#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qth s ASN 2 N 0.00 6.37 0.20 3.17 0.02 -1.26 -4.96 114.94 118.48 1qth s ASN 2 Ca 0.00 1.60 -0.05 0.00 -1.02 0.00 0.00 52.86 53.39 1qth s ASN 2 Cb 0.00 -2.51 0.16 0.00 0.02 0.00 0.00 41.25 38.92 1qth s ASN 2 CO 0.00 -0.76 1.60 -0.29 0.02 0.00 0.00 177.10 177.66 1qth h ILE 3 N 0.60 1.28 -0.55 0.60 6.09 -1.99 -1.42 117.51 122.11 1qth h ILE 3 Ca -0.46 -1.43 0.09 0.00 -1.37 0.00 0.00 64.86 61.69 1qth h ILE 3 Cb 1.19 1.32 -0.07 0.00 0.47 0.00 0.00 36.82 39.73 1qth h ILE 3 CO 0.61 0.47 0.16 0.15 -3.07 0.00 0.00 178.15 176.46 1qth h PHE 4 N 0.64 0.27 -0.28 2.19 3.57 -1.99 -0.06 116.94 121.28 1qth h PHE 4 Ca 0.08 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.44 1qth h PHE 4 Cb 0.81 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.51 1qth h PHE 4 CO 0.04 0.04 -0.50 0.93 -2.23 0.00 0.00 178.31 176.60 1qth h GLU 5 N 0.31 0.77 -0.78 1.11 4.39 -1.85 -2.02 114.58 116.52 1qth h GLU 5 Ca 0.27 -0.46 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 1qth h GLU 5 Cb 0.35 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 1qth h GLU 5 CO -0.31 1.09 0.39 1.98 -1.16 0.00 0.00 179.01 181.00 1qth h MET 6 N 0.60 1.11 0.00 2.33 1.85 -0.82 -2.55 114.93 117.45 1qth h MET 6 Ca 0.03 -0.15 -0.03 0.00 -0.61 0.00 0.00 59.70 58.93 1qth h MET 6 Cb 1.08 -0.21 -0.00 0.00 0.43 0.00 0.00 31.60 32.90 1qth h MET 6 CO 0.11 0.84 -0.16 -0.07 -0.40 0.00 0.00 176.91 177.23 1qth h LEU 7 N 1.09 0.00 -0.31 3.39 3.38 -0.81 0.38 115.31 122.43 1qth h LEU 7 Ca 0.27 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.06 1qth h LEU 7 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1qth h LEU 7 CO -0.04 0.16 -0.51 0.08 0.09 0.00 0.00 178.44 178.22 1qth h ARG 8 N 0.00 0.90 0.60 1.13 -0.00 -1.11 0.87 114.38 116.78 1qth h ARG 8 Ca -0.00 -0.55 -0.03 0.00 -0.00 0.00 0.00 59.98 59.40 1qth h ARG 8 Cb 0.60 0.06 -0.00 0.00 -0.00 0.00 0.00 29.97 30.62 1qth h ARG 8 CO 0.02 1.19 -0.35 0.82 -0.00 0.00 0.00 179.97 181.65 1qth h ILE 9 N 0.70 0.29 0.02 0.08 2.04 -0.97 0.90 117.51 120.57 1qth h ILE 9 Ca 0.03 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.68 1qth h ILE 9 Cb 1.12 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1qth h ILE 9 CO 0.12 0.00 -0.97 0.44 0.00 0.00 0.00 178.15 177.73 1qth h ASP 10 N -0.89 0.12 0.00 1.72 5.19 -0.92 -3.37 116.42 118.27 1qth h ASP 10 Ca -0.08 -0.12 -0.31 0.00 -0.62 0.00 0.00 57.03 55.91 1qth h ASP 10 Cb 0.71 -0.04 -0.06 0.00 0.18 0.00 0.00 39.33 40.13 1qth h ASP 10 CO 0.09 1.02 -2.18 -0.62 -3.12 0.00 0.00 179.24 174.44 1qth n GLU 11 N -3.49 0.61 0.00 3.56 -0.58 0.29 -5.05 120.64 115.99 1qth n GLU 11 Ca -0.02 