#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ybj n PHE 2 N 0.00 -3.99 -3.58 0.00 7.35 -1.21 -4.63 117.46 111.40 1ybj n PHE 2 Ca 0.00 2.19 -0.05 0.00 -0.76 0.00 0.00 57.45 58.83 1ybj n PHE 2 Cb 0.00 -3.53 -0.02 0.00 0.35 0.00 0.00 39.48 36.28 1ybj n PHE 2 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 1ybj s SER 3 N -6.70 -0.17 -0.41 -2.13 1.04 0.13 -4.46 113.70 101.00 1ybj s SER 3 Ca 0.00 -0.00 -0.20 0.00 0.48 0.00 0.00 55.95 56.23 1ybj s SER 3 Cb 0.00 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.31 1ybj s SER 3 CO 0.00 -0.29 0.63 0.68 0.98 0.00 0.00 173.24 175.25 1ybj s VAL 4 N -2.52 4.86 -0.63 5.02 -7.23 -1.26 -1.93 120.40 116.71 1ybj s VAL 4 Ca 0.09 0.26 -0.03 0.00 -1.81 0.00 0.00 61.98 60.49 1ybj s VAL 4 Cb -0.01 -4.15 0.18 0.00 0.56 0.00 0.00 36.38 32.96 1ybj s VAL 4 CO -0.05 -0.49 2.45 0.59 -0.31 0.00 0.00 175.10 177.29 1ybj n ASN 5 N 6.16 6.94 -4.76 4.85 3.02 0.86 -4.68 115.26 127.65 1ybj n ASN 5 Ca -0.02 -3.47 -0.36 0.00 -0.03 0.00 0.00 54.58 50.70 1ybj n ASN 5 Cb 0.48 -1.17 0.01 0.00 -0.61 0.00 0.00 39.78 38.50 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 -2.71 2.59 -0.52 3.10 1.13 -1.25 -1.07 117.35 118.62 1ybj s TYR 6 Ca 0.56 1.52 -0.26 0.00 -1.41 0.00 0.00 57.07 57.48 1ybj s TYR 6 Cb 0.40 -3.41 -0.06 0.00 -1.10 0.00 0.00 41.96 37.80 1ybj s TYR 6 CO -0.30 -1.87 2.30 0.34 -2.51 0.00 0.00 175.55 173.50 1ybj s ASP 7 N -1.57 4.61 0.00 -0.18 2.15 -1.18 -4.74 116.67 115.75 1ybj s ASP 7 Ca 0.72 0.93 0.00 0.00 0.43 0.00 0.00 52.55 54.63 1ybj s ASP 7 Cb -0.28 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.83 1ybj s ASP 7 CO 0.32 -2.78 0.39 -1.20 -0.17 0.00 0.00 175.17 171.73 1ybj n SER 8 N 15.27 -0.79 0.00 -0.34 7.64 -1.26 -2.39 113.62 131.75 1ybj n SER 8 Ca 0.33 -0.51 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1ybj n SER 8 Cb 0.54 -0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1ybj n SER 8 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ybj n SER 9 N 2.05 0.00 -0.91 6.43 2.88 -1.26 -4.93 113.62 117.88 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 0.20 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.82 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 -0.32 0.73 -1.44 0.66 3.72 -1.01 -4.79 117.46 115.01 1ybj n PHE 10 Ca 0.00 -0.28 -0.41 0.00 -0.05 0.00 0.00 57.45 56.71 1ybj n PHE 10 Cb 0.00 -0.16 -0.04 0.00 -0.94 0.00 0.00 39.48 38.33 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 0.61 2.71 0.00 1.37 0.00 -1.26 -3.01 105.19 105.60 1ybj n GLY 11 Ca 0.12 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 4.65 0.73 3.85 -0.02 0.00 -1.26 -4.39 105.19 108.75 1ybj n GLY 12 Ca 0.49 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.14 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 3.68 0.09 1.61 1.51 -1.17 -4.83 117.35 118.24 1ybj s TYR 13 Ca 0.00 0.84 -0.31 0.00 -1.01 0.00 0.00 57.07 56.59 1ybj s TYR 13 Cb 0.00 -2.18 -0.07 0.00 -0.11 0.00 0.00 41.96 39.60 1ybj s TYR 13 CO 0.00 0.65 1.35 -1.12 -1.11 0.00 0.00 175.55 175.33 1ybj s SER 14 N -1.17 6.88 0.25 2.29 0.01 -1.26 0.10 113.70 120.80 1ybj s SER 14 Ca 0.23 2.25 -0.09 0.00 1.31 0.00 0.00 55.95 59.65 1ybj s SER 14 Cb -0.15 -2.58 0.40 0.00 0.21 0.00 0.00 66.02 63.90 1ybj s SER 14 CO 0.12 -0.62 1.61 0.40 0.41 0.00 0.00 173.24 175.16 1ybj h ILE 15 N 4.37 0.25 -0.48 1.44 1.08 -0.10 0.49 117.51 124.56 1ybj h ILE 15 Ca -0.42 -0.01 0.08 0.00 -0.39 0.00 0.00 64.86 64.12 1ybj h ILE 15 Cb 1.21 0.21 -0.03 0.00 -3.07 0.00 0.00 36.82 35.14 1ybj h ILE 15 CO 0.86 0.01 0.32 -0.74 -0.69 0.00 0.00 178.15 177.91 1ybj h HIS 16 N 0.04 0.32 0.07 1.37 2.76 -0.76 -0.65 115.15 118.29 1ybj h HIS 16 Ca 0.41 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.58 1ybj h HIS 16 Cb 0.68 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.54 1ybj h HIS 16 CO -0.53 0.16 -0.03 0.22 -1.30 0.00 0.00 177.93 176.45 1ybj h ASP 17 N 0.31 -0.08 -0.43 3.26 1.82 -0.26 -2.67 116.42 118.37 1ybj h ASP 17 Ca 0.22 -0.48 -0.12 0.00 -0.39 0.00 0.00 57.03 56.26 1ybj h ASP 17 Cb 0.45 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.47 1ybj h ASP 17 CO -0.05 0.47 -0.18 0.22 -1.61 0.00 0.00 179.24 178.09 1ybj h TYR 18 N -0.66 1.01 -0.92 0.28 5.03 -1.19 -2.56 116.97 117.96 1ybj h TYR 18 Ca -0.01 -0.24 0.10 0.00 2.58 0.00 0.00 58.73 61.15 1ybj h TYR 18 Cb 0.55 -0.24 -0.08 0.00 1.55 0.00 0.00 36.73 38.52 1ybj h TYR 18 CO 0.10 1.02 0.56 -0.07 -1.32 0.00 0.00 178.16 178.46 1ybj h LEU 19 N 0.71 0.84 -0.66 2.82 3.38 -1.19 0.36 115.31 121.57 1ybj h LEU 19 Ca 0.10 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1ybj h LEU 19 Cb 0.74 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1ybj h LEU 19 CO 0.06 0.48 0.43 1.23 0.09 0.00 0.00 178.44 180.73 1ybj h GLY 20 N 0.94 0.93 1.04 0.83 0.00 -1.29 -1.41 103.07 104.11 1ybj h GLY 20 Ca 0.44 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 1ybj h GLY 20 CO -0.23 0.32 0.35 -1.61 0.00 0.00 0.00 176.54 175.36 1ybj h GLN 21 N 0.87 1.16 -0.58 4.80 4.15 -0.45 0.30 115.11 125.35 1ybj h GLN 21 Ca 0.25 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 1ybj h GLN 21 Cb -0.08 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.39 1ybj h GLN 21 CO -0.06 0.92 0.33 2.35 -1.93 0.00 0.00 178.83 180.43 1ybj h TRP 22 N 1.13 0.79 -0.16 3.99 7.01 -0.16 -0.85 115.95 127.70 1ybj h TRP 22 Ca 0.27 -0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.16 1ybj h TRP 22 Cb 0.17 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 1ybj h TRP 22 CO 0.02 0.57 -0.31 0.00 -2.79 0.00 0.00 178.44 175.93 1ybj h ALA 23 N 1.15 1.18 0.18 2.65 0.00 -0.81 0.17 119.26 123.78 1ybj h ALA 23 Ca 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1ybj h ALA 23 