 0.00 1.01 0.00 0.00 58.87 57.02 1ybj n SER 14 Cb 0.53 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 1ybj n SER 14 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1ybj n ILE 15 N 5.26 0.00 -0.15 0.44 2.08 -1.10 -1.27 119.36 124.62 1ybj n ILE 15 Ca 0.52 0.00 0.28 0.00 0.56 0.00 0.00 62.75 64.11 1ybj n ILE 15 Cb 0.35 0.00 0.72 0.00 -0.75 0.00 0.00 39.64 39.96 1ybj n ILE 15 CO 0.00 0.00 0.00 -0.74 0.56 0.00 0.00 176.55 176.37 1ybj h HIS 16 N 0.00 0.00 0.25 1.39 2.76 -1.88 -0.02 115.15 117.66 1ybj h HIS 16 Ca 0.00 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1ybj h HIS 16 Cb 0.00 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.94 1ybj h HIS 16 CO 0.00 0.00 -0.38 -0.44 -1.30 0.00 0.00 177.93 175.81 1ybj h ASP 17 N 0.00 -1.09 -0.46 3.26 5.19 -1.49 0.12 116.42 121.95 1ybj h ASP 17 Ca 0.40 0.10 -0.11 0.00 -0.62 0.00 0.00 57.03 56.80 1ybj h ASP 17 Cb 1.70 0.38 -0.02 0.00 0.18 0.00 0.00 39.33 41.57 1ybj h ASP 17 CO -0.00 -0.46 -0.11 0.22 -3.12 0.00 0.00 179.24 175.76 1ybj h TYR 18 N -0.66 1.03 -0.98 4.55 3.20 -1.48 -2.66 116.97 119.97 1ybj h TYR 18 Ca -0.03 -0.21 0.12 0.00 3.14 0.00 0.00 58.73 61.76 1ybj h TYR 18 Cb 0.61 -0.26 -0.09 0.00 1.54 0.00 0.00 36.73 38.53 1ybj h TYR 18 CO -0.29 0.98 0.60 -0.07 -1.64 0.00 0.00 178.16 177.74 1ybj h LEU 19 N 0.83 0.87 -0.31 2.82 3.38 -0.87 0.64 115.31 122.67 1ybj h LEU 19 Ca 0.13 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1ybj h LEU 19 Cb 0.65 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1ybj h LEU 19 CO 0.05 0.45 0.11 1.23 0.09 0.00 0.00 178.44 180.37 1ybj h GLY 20 N 0.94 0.50 1.17 0.83 0.00 -0.54 -2.64 103.07 103.33 1ybj h GLY 20 Ca 0.49 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1ybj h GLY 20 CO -0.28 0.27 0.45 -1.61 0.00 0.00 0.00 176.54 175.37 1ybj h GLN 21 N 0.35 1.09 -0.61 4.80 4.15 -0.58 -1.20 115.11 123.11 1ybj h GLN 21 Ca 0.10 -0.11 0.07 0.00 0.77 0.00 0.00 58.65 59.48 1ybj h GLN 21 Cb 0.21 -0.22 -0.06 0.00 0.21 0.00 0.00 27.48 27.61 1ybj h GLN 21 CO -0.01 0.78 0.29 2.35 -1.93 0.00 0.00 178.83 180.32 1ybj h TRP 22 N 1.10 0.52 0.00 3.99 7.01 0.24 -1.36 115.95 127.46 1ybj h TRP 22 Ca 0.28 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.31 1ybj h TRP 22 Cb -0.01 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 26.91 1ybj h TRP 22 CO 0.01 0.21 0.00 0.00 -2.79 0.00 0.00 178.44 175.87 1ybj n ALA 23 N -2.39 1.84 0.28 2.65 0.00 -0.54 -2.50 120.51 119.85 1ybj n ALA 23 Ca 0.08 0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.39 1ybj n ALA 23 Cb 0.21 -1.39 -0.08 0.00 0.00 0.00 0.00 19.45 18.19 1ybj n ALA 23 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ybj h SER 24 N 0.00 -0.59 0.15 0.00 0.87 -0.36 0.21 113.55 113.83 1ybj h SER 24 Ca 0.00 -0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 60.46 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 0.00 -0.30 -0.22 0.71 -0.53 0.00 0.00 176.83 176.49 1ybj h THR 25 N -0.88 1.20 0.00 2.23 1.35 -1.57 -0.70 112.91 114.53 1ybj h THR 25 Ca -0.07 -0.91 -0.04 0.00 -0.55 0.00 0.00 66.41 64.84 1ybj h THR 25 Cb 0.60 1.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.40 1ybj h THR 25 CO 0.12 0.27 -0.18 0.15 -0.25 0.00 0.00 175.52 175.63 1ybj h PHE 26 N 0.12 0.00 0.00 4.73 3.04 -1.31 -2.57 116.94 120.95 1ybj h PHE 26 Ca 0.02 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.92 1ybj h PHE 26 Cb 0.46 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 1ybj h PHE 26 CO 0.00 0.18 -0.25 0.78 -2.02 0.00 0.00 178.31 177.00 1ybj h GLY 27 N 0.71 0.00 -0.96 2.40 0.00 0.10 -3.38 103.07 101.94 1ybj h GLY 27 Ca -0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1ybj h GLY 27 CO 0.02 0.00 0.39 -0.35 0.00 0.00 0.00 176.54 176.60 1ybj s ASP 28 N -6.31 4.98 0.00 0.19 2.15 -0.97 -4.98 116.67 111.73 1ybj s ASP 28 Ca -0.01 1.12 0.00 0.00 0.43 0.00 0.00 52.55 54.09 1ybj s ASP 28 Cb 0.12 -1.84 0.00 0.00 -0.30 0.00 0.00 42.92 40.89 1ybj s ASP 28 CO 0.64 -1.64 0.69 1.33 -0.17 0.00 0.00 175.17 176.03 1ybj n VAL 29 N -3.19 0.00 0.14 1.11 0.24 -1.26 -3.34 118.33 112.03 1ybj n VAL 29 Ca 0.07 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.44 1ybj n VAL 29 Cb 0.58 0.68 0.05 0.00 -1.47 0.00 0.00 33.84 33.68 1ybj n VAL 29 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 1ybj h ASN 30 N 0.00 0.00 -3.04 -1.34 2.35 -1.93 -3.41 115.58 108.21 1ybj h ASN 30 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ybj h ASN 30 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 1ybj h ASN 30 CO 0.00 0.28 -0.01 1.57 -1.65 0.00 0.00 177.43 177.62 1ybj n HIS 31 N -3.05 -0.04 -3.73 1.19 -0.00 -1.25 -4.99 115.22 103.34 1ybj n HIS 31 Ca 0.01 0.02 -0.14 0.00 -0.00 0.00 0.00 57.72 57.61 1ybj n HIS 31 Cb 0.66 -2.29 -0.09 0.00 -0.00 0.00 0.00 29.99 28.26 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 -3.01 0.03 -0.29 3.57 -4.23 -1.26 -5.02 115.64 105.43 1ybj s THR 32 Ca 0.01 -0.23 -0.15 0.00 -1.18 0.00 0.00 61.69 60.14 1ybj s THR 32 Cb -0.00 -0.62 0.13 0.00 1.34 0.00 0.00 72.50 73.35 1ybj s THR 32 CO 0.01 -0.12 0.88 0.21 -0.54 0.00 0.00 174.62 175.06 1ybj s ASN 33 N -0.64 -0.69 0.00 3.99 3.84 -1.26 -4.97 114.94 115.21 1ybj s ASN 33 Ca -0.07 1.05 0.13 0.00 0.21 0.00 0.00 52.86 54.18 1ybj s ASN 33 Cb -0.04 1.44 0.73 0.00 -0.55 0.00 0.00 41.25 42.83 