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1qth n GLU 11 Cb 0.89 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 30.35 1qth n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qth n GLY 12 N 2.45 -0.32 3.34 0.62 0.00 0.31 -4.49 105.19 107.11 1qth n GLY 12 Ca -0.36 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 43.68 1qth n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qth s LEU 13 N -2.29 2.21 -0.30 0.99 2.96 -1.26 -3.79 118.68 117.21 1qth s LEU 13 Ca 0.00 -0.63 -0.07 0.00 -0.22 0.00 0.00 54.13 53.21 1qth s LEU 13 Cb 0.00 -1.21 0.18 0.00 0.50 0.00 0.00 46.19 45.66 1qth s LEU 13 CO 0.00 0.22 0.81 -0.13 -1.32 0.00 0.00 176.35 175.92 1qth s ARG 14 N -1.48 0.40 0.07 1.98 1.81 -1.13 -4.97 118.95 115.63 1qth s ARG 14 Ca 0.12 0.75 0.17 0.00 -1.72 0.00 0.00 55.73 55.05 1qth s ARG 14 Cb -0.10 0.42 0.73 0.00 -0.45 0.00 0.00 34.95 35.56 1qth s ARG 14 CO 0.03 -0.40 1.55 1.28 -0.68 0.00 0.00 175.30 177.08 1qth n LEU 15 N 5.42 0.18 -3.92 2.53 4.77 -1.26 -0.20 117.00 124.51 1qth n LEU 15 Ca -0.04 0.54 -0.19 0.00 -0.03 0.00 0.00 56.01 56.29 1qth n LEU 15 Cb 0.52 -0.52 -0.16 0.00 -2.33 0.00 0.00 43.42 40.94 1qth n LEU 15 CO -0.03 -0.32 -0.41 -0.75 -1.33 0.00 0.00 177.39 174.55 1qth s LYS 16 N -3.08 0.71 0.04 3.23 2.47 -1.26 0.13 119.74 121.98 1qth s LYS 16 Ca 0.07 -0.15 -0.28 0.00 -1.56 0.00 0.00 55.97 54.05 1qth s LYS 16 Cb 0.10 -0.71 -0.15 0.00 -1.46 0.00 0.00 37.83 35.61 1qth s LYS 16 CO 0.31 -0.00 0.71 -0.89 0.16 0.00 0.00 175.35 175.63 1qth n ILE 17 N 3.64 0.39 -3.68 5.43 5.41 -1.14 -4.84 119.36 124.56 1qth n ILE 17 Ca -0.21 -0.10 -0.15 0.00 1.00 0.00 0.00 62.75 63.29 1qth n ILE 17 Cb 0.53 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.38 1qth n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1qth s TYR 18 N -0.19 -0.35 0.29 1.39 -0.85 0.49 -4.93 117.35 113.20 1qth s TYR 18 Ca 0.64 0.57 -0.29 0.00 -0.52 0.00 0.00 57.07 57.47 1qth s TYR 18 Cb -0.90 0.20 -0.10 0.00 0.38 0.00 0.00 41.96 41.55 1qth s TYR 18 CO 0.43 -0.46 1.13 0.15 -1.52 0.00 0.00 175.55 175.28 1qth s LYS 19 N -1.25 4.59 0.00 -3.49 1.02 -1.25 0.18 119.74 119.53 1qth s LYS 19 Ca -0.12 1.86 0.00 0.00 0.02 0.00 0.00 55.97 57.73 1qth s LYS 19 Cb -0.03 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 1qth s LYS 19 CO 0.06 0.15 0.00 -0.40 -0.92 0.00 0.00 175.35 174.24 1qth n ASP 20 N 1.11 0.00 -0.22 2.83 5.75 0.39 -4.75 116.55 121.66 1qth n ASP 20 Ca -0.01 -0.95 0.07 0.00 -0.01 0.00 0.00 54.79 53.88 1qth n ASP 20 Cb 0.44 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.67 1qth n ASP 20 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1qth n THR 21 N -1.33 -0.27 1.13 2.12 -2.24 -1.26 0.38 114.28 