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1ybj h ALA 23 CO -0.03 0.54 -0.09 1.03 0.00 0.00 0.00 179.25 180.70 1ybj h SER 24 N 0.28 -0.20 0.31 0.00 0.87 0.29 0.16 113.55 115.25 1ybj h SER 24 Ca 0.04 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.51 1ybj h SER 24 Cb 0.69 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 1ybj h SER 24 CO 0.05 -0.14 -0.39 0.71 -0.53 0.00 0.00 176.83 176.53 1ybj h THR 25 N -0.24 1.29 0.27 2.23 1.35 -1.03 -1.89 112.91 114.89 1ybj h THR 25 Ca -0.02 -1.41 -0.01 0.00 -0.55 0.00 0.00 66.41 64.41 1ybj h THR 25 Cb 0.19 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1ybj h THR 25 CO 0.04 0.41 -0.13 0.15 -0.25 0.00 0.00 175.52 175.74 1ybj h PHE 26 N 0.10 -0.33 0.00 4.73 3.04 -0.17 -2.99 116.94 121.31 1ybj h PHE 26 Ca 0.01 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.90 1ybj h PHE 26 Cb 0.74 0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.35 1ybj h PHE 26 CO 0.01 -0.17 -0.27 0.78 -2.02 0.00 0.00 178.31 176.64 1ybj h GLY 27 N -0.41 0.00 -6.88 2.40 0.00 -0.61 -3.38 103.07 94.17 1ybj h GLY 27 Ca -0.04 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.73 1ybj h GLY 27 CO 0.06 0.00 1.14 -0.35 0.00 0.00 0.00 176.54 177.39 1ybj s ASP 28 N -6.43 6.14 0.27 0.19 2.15 -0.72 -4.83 116.67 113.44 1ybj s ASP 28 Ca -0.02 0.85 0.21 0.00 0.43 0.00 0.00 52.55 54.03 1ybj s ASP 28 Cb 0.12 -2.54 1.02 0.00 -0.30 0.00 0.00 42.92 41.23 1ybj s ASP 28 CO 0.65 -1.59 1.64 1.33 -0.17 0.00 0.00 175.17 177.04 1ybj n VAL 29 N 7.15 1.01 0.90 1.11 0.24 -1.26 -1.65 118.33 125.83 1ybj n VAL 29 Ca 0.18 0.52 0.12 0.00 -2.04 0.00 0.00 64.34 63.11 1ybj n VAL 29 Cb 0.48 -1.48 0.21 0.00 -1.47 0.00 0.00 33.84 31.58 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 -2.19 0.55 -4.63 -1.34 3.02 -1.26 -4.50 115.26 104.92 1ybj n ASN 30 Ca 0.00 -0.22 -0.43 0.00 -0.03 0.00 0.00 54.58 53.91 1ybj n ASN 30 Cb 0.11 0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.56 1ybj n ASN 30 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1ybj s HIS 31 N -3.04 2.26 0.32 3.10 2.46 -0.66 -4.98 115.29 114.75 1ybj s HIS 31 Ca 0.10 0.64 0.00 0.00 0.47 0.00 0.00 55.06 56.27 1ybj s HIS 31 Cb 0.17 -3.99 0.00 0.00 -0.13 0.00 0.00 32.58 28.63 1ybj s HIS 31 CO 0.72 -2.56 0.02 0.25 -2.47 0.00 0.00 174.74 170.70 1ybj n THR 32 N 6.44 0.00 -3.65 0.89 -2.24 -1.26 -4.78 114.28 109.68 1ybj n THR 32 Ca 0.18 -1.50 -0.02 0.00 -2.27 0.00 0.00 64.05 60.43 1ybj n THR 32 Cb 0.46 0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.90 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 -2.79 -1.00 0.00 3.42 3.84 -1.26 -5.02 114.94 112.14 1ybj s ASN 33 Ca 0.02 1.48 0.15 0.00 0.21 0.00 0.00 52.86 54.71 1ybj s ASN 33 Cb -0.00 2.14 0.73 0.00 -0.55 0.00 0.00 41.25 43.57 1ybj s ASN 33 CO 0.01 -0.22 1.42 0.61 -2.79 0.00 0.00 177.10 176.13 1ybj n GLY 34 N 5.44 -0.82 0.93 1.21 0.00 -1.26 -1.86 105.19 108.84 1ybj n GLY 34 Ca -0.11 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.32 2.97 -4.54 1.61 3.02 -1.26 -4.85 115.26 110.89 1ybj n ASN 35 Ca 0.06 -1.92 -0.41 0.00 -0.03 0.00 0.00 54.58 52.28 1ybj n ASN 35 Cb 0.13 -0.07 -0.09 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.70 5.09 0.00 2.41 1.01 -0.78 -4.77 120.40 121.67 1ybj s VAL 36 Ca 0.28 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1ybj s VAL 36 Cb 0.19 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1ybj s VAL 36 CO 0.28 -0.21 0.00 0.41 0.00 0.00 0.00 175.10 175.58 1ybj n THR 37 N 5.36 0.00 0.19 3.92 -1.04 -1.26 -4.86 114.28 116.59 1ybj n THR 37 Ca -0.07 0.43 -0.09 0.00 -2.04 0.00 0.00 64.05 62.28 1ybj n THR 37 Cb 0.49 -1.39 -0.04 0.00 -1.82 0.00 0.00 70.33 67.57 1ybj n THR 37 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1ybj h ASP 38 N 0.00 -0.47 -4.53 8.00 3.58 -1.93 -3.49 116.42 117.58 1ybj h ASP 38 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1ybj h ASP 38 Cb 0.00 0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1ybj h ASP 38 CO 0.00 -0.04 -0.14 0.00 -2.88 0.00 0.00 179.24 176.18 1ybj n ALA 39 N -2.74 -2.52 -2.31 -0.78 0.00 -0.78 -5.01 120.51 106.37 1ybj n ALA 39 Ca -0.07 0.33 -0.40 0.00 0.00 0.00 0.00 53.44 53.31 1ybj n ALA 39 Cb 0.22 -1.64 -0.05 0.00 0.00 0.00 0.00 19.45 17.98 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 -2.40 7.21 0.14 0.00 0.01 0.20 -4.84 114.94 115.26 1ybj s ASN 40 Ca 0.07 1.45 -0.08 0.00 -0.71 0.00 0.00 52.86 53.59 1ybj s ASN 40 Cb -0.02 -2.46 -0.05 0.00 0.41 0.00 0.00 41.25 39.13 1ybj s ASN 40 CO 0.50 0.08 1.38 0.28 -1.51 0.00 0.00 177.10 177.82 1ybj h SER 41 N 5.32 0.77 0.00 -1.22 0.02 -1.93 -3.35 113.55 113.16 1ybj h SER 41 Ca -0.45 -0.49 0.00 0.00 -0.84 0.00 0.00 61.79 60.01 1ybj h SER 41 Cb 1.21 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1ybj h SER 41 CO 0.69 1.26 0.00 0.61 -1.14 0.00 0.00 176.83 178.25 1ybj n GLY 42 N 0.58 0.57 1.63 -3.77 0.00 -1.26 -1.27 105.19 101.67 1ybj n GLY 42 Ca -0.06 -1.62 -0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.39 6.22 -0.02 0.00 0.15 -4.90 105.19 106.24 1ybj n GLY 43 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.04 -2.06 0.00 1.61 3.72 -1.26 -4.88 117.46 113.55 1ybj n PHE 44 Ca 0.00 0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 1ybj n PHE 44 Cb 0.48 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 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 -1.96 0.00 1.92 1.38 9.36 -1.26 -4.59 117.16 122.01 1ybj n TYR 45 Ca 0.00 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.26 1ybj n TYR 45 Cb 0.08 0.00 0.20 0.00 -0.63 0.00 0.00 39.34 38.98 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 -0.00 -0.88 0.00 2.98 0.00 -1.24 -4.86 105.19 101.19 1ybj n GLY 46 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.64 -1.59 2.10 -0.02 0.00 -1.13 -4.52 105.19 100.68 1ybj n GLY 47 Ca 0.06 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1ybj n GLY 47 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ybj n SER 48 N 0.00 -1.92 0.02 1.61 7.64 -1.26 -4.95 113.62 114.76 1ybj n SER 48 Ca 0.00 0.54 -0.19 0.00 1.01 0.00 0.00 58.87 60.23 1ybj n SER 48 Cb 0.00 1.94 -0.12 0.00 -1.01 0.00 0.00 64.21 65.01 1ybj n SER 48 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1ybj h LEU 49 N 0.00 0.53 -8.58 -3.43 4.07 -1.96 -3.45 115.31 102.49 1ybj h LEU 49 Ca 0.00 -0.82 -0.24 0.00 0.08 0.00 0.00 57.88 56.90 1ybj h LEU 49 Cb 0.00 -0.17 -0.15 0.00 1.08 0.00 0.00 40.66 41.43 1ybj h LEU 49 CO 0.00 1.30 -0.60 -0.94 -1.08 0.00 0.00 178.44 177.12 1ybj s SER 50 N -6.86 0.16 0.00 -0.43 1.04 -1.26 -3.55 113.70 102.80 1ybj s SER 50 Ca -0.13 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 54.92 1ybj s SER 50 Cb 0.03 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1ybj s SER 50 CO 0.83 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.81 1ybj n GLY 51 N -0.28 0.00 5.00 7.32 0.00 -1.25 -2.84 105.19 113.14 1ybj n GLY 51 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 -4.89 1.61 7.64 -1.22 -3.65 113.62 113.12 1ybj n SER 52 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 1ybj n SER 52 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 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 0.00 3.69 -0.27 1.43 0.74 -1.26 -1.35 119.66 122.65 1ybj s GLN 53 Ca 0.00 0.06 -0.01 0.00 0.05 0.00 0.00 55.36 55.46 1ybj s GLN 53 Cb 0.00 -2.79 0.13 0.00 1.10 0.00 0.00 33.01 31.45 1ybj s GLN 53 CO 0.00 0.42 0.31 -0.47 -0.55 0.00 0.00 175.29 175.00 1ybj s TYR 54 N -1.70 -0.54 0.12 1.67 5.04 0.06 -4.12 117.35 117.88 1ybj s TYR 54 Ca 0.43 0.10 -0.10 0.00 -2.44 0.00 0.00 57.07 55.06 1ybj s TYR 54 Cb -0.12 -0.34 -0.06 0.00 0.35 0.00 0.00 41.96 41.79 1ybj s TYR 54 CO 0.23 -0.84 0.44 0.00 -1.34 0.00 0.00 175.55 174.04 1ybj s ALA 55 N 2.40 3.69 -0.12 3.97 0.00 -1.26 -1.40 121.76 129.04 1ybj s ALA 55 Ca 0.09 -0.35 -0.05 0.00 0.00 0.00 0.00 51.96 51.65 1ybj s ALA 55 Cb -0.14 -2.31 0.06 0.00 0.00 0.00 0.00 23.12 20.72 1ybj s ALA 55 CO -0.26 0.56 0.25 0.42 0.00 0.00 0.00 175.76 176.72 1ybj s ILE 56 N -1.51 -0.33 0.23 0.00 -1.09 0.98 0.29 121.20 119.77 1ybj s ILE 56 Ca 0.37 0.26 0.07 0.00 -2.23 0.00 0.00 60.65 59.12 1ybj s ILE 56 Cb -0.13 -0.42 -0.04 0.00 -1.58 0.00 0.00 42.46 40.29 1ybj s ILE 56 CO 0.20 0.11 0.17 -0.94 -1.23 0.00 0.00 174.94 173.25 1ybj s SER 57 N 2.17 5.46 0.29 3.58 1.04 -0.40 0.48 113.70 126.33 1ybj s SER 57 Ca -0.01 -0.25 -0.28 0.00 0.48 0.00 0.00 55.95 55.89 1ybj s SER 57 Cb -0.12 -1.38 -0.14 0.00 0.10 0.00 0.00 66.02 64.49 1ybj s SER 57 CO -0.08 -0.01 1.10 -0.24 0.98 0.00 0.00 173.24 174.99 1ybj n SER 58 N -0.96 1.72 0.15 7.02 2.88 0.36 -4.89 113.62 119.89 1ybj n SER 58 Ca -0.08 1.18 0.12 0.00 -1.33 0.00 0.00 58.87 58.76 1ybj n SER 58 Cb 0.57 -1.34 0.10 0.00 -0.75 0.00 0.00 64.21 62.79 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 2.21 0.00 0.00 2.46 1.35 -1.87 -2.44 112.91 114.62 1ybj h THR 59 Ca -0.41 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 1ybj h THR 59 Cb 1.32 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 1ybj h THR 59 CO 0.62 0.00 -0.05 0.00 -0.25 0.00 0.00 175.52 175.84 1ybj h ALA 60 N 2.06 0.00 -0.05 6.62 0.00 -1.89 -3.40 119.26 122.59 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 0.97 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ybj h ALA 60 CO 0.00 0.05 0.00 0.27 0.00 0.00 0.00 179.25 179.57 1ybj n ASN 61 N -4.62 1.96 -4.02 0.00 0.23 -1.26 -4.67 115.26 102.88 1ybj n ASN 61 Ca -0.01 -1.49 -0.32 0.00 -0.53 0.00 0.00 54.58 52.23 1ybj n ASN 61 Cb 0.03 -0.03 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 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 0.54 -1.33 0.01 -3.83 1.13 -0.92 -4.74 117.38 108.24 1ybj n GLN 62 Ca 0.06 0.11 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 1ybj n GLN 62 Cb 0.27 -4.67 0.00 0.00 0.11 0.00 0.00 30.24 25.95 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 -3.66 0.11 -1.70 5.09 3.14 -1.26 -4.74 118.33 115.30 1ybj n VAL 63 Ca 0.09 0.04 -0.39 0.00 -2.96 0.00 0.00 64.34 61.12 1ybj n VAL 63 Cb 0.46 -1.18 -0.03 0.00 -1.06 0.00 0.00 33.84 32.04 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 -2.00 3.12 0.55 1.55 2.01 -1.26 0.01 115.64 119.62 1ybj s THR 64 Ca 0.00 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.13 1ybj s THR 64 Cb 0.00 -3.24 0.03 0.00 0.01 0.00 0.00 72.50 69.30 1ybj s THR 64 CO 0.00 -0.21 0.31 0.00 -0.69 0.00 0.00 174.62 174.03 1ybj s ALA 65 N 10.17 4.44 -0.24 7.40 0.00 0.69 -0.48 121.76 143.72 1ybj s ALA 65 Ca 0.91 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 51.83 1ybj s ALA 65 Cb -0.21 -0.54 0.07 0.00 0.00 0.00 0.00 23.12 22.45 1ybj s ALA 65 CO 0.28 -0.35 0.59 0.12 0.00 0.00 0.00 175.76 176.40 1ybj s PHE 66 N -2.83 -0.86 -0.22 0.00 5.36 0.18 -2.46 117.98 117.15 1ybj s PHE 66 Ca 0.25 1.80 0.02 0.00 -0.96 0.00 0.00 56.93 58.04 1ybj s PHE 66 Cb -0.02 0.46 0.04 0.00 -0.34 0.00 0.00 43.02 43.16 1ybj s PHE 66 CO 0.15 -0.44 -0.15 0.08 -1.46 0.00 0.00 175.22 173.41 1ybj s VAL 67 N 1.33 2.05 0.14 3.12 1.01 0.97 -0.01 120.40 129.01 1ybj s VAL 67 Ca -0.08 -1.25 -0.08 0.00 0.00 0.00 0.00 61.98 60.57 1ybj s VAL 67 Cb -0.06 -2.02 -0.06 0.00 0.00 0.00 0.00 36.38 34.24 1ybj s VAL 67 CO -0.14 0.24 0.44 0.00 0.00 0.00 0.00 175.10 175.64 1ybj s ALA 68 N 1.22 3.70 -0.29 5.51 0.00 -0.49 -0.60 121.76 130.81 1ybj s ALA 68 Ca -0.02 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.56 1ybj s ALA 68 Cb -0.16 -2.28 0.18 0.00 0.00 0.00 0.00 23.12 20.86 1ybj s ALA 68 CO -0.09 0.58 0.54 0.20 0.00 0.00 0.00 175.76 