#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qtf s GLU 2 N 0.00 0.92 -0.39 1.97 0.41 -1.26 -5.03 118.70 115.33 1qtf s GLU 2 Ca 0.00 -0.11 -0.01 0.00 -0.41 0.00 0.00 54.97 54.44 1qtf s GLU 2 Cb 0.00 -0.95 0.10 0.00 -1.78 0.00 0.00 34.13 31.50 1qtf s GLU 2 CO 0.00 -0.11 0.15 0.71 -0.49 0.00 0.00 175.26 175.52 1qtf s TYR 3 N 1.08 3.62 0.81 1.61 2.02 -1.26 -5.09 117.35 120.14 1qtf s TYR 3 Ca -0.08 -2.55 -0.14 0.00 -0.37 0.00 0.00 57.07 53.92 1qtf s TYR 3 Cb -0.14 -3.10 0.02 0.00 -0.40 0.00 0.00 41.96 38.34 1qtf s TYR 3 CO -0.01 -0.96 0.73 -1.13 -1.57 0.00 0.00 175.55 172.61 1qtf n SER 4 N 4.50 -0.66 0.30 2.29 3.41 -1.26 -4.67 113.62 117.53 1qtf n SER 4 Ca -0.01 0.52 0.20 0.00 -0.26 0.00 0.00 58.87 59.32 1qtf n SER 4 Cb 0.42 -1.32 1.03 0.00 -0.26 0.00 0.00 64.21 64.08 1qtf n SER 4 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qtf h ALA 5 N -0.87 1.00 0.01 7.33 0.00 -1.99 -0.93 119.26 123.81 1qtf h ALA 5 Ca -0.45 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1qtf h ALA 5 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1qtf h ALA 5 CO 0.41 0.00 -0.08 1.49 0.00 0.00 0.00 179.25 181.07 1qtf h GLU 6 N 0.00 0.02 -0.97 0.00 4.57 -2.00 -2.90 114.58 113.29 1qtf h GLU 6 Ca 0.00 -0.03 0.18 0.00 -1.18 0.00 0.00 59.36 58.33 1qtf h GLU 6 Cb 0.10 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.61 1qtf h GLU 6 CO 0.00 1.01 0.61 1.49 -1.18 0.00 0.00 179.01 180.94 1qtf h GLU 7 N -0.96 0.70 -0.29 1.92 4.81 -1.69 0.44 114.58 119.50 1qtf h GLU 7 Ca -0.02 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 1qtf h GLU 7 Cb 1.04 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1qtf h GLU 7 CO 0.00 0.46 -0.10 0.82 -0.73 0.00 0.00 179.01 179.47 1qtf h ILE 8 N 0.72 1.29 -0.74 2.32 2.04 -1.29 -1.66 117.51 120.18 1qtf h ILE 8 Ca 0.53 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1qtf h ILE 8 Cb 0.88 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 38.36 1qtf h ILE 8 CO -0.30 0.37 0.39 0.03 0.00 0.00 0.00 178.15 178.64 1qtf h ARG 9 N 0.34 1.04 -0.15 2.37 3.08 -0.74 -2.50 114.38 117.82 1qtf h ARG 9 Ca 0.07 -0.12 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 1qtf h ARG 9 Cb 0.59 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1qtf h ARG 9 CO 0.03 0.77 -0.43 0.87 -1.07 0.00 0.00 179.97 180.15 1qtf h LYS 10 N 1.04 0.56 -0.28 0.04 1.57 -1.18 -2.46 116.57 115.86 1qtf h LYS 10 Ca 0.26 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1qtf h LYS 10 Cb 0.05 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1qtf h LYS 10 CO -0.04 1.02 0.17 -0.07 -0.57 0.00 0.00 179.45 179.96 1qtf h LEU 11 N 0.19 0.33 -0.71 2.94 3.38 -1.20 0.39 115.31 120.63 1qtf h LEU 11 Ca -0.01 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1qtf h LEU 11 Cb 1.05 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1qtf h LEU 11 CO 0.09 0.26 -0.56 0.11 0.09 0.00 0.00 178.44 178.43 1qtf h LYS 12 N 0.38 0.24 -0.22 1.13 1.57 -1.38 -3.01 116.57 115.30 1qtf h LYS 12 Ca 0.10 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1qtf h LYS 12 Cb -0.01 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1qtf h LYS 12 CO -0.02 0.74 -0.09 1.96 -0.57 0.00 0.00 179.45 181.47 1qtf h GLN 13 N 0.19 0.45 -0.76 3.15 4.20 -0.06 -3.11 115.11 119.16 1qtf h GLN 13 Ca -0.00 -0.19 0.20 0.00 0.06 0.00 0.00 58.65 58.72 1qtf h GLN 13 Cb 1.05 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.77 1qtf h GLN 13 CO 0.09 0.72 0.53 -0.22 -0.67 0.00 0.00 178.83 179.28 1qtf h LYS 14 N 0.16 0.12 -0.25 1.46 3.64 -0.28 -2.37 116.57 119.04 1qtf h LYS 14 Ca 0.05 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1qtf h LYS 14 Cb 0.58 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1qtf h LYS 14 CO 0.03 0.08 0.00 1.19 -2.27 0.00 0.00 179.45 178.48 1qtf n PHE 15 N -4.37 0.79 0.58 1.91 3.72 -1.17 -4.51 117.46 114.41 1qtf n PHE 15 Ca 0.15 -0.83 0.08 0.00 -0.05 0.00 0.00 57.45 56.80 1qtf n PHE 15 Cb 0.75 -0.26 0.35 0.00 -0.94 0.00 0.00 39.48 39.38 1qtf n PHE 15 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1qtf n GLU 16 N -0.43 0.04 -3.80 -1.08 0.28 -0.89 -4.68 120.64 110.07 1qtf n GLU 16 Ca 0.19 0.21 -0.12 0.00 -0.16 0.00 0.00 57.16 57.28 1qtf n GLU 16 Cb 0.80 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 32.07 1qtf n GLU 16 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1qtf s VAL 17 N -2.93 0.06 -0.29 3.84 0.11 -1.26 -5.11 120.40 114.81 1qtf s VAL 17 Ca 0.09 -0.47 -0.41 0.00 -2.93 0.00 0.00 61.98 58.26 1qtf s VAL 17 Cb 0.10 -0.51 -0.16 0.00 -1.53 0.00 0.00 36.38 34.29 1qtf s VAL 17 CO 0.28 -0.26 1.70 -0.81 -3.33 0.00 0.00 175.10 172.69 1qtf n PRO 18 N 1.64 0.98 -1.60 1.54 -0.04 -1.26 -4.84 135.00 131.41 1qtf n PRO 18 Ca -0.20 0.36 -0.42 0.00 -0.04 0.00 0.00 63.50 63.19 1qtf n PRO 18 Cb 0.56 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 1qtf n PRO 18 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1qtf n PRO 19 N 5.03 1.38 0.06 0.54 -0.02 -1.26 -4.92 135.00 135.80 1qtf n PRO 19 Ca 0.27 0.49 -0.20 0.00 -2.02 0.00 0.00 63.50 62.03 1qtf n PRO 19 Cb 0.10 -1.98 -0.15 0.00 -0.02 0.00 0.00 33.50 31.46 1qtf n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qtf h THR 20 N 1.71 0.98 -2.64 3.45 1.03 -1.94 -3.44 112.91 112.06 1qtf h THR 20 Ca -0.43 -2.60 -0.55 0.00 -0.01 0.00 0.00 66.41 62.82 1qtf h THR 20 Cb 1.34 2.73 -0.01 0.00 -1.07 0.00 0.00 68.15 71.13 1qtf h THR 20 CO 0.58 0.84 1.10 -0.62 -0.01 0.00 0.00 175.52 177.41 1qtf s ASP 21 N -7.13 6.58 0.06 0.00 -1.08 -1.26 -4.88 116.67 108.96 1qtf s ASP 21 Ca -0.14 2.07 0.22 0.00 -0.52 0.00 0.00 52.55 54.18 1qtf s ASP 21 Cb 0.06 -2.53 0.90 0.00 -1.46 0.00 0.00 42.92 39.89 1qtf s ASP 21 CO 0.85 -1.02 1.69 0.29 0.52 0.00 0.00 175.17 177.50 1qtf n LYS 22 N 7.27 0.06 -0.22 4.34 4.76 -1.26 -2.88 118.16 130.24 1qtf n LYS 22 Ca 0.18 0.19 0.03 0.00 -2.87 0.00 0.00 58.31 55.84 1qtf n LYS 22 Cb 0.43 -1.59 0.13 0.00 -1.84 0.00 0.00 35.03 32.16 1qtf n LYS 22 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1qtf n GLU 23 N -1.70 1.98 0.00 1.97 2.13 -1.26 -3.24 120.64 120.52 1qtf n GLU 23 Ca 0.05 -1.01 0.00 0.00 0.66 0.00 0.00 57.16 56.85 1qtf n GLU 23 Cb 0.27 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.49 1qtf n GLU 23 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1qtf n LEU 24 N 0.24 0.00 -3.72 4.31 4.32 -1.14 -4.81 117.00 116.20 1qtf n LEU 24 Ca 0.09 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.95 1qtf n LEU 24 Cb 0.40 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.11 1qtf n LEU 24 CO 0.09 0.00 0.12 -0.47 -1.22 0.00 0.00 177.39 175.91 1qtf s TYR 25 N -0.74 -0.43 0.00 -1.77 5.04 -1.14 -1.03 117.35 117.29 1qtf s TYR 25 Ca 0.00 0.98 0.00 0.00 -2.44 0.00 0.00 57.07 55.61 1qtf s TYR 25 Cb 0.00 0.17 0.00 0.00 0.35 0.00 0.00 41.96 42.48 1qtf s TYR 25 CO 0.00 -0.30 0.00 -2.37 -1.34 0.00 0.00 175.55 171.54 1qtf n THR 26 N 2.35 0.00 -2.37 4.34 5.66 -1.02 -3.99 114.28 119.25 1qtf n THR 26 Ca -0.16 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.43 1qtf n THR 26 Cb 0.57 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.31 1qtf n THR 26 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 1qtf s HIS 27 N -1.32 3.41 -0.46 1.09 2.46 -1.26 -1.37 115.29 117.85 1qtf s HIS 27 Ca 0.00 1.37 -0.16 0.00 0.47 0.00 0.00 55.06 56.74 1qtf s HIS 27 Cb 0.00 -3.45 0.06 0.00 -0.13 0.00 0.00 32.58 29.06 1qtf s HIS 27 CO 0.00 -1.31 0.39 0.42 -2.47 0.00 0.00 174.74 171.76 1qtf s ILE 28 N 0.23 5.22 -0.06 0.89 -1.09 -0.57 -4.92 121.20 120.90 1qtf s ILE 28 Ca 0.55 -0.92 -0.19 0.00 -2.23 0.00 0.00 60.65 57.86 1qtf s ILE 28 Cb -0.32 -4.09 -0.15 0.00 -1.58 0.00 0.00 42.46 36.32 1qtf s ILE 28 CO 0.35 -0.52 0.76 0.71 -1.23 0.00 0.00 174.94 175.01 1qtf h THR 29 N 5.73 0.80 -1.97 2.92 1.35 -1.94 -3.39 112.91 116.42 1qtf h THR 29 Ca -0.28 -1.19 -0.76 0.00 -0.55 0.00 0.00 66.41 63.63 1qtf h THR 29 Cb 1.11 1.38 -0.18 0.00 -1.73 0.00 0.00 68.15 68.73 1qtf h THR 29 CO 0.84 0.22 1.55 -0.90 -0.25 0.00 0.00 175.52 176.99 1qtf n ASP 30 N -4.89 5.29 -0.43 5.36 5.75 -1.26 -4.77 116.55 121.59 1qtf n ASP 30 Ca -0.07 -3.08 0.08 0.00 -0.01 0.00 0.00 54.79 51.71 1qtf n ASP 30 Cb 0.26 -1.49 0.32 0.00 -1.03 0.00 0.00 41.12 39.17 1qtf n ASP 30 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 1qtf n ASN 31 N 4.28 1.28 -3.89 -1.12 6.94 -1.26 -4.54 115.26 116.95 1qtf n ASN 31 Ca 0.36 -1.76 -0.42 0.00 -0.02 0.00 0.00 54.58 52.74 1qtf n ASN 31 Cb 0.39 -0.11 0.01 0.00 -2.36 