#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qtd n ASN 2 N 0.00 -1.05 -0.15 6.12 0.23 -1.26 -5.01 115.26 114.15 1qtd n ASN 2 Ca 0.00 -2.38 -0.03 0.00 -0.53 0.00 0.00 54.58 51.64 1qtd n ASN 2 Cb 0.00 1.93 0.04 0.00 -2.08 0.00 0.00 39.78 39.67 1qtd n ASN 2 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 1qtd h ILE 3 N 1.75 0.57 -0.08 1.53 6.09 -1.97 0.70 117.51 126.09 1qtd h ILE 3 Ca -0.20 -0.02 0.01 0.00 -1.37 0.00 0.00 64.86 63.28 1qtd h ILE 3 Cb 0.88 0.51 -0.01 0.00 0.47 0.00 0.00 36.82 38.67 1qtd h ILE 3 CO 0.27 0.01 0.02 -0.26 -3.07 0.00 0.00 178.15 175.12 1qtd h PHE 4 N 0.05 0.03 -0.77 2.19 -1.00 -1.99 -0.85 116.94 114.59 1qtd h PHE 4 Ca 0.24 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.99 1qtd h PHE 4 Cb 0.36 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.89 1qtd h PHE 4 CO -0.36 0.01 0.34 0.93 -1.61 0.00 0.00 178.31 177.62 1qtd h GLU 5 N 0.05 1.12 0.41 1.51 5.08 -1.50 -1.59 114.58 119.67 1qtd h GLU 5 Ca 0.04 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1qtd h GLU 5 Cb 0.03 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1qtd h GLU 5 CO -0.05 0.88 -0.36 1.98 -1.00 0.00 0.00 179.01 180.47 1qtd h MET 6 N 1.11 -0.75 0.00 2.33 4.05 0.97 -1.72 114.93 120.92 1qtd h MET 6 Ca 0.26 0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.66 1qtd h MET 6 Cb 0.15 0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 1qtd h MET 6 CO -0.03 -0.50 -0.37 -0.07 0.23 0.00 0.00 176.91 176.17 1qtd h LEU 7 N -0.78 0.00 -0.81 3.39 3.38 -1.11 -2.50 115.31 116.88 1qtd h LEU 7 Ca -0.04 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1qtd h LEU 7 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1qtd h LEU 7 CO -0.03 0.37 0.03 -0.09 0.09 0.00 0.00 178.44 178.81 1qtd h ARG 8 N 0.00 0.92 -0.19 1.13 2.43 -1.11 0.85 114.38 118.40 1qtd h ARG 8 Ca -0.00 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 58.89 1qtd h ARG 8 Cb 0.95 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1qtd h ARG 8 CO 0.05 0.90 0.02 0.82 -1.51 0.00 0.00 179.97 180.25 1qtd h ILE 9 N 0.86 1.23 0.00 1.20 2.04 -1.02 -1.08 117.51 120.74 1qtd h ILE 9 Ca 0.16 -0.78 -0.06 0.00 1.00 0.00 0.00 64.86 65.19 1qtd h ILE 9 Cb 0.47 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1qtd h ILE 9 CO 0.02 0.24 -0.30 0.44 0.00 0.00 0.00 178.15 178.55 1qtd h ASP 10 N 0.10 0.00 0.00 1.72 3.32 -0.96 -3.30 116.42 117.31 1qtd h ASP 10 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1qtd h ASP 10 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1qtd h ASP 10 CO 0.01 0.30 -1.21 -0.62 -1.72 0.00 0.00 179.24 175.99 1qtd n GLU 11 N -4.03 1.31 -0.18 3.56 -0.58 0.23 -5.07 120.64 115.89 1qtd n GLU 11 Ca -0.02 -0.07 0.02 0.00 -0.42 0.00 0.00 57.16 56.67 1qtd n GLU 11 Cb 0.36 -1.21 -0.01 0.00 -0.57 0.00 0.00 31.44 30.01 1qtd n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qtd n GLY 12 N 1.62 -1.33 2.64 0.62 0.00 -0.41 -4.20 105.19 104.13 1qtd n GLY 12 Ca -0.01 -1.12 -0.27 0.00 0.00 0.00 0.00 46.02 44.62 1qtd n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qtd s LEU 13 N 0.00 0.69 -0.18 0.99 2.96 -1.26 -4.11 118.68 117.77 1qtd s LEU 13 Ca 0.00 -0.80 -0.01 0.00 -0.22 0.00 0.00 54.13 53.10 1qtd s LEU 13 Cb 0.00 -0.38 0.00 0.00 0.50 0.00 0.00 46.19 46.31 1qtd s LEU 13 CO 0.00 -0.35 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.42 1qtd s ARG 14 N 2.03 3.21 0.00 1.98 1.81 0.12 -4.99 118.95 123.11 1qtd s ARG 14 Ca 0.02 -0.73 0.29 0.00 -1.72 0.00 0.00 55.73 53.59 1qtd s ARG 14 Cb -0.16 -2.72 1.17 0.00 -0.45 0.00 0.00 34.95 32.79 1qtd s ARG 14 CO -0.13 -0.10 1.82 1.28 -0.68 0.00 0.00 175.30 177.49 1qtd n LEU 15 N 4.40 0.77 -4.06 2.53 4.77 -1.26 0.95 117.00 125.09 1qtd n LEU 15 Ca -0.19 -0.17 -0.18 0.00 -0.03 0.00 0.00 56.01 55.44 1qtd n LEU 15 Cb 0.51 -0.10 -0.14 0.00 -2.33 0.00 0.00 43.42 41.36 1qtd n LEU 15 CO 0.28 0.14 -0.43 -1.59 -1.33 0.00 0.00 177.39 174.45 1qtd s LYS 16 N -2.31 0.73 0.87 3.23 0.00 -1.26 0.45 119.74 121.46 1qtd s LYS 16 Ca 0.32 -0.53 -0.16 0.00 0.00 0.00 0.00 55.97 55.60 1qtd s LYS 16 Cb 0.20 -0.68 -0.10 0.00 0.00 0.00 0.00 37.83 37.25 1qtd s LYS 16 CO 0.44 0.17 -0.32 -0.89 0.00 0.00 0.00 175.35 174.75 1qtd n ILE 17 N 2.30 0.22 -3.57 3.79 -0.00 -0.97 -4.74 119.36 116.38 1qtd n ILE 17 Ca -0.17 -0.43 -0.07 0.00 -0.00 0.00 0.00 62.75 62.08 1qtd n ILE 17 Cb 0.56 -0.20 -0.02 0.00 -0.00 0.00 0.00 39.64 39.98 1qtd n ILE 17 CO 0.00 0.00 0.00 -0.72 -0.00 0.00 0.00 176.55 175.83 1qtd s TYR 18 N -2.06 -0.29 -0.18 1.39 -0.85 0.27 -4.93 117.35 110.71 1qtd s TYR 18 Ca 0.49 0.10 -0.16 0.00 -0.52 0.00 0.00 57.07 56.98 1qtd s TYR 18 Cb -0.26 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 42.61 1qtd s TYR 18 CO 0.74 -0.64 0.39 0.15 -1.52 0.00 0.00 175.55 174.68 1qtd s LYS 19 N -3.19 4.23 0.00 -3.49 1.02 -1.23 0.21 119.74 117.28 1qtd s LYS 19 Ca 0.07 0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.29 1qtd s LYS 19 Cb -0.01 -3.49 0.00 0.00 -0.52 0.00 0.00 37.83 33.81 1qtd s LYS 19 CO -0.06 0.06 0.00 -0.40 -0.92 0.00 0.00 175.35 174.03 1qtd n ASP 20 N 4.13 0.00 0.01 2.83 5.75 0.34 -4.71 116.55 124.90 1qtd n ASP 20 Ca -0.09 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.56 1qtd n ASP 20 Cb 0.51 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.51 1qtd n ASP 20 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1qtd h THR 21 N -0.24 1.27 0.00 2.12 1.35 -1.99 -2.08 112.91 113.34 1qtd h THR 21 Ca 0.00 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1qtd h THR 21 Cb 0.00 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1qtd h THR 21 CO 0.00 0.26 0.00 -0.62 -0.25 0.00 0.00 175.52 