1ybj s ASN 33 CO 0.03 -0.16 1.23 0.61 -2.79 0.00 0.00 177.10 176.02 1ybj n GLY 34 N 4.25 -0.48 0.31 1.21 0.00 -1.26 -1.75 105.19 107.46 1ybj n GLY 34 Ca -0.17 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.08 2.18 -4.59 1.61 3.02 -1.26 -4.98 115.26 110.17 1ybj n ASN 35 Ca 0.09 -1.76 -0.42 0.00 -0.03 0.00 0.00 54.58 52.45 1ybj n ASN 35 Cb 0.06 -0.08 -0.05 0.00 -0.61 0.00 0.00 39.78 39.09 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 -0.84 4.74 0.00 2.41 1.01 -0.72 -4.71 120.40 122.29 1ybj s VAL 36 Ca 0.11 0.88 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1ybj s VAL 36 Cb 0.06 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1ybj s VAL 36 CO 0.08 -0.42 0.00 0.35 0.00 0.00 0.00 175.10 175.11 1ybj n THR 37 N 5.77 0.00 -0.02 3.92 -2.24 -1.26 -4.97 114.28 115.47 1ybj n THR 37 Ca 0.03 0.30 -0.01 0.00 -2.27 0.00 0.00 64.05 62.10 1ybj n THR 37 Cb 0.48 -1.30 -0.00 0.00 -2.10 0.00 0.00 70.33 67.41 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 0.00 -3.68 3.42 5.19 -1.91 -3.50 116.42 115.93 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 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1ybj h ASP 38 CO 0.00 0.22 -0.07 0.00 -3.12 0.00 0.00 179.24 176.27 1ybj n ALA 39 N -2.63 -2.37 -2.22 3.45 0.00 0.07 -5.02 120.51 111.78 1ybj n ALA 39 Ca -0.02 0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.29 1ybj n ALA 39 Cb 0.07 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.90 6.45 -0.17 0.00 0.01 -0.09 -4.86 114.94 114.38 1ybj s ASN 40 Ca 0.04 1.06 0.10 0.00 -0.71 0.00 0.00 52.86 53.35 1ybj s ASN 40 Cb -0.01 -2.30 -0.23 0.00 0.41 0.00 0.00 41.25 39.13 1ybj s ASN 40 CO 0.22 -0.44 0.16 -1.20 -1.51 0.00 0.00 177.10 174.33 1ybj n SER 41 N -1.53 0.91 0.00 -1.22 7.64 -1.26 -3.72 113.62 114.44 1ybj n SER 41 Ca 0.02 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1ybj n SER 41 Cb 0.54 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 1ybj n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ybj n GLY 42 N 1.86 0.40 1.43 0.23 0.00 -1.26 -0.12 105.19 107.72 1ybj n GLY 42 Ca -0.33 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 -0.42 2.10 -0.02 0.00 0.37 -4.91 105.19 102.32 1ybj n GLY 43 Ca 0.00 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.73 -2.90 0.00 1.61 3.72 -1.26 -4.92 117.46 112.98 1ybj n PHE 44 Ca 0.00 1.04 0.00 0.00 -0.05 0.00 0.00 57.45 58.44 1ybj n PHE 44 Cb 0.26 -1.89 0.00 0.00 -0.94 0.00 0.00 39.48 36.91 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 -2.95 -1.30 -1.13 1.38 9.36 -1.25 -4.70 117.16 116.58 1ybj n TYR 45 Ca 0.01 0.00 -0.19 0.00 3.32 0.00 0.00 57.90 61.03 1ybj n TYR 45 Cb 0.38 0.40 -0.03 0.00 -0.63 0.00 0.00 39.34 39.46 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 -0.41 3.94 0.00 2.98 0.00 -1.26 -4.85 105.19 105.59 1ybj n GLY 46 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 0.94 0.82 0.16 -0.02 0.00 -1.12 -4.47 105.19 101.50 1ybj n GLY 47 Ca 0.37 -0.95 0.04 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.98 -3.39 113.55 109.80 1ybj h SER 48 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1ybj h SER 48 Cb 0.00 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 1ybj h SER 48 CO 0.00 0.44 -0.17 0.00 -1.14 0.00 0.00 176.83 175.96 1ybj n LEU 49 N -3.36 -0.68 -3.75 5.07 -0.00 -1.26 -5.03 117.00 107.99 1ybj n LEU 49 Ca 0.01 -1.49 -0.09 0.00 -0.00 0.00 0.00 56.01 54.45 1ybj n LEU 49 Cb 0.62 0.10 -0.02 0.00 -0.00 0.00 0.00 43.42 44.12 1ybj n LEU 49 CO 0.38 1.19 0.41 -0.94 -0.00 0.00 0.00 177.39 178.43 1ybj s SER 50 N -0.63 -0.32 0.00 1.45 1.04 -1.26 -0.62 113.70 113.36 1ybj s SER 50 Ca 0.01 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1ybj s SER 50 Cb 0.06 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1ybj s SER 50 CO -0.02 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.61 1ybj n GLY 51 N -0.42 0.18 0.00 7.32 0.00 -1.07 -2.80 105.19 108.40 1ybj n GLY 51 Ca -0.08 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1ybj n GLY 51 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ybj n SER 52 N 0.00 0.36 -3.88 1.61 7.64 -1.26 -3.79 113.62 114.29 1ybj n SER 52 Ca 0.00 -1.14 -0.11 0.00 1.01 0.00 0.00 58.87 58.63 1ybj n SER 52 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 1ybj n SER 52 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1ybj s GLN 53 N -0.14 0.17 -0.33 1.43 0.74 -1.26 -0.63 119.66 119.65 1ybj s GLN 53 Ca 0.00 -0.13 0.04 0.00 0.05 0.00 0.00 55.36 55.33 1ybj s GLN 53 Cb 0.00 0.07 0.17 0.00 1.10 0.00 0.00 33.01 34.35 1ybj s GLN 53 CO 0.00 -0.03 0.49 -0.47 -0.55 0.00 0.00 175.29 174.73 1ybj s TYR 54 N -0.46 -1.24 0.27 1.67 5.04 -0.91 -3.77 117.35 117.96 1ybj s TYR 54 Ca -0.05 0.27 0.01 0.00 -2.44 0.00 0.00 57.07 54.86 1ybj s TYR 54 Cb -0.03 0.01 -0.04 0.00 0.35 0.00 0.00 41.96 42.25 1ybj s TYR 54 CO 0.00 -1.05 0.46 0.00 -1.34 0.00 0.00 175.55 173.62 1ybj s ALA 55 N 2.26 3.78 -0.13 3.97 0.00 -1.26 -1.99 121.76 128.38 1ybj s ALA 55 Ca 0.12 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 51.12 1ybj s ALA 55 Cb -0.10 -2.02 0.06 0.00 0.00 0.00 0.00 23.12 21.06 1ybj s ALA 55 CO -0.19 0.20 0.27 0.42 0.00 0.00 0.00 175.76 176.46 1ybj s ILE 56 N -2.09 -0.38 -0.15 0.00 -1.09 0.68 -0.48 121.20 117.69 1ybj s ILE 56 Ca 0.39 0.25 -0.04 0.00 -2.23 