0.00 0.00 39.78 37.71 1qtf n ASN 31 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1qtf n ALA 32 N 0.11 5.46 -3.71 -2.53 0.00 -1.26 -2.27 120.51 116.31 1qtf n ALA 32 Ca 0.13 -4.73 -0.06 0.00 0.00 0.00 0.00 53.44 48.79 1qtf n ALA 32 Cb 0.25 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 17.34 1qtf n ALA 32 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1qtf s ARG 33 N -3.08 1.25 0.24 0.00 1.70 -1.26 -4.96 118.95 112.84 1qtf s ARG 33 Ca 0.34 -0.65 -0.30 0.00 -0.47 0.00 0.00 55.73 54.65 1qtf s ARG 33 Cb 0.09 0.46 -0.09 0.00 -0.57 0.00 0.00 34.95 34.84 1qtf s ARG 33 CO 0.04 -0.57 0.95 -1.12 -1.08 0.00 0.00 175.30 173.52 1qtf s SER 34 N -2.85 7.63 -0.04 -2.89 0.01 -1.26 -1.16 113.70 113.14 1qtf s SER 34 Ca 0.10 1.96 0.19 0.00 1.31 0.00 0.00 55.95 59.50 1qtf s SER 34 Cb -0.02 -2.61 0.60 0.00 0.21 0.00 0.00 66.02 64.20 1qtf s SER 34 CO 0.00 0.14 1.51 -0.81 0.41 0.00 0.00 173.24 174.49 1qtf n PRO 35 N 1.53 3.08 0.22 12.44 -0.04 -1.26 -4.93 135.00 146.05 1qtf n PRO 35 Ca -0.02 -2.63 0.10 0.00 -0.04 0.00 0.00 63.50 60.91 1qtf n PRO 35 Cb 0.47 -1.62 0.66 0.00 -0.04 0.00 0.00 33.50 32.97 1qtf n PRO 35 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1qtf h TYR 36 N 3.70 0.00 0.00 0.54 0.05 -1.36 -2.35 116.97 117.54 1qtf h TYR 36 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1qtf h TYR 36 Cb 1.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.84 1qtf h TYR 36 CO 0.53 0.00 0.00 0.27 -1.05 0.00 0.00 178.16 177.91 1qtf n ASN 37 N -4.47 0.24 0.18 3.88 2.04 -0.41 -3.12 115.26 113.60 1qtf n ASN 37 Ca -0.01 0.53 0.03 0.00 -0.44 0.00 0.00 54.58 54.69 1qtf n ASN 37 Cb 0.17 -0.59 0.36 0.00 -2.53 0.00 0.00 39.78 37.18 1qtf n ASN 37 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1qtf h SER 38 N 0.00 0.00 -3.20 0.53 0.02 -1.69 -3.34 113.55 105.87 1qtf h SER 38 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 1qtf h SER 38 Cb 0.50 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 1qtf h SER 38 CO 0.00 0.39 -0.11 -0.69 -1.14 0.00 0.00 176.83 175.28 1qtf s VAL 39 N -4.08 4.88 0.23 2.27 1.01 -1.18 -0.51 120.40 123.01 1qtf s VAL 39 Ca -0.02 0.93 -0.07 0.00 0.00 0.00 0.00 61.98 62.82 1qtf s VAL 39 Cb 0.14 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.77 1qtf s VAL 39 CO 0.72 0.43 0.44 0.61 0.00 0.00 0.00 175.10 177.30 1qtf n GLY 40 N 1.36 1.59 3.80 4.51 0.00 -0.60 -2.29 105.19 113.56 1qtf n GLY 40 Ca -0.09 -1.22 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 1qtf n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qtf s THR 41 N -2.50 5.30 -0.46 2.61 -4.23 -0.96 -1.46 115.64 113.94 1qtf s THR 41 Ca 0.11 0.51 -0.14 0.00 -1.18 0.00 0.00 61.69 60.99 1qtf s THR 41 Cb -0.03 -3.58 0.07 0.00 1.34 0.00 0.00 72.50 70.31 1qtf s THR 41 CO 0.08 0.50 0.36 -0.69 -0.54 0.00 0.00 174.62 174.33 1qtf s VAL 42 N -0.34 5.03 -0.41 2.29 1.01 -0.09 -1.47 120.40 126.41 1qtf s VAL 42 Ca 0.17 -1.11 -0.17 0.00 0.00 0.00 0.00 61.98 60.88 1qtf s VAL 42 Cb -0.14 -4.00 0.02 0.00 0.00 0.00 0.00 36.38 32.26 1qtf s VAL 42 CO 0.06 -0.55 0.42 0.12 0.00 0.00 0.00 175.10 175.15 1qtf s PHE 43 N 1.60 3.18 -0.94 5.22 5.36 0.49 0.22 117.98 133.10 1qtf s PHE 43 Ca 0.04 -0.36 -0.17 0.00 -0.96 0.00 0.00 56.93 55.49 1qtf s PHE 43 Cb -0.24 -2.84 0.16 0.00 -0.34 0.00 0.00 43.02 39.76 1qtf s PHE 43 CO 0.06 -0.66 1.07 0.08 -1.46 0.00 0.00 175.22 174.31 1qtf s VAL 44 N 2.08 5.04 -0.07 3.12 1.01 0.12 -1.73 120.40 129.98 1qtf s VAL 44 Ca 0.11 -2.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.05 1qtf s VAL 44 Cb -0.17 -4.71 -0.02 0.00 0.00 0.00 0.00 36.38 31.48 1qtf s VAL 44 CO 0.13 -1.39 0.24 1.17 0.00 0.00 0.00 175.10 175.25 1qtf n LYS 45 N 5.63 0.00 -1.31 2.72 4.81 0.93 -1.28 118.16 129.66 1qtf n LYS 45 Ca 0.23 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.61 1qtf n LYS 45 Cb 0.47 -0.15 -0.02 0.00 0.02 0.00 0.00 35.03 35.35 1qtf n LYS 45 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qtf n GLY 46 N 0.74 0.70 0.00 3.14 0.00 -1.26 -4.84 105.19 103.67 1qtf n GLY 46 Ca 0.06 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1qtf n GLY 46 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qtf n SER 47 N 1.08 0.00 -3.68 1.61 2.88 -0.40 -5.16 113.62 109.95 1qtf n SER 47 Ca -0.06 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.38 1qtf n SER 47 Cb 0.24 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.65 1qtf n SER 47 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1qtf s THR 48 N -1.00 0.06 -0.26 2.46 -4.23 -1.01 -5.03 115.64 106.63 1qtf s THR 48 Ca 0.00 -0.68 -0.04 0.00 -1.18 0.00 0.00 61.69 59.80 1qtf s THR 48 Cb 0.00 -1.30 0.09 0.00 1.34 0.00 0.00 72.50 72.63 1qtf s THR 48 CO 0.00 -0.27 0.11 -0.22 -0.54 0.00 0.00 174.62 173.69 1qtf s LEU 49 N -2.83 0.84 0.00 4.79 1.98 -1.26 -0.70 118.68 121.50 1qtf s LEU 49 Ca 0.05 -1.17 0.00 0.00 -2.89 0.00 0.00 54.13 50.12 1qtf s LEU 49 Cb 0.01 -0.44 0.00 0.00 0.66 0.00 0.00 46.19 46.43 1qtf s LEU 49 CO -0.09 -0.41 0.00 0.00 -1.89 0.00 0.00 176.35 173.96 1qtf n ALA 50 N 5.17 0.00 -2.52 5.97 0.00 0.13 -4.54 120.51 124.72 1qtf n ALA 50 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.14 1qtf n ALA 50 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 1qtf n ALA 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1qtf s THR 51 N 1.15 2.72 -0.14 0.00 2.01 0.20 -0.92 115.64 120.67 1qtf s THR 51 Ca 0.00 -2.24 -0.22 0.00 0.31 0.00 0.00 61.69 59.54 1qtf s THR 51 Cb 0.00 -2.50 0.05 0.00 0.01 0.00 0.00 72.50 70.07 1qtf s THR 51 CO 0.00 -0.37 0.56 -0.83 -0.69 0.00 0.00 174.62 173.30 1qtf s GLY 52 N -3.57 -0.43 0.13 4.40 0.00 -0.53 -4.22 107.32 103.10 1qtf s GLY 52 Ca 0.31 1.34 0.06 0.00 0.00 0.00 0.00 44.72 46.43 1qtf s GLY 52 CO 0.17 1.08 0.01 0.14 0.00 0.00 0.00 173.10 174.51 1qtf s VAL 53 N -0.34 3.95 -0.23 1.40 1.01 -0.68 -1.56 120.40 123.95 1qtf s VAL 53 Ca -0.05 -1.17 -0.08 0.00 0.00 0.00 0.00 61.98 60.68 1qtf s VAL 53 Cb -0.03 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1qtf s VAL 53 CO 0.04 0.01 0.08 -0.22 0.00 0.00 0.00 175.10 175.01 1qtf s LEU 54 N -2.64 3.64 -0.00 3.92 2.96 0.33 -0.99 118.68 125.90 1qtf s LEU 54 Ca 0.27 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.10 1qtf s LEU 54 Cb -0.11 -1.96 -0.00 0.00 0.50 0.00 0.00 46.19 44.62 1qtf s LEU 54 CO 0.19 0.03 0.01 2.30 -1.32 0.00 0.00 176.35 177.56 1qtf n ILE 55 N 4.48 0.00 -3.82 6.68 -5.35 -0.39 -0.46 119.36 120.50 1qtf n ILE 55 Ca -0.16 -0.23 -0.10 0.00 -0.27 0.00 0.00 62.75 62.00 1qtf n ILE 55 Cb 0.52 0.72 -0.05 0.00 -1.74 0.00 0.00 39.64 39.09 1qtf n ILE 55 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1qtf s GLY 56 N -1.57 0.12 0.06 3.28 0.00 -1.12 -4.58 107.32 103.51 1qtf s GLY 56 Ca -0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 44.72 44.19 1qtf s GLY 56 CO 0.01 -0.53 0.38 0.28 0.00 0.00 0.00 173.10 173.24 1qtf n LYS 57 N -0.26 -0.04 -0.01 2.90 5.02 -1.26 -0.95 118.16 123.55 1qtf n LYS 57 Ca -0.10 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1qtf n LYS 57 Cb 0.63 -0.56 0.01 0.00 -0.02 0.00 0.00 35.03 35.08 1qtf n LYS 57 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1qtf n ASN 58 N -4.38 1.38 -4.33 4.39 3.02 -1.26 -0.76 115.26 113.33 1qtf n ASN 58 Ca 0.03 -1.75 -0.33 0.00 -0.03 0.00 0.00 54.58 52.50 1qtf n ASN 58 Cb 0.11 -0.02 -0.14 0.00 -0.61 0.00 0.00 39.78 39.11 1qtf n ASN 58 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1qtf s THR 59 N -0.76 3.04 0.17 3.41 -4.23 -0.13 0.89 115.64 118.03 1qtf s THR 59 Ca 0.01 -0.65 0.10 0.00 -1.18 0.00 0.00 61.69 59.98 1qtf s THR 59 Cb 0.01 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.50 1qtf s THR 59 CO 0.00 0.50 -0.18 0.27 -0.54 0.00 0.00 174.62 174.67 1qtf s ILE 60 N 0.73 2.72 0.07 2.99 -4.36 -0.04 -1.26 121.20 122.05 1qtf s ILE 60 Ca -0.05 -1.78 0.09 0.00 -0.26 0.00 0.00 60.65 58.65 1qtf s ILE 60 Cb -0.15 -2.30 -0.03 0.00 1.25 0.00 0.00 42.46 41.22 1qtf s ILE 60 CO 0.02 -0.05 -0.22 0.54 0.24 0.00 0.00 174.94 175.46 1qtf s VAL 61 N -1.52 2.50 0.08 8.37 0.11 -0.16 -0.96 120.40 128.82 1qtf s VAL 61 Ca 0.21 -1.39 -0.03 0.00 -2.93 0.00 0.00 61.98 57.84 1qtf s VAL 61 Cb -0.09 -2.05 0.01 0.00 -1.53 0.00 0.00 36.38 32.72 1qtf s VAL 61 CO 0.11 0.27 0.16 1.07 -3.33 0.00 0.00 175.10 173.39 1qtf n THR 62 N 1.41 0.00 -2.91 5.04 5.66 -0.85 -1.68 114.28 120.96 1qtf n THR 62 Ca -0.17 -0.21 -0.33 0.00 -3.05 0.00 0.00 64.05 60.30 1qtf n THR 62 Cb 0.52 0.20 -0.07 0.00 -1.55 0.00 0.00 70.33 