176.99 1ybj s GLY 69 N -2.14 -0.95 0.00 0.00 0.00 -0.87 -0.76 107.32 102.59 1ybj s GLY 69 Ca 0.40 1.18 0.00 0.00 0.00 0.00 0.00 44.72 46.30 1ybj s GLY 69 CO 0.21 3.35 0.00 0.61 0.00 0.00 0.00 173.10 177.27 1ybj n GLY 70 N 5.41 -1.13 1.32 0.20 0.00 -0.45 -3.90 105.19 106.63 1ybj n GLY 70 Ca 0.01 0.57 -0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 0.21 -4.75 1.61 4.05 0.13 -4.63 115.26 111.88 1ybj n ASN 71 Ca 0.00 -2.00 -0.40 0.00 0.45 0.00 0.00 54.58 52.63 1ybj n ASN 71 Cb 0.00 -0.06 0.02 0.00 1.23 0.00 0.00 39.78 40.97 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 0.28 5.04 -3.71 1.20 4.77 -0.50 -2.22 117.00 121.85 1ybj n LEU 72 Ca -0.07 1.08 -0.12 0.00 -0.03 0.00 0.00 56.01 56.87 1ybj n LEU 72 Cb 0.97 -1.58 -0.12 0.00 -2.33 0.00 0.00 43.42 40.36 1ybj n LEU 72 CO -0.08 -0.37 -0.05 -0.89 -1.33 0.00 0.00 177.39 174.67 1ybj s THR 73 N -1.22 -0.03 -0.19 -5.08 2.01 0.27 -3.37 115.64 108.02 1ybj s THR 73 Ca 0.64 0.13 -0.24 0.00 0.31 0.00 0.00 61.69 62.53 1ybj s THR 73 Cb -0.45 -0.48 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 1ybj s THR 73 CO 0.55 0.05 0.77 -0.47 -0.69 0.00 0.00 174.62 174.83 1ybj s TYR 74 N 1.32 3.38 0.18 4.92 5.04 -1.23 -1.31 117.35 129.65 1ybj s TYR 74 Ca -0.09 1.12 -0.11 0.00 -2.44 0.00 0.00 57.07 55.55 1ybj s TYR 74 Cb -0.10 -2.95 0.07 0.00 0.35 0.00 0.00 41.96 39.33 1ybj s TYR 74 CO -0.10 -0.25 1.68 1.79 -1.34 0.00 0.00 175.55 177.32 1ybj h THR 75 N 5.24 1.26 0.00 4.34 1.35 -0.71 -3.45 112.91 120.94 1ybj h THR 75 Ca -0.29 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 1ybj h THR 75 Cb 1.13 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1ybj h THR 75 CO 0.82 0.36 0.00 -0.11 -0.25 0.00 0.00 175.52 176.34 1ybj n LEU 76 N -4.32 0.00 -0.50 3.87 7.94 -1.26 -0.67 117.00 122.06 1ybj n LEU 76 Ca 0.03 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.06 1ybj n LEU 76 Cb 0.26 0.00 0.23 0.00 0.53 0.00 0.00 43.42 44.44 1ybj n LEU 76 CO 0.42 0.00 0.58 0.49 -1.11 0.00 0.00 177.39 177.77 1ybj n PHE 77 N 0.00 0.00 -1.51 1.96 3.72 -1.26 -1.97 117.46 118.40 1ybj n PHE 77 Ca 0.00 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.12 1ybj n PHE 77 Cb 0.00 -0.04 0.22 0.00 -0.94 0.00 0.00 39.48 38.72 1ybj n PHE 77 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1ybj n ASN 78 N 0.08 -0.85 -0.03 4.37 3.02 0.16 -4.85 115.26 117.16 1ybj n ASN 78 Ca 0.13 -1.32 -0.03 0.00 -0.03 0.00 0.00 54.58 53.33 1ybj n ASN 78 Cb 0.43 -0.97 -0.02 0.00 -0.61 0.00 0.00 39.78 38.61 1ybj n ASN 78 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1ybj h GLU 79 N 0.00 -0.09 -0.77 3.52 4.39 -1.92 -0.34 114.58 119.37 1ybj h GLU 79 Ca -0.41 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.38 1ybj h GLU 79 Cb 1.17 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.79 1ybj h GLU 79 CO 0.28 -0.06 0.51 -1.35 -1.16 0.00 0.00 179.01 177.23 1ybj h PRO 80 N -0.09 0.74 -2.79 2.33 0.11 -1.92 -3.49 132.00 126.90 1ybj h PRO 80 Ca 0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1ybj h PRO 80 Cb 0.13 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1ybj h PRO 80 CO -0.13 0.49 -0.57 0.00 -0.21 0.00 0.00 178.00 177.58 1ybj n ALA 81 N -2.44 -2.43 -3.22 -0.75 0.00 -0.14 -4.84 120.51 106.68 1ybj n ALA 81 Ca 0.12 0.28 -0.15 0.00 0.00 0.00 0.00 53.44 53.70 1ybj n ALA 81 Cb 0.27 -1.07 0.07 0.00 0.00 0.00 0.00 19.45 18.72 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 0.77 -2.43 -4.07 0.00 8.25 -0.83 -4.87 115.22 112.03 1ybj n HIS 82 Ca 0.00 0.84 -0.10 0.00 -0.26 0.00 0.00 57.72 58.21 1ybj n HIS 82 Cb 0.00 -4.10 -0.08 0.00 1.12 0.00 0.00 29.99 26.92 1ybj n HIS 82 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1ybj s THR 83 N -3.38 0.06 0.04 1.59 2.01 -1.26 -4.91 115.64 109.79 1ybj s THR 83 Ca 0.45 -1.68 0.09 0.00 0.31 0.00 0.00 61.69 60.86 1ybj s THR 83 Cb -0.06 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 1ybj s THR 83 CO 0.73 -0.29 -0.25 -0.22 -0.69 0.00 0.00 174.62 173.89 1ybj s LEU 84 N -3.03 2.25 0.00 4.42 2.96 -1.26 0.10 118.68 124.11 1ybj s LEU 84 Ca 0.23 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 1ybj s LEU 84 Cb 0.05 -1.33 0.00 0.00 0.50 0.00 0.00 46.19 45.41 1ybj s LEU 84 CO 0.03 0.26 0.00 0.00 -1.32 0.00 0.00 176.35 175.32 1ybj n TYR 85 N 1.78 0.00 -0.99 5.38 4.11 -0.42 -4.45 117.16 122.57 1ybj n TYR 85 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.73 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 -1.80 3.96 -7.48 0.00 -1.15 -0.57 105.19 98.16 1ybj n GLY 86 Ca 0.00 -1.86 -0.20 0.00 0.00 0.00 0.00 46.02 43.96 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 2.55 0.00 1.61 0.74 -0.94 -1.95 119.66 121.66 1ybj s GLN 87 Ca 0.00 -1.52 0.00 0.00 0.05 0.00 0.00 55.36 53.89 1ybj s GLN 87 Cb 0.00 -2.53 0.00 0.00 1.10 0.00 0.00 33.01 31.58 1ybj s GLN 87 CO 0.00 -0.42 0.00 1.47 -0.55 0.00 0.00 175.29 175.79 1ybj n LEU 88 N -1.83 0.05 0.00 3.68 -0.00 -1.07 -0.70 117.00 117.13 1ybj n LEU 88 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1ybj n LEU 88 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 1ybj n LEU 88 CO 0.40 -0.06 0.00 -0.67 -0.00 0.00 0.00 177.39 177.06 1ybj n ASP 89 N -1.66 0.00 -3.91 1.45 2.03 -1.26 -3.09 116.55 110.12 1ybj n ASP 89 Ca 0.00 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.14 1ybj n ASP 89 Cb 0.01 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.26 1ybj n ASP 89 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1ybj s SER 90 N 0.00 0.60 0.36 1.67 0.01 -1.25 -0.47 113.70 114.61 1ybj s SER 90 Ca 0.00 -0.08 0.07 0.00 1.31 0.00 0.00 55.95 57.25 1ybj s SER 90 Cb 0.00 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 1ybj s SER 90 CO 0.00 -0.00 0.42 -0.76 0.41 0.00 0.00 173.24 173.31 1ybj