112.81 1qth n THR 21 Ca 0.00 1.43 0.12 0.00 -2.27 0.00 0.00 64.05 63.33 1qth n THR 21 Cb 0.00 -2.03 0.20 0.00 -2.10 0.00 0.00 70.33 66.40 1qth n THR 21 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qth n GLU 22 N -4.93 0.95 -0.06 -0.78 4.71 -1.26 -4.98 120.64 114.29 1qth n GLU 22 Ca 0.13 -0.68 0.00 0.00 -0.01 0.00 0.00 57.16 56.59 1qth n GLU 22 Cb 0.41 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.35 1qth n GLU 22 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1qth n GLY 23 N 1.38 0.53 3.77 0.62 0.00 1.21 -5.06 105.19 107.63 1qth n GLY 23 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1qth n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qth s TYR 24 N -2.13 3.32 -0.05 1.61 4.12 -1.25 -4.18 117.35 118.80 1qth s TYR 24 Ca 0.00 1.61 -0.30 0.00 0.02 0.00 0.00 57.07 58.41 1qth s TYR 24 Cb 0.00 -3.35 -0.05 0.00 -1.52 0.00 0.00 41.96 37.04 1qth s TYR 24 CO 0.00 -0.95 1.52 0.71 0.02 0.00 0.00 175.55 176.85 1qth s TYR 25 N -1.30 2.40 0.33 2.71 1.51 -1.17 0.15 117.35 121.99 1qth s TYR 25 Ca 0.50 0.51 0.03 0.00 -1.01 0.00 0.00 57.07 57.11 1qth s TYR 25 Cb -0.31 -3.78 -0.05 0.00 -0.11 0.00 0.00 41.96 37.71 1qth s TYR 25 CO 0.40 -3.10 0.09 0.99 -1.11 0.00 0.00 175.55 172.82 1qth s THR 26 N 3.38 0.90 0.29 -0.71 2.01 0.13 0.40 115.64 122.03 1qth s THR 26 Ca 0.68 -2.00 -0.11 0.00 0.31 0.00 0.00 61.69 60.57 1qth s THR 26 Cb -0.31 -2.64 0.04 0.00 0.01 0.00 0.00 72.50 69.60 1qth s THR 26 CO 0.26 0.00 0.58 0.00 -0.69 0.00 0.00 174.62 174.77 1qth n ILE 27 N -0.70 0.00 0.00 1.82 3.06 -0.60 -0.38 119.36 122.56 1qth n ILE 27 Ca -0.03 -0.74 0.00 0.00 -2.50 0.00 0.00 62.75 59.48 1qth n ILE 27 Cb 0.66 0.73 0.00 0.00 0.54 0.00 0.00 39.64 41.57 1qth n ILE 27 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1qth n GLY 28 N -0.39 1.06 3.45 4.50 0.00 0.72 -1.74 105.19 112.79 1qth n GLY 28 Ca -0.06 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 1qth n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qth s ILE 29 N 0.00 4.56 -1.63 -0.61 1.01 -1.26 -2.82 121.20 120.44 1qth s ILE 29 Ca 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 60.65 59.55 1qth s ILE 29 Cb 0.00 -4.74 0.01 0.00 0.01 0.00 0.00 42.46 37.74 1qth s ILE 29 CO 0.00 -1.48 0.37 0.61 0.00 0.00 0.00 174.94 174.44 1qth n GLY 30 N 5.47 -0.51 3.56 6.18 0.00 -1.24 -4.87 105.19 113.77 1qth n GLY 30 Ca 0.12 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1qth n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1qth s HIS 31 N -3.11 3.02 -0.17 1.61 2.46 -0.71 -4.97 115.29 113.41 1qth s HIS 31 Ca 0.19 0.33 -0.29 0.00 0.47 0.00 0.00 55.06 55.75 1qth s HIS 31 Cb -0.08 -3.64 -0.00 0.00 -0.13 0.00 0.00 32.58 