174.91 1qtd n GLU 22 N -4.90 0.40 -0.81 4.72 -0.58 -1.26 -4.80 120.64 113.41 1qtd n GLU 22 Ca -0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 1qtd n GLU 22 Cb 0.24 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 1qtd n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qtd n GLY 23 N -0.19 0.50 3.91 0.62 0.00 -0.78 -5.05 105.19 104.20 1qtd n GLY 23 Ca 0.08 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 1qtd n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qtd s TYR 24 N -2.00 3.55 -0.10 1.61 4.12 -1.26 -4.52 117.35 118.74 1qtd s TYR 24 Ca 0.00 0.80 -0.28 0.00 0.02 0.00 0.00 57.07 57.61 1qtd s TYR 24 Cb 0.00 -2.28 -0.02 0.00 -1.52 0.00 0.00 41.96 38.14 1qtd s TYR 24 CO 0.00 -0.23 0.91 0.71 0.02 0.00 0.00 175.55 176.96 1qtd s TYR 25 N -2.68 3.52 0.17 2.71 1.51 -1.19 0.13 117.35 121.52 1qtd s TYR 25 Ca 0.47 1.47 -0.05 0.00 -1.01 0.00 0.00 57.07 57.95 1qtd s TYR 25 Cb -0.10 -3.08 -0.02 0.00 -0.11 0.00 0.00 41.96 38.64 1qtd s TYR 25 CO 0.43 -0.16 0.21 0.99 -1.11 0.00 0.00 175.55 175.91 1qtd s THR 26 N 1.75 0.05 0.25 -0.71 2.01 0.58 -0.33 115.64 119.23 1qtd s THR 26 Ca 0.45 -1.69 -0.17 0.00 0.31 0.00 0.00 61.69 60.59 1qtd s THR 26 Cb -0.18 -2.11 0.01 0.00 0.01 0.00 0.00 72.50 70.23 1qtd s THR 26 CO 0.18 -0.23 0.58 -0.51 -0.69 0.00 0.00 174.62 173.94 1qtd s ILE 27 N -4.04 0.01 0.00 1.82 2.07 -0.91 0.96 121.20 121.10 1qtd s ILE 27 Ca 0.25 -1.11 0.00 0.00 -1.41 0.00 0.00 60.65 58.39 1qtd s ILE 27 Cb 0.05 -1.98 0.00 0.00 0.13 0.00 0.00 42.46 40.66 1qtd s ILE 27 CO 0.05 -0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 1qtd n GLY 28 N -0.40 3.69 2.86 1.50 0.00 0.27 -1.74 105.19 111.37 1qtd n GLY 28 Ca -0.04 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1qtd n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1qtd n ILE 29 N 0.00 3.46 -1.04 -0.61 5.41 -1.26 -0.70 119.36 124.63 1qtd n ILE 29 Ca 0.00 -5.38 -0.01 0.00 1.00 0.00 0.00 62.75 58.36 1qtd n ILE 29 Cb 0.00 -2.20 -0.01 0.00 -0.71 0.00 0.00 39.64 36.72 1qtd n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1qtd n GLY 30 N 1.55 0.48 3.60 7.39 0.00 -1.24 -4.91 105.19 112.06 1qtd n GLY 30 Ca 0.26 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1qtd n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qtd s HIS 31 N -1.87 2.88 -0.13 1.61 5.04 -0.71 -4.93 115.29 117.18 1qtd s HIS 31 Ca 0.00 0.71 -0.29 0.00 -1.54 0.00 0.00 55.06 53.94 1qtd s HIS 31 Cb 0.00 -4.24 -0.03 0.00 0.04 0.00 0.00 32.58 28.35 1qtd s HIS 31 CO 0.00 -1.17 1.46 -1.17 -2.34 0.00 0.00 174.74 171.52 1qtd s LEU 32 N 4.20 4.21 -0.13 8.88 2.96 -1.26 -2.13 118.68 135.41 1qtd s LEU 32 Ca 0.45 1.90 -0.07 0.00 -0.22 0.00 0.00 54.13 56.20 1qtd s LEU 32 Cb -0.08 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.04 1qtd s LEU 32 CO 0.28 -0.88 -0.09 -0.07 -1.32 0.00 0.00 176.35 174.28 1qtd h LEU 33 N 10.14 0.00 -7.27 -0.68 3.38 -1.03 -3.49 115.31 116.35 1qtd h LEU 33 Ca -0.32 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.47 1qtd h LEU 33 Cb 1.14 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.62 1qtd h LEU 33 CO 0.97 0.70 -0.34 0.28 0.09 0.00 0.00 178.44 180.14 1qtd s THR 34 N -2.01 -0.02 -1.61 0.22 -1.32 -1.10 -4.95 115.64 104.85 1qtd s THR 34 Ca -0.10 0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.46 1qtd s THR 34 Cb 0.01 -0.54 0.00 0.00 -1.51 0.00 0.00 72.50 70.46 1qtd s THR 34 CO 0.16 0.04 0.52 0.29 -2.21 0.00 0.00 174.62 173.42 1qtd n LYS 35 N 3.99 0.64 -1.14 7.08 5.02 -1.26 -3.16 118.16 129.33 1qtd n LYS 35 Ca -0.22 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 1qtd n LYS 35 Cb 0.55 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.44 1qtd n LYS 35 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1qtd n SER 36 N -0.24 0.39 -0.00 4.39 3.41 -1.26 -5.02 113.62 115.28 1qtd n SER 36 Ca 0.00 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 1qtd n SER 36 Cb 0.06 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 1qtd n SER 36 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1qtd n PRO 37 N -0.77 0.79 -1.61 4.33 -0.01 -1.26 -4.46 135.00 132.01 1qtd n PRO 37 Ca 0.00 -0.01 -0.42 0.00 -0.01 0.00 0.00 63.50 63.06 1qtd n PRO 37 Cb 0.00 -1.03 -0.03 0.00 -0.01 0.00 0.00 33.50 32.43 1qtd n PRO 37 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 175.50 175.94 1qtd s SER 38 N -2.37 5.33 0.39 2.55 0.15 -1.26 -4.76 113.70 113.74 1qtd s SER 38 Ca -0.01 1.77 0.25 0.00 0.70 0.00 0.00 55.95 58.67 1qtd s SER 38 Cb 0.01 -2.51 1.37 0.00 -1.71 0.00 0.00 66.02 63.18 1qtd s SER 38 CO 0.06 -2.08 1.76 0.25 1.20 0.00 0.00 173.24 174.43 1qtd h LEU 39 N 15.63 0.00 0.05 3.45 5.85 -1.99 0.59 115.31 138.89 1qtd h LEU 39 Ca -0.39 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.04 1qtd h LEU 39 Cb 1.24 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 1qtd h LEU 39 CO 0.99 0.00 -1.54 0.78 -0.34 0.00 0.00 178.44 178.32 1qtd h ASN 40 N 0.00 0.18 -0.60 1.25 2.35 -1.99 -2.01 115.58 114.76 1qtd h ASN 40 Ca 0.00 -0.29 0.12 0.00 -0.55 0.00 0.00 56.30 55.59 1qtd h ASN 40 Cb 0.07 -0.06 -0.11 0.00 0.05 0.00 0.00 38.32 38.27 1qtd h ASN 40 CO 0.00 1.25 -0.08 0.00 -1.65 0.00 0.00 177.43 176.95 1qtd h ALA 41 N 0.73 0.50 -0.51 -0.83 0.00 -0.22 0.12 119.26 119.04 1qtd h ALA 41 Ca -0.23 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1qtd h ALA 41 Cb 1.97 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 20.14 1qtd h ALA 41 CO 0.12 -0.42 0.07 0.00 0.00 0.00 0.00 179.25 179.02 1qtd h ALA 42 N 1.58 0.68 -0.18 0.00 0.00 -1.25 -2.23 119.26 117.86 1qtd h ALA 42 Ca 0.30 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1qtd h ALA 42 Cb 0.48 