69.44 1qtf n THR 62 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1qtf s ASN 63 N -1.42 6.87 0.36 1.09 0.02 -1.26 0.56 114.94 121.15 1qtf s ASN 63 Ca 0.03 1.54 0.09 0.00 -1.02 0.00 0.00 52.86 53.51 1qtf s ASN 63 Cb -0.01 -2.48 0.68 0.00 0.02 0.00 0.00 41.25 39.46 1qtf s ASN 63 CO 0.02 -0.32 1.84 0.22 0.02 0.00 0.00 177.10 178.89 1qtf h TYR 64 N 1.97 0.22 0.00 2.20 3.20 -1.76 0.38 116.97 123.18 1qtf h TYR 64 Ca -0.49 -0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.28 1qtf h TYR 64 Cb 1.18 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 1qtf h TYR 64 CO 0.62 0.44 -0.33 1.12 -1.64 0.00 0.00 178.16 178.36 1qtf h HIS 65 N 0.18 0.00 0.04 -3.82 2.07 -1.89 0.78 115.15 112.51 1qtf h HIS 65 Ca 0.03 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.55 1qtf h HIS 65 Cb 0.54 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.52 1qtf h HIS 65 CO 0.01 0.33 -0.02 0.28 -3.07 0.00 0.00 177.93 175.46 1qtf h VAL 66 N 0.00 1.22 -0.20 6.12 2.07 -1.66 -3.36 116.25 120.44 1qtf h VAL 66 Ca -0.00 -1.69 -0.03 0.00 0.82 0.00 0.00 66.70 65.80 1qtf h VAL 66 Cb 0.79 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1qtf h VAL 66 CO 0.04 0.38 -0.02 0.00 0.02 0.00 0.00 177.57 177.98 1qtf h ALA 67 N -0.18 1.58 0.00 1.67 0.00 -0.78 -2.92 119.26 118.63 1qtf h ALA 67 Ca -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1qtf h ALA 67 Cb 0.66 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1qtf h ALA 67 CO 0.01 0.31 -0.07 0.07 0.00 0.00 0.00 179.25 179.57 1qtf h ARG 68 N 0.29 0.00 0.00 0.00 0.11 -0.98 -1.51 114.38 112.29 1qtf h ARG 68 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 1qtf h ARG 68 Cb 0.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.32 1qtf h ARG 68 CO 0.01 0.07 0.00 0.39 0.10 0.00 0.00 179.97 180.54 1qtf n GLU 69 N -3.87 0.08 0.18 0.08 -0.58 -1.10 -2.82 120.64 112.60 1qtf n GLU 69 Ca -0.02 0.20 0.14 0.00 -0.42 0.00 0.00 57.16 57.05 1qtf n GLU 69 Cb 0.16 -1.50 0.44 0.00 -0.57 0.00 0.00 31.44 29.97 1qtf n GLU 69 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1qtf h ALA 70 N 2.61 1.00 -4.51 0.62 0.00 -1.46 -3.48 119.26 114.05 1qtf h ALA 70 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 1qtf h ALA 70 Cb 0.23 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.12 1qtf h ALA 70 CO 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 179.25 178.75 1qtf n ALA 71 N -1.94 -0.95 -0.76 0.00 0.00 -1.13 -2.77 120.51 112.97 1qtf n ALA 71 Ca 0.03 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1qtf n ALA 71 Cb 0.38 -4.15 0.00 0.00 0.00 0.00 0.00 19.45 15.68 1qtf n ALA 71 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1qtf n LYS 72 N -3.80 -0.79 -3.76 0.00 4.76 -1.26 -4.95 118.16 108.36 1qtf n LYS 72 Ca 0.00 0.20 -0.38 0.00 -2.87 0.00 0.00 58.31 55.26 1qtf n LYS 72 Cb 0.55 -4.47 -0.12 0.00 -1.84 0.00 0.00 35.03 29.15 1qtf n LYS 72 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1qtf s ASN 73 N -2.07 5.25 0.38 4.39 3.84 -1.11 -4.89 114.94 120.72 1qtf s ASN 73 Ca 0.00 -1.04 0.26 0.00 0.21 0.00 0.00 52.86 52.29 1qtf s ASN 73 Cb 0.00 -1.87 1.38 0.00 -0.55 0.00 0.00 41.25 40.21 1qtf s ASN 73 CO 0.00 -0.29 1.78 1.55 -2.79 0.00 0.00 177.10 177.35 1qtf h PRO 74 N 8.22 0.00 -0.01 0.43 0.13 -1.86 -1.17 132.00 137.74 1qtf h PRO 74 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1qtf h PRO 74 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1qtf h PRO 74 CO 0.60 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.80 1qtf n SER 75 N -2.40 0.11 -0.40 1.44 7.64 -1.26 -2.55 113.62 116.20 1qtf n SER 75 Ca -0.02 -1.29 0.12 0.00 1.01 0.00 0.00 58.87 58.69 1qtf n SER 75 Cb 0.05 -0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.35 1qtf n SER 75 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1qtf n ASN 76 N -0.79 1.67 -4.15 6.43 3.02 -0.44 -4.89 115.26 116.11 1qtf n ASN 76 Ca 0.18 -1.29 -0.30 0.00 -0.03 0.00 0.00 54.58 53.13 1qtf n ASN 76 Cb 0.10 0.39 -0.17 0.00 -0.61 0.00 0.00 39.78 39.49 1qtf n ASN 76 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1qtf s ILE 77 N -2.51 1.79 -0.06 2.41 1.01 -1.06 -0.05 121.20 122.74 1qtf s ILE 77 Ca 0.20 -0.85 0.05 0.00 0.00 0.00 0.00 60.65 60.05 1qtf s ILE 77 Cb 0.18 -1.58 -0.00 0.00 0.01 0.00 0.00 42.46 41.07 1qtf s ILE 77 CO 0.57 0.50 -0.20 -0.63 0.00 0.00 0.00 174.94 175.18 1qtf s ILE 78 N 0.61 1.68 -0.18 2.92 1.09 -0.71 -0.91 121.20 125.70 1qtf s ILE 78 Ca -0.14 -0.84 0.01 0.00 -1.10 0.00 0.00 60.65 58.58 1qtf s ILE 78 Cb -0.17 -1.44 0.02 0.00 -1.06 0.00 0.00 42.46 39.81 1qtf s ILE 78 CO 0.04 0.48 -0.20 0.12 -0.10 0.00 0.00 174.94 175.28 1qtf s PHE 79 N 0.09 2.79 -0.35 3.97 5.36 -0.36 -0.38 117.98 129.10 1qtf s PHE 79 Ca -0.07 -1.65 0.03 0.00 -0.96 0.00 0.00 56.93 54.28 1qtf s PHE 79 Cb -0.14 -1.92 0.10 0.00 -0.34 0.00 0.00 43.02 40.72 1qtf s PHE 79 CO 0.04 -0.81 0.07 -0.08 -1.46 0.00 0.00 175.22 172.98 1qtf s THR 80 N 1.29 2.45 0.54 0.12 -1.32 -0.54 -2.13 115.64 116.05 1qtf s THR 80 Ca 0.05 -2.26 -0.21 0.00 -1.21 0.00 0.00 61.69 58.06 1qtf s THR 80 Cb -0.13 -2.77 -0.05 0.00 -1.51 0.00 0.00 72.50 68.04 1qtf s THR 80 CO -0.13 -0.59 1.23 -2.16 -2.21 0.00 0.00 174.62 170.76 1qtf s PRO 81 N 0.95 3.26 -1.08 7.08 0.04 -1.26 -2.25 135.00 141.74 1qtf s PRO 81 Ca 0.10 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1qtf s PRO 81 Cb -0.20 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1qtf s PRO 81 CO -0.07 -0.99 0.00 0.00 0.04 0.00 0.00 177.00 175.97 1qtf n ALA 82 N -1.11 -0.41 -1.75 8.56 0.00 -0.97 -4.54 120.51 120.29 1qtf n ALA 82 Ca 0.11 0.14 -0.38 0.00 0.00 0.00 0.00 53.44 53.31 1qtf n ALA 82 Cb 0.48 -1.28 0.05 0.00 0.00 0.00 0.00 19.45 18.70 1qtf n ALA 82 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1qtf s GLN 83 N -3.75 3.03 0.28 0.00 2.00 -1.22 -4.53 119.66 115.47 1qtf s GLN 83 Ca 0.00 2.24 -0.09 0.00 -2.00 0.00 0.00 55.36 55.50 1qtf s GLN 83 Cb 0.00 -2.19 0.04 0.00 0.80 0.00 0.00 33.01 31.65 1qtf s GLN 83 CO 0.00 -1.27 0.54 -1.71 -0.50 0.00 0.00 175.29 172.34 1qtf n ASN 84 N -1.17 -1.55 -3.93 6.67 2.85 -1.02 -4.54 115.26 112.57 1qtf n ASN 84 Ca 0.11 -2.16 -0.09 0.00 -0.11 0.00 0.00 54.58 52.33 1qtf n ASN 84 Cb 0.45 2.61 -0.09 0.00 1.24 0.00 0.00 39.78 43.99 1qtf n ASN 84 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 1qtf s ARG 85 N -2.13 0.61 -0.36 1.20 3.52 -1.18 -3.50 118.95 117.10 1qtf s ARG 85 Ca 0.12 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 1qtf s ARG 85 Cb -0.03 0.24 0.13 0.00 -1.56 0.00 0.00 34.95 33.73 1qtf s ARG 85 CO 0.09 -0.15 0.20 0.34 -0.81 0.00 0.00 175.30 174.97 1qtf s ASP 86 N -2.23 3.24 0.47 -2.12 -1.08 -0.59 -4.97 116.67 109.39 1qtf s ASP 86 Ca -0.03 -2.18 0.29 0.00 -0.52 0.00 0.00 52.55 50.10 1qtf s ASP 86 Cb -0.00 -0.57 1.59 0.00 -1.46 0.00 0.00 42.92 42.47 1qtf s ASP 86 CO -0.05 -0.32 1.88 0.00 0.52 0.00 0.00 175.17 177.20 1qtf h ALA 87 N 7.13 1.05 0.00 3.66 0.00 -1.96 0.65 119.26 129.79 1qtf h ALA 87 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1qtf h ALA 87 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1qtf h ALA 87 CO 0.34 -0.05 -0.12 0.93 0.00 0.00 0.00 179.25 180.35 1qtf h GLU 88 N 0.00 0.00 0.00 0.00 5.08 -1.96 -3.37 114.58 114.33 1qtf h GLU 88 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qtf h GLU 88 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1qtf h GLU 88 CO 0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 1qtf n LYS 89 N -3.28 0.13 -3.62 2.33 5.02 -1.17 -4.89 118.16 112.68 1qtf n LYS 89 Ca -0.02 0.38 -0.20 0.00 -2.02 0.00 0.00 58.31 56.45 1qtf n LYS 89 Cb 0.06 -1.75 0.05 0.00 -0.02 0.00 0.00 35.03 33.37 1qtf n LYS 89 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1qtf n ASN 90 N -1.99 -1.54 -4.10 4.39 4.13 0.23 -5.01 115.26 111.37 1qtf n ASN 90 Ca 0.02 -0.77 -0.29 0.00 1.68 0.00 0.00 54.58 55.22 1qtf n ASN 90 Cb 0.20 -4.34 -0.17 0.00 -1.54 0.00 0.00 39.78 33.94 1qtf n ASN 90 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1qtf s GLU 91 N -5.79 2.42 -0.97 3.52 2.02 -1.10 -4.97 118.70 113.82 1qtf s GLU 91 Ca 0.02 -0.64 -0.03 0.00 0.02 0.00 0.00 54.97 54.34 1qtf s GLU 91 Cb -0.00 -1.98 0.27 0.00 0.10 0.00 0.00 34.13 32.51 1qtf s GLU 91 CO 0.79 -0.01 1.11 1.19 0.02 0.00 0.00 175.26 178.36 1qtf n PHE 92 N 4.03 3.65 -1.77 1.61 3.01 -1.26 -1.54 117.46 125.18 1qtf n PHE 92 Ca -0.20 -3.52 -0.42 0.00 1.01 0.00 0.00 57.45 54.32 1qtf n PHE 92 Cb 0.52 -1.22 -0.03 0.00 -0.01 0.00 0.00 39.48 38.74 1qtf n PHE 92 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1qtf s PRO 93 N -2.05 4.15 -0.72 -1.08 0.04 -1.23 -4.71 135.00 129.40 1qtf s PRO 93 Ca 0.31 2.53 0.04 0.00 0.04 0.00 0.00 61.00 63.93 1qtf s PRO 93 Cb -0.00 -3.44 0.21 0.00 0.04 0.00 0.00 34.50 31.30 1qtf s PRO 93 CO -0.01 -0.78 0.65 0.25 0.04 0.00 0.00 177.00 177.14 1qtf n THR 94 N 4.51 2.17 0.33 1.26 -2.24 -1.26 -2.42 114.28 116.62 1qtf n THR 94 Ca 0.17 -5.06 0.14 0.00 -2.27 0.00 0.00 64.05 57.03 1qtf n THR 94 Cb 0.38 -2.17 0.76 0.00 -2.10 0.00 0.00 70.33 67.19 1qtf n THR 94 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1qtf h PRO 95 N 5.02 0.00 0.00 -0.78 0.11 -1.81 -1.79 132.00 132.75 1qtf h PRO 95 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1qtf h PRO 95 Cb 0.