28.72 1qth s HIS 31 CO 0.23 -0.93 1.02 -1.17 -2.47 0.00 0.00 174.74 171.42 1qth s LEU 32 N 3.32 4.17 -0.20 8.88 1.98 -1.26 -1.55 118.68 134.01 1qth s LEU 32 Ca 0.32 1.44 -0.19 0.00 -2.89 0.00 0.00 54.13 52.81 1qth s LEU 32 Cb -0.12 -3.54 -0.16 0.00 0.66 0.00 0.00 46.19 43.03 1qth s LEU 32 CO 0.22 -0.56 0.11 0.18 -1.89 0.00 0.00 176.35 174.40 1qth n LEU 33 N 5.70 1.86 -3.49 -0.68 4.77 0.16 -4.98 117.00 120.34 1qth n LEU 33 Ca 0.10 0.45 -0.13 0.00 -0.03 0.00 0.00 56.01 56.40 1qth n LEU 33 Cb 0.47 -0.94 -0.04 0.00 -2.33 0.00 0.00 43.42 40.59 1qth n LEU 33 CO 0.52 0.18 0.53 0.28 -1.33 0.00 0.00 177.39 177.57 1qth s THR 34 N -2.36 0.00 -0.00 -5.08 -1.32 -1.21 -4.95 115.64 100.71 1qth s THR 34 Ca -0.28 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.18 1qth s THR 34 Cb 0.06 -1.00 -0.27 0.00 -1.51 0.00 0.00 72.50 69.78 1qth s THR 34 CO 0.53 0.00 0.84 0.50 -2.21 0.00 0.00 174.62 174.27 1qth h LYS 35 N 2.42 0.24 -6.61 7.08 1.63 -1.96 -3.08 116.57 116.29 1qth h LYS 35 Ca -0.27 -0.41 -0.59 0.00 -0.85 0.00 0.00 60.65 58.53 1qth h LYS 35 Cb 1.22 0.15 0.11 0.00 -0.60 0.00 0.00 32.23 33.11 1qth h LYS 35 CO 0.36 1.10 0.33 0.43 -3.45 0.00 0.00 179.45 178.21 1qth n SER 36 N -3.44 2.05 -3.13 4.20 7.64 -1.26 -4.88 113.62 114.80 1qth n SER 36 Ca -0.17 1.19 -0.35 0.00 1.01 0.00 0.00 58.87 60.55 1qth n SER 36 Cb 1.04 -1.39 -0.04 0.00 -1.01 0.00 0.00 64.21 62.81 1qth n SER 36 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1qth n PRO 37 N 0.66 3.68 -3.60 1.43 -0.04 -1.26 -4.79 135.00 131.08 1qth n PRO 37 Ca 0.07 -2.46 -0.27 0.00 -0.04 0.00 0.00 63.50 60.80 1qth n PRO 37 Cb 0.34 -2.59 -0.17 0.00 -0.04 0.00 0.00 33.50 31.04 1qth n PRO 37 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1qth s SER 38 N 1.44 2.55 0.46 3.54 0.15 -1.26 -4.98 113.70 115.60 1qth s SER 38 Ca 0.64 -0.73 0.16 0.00 0.70 0.00 0.00 55.95 56.72 1qth s SER 38 Cb 0.22 -0.26 1.12 0.00 -1.71 0.00 0.00 66.02 65.38 1qth s SER 38 CO -0.08 -0.36 1.99 0.25 1.20 0.00 0.00 173.24 176.24 1qth h LEU 39 N 8.42 0.28 -0.94 3.45 6.46 -2.00 0.19 115.31 131.17 1qth h LEU 39 Ca -0.16 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.54 1qth h LEU 39 Cb 1.13 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.98 1qth h LEU 39 CO 0.32 0.16 0.00 0.78 -0.62 0.00 0.00 178.44 179.08 1qth h ASN 40 N 0.31 0.75 0.00 1.25 2.35 -1.97 -1.30 115.58 116.97 1qth h ASN 40 Ca 0.26 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.73 1qth h ASN 40 Cb 0.63 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1qth h ASN 40 CO -0.06 0.81 -0.32 0.00 -1.65 0.00 0.00 177.43 176.21 1qth h ALA 41 N 1.27 1.03 0.76 -0.83 0.00 -1.06 -2.81 119.26 117.62 1qth