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1qtd h ALA 42 CO -0.57 0.43 -0.24 0.87 0.00 0.00 0.00 179.25 179.74 1qtd h LYS 43 N 0.74 0.32 0.28 0.00 1.57 -0.39 -1.02 116.57 118.08 1qtd h LYS 43 Ca 0.15 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1qtd h LYS 43 Cb 0.42 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1qtd h LYS 43 CO 0.01 0.55 -0.19 1.03 -0.57 0.00 0.00 179.45 180.28 1qtd h SER 44 N 0.29 -0.49 -0.76 0.86 0.87 -0.46 0.21 113.55 114.08 1qtd h SER 44 Ca 0.05 0.03 0.11 0.00 -1.23 0.00 0.00 61.79 60.75 1qtd h SER 44 Cb 0.59 0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.65 1qtd h SER 44 CO 0.04 -0.30 0.50 -0.33 -0.53 0.00 0.00 176.83 176.20 1qtd h GLU 45 N -0.47 0.58 -0.29 2.24 4.39 -1.16 0.23 114.58 120.09 1qtd h GLU 45 Ca -0.02 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 1qtd h GLU 45 Cb 0.40 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1qtd h GLU 45 CO 0.01 0.38 -0.10 1.25 -1.16 0.00 0.00 179.01 179.40 1qtd h LEU 46 N 0.59 0.59 -0.30 1.33 5.85 -0.36 -1.91 115.31 121.11 1qtd h LEU 46 Ca 0.36 -0.38 0.06 0.00 0.84 0.00 0.00 57.88 58.76 1qtd h LEU 46 Cb 0.58 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 1qtd h LEU 46 CO -0.13 0.84 -0.13 0.44 -0.34 0.00 0.00 178.44 179.12 1qtd h ASP 47 N 0.34 -0.43 -0.79 1.25 5.19 0.25 -0.52 116.42 121.70 1qtd h ASP 47 Ca 0.07 0.11 0.07 0.00 -0.62 0.00 0.00 57.03 56.66 1qtd h ASP 47 Cb 0.59 0.25 -0.05 0.00 0.18 0.00 0.00 39.33 40.30 1qtd h ASP 47 CO 0.03 -0.16 0.52 0.11 -3.12 0.00 0.00 179.24 176.62 1qtd h LYS 48 N -0.08 0.83 -0.10 3.56 1.57 -0.83 0.46 116.57 121.99 1qtd h LYS 48 Ca 0.15 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1qtd h LYS 48 Cb 0.31 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1qtd h LYS 48 CO -0.35 0.55 -0.11 0.00 -0.57 0.00 0.00 179.45 178.96 1qtd h ALA 49 N 1.57 0.15 0.05 3.86 0.00 -0.49 -3.31 119.26 121.08 1qtd h ALA 49 Ca 0.34 -0.31 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 1qtd h ALA 49 Cb 0.25 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1qtd h ALA 49 CO -0.12 0.00 -1.30 0.82 0.00 0.00 0.00 179.25 178.65 1qtd h ILE 50 N -0.16 1.38 0.00 0.00 1.08 -0.97 -3.48 117.51 115.36 1qtd h ILE 50 Ca 0.01 -3.08 0.00 0.00 -0.39 0.00 0.00 64.86 61.40 1qtd h ILE 50 Cb 0.64 2.75 0.00 0.00 -3.07 0.00 0.00 36.82 37.15 1qtd h ILE 50 CO 0.03 0.83 0.00 0.61 -0.69 0.00 0.00 178.15 178.93 1qtd n GLY 51 N 1.49 0.92 3.47 5.37 0.00 0.16 -5.06 105.19 111.54 1qtd n GLY 51 Ca -0.09 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 1qtd n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qtd s ARG 52 N -2.15 1.32 -0.31 1.61 1.70 -0.95 -5.02 118.95 115.14 1qtd s ARG 52 Ca 0.00 -0.91 -0.29 0.00 -0.47 0.00 0.00 55.73 54.06 1qtd s ARG 52 Cb 0.00 0.49 0.01 0.00 -0.57 0.00 0.00 34.95 34.88 1qtd s ARG 52 CO 0.00 -0.54 1.18 1.21 -1.08 0.00 0.00 175.30 176.07 1qtd s ASN 53 N -2.89 6.81 -0.01 -2.89 3.04 -1.26 -4.33 114.94 113.41 1qtd s ASN 53 Ca 0.10 1.12 0.15 0.00 0.04 0.00 0.00 52.86 54.27 1qtd s ASN 53 Cb -0.00 -2.54 -0.22 0.00 -1.54 0.00 0.00 41.25 36.95 1qtd s ASN 53 CO -0.03 -0.98 0.43 0.35 -3.04 0.00 0.00 177.10 173.84 1qtd n THR 54 N 6.04 0.00 -2.38 -5.21 -2.24 -1.26 -4.98 114.28 104.24 1qtd n THR 54 Ca 0.13 -0.29 -0.18 0.00 -2.27 0.00 0.00 64.05 61.44 1qtd n THR 54 Cb 0.47 0.41 -0.01 0.00 -2.10 0.00 0.00 70.33 69.09 1qtd n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1qtd n ASN 55 N -1.83 -5.16 -0.75 3.42 2.85 -1.26 -2.14 115.26 110.40 1qtd n ASN 55 Ca -0.01 0.08 -0.08 0.00 -0.11 0.00 0.00 54.58 54.46 1qtd n ASN 55 Cb 0.35 -4.33 -0.02 0.00 1.24 0.00 0.00 39.78 37.02 1qtd n ASN 55 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qtd n GLY 56 N -0.91 0.57 2.87 8.20 0.00 -1.26 -5.00 105.19 109.66 1qtd n GLY 56 Ca -0.21 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.05 1qtd n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qtd s VAL 57 N -2.34 0.13 0.40 1.61 1.01 -0.91 -2.30 120.40 118.00 1qtd s VAL 57 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.01 1qtd s VAL 57 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 1qtd s VAL 57 CO 0.00 0.07 0.17 0.27 0.00 0.00 0.00 175.10 175.61 1qtd s ILE 58 N 0.28 0.41 0.22 2.22 -4.36 0.17 -4.80 121.20 115.34 1qtd s ILE 58 Ca -0.02 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.36 1qtd s ILE 58 Cb -0.05 -2.34 -0.04 0.00 1.25 0.00 0.00 42.46 41.29 1qtd s ILE 58 CO -0.01 0.00 0.41 0.42 0.24 0.00 0.00 174.94 176.00 1qtd s THR 59 N -3.24 5.20 0.24 8.37 -4.23 -1.26 -4.79 115.64 115.93 1qtd s THR 59 Ca 0.26 -0.43 -0.07 0.00 -1.18 0.00 0.00 61.69 60.27 1qtd s THR 59 Cb 0.02 -3.76 0.27 0.00 1.34 0.00 0.00 72.50 70.36 1qtd s THR 59 CO 0.18 -0.23 1.64 0.50 -0.54 0.00 0.00 174.62 176.16 1qtd h LYS 60 N 1.78 0.10 -0.92 3.99 3.64 -1.98 1.14 116.57 124.33 1qtd h LYS 60 Ca -0.49 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 58.94 1qtd h LYS 60 Cb 1.20 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 1qtd h LYS 60 CO 0.67 0.07 0.59 -0.44 -2.27 0.00 0.00 179.45 178.06 1qtd h ASP 61 N 0.11 0.96 0.86 4.20 3.32 -1.98 0.29 116.42 124.17 1qtd h ASP 61 Ca 0.40 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.30 1qtd h ASP 61 Cb 0.69 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1qtd h ASP 61 CO -0.65 0.64 -0.74 -0.33 -1.72 0.00 0.00 179.24 176.44 1qtd h GLU 62 N 1.11 0.00 0.00 3.56 5.08 -0.28 -1.63 114.58 122.41 1qtd h GLU 62 Ca 0.38 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.63 1qtd h GLU 62 Cb 0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1qtd h GLU 62 CO -0.15 0.74 -0.55 0.00 -1.00 0.00 0.00 179.01 178.05 1qtd h ALA 63 N 1.26 1.03 -0.01 3.43 0.00 0.29 -1.94 119.26 123.33 1qtd h ALA 63 Ca -0.01 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.25 1qtd h ALA 63 Cb 1.36 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1qtd h ALA 63 CO 0.10 0.69 -0.71 0.93 0.00 0.00 0.00 179.25 180.25 1qtd h GLU 64 N 0.00 0.07 -0.14 0.00 5.08 -0.12 -2.51 114.58 116.95 1qtd h GLU 64 Ca -0.01 -0.06 -0.23 0.00 -1.00 0.00 0.00 59.36 58.07 1qtd h GLU 64 Cb 1.01 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.28 1qtd h GLU 64 CO 0.07 0.75 -0.80 -0.22 -1.00 0.00 0.00 179.01 177.81 1qtd h LYS 65 N 0.04 0.80 -0.93 2.33 3.64 -1.08 -1.55 116.57 119.82 1qtd h LYS 65 Ca -0.01 -0.67 0.01 0.00 -1.27 0.00 0.00 60.65 58.71 1qtd h LYS 65 Cb 1.26 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 33.18 1qtd h LYS 65 CO 0.10 1.27 0.62 -0.07 -2.27 0.00 0.00 179.45 179.09 1qtd h LEU 66 N 0.54 1.06 0.10 5.20 3.38 -1.23 -2.97 115.31 121.40 1qtd h LEU 66 Ca -0.06 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1qtd h LEU 66 Cb 1.44 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1qtd h LEU 66 CO 0.17 0.77 -0.06 0.15 0.09 0.00 0.00 178.44 179.55 1qtd h PHE 67 N 1.25 -0.16 -0.72 1.13 3.57 -1.21 0.16 116.94 120.97 1qtd h PHE 67 Ca 0.34 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.91 1qtd h PHE 67 Cb -0.14 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 1qtd h PHE 67 CO -0.00 -0.10 0.39 -0.91 -2.23 0.00 0.00 178.31 175.47 1qtd h ASN 68 N -0.16 0.57 -0.28 0.41 2.35 -1.19 0.87 115.58 118.15 1qtd h ASN 68 Ca -0.01 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1qtd h ASN 68 Cb 0.13 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1qtd h ASN 68 CO 0.01 0.35 0.11 1.56 -1.65 0.00 0.00 177.43 177.81 1qtd h GLN 69 N 0.70 0.42 -0.58 0.81 4.20 -1.36 0.51 115.11 119.80 1qtd h GLN 69 Ca 0.33 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 1qtd h GLN 69 Cb 0.26 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 1qtd h GLN 69 CO -0.21 0.44 0.33 -0.44 -0.67 0.00 0.00 178.83 178.27 1qtd h ASP 70 N 0.30 0.72 -0.21 1.46 3.32 0.12 -0.75 116.42 121.38 1qtd h ASP 70 Ca 0.09 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1qtd h ASP 70 Cb 0.18 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1qtd h ASP 70 CO -0.01 0.60 -0.06 0.58 -1.72 0.00 0.00 179.24 178.63 1qtd h VAL 71 N 0.79 1.29 0.05 -1.35 2.07 0.11 -2.67 116.25 116.53 1qtd h VAL 71 Ca 0.21 -1.05 0.02 0.00 0.82 0.00 0.00 66.70 66.70 1qtd h VAL 71 Cb 0.03 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1qtd h VAL 71 CO -0.03 0.32 -0.49 -0.78 0.02 0.00 0.00 177.57 176.61 1qtd h ASP 72 N 0.14 -1.48 -0.92 0.57 3.58 0.20 -1.42 116.42 117.10 1qtd h ASP 72 Ca 0.05 0.17 0.25 0.00 0.42 0.00 0.00 57.03 57.92 1qtd h ASP 72 Cb 0.51 0.56 -0.14 0.00 1.72 0.00 0.00 39.33 41.98 1qtd h ASP 72 CO 0.02 -0.51 0.39 0.00 -2.88 0.00 0.00 179.24 176.26 1qtd h ALA 73 N -0.30 1.52 0.19 -0.78 0.00 -1.15 0.14 119.26 118.87 1qtd h ALA 73 Ca 0.02 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1qtd h ALA 73 Cb 0.71 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1qtd h ALA 73 CO -0.31 -0.43 -0.09 0.00 0.00 0.00 0.00 179.25 178.41 1qtd h ALA 74 N 1.77 -0.26 -1.00 0.00 0.00 -0.99 -0.23 119.26 118.55 1qtd h ALA 74 Ca 0.60 -0.11 0.31 0.00 0.00 0.00 0.00 54.91 55.71 1qtd h ALA 74 Cb 1.23 0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.97 1qtd h ALA 74 CO -0.59 -0.58 0.57 0.28 0.00 0.00 0.00 179.25 178.93 1qtd h VAL 75 N -0.38 0.34 0.15 0.00 2.07 0.28 0.37 116.25 119.08 1qtd h VAL 75 Ca -0.03 -0.12 -0.28 0.00 0.82 0.00 0.00 66.70 67.09 1qtd h VAL 75 Cb 0.29 -0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1qtd h VAL 75 CO 0.04 0.07 -1.28 0.03 0.02 0.00 0.00 177.57 176.45 1qtd h ARG 76 N 0.36 0.32 -0.43 1.57 -0.00 -1.13 -2.50 114.38 112.58 1qtd h ARG 76 Ca 0.72 -0.55 0.07 0.00 -0.50 0.00 0.00 59.98 59.73 1qtd h ARG 76 Cb 1.59 0.20 -0.06 0.00 0.00 0.00 0.00 29.97 31.70 1qtd h ARG 76 CO -0.59 1.26 0.04 0.78 0.00 0.00 0.00 179.97 181.46 1qtd h GLY 77 N 1.33 0.47 0.44 0.04 0.00 0.90 0.15 103.07 106.40 1qtd h GLY 77 Ca -0.15 0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.21 1qtd h GLY 77 CO 0.22 -0.08 -0.33 -2.22 0.00 0.00 0.00 176.54 174.12 1qtd h ILE 78 N 0.16 0.30 0.00 2.60 2.04 -1.28 0.14 117.51 121.47 1qtd h ILE 78 Ca 0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.07 1qtd h ILE 78 Cb 0.29 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1qtd h ILE 78 CO -0.31 0.00 0.00 -0.07 0.00 0.00 0.00 178.15 177.77 1qtd h LEU 79 N -0.57 0.00 0.00 1.44 3.38 -0.96 -1.60 115.31 116.99 1qtd h LEU 79 Ca 0.02 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 1qtd h LEU 79 Cb 0.59 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1qtd h LEU 79 CO -0.18 0.00 -2.00 0.54 0.09 0.00 0.00 178.44 176.89 1qtd n ARG 80 N -2.46 0.66 -2.08 1.13 1.74 0.48 -4.81 116.66 111.32 1qtd n ARG 80 Ca -0.01 0.02 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 1qtd n ARG 80 Cb 0.07 -1.61 -0.02 0.00 -1.02 0.00 0.00 32.46 29.87 1qtd n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1qtd s ASN 81 N -5.36 6.74 0.29 0.55 3.84 0.36 -4.90 114.94 116.46 1qtd s ASN 81 Ca -0.07 2.60 0.15 0.00 0.21 0.00 0.00 52.86 55.75 1qtd s ASN 81 Cb 0.09 -2.62 0.23 0.00 -0.55 0.00 0.00 41.25 38.39 1qtd s ASN 81 CO 0.84 -0.63 1.52 0.00 -2.79 0.00 0.00 177.10 176.04 1qtd h ALA 82 N 4.91 0.74 0.01 1.71 0.00 -1.90 0.31 119.26 125.04 1qtd h ALA 82 Ca -0.46 -0.46 -0.34 0.00 0.00 0.00 0.00 54.91 53.65 1qtd h ALA 82 Cb 1.22 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1qtd