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1qtf h PRO 95 CO 0.80 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.25 1qtf n TYR 96 N -2.82 0.00 -4.29 0.65 4.01 -1.26 -5.14 117.16 108.31 1qtf n TYR 96 Ca -0.02 -0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 1qtf n TYR 96 Cb 0.40 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 1qtf n TYR 96 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qtf n GLY 97 N -0.22 -1.69 3.84 2.72 0.00 -0.67 -4.93 105.19 104.23 1qtf n GLY 97 Ca 0.00 -1.29 -0.22 0.00 0.00 0.00 0.00 46.02 44.51 1qtf n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qtf s LYS 98 N 0.00 2.92 -0.05 1.61 1.02 -1.26 -4.20 119.74 119.78 1qtf s LYS 98 Ca 0.00 -1.08 -0.02 0.00 0.02 0.00 0.00 55.97 54.89 1qtf s LYS 98 Cb 0.00 -2.57 0.03 0.00 -0.52 0.00 0.00 37.83 34.78 1qtf s LYS 98 CO 0.00 0.34 0.08 -0.06 -0.92 0.00 0.00 175.35 174.79 1qtf s PHE 99 N -2.16 -0.01 0.30 3.18 0.40 -0.91 -4.83 117.98 113.95 1qtf s PHE 99 Ca 0.35 0.32 -0.09 0.00 -0.60 0.00 0.00 56.93 56.90 1qtf s PHE 99 Cb -0.08 -0.35 -0.07 0.00 0.51 0.00 0.00 43.02 43.03 1qtf s PHE 99 CO 0.25 -0.18 0.63 -1.83 0.70 0.00 0.00 175.22 174.79 1qtf s GLU 100 N 1.88 3.77 0.77 0.44 -1.05 -1.26 -1.23 118.70 122.02 1qtf s GLU 100 Ca 0.01 0.29 -0.12 0.00 -0.15 0.00 0.00 54.97 55.00 1qtf s GLU 100 Cb -0.12 -2.55 0.06 0.00 -0.44 0.00 0.00 34.13 31.07 1qtf s GLU 100 CO -0.04 0.18 1.12 0.00 0.95 0.00 0.00 175.26 177.47 1qtf s ALA 101 N -2.06 2.13 -0.01 -0.84 0.00 -0.08 -1.33 121.76 119.56 1qtf s ALA 101 Ca 0.48 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 52.92 1qtf s ALA 101 Cb -0.11 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 1qtf s ALA 101 CO 0.26 -1.87 -0.03 -1.91 0.00 0.00 0.00 175.76 172.21 1qtf n GLU 102 N -3.28 0.05 -4.37 0.00 2.13 0.99 -4.40 120.64 111.75 1qtf n GLU 102 Ca 0.11 0.02 -0.22 0.00 0.66 0.00 0.00 57.16 57.72 1qtf n GLU 102 Cb 0.52 -0.58 -0.16 0.00 0.27 0.00 0.00 31.44 31.48 1qtf n GLU 102 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1qtf s GLU 103 N -2.05 1.28 -0.20 5.31 2.12 -0.93 -4.62 118.70 119.61 1qtf s GLU 103 Ca -0.03 -0.26 -0.06 0.00 0.36 0.00 0.00 54.97 54.97 1qtf s GLU 103 Cb 0.01 -1.14 -0.03 0.00 0.26 0.00 0.00 34.13 33.23 1qtf s GLU 103 CO 0.04 -0.03 0.03 0.42 -0.54 0.00 0.00 175.26 175.18 1qtf s ILE 104 N 0.79 4.32 -0.51 -3.70 1.01 -1.26 -1.47 121.20 120.39 1qtf s ILE 104 Ca -0.13 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.37 1qtf s ILE 104 Cb -0.15 -2.96 0.13 0.00 0.01 0.00 0.00 42.46 39.49 1qtf s ILE 104 CO 0.02 0.43 0.25 -0.54 0.00 0.00 0.00 174.94 175.10 1qtf s LYS 105 N 0.80 1.98 0.18 2.79 1.02 -0.49 -5.01 119.74 121.00 1qtf s LYS 105 Ca 0.02 -2.53 -0.14 0.00 0.02 0.00 0.00 55.97 53.34 1qtf s LYS 105 Cb -0.14 -3.35 0.15 0.00 -0.52 0.00 0.00 37.83 33.98 1qtf s LYS 105 CO 0.02 -1.10 1.71 0.93 -0.92 0.00 0.00 175.35 176.00 1qtf h GLU 106 N 6.68 0.18 -1.33 1.68 5.08 -1.91 -1.36 114.58 123.60 1qtf h GLU 106 Ca -0.07 -0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 57.92 1qtf h GLU 106 Cb 0.91 -0.04 -0.26 0.00 0.50 0.00 0.00 28.75 29.86 1qtf h GLU 106 CO 0.67 0.12 -0.73 -1.13 -1.00 0.00 0.00 179.01 176.94 1qtf n SER 107 N -5.14 -1.90 0.33 1.42 3.41 -1.26 -4.19 113.62 106.29 1qtf n SER 107 Ca 0.04 -2.81 0.22 0.00 -0.26 0.00 0.00 58.87 56.05 1qtf n SER 107 Cb 0.22 0.73 1.15 0.00 -0.26 0.00 0.00 64.21 66.05 1qtf n SER 107 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1qtf h PRO 108 N 4.78 0.00 -0.27 4.33 0.13 -1.74 -2.15 132.00 137.08 1qtf h PRO 108 Ca 0.07 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.11 1qtf h PRO 108 Cb 1.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.07 1qtf h PRO 108 CO 0.26 0.00 -0.06 0.66 -0.23 0.00 0.00 178.00 178.63 1qtf n TYR 109 N -3.01 0.88 -0.20 1.56 4.02 -1.26 -4.78 117.16 114.36 1qtf n TYR 109 Ca -0.03 -1.28 0.02 0.00 -0.01 0.00 0.00 57.90 56.61 1qtf n TYR 109 Cb 0.09 -0.38 -0.01 0.00 -0.02 0.00 0.00 39.34 39.02 1qtf n TYR 109 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qtf n GLY 110 N -0.94 -2.78 3.78 2.72 0.00 -0.81 -4.67 105.19 102.49 1qtf n GLY 110 Ca 0.27 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 1qtf n GLY 110 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qtf s GLN 111 N -3.38 3.71 0.00 1.61 -0.21 -1.26 -3.39 119.66 116.74 1qtf s GLN 111 Ca 0.00 1.56 0.00 0.00 0.02 0.00 0.00 55.36 56.94 1qtf s GLN 111 Cb 0.00 -2.22 0.00 0.00 1.00 0.00 0.00 33.01 31.79 1qtf s GLN 111 CO 0.00 -0.54 0.00 0.41 -2.12 0.00 0.00 175.29 173.04 1qtf n GLY 112 N 0.14 1.32 3.11 3.09 0.00 -1.26 -5.02 105.19 106.56 1qtf n GLY 112 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1qtf n GLY 112 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qtf s LEU 113 N 0.00 2.70 -1.51 0.99 1.43 -1.22 -5.03 118.68 116.04 1qtf s LEU 113 Ca 0.00 -0.94 -0.10 0.00 -1.03 0.00 0.00 54.13 52.06 1qtf s LEU 113 Cb 0.00 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.69 1qtf s LEU 113 CO 0.00 -0.08 2.62 -0.67 0.23 0.00 0.00 176.35 178.45 1qtf n ASP 114 N 4.56 7.31 -3.92 2.29 2.03 -1.26 -4.77 116.55 122.78 1qtf n ASP 114 Ca -0.18 -2.77 -0.21 0.00 0.52 0.00 0.00 54.79 52.15 1qtf n ASP 114 Cb 0.47 -1.54 -0.16 0.00 -0.72 0.00 0.00 41.12 39.17 1qtf n ASP 114 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1qtf s LEU 115 N 0.18 1.42 0.14 -2.67 0.20 -1.26 -3.30 118.68 113.39 1qtf s LEU 115 Ca 0.60 -0.16 0.11 0.00 0.69 0.00 0.00 54.13 55.36 1qtf s LEU 115 Cb 0.17 -0.53 -0.04 0.00 -0.43 0.00 0.00 46.19 45.36 1qtf s LEU 115 CO -0.07 -0.03 -0.26 0.00 -0.29 0.00 0.00 176.35 175.71 1qtf s ALA 116 N 0.82 2.32 -0.20 5.97 0.00 0.19 -4.17 121.76 126.69 1qtf s ALA 116 Ca -0.12 -1.47 0.02 0.00 0.00 0.00 0.00 51.96 50.39 1qtf s ALA 116 Cb -0.15 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.65 1qtf s ALA 116 CO 0.01 0.50 -0.16 0.42 0.00 0.00 0.00 175.76 176.53 1qtf s ILE 117 N -1.17 2.03 -0.12 0.00 1.01 -0.51 -2.01 121.20 120.43 1qtf s ILE 117 Ca 0.14 -1.13 0.01 0.00 0.00 0.00 0.00 60.65 59.67 1qtf s ILE 117 Cb -0.10 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 1qtf s ILE 117 CO 0.06 0.34 -0.17 -0.63 0.00 0.00 0.00 174.94 174.54 1qtf s ILE 118 N 1.25 2.70 -0.13 2.92 1.01 -0.14 -1.40 121.20 127.42 1qtf s ILE 118 Ca 0.00 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.80 1qtf s ILE 118 Cb -0.15 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 1qtf s ILE 118 CO -0.10 0.54 0.11 -0.54 0.00 0.00 0.00 174.94 174.94 1qtf s LYS 119 N 0.31 3.53 0.26 2.79 1.02 -0.54 -0.86 119.74 126.25 1qtf s LYS 119 Ca -0.13 -0.21 0.09 0.00 0.02 0.00 0.00 55.97 55.74 1qtf s LYS 119 Cb -0.16 -3.16 -0.04 0.00 -0.52 0.00 0.00 37.83 33.94 1qtf s LYS 119 CO 0.07 0.64 0.05 -0.51 -0.92 0.00 0.00 175.35 174.68 1qtf s LEU 120 N -0.65 3.36 0.75 3.17 1.43 0.26 -0.01 118.68 126.98 1qtf s LEU 120 Ca 0.12 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 1qtf s LEU 120 Cb -0.12 -1.88 0.05 0.00 0.03 0.00 0.00 46.19 44.27 1qtf s LEU 120 CO 0.02 -0.01 1.12 -0.54 0.23 0.00 0.00 176.35 177.17 1qtf s LYS 121 N -3.72 2.38 0.68 1.70 1.02 -0.44 -4.71 119.74 116.66 1qtf s LYS 121 Ca 0.32 0.21 -0.02 0.00 0.02 0.00 0.00 55.97 56.50 1qtf s LYS 121 Cb -0.07 -2.02 0.10 0.00 -0.52 0.00 0.00 37.83 35.32 1qtf s LYS 121 CO 0.21 -1.30 0.95 -2.14 -0.92 0.00 0.00 175.35 172.16 1qtf s PRO 122 N -5.43 1.94 0.84 -1.68 0.02 -1.26 -4.69 135.00 124.74 1qtf s PRO 122 Ca 0.60 -0.86 -0.12 0.00 0.02 0.00 0.00 61.00 60.63 1qtf s PRO 122 Cb -0.11 -2.33 0.10 0.00 0.02 0.00 0.00 34.50 32.18 1qtf s PRO 122 CO 0.49 -1.26 1.17 0.54 -0.33 0.00 0.00 177.00 177.61 1qtf s ASN 123 N -4.63 4.19 0.15 2.53 6.03 0.07 -4.86 