0.00 0.00 60.65 59.02 1ybj s ILE 56 Cb -0.10 -0.45 0.05 0.00 -1.58 0.00 0.00 42.46 40.38 1ybj s ILE 56 CO 0.32 0.11 0.06 -0.55 -1.23 0.00 0.00 174.94 173.65 1ybj s SER 57 N 2.26 2.22 0.05 3.58 0.15 0.83 -0.37 113.70 122.42 1ybj s SER 57 Ca -0.01 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.14 1ybj s SER 57 Cb -0.12 -0.33 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 1ybj s SER 57 CO -0.09 -0.31 0.00 -0.24 1.20 0.00 0.00 173.24 173.80 1ybj n SER 58 N 5.22 -0.62 -0.11 5.45 2.88 0.26 -4.41 113.62 122.28 1ybj n SER 58 Ca -0.07 0.11 0.01 0.00 -1.33 0.00 0.00 58.87 57.60 1ybj n SER 58 Cb 0.49 -1.78 0.02 0.00 -0.75 0.00 0.00 64.21 62.19 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 -3.07 0.52 0.15 2.46 -2.24 -1.26 -4.96 114.28 105.88 1ybj n THR 59 Ca -0.01 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1ybj n THR 59 Cb 0.07 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.32 0.00 0.00 6.98 0.00 -1.26 -5.00 120.51 120.90 1ybj n ALA 60 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1ybj n ALA 60 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1ybj n ALA 60 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ybj n ASN 61 N -3.22 0.00 -2.91 0.00 5.15 -1.22 -3.90 115.26 109.16 1ybj n ASN 61 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1ybj n ASN 61 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1ybj n ASN 61 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ybj n GLN 62 N -0.87 0.00 0.00 1.20 10.64 -1.21 -4.30 117.38 122.84 1ybj n GLN 62 Ca 0.00 -0.15 0.05 0.00 -1.83 0.00 0.00 57.00 55.06 1ybj n GLN 62 Cb 0.00 -1.39 0.23 0.00 -0.86 0.00 0.00 30.24 28.23 1ybj n GLN 62 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 1ybj n VAL 63 N 3.26 0.90 -1.52 -0.39 3.14 -1.26 0.93 118.33 123.38 1ybj n VAL 63 Ca 0.00 0.23 -0.49 0.00 -2.96 0.00 0.00 64.34 61.11 1ybj n VAL 63 Cb 0.00 -1.07 -0.06 0.00 -1.06 0.00 0.00 33.84 31.66 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 -1.33 0.28 -4.69 1.55 -1.04 -1.26 0.53 114.28 108.33 1ybj n THR 64 Ca 0.04 -0.26 -0.30 0.00 -2.04 0.00 0.00 64.05 61.48 1ybj n THR 64 Cb 0.08 -1.83 -0.07 0.00 -1.82 0.00 0.00 70.33 66.69 1ybj n THR 64 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ybj n ALA 65 N 9.50 0.46 -3.64 2.41 0.00 0.86 -3.24 120.51 126.86 1ybj n ALA 65 Ca 0.36 -2.19 -0.02 0.00 0.00 0.00 0.00 53.44 51.59 1ybj n ALA 65 Cb 0.28 1.26 -0.04 0.00 0.00 0.00 0.00 19.45 20.94 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 -2.85 -1.28 -0.32 0.00 5.36 0.50 -2.84 117.98 116.53 1ybj s PHE 66 Ca 0.05 2.27 -0.08 0.00 -0.96 0.00 0.00 56.93 58.21 1ybj s PHE 66 Cb 0.00 0.77 0.02 0.00 -0.34 0.00 0.00 43.02 43.47 1ybj s PHE 66 CO 0.03 -0.64 0.12 0.08 -1.46 0.00 0.00 175.22 173.35 1ybj s VAL 67 N 2.68 4.08 0.32 3.12 1.01 0.42 -0.23 120.40 131.79 1ybj s VAL 67 Ca -0.07 -0.81 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 1ybj s VAL 67 Cb -0.11 -3.19 -0.07 0.00 0.00 0.00 0.00 36.38 33.02 1ybj s VAL 67 CO -0.19 -0.04 0.65 0.00 0.00 0.00 0.00 175.10 175.51 1ybj s ALA 68 N 1.49 3.47 -0.17 5.51 0.00 -0.84 -1.61 121.76 129.61 1ybj s ALA 68 Ca 0.02 -0.27 -0.07 0.00 0.00 0.00 0.00 51.96 51.63 1ybj s ALA 68 Cb -0.18 -2.54 0.08 0.00 0.00 0.00 0.00 23.12 20.48 1ybj s ALA 68 CO 0.04 0.25 0.38 0.20 0.00 0.00 0.00 175.76 176.63 1ybj s GLY 69 N -2.80 -0.30 0.00 0.00 0.00 -0.17 -2.14 107.32 101.90 1ybj s GLY 69 Ca 0.49 1.39 0.00 0.00 0.00 0.00 0.00 44.72 46.60 1ybj s GLY 69 CO 0.26 2.10 0.00 0.61 0.00 0.00 0.00 173.10 176.07 1ybj n GLY 70 N 5.05 -0.72 2.39 0.20 0.00 0.20 -1.00 105.19 111.32 1ybj n GLY 70 Ca -0.13 0.64 -0.01 0.00 0.00 0.00 0.00 46.02 46.52 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 0.33 -4.77 1.61 4.05 0.09 -4.52 115.26 112.05 1ybj n ASN 71 Ca 0.00 -2.07 -0.41 0.00 0.45 0.00 0.00 54.58 52.54 1ybj n ASN 71 Cb 0.00 -0.03 -0.00 0.00 1.23 0.00 0.00 39.78 40.98 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 -0.64 4.62 -3.73 1.20 4.77 -1.14 -2.19 117.00 119.89 1ybj n LEU 72 Ca -0.04 1.22 -0.12 0.00 -0.03 0.00 0.00 56.01 57.05 1ybj n LEU 72 Cb 0.87 -1.60 -0.11 0.00 -2.33 0.00 0.00 43.42 40.24 1ybj n LEU 72 CO -0.04 0.08 -0.00 -0.89 -1.33 0.00 0.00 177.39 175.21 1ybj s THR 73 N -1.10 -0.02 -0.10 -5.08 2.01 -0.22 -2.59 115.64 108.54 1ybj s THR 73 Ca 0.54 0.06 -0.25 0.00 0.31 0.00 0.00 61.69 62.35 1ybj s THR 73 Cb -0.49 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 71.49 1ybj s THR 73 CO 0.63 0.03 0.80 -0.47 -0.69 0.00 0.00 174.62 174.92 1ybj s TYR 74 N 0.84 3.53 0.38 4.92 5.04 0.21 -0.81 117.35 131.45 1ybj s TYR 74 Ca -0.05 1.33 0.07 0.00 -2.44 0.00 0.00 57.07 55.97 1ybj s TYR 74 Cb -0.06 -2.94 0.76 0.00 0.35 0.00 0.00 41.96 40.07 1ybj s TYR 74 CO -0.06 -0.06 1.96 1.79 -1.34 0.00 0.00 175.55 177.84 1ybj h THR 75 N 4.94 1.15 0.00 4.34 1.35 -0.24 -3.46 112.91 121.00 1ybj h THR 75 Ca -0.36 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1ybj h THR 75 Cb 1.17 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1ybj h THR 75 CO 0.79 0.19 0.00 -0.11 -0.25 0.00 0.00 175.52 176.14 1ybj n LEU 76 N -4.36 0.00 -1.01 3.87 7.94 -1.26 -0.32 117.00 121.86 1ybj n LEU 76 Ca 0.01 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.03 1ybj n LEU 76 Cb 0.18 0.00 0.19 0.00 0.53 0.00 0.00 