h ALA 82 CO 0.76 0.64 -2.06 1.63 0.00 0.00 0.00 179.25 180.21 1qtd n LYS 83 N -3.33 0.67 0.00 0.00 4.76 -1.26 -4.53 118.16 114.47 1qtd n LYS 83 Ca 0.01 0.16 -0.21 0.00 -2.87 0.00 0.00 58.31 55.40 1qtd n LYS 83 Cb 0.69 -1.66 -0.14 0.00 -1.84 0.00 0.00 35.03 32.08 1qtd n LYS 83 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1qtd h LEU 84 N 0.01 0.35 -0.82 -0.35 3.38 -1.81 -3.33 115.31 112.74 1qtd h LEU 84 Ca -0.43 -0.84 0.11 0.00 0.09 0.00 0.00 57.88 56.82 1qtd h LEU 84 Cb 2.10 -0.12 -0.13 0.00 0.09 0.00 0.00 40.66 42.61 1qtd h LEU 84 CO 0.05 1.61 -0.45 0.50 0.09 0.00 0.00 178.44 180.24 1qtd h LYS 85 N -0.34 -0.09 -0.12 1.13 3.64 0.05 0.11 116.57 120.96 1qtd h LYS 85 Ca -0.31 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.02 1qtd h LYS 85 Cb 1.73 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.56 1qtd h LYS 85 CO 0.04 -0.06 -0.22 -1.00 -2.27 0.00 0.00 179.45 175.94 1qtd h PRO 86 N -0.10 0.20 -0.29 1.90 0.13 -1.79 -0.39 132.00 131.66 1qtd h PRO 86 Ca 0.23 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.29 1qtd h PRO 86 Cb 0.54 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1qtd h PRO 86 CO -0.85 0.42 0.10 0.28 -0.23 0.00 0.00 178.00 177.72 1qtd h VAL 87 N 0.18 1.19 -0.47 1.56 2.07 -0.98 -1.99 116.25 117.80 1qtd h VAL 87 Ca 0.03 -0.59 0.09 0.00 0.82 0.00 0.00 66.70 67.05 1qtd h VAL 87 Cb 0.50 1.03 -0.08 0.00 -1.52 0.00 0.00 31.29 31.22 1qtd h VAL 87 CO 0.03 0.20 -0.04 0.22 0.02 0.00 0.00 177.57 178.01 1qtd h TYR 88 N 0.32 -0.10 -0.30 1.57 3.20 -0.19 -1.03 116.97 120.45 1qtd h TYR 88 Ca 0.10 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 1qtd h TYR 88 Cb 0.21 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 1qtd h TYR 88 CO -0.00 -0.14 0.17 -0.44 -1.64 0.00 0.00 178.16 176.11 1qtd h ASP 89 N 0.07 0.35 0.48 -2.11 3.32 -0.98 -2.72 116.42 114.83 1qtd h ASP 89 Ca 0.23 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1qtd h ASP 89 Cb 0.35 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1qtd h ASP 89 CO -0.42 0.28 0.00 -1.54 -1.72 0.00 0.00 179.24 175.84 1qtd n SER 90 N -4.46 0.00 -4.91 6.45 3.41 -0.39 -4.87 113.62 108.83 1qtd n SER 90 Ca 0.01 -0.21 -0.21 0.00 -0.26 0.00 0.00 58.87 58.21 1qtd n SER 90 Cb 0.09 -0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 63.76 1qtd n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1qtd s LEU 91 N -2.51 3.92 0.00 1.04 1.43 -1.03 -5.10 118.68 116.43 1qtd s LEU 91 Ca 0.29 -0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 53.09 1qtd s LEU 91 Cb 0.19 -2.55 0.10 0.00 0.03 0.00 0.00 46.19 43.97 1qtd s LEU 91 CO 0.43 -0.24 0.49 -0.90 0.23 0.00 0.00 176.35 176.36 1qtd n ASP 92 N -1.42 -0.60 0.08 2.29 5.68 -1.26 -4.81 116.55 116.51 1qtd n ASP 92 Ca -0.04 -1.01 -0.12 0.00 -0.50 0.00 0.00 54.79 53.12 1qtd n ASP 92 Cb 0.58 -0.41 -0.06 0.00 -1.14 0.00 0.00 41.12 40.09 1qtd n ASP 92 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qtd h ALA 93 N -2.08 0.35 -0.08 2.12 0.00 -1.96 -2.37 119.26 115.24 1qtd h ALA 93 Ca -0.17 -0.77 -0.08 0.00 0.00 0.00 0.00 54.91 53.89 1qtd h ALA 93 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1qtd h ALA 93 CO 0.12 0.92 -0.27 0.28 0.00 0.00 0.00 179.25 180.29 1qtd h VAL 94 N 0.13 1.42 -0.90 0.00 2.07 -1.94 -2.98 116.25 114.06 1qtd h VAL 94 Ca -0.08 -1.65 0.06 0.00 0.82 0.00 0.00 66.70 65.85 1qtd h VAL 94 Cb 1.67 2.28 -0.06 0.00 -1.52 0.00 0.00 31.29 33.66 1qtd h VAL 94 CO 0.16 0.47 0.58 0.03 0.02 0.00 0.00 177.57 178.84 1qtd h ARG 95 N -0.17 1.00 -0.57 1.57 3.08 -1.83 -0.01 114.38 117.45 1qtd h ARG 95 Ca -0.01 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.00 1qtd h ARG 95 Cb 0.91 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 1qtd h ARG 95 CO 0.06 0.66 0.36 0.00 -1.07 0.00 0.00 179.97 179.98 1qtd h ARG 96 N 1.03 0.69 -0.85 0.04 3.08 -1.43 -0.44 114.38 116.50 1qtd h ARG 96 Ca 0.38 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.48 1qtd h ARG 96 Cb 0.17 -0.16 -0.07 0.00 0.08 0.00 0.00 29.97 30.00 1qtd h ARG 96 CO -0.14 0.46 0.50 0.00 -1.07 0.00 0.00 179.97 179.72 1qtd h ALA 97 N 1.24 1.21 -0.55 0.04 0.00 -0.85 0.24 119.26 120.59 1qtd h ALA 97 Ca 0.22 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.21 1qtd h ALA 97 Cb -0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1qtd h ALA 97 CO -0.08 0.15 0.28 0.00 0.00 0.00 0.00 179.25 179.60 1qtd h ALA 98 N 1.45 0.71 0.20 0.00 0.00 -0.70 1.47 119.26 122.40 1qtd h ALA 98 Ca 0.40 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.35 1qtd h ALA 98 Cb 0.33 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1qtd h ALA 98 CO -0.23 -0.07 -0.29 1.25 0.00 0.00 0.00 179.25 179.91 1qtd h LEU 99 N 0.53 -0.79 -1.50 0.00 5.85 0.70 0.31 115.31 120.41 1qtd h LEU 99 Ca 0.25 0.08 0.11 0.00 0.84 0.00 0.00 57.88 59.16 1qtd h LEU 99 Cb 0.17 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 1qtd h LEU 99 CO -0.18 -0.39 0.48 0.40 -0.34 0.00 0.00 178.44 178.41 1qtd h ILE 100 N -0.55 0.89 -0.57 4.05 2.04 0.53 0.26 117.51 124.15 1qtd h ILE 100 Ca 0.01 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.59 1qtd h ILE 100 Cb 0.54 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1qtd h ILE 100 CO -0.11 0.10 -0.01 -1.13 0.00 0.00 0.00 178.15 176.99 1qtd h ASN 101 N 0.54 0.99 0.02 1.72 -0.73 0.33 -2.73 115.58 115.72 1qtd h ASN 101 Ca 0.34 -0.31 -0.00 0.00 1.87 0.00 0.00 56.30 58.20 1qtd h ASN 101 Cb 0.59 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.91 1qtd h ASN 101 CO -0.12 1.06 -0.01 0.24 -0.37 0.00 0.00 177.43 178.24 1qtd h MET 102 N 0.90 -0.03 -0.85 6.67 2.86 0.15 -2.14 114.93 122.49 1qtd h MET 102 Ca 0.16 