h ALA 41 Ca 0.14 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1qth h ALA 41 Cb 0.44 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1qth h ALA 41 CO 0.02 0.59 -0.36 0.00 0.00 0.00 0.00 179.25 179.49 1qth h ALA 42 N 1.26 -1.02 -0.95 0.00 0.00 -0.41 -2.88 119.26 115.27 1qth h ALA 42 Ca 0.05 -0.23 0.21 0.00 0.00 0.00 0.00 54.91 54.93 1qth h ALA 42 Cb 0.76 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 18.87 1qth h ALA 42 CO 0.06 -1.02 0.61 0.87 0.00 0.00 0.00 179.25 179.77 1qth h LYS 43 N -1.11 0.48 -0.14 0.00 1.57 -1.25 0.17 116.57 116.28 1qth h LYS 43 Ca -0.10 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.52 1qth h LYS 43 Cb 0.80 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1qth h LYS 43 CO 0.17 0.31 -0.45 0.66 -0.57 0.00 0.00 179.45 179.57 1qth h SER 44 N 0.49 0.36 -0.11 0.86 4.64 -1.41 0.14 113.55 118.52 1qth h SER 44 Ca 0.51 -0.17 -0.13 0.00 -0.47 0.00 0.00 61.79 61.53 1qth h SER 44 Cb 1.15 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1qth h SER 44 CO -0.23 0.77 -0.45 -0.33 -0.87 0.00 0.00 176.83 175.72 1qth h GLU 45 N 0.27 0.50 -0.12 4.77 4.39 -0.97 0.22 114.58 123.64 1qth h GLU 45 Ca 0.02 -0.39 0.02 0.00 0.34 0.00 0.00 59.36 59.35 1qth h GLU 45 Cb 0.91 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.60 1qth h GLU 45 CO 0.08 1.02 -0.27 1.25 -1.16 0.00 0.00 179.01 179.93 1qth h LEU 46 N 0.09 -0.86 -0.39 1.33 5.85 -0.90 1.58 115.31 122.01 1qth h LEU 46 Ca -0.02 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.88 1qth h LEU 46 Cb 1.09 0.34 -0.08 0.00 0.37 0.00 0.00 40.66 42.38 1qth h LEU 46 CO 0.09 -0.22 -0.10 0.44 -0.34 0.00 0.00 178.44 178.32 1qth h ASP 47 N -0.24 -0.38 -0.69 1.25 5.19 -0.71 0.13 116.42 120.98 1qth h ASP 47 Ca 0.02 0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1qth h ASP 47 Cb 0.31 0.25 -0.03 0.00 0.18 0.00 0.00 39.33 40.03 1qth h ASP 47 CO -0.24 -0.13 0.41 0.07 -3.12 0.00 0.00 179.24 176.22 1qth h LYS 48 N -0.00 0.94 0.00 3.56 2.10 0.71 0.84 116.57 124.71 1qth h LYS 48 Ca 0.19 -0.09 -0.00 0.00 -2.00 0.00 0.00 60.65 58.75 1qth h LYS 48 Cb 0.29 -0.20 -0.00 0.00 -0.90 0.00 0.00 32.23 31.43 1qth h LYS 48 CO -0.41 0.67 -0.00 0.00 -2.00 0.00 0.00 179.45 177.71 1qth h ALA 49 N 1.21 1.00 0.02 0.07 0.00 0.42 -2.63 119.26 119.35 1qth h ALA 49 Ca 0.25 -0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.77 1qth h ALA 49 Cb -0.02 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1qth h ALA 49 CO -0.05 0.00 -2.39 -0.89 0.00 0.00 0.00 179.25 175.92 1qth n ILE 50 N -3.08 1.52 -2.20 0.00 -0.00 0.27 -5.02 119.36 110.85 1qth n ILE 50 Ca -0.03 -0.61 0.00 0.00 -0.00 0.00 0.00 62.75 62.11 1qth n ILE 50 Cb 0.07 -1.37 0.00 0.00 -0.00 0.00 0.00 39.64 38.35 1qth n ILE 50 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1qth n GLY 51 N 2.16 0.88 3.55 7.39 0.00 0.28 -5.07 105.19 114.38 1qth n GLY 51 Ca -0.42 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 1qth n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qth s ARG 52 N -4.42 0.65 -0.62 1.61 1.70 -1.09 -5.06 118.95 111.72 1qth s ARG 52 Ca 0.00 -0.09 -0.28 0.00 -0.47 0.00 0.00 55.73 54.89 1qth s ARG 52 Cb 0.00 0.30 0.02 0.00 -0.57 0.00 0.00 34.95 34.70 1qth s ARG 52 CO 0.00 -0.25 1.30 -0.80 -1.08 0.00 0.00 175.30 174.47 1qth s ASN 53 N -1.87 6.24 -0.08 -2.89 0.02 -1.26 -4.20 114.94 110.90 1qth s ASN 53 Ca 0.03 0.01 0.19 0.00 -1.02 0.00 0.00 52.86 52.07 1qth s ASN 53 Cb -0.01 -2.55 -0.29 0.00 0.02 0.00 0.00 41.25 38.42 1qth s ASN 53 CO -0.04 -1.68 0.32 0.35 0.02 0.00 0.00 177.10 176.08 1qth n THR 54 N 6.66 0.42 -3.98 1.60 -2.24 -1.26 -4.99 114.28 110.49 1qth n THR 54 Ca 0.08 -0.57 -0.27 0.00 -2.27 0.00 0.00 64.05 61.02 1qth n THR 54 Cb 0.49 -0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 1qth n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1qth n ASN 55 N -2.37 -0.75 0.00 3.42 5.15 -1.26 -0.04 115.26 119.41 1qth n ASN 55 Ca -0.12 -1.05 0.00 0.00 -0.60 0.00 0.00 54.58 52.80 1qth n ASN 55 Cb 0.72 -2.86 0.00 0.00 -0.53 0.00 0.00 39.78 37.11 1qth n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qth n GLY 56 N -2.03 2.25 3.55 8.20 0.00 -1.26 -4.99 105.19 110.90 1qth n GLY 56 Ca -0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 1qth n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qth s VAL 57 N -2.76 5.28 0.41 1.61 1.01 0.94 -2.90 120.40 124.00 1qth s VAL 57 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 61.97 1qth s VAL 57 Cb 0.00 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1qth s VAL 57 CO 0.00 0.05 0.27 0.27 0.00 0.00 0.00 175.10 175.69 1qth s ILE 58 N 1.77 2.47 -0.26 2.22 -4.36 0.35 -4.72 121.20 118.68 1qth s ILE 58 Ca 0.07 -1.53 0.00 0.00 -0.26 0.00 0.00 60.65 58.93 1qth s ILE 58 Cb -0.17 -3.00 0.04 0.00 1.25 0.00 0.00 42.46 40.58 1qth s ILE 58 CO 0.11 0.00 -0.08 0.28 0.24 0.00 0.00 174.94 175.49 1qth s THR 59 N -2.54 2.56 0.00 8.37 -1.32 -1.26 -4.80 115.64 116.65 1qth s THR 59 Ca 0.44 -1.30 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 1qth s THR 59 Cb 0.01 -2.38 0.00 0.00 -1.51 0.00 0.00 72.50 68.61 1qth s THR 59 CO 0.25 0.09 0.00 1.17 -2.21 0.00 0.00 174.62 173.92 1qth n LYS 60 N 4.57 0.00 -0.62 7.08 3.00 -1.26 0.52 118.16 131.45 1qth n LYS 60 Ca -0.15 0.00 0.49 0.00 -0.00 0.00 0.00 58.31 58.64 1qth n LYS 60 Cb 0.45 0.00 0.77 0.00 0.00 0.00 0.00 35.03 36.25 1qth n LYS 