43.42 44.32 1ybj n LEU 76 CO 0.37 0.00 0.69 0.49 -1.11 0.00 0.00 177.39 177.83 1ybj n PHE 77 N 0.00 0.24 -1.60 1.96 3.01 -1.26 -2.44 117.46 117.37 1ybj n PHE 77 Ca 0.00 -0.12 -0.30 0.00 1.01 0.00 0.00 57.45 58.04 1ybj n PHE 77 Cb 0.00 0.00 0.21 0.00 -0.01 0.00 0.00 39.48 39.68 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 -1.74 2.19 0.09 4.37 0.01 0.56 -4.87 114.94 115.54 1ybj s ASN 78 Ca 0.34 0.38 -0.25 0.00 -0.71 0.00 0.00 52.86 52.62 1ybj s ASN 78 Cb 0.21 -0.48 -0.09 0.00 0.41 0.00 0.00 41.25 41.30 1ybj s ASN 78 CO 0.31 -3.32 1.40 -0.33 -1.51 0.00 0.00 177.10 173.65 1ybj h GLU 79 N -2.04 -0.36 -0.90 -0.60 4.39 -1.92 -0.96 114.58 112.19 1ybj h GLU 79 Ca -0.44 0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.39 1ybj h GLU 79 Cb 1.25 0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 29.92 1ybj h GLU 79 CO 0.35 -0.24 0.58 -1.35 -1.16 0.00 0.00 179.01 177.19 1ybj h PRO 80 N -0.38 0.82 -3.20 2.33 0.11 -1.89 -3.48 132.00 126.31 1ybj h PRO 80 Ca 0.03 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1ybj h PRO 80 Cb 0.47 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.40 1ybj h PRO 80 CO -0.37 0.54 -0.67 0.00 -0.21 0.00 0.00 178.00 177.30 1ybj n ALA 81 N -2.41 -2.33 -3.64 -0.75 0.00 -0.36 -4.76 120.51 106.25 1ybj n ALA 81 Ca 0.16 0.33 -0.24 0.00 0.00 0.00 0.00 53.44 53.70 1ybj n ALA 81 Cb 0.35 -1.17 0.04 0.00 0.00 0.00 0.00 19.45 18.67 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 1.00 -1.97 -4.07 0.00 8.25 -1.02 -4.89 115.22 112.52 1ybj n HIS 82 Ca 0.00 0.72 -0.10 0.00 -0.26 0.00 0.00 57.72 58.08 1ybj n HIS 82 Cb 0.00 -4.03 -0.07 0.00 1.12 0.00 0.00 29.99 27.00 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 -3.59 0.01 0.07 1.59 -4.23 -1.26 -4.95 115.64 103.28 1ybj s THR 83 Ca 0.21 -1.63 0.03 0.00 -1.18 0.00 0.00 61.69 59.12 1ybj s THR 83 Cb -0.06 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.50 1ybj s THR 83 CO 0.82 -0.07 0.05 -0.22 -0.54 0.00 0.00 174.62 174.66 1ybj s LEU 84 N -3.06 3.68 0.00 4.79 2.96 -1.26 0.53 118.68 126.32 1ybj s LEU 84 Ca 0.27 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 1ybj s LEU 84 Cb 0.03 -2.33 0.00 0.00 0.50 0.00 0.00 46.19 44.39 1ybj s LEU 84 CO 0.08 0.19 0.00 0.00 -1.32 0.00 0.00 176.35 175.31 1ybj n TYR 85 N 0.65 0.00 -0.19 5.38 4.11 0.01 -4.21 117.16 122.90 1ybj n TYR 85 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.80 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 -1.81 3.99 -7.48 0.00 -1.24 -1.06 105.19 97.59 1ybj n GLY 86 Ca 0.00 -2.00 -0.19 0.00 0.00 0.00 0.00 46.02 43.83 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 3.16 -0.17 1.61 -0.44 -0.93 -1.02 119.66 121.88 1ybj s GLN 87 Ca 0.00 -0.98 -0.09 0.00 -2.50 0.00 0.00 55.36 51.79 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 0.11 0.41 -1.17 0.50 0.00 0.00 175.29 175.15 1ybj s LEU 88 N -4.15 -0.10 0.25 3.68 2.96 0.18 -0.73 118.68 120.77 1ybj s LEU 88 Ca 0.43 0.90 0.00 0.00 -0.22 0.00 0.00 54.13 55.24 1ybj s LEU 88 Cb -0.09 1.35 0.00 0.00 0.50 0.00 0.00 46.19 47.95 1ybj s LEU 88 CO 0.31 -0.19 0.00 -0.67 -1.32 0.00 0.00 176.35 174.47 1ybj n ASP 89 N 4.27 0.07 -4.91 3.68 -0.08 -0.87 -1.39 116.55 117.32 1ybj n ASP 89 Ca -0.23 0.43 -0.31 0.00 -1.51 0.00 0.00 54.79 53.16 1ybj n ASP 89 Cb 0.55 0.27 -0.04 0.00 2.34 0.00 0.00 41.12 44.24 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 -5.18 6.42 0.25 1.67 1.04 -0.17 -2.68 113.70 115.06 1ybj s SER 90 Ca 0.00 0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.86 1ybj s SER 90 Cb 0.00 -2.02 -0.05 0.00 0.10 0.00 0.00 66.02 64.05 1ybj s SER 90 CO 0.00 0.12 0.09 -0.76 0.98 0.00 0.00 173.24 173.67 1ybj s LEU 91 N -2.55 1.66 -0.30 2.42 2.01 0.78 -1.00 118.68 121.70 1ybj s LEU 91 Ca 0.37 -1.37 -0.04 0.00 0.01 0.00 0.00 54.13 53.10 1ybj s LEU 91 Cb -0.13 0.02 0.19 0.00 0.01 0.00 0.00 46.19 46.28 1ybj s LEU 91 CO 0.26 -0.72 0.73 -0.55 1.01 0.00 0.00 176.35 177.08 1ybj s SER 92 N -3.30 -1.14 -0.07 2.29 0.15 -0.63 -0.18 113.70 110.81 1ybj s SER 92 Ca 0.37 0.69 -0.09 0.00 0.70 0.00 0.00 55.95 57.61 1ybj s SER 92 Cb 0.08 1.95 -0.05 0.00 -1.71 0.00 0.00 66.02 66.29 1ybj s SER 92 CO 0.13 -0.21 0.23 -0.36 1.20 0.00 0.00 173.24 174.23 1ybj s PHE 93 N 2.89 3.64 0.00 3.44 0.08 -0.02 -0.44 117.98 127.56 1ybj s PHE 93 Ca 0.15 0.67 0.00 0.00 0.12 0.00 0.00 56.93 57.87 1ybj s PHE 93 Cb -0.13 -2.05 0.00 0.00 -0.57 0.00 0.00 43.02 40.27 1ybj s PHE 93 CO -0.18 0.70 0.00 0.41 -0.10 0.00 0.00 175.22 176.05 1ybj n GLY 94 N 1.85 0.08 3.66 4.36 0.00 -1.13 -0.55 105.19 113.46 1ybj n GLY 94 Ca -0.17 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.59 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 0.00 6.24 0.00 1.61 1.01 -0.96 -0.09 116.67 124.47 1ybj s ASP 95 Ca 0.00 0.26 0.00 0.00 0.71 0.00 0.00 52.55 53.52 1ybj s ASP 95 Cb 0.00 -2.16 0.00 0.00 1.01 0.00 0.00 42.92 41.77 1ybj s ASP 95 CO 0.00 0.00 0.00 0.61 0.21 0.00 0.00 175.17 175.99 1ybj n GLY 96 N 4.18 -1.67 3.87 0.21 0.00 0.19 -2.18 105.19 109.79 1ybj n GLY 96 Ca -0.12 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.73 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 3.89 0.20 0.99 1.43 -1.24 0.49 118.68 124.44 1ybj s LEU 97 Ca 0.00 1.13 -0.00 0.00 -1.03 0.00 0.00 54.13 54.23 1ybj s LEU 97 Cb 0.00 -3.99 -0.04 