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.88 1qtd h MET 102 Cb 0.56 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.17 1qtd h MET 102 CO 0.03 0.00 0.55 0.28 1.06 0.00 0.00 176.91 178.84 1qtd h VAL 103 N -0.05 1.00 -0.24 -2.22 2.07 -1.35 0.24 116.25 115.70 1qtd h VAL 103 Ca -0.00 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1qtd h VAL 103 Cb 0.04 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 1qtd h VAL 103 CO 0.00 0.16 0.11 0.15 0.02 0.00 0.00 177.57 178.01 1qtd h PHE 104 N 0.86 0.35 -0.23 1.57 3.57 -1.13 1.53 116.94 123.46 1qtd h PHE 104 Ca 0.38 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.76 1qtd h PHE 104 Cb 0.34 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 1qtd h PHE 104 CO -0.00 0.35 -0.24 0.37 -2.23 0.00 0.00 178.31 176.56 1qtd h GLN 105 N 0.24 0.57 0.00 1.11 4.15 -0.75 -3.38 115.11 117.05 1qtd h GLN 105 Ca 0.08 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 59.20 1qtd h GLN 105 Cb 0.14 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1qtd h GLN 105 CO -0.01 0.89 -0.00 0.00 -1.93 0.00 0.00 178.83 177.78 1qtd n MET 106 N -4.37 1.50 -0.64 1.69 0.00 0.79 -5.11 117.12 110.98 1qtd n MET 106 Ca -0.05 -2.44 0.00 0.00 0.00 0.00 0.00 57.70 55.21 1qtd n MET 106 Cb 0.43 -1.44 0.00 0.00 0.00 0.00 0.00 33.22 32.22 1qtd n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1qtd n GLY 107 N -1.32 -3.35 0.21 3.17 0.00 0.52 -3.00 105.19 101.42 1qtd n GLY 107 Ca 0.14 -1.10 -0.01 0.00 0.00 0.00 0.00 46.02 45.04 1qtd n GLY 107 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qtd h GLU 108 N 0.13 0.16 -0.12 1.61 5.08 -1.96 -0.87 114.58 118.62 1qtd h GLU 108 Ca 0.00 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1qtd h GLU 108 Cb 0.35 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 1qtd h GLU 108 CO 0.00 0.11 -0.17 1.79 -1.00 0.00 0.00 179.01 179.74 1qtd h THR 109 N 0.17 0.57 -0.35 1.13 1.35 -1.95 0.51 112.91 114.33 1qtd h THR 109 Ca 0.27 0.00 0.08 0.00 -0.55 0.00 0.00 66.41 66.21 1qtd h THR 109 Cb 0.40 0.57 -0.08 0.00 -1.73 0.00 0.00 68.15 67.31 1qtd h THR 109 CO -0.41 0.00 -0.17 1.23 -0.25 0.00 0.00 175.52 175.92 1qtd h GLY 110 N -0.21 0.09 0.84 5.82 0.00 -1.15 -2.71 103.07 105.74 1qtd h GLY 110 Ca 0.09 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 1qtd h GLY 110 CO -0.24 -0.18 -0.09 -2.08 0.00 0.00 0.00 176.54 173.95 1qtd h VAL 111 N -0.12 0.89 0.00 4.60 2.07 -0.81 -2.68 116.25 120.21 1qtd h VAL 111 Ca 0.18 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1qtd h VAL 111 Cb 0.38 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1qtd h VAL 111 CO -0.42 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.25 1qtd n ALA 112 N -2.29 1.53 0.18 1.67 0.00 0.18 -1.97 120.51 119.81 1qtd n ALA 112 Ca -0.09 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.46 1qtd n ALA 112 Cb 0.18 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 18.65 1qtd n ALA 112 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1qtd h GLY 113 N 0.13 0.00 -2.87 0.00 0.00 -1.30 -3.37 103.07 95.66 1qtd h GLY 113 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qtd h GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.23 1qtd n PHE 114 N -2.60 0.00 -0.04 5.60 3.01 -0.83 -4.47 117.46 118.13 1qtd n PHE 114 Ca 0.01 -0.10 0.01 0.00 1.01 0.00 0.00 57.45 58.38 1qtd n PHE 114 Cb 0.53 -0.20 0.02 0.00 -0.01 0.00 0.00 39.48 39.83 1qtd n PHE 114 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1qtd n THR 115 N 1.40 -0.05 0.00 4.37 -1.04 -1.26 0.24 114.28 117.94 1qtd n THR 115 Ca 0.00 0.28 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 1qtd n THR 115 Cb 0.07 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 1qtd n THR 115 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1qtd n ASN 116 N -4.16 0.00 0.00 8.00 5.03 -1.26 -3.72 115.26 119.15 1qtd n ASN 116 Ca 0.02 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.47 1qtd n ASN 116 Cb 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.83 1qtd n ASN 116 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1qtd n SER 117 N 0.00 0.00 0.00 6.41 7.64 0.25 -1.24 113.62 126.68 1qtd n SER 117 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1qtd n SER 117 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1qtd n SER 117 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1qtd n LEU 118 N -0.48 0.00 0.05 -3.43 4.77 0.67 -1.37 117.00 117.20 1qtd n LEU 118 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1qtd n LEU 118 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1qtd n LEU 118 CO 0.00 0.00 -0.21 -0.09 -1.33 0.00 0.00 177.39 175.76 1qtd h ARG 119 N 0.00 0.13 -0.88 3.23 1.12 -1.29 -2.99 114.38 113.70 1qtd h ARG 119 Ca 0.00 -0.22 0.11 0.00 -1.11 0.00 0.00 59.98 58.76 1qtd h ARG 119 Cb 0.00 0.08 -0.13 0.00 -0.01 0.00 0.00 29.97 29.92 1qtd h ARG 119 CO 0.00 0.97 -0.42 -1.33 -3.11 0.00 0.00 179.97 176.08 1qtd n MET 120 N -3.35 -0.28 0.00 0.20 0.00 -0.47 0.24 117.12 113.45 1qtd n MET 120 Ca -0.11 1.34 0.00 0.00 0.00 0.00 0.00 57.70 58.93 1qtd n MET 120 Cb 1.01 -1.99 0.00 0.00 0.00 0.00 0.00 33.22 32.25 1qtd n MET 120 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 1qtd n LEU 121 N -5.21 0.00 -0.28 4.03 7.94 -0.93 0.12 117.00 122.68 1qtd n LEU 121 Ca 0.06 0.50 0.30 0.00 -1.11 0.00 0.00 56.01 55.75 1qtd n LEU 121 Cb 0.30 -0.17 0.67 0.00 0.53 0.00 0.00 43.42 44.75 1qtd n LEU 121 CO -0.13 -0.17 1.28 -0.61 -1.11 0.00 0.00 177.39 176.65 1qtd h GLN 122 N 0.00 0.11 0.00 1.96 4.15 0.16 0.44 115.11 121.93 1qtd h GLN 122 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1qtd h GLN 122 Cb 0.00 