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1qth n ASP 61 N 0.00 0.08 0.10 3.14 8.00 -1.26 0.17 116.55 126.77 1qth n ASP 61 Ca 0.00 1.14 -0.04 0.00 0.71 0.00 0.00 54.79 56.60 1qth n ASP 61 Cb 0.00 -0.57 -0.02 0.00 -0.02 0.00 0.00 41.12 40.51 1qth n ASP 61 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1qth h GLU 62 N 0.00 -0.28 -0.34 -1.24 5.08 1.23 -2.39 114.58 116.65 1qth h GLU 62 Ca 0.92 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 59.33 1qth h GLU 62 Cb 3.43 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 32.70 1qth h GLU 62 CO -0.18 -0.19 -0.20 0.00 -1.00 0.00 0.00 179.01 177.44 1qth n ALA 63 N -2.43 -0.22 -0.36 3.43 0.00 0.44 -0.68 120.51 120.70 1qth n ALA 63 Ca -0.04 0.29 -0.09 0.00 0.00 0.00 0.00 53.44 53.60 1qth n ALA 63 Cb 0.11 0.25 -0.09 0.00 0.00 0.00 0.00 19.45 19.72 1qth n ALA 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1qth n GLU 64 N -3.74 -0.38 -0.28 0.00 -0.58 0.26 -0.06 120.64 115.86 1qth n GLU 64 Ca 0.01 1.41 0.02 0.00 -0.42 0.00 0.00 57.16 58.18 1qth n GLU 64 Cb 0.09 -2.08 0.16 0.00 -0.57 0.00 0.00 31.44 29.04 1qth n GLU 64 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1qth h LYS 65 N 0.00 0.74 0.00 3.49 3.11 -0.69 -2.30 116.57 120.92 1qth h LYS 65 Ca 0.14 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.93 1qth h LYS 65 Cb 0.35 -0.17 0.00 0.00 -1.00 0.00 0.00 32.23 31.41 1qth h LYS 65 CO -0.80 0.49 0.00 1.28 -2.81 0.00 0.00 179.45 177.61 1qth n LEU 66 N -4.76 0.00 -0.36 5.20 4.77 0.91 -1.35 117.00 121.41 1qth n LEU 66 Ca 0.13 0.94 0.05 0.00 -0.03 0.00 0.00 56.01 57.10 1qth n LEU 66 Cb 0.27 -0.44 0.13 0.00 -2.33 0.00 0.00 43.42 41.05 1qth n LEU 66 CO 0.27 -0.44 0.65 0.33 -1.33 0.00 0.00 177.39 176.86 1qth n PHE 67 N -2.38 0.33 -0.33 -1.77 7.35 -0.83 0.22 117.46 120.06 1qth n PHE 67 Ca 0.00 1.21 0.01 0.00 -0.76 0.00 0.00 57.45 57.91 1qth n PHE 67 Cb 0.00 -1.06 0.15 0.00 0.35 0.00 0.00 39.48 38.92 1qth n PHE 67 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 1qth h ASN 68 N 0.00 0.89 0.47 -2.13 -1.24 -1.23 2.09 115.58 114.42 1qth h ASN 68 Ca 0.46 0.02 -0.06 0.00 0.71 0.00 0.00 56.30 57.43 1qth h ASN 68 Cb 0.71 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.58 1qth h ASN 68 CO -1.01 0.56 -0.30 0.06 -1.29 0.00 0.00 177.43 175.45 1qth h GLN 69 N 1.02 0.00 -0.00 6.67 3.07 0.40 -0.31 115.11 125.96 1qth h GLN 69 Ca 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 59.13 1qth h GLN 69 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.74 1qth h GLN 69 CO -0.18 0.30 -0.00 -0.44 0.09 0.00 0.00 178.83 178.60 1qth h ASP 70 N 0.00 0.01 -0.68 0.06 3.32 0.15 -2.93 116.42 116.34 1qth h ASP 70 Ca -0.00 -0.58 