0.00 0.03 0.00 0.00 46.19 42.18 1ybj s LEU 97 CO 0.00 -0.34 0.10 -0.55 0.23 0.00 0.00 176.35 175.79 1ybj s SER 98 N -2.97 0.45 1.43 2.29 0.15 0.12 -0.75 113.70 114.42 1ybj s SER 98 Ca 0.51 -1.34 0.00 0.00 0.70 0.00 0.00 55.95 55.82 1ybj s SER 98 Cb -0.10 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 1ybj s SER 98 CO 0.28 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.55 1ybj n GLY 99 N -0.27 2.66 2.26 9.45 0.00 -1.26 -2.11 105.19 115.92 1ybj n GLY 99 Ca -0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.14 0.00 -0.02 0.00 -1.17 -4.94 105.19 98.93 1ybj n GLY 100 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.59 0.00 -0.43 1.61 8.00 -1.26 -4.80 116.55 119.08 1ybj n ASP 101 Ca -0.16 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.38 1ybj n ASP 101 Cb 0.62 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.79 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 -0.12 0.48 -4.14 -3.53 -2.24 -1.26 -5.00 114.28 98.48 1ybj n THR 102 Ca 0.00 -0.74 -0.23 0.00 -2.27 0.00 0.00 64.05 60.81 1ybj n THR 102 Cb 0.00 0.85 -0.07 0.00 -2.10 0.00 0.00 70.33 69.02 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 -0.86 4.58 0.89 3.42 0.01 -1.26 -5.13 113.70 115.34 1ybj s SER 103 Ca 0.14 -0.83 -0.12 0.00 1.31 0.00 0.00 55.95 56.45 1ybj s SER 103 Cb 0.08 -0.67 0.13 0.00 0.21 0.00 0.00 66.02 65.77 1ybj s SER 103 CO 0.12 -0.31 1.11 -2.84 0.41 0.00 0.00 173.24 171.73 1ybj s PRO 104 N -3.83 1.31 0.56 12.44 0.02 -1.26 -3.03 135.00 141.21 1ybj s PRO 104 Ca 0.37 0.53 -0.18 0.00 0.02 0.00 0.00 61.00 61.74 1ybj s PRO 104 Cb -0.02 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.61 1ybj s PRO 104 CO 0.22 -2.13 1.09 0.71 -0.33 0.00 0.00 177.00 176.56 1ybj s TYR 105 N -3.13 2.80 -0.08 6.54 2.02 -1.26 -3.23 117.35 121.01 1ybj s TYR 105 Ca 0.63 1.55 -0.12 0.00 -0.37 0.00 0.00 57.07 58.75 1ybj s TYR 105 Cb -0.16 -3.16 0.03 0.00 -0.40 0.00 0.00 41.96 38.26 1ybj s TYR 105 CO 0.55 -1.32 0.31 -1.54 -1.57 0.00 0.00 175.55 171.98 1ybj s SER 106 N -2.13 -0.27 -0.03 2.29 1.04 -0.90 -4.95 113.70 108.76 1ybj s SER 106 Ca 0.69 0.42 -0.29 0.00 0.48 0.00 0.00 55.95 57.25 1ybj s SER 106 Cb -0.20 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 1ybj s SER 106 CO 0.29 -0.24 0.95 -0.63 0.98 0.00 0.00 173.24 174.59 1ybj s ILE 107 N -0.42 4.88 0.03 -1.02 1.09 -1.26 0.14 121.20 124.63 1ybj s ILE 107 Ca -0.05 1.98 -0.29 0.00 -1.10 0.00 0.00 60.65 61.18 1ybj s ILE 107 Cb -0.04 -4.28 -0.17 0.00 -1.06 0.00 0.00 42.46 36.92 1ybj s ILE 107 CO 0.02 0.15 1.27 1.56 -0.10 0.00 0.00 174.94 177.83 1ybj h GLN 108 N 6.85 -0.94 -3.55 2.79 4.20 -0.01 -3.36 115.11 121.08 1ybj h GLN 108 Ca -0.39 0.06 -0.72 0.00 0.06 0.00 0.00 58.65 57.66 1ybj h GLN 108 Cb 1.20 0.21 -0.33 0.00 0.30 0.00 0.00 27.48 28.87 1ybj h GLN 108 CO 0.77 -0.61 -0.18 0.54 -0.67 0.00 0.00 178.83 178.68 1ybj s VAL 109 N -5.08 4.32 0.02 -0.54 0.11 -0.93 -5.00 120.40 113.31 1ybj s VAL 109 Ca -0.16 -3.11 -0.30 0.00 -2.93 0.00 0.00 61.98 55.48 1ybj s VAL 109 Cb 0.02 -3.74 -0.07 0.00 -1.53 0.00 0.00 36.38 31.06 1ybj s VAL 109 CO 0.49 -0.97 1.69 -2.16 -3.33 0.00 0.00 175.10 170.82 1ybj s PRO 110 N -0.38 4.19 0.00 1.54 0.04 -1.26 -2.27 135.00 136.85 1ybj s PRO 110 Ca 0.20 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1ybj s PRO 110 Cb -0.15 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1ybj s PRO 110 CO -0.07 -0.80 0.00 -3.47 0.04 0.00 0.00 177.00 172.71 1ybj n ASP 111 N 6.36 0.00 -4.63 6.66 -0.08 0.29 -4.70 116.55 120.44 1ybj n ASP 111 Ca 0.17 0.00 -0.43 0.00 -1.51 0.00 0.00 54.79 53.02 1ybj n ASP 111 Cb 0.41 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.84 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 3.40 3.08 0.55 5.18 1.01 -1.22 -3.88 120.40 128.52 1ybj s VAL 112 Ca 0.00 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.16 1ybj s VAL 112 Cb 0.00 -3.08 0.07 0.00 0.00 0.00 0.00 36.38 33.36 1ybj s VAL 112 CO 0.00 -0.03 0.69 -0.44 0.00 0.00 0.00 175.10 175.32 1ybj s SER 113 N 6.11 5.08 0.03 3.32 0.01 0.85 -0.84 113.70 128.26 1ybj s SER 113 Ca 0.92 -0.86 0.01 0.00 1.31 0.00 0.00 55.95 57.32 1ybj s SER 113 Cb -0.37 0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 1ybj s SER 113 CO 0.37 -1.21 -0.05 -0.36 0.41 0.00 0.00 173.24 172.40 1ybj s PHE 114 N -2.64 0.40 -0.25 2.43 0.40 0.74 -0.37 117.98 118.69 1ybj s PHE 114 Ca 0.56 -0.50 -0.26 0.00 -0.60 0.00 0.00 56.93 56.13 1ybj s PHE 114 Cb -0.06 -0.26 0.09 0.00 0.51 0.00 0.00 43.02 43.31 1ybj s PHE 114 CO 0.35 -0.15 0.85 0.20 0.70 0.00 0.00 175.22 177.17 1ybj s GLY 115 N -1.45 -0.38 0.00 4.36 0.00 -1.08 -0.16 107.32 108.62 1ybj s GLY 115 Ca -0.13 2.20 0.00 0.00 0.00 0.00 0.00 44.72 46.79 1ybj s GLY 115 CO -0.00 1.65 0.00 0.61 0.00 0.00 0.00 173.10 175.36 1ybj n GLY 116 N 2.20 1.06 0.19 0.20 0.00 -1.16 -0.31 105.19 107.37 1ybj n GLY 116 Ca -0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.51 0.99 3.38 -1.77 -3.29 115.31 113.30 1ybj h LEU 117 Ca 0.00 0.05 -0.50 0.00 0.09 0.00 0.00 57.88 57.52 1ybj h LEU 117 Cb 0.00 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 1ybj h LEU 117 CO 0.00 0.14 -0.84 -3.20 0.09 0.00 0.00 178.44 174.63 1ybj n ASN 118 N -4.99 -2.01 -4.35 -0.43 5.15 -1.21 -4.92 115.26 102.50 1ybj n ASN 118 Ca 0.04 -0.94 -0.37 0.00 -0.60 0.00 