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.66 1qtd h GLN 122 CO 0.00 0.07 0.00 0.94 -1.93 0.00 0.00 178.83 177.91 1qtd n GLN 123 N -4.33 0.13 -2.93 1.69 -0.06 0.65 -4.85 117.38 107.68 1qtd n GLN 123 Ca 0.23 0.19 -0.15 0.00 -2.00 0.00 0.00 57.00 55.27 1qtd n GLN 123 Cb 1.05 -1.50 0.03 0.00 -4.06 0.00 0.00 30.24 25.77 1qtd n GLN 123 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1qtd n LYS 124 N -1.36 -3.98 -0.06 3.69 4.76 0.15 -4.98 118.16 116.38 1qtd n LYS 124 Ca 0.06 0.57 -0.06 0.00 -2.87 0.00 0.00 58.31 56.01 1qtd n LYS 124 Cb 0.13 -4.75 -0.05 0.00 -1.84 0.00 0.00 35.03 28.52 1qtd n LYS 124 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qtd h ARG 125 N -1.25 0.00 0.00 1.97 3.08 -1.51 -3.50 114.38 113.17 1qtd h ARG 125 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1qtd h ARG 125 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1qtd h ARG 125 CO 0.37 0.37 0.00 0.91 -1.07 0.00 0.00 179.97 180.54 1qtd n TRP 126 N -4.70 -0.20 0.00 3.04 5.03 -1.26 -4.14 117.44 115.20 1qtd n TRP 126 Ca -0.05 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.48 1qtd n TRP 126 Cb 0.20 0.05 0.00 0.00 -1.03 0.00 0.00 31.31 30.52 1qtd n TRP 126 CO 0.00 0.00 0.00 -0.25 -0.03 0.00 0.00 177.69 177.41 1qtd n ASP 127 N -3.75 0.00 -0.24 -0.99 9.92 -1.26 -0.15 116.55 120.08 1qtd n ASP 127 Ca 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.19 1qtd n ASP 127 Cb 0.00 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.52 1qtd n ASP 127 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1qtd h GLU 128 N 0.00 1.07 -0.39 -1.24 4.11 -2.01 0.55 114.58 116.68 1qtd h GLU 128 Ca 0.00 -0.25 -0.13 0.00 0.07 0.00 0.00 59.36 59.05 1qtd h GLU 128 Cb 0.00 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1qtd h GLU 128 CO 0.00 0.95 -0.26 2.35 0.07 0.00 0.00 179.01 182.12 1qtd h TRP 129 N 1.00 0.94 -0.03 2.06 7.01 -0.80 -2.57 115.95 123.57 1qtd h TRP 129 Ca 0.21 -0.23 -0.00 0.00 2.11 0.00 0.00 58.89 60.98 1qtd h TRP 129 Cb 0.35 -0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 27.19 1qtd h TRP 129 CO 0.03 0.99 0.02 0.00 -2.79 0.00 0.00 178.44 176.68 1qtd h ALA 130 N 1.00 0.04 -0.68 2.65 0.00 -1.38 -2.21 119.26 118.68 1qtd h ALA 130 Ca 0.09 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1qtd h ALA 130 Cb 0.79 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 1qtd h ALA 130 CO 0.07 -0.42 0.40 0.28 0.00 0.00 0.00 179.25 179.57 1qtd h VAL 131 N -0.05 1.01 -0.55 0.00 2.07 -0.91 -1.23 116.25 116.58 1qtd h VAL 131 Ca 0.01 -0.26 0.11 0.00 0.82 0.00 0.00 66.70 67.38 1qtd h VAL 131 Cb 0.09 0.20 -0.11 0.00 -1.52 0.00 0.00 31.29 29.95 1qtd h VAL 131 CO -0.00 0.14 -0.20 -1.13 0.02 0.00 0.00 177.57 176.39 1qtd h ASN 132 N 0.75 -0.73 -0.98 0.57 -0.00 -1.09 -0.53 115.58 113.57 1qtd h ASN 132 Ca 0.29 0.19 0.10 0.00 -0.00 0.00 0.00 56.30 56.88 1qtd h ASN 132 Cb 0.13 0.42 -0.08 0.00 -0.00 0.00 0.00 38.32 38.80 1qtd h ASN 132 CO -0.16 -0.24 0.63 -0.07 -0.00 0.00 0.00 177.43 177.60 1qtd h LEU 133 N -0.07 0.94 0.00 0.34 3.38 -0.64 0.76 115.31 120.02 1qtd h LEU 133 Ca 0.26 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1qtd h LEU 133 Cb 0.47 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1qtd h LEU 133 CO -0.61 0.55 0.00 0.00 0.09 0.00 0.00 178.44 178.47 1qtd n ALA 134 N -2.37 1.50 -2.01 1.53 0.00 -0.23 -2.48 120.51 116.45 1qtd n ALA 134 Ca 0.17 -0.04 -0.34 0.00 0.00 0.00 0.00 53.44 53.24 1qtd n ALA 134 Cb 0.29 -1.14 0.03 0.00 0.00 0.00 0.00 19.45 18.63 1qtd n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1qtd n LYS 135 N -1.37 3.03 -4.07 0.00 5.02 0.26 -4.75 118.16 116.28 1qtd n LYS 135 Ca 0.03 -3.84 -0.08 0.00 -2.02 0.00 0.00 58.31 52.40 1qtd n LYS 135 Cb 0.08 -2.27 -0.10 0.00 -0.02 0.00 0.00 35.03 32.72 1qtd n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1qtd s SER 136 N -2.16 0.50 0.19 4.39 1.04 -1.04 -5.01 113.70 111.60 1qtd s SER 136 Ca 0.53 -0.86 -0.12 0.00 0.48 0.00 0.00 55.95 55.98 1qtd s SER 136 Cb 0.44 0.16 0.14 0.00 0.10 0.00 0.00 66.02 66.86 1qtd s SER 136 CO -0.25 -0.50 1.81 -0.09 0.98 0.00 0.00 173.24 175.20 1qtd h ARG 137 N 3.57 0.60 -0.60 4.02 2.43 -1.93 -2.12 114.38 120.34 1qtd h ARG 137 Ca -0.34 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 58.89 1qtd h ARG 137 Cb 1.16 -0.14 -0.11 0.00 -0.42 0.00 0.00 29.97 30.47 1qtd h ARG 137 CO 0.59 0.40 -0.43 2.35 -1.51 0.00 0.00 179.97 181.36 1qtd h TRP 138 N 0.62 -1.28 -0.57 2.20 7.01 -1.95 0.16 115.95 122.14 1qtd h TRP 138 Ca 0.23 0.08 0.05 0.00 2.11 0.00 0.00 58.89 61.37 1qtd h TRP 138 Cb 0.08 0.64 -0.05 0.00 -2.10 0.00 0.00 29.16 27.73 1qtd h TRP 138 CO -0.08 -0.42 0.30 -0.92 -2.79 0.00 0.00 178.44 174.54 1qtd h TYR 139 N -0.21 0.56 0.00 2.65 3.20 -1.63 -2.22 116.97 119.31 1qtd h TYR 139 Ca 0.19 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 1qtd h TYR 139 Cb 0.56 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1qtd h TYR 139 CO -0.72 0.27 -0.25 -0.91 -1.64 0.00 0.00 178.16 174.91 1qtd h ASN 140 N 0.58 0.00 0.97 -2.11 4.21 -0.60 -0.81 115.58 117.82 1qtd h ASN 140 Ca 0.25 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.69 1qtd h ASN 140 Cb 0.14 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.33 1qtd h ASN 140 CO -0.16 0.25 -1.08 1.56 -1.29 0.00 0.00 177.43 176.72 1qtd h GLN 141 N 0.00 0.00 -1.78 0.81 1.08 -0.15 -3.41 115.11 111.66 1qtd h GLN 141 Ca -0.00 0.00 -0.52 0.00 -1.45 0.00 0.00 58.65 56.68 1qtd h GLN 141 Cb 0.54 0.00 -0.35 0.00 -0.05 0.00 0.00 27.48 27.62 1qtd h GLN 141 CO 0.03 0.13 -1.01 0.25 -0.95 0.00 0.00 178.83 177.28 1qtd n THR 142 N -2.81 -0.66 0.04 -0.54 -2.24 -0.97 -5.01 114.28 102.09 1qtd