s LEU 91 N 0.39 3.75 -0.24 2.44 2.01 -0.20 -2.05 118.68 124.78 1ybj s LEU 91 Ca -0.04 -0.38 -0.03 0.00 0.01 0.00 0.00 54.13 53.69 1ybj s LEU 91 Cb -0.08 -2.50 0.13 0.00 0.01 0.00 0.00 46.19 43.75 1ybj s LEU 91 CO -0.00 -0.48 0.39 -0.44 1.01 0.00 0.00 176.35 176.82 1ybj s SER 92 N -4.14 0.11 -0.05 2.29 0.01 0.23 -0.25 113.70 111.90 1ybj s SER 92 Ca 0.46 0.36 -0.09 0.00 1.31 0.00 0.00 55.95 57.99 1ybj s SER 92 Cb -0.08 1.18 -0.05 0.00 0.21 0.00 0.00 66.02 67.29 1ybj s SER 92 CO 0.30 -0.29 0.25 -0.36 0.41 0.00 0.00 173.24 173.54 1ybj s PHE 93 N 2.56 3.62 0.00 2.43 0.08 0.62 -0.02 117.98 127.27 1ybj s PHE 93 Ca 0.11 0.65 0.00 0.00 0.12 0.00 0.00 56.93 57.81 1ybj s PHE 93 Cb -0.15 -2.04 0.00 0.00 -0.57 0.00 0.00 43.02 40.26 1ybj s PHE 93 CO -0.15 0.68 0.00 0.41 -0.10 0.00 0.00 175.22 176.05 1ybj n GLY 94 N 1.65 0.65 3.64 4.36 0.00 -1.03 -2.19 105.19 112.27 1ybj n GLY 94 Ca -0.16 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.70 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 6.74 0.00 1.61 1.01 -1.18 -0.23 116.67 124.63 1ybj s ASP 95 Ca 0.00 0.91 0.00 0.00 0.71 0.00 0.00 52.55 54.17 1ybj s ASP 95 Cb 0.00 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.54 1ybj s ASP 95 CO 0.00 -0.42 0.00 0.61 0.21 0.00 0.00 175.17 175.57 1ybj n GLY 96 N 3.87 -2.65 3.88 0.21 0.00 0.10 -2.64 105.19 107.97 1ybj n GLY 96 Ca 0.02 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 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 3.97 0.26 0.99 1.43 -1.26 0.09 118.68 124.16 1ybj s LEU 97 Ca 0.00 0.96 0.03 0.00 -1.03 0.00 0.00 54.13 54.08 1ybj s LEU 97 Cb 0.00 -3.79 -0.05 0.00 0.03 0.00 0.00 46.19 42.37 1ybj s LEU 97 CO 0.00 -0.27 0.04 -0.94 0.23 0.00 0.00 176.35 175.41 1ybj s SER 98 N -3.01 1.72 0.32 2.29 1.04 0.11 -0.63 113.70 115.54 1ybj s SER 98 Ca 0.48 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1ybj s SER 98 Cb -0.11 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1ybj s SER 98 CO 0.29 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.51 1ybj n GLY 99 N -0.48 0.76 2.30 7.32 0.00 -1.26 -2.01 105.19 111.82 1ybj n GLY 99 Ca -0.03 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 0.49 0.00 -0.02 0.00 -0.88 -4.92 105.19 99.87 1ybj n GLY 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.12 0.00 0.00 1.61 8.00 -1.26 -4.84 116.55 119.93 1ybj n ASP 101 Ca 0.00 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1ybj n ASP 101 Cb 0.06 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 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 -1.87 0.00 -4.24 -3.53 -2.24 -1.26 -5.03 114.28 96.11 1ybj n THR 102 Ca 0.00 -0.33 -0.16 0.00 -2.27 0.00 0.00 64.05 61.29 1ybj n THR 102 Cb 0.00 1.32 -0.11 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.03 1.85 1.21 3.42 0.01 -1.26 -5.16 113.70 113.75 1ybj s SER 103 Ca 0.00 -0.89 -0.18 0.00 1.31 0.00 0.00 55.95 56.19 1ybj s SER 103 Cb 0.00 -0.04 0.29 0.00 0.21 0.00 0.00 66.02 66.48 1ybj s SER 103 CO 0.00 -0.23 1.06 -2.84 0.41 0.00 0.00 173.24 171.64 1ybj s PRO 104 N -3.13 -1.28 0.55 12.44 0.02 -1.26 -2.06 135.00 140.28 1ybj s PRO 104 Ca 0.12 0.17 -0.19 0.00 0.02 0.00 0.00 61.00 61.12 1ybj s PRO 104 Cb -0.02 -1.57 -0.06 0.00 0.02 0.00 0.00 34.50 32.88 1ybj s PRO 104 CO 0.02 -3.80 1.09 0.71 -0.33 0.00 0.00 177.00 174.69 1ybj s TYR 105 N -2.79 2.80 0.02 6.54 2.02 -1.26 -4.09 117.35 120.60 1ybj s TYR 105 Ca 0.69 1.55 -0.10 0.00 -0.37 0.00 0.00 57.07 58.84 1ybj s TYR 105 Cb -0.14 -3.17 0.01 0.00 -0.40 0.00 0.00 41.96 38.26 1ybj s TYR 105 CO 0.58 -1.31 0.20 -1.54 -1.57 0.00 0.00 175.55 171.91 1ybj s SER 106 N -2.09 -0.01 -0.20 2.29 1.04 -0.85 -4.96 113.70 108.93 1ybj s SER 106 Ca 0.69 -0.25 -0.26 0.00 0.48 0.00 0.00 55.95 56.62 1ybj s SER 106 Cb -0.20 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 1ybj s SER 106 CO 0.28 -0.48 0.88 -0.63 0.98 0.00 0.00 173.24 174.27 1ybj s ILE 107 N -2.01 4.83 0.06 -1.02 1.09 -1.26 0.05 121.20 122.93 1ybj s ILE 107 Ca -0.09 1.71 -0.22 0.00 -1.10 0.00 0.00 60.65 60.94 1ybj s ILE 107 Cb -0.04 -4.17 -0.13 0.00 -1.06 0.00 0.00 42.46 37.06 1ybj s ILE 107 CO -0.01 -0.04 1.53 1.56 -0.10 0.00 0.00 174.94 177.88 1ybj h GLN 108 N 7.44 0.18 -3.48 2.79 4.20 -0.49 -3.33 115.11 122.41 1ybj h GLN 108 Ca -0.26 -0.05 -0.69 0.00 0.06 0.00 0.00 58.65 57.71 1ybj h GLN 108 Cb 1.11 -0.02 -0.36 0.00 0.30 0.00 0.00 27.48 28.51 1ybj h GLN 108 CO 0.87 0.37 -0.31 0.08 -0.67 0.00 0.00 178.83 179.16 1ybj s VAL 109 N -5.22 3.81 -0.32 -0.54 1.01 -1.08 -5.04 120.40 113.02 1ybj s VAL 109 Ca -0.14 -3.25 -0.28 0.00 0.00 0.00 0.00 61.98 58.31 1ybj s VAL 109 Cb 0.05 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 1ybj s VAL 109 CO 0.70 -0.93 2.19 -2.16 0.00 0.00 0.00 175.10 174.89 1ybj s PRO 110 N -0.45 2.88 0.00 2.72 0.04 -1.25 -3.08 135.00 135.86 1ybj s PRO 110 Ca 0.20 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1ybj s PRO 110 Cb -0.17 -4.40 0.00 0.00 0.04 0.00 0.00 34.50 29.97 1ybj s PRO 110 CO -0.06 -2.39 0.00 -0.25 0.04 0.00 0.00 177.00 174.34 1ybj n ASP 111 N 12.60 0.00 -4.76 6.66 8.00 -0.93 -4.53 116.55 133.58 1ybj n ASP 111 Ca 0.30 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.41 1ybj n ASP 111 Cb 0.48 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.60 1ybj n ASP 111 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ybj s VAL 112 N 2.66 2.13 0.38 2.53 1.01 -1.24 -3.11 120.40 124.76 1ybj s VAL 112 Ca 0.00 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.15 1ybj s VAL 112 Cb 0.00 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 1ybj s VAL 112 CO 0.00 0.01 0.22 -0.44 0.00 0.00 0.00 175.10 174.89 1ybj s SER 113 N -0.62 2.30 0.01 3.32 0.01 -0.23 -0.28 113.70 118.22 1ybj s SER 113 Ca 0.63 -1.75 0.00 