114.94 118.42 1qtf s ASN 123 Ca 0.63 0.82 0.08 0.00 -1.03 0.00 0.00 52.86 53.37 1qtf s ASN 123 Cb -0.07 -1.33 0.45 0.00 -3.03 0.00 0.00 41.25 37.26 1qtf s ASN 123 CO 0.43 -2.11 1.19 1.21 -2.03 0.00 0.00 177.10 175.79 1qtf n GLU 124 N -3.46 0.05 -0.06 3.55 2.13 -1.26 0.33 120.64 121.92 1qtf n GLU 124 Ca 0.08 0.51 0.12 0.00 0.66 0.00 0.00 57.16 58.52 1qtf n GLU 124 Cb 0.60 -1.77 0.41 0.00 0.27 0.00 0.00 31.44 30.95 1qtf n GLU 124 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1qtf n LYS 125 N -1.76 1.76 -0.87 5.31 5.02 -1.26 -4.91 118.16 121.44 1qtf n LYS 125 Ca -0.01 -1.13 0.00 0.00 -2.02 0.00 0.00 58.31 55.16 1qtf n LYS 125 Cb 0.11 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1qtf n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qtf n GLY 126 N 1.16 0.96 3.86 0.72 0.00 0.15 -5.01 105.19 107.04 1qtf n GLY 126 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1qtf n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qtf s GLU 127 N -0.14 3.92 0.13 1.61 2.02 -1.26 -4.80 118.70 120.19 1qtf s GLU 127 Ca 0.00 0.54 0.07 0.00 0.02 0.00 0.00 54.97 55.60 1qtf s GLU 127 Cb 0.00 -2.48 -0.04 0.00 0.10 0.00 0.00 34.13 31.71 1qtf s GLU 127 CO 0.00 0.18 -0.06 -1.54 0.02 0.00 0.00 175.26 173.86 1qtf s SER 128 N -2.41 4.57 0.45 -0.19 1.04 -1.26 -0.75 113.70 115.15 1qtf s SER 128 Ca 0.52 -0.39 0.31 0.00 0.48 0.00 0.00 55.95 56.87 1qtf s SER 128 Cb -0.10 -0.92 1.45 0.00 0.10 0.00 0.00 66.02 66.54 1qtf s SER 128 CO 0.20 0.14 1.62 0.00 0.98 0.00 0.00 173.24 176.18 1qtf h ALA 129 N 3.21 2.80 0.00 5.32 0.00 -1.86 0.22 119.26 128.94 1qtf h ALA 129 Ca -0.48 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1qtf h ALA 129 Cb 1.18 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1qtf h ALA 129 CO 0.55 -1.43 0.00 0.41 0.00 0.00 0.00 179.25 178.78 1qtf n GLY 130 N -1.55 -1.09 0.12 0.00 0.00 0.06 0.30 105.19 103.04 1qtf n GLY 130 Ca 0.38 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 46.14 1qtf n GLY 130 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qtf n ASP 131 N -1.39 2.11 0.26 1.61 8.00 0.74 -4.48 116.55 123.41 1qtf n ASP 131 Ca 0.08 -0.12 -0.13 0.00 0.71 0.00 0.00 54.79 55.33 1qtf n ASP 131 Cb 0.20 -0.39 -0.07 0.00 -0.02 0.00 0.00 41.12 40.84 1qtf n ASP 131 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1qtf h LEU 132 N -0.03 -0.60 -8.98 0.64 3.38 -1.25 -3.44 115.31 105.05 1qtf h LEU 132 Ca -0.54 -0.04 -0.65 0.00 0.09 0.00 0.00 57.88 56.73 1qtf h LEU 132 Cb 1.83 0.15 -0.20 0.00 0.09 0.00 0.00 40.66 42.53 1qtf h LEU 132 CO -0.09 -0.20 -0.66 -0.63 0.09 0.00 0.00 178.44 176.95 1qtf s ILE 133 N -4.29 3.93 -0.11 1.22 1.01 0.15 -5.09 121.20 118.02 1qtf s ILE 133 Ca -0.13 -0.36 -0.30 0.00 0.00 0.00 0.00 60.65 59.87 1qtf s ILE 133 Cb 0.01 -2.69 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 1qtf s ILE 133 CO 0.41 0.53 1.24 -1.58 0.00 0.00 0.00 174.94 175.54 1qtf s GLN 134 N -0.10 4.29 0.58 2.79 0.74 -1.26 -3.82 119.66 122.87 1qtf s GLN 134 Ca 0.02 1.67 -0.19 0.00 0.05 0.00 0.00 55.36 56.91 1qtf s GLN 134 Cb -0.13 -3.67 -0.05 0.00 1.10 0.00 0.00 33.01 30.26 1qtf s GLN 134 CO 0.02 -0.59 1.00 -2.30 -0.55 0.00 0.00 175.29 172.88 1qtf n PRO 135 N 5.95 1.01 -1.76 1.67 -0.02 -1.26 -4.68 135.00 135.91 1qtf n PRO 135 Ca 0.13 0.39 -0.41 0.00 -2.02 0.00 0.00 63.50 61.58 1qtf n PRO 135 Cb 0.45 -2.19 -0.01 0.00 -0.02 0.00 0.00 33.50 31.74 1qtf n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qtf n ALA 136 N -1.55 2.30 -2.47 3.55 0.00 0.39 -4.95 120.51 117.78 1qtf n ALA 136 Ca 0.13 0.35 -0.37 0.00 0.00 0.00 0.00 53.44 53.56 1qtf n ALA 136 Cb 0.46 -2.41 -0.06 0.00 0.00 0.00 0.00 19.45 17.44 1qtf n ALA 136 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1qtf s ASN 137 N 0.04 6.79 -0.10 0.00 0.02 -1.26 -4.70 114.94 115.73 1qtf s ASN 137 Ca 0.57 0.97 0.03 0.00 -1.02 0.00 0.00 52.86 53.41 1qtf s ASN 137 Cb -0.49 -2.25 -0.01 0.00 0.02 0.00 0.00 41.25 38.52 1qtf s ASN 137 CO 0.59 0.23 -0.20 -0.63 0.02 0.00 0.00 177.10 177.11 1qtf s ILE 138 N -1.25 2.43 0.75 0.60 1.01 -1.26 -0.69 121.20 122.79 1qtf s ILE 138 Ca 0.30 -0.90 -0.11 0.00 0.00 0.00 0.00 60.65 59.94 1qtf s ILE 138 Cb -0.16 -1.96 0.04 0.00 0.01 0.00 0.00 42.46 40.40 1qtf s ILE 138 CO 0.16 0.55 1.08 -2.84 0.00 0.00 0.00 174.94 173.89 1qtf s PRO 139 N 0.23 2.44 0.16 2.79 0.02 -1.26 -4.98 135.00 134.40 1qtf s PRO 139 Ca -0.13 0.92 0.18 0.00 0.02 0.00 0.00 61.00 61.99 1qtf s PRO 139 Cb -0.16 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 1qtf s PRO 139 CO 0.07 -1.44 1.03 -0.44 -0.33 0.00 0.00 177.00 175.89 1qtf h ASP 140 N -0.97 0.00 -3.32 2.53 3.32 -1.99 -3.44 116.42 112.54 1qtf h ASP 140 Ca -0.45 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.05 1qtf h ASP 140 Cb 1.23 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.41 1qtf h ASP 140 CO 0.56 0.38 -0.79 -2.28 -1.72 0.00 0.00 179.24 175.39 1qtf s HIS 141 N -3.06 1.63 -0.28 4.55 2.46 -1.26 -4.96 115.29 114.36 1qtf s HIS 141 Ca -0.01 -1.04 -0.03 0.00 0.47 0.00 0.00 55.06 54.46 1qtf s HIS 141 Cb 0.08 -1.28 0.03 0.00 -0.13 0.00 0.00 32.58 31.29 1qtf s HIS 141 CO 0.79 -0.60 -0.01 0.42 -2.47 0.00 0.00 174.74 172.86 1qtf s ILE 142 N 1.66 3.15 -0.23 0.89 1.01 -1.26 -5.09 121.20 121.32 1qtf s ILE 142 Ca 0.01 -1.09 -0.02 0.00 0.00 0.00 0.00 60.65 59.54 1qtf s ILE 142 Cb -0.15 -2.68 0.01 0.00 0.01 0.00 0.00 42.46 39.65 1qtf s ILE 142 CO -0.08 0.06 -0.07 -0.62 0.00 0.00 0.00 174.94 174.23 1qtf s ASP 143 N 1.34 4.16 -0.14 3.58 2.15 -1.26 -4.78 116.67 121.71 1qtf s ASP 143 Ca -0.01 -0.64 0.02 0.00 0.43 0.00 0.00 52.55 52.34 1qtf s ASP 143 Cb -0.18 -1.67 0.00 0.00 -0.30 0.00 0.00 42.92 40.77 1qtf s ASP 143 CO -0.02 -0.07 -0.19 -0.63 -0.17 0.00 0.00 175.17 174.09 1qtf s ILE 144 N 1.39 2.33 0.14 4.11 1.01 -1.26 -5.12 121.20 123.80 1qtf s ILE 144 Ca 0.03 -0.89 0.08 0.00 0.00 0.00 0.00 60.65 59.87 1qtf s ILE 144 Cb -0.15 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 1qtf s ILE 144 CO -0.05 0.54 -0.18 0.00 0.00 0.00 0.00 174.94 175.24 1qtf s ALA 145 N 0.71 1.90 0.29 9.38 0.00 -1.26 -4.95 121.76 127.82 1qtf s ALA 145 Ca -0.09 -1.41 -0.30 0.00 0.00 0.00 0.00 51.96 50.17 1qtf s ALA 145 Cb -0.16 -0.19 -0.11 0.00 0.00 0.00 0.00 23.12 22.67 1qtf s ALA 145 CO 0.01 0.25 1.53 0.15 0.00 0.00 0.00 175.76 177.70 1qtf s LYS 146 N -2.56 4.18 0.00 0.00 1.02 -1.26 -1.99 119.74 119.12 1qtf s LYS 146 Ca 0.13 2.48 0.00 0.00 0.02 0.00 0.00 55.97 58.59 1qtf s LYS 146 Cb -0.07 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.19 1qtf s LYS 146 CO 0.06 -0.54 0.00 0.41 -0.92 0.00 0.00 175.35 174.35 1qtf n GLY 147 N 2.00 2.21 3.74 -3.33 0.00 0.25 -4.16 105.19 105.90 1qtf n GLY 147 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1qtf n GLY 147 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qtf n ASP 148 N 0.00 2.70 -4.48 1.61 9.92 -0.84 -4.51 116.55 120.95 1qtf n ASP 148 Ca 0.00 1.02 -0.34 0.00 -0.53 0.00 0.00 54.79 54.93 1qtf n ASP 148 Cb 0.00 -1.56 -0.12 0.00 -0.64 0.00 0.00 41.12 38.80 1qtf n ASP 148 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1qtf s LYS 149 N -2.70 3.66 0.21 -1.24 -0.14 -1.26 -0.78 119.74 117.49 1qtf s LYS 149 Ca 0.68 -0.51 0.00 0.00 -1.36 0.00 0.00 55.97 54.78 1qtf s LYS 149 Cb -0.44 -3.00 -0.05 0.00 -1.68 0.00 0.00 37.83 32.67 1qtf s LYS 149 CO 0.52 0.15 0.08 0.71 -0.76 0.00 0.00 175.35 176.04 1qtf s TYR 150 N 0.63 1.29 -0.03 3.18 2.02 -0.67 -4.81 117.35 118.96 1qtf s TYR 150 Ca -0.01 -1.21 0.03 0.00 -0.37 0.00 0.00 57.07 55.51 1qtf s TYR 150 Cb -0.14 -0.72 -0.03 0.00 -0.40 0.00 0.00 41.96 40.67 1qtf s TYR 150 CO 0.02 -0.41 -0.11 -1.12 -1.57 0.00 0.00 175.55 172.36 1qtf s SER 151 N -3.21 4.30 -0.21 2.29 0.01 -0.75 -0.88 113.70 115.25 1qtf s SER 151 Ca 0.34 -0.17 0.02 0.00 1.31 0.00 0.00 55.95 57.44 1qtf s SER 151 Cb 0.07 -0.95 0.03 0.00 0.21 0.00 0.00 66.02 65.38 1qtf s SER 151 CO 0.10 0.32 -0.17 -0.22 0.41 0.00 0.00 173.24 173.68 1qtf s LEU 152 N -1.02 2.56 -0.26 2.44 0.20 0.12 -0.48 118.68 122.24 1qtf s LEU 152 Ca 0.14 -0.89 -0.09 0.00 0.69 0.00 0.00 54.13 53.97 1qtf s LEU 152 Cb -0.11 -1.50 -0.04 0.00 -0.43 0.00 0.00 46.19 44.11 1qtf s LEU 152 CO 0.03 -0.06 0.13 -0.76 -0.29 0.00 0.00 176.35 175.40 1qtf s LEU 153 N 1.23 3.80 0.37 -0.68 1.43 -0.39 -0.90 118.68 123.54 1qtf s LEU 153 Ca 0.01 -0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 52.89 1qtf s LEU 153 Cb -0.15 -2.03 0.06 0.00 0.03 0.00 0.00 46.19 44.10 1qtf s LEU 153 CO -0.10 -0.01 0.83 -0.83 0.23 0.00 0.00 176.35 176.46 1qtf s GLY 154 N 1.51 0.39 -0.81 -3.19 0.00 -0.92 -2.37 107.32 101.93 1qtf s GLY 154 Ca 0.06 -0.75 -0.04 0.00 0.00 0.00 0.00 44.72 44.00 1qtf s GLY 154 CO 0.07 0.03 0.68 -0.19 0.00 0.00 0.00 173.10 173.69 1qtf s TYR 155 N -2.12 3.74 -0.42 1.90 1.51 -1.26 -1.32 117.35 119.39 1qtf s TYR 155 Ca 0.17 -2.82 -0.28 0.00 -1.01 0.00 0.00 57.07 53.13 1qtf s TYR 155 Cb -0.05 -3.31 -0.01 0.00 -0.11 0.00 0.00 41.96 38.48 1qtf s TYR 155 CO 0.11 -0.80 1.75 -2.14 -1.11 0.00 0.00 175.55 173.36 1qtf s PRO 156 N -0.79 3.19 0.00 -1.71 0.02 -1.26 -4.06 135.00 130.39 1qtf s PRO 156 Ca 0.23 1.14 0.26 0.00 0.02 0.00 0.00 61.00 62.65 1qtf s PRO 156 Cb -0.12 -4.22 0.65 0.00 0.02 0.00 0.00 34.50 30.83 1qtf s PRO 156 CO -0.09 -2.03 1.51 2.48 -0.33 0.00 0.00 177.00 178.54 1qtf n TYR 157 N 10.68 0.00 0.03 6.54 0.18 -1.26 -3.02 117.16 130.31 1qtf n TYR 157 Ca 0.21 0.00 -0.19 0.00 1.88 0.00 0.00 57.90 59.81 1qtf n TYR 157 Cb 0.48 -0.26 -0.12 0.00 -0.38 0.00 0.00 39.34 39.06 1qtf n TYR 157 CO 0.00 0.00 0.00 -0.91 -2.08 0.00 0.00 176.86 173.87 1qtf h ASN 158 N 0.17 0.53 0.00 9.48 2.35 -2.00 -3.28 115.58 122.83 1qtf h ASN 158 Ca 0.00 -0.84 0.00 0.00 -0.55 0.00 0.00 56.30 54.91 1qtf h ASN 158 Cb 0.49 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1qtf h ASN 158 CO 0.00 1.31 0.00 0.00 -1.65 0.00 0.00 177.43 177.09 1qtf n TYR 159 N -4.16 0.00 -3.67 1.19 9.36 -1.26 -4.79 117.16 113.83 1qtf n TYR 159 Ca -0.12 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.81 1qtf n TYR 159 Cb 0.75 -0.28 -0.14 0.00 -0.63 0.00 0.00 39.34 39.03 1qtf n TYR 159 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1qtf s SER 160 N -2.05 3.77 0.23 2.98 0.15 -1.17 -5.12 113.70 112.49 1qtf s SER 160 Ca 0.00 -1.82 -0.32 0.00 0.70 0.00 0.00 55.95 54.52 1qtf s SER 160 Cb 0.00 -0.76 -0.13 0.00 -1.71 0.00 0.00 66.02 63.41 1qtf s SER 160 CO 0.00 -0.38 1.45 0.00 1.20 0.00 0.00 173.24 175.51 1qtf n ALA 161 N 4.59 1.27 -1.09 5.45 0.00 -1.24 -1.99 120.51 127.50 1qtf n ALA 161 Ca 0.01 0.41 -0.03 0.00 0.00 0.00 0.00 53.44 53.83 1qtf n ALA 161 Cb 0.40 -2.30 -0.01 0.00 0.00 0.00 0.00 19.45 17.54 1qtf n ALA 161 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qtf n TYR 162 N 2.17 0.00 -4.56 0.00 4.01 -1.26 -4.88 117.16 112.64 1qtf n TYR 162 Ca 0.12 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.52 1qtf n TYR 162 Cb 0.31 -1.31 -0.11 0.00 -0.31 0.00 0.00 39.34 37.92 1qtf n TYR 162 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1qtf s SER 163 N -2.27 4.74 -0.35 7.72 0.01 -0.84 -3.11 113.70 119.59 1qtf s SER 163 Ca 0.00 -0.02 -0.25 0.00 1.31 0.00 0.00 55.95 56.99 1qtf s SER 163 Cb 0.00 -1.31 0.01 0.00 0.21 0.00 0.00 66.02 64.93 1qtf s SER 163 CO 0.00 0.33 0.87 -0.22 0.41 0.00 0.00 173.24 174.63 1qtf s LEU 164 N -0.63 4.05 -0.02 2.44 2.96 -1.26 -4.14 118.68 122.08 1qtf s LEU 164 Ca 0.10 0.57 0.03 0.00 -0.22 0.00 0.00 54.13 54.61 1qtf s LEU 164 Cb -0.12 -3.18 -0.03 0.00 0.50 0.00 0.00 46.19 43.37 1qtf s LEU 164 CO 0.02 -0.77 -0.09 -0.31 -1.32 0.00 0.00 176.35 173.87 1qtf s TYR 165 N 3.27 2.83 -0.22 5.38 1.51 -0.43 -1.51 117.35 128.18 1qtf s TYR 165 Ca 0.36 -0.07 -0.06 0.00 -1.01 0.00 0.00 57.07 56.29 1qtf s TYR 165 Cb -0.13 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.08 1qtf s TYR 165 CO 0.17 0.32 0.03 -1.14 -1.11 0.00 0.00 175.55 173.81 1qtf s GLN 166 N -1.16 3.64 -0.13 -0.62 0.74 -0.47 -2.16 119.66 119.50 1qtf s GLN 166 Ca 0.15 -0.50 -0.03 0.00 0.05 0.00 0.00 55.36 55.03 1qtf s GLN 166 Cb -0.11 -3.17 -0.03 0.00 1.10 0.00 0.00 33.01 30.80 1qtf s GLN 166 CO 0.05 -0.05 -0.04 -1.12 -0.55 0.00 0.00 175.29 173.57 1qtf s SER 167 N 1.19 4.77 0.04 6.67 0.01 -0.08 -2.44 113.70 123.86 1qtf s SER 167 Ca 0.04 -0.10 -0.21 0.00 1.31 0.00 0.00 55.95 56.98 1qtf s SER 167 Cb -0.14 -1.65 -0.06 0.00 0.21 0.00 0.00 66.02 64.38 1qtf s SER 167 CO 0.02 0.22 0.63 -1.58 0.41 0.00 0.00 173.24 172.94 1qtf s GLN 168 N 0.06 4.34 0.10 12.44 0.74 -0.20 0.12 119.66 137.26 1qtf s GLN 168 Ca -0.00 0.83 0.08 0.00 0.05 0.00 0.00 55.36 56.31 1qtf s GLN 168 Cb -0.13 -3.31 -0.03 0.00 1.10 0.00 0.00 33.01 30.63 1qtf s GLN 168 CO 0.03 0.44 -0.21 0.96 -0.55 0.00 0.00 175.29 175.96 1qtf s ILE 169 N -0.49 1.70 -0.16 -2.34 -4.36 -0.06 -4.46 121.20 111.03 1qtf s ILE 169 Ca 0.32 -1.54 0.01 0.00 -0.26 0.00 0.00 60.65 59.18 1qtf s ILE 169 Cb -0.19 -1.55 0.02 0.00 1.25 0.00 0.00 42.46 41.99 1qtf s ILE 169 CO 0.19 -0.07 -0.17 -0.70 0.24 0.00 0.00 174.94 174.44 1qtf s GLU 170 N -1.91 2.58 0.11 0.37 2.12 -0.51 -1.68 118.70 119.78 1qtf s GLU 170 Ca 0.06 -0.67 -0.31 0.00 0.36 0.00 0.00 54.97 54.41 1qtf s GLU 170 Cb -0.10 -2.27 -0.09 0.00 0.26 0.00 0.00 34.13 31.93 1qtf s GLU 170 CO 0.04 -0.20 1.60 -1.64 -0.54 0.00 0.00 175.26 174.52 1qtf s MET 171 N 1.33 4.21 -0.26 4.30 -1.94 0.04 -1.60 119.30 125.38 1qtf s MET 171 Ca 0.03 2.32 -0.14 0.00 -1.71 0.00 0.00 55.69 56.19 1qtf s MET 171 Cb -0.13 -3.41 -0.14 0.00 2.01 0.00 0.00 34.83 33.16 1qtf s MET 171 CO -0.10 -0.66 -0.22 0.34 -0.01 0.00 0.00 175.02 174.36 1qtf n PHE 172 N 4.86 0.22 0.00 -0.03 7.35 0.70 0.85 117.46 131.42 1qtf n PHE 172 Ca 0.15 0.09 0.00 0.00 -0.76 0.00 0.00 57.45 56.93 1qtf n PHE 172 Cb 0.40 -1.02 0.00 0.00 0.35 0.00 0.00 39.48 39.21 1qtf n PHE 172 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1qtf n ASN 173 N -4.20 0.00 0.00 -2.13 3.02 -1.02 -4.74 115.26 106.19 1qtf n ASN 173 Ca -0.49 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.06 1qtf n ASN 173 Cb 0.86 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.03 1qtf n ASN 173 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1qtf n ASP 174 N 0.00 0.70 0.00 6.41 5.68 -1.26 -4.18 116.55 123.90 1qtf n ASP 174 Ca 0.00 -1.28 0.00 0.00 -0.50 0.00 0.00 54.79 53.01 1qtf n ASP 174 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1qtf n ASP 174 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1qtf n SER 175 N -0.14 0.00 -4.40 -1.12 3.41 -1.26 -4.80 113.62 105.31 1qtf n SER 175 Ca 0.00 -0.39 -0.29 0.00 -0.26 0.00 0.00 58.87 57.93 1qtf n SER 175 Cb 0.30 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.12 1qtf n SER 175 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1qtf s GLN 176 N 0.00 1.53 0.16 4.33 -0.21 -1.26 -0.17 119.66 124.04 1qtf s GLN 176 Ca 0.00 -1.28 -0.22 0.00 0.02 0.00 0.00 55.36 53.88 1qtf s GLN 176 Cb 0.00 -1.95 0.06 0.00 1.00 0.00 0.00 33.01 32.12 1qtf s GLN 176 CO 0.00 0.47 0.57 1.52 -2.12 0.00 0.00 175.29 175.72 1qtf s TYR 177 N -1.03 -0.47 0.02 0.91 -0.85 -0.76 -0.22 117.35 114.96 1qtf s TYR 177 Ca 0.14 0.23 -0.16 0.00 -0.52 0.00 0.00 57.07 56.76 1qtf s TYR 177 Cb -0.10 0.51 -0.06 0.00 0.38 0.00 0.00 41.96 42.69 1qtf s TYR 177 CO 0.06 -0.84 0.45 -0.06 -1.52 0.00 0.00 175.55 173.64 1qtf s PHE 178 N -3.77 3.74 0.00 -3.49 0.08 -0.63 -3.28 117.98 110.64 1qtf s PHE 178 Ca 0.02 1.05 0.00 0.00 0.12 0.00 0.00 56.93 58.12 1qtf s PHE 178 Cb -0.01 -2.33 0.00 0.00 -0.57 0.00 0.00 43.02 40.11 1qtf s PHE 178 CO -0.12 0.63 0.00 0.41 -0.10 0.00 0.00 175.22 176.03 1qtf n GLY 179 N 1.75 2.14 3.74 4.36 0.00 -1.26 -1.42 105.19 114.50 1qtf n GLY 179 Ca -0.13 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 1qtf n GLY 179 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qtf s TYR 180 N -2.00 3.60 0.03 1.61 5.04 -1.26 -4.91 117.35 119.45 1qtf s TYR 180 Ca 0.00 1.08 -0.10 0.00 -2.44 0.00 0.00 57.07 55.61 1qtf s TYR 180 Cb 0.00 -2.61 0.01 0.00 0.35 0.00 0.00 41.96 39.71 1qtf s TYR 180 CO 0.00 0.25 0.22 0.95 -1.34 0.00 0.00 175.55 175.62 1qtf s THR 181 N 0.26 0.10 0.41 4.34 -4.23 -1.26 -4.82 115.64 110.44 1qtf s THR 181 Ca 0.30 -0.79 0.04 0.00 -1.18 0.00 0.00 61.69 60.06 1qtf s THR 181 Cb -0.17 -0.82 -0.02 0.00 1.34 0.00 0.00 72.50 72.83 1qtf s THR 181 CO 0.15 -0.44 0.12 -1.61 -0.54 0.00 0.00 174.62 172.30 1qtf s GLU 182 N -2.26 1.95 0.45 3.99 2.02 -1.26 -5.03 118.70 118.55 1qtf s GLU 182 Ca -0.07 -2.19 0.11 0.00 0.02 0.00 0.00 54.97 52.84 1qtf s GLU 182 Cb -0.02 -0.67 1.01 0.00 0.10 0.00 0.00 34.13 34.55 1qtf s GLU 182 CO -0.02 -0.47 2.07 0.28 0.02 0.00 0.00 175.26 177.14 1qtf h VAL 183 N 1.76 1.08 0.00 2.63 2.07 -1.98 -1.51 116.25 120.30 1qtf h VAL 183 Ca -0.36 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1qtf h VAL 183 Cb 1.28 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1qtf h VAL 183 CO 0.58 0.08 0.00 1.23 0.02 0.00 0.00 177.57 179.48 1qtf h GLY 184 N 0.37 0.00 1.81 2.17 0.00 -1.80 -2.98 103.07 