0.00 54.58 52.71 1ybj n ASN 118 Cb 0.18 -3.25 -0.13 0.00 -0.53 0.00 0.00 39.78 36.05 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 3.70 -0.12 1.20 1.43 -0.48 -5.00 118.68 112.33 1ybj s LEU 119 Ca 0.32 -0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 52.77 1ybj s LEU 119 Cb -0.17 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1ybj s LEU 119 CO 0.88 -0.16 -0.08 -0.94 0.23 0.00 0.00 176.35 176.28 1ybj s SER 120 N 1.50 4.48 0.03 2.29 1.04 -1.26 -0.65 113.70 121.13 1ybj s SER 120 Ca 0.03 -0.17 -0.00 0.00 0.48 0.00 0.00 55.95 56.29 1ybj s SER 120 Cb -0.17 -1.55 -0.04 0.00 0.10 0.00 0.00 66.02 64.37 1ybj s SER 120 CO 0.02 0.22 0.15 -0.44 0.98 0.00 0.00 173.24 174.17 1ybj s SER 121 N 0.05 6.09 0.56 7.02 0.01 -0.19 -4.97 113.70 122.27 1ybj s SER 121 Ca -0.02 0.22 -0.14 0.00 1.31 0.00 0.00 55.95 57.33 1ybj s SER 121 Cb -0.14 -1.83 -0.06 0.00 0.21 0.00 0.00 66.02 64.20 1ybj s SER 121 CO 0.03 0.22 0.99 -0.76 0.41 0.00 0.00 173.24 174.13 1ybj s LEU 122 N -2.17 3.45 0.16 2.44 1.43 -1.26 -3.70 118.68 119.03 1ybj s LEU 122 Ca 0.29 1.47 -0.23 0.00 -1.03 0.00 0.00 54.13 54.63 1ybj s LEU 122 Cb -0.13 -4.46 0.06 0.00 0.03 0.00 0.00 46.19 41.70 1ybj s LEU 122 CO 0.21 -0.71 1.60 -0.61 0.23 0.00 0.00 176.35 177.07 1ybj h GLN 123 N 0.35 -0.24 0.00 1.70 5.75 -1.98 -1.88 115.11 118.80 1ybj h GLN 123 Ca -0.46 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 1ybj h GLN 123 Cb 1.19 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.79 1ybj h GLN 123 CO 0.62 -0.16 0.00 0.00 -2.65 0.00 0.00 178.83 176.64 1ybj n ALA 124 N -3.00 2.49 -1.18 3.38 0.00 -1.26 -4.18 120.51 116.76 1ybj n ALA 124 Ca 0.01 -0.12 -0.32 0.00 0.00 0.00 0.00 53.44 53.01 1ybj n ALA 124 Cb 0.34 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.85 3.20 -1.66 0.00 6.02 -0.71 -4.86 117.38 118.53 1ybj n GLN 125 Ca 0.15 -1.89 -0.39 0.00 -0.01 0.00 0.00 57.00 54.86 1ybj n GLN 125 Cb 0.07 -2.61 -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 2.28 0.02 0.00 1.08 0.00 -1.26 -1.13 107.32 108.31 1ybj s GLY 126 Ca 0.66 0.20 0.00 0.00 0.00 0.00 0.00 44.72 45.58 1ybj s GLY 126 CO -0.05 3.89 0.00 1.57 0.00 0.00 0.00 173.10 178.51 1ybj n HIS 127 N 13.83 0.00 0.06 1.90 -0.00 -1.26 -4.69 115.22 125.06 1ybj n HIS 127 Ca 0.32 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.96 1ybj n HIS 127 Cb 0.51 -0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.37 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 0.04 -2.30 0.26 3.58 -1.84 -3.34 116.42 112.82 1ybj h ASP 128 Ca 0.00 -0.04 -0.58 0.00 0.42 0.00 0.00 57.03 56.83 1ybj h ASP 128 Cb 0.00 -0.01 0.06 0.00 1.72 0.00 0.00 39.33 41.09 1ybj h ASP 128 CO 0.00 1.03 0.83 0.61 -2.88 0.00 0.00 179.24 178.83 1ybj n GLY 129 N 1.37 1.18 0.43 -0.78 0.00 -0.29 -4.73 105.19 102.38 1ybj n GLY 129 Ca -0.01 0.66 0.24 0.00 0.00 0.00 0.00 46.02 46.91 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 3.73 0.59 -0.23 1.61 -1.51 -1.90 0.20 116.25 118.74 1ybj h VAL 130 Ca -0.45 -0.08 -0.01 0.00 -1.23 0.00 0.00 66.70 64.93 1ybj h VAL 130 Cb 1.25 0.33 -0.01 0.00 -2.13 0.00 0.00 31.29 30.73 1ybj h VAL 130 CO 0.90 0.04 0.09 -0.37 -1.23 0.00 0.00 177.57 177.00 1ybj h VAL 131 N 0.24 1.17 -0.74 7.19 -1.51 -1.88 0.99 116.25 121.71 1ybj h VAL 131 Ca 0.48 -0.52 -0.05 0.00 -1.23 0.00 0.00 66.70 65.38 1ybj h VAL 131 Cb 1.49 1.09 -0.03 0.00 -2.13 0.00 0.00 31.29 31.71 1ybj h VAL 131 CO -0.13 0.17 0.27 -0.74 -1.23 0.00 0.00 177.57 175.91 1ybj h HIS 132 N 0.21 1.15 0.53 5.19 6.17 -0.94 -1.42 115.15 126.05 1ybj h HIS 132 Ca 0.08 -0.10 -0.03 0.00 0.71 0.00 0.00 60.37 61.03 1ybj h HIS 132 Cb 0.19 -0.34 0.00 0.00 2.52 0.00 0.00 27.41 29.78 1ybj h HIS 132 CO -0.01 0.89 -0.26 1.96 0.71 0.00 0.00 177.93 181.22 1ybj h GLN 133 N 1.09 -0.69 -0.55 5.26 1.08 -0.87 -2.49 115.11 117.93 1ybj h GLN 133 Ca 0.24 0.05 0.09 0.00 -1.45 0.00 0.00 58.65 57.58 1ybj h GLN 133 Cb 0.25 0.16 -0.07 0.00 -0.05 0.00 0.00 27.48 27.77 1ybj h GLN 133 CO -0.01 -0.46 0.17 0.28 -0.95 0.00 0.00 178.83 177.85 1ybj h VAL 134 N -0.72 0.76 -0.26 -0.54 2.07 -0.77 0.96 116.25 117.75 1ybj h VAL 134 Ca -0.07 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1ybj h VAL 134 Cb 0.55 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1ybj h VAL 134 CO 0.12 0.06 0.02 1.62 0.02 0.00 0.00 177.57 179.40 1ybj h VAL 135 N 0.33 1.25 0.00 2.57 3.04 -1.32 0.18 116.25 122.30 1ybj h VAL 135 Ca 0.28 -0.86 -0.10 0.00 -1.01 0.00 0.00 66.70 65.01 1ybj h VAL 135 Cb 0.35 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 30.92 1ybj h VAL 135 CO -0.31 0.27 -0.46 1.88 -1.01 0.00 0.00 177.57 177.95 1ybj h TYR 136 N 0.23 0.00 0.25 3.17 -1.99 -1.15 -0.55 116.97 116.93 1ybj h TYR 136 Ca 0.07 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.79 1ybj h TYR 136 Cb 0.39 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.12 1ybj h TYR 136 CO 0.03 0.46 -0.12 0.78 -0.00 0.00 0.00 178.16 179.31 1ybj h GLY 137 N 1.99 -0.34 -0.04 3.88 0.00 -0.52 -2.61 103.07 105.42 1ybj h GLY 137 Ca -0.00 0.13 0.11 0.00 0.00 0.00 0.00 47.33 47.56 1ybj h GLY 137 CO 0.06 -0.13 -0.10 1.41 0.00 0.00 0.00 176.54 177.78 1ybj h LEU 138 N -0.60 -0.43 -1.93 3.11 -0.00 -0.31 0.54 115.31 115.69 1ybj h LEU 138 Ca -0.03 0.15 0.07 0.00 -0.00 0.00 0.00 57.88 58.07 1ybj h LEU 138 Cb 0.43 0.31 -0.01 