0.00 1.31 0.00 0.00 55.95 56.14 1ybj s SER 113 Cb -0.42 0.58 -0.01 0.00 0.21 0.00 0.00 66.02 66.38 1ybj s SER 113 CO 0.54 -1.03 -0.03 -0.36 0.41 0.00 0.00 173.24 172.77 1ybj s PHE 114 N -3.30 0.26 -0.23 2.43 0.40 0.65 -0.10 117.98 118.09 1ybj s PHE 114 Ca 0.32 -0.32 -0.26 0.00 -0.60 0.00 0.00 56.93 56.06 1ybj s PHE 114 Cb 0.02 -0.17 0.07 0.00 0.51 0.00 0.00 43.02 43.45 1ybj s PHE 114 CO 0.22 -0.10 0.73 0.20 0.70 0.00 0.00 175.22 176.96 1ybj s GLY 115 N -0.91 -0.53 0.00 4.36 0.00 -0.81 -1.03 107.32 108.39 1ybj s GLY 115 Ca -0.09 1.94 0.00 0.00 0.00 0.00 0.00 44.72 46.57 1ybj s GLY 115 CO -0.00 1.62 0.00 0.61 0.00 0.00 0.00 173.10 175.32 1ybj n GLY 116 N 2.37 1.01 0.14 0.20 0.00 -0.80 0.20 105.19 108.30 1ybj n GLY 116 Ca -0.15 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.13 0.50 0.99 3.38 -1.14 -3.21 115.31 115.70 1ybj h LEU 117 Ca 0.00 0.07 -0.41 0.00 0.09 0.00 0.00 57.88 57.63 1ybj h LEU 117 Cb 0.00 0.12 0.04 0.00 0.09 0.00 0.00 40.66 40.91 1ybj h LEU 117 CO 0.00 -0.03 -0.62 -3.20 0.09 0.00 0.00 178.44 174.68 1ybj n ASN 118 N -5.17 -5.59 -4.58 -0.43 5.15 -1.26 -4.95 115.26 98.43 1ybj n ASN 118 Ca 0.00 -0.38 -0.36 0.00 -0.60 0.00 0.00 54.58 53.24 1ybj n ASN 118 Cb 0.16 -4.51 -0.11 0.00 -0.53 0.00 0.00 39.78 34.79 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 -6.79 3.81 -0.02 1.20 1.43 -1.26 -4.97 118.68 112.08 1ybj s LEU 119 Ca 0.39 -0.01 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 1ybj s LEU 119 Cb -0.18 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 1ybj s LEU 119 CO 0.48 0.05 -0.11 -0.94 0.23 0.00 0.00 176.35 176.06 1ybj s SER 120 N 1.12 1.36 -0.09 2.29 1.04 -1.26 -2.59 113.70 115.57 1ybj s SER 120 Ca 0.06 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.30 1ybj s SER 120 Cb -0.14 -0.23 -0.02 0.00 0.10 0.00 0.00 66.02 65.73 1ybj s SER 120 CO 0.04 0.12 -0.15 -0.94 0.98 0.00 0.00 173.24 173.30 1ybj s SER 121 N -0.12 3.94 0.96 7.02 1.04 -0.82 -4.97 113.70 120.75 1ybj s SER 121 Ca 0.02 -0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.06 1ybj s SER 121 Cb -0.06 -1.19 0.17 0.00 0.10 0.00 0.00 66.02 65.04 1ybj s SER 121 CO -0.00 0.26 1.12 -0.76 0.98 0.00 0.00 173.24 174.84 1ybj s LEU 122 N -0.20 2.44 0.13 2.42 1.02 -1.26 -2.92 118.68 120.31 1ybj s LEU 122 Ca 0.00 2.05 -0.28 0.00 0.02 0.00 0.00 54.13 55.92 1ybj s LEU 122 Cb -0.13 -4.34 -0.06 0.00 0.02 0.00 0.00 46.19 41.68 1ybj s LEU 122 CO 0.03 -3.32 1.60 -0.61 0.02 0.00 0.00 176.35 174.07 1ybj h GLN 123 N -2.02 -0.48 -0.69 1.70 5.75 -1.98 -2.84 115.11 114.54 1ybj h GLN 123 Ca -0.47 0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.06 1ybj h GLN 123 Cb 1.28 0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.94 1ybj h GLN 123 CO 0.43 -0.32 0.00 0.00 -2.65 0.00 0.00 178.83 176.29 1ybj n ALA 124 N -2.85 2.85 0.08 3.38 0.00 -1.26 -3.37 120.51 119.34 1ybj n ALA 124 Ca -0.05 -0.62 -0.17 0.00 0.00 0.00 0.00 53.44 52.60 1ybj n ALA 124 Cb 0.35 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.68 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 1.46 0.47 0.00 0.00 4.20 -1.86 -3.48 115.11 115.89 1ybj h GLN 125 Ca 0.00 -0.58 0.00 0.00 0.06 0.00 0.00 58.65 58.13 1ybj h GLN 125 Cb 0.84 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.80 1ybj h GLN 125 CO 0.13 1.22 0.00 0.41 -0.67 0.00 0.00 178.83 179.92 1ybj n GLY 126 N 1.17 1.66 0.11 3.46 0.00 -1.22 -2.21 105.19 108.17 1ybj n GLY 126 Ca -0.09 -0.51 0.13 0.00 0.00 0.00 0.00 46.02 45.55 1ybj n GLY 126 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ybj n HIS 127 N 12.21 0.94 0.48 1.61 -0.00 -1.26 -3.13 115.22 126.08 1ybj n HIS 127 Ca 0.00 0.28 0.12 0.00 -0.00 0.00 0.00 57.72 58.13 1ybj n HIS 127 Cb 0.00 -0.96 0.20 0.00 -0.00 0.00 0.00 29.99 29.23 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 -2.68 0.26 3.58 -1.82 -3.37 116.42 112.38 1ybj h ASP 128 Ca 0.00 -0.11 -0.53 0.00 0.42 0.00 0.00 57.03 56.80 1ybj h ASP 128 Cb 0.70 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.78 1ybj h ASP 128 CO 0.00 0.06 1.00 -0.83 -2.88 0.00 0.00 179.24 176.59 1ybj s GLY 129 N -3.79 1.55 0.41 -0.78 0.00 -1.18 -4.88 107.32 98.64 1ybj s GLY 129 Ca 0.06 1.22 0.15 0.00 0.00 0.00 0.00 44.72 46.16 1ybj s GLY 129 CO 0.70 2.89 1.87 -0.39 0.00 0.00 0.00 173.10 178.17 1ybj h VAL 130 N 4.78 0.73 -0.60 1.40 -1.51 -1.91 0.49 116.25 119.64 1ybj h VAL 130 Ca -0.43 -0.16 -0.07 0.00 -1.23 0.00 0.00 66.70 64.81 1ybj h VAL 130 Cb 1.20 0.22 -0.02 0.00 -2.13 0.00 0.00 31.29 30.56 1ybj h VAL 130 CO 0.93 0.08 0.10 -0.37 -1.23 0.00 0.00 177.57 177.08 1ybj h VAL 131 N 0.46 1.26 -0.81 7.19 -1.51 -1.90 0.18 116.25 121.12 1ybj h VAL 131 Ca 0.45 -0.99 -0.00 0.00 -1.23 0.00 0.00 66.70 64.92 1ybj h VAL 131 Cb 1.02 0.74 -0.04 0.00 -2.13 0.00 0.00 31.29 30.89 1ybj h VAL 131 CO -0.18 0.37 0.49 -0.74 -1.23 0.00 0.00 177.57 176.28 1ybj h HIS 132 N 0.89 1.06 0.61 5.19 6.17 -1.15 -1.45 115.15 126.47 1ybj h HIS 132 Ca 0.18 0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.23 1ybj h HIS 132 Cb 0.42 -0.35 0.01 0.00 2.52 0.00 0.00 27.41 30.01 1ybj h HIS 132 CO 0.03 0.70 -0.29 1.96 0.71 0.00 0.00 177.93 181.04 1ybj h GLN 133 N 1.11 -0.79 -0.79 5.26 4.20 -0.56 -2.76 115.11 120.79 1ybj h GLN 133 Ca 0.29 0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.06 1ybj h GLN 133 Cb -0.06 0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 1ybj h GLN 133 CO -0.06 -0.53 0.50 -0.39 -0.67 0.00 0.00 178.83 177.69 1ybj h VAL 134 N -1.16 1.21 -0.18 -0.54 -1.51 -0.67 0.10 116.25 113.51 1ybj h VAL 134 Ca -0.08 -0.41 -0.05 0.00 -1.23 0.00 0.00 66.70 64.93 1ybj h VAL 134 Cb 0.63 0.07 -0.00 0.00 -2.13 0.00 0.00 31.29 29.85 1ybj h VAL 134 CO 0.14 0.21 -0.08 1.62 -1.23 0.00 0.00 177.57 178.22 1ybj h VAL 135 N 