102.64 1qtf h GLY 184 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1qtf h GLY 184 CO -0.01 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.23 1qtf n ASN 185 N -2.82 0.00 -4.65 0.19 4.13 -0.57 -3.42 115.26 108.12 1qtf n ASN 185 Ca 0.01 0.27 -0.47 0.00 1.68 0.00 0.00 54.58 56.07 1qtf n ASN 185 Cb 0.25 -0.40 -0.05 0.00 -1.54 0.00 0.00 39.78 38.04 1qtf n ASN 185 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1qtf n SER 186 N -1.40 3.43 0.00 6.41 7.64 -1.13 -0.30 113.62 128.27 1qtf n SER 186 Ca 0.07 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.80 1qtf n SER 186 Cb 0.20 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 1qtf n SER 186 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qtf n GLY 187 N 4.73 0.41 3.77 0.23 0.00 -0.71 -0.63 105.19 112.99 1qtf n GLY 187 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1qtf n GLY 187 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qtf s SER 188 N -2.32 6.48 0.12 1.61 0.01 0.59 -3.91 113.70 116.29 1qtf s SER 188 Ca 0.00 2.91 -0.23 0.00 1.31 0.00 0.00 55.95 59.94 1qtf s SER 188 Cb 0.00 -2.65 -0.07 0.00 0.21 0.00 0.00 66.02 63.50 1qtf s SER 188 CO 0.00 -0.78 0.69 -0.83 0.41 0.00 0.00 173.24 172.73 1qtf s GLY 189 N -0.09 2.81 -0.27 3.44 0.00 -1.00 0.35 107.32 112.58 1qtf s GLY 189 Ca 0.54 0.23 -0.09 0.00 0.00 0.00 0.00 44.72 45.40 1qtf s GLY 189 CO 0.57 0.74 0.13 -0.42 0.00 0.00 0.00 173.10 174.11 1qtf s ILE 190 N -1.02 4.76 0.19 0.90 1.09 0.12 -1.27 121.20 125.97 1qtf s ILE 190 Ca 0.33 -0.05 0.08 0.00 -1.10 0.00 0.00 60.65 59.91 1qtf s ILE 190 Cb -0.21 -3.26 -0.04 0.00 -1.06 0.00 0.00 42.46 37.88 1qtf s ILE 190 CO 0.23 0.28 -0.03 -0.36 -0.10 0.00 0.00 174.94 174.95 1qtf s PHE 191 N 1.68 2.75 0.46 3.97 0.40 0.37 -1.16 117.98 126.45 1qtf s PHE 191 Ca 0.06 -0.18 0.07 0.00 -0.60 0.00 0.00 56.93 56.29 1qtf s PHE 191 Cb -0.16 -1.32 0.07 0.00 0.51 0.00 0.00 43.02 42.12 1qtf s PHE 191 CO 0.07 0.53 0.57 0.27 0.70 0.00 0.00 175.22 177.36 1qtf n ASN 192 N -0.18 1.85 -0.21 1.36 2.04 -1.01 -1.81 115.26 117.30 1qtf n ASN 192 Ca -0.10 -2.29 -0.01 0.00 -0.44 0.00 0.00 54.58 51.74 1qtf n ASN 192 Cb 0.56 -0.27 0.10 0.00 -2.53 0.00 0.00 39.78 37.64 1qtf n ASN 192 CO 0.00 0.00 0.00 -0.07 -0.44 0.00 0.00 177.26 176.75 1qtf h LEU 193 N 0.00 0.41 0.00 -4.53 3.38 -1.91 0.89 115.31 113.55 1qtf h LEU 193 Ca -0.23 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1qtf h LEU 193 Cb 1.00 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1qtf h LEU 193 CO 0.34 0.26 0.00 0.29 0.09 0.00 0.00 178.44 179.42 1qtf n LYS 194 N -4.88 0.34 -1.03 1.13 5.02 -1.26 -4.80 118.16 112.69 1qtf n LYS 194 Ca 0.08 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.36 1qtf n LYS 194 Cb 0.21 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1qtf n LYS 194 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qtf n GLY 195 N -0.32 0.49 3.82 0.72 0.00 0.31 -5.03 105.19 105.18 1qtf n GLY 195 Ca 0.08 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 1qtf n GLY 195 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qtf s GLU 196 N -1.03 3.78 0.12 1.61 -1.05 -1.26 -4.72 118.70 116.15 1qtf s GLU 196 Ca 0.00 -0.05 -0.31 0.00 -0.15 0.00 0.00 54.97 54.46 1qtf s GLU 196 Cb 0.00 -3.28 -0.10 0.00 -0.44 0.00 0.00 34.13 30.31 1qtf s GLU 196 CO 0.00 0.59 1.85 -1.17 0.95 0.00 0.00 175.26 177.47 1qtf s LEU 197 N -0.52 4.40 0.00 1.83 0.20 0.13 -2.40 118.68 122.32 1qtf s LEU 197 Ca 0.15 2.76 0.00 0.00 0.69 0.00 0.00 54.13 57.72 1qtf s LEU 197 Cb -0.13 -3.56 0.00 0.00 -0.43 0.00 0.00 46.19 42.07 1qtf s LEU 197 CO 0.04 -1.01 0.39 2.30 -0.29 0.00 0.00 176.35 177.78 1qtf n ILE 198 N 4.81 0.08 0.00 6.68 -5.35 -0.31 -4.25 119.36 121.02 1qtf n ILE 198 Ca 0.18 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 1qtf n ILE 198 Cb 0.38 1.25 0.00 0.00 -1.74 0.00 0.00 39.64 39.53 1qtf n ILE 198 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1qtf n GLY 199 N -0.04 0.21 3.06 3.28 0.00 -1.22 -1.93 105.19 108.55 1qtf n GLY 199 Ca 0.00 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.83 1qtf n GLY 199 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1qtf s ILE 200 N -2.00 0.82 0.36 -0.61 -4.36 -0.79 -0.70 121.20 113.92 1qtf s ILE 200 Ca 0.00 -0.64 -0.27 0.00 -0.26 0.00 0.00 60.65 59.47 1qtf s ILE 200 Cb 0.00 -0.72 -0.09 0.00 1.25 0.00 0.00 42.46 42.89 1qtf s ILE 200 CO 0.00 0.08 1.23 -2.28 0.24 0.00 0.00 174.94 174.21 1qtf s HIS 201 N -0.53 3.08 -0.01 1.37 5.65 0.16 -0.82 115.29 124.19 1qtf s HIS 201 Ca 0.01 1.50 -0.04 0.00 0.25 0.00 0.00 55.06 56.79 1qtf s HIS 201 Cb -0.06 -3.53 -0.02 0.00 -1.18 0.00 0.00 32.58 27.79 1qtf s HIS 201 CO 0.00 -1.55 -0.08 0.45 -0.65 0.00 0.00 174.74 172.91 1qtf n SER 202 N 0.49 0.90 0.00 9.88 2.88 -0.33 -1.74 113.62 125.70 1qtf n SER 202 Ca 0.02 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1qtf n SER 202 Cb 0.44 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1qtf n SER 202 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qtf n GLY 203 N 2.83 -0.58 3.51 0.46 0.00 -0.99 -4.74 105.19 105.67 1qtf n GLY 203 Ca -0.08 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 1qtf n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qtf s LYS 204 N -0.24 3.09 0.00 1.61 1.02 -1.26 0.12 119.74 124.07 1qtf s LYS 204 Ca 0.00 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.41 1qtf s LYS 204 Cb 0.00 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 1qtf s LYS 204 CO 0.00 0.46 0.00 0.41 -0.92 0.00 0.00 175.35 175.30 1qtf n GLY 205 N 2.83 -0.81 7.00 -3.33 0.00 0.55 -4.91 105.19 106.52 1qtf n GLY 205 Ca -0.18 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1qtf n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qtf n GLY 206 N 0.00 -0.30 0.00 -0.02 0.00 -1.26 -1.91 105.19 101.69 1qtf n GLY 206 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1qtf n GLY 206 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qtf n GLN 207 N 0.00 0.00 -1.90 1.61 1.13 -1.26 -2.46 117.38 114.50 1qtf n GLN 207 Ca 0.00 0.42 -0.27 0.00 -1.94 0.00 0.00 57.00 55.20 1qtf n GLN 207 Cb 0.00 -0.74 0.03 0.00 0.11 0.00 0.00 30.24 29.64 1qtf n GLN 207 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1qtf n HIS 208 N -1.32 2.92 -4.16 1.08 8.25 -1.26 -4.92 115.22 115.81 1qtf n HIS 208 Ca 0.00 -2.48 -0.35 0.00 -0.26 0.00 0.00 57.72 54.63 1qtf n HIS 208 Cb 0.00 -0.59 -0.02 0.00 1.12 0.00 0.00 29.99 30.50 1qtf n HIS 208 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1qtf n ASN 209 N -0.73 -3.52 -4.88 0.41 2.85 -1.03 -4.95 115.26 103.42 1qtf n ASN 209 Ca 0.48 -0.96 -0.30 0.00 -0.11 0.00 0.00 54.58 53.69 1qtf n ASN 209 Cb 0.85 -2.87 0.02 0.00 1.24 0.00 0.00 39.78 39.02 1qtf n ASN 209 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1qtf s LEU 210 N -7.23 3.18 0.56 1.20 1.43 -0.81 -4.12 118.68 112.90 1qtf s LEU 210 Ca 0.73 1.28 -0.21 0.00 -1.03 0.00 0.00 54.13 54.90 1qtf s LEU 210 Cb -0.39 -4.25 -0.04 0.00 0.03 0.00 0.00 46.19 41.54 1qtf s LEU 210 CO 0.90 -0.97 1.35 -2.84 0.23 0.00 0.00 176.35 175.02 1qtf s PRO 211 N -5.18 3.03 -0.01 1.29 0.02 -1.20 -0.33 135.00 132.62 1qtf s PRO 211 Ca 0.55 2.21 0.02 0.00 0.02 0.00 0.00 61.00 63.81 1qtf s PRO 211 Cb -0.11 -2.18 -0.00 0.00 0.02 0.00 0.00 34.50 32.22 1qtf s PRO 211 CO 0.52 -1.27 -0.08 -1.50 -0.33 0.00 0.00 177.00 174.35 1qtf s ILE 212 N -1.32 0.65 0.46 2.83 2.07 0.32 -1.83 121.20 124.40 1qtf s ILE 212 Ca 0.74 -0.34 0.03 0.00 -1.41 0.00 0.00 60.65 59.67 1qtf s ILE 212 Cb -0.40 -0.55 -0.03 0.00 0.13 0.00 0.00 42.46 41.61 1qtf s ILE 212 CO 0.46 0.19 0.04 -0.83 -1.91 0.00 0.00 174.94 172.89 1qtf s GLY 213 N -0.10 2.82 -0.34 1.50 0.00 0.77 -1.19 107.32 110.78 1qtf s GLY 213 Ca 0.02 -0.89 -0.01 0.00 0.00 0.00 0.00 44.72 43.83 1qtf s GLY 213 CO -0.00 -2.08 0.07 0.14 0.00 0.00 0.00 173.10 171.23 1qtf s VAL 214 N -2.96 2.99 0.07 1.40 1.01 0.00 -4.83 120.40 118.09 1qtf s VAL 214 Ca 0.15 -1.73 -0.12 0.00 0.00 0.00 0.00 61.98 60.29 1qtf s VAL 214 Cb 0.03 -2.89 -0.06 0.00 0.00 0.00 0.00 36.38 33.46 1qtf s VAL 214 CO 0.08 -0.36 0.43 -0.36 0.00 0.00 0.00 175.10 174.89 1qtf s PHE 215 N 1.17 3.62 -1.97 5.22 0.40 -1.26 -1.88 117.98 123.28 1qtf s PHE 215 Ca 0.01 0.88 0.24 0.00 -0.60 0.00 0.00 56.93 57.46 1qtf s PHE 215 Cb -0.21 -2.22 1.41 0.00 0.51 0.00 0.00 43.02 42.51 1qtf s PHE 215 CO -0.03 0.54 1.79 1.19 0.70 0.00 0.00 175.22 179.41 1qtf n PHE 216 N 1.12 0.00 1.57 0.36 3.72 -0.81 -3.08 117.46 120.35 1qtf n