0.00 -0.00 0.00 0.00 40.66 41.39 1ybj h LEU 138 CO 0.06 -0.16 0.20 0.24 -0.00 0.00 0.00 178.44 178.78 1ybj h MET 139 N 0.03 0.09 -0.02 1.13 2.86 -1.12 0.64 114.93 118.55 1ybj h MET 139 Ca 0.26 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1ybj h MET 139 Cb 0.41 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1ybj h MET 139 CO -0.53 0.06 -0.04 0.45 1.06 0.00 0.00 176.91 177.91 1ybj n SER 140 N -4.47 1.62 0.00 1.22 2.88 0.09 -4.90 113.62 110.05 1ybj n SER 140 Ca 0.04 -1.48 0.00 0.00 -1.33 0.00 0.00 58.87 56.09 1ybj n SER 140 Cb 0.30 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1ybj n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ybj n GLY 141 N 1.22 0.62 3.38 0.46 0.00 0.22 -5.01 105.19 106.08 1ybj n GLY 141 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.05 6.17 0.00 1.61 2.15 0.17 -4.66 116.67 120.05 1ybj s ASP 142 Ca 0.00 -1.36 0.24 0.00 0.43 0.00 0.00 52.55 51.86 1ybj s ASP 142 Cb 0.00 -2.21 0.91 0.00 -0.30 0.00 0.00 42.92 41.31 1ybj s ASP 142 CO 0.00 -0.75 1.65 0.35 -0.17 0.00 0.00 175.17 176.25 1ybj n THR 143 N 5.29 0.11 0.17 1.71 -2.24 -1.26 -2.78 114.28 115.28 1ybj n THR 143 Ca -0.12 -0.29 0.05 0.00 -2.27 0.00 0.00 64.05 61.41 1ybj n THR 143 Cb 0.43 0.40 0.48 0.00 -2.10 0.00 0.00 70.33 69.54 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 4.95 0.16 1.73 3.38 0.00 -1.93 -1.74 103.07 109.62 1ybj h GLY 144 Ca 0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 47.33 47.08 1ybj h GLY 144 CO 0.00 0.08 -0.72 0.00 0.00 0.00 0.00 176.54 175.90 1ybj h ALA 145 N 1.78 0.69 -0.19 3.60 0.00 -1.93 -3.09 119.26 120.13 1ybj h ALA 145 Ca 0.03 -0.61 -0.10 0.00 0.00 0.00 0.00 54.91 54.23 1ybj h ALA 145 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ybj h ALA 145 CO 0.01 0.79 -0.31 1.25 0.00 0.00 0.00 179.25 181.00 1ybj h LEU 146 N 0.18 0.38 -0.70 0.00 6.46 -1.59 -2.16 115.31 117.87 1ybj h LEU 146 Ca -0.02 -0.14 0.12 0.00 -0.12 0.00 0.00 57.88 57.72 1ybj h LEU 146 Cb 1.28 -0.10 -0.08 0.00 -0.73 0.00 0.00 40.66 41.02 1ybj h LEU 146 CO 0.11 0.67 0.29 -0.33 -0.62 0.00 0.00 178.44 178.56 1ybj h GLU 147 N 0.32 0.45 -0.14 1.25 5.08 -1.37 0.29 114.58 120.46 1ybj h GLU 147 Ca 0.04 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1ybj h GLU 147 Cb 0.71 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1ybj h GLU 147 CO 0.05 0.30 -0.39 0.00 -1.00 0.00 0.00 179.01 177.98 1ybj h THR 148 N 0.47 1.30 -0.11 1.13 1.03 -1.44 0.18 112.91 115.47 1ybj h THR 148 Ca 0.37 -1.49 -0.04 0.00 -0.01 0.00 0.00 66.41 65.24 1ybj h THR 148 Cb 0.49 1.62 -0.00 0.00 -1.07 0.00 0.00 68.15 69.19 1ybj h THR 148 CO -0.34 0.45 -0.08 0.00 -0.01 0.00 0.00 175.52 175.54 1ybj h ALA 149 N 1.33 0.15 -0.59 0.00 0.00 -0.95 -3.20 119.26 116.01 1ybj h ALA 149 Ca 0.03 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.73 1ybj h ALA 149 Cb 0.81 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 1ybj h ALA 149 CO 0.06 -0.04 0.27 -0.07 0.00 0.00 0.00 179.25 179.47 1ybj h LEU 150 N -0.14 0.34 0.00 0.00 3.38 -0.04 -0.17 115.31 118.67 1ybj h LEU 150 Ca 0.02 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ybj h LEU 150 Cb 0.56 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1ybj h LEU 150 CO 0.02 0.22 0.03 0.59 0.09 0.00 0.00 178.44 179.38 1ybj n ASN 151 N -4.92 0.00 0.03 -0.43 3.02 0.59 -1.39 115.26 112.16 1ybj n ASN 151 Ca 0.07 0.39 -0.19 0.00 -0.03 0.00 0.00 54.58 54.82 1ybj n ASN 151 Cb 0.21 -0.39 -0.11 0.00 -0.61 0.00 0.00 39.78 38.88 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 0.65 0.08 7.41 0.00 -1.05 -2.98 103.07 107.19 1ybj h GLY 152 Ca 0.00 -1.16 -0.17 0.00 0.00 0.00 0.00 47.33 45.99 1ybj h GLY 152 CO 0.00 1.03 -0.93 -2.22 0.00 0.00 0.00 176.54 174.42 1ybj h ILE 153 N 0.19 1.18 -0.94 2.60 5.03 -1.35 -3.38 117.51 120.83 1ybj h ILE 153 Ca -0.11 -2.26 0.14 0.00 -0.12 0.00 0.00 64.86 62.51 1ybj h ILE 153 Cb 1.57 2.63 -0.09 0.00 -3.03 0.00 0.00 36.82 37.89 1ybj h ILE 153 CO 0.17 0.46 0.56 -0.07 -0.68 0.00 0.00 178.15 178.59 1ybj h LEU 154 N -0.89 0.76 -2.09 1.44 -0.00 -1.46 -1.36 115.31 111.70 1ybj h LEU 154 Ca -0.24 0.07 -0.01 0.00 -0.00 0.00 0.00 57.88 57.70 1ybj h LEU 154 Cb 1.29 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 41.88 1ybj h LEU 154 CO -0.11 0.35 -0.06 -0.78 -0.00 0.00 0.00 178.44 177.84 1ybj h ASP 155 N 0.81 0.00 -0.13 -0.43 3.58 -1.59 0.54 116.42 119.21 1ybj h ASP 155 Ca 0.50 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.88 1ybj h ASP 155 Cb 0.63 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.67 1ybj h ASP 155 CO -0.32 0.06 -0.12 -0.78 -2.88 0.00 0.00 179.24 175.20 1ybj h ASP 156 N 0.00 0.46 0.30 2.28 3.58 -1.42 -2.35 116.42 119.26 1ybj h ASP 156 Ca -0.00 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1ybj h ASP 156 Cb 0.13 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.06 1ybj h ASP 156 CO 0.01 0.61 -1.06 -1.22 -2.88 0.00 0.00 179.24 174.70 1ybj n TYR 157 N -4.21 0.15 -0.47 0.28 4.01 -0.07 -4.97 117.16 111.87 1ybj n TYR 157 Ca 0.00 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1ybj n TYR 157 Cb 0.31 -0.32 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 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 1.42 0.00 2.72 0.00 0.15 -5.10 105.19 105.78 1ybj n GLY 158 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.77 -4.92 117.00 118.02 1ybj n LEU 159 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 56.01 55.95 1ybj n LEU 159 Cb 0.10 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.41 1ybj n LEU 159 CO 0.00 -0.19 0.61 -0.94 -1.51 0.00 0.00 177.39 175.36 1ybj s SER 160 N -0.72 -0.17 0.38 -1.43 1.04 -1.26 -3.65 113.70 107.89 1ybj s SER 160 Ca 0.00 -0.60 0.13 0.00 0.48 0.00 0.00 55.95 55.96 1ybj s SER 160 Cb 0.00 0.62 0.95 0.00 0.10 0.00 0.00 66.02 67.69 1ybj s SER 160 CO 0.00 -1.17 1.85 1.62 0.98 0.00 0.00 173.24 176.51 1ybj h VAL 161 N 2.00 0.73 -0.45 5.02 3.04 -1.91 -1.98 116.25 122.70 1ybj h VAL 161 Ca -0.24 -0.19 -0.30 0.00 -1.01 0.00 0.00 66.70 64.96 1ybj h VAL 161 Cb 1.24 0.13 -0.13 0.00 -2.01 0.00 0.00 31.29 30.52 1ybj h VAL 161 CO 0.27 0.10 0.39 0.59 -1.01 0.00 0.00 177.57 177.91 1ybj n ASN 162 N -4.57 6.39 0.00 3.17 5.03 -1.26 -2.72 115.26 121.31 1ybj n ASN 162 Ca 0.19 -3.02 0.00 0.00 0.87 0.00 0.00 54.58 52.62 1ybj n ASN 162 Cb 0.60 -1.07 0.00 0.00 -1.02 0.00 0.00 39.78 38.30 1ybj n ASN 162 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1ybj n SER 163 N 0.45 0.00 -3.57 6.41 7.64 -0.75 -4.89 113.62 118.92 1ybj n SER 163 Ca 0.28 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 60.02 1ybj n SER 163 Cb 0.57 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.71 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 0.69 0.00 0.26 0.44 2.01 -1.26 -3.98 115.64 113.80 1ybj s THR 164 Ca 0.00 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 1ybj s THR 164 Cb 0.00 -1.00 0.24 0.00 0.01 0.00 0.00 72.50 71.75 1ybj s THR 164 CO 0.00 0.00 1.78 -0.26 -0.69 0.00 0.00 174.62 175.45 1ybj h PHE 165 N 3.42 0.81 0.13 4.92 0.04 0.29 0.35 116.94 126.90 1ybj h PHE 165 Ca -0.25 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.54 1ybj h PHE 165 Cb 1.15 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 39.07 1ybj h PHE 165 CO 0.35 0.23 -0.06 0.22 -0.60 0.00 0.00 178.31 178.45 1ybj h ASP 166 N 0.68 -0.15 -0.38 2.17 3.58 -1.85 -2.71 116.42 117.76 1ybj h ASP 166 Ca 0.45 -0.33 0.01 0.00 0.42 0.00 0.00 57.03 57.58 1ybj h ASP 166 Cb 0.59 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 1ybj h ASP 166 CO -0.33 0.28 0.25 1.56 -2.88 0.00 0.00 179.24 178.11 1ybj h GLN 167 N -0.60 0.49 0.66 0.28 4.20 -1.77 0.61 115.11 118.97 1ybj h GLN 167 Ca -0.02 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 1ybj h GLN 167 Cb 0.47 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.15 1ybj h GLN 167 CO 0.03 0.32 -0.32 0.28 -0.67 0.00 0.00 178.83 178.47 1ybj h VAL 168 N 0.50 0.34 -0.67 -0.54 2.07 -0.43 0.41 116.25 117.93 1ybj h VAL 168 Ca 0.14 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.72 1ybj h VAL 168 Cb -0.04 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 30.01 1ybj h VAL 168 CO -0.04 0.01 0.31 0.00 0.02 0.00 0.00 177.57 177.86 1ybj h ALA 169 N -0.58 0.91 -0.77 1.67 0.00 -1.34 0.11 119.26 119.25 1ybj h ALA 169 Ca -0.09 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ybj h ALA 169 Cb 0.69 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1ybj h ALA 169 CO 0.15 -0.10 0.35 0.00 0.00 0.00 0.00 179.25 179.65 1ybj h ALA 170 N 1.42 0.99 0.00 0.00 0.00 -0.74 0.91 119.26 121.85 1ybj h ALA 170 Ca 0.33 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1ybj h ALA 170 Cb 0.37 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ybj h ALA 170 CO -0.28 0.58 -0.72 0.00 0.00 0.00 0.00 179.25 178.83 1ybj h ALA 171 N 1.18 0.81 0.00 0.00 0.00 0.13 -2.11 119.26 119.26 1ybj h ALA 171 Ca 0.26 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1ybj h ALA 171 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ybj h ALA 171 CO -0.03 0.90 -0.41 0.25 0.00 0.00 0.00 179.25 179.96 1ybj n THR 172 N -3.67 0.37 -0.13 0.00 -2.24 0.27 -2.06 114.28 106.82 1ybj n THR 172 Ca -0.01 -0.24 -0.11 0.00 -2.27 0.00 0.00 64.05 61.42 1ybj n THR 172 Cb 0.70 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.67 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 2.59 0.53 0.00 6.98 0.00 -0.48 -3.40 119.26 125.48 1ybj h ALA 173 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ybj h ALA 173 Cb 0.71 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ybj h ALA 173 CO 0.00 0.40 0.00 1.55 0.00 0.00 0.00 179.25 181.20 1ybj n VAL 174 N -4.35 0.00 0.00 0.00 3.14 -1.12 -5.04 118.33 110.96 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 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.14 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 0.00 3.28 4.15 7.55 0.00 -0.83 -4.95 105.19 114.40 1ybj n GLY 175 Ca 0.00 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 1ybj n GLY 175 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ybj n VAL 176 N 0.00 -1.70 -3.96 1.61 0.24 -1.26 -3.94 118.33 109.32 1ybj n VAL 176 Ca 0.00 -0.23 -0.09 0.00 -2.04 0.00 0.00 64.34 61.97 1ybj n VAL 176 Cb 0.00 -1.90 -0.10 0.00 -1.47 0.00 0.00 33.84 30.36 1ybj n VAL 176 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ybj s GLN 177 N -6.86 0.45 0.00 7.34 -2.07 -1.26 -4.98 119.66 112.27 1ybj s GLN 177 Ca 0.41 -0.70 0.00 0.00 -1.82 0.00 0.00 55.36 53.25 1ybj s GLN 177 Cb -0.22 0.17 0.00 0.00 -1.09 0.00 0.00 33.01 31.87 1ybj s GLN 177 CO 0.93 -0.09 0.00 1.58 -1.32 0.00 0.00 175.29 176.38