1.07 1.31 -0.01 7.19 3.04 -1.34 0.21 116.25 127.72 1ybj h VAL 135 Ca 0.29 -1.13 -0.11 0.00 -1.01 0.00 0.00 66.70 64.73 1ybj h VAL 135 Cb -0.10 1.68 -0.02 0.00 -2.01 0.00 0.00 31.29 30.85 1ybj h VAL 135 CO -0.06 0.34 -0.53 1.88 -1.01 0.00 0.00 177.57 178.19 1ybj h TYR 136 N 0.06 0.03 0.50 3.17 -1.99 -1.29 0.52 116.97 117.97 1ybj h TYR 136 Ca 0.04 -0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.74 1ybj h TYR 136 Cb 0.56 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.29 1ybj h TYR 136 CO 0.06 0.55 -0.24 0.78 -0.00 0.00 0.00 178.16 179.31 1ybj h GLY 137 N 1.57 -0.70 0.03 3.88 0.00 -0.62 -1.87 103.07 105.36 1ybj h GLY 137 Ca -0.00 0.26 0.12 0.00 0.00 0.00 0.00 47.33 47.71 1ybj h GLY 137 CO 0.07 -0.25 0.04 1.41 0.00 0.00 0.00 176.54 177.81 1ybj h LEU 138 N -0.69 -0.18 -1.64 3.11 -0.00 -0.15 0.85 115.31 116.61 1ybj h LEU 138 Ca -0.07 0.14 0.11 0.00 -0.00 0.00 0.00 57.88 58.05 1ybj h LEU 138 Cb 0.52 0.23 -0.04 0.00 -0.00 0.00 0.00 40.66 41.38 1ybj h LEU 138 CO 0.11 -0.08 0.41 0.24 -0.00 0.00 0.00 178.44 179.13 1ybj h MET 139 N 0.16 0.38 0.00 1.13 2.86 -0.79 -0.48 114.93 118.20 1ybj h MET 139 Ca 0.32 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1ybj h MET 139 Cb 0.50 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1ybj h MET 139 CO -0.48 0.25 -0.78 0.43 1.06 0.00 0.00 176.91 177.39 1ybj n SER 140 N -4.47 0.63 0.00 1.22 7.64 0.29 -4.82 113.62 114.11 1ybj n SER 140 Ca 0.10 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1ybj n SER 140 Cb 0.40 0.48 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 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 1.39 0.94 3.64 0.23 0.00 0.87 -4.95 105.19 107.31 1ybj n GLY 141 Ca 0.03 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 6.65 0.00 1.61 -1.08 0.26 -4.65 116.67 117.45 1ybj s ASP 142 Ca 0.00 0.80 0.13 0.00 -0.52 0.00 0.00 52.55 52.96 1ybj s ASP 142 Cb 0.00 -2.36 0.36 0.00 -1.46 0.00 0.00 42.92 39.46 1ybj s ASP 142 CO 0.00 -0.38 1.28 0.35 0.52 0.00 0.00 175.17 176.95 1ybj n THR 143 N 5.10 0.92 0.16 1.71 -2.24 -1.26 -2.96 114.28 115.70 1ybj n THR 143 Ca 0.00 -0.96 0.03 0.00 -2.27 0.00 0.00 64.05 60.85 1ybj n THR 143 Cb 0.49 0.57 0.24 0.00 -2.10 0.00 0.00 70.33 69.53 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 2.53 0.00 1.46 3.38 0.00 -1.96 -0.59 103.07 107.89 1ybj h GLY 144 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 1ybj h GLY 144 CO 0.00 0.00 -1.38 0.00 0.00 0.00 0.00 176.54 175.16 1ybj h ALA 145 N 1.51 0.56 -0.15 3.60 0.00 -1.94 -3.33 119.26 119.51 1ybj h ALA 145 Ca -0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 54.91 53.69 1ybj h ALA 145 Cb 1.03 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1ybj h ALA 145 CO 0.06 1.41 0.03 1.25 0.00 0.00 0.00 179.25 182.01 1ybj h LEU 146 N 0.00 0.23 -1.60 0.00 6.46 -1.71 -2.23 115.31 116.47 1ybj h LEU 146 Ca -0.16 -0.24 0.13 0.00 -0.12 0.00 0.00 57.88 57.49 1ybj h LEU 146 Cb 1.90 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 41.73 1ybj h LEU 146 CO 0.11 0.41 0.47 1.05 -0.62 0.00 0.00 178.44 179.85 1ybj h GLU 147 N 0.04 0.41 -0.03 1.25 4.11 -1.27 0.18 114.58 119.26 1ybj h GLU 147 Ca 0.05 -0.02 -0.22 0.00 0.07 0.00 0.00 59.36 59.23 1ybj h GLU 147 Cb 0.27 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1ybj h GLU 147 CO 0.00 0.27 -0.89 0.00 0.07 0.00 0.00 179.01 178.46 1ybj h THR 148 N 0.42 1.36 -0.15 -1.06 1.03 -1.58 -0.75 112.91 112.18 1ybj h THR 148 Ca 0.33 -2.30 -0.04 0.00 -0.01 0.00 0.00 66.41 64.40 1ybj h THR 148 Cb 0.72 2.30 -0.00 0.00 -1.07 0.00 0.00 68.15 70.10 1ybj h THR 148 CO -0.10 0.69 -0.05 0.00 -0.01 0.00 0.00 175.52 176.05 1ybj h ALA 149 N 0.71 0.20 -0.74 0.00 0.00 -0.67 -3.16 119.26 115.61 1ybj h ALA 149 Ca -0.07 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.68 1ybj h ALA 149 Cb 1.52 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 1ybj h ALA 149 CO 0.16 -0.02 0.40 -0.07 0.00 0.00 0.00 179.25 179.71 1ybj h LEU 150 N -0.02 0.55 -0.91 0.00 3.38 -0.62 -0.56 115.31 117.12 1ybj h LEU 150 Ca 0.04 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1ybj h LEU 150 Cb 0.49 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1ybj h LEU 150 CO 0.02 0.32 0.16 0.59 0.09 0.00 0.00 178.44 179.62 1ybj n ASN 151 N -4.81 0.36 0.01 -0.43 3.02 -0.29 -1.91 115.26 111.20 1ybj n ASN 151 Ca 0.11 0.60 -0.14 0.00 -0.03 0.00 0.00 54.58 55.12 1ybj n ASN 151 Cb 0.25 -0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 38.81 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 0.69 0.35 7.41 0.00 -1.17 -0.97 103.07 109.38 1ybj h GLY 152 Ca 0.00 -0.95 -0.21 0.00 0.00 0.00 0.00 47.33 46.17 1ybj h GLY 152 CO 0.00 0.84 -1.08 -2.22 0.00 0.00 0.00 176.54 174.08 1ybj h ILE 153 N 0.44 1.18 -0.65 2.60 5.03 -1.54 -3.38 117.51 121.17 1ybj h ILE 153 Ca -0.03 -2.35 0.06 0.00 -0.12 0.00 0.00 64.86 62.41 1ybj h ILE 153 Cb 1.33 2.77 -0.05 0.00 -3.03 0.00 0.00 36.82 37.83 1ybj h ILE 153 CO 0.14 0.60 0.36 -0.07 -0.68 0.00 0.00 178.15 178.50 1ybj h LEU 154 N -0.59 0.53 -2.28 1.44 -0.00 -1.54 -2.55 115.31 110.33 1ybj h LEU 154 Ca -0.25 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.65 1ybj h LEU 154 Cb 1.52 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 42.10 1ybj h LEU 154 CO -0.00 0.34 -0.05 -0.78 -0.00 0.00 0.00 178.44 177.95 1ybj h ASP 155 N 0.66 0.00 -0.57 -0.43 3.58 -1.18 0.40 116.42 118.88 1ybj h ASP 155 Ca 0.29 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.69 1ybj h ASP 155 Cb 0.19 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 1ybj h ASP 155 CO -0.18 0.05 0.16 -0.78 -2.88 0.00 0.00 179.24 175.60 1ybj h ASP 156 N 0.00 0.89 0.10 2.28 3.58 -1.63 -2.67 116.42 118.96 1ybj h ASP 156 Ca -0.00 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.28 