PHE 216 Ca -0.09 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.45 1qtf n PHE 216 Cb 0.52 -0.01 0.59 0.00 -0.94 0.00 0.00 39.48 39.64 1qtf n PHE 216 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1qtf n ASN 217 N -1.01 1.25 -4.67 4.37 2.04 -1.26 -0.85 115.26 115.12 1qtf n ASN 217 Ca 0.18 -1.43 -0.43 0.00 -0.44 0.00 0.00 54.58 52.46 1qtf n ASN 217 Cb 0.09 -0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.31 1qtf n ASN 217 CO 0.00 0.00 0.00 -0.60 -0.44 0.00 0.00 177.26 176.22 1qtf s ARG 218 N -1.99 4.29 0.32 -3.83 6.06 -1.18 -4.79 118.95 117.84 1qtf s ARG 218 Ca 0.39 1.67 -0.28 0.00 -2.50 0.00 0.00 55.73 55.01 1qtf s ARG 218 Cb 0.21 -3.66 -0.09 0.00 0.06 0.00 0.00 34.95 31.47 1qtf s ARG 218 CO 0.34 -0.57 1.16 0.15 -2.50 0.00 0.00 175.30 173.87 1qtf s LYS 219 N 2.84 4.43 0.44 5.12 1.02 -1.26 0.19 119.74 132.52 1qtf s LYS 219 Ca 0.55 1.89 0.06 0.00 0.02 0.00 0.00 55.97 58.49 1qtf s LYS 219 Cb -0.23 -3.02 -0.06 0.00 -0.52 0.00 0.00 37.83 34.00 1qtf s LYS 219 CO 0.18 -0.00 0.04 0.96 -0.92 0.00 0.00 175.35 175.60 1qtf s ILE 220 N -1.24 1.81 0.16 2.17 -4.36 0.42 -4.84 121.20 115.33 1qtf s ILE 220 Ca 0.49 -1.95 -0.21 0.00 -0.26 0.00 0.00 60.65 58.71 1qtf s ILE 220 Cb -0.33 -2.77 -0.08 0.00 1.25 0.00 0.00 42.46 40.54 1qtf s ILE 220 CO 0.43 0.00 0.69 -0.55 0.24 0.00 0.00 174.94 175.74 1qtf s SER 221 N -3.79 7.15 0.53 4.36 0.15 -1.26 -4.13 113.70 116.71 1qtf s SER 221 Ca 0.28 1.42 0.35 0.00 0.70 0.00 0.00 55.95 58.71 1qtf s SER 221 Cb 0.07 -2.42 1.52 0.00 -1.71 0.00 0.00 66.02 63.48 1qtf s SER 221 CO 0.15 0.16 1.81 0.28 1.20 0.00 0.00 173.24 176.83 1qtf h SER 222 N 4.00 0.03 -0.79 5.45 0.02 -1.93 0.12 113.55 120.45 1qtf h SER 222 Ca -0.48 0.01 0.10 0.00 -0.84 0.00 0.00 61.79 60.57 1qtf h SER 222 Cb 1.20 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.69 1qtf h SER 222 CO 0.65 0.00 0.51 0.25 -1.14 0.00 0.00 176.83 177.11 1qtf h LEU 223 N 0.02 0.64 0.00 5.07 5.85 -1.92 -2.30 115.31 122.68 1qtf h LEU 223 Ca 0.56 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.30 1qtf h LEU 223 Cb 2.19 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 43.11 1qtf h LEU 223 CO -0.03 0.38 -0.99 -1.22 -0.34 0.00 0.00 178.44 176.25 1qtf n TYR 224 N -4.50 0.15 -2.31 1.25 4.01 0.39 -4.91 117.16 111.23 1qtf n TYR 224 Ca 0.13 0.04 -0.42 0.00 -0.16 0.00 0.00 57.90 57.49 1qtf n TYR 224 Cb 0.33 -0.31 -0.03 0.00 -0.31 0.00 0.00 39.34 39.02 1qtf n TYR 224 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1qtf s SER 225 N -3.59 6.95 0.46 7.72 0.15 -0.87 -4.90 113.70 119.63 1qtf s SER 225 Ca 0.05 2.08 0.17 0.00 0.70 0.00 0.00 55.95 58.95 1qtf s SER 225 Cb 0.15 -2.57 1.14 0.00 -1.71 0.00 0.00 66.02 63.03 1qtf s SER 225 CO 0.81 -0.60 1.99 1.62 1.20 0.00 0.00 173.24 178.25 1qtf h VAL 226 N 4.66 0.85 -0.30 4.45 3.04 -1.90 -2.48 116.25 124.58 1qtf h VAL 226 Ca -0.39 -0.10 -0.22 0.00 -1.01 0.00 0.00 66.70 64.98 1qtf h VAL 226 Cb 1.19 0.55 -0.19 0.00 -2.01 0.00 0.00 31.29 30.83 1qtf h VAL 226 CO 0.86 0.05 -0.67 -0.90 -1.01 0.00 0.00 177.57 175.91 1qtf n ASP 227 N -4.45 2.90 -3.84 3.17 5.75 -1.26 -4.97 116.55 113.84 1qtf n ASP 227 Ca 0.09 -3.70 -0.30 0.00 -0.01 0.00 0.00 54.79 50.87 1qtf n ASP 227 Cb 0.43 -0.45 -0.01 0.00 -1.03 0.00 0.00 41.12 40.06 1qtf n ASP 227 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1qtf n ASN 228 N -0.87 -3.62 -4.80 -1.12 3.02 -0.93 -4.94 115.26 102.00 1qtf n ASN 228 Ca 0.28 -0.72 -0.35 0.00 -0.03 0.00 0.00 54.58 53.75 1qtf n ASN 228 Cb 0.82 -2.97 -0.06 0.00 -0.61 0.00 0.00 39.78 36.97 1qtf n ASN 228 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1qtf s THR 229 N -3.12 4.08 -0.13 3.41 2.01 -1.26 -4.95 115.64 115.68 1qtf s THR 229 Ca 0.60 1.45 -0.04 0.00 0.31 0.00 0.00 61.69 64.01 1qtf s THR 229 Cb -0.32 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 1qtf s THR 229 CO 0.74 -0.13 0.01 0.12 -0.69 0.00 0.00 174.62 174.67 1qtf s PHE 230 N -1.90 3.17 -1.31 4.92 2.19 -1.26 -4.06 117.98 119.73 1qtf s PHE 230 Ca 0.59 0.04 -0.02 0.00 0.33 0.00 0.00 56.93 57.87 1qtf s PHE 230 Cb -0.15 -1.92 0.00 0.00 -1.31 0.00 0.00 43.02 39.64 1qtf s PHE 230 CO 0.20 0.25 0.31 0.41 1.83 0.00 0.00 175.22 178.22 1qtf n GLY 231 N 2.90 -0.29 3.96 13.12 0.00 -1.26 -5.02 105.19 118.61 1qtf n GLY 231 Ca -0.18 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 1qtf n GLY 231 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qtf s ASP 232 N -2.58 6.00 0.51 1.61 2.15 -1.26 -4.88 116.67 118.22 1qtf s ASP 232 Ca 0.15 0.18 -0.02 0.00 0.43 0.00 0.00 52.55 53.29 1qtf s ASP 232 Cb -0.07 -1.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.97 1qtf s ASP 232 CO 0.19 -0.50 0.77 0.42 -0.17 0.00 0.00 175.17 175.88 1qtf s THR 233 N -2.36 3.85 0.26 1.71 -4.23 -1.26 -0.44 115.64 113.16 1qtf s THR 233 Ca 0.45 -0.27 -0.05 0.00 -1.18 0.00 0.00 61.69 60.64 1qtf s THR 233 Cb -0.10 -3.47 0.22 0.00 1.34 0.00 0.00 72.50 70.50 1qtf s THR 233 CO 0.35 -0.40 1.89 0.25 -0.54 0.00 0.00 174.62 176.17 1qtf h LEU 234 N 0.14 1.04 0.36 4.79 6.46 -0.25 -3.05 115.31 124.81 1qtf h LEU 234 Ca -0.46 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.21 1qtf h LEU 234 Cb 1.25 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.90 1qtf h LEU 234 CO 0.59 0.83 -0.44 1.23 -0.62 0.00 0.00 178.44 180.03 1qtf h GLY 235 N 1.19 -1.19 0.48 3.75 0.00 -1.26 -1.18 103.07 104.87 1qtf h GLY 235 Ca 0.30 0.57 0.16 0.00 0.00 0.00 0.00 47.33 48.36 1qtf h GLY 235 CO -0.05 -0.35 0.57 3.43 0.00 0.00 0.00 176.54 180.14 1qtf h ASN 236 N -0.82 0.53 0.03 0.19 2.35 -1.82 0.60 115.58 116.65 1qtf h ASN 236 Ca -0.04 0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.60 1qtf h ASN 236 Cb 0.73 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 1qtf h ASN 236 CO -0.09 0.25 -0.48 -0.78 -1.65 0.00 0.00 177.43 174.67 1qtf h ASP 237 N 0.55 0.56 -0.26 5.81 3.58 -1.35 -1.29 116.42 124.02 1qtf h ASP 237 Ca 0.44 -0.28 -0.12 0.00 0.42 0.00 0.00 57.03 57.50 1qtf h ASP 237 Cb 0.89 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 1qtf h ASP 237 CO -0.19 0.96 -0.26 -0.07 -2.88 0.00 0.00 179.24 176.80 1qtf h LEU 238 N 0.41 0.77 -1.17 2.28 3.38 0.32 -2.00 115.31 119.30 1qtf h LEU 238 Ca 0.02 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 1qtf h LEU 238 Cb 1.00 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1qtf h LEU 238 CO 0.09 1.00 -0.41 0.11 0.09 0.00 0.00 178.44 179.31 1qtf h LYS 239 N 0.65 0.00 -0.22 1.13 1.57 -1.06 -1.90 116.57 116.75 1qtf h LYS 239 Ca 0.08 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.76 1qtf h LYS 239 Cb 0.77 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 1qtf h LYS 239 CO 0.06 0.41 -0.28 0.87 -0.57 0.00 0.00 179.45 179.94 1qtf h LYS 240 N 0.00 0.57 0.00 3.15 1.57 -0.90 -2.06 116.57 118.90 1qtf h LYS 240 Ca -0.00 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.42 1qtf h LYS 240 Cb 0.74 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 1qtf h LYS 240 CO 0.05 0.93 -0.14 0.00 -0.57 0.00 0.00 179.45 179.72 1qtf h ARG 241 N 0.26 0.00 0.03 3.15 3.08 -1.23 -1.88 114.38 117.79 1qtf h ARG 241 Ca 0.03 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 1qtf h ARG 241 Cb 0.86 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.92 1qtf h ARG 241 CO 0.07 0.14 -0.56 0.00 -1.07 0.00 0.00 179.97 178.55 1qtf h ALA 242 N 1.86 0.03 0.00 0.04 0.00 -1.32 -3.05 119.26 116.82 1qtf h ALA 242 Ca -0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1qtf h ALA 242 Cb 0.67 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1qtf h ALA 242 CO 0.02 0.29 -0.03 -0.22 0.00 0.00 0.00 179.25 179.31 1qtf h LYS 243 N -0.27 0.00 -0.01 0.00 3.64 -1.05 -0.97 116.57 117.91 1qtf h LYS 243 Ca -0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1qtf h LYS 243 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1qtf h LYS 243 CO 0.11 0.03 0.00 1.28 -2.27 0.00 0.00 179.45 178.60 1qtf n LEU 244 N -4.02 1.14 -4.47 5.20 4.77 -0.73 -4.71 117.00 114.18 1qtf n LEU 244 Ca -0.03 -0.38 -0.43 0.00 -0.03 0.00 0.00 56.01 55.14 1qtf n LEU 244 Cb 0.12 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 1qtf n LEU 244 CO 0.30 0.19 0.40 -0.62 -1.33 0.00 0.00 177.39 176.33 1qtf s ASP 245 N -1.99 6.26 0.00 -1.43 2.15 -0.37 -5.06 116.67 116.23 1qtf s ASP 245 Ca 0.40 -0.72 0.00 0.00 0.43 0.00 0.00 52.55 52.66 1qtf s ASP 245 Cb 0.21 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 1qtf s ASP 245 CO 0.34 -0.92 0.00 2.29 -0.17 0.00 0.00 175.17 176.72