n THR 142 Ca -0.03 -3.59 -0.13 0.00 -2.27 0.00 0.00 64.05 58.03 1qtd n THR 142 Cb 0.67 -1.46 -0.08 0.00 -2.10 0.00 0.00 70.33 67.35 1qtd n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1qtd h PRO 143 N 4.19 -0.05 -0.41 -0.78 0.13 -1.39 0.22 132.00 133.91 1qtd h PRO 143 Ca 0.06 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.24 1qtd h PRO 143 Cb 0.91 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 31.98 1qtd h PRO 143 CO 0.43 0.13 -0.44 -0.91 -0.23 0.00 0.00 178.00 176.98 1qtd h ASN 144 N -0.23 -1.50 -0.47 1.44 2.35 -1.95 0.23 115.58 115.44 1qtd h ASN 144 Ca -0.01 0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 1qtd h ASN 144 Cb 0.21 0.62 -0.02 0.00 0.05 0.00 0.00 38.32 39.18 1qtd h ASN 144 CO 0.01 -0.29 0.27 -0.09 -1.65 0.00 0.00 177.43 175.69 1qtd h ARG 145 N -0.25 0.65 -0.87 0.81 2.43 -1.95 -2.35 114.38 112.86 1qtd h ARG 145 Ca 0.07 -0.07 0.13 0.00 -0.81 0.00 0.00 59.98 59.30 1qtd h ARG 145 Cb 0.43 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.78 1qtd h ARG 145 CO -0.52 0.50 0.56 0.00 -1.51 0.00 0.00 179.97 179.00 1qtd h ALA 146 N 1.12 1.80 -0.32 2.80 0.00 0.78 -1.08 119.26 124.35 1qtd h ALA 146 Ca 0.17 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1qtd h ALA 146 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1qtd h ALA 146 CO -0.03 -0.02 -0.12 0.87 0.00 0.00 0.00 179.25 179.95 1qtd h LYS 147 N 0.72 0.65 -0.52 0.00 1.57 -0.30 0.21 116.57 118.90 1qtd h LYS 147 Ca 0.43 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1qtd h LYS 147 Cb 0.63 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1qtd h LYS 147 CO -0.19 0.85 0.30 -0.09 -0.57 0.00 0.00 179.45 179.75 1qtd h ARG 148 N 0.42 0.70 -0.08 3.15 2.43 -0.72 0.32 114.38 120.59 1qtd h ARG 148 Ca 0.08 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.01 1qtd h ARG 148 Cb 0.63 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1qtd h ARG 148 CO 0.04 0.50 -0.63 0.28 -1.51 0.00 0.00 179.97 178.65 1qtd h VAL 149 N 0.71 1.35 -0.36 0.20 2.07 -0.93 -2.29 116.25 117.01 1qtd h VAL 149 Ca 0.19 -1.94 -0.11 0.00 0.82 0.00 0.00 66.70 65.66 1qtd h VAL 149 Cb -0.02 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 1qtd h VAL 149 CO -0.03 0.59 -0.22 0.40 0.02 0.00 0.00 177.57 178.32 1qtd h ILE 150 N 0.18 1.27 -0.27 4.57 2.04 -0.18 -2.57 117.51 122.54 1qtd h ILE 150 Ca -0.06 -1.31 -0.00 0.00 1.00 0.00 0.00 64.86 64.50 1qtd h ILE 150 Cb 1.28 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1qtd h ILE 150 CO 0.13 0.43 0.17 0.74 0.00 0.00 0.00 178.15 179.62 1qtd h THR 151 N 0.61 1.09 -0.56 -0.27 2.02 -0.37 -1.67 112.91 113.76 1qtd h THR 151 Ca 0.09 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.10 1qtd h THR 151 Cb 0.71 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 1qtd h THR 151 CO 0.05 0.09 0.33 0.74 0.37 0.00 0.00 175.52 177.10 1qtd h THR 152 N 0.36 1.04 0.58 3.16 2.02 -1.28 -1.36 112.91 117.41 1qtd h THR 152 Ca 0.10 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 1qtd h THR 152 Cb -0.00 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 1qtd h THR 152 CO -0.02 0.12 -0.36 -0.26 0.37 0.00 0.00 175.52 175.37 1qtd h PHE 153 N 0.64 -0.96 -0.06 3.16 -1.00 -1.25 0.59 116.94 118.06 1qtd h PHE 153 Ca 0.23 -0.01 0.03 0.00 2.81 0.00 0.00 57.97 61.03 1qtd h PHE 153 Cb 0.06 0.34 -0.06 0.00 3.61 0.00 0.00 35.95 39.90 1qtd h PHE 153 CO -0.07 -0.55 -0.47 -0.09 -1.61 0.00 0.00 178.31 175.52 1qtd h ARG 154 N -0.89 -0.56 0.00 1.51 2.43 -1.18 -3.17 114.38 112.52 1qtd h ARG 154 Ca -0.07 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1qtd h ARG 154 Cb 0.73 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 1qtd h ARG 154 CO 0.06 -0.37 0.00 1.79 -1.51 0.00 0.00 179.97 179.94 1qtd h THR 155 N -0.58 0.00 -1.04 0.20 1.35 -1.17 -3.47 112.91 108.19 1qtd h THR 155 Ca 0.05 -0.65 -0.38 0.00 -0.55 0.00 0.00 66.41 64.87 1qtd h THR 155 Cb 0.67 1.64 -0.15 0.00 -1.73 0.00 0.00 68.15 68.58 1qtd h THR 155 CO -0.38 0.00 -0.35 0.61 -0.25 0.00 0.00 175.52 175.16 1qtd n GLY 156 N 1.10 1.77 3.30 5.82 0.00 0.21 -4.94 105.19 112.45 1qtd n GLY 156 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 1qtd n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qtd s THR 157 N -2.58 1.53 -0.94 2.61 -4.23 -1.22 -4.70 115.64 106.11 1qtd s THR 157 Ca 0.00 -2.09 0.08 0.00 -1.18 0.00 0.00 61.69 58.51 1qtd s THR 157 Cb 0.00 -1.91 0.41 0.00 1.34 0.00 0.00 72.50 72.34 1qtd s THR 157 CO 0.00 -0.60 1.18 0.79 -0.54 0.00 0.00 174.62 175.46 1qtd n TRP 158 N -0.17 0.96 -0.17 3.99 7.02 -1.26 -4.44 117.44 123.37 1qtd n TRP 158 Ca -0.10 -0.35 -0.09 0.00 -1.02 0.00 0.00 57.50 55.94 1qtd n TRP 158 Cb 0.60 -0.24 -0.04 0.00 -2.42 0.00 0.00 31.31 29.20 1qtd n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1qtd h ASP 159 N 2.13 -1.46 -0.23 -0.99 3.32 -1.97 0.16 116.42 117.38 1qtd h ASP 159 Ca 0.00 0.23 0.07 0.00 0.02 0.00 0.00 57.03 57.35 1qtd h ASP 159 Cb 1.10 0.65 -0.01 0.00 0.22 0.00 0.00 39.33 41.29 1qtd h ASP 159 CO 0.20 -0.35 0.58 0.00 -1.72 0.00 0.00 179.24 177.95 1qtd h ALA 160 N 0.52 1.86 -0.21 3.45 0.00 -1.88 -0.27 119.26 122.73 1qtd h ALA 160 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1qtd h ALA 160 Cb 0.57 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1qtd h ALA 160 CO -0.63 -0.70 0.00 0.66 0.00 0.00 0.00 179.25 178.58 1qtd n TYR 161 N -3.09 0.25 -0.77 0.00 4.02 0.56 -4.96 117.16 113.17 1qtd n TYR 161 Ca 0.04 -0.13 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 1qtd n TYR 161 Cb 0.69 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.01 1qtd n TYR 161 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02