1ybj h ASP 156 Cb 0.14 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.95 1ybj h ASP 156 CO 0.01 0.86 -0.66 -1.22 -2.88 0.00 0.00 179.24 175.34 1ybj n TYR 157 N -4.26 0.00 -0.78 0.28 4.01 0.02 -4.96 117.16 111.46 1ybj n TYR 157 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1ybj n TYR 157 Cb 0.24 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 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 1.45 1.17 1.66 2.72 0.00 0.11 -4.76 105.19 107.55 1ybj n GLY 158 Ca 0.07 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 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 0.57 -4.92 117.00 121.63 1ybj n LEU 159 Ca 0.00 -1.27 -0.03 0.00 -0.01 0.00 0.00 56.01 54.70 1ybj n LEU 159 Cb 0.17 -0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.50 1ybj n LEU 159 CO 0.00 -0.38 0.45 -1.54 -1.51 0.00 0.00 177.39 174.41 1ybj n SER 160 N -1.85 -1.22 0.10 -1.43 3.41 -1.26 -3.37 113.62 108.00 1ybj n SER 160 Ca -0.02 -1.73 0.08 0.00 -0.26 0.00 0.00 58.87 56.94 1ybj n SER 160 Cb 0.28 2.01 0.39 0.00 -0.26 0.00 0.00 64.21 66.63 1ybj n SER 160 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1ybj n VAL 161 N -0.41 1.32 1.29 -3.33 0.24 -1.26 -1.35 118.33 114.82 1ybj n VAL 161 Ca -0.03 0.61 0.10 0.00 -2.04 0.00 0.00 64.34 62.98 1ybj n VAL 161 Cb 0.37 -1.60 0.38 0.00 -1.47 0.00 0.00 33.84 31.53 1ybj n VAL 161 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1ybj n ASN 162 N -2.00 1.51 -4.89 -1.34 3.02 -1.26 -0.03 115.26 110.26 1ybj n ASN 162 Ca -0.01 -1.69 -0.30 0.00 -0.03 0.00 0.00 54.58 52.55 1ybj n ASN 162 Cb 0.04 -0.10 -0.04 0.00 -0.61 0.00 0.00 39.78 39.07 1ybj n ASN 162 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1ybj s SER 163 N -1.55 6.51 0.37 6.41 0.01 -0.46 -4.76 113.70 120.22 1ybj s SER 163 Ca 0.31 0.76 -0.26 0.00 1.31 0.00 0.00 55.95 58.07 1ybj s SER 163 Cb 0.17 -2.16 -0.09 0.00 0.21 0.00 0.00 66.02 64.15 1ybj s SER 163 CO 0.25 -0.12 1.18 -0.89 0.41 0.00 0.00 173.24 174.07 1ybj s THR 164 N -1.93 3.16 0.08 1.44 2.01 -1.26 -1.98 115.64 117.16 1ybj s THR 164 Ca 0.45 1.03 -0.15 0.00 0.31 0.00 0.00 61.69 63.32 1ybj s THR 164 Cb -0.11 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 1ybj s THR 164 CO 0.26 0.15 1.15 0.49 -0.69 0.00 0.00 174.62 175.98 1ybj n PHE 165 N 0.38 -0.22 -0.34 4.92 3.72 0.29 0.12 117.46 126.33 1ybj n PHE 165 Ca 0.03 0.62 0.00 0.00 -0.05 0.00 0.00 57.45 58.05 1ybj n PHE 165 Cb 0.45 -0.51 0.14 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.98 -0.46 4.37 3.58 -1.86 -1.46 116.42 121.58 1ybj h ASP 166 Ca 0.08 -0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.45 1ybj h ASP 166 Cb 0.20 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 1ybj h ASP 166 CO -0.47 0.66 -0.03 1.56 -2.88 0.00 0.00 179.24 178.08 1ybj h GLN 167 N 1.14 0.83 0.15 0.28 4.20 -1.41 -0.46 115.11 119.84 1ybj h GLN 167 Ca 0.38 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1ybj h GLN 167 Cb 0.06 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1ybj h GLN 167 CO -0.14 0.90 -0.07 0.28 -0.67 0.00 0.00 178.83 179.12 1ybj h VAL 168 N 0.67 0.96 -0.66 -0.54 2.07 0.14 0.48 116.25 119.36 1ybj h VAL 168 Ca 0.13 -0.52 0.07 0.00 0.82 0.00 0.00 66.70 67.20 1ybj h VAL 168 Cb 0.54 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.53 1ybj h VAL 168 CO 0.03 0.12 0.34 0.00 0.02 0.00 0.00 177.57 178.08 1ybj h ALA 169 N 0.34 0.89 -0.41 1.67 0.00 -1.28 -1.26 119.26 119.21 1ybj h ALA 169 Ca -0.02 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1ybj h ALA 169 Cb 0.36 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1ybj h ALA 169 CO 0.03 -0.02 -0.16 0.00 0.00 0.00 0.00 179.25 179.11 1ybj h ALA 170 N 1.37 0.94 -0.16 0.00 0.00 -0.93 -2.20 119.26 118.28 1ybj h ALA 170 Ca 0.31 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1ybj h ALA 170 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ybj h ALA 170 CO -0.22 0.61 -0.37 0.00 0.00 0.00 0.00 179.25 179.28 1ybj h ALA 171 N 1.13 1.06 0.00 0.00 0.00 0.97 0.57 119.26 122.98 1ybj h ALA 171 Ca 0.11 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 1ybj h ALA 171 Cb 0.65 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1ybj h ALA 171 CO 0.05 0.59 -0.77 1.79 0.00 0.00 0.00 179.25 180.90 1ybj h THR 172 N 0.30 0.76 0.01 0.00 1.35 -1.26 -2.02 112.91 112.05 1ybj h THR 172 Ca 0.03 -2.15 -0.21 0.00 -0.55 0.00 0.00 66.41 63.53 1ybj h THR 172 Cb 0.79 2.30 0.02 0.00 -1.73 0.00 0.00 68.15 69.54 1ybj h THR 172 CO 0.06 0.43 -0.83 0.00 -0.25 0.00 0.00 175.52 174.93 1ybj h ALA 173 N 1.48 0.09 0.00 6.62 0.00 -0.67 -1.62 119.26 125.16 1ybj h ALA 173 Ca -0.05 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1ybj h ALA 173 Cb 1.44 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1ybj h ALA 173 CO 0.06 0.52 0.00 1.55 0.00 0.00 0.00 179.25 181.38 1ybj n VAL 174 N -4.03 0.00 1.39 0.00 3.14 0.10 -4.77 118.33 114.17 1ybj n VAL 174 Ca -0.11 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.40 1ybj n VAL 174 Cb 0.78 0.00 0.69 0.00 -1.06 0.00 0.00 33.84 34.26 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 -0.94 3.26 7.55 0.00 0.16 -4.68 105.19 110.54 1ybj n GLY 175 Ca 0.00 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.13 0.00 -1.21 1.61 0.24 -1.12 -4.70 118.33 112.02 1ybj n VAL 176 Ca 0.16 -0.25 -0.30 0.00 -2.04 0.00 0.00 64.34 61.91 1ybj n VAL 176 Cb 0.14 -1.00 0.07 0.00 -1.47 0.00 0.00 33.84 31.59 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 5.92 2.45 0.00 7.34 6.02 -1.26 -5.19 117.38 132.67 1ybj n GLN 177 Ca 0.22 -2.85 0.00 0.00 -0.01 0.00 0.00 57.00 54.37 1ybj n GLN 177 Cb 0.38 -2.12 0.00 0.00 1.02 0.00 0.00 30.24 29.53 1ybj n GLN 177 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77