0.07 0.00 0.02 0.00 0.00 57.03 56.53 1qth h ASP 70 Cb 0.62 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.11 1qth h ASP 70 CO 0.04 0.59 0.37 0.58 -1.72 0.00 0.00 179.24 179.09 1qth h VAL 71 N -0.57 0.94 -0.57 -1.35 2.07 0.35 -2.56 116.25 114.55 1qth h VAL 71 Ca 0.00 -0.23 0.10 0.00 0.82 0.00 0.00 66.70 67.39 1qth h VAL 71 Cb 0.59 0.21 -0.11 0.00 -1.52 0.00 0.00 31.29 30.46 1qth h VAL 71 CO 0.00 0.12 -0.38 -0.78 0.02 0.00 0.00 177.57 176.55 1qth h ASP 72 N 0.67 -1.31 -0.37 0.57 3.58 -0.98 -0.95 116.42 117.63 1qth h ASP 72 Ca 0.31 0.23 0.04 0.00 0.42 0.00 0.00 57.03 58.04 1qth h ASP 72 Cb 0.23 0.62 -0.07 0.00 1.72 0.00 0.00 39.33 41.83 1qth h ASP 72 CO -0.20 -0.32 -0.49 0.00 -2.88 0.00 0.00 179.24 175.34 1qth h ALA 73 N 0.80 -0.72 -0.92 -0.78 0.00 -1.28 -1.44 119.26 114.92 1qth h ALA 73 Ca 0.20 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.32 1qth h ALA 73 Cb 0.56 1.08 -0.12 0.00 0.00 0.00 0.00 17.79 19.32 1qth h ALA 73 CO -0.68 -0.96 0.47 0.00 0.00 0.00 0.00 179.25 178.09 1qth h ALA 74 N -0.20 1.51 -0.03 0.00 0.00 -1.42 0.37 119.26 119.49 1qth h ALA 74 Ca 0.06 0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 1qth h ALA 74 Cb 0.52 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1qth h ALA 74 CO -0.53 -0.24 -0.90 -0.24 0.00 0.00 0.00 179.25 177.35 1qth h VAL 75 N 0.53 1.36 -0.08 0.00 3.04 -0.62 -2.13 116.25 118.35 1qth h VAL 75 Ca 0.56 -2.30 -0.10 0.00 -1.01 0.00 0.00 66.70 63.85 1qth h VAL 75 Cb 0.99 2.30 0.00 0.00 -2.01 0.00 0.00 31.29 32.58 1qth h VAL 75 CO -0.46 0.70 -0.35 0.03 -1.01 0.00 0.00 177.57 176.48 1qth h ARG 76 N 0.30 0.38 -1.20 4.17 3.08 -0.68 -0.78 114.38 119.64 1qth h ARG 76 Ca -0.08 -0.30 0.35 0.00 0.07 0.00 0.00 59.98 60.02 1qth h ARG 76 Cb 1.53 0.06 -0.09 0.00 0.08 0.00 0.00 29.97 31.55 1qth h ARG 76 CO 0.16 0.93 0.81 0.78 -1.07 0.00 0.00 179.97 181.59 1qth h GLY 77 N -0.09 0.77 1.11 0.04 0.00 -0.26 2.73 103.07 107.36 1qth h GLY 77 Ca -0.02 -0.11 -0.20 0.00 0.00 0.00 0.00 47.33 47.00 1qth h GLY 77 CO 0.07 -0.14 -0.68 -2.22 0.00 0.00 0.00 176.54 173.57 1qth h ILE 78 N 0.18 1.29 0.00 2.60 2.04 -1.00 -2.58 117.51 120.04 1qth h ILE 78 Ca 0.65 -1.89 0.00 0.00 1.00 0.00 0.00 64.86 64.62 1qth h ILE 78 Cb 2.11 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 40.16 1qth h ILE 78 CO -0.21 0.60 0.00 0.18 0.00 0.00 0.00 178.15 178.72 1qth n LEU 79 N -4.02 0.51 -0.01 1.44 4.77 0.88 -2.47 117.00 118.11 1qth n LEU 79 Ca -0.07 0.61 0.09 0.00 -0.03 0.00 0.00 56.01 56.61 1qth n LEU 79 Cb 0.70 -0.52 -0.13 0.00 -2.33 0.00 0.00 43.42 41.13 1qth n LEU 79 CO 0.51 -0.42 -0.62 0.54 -1.33 0.00 0.00 177.39 176.07 1qth n ARG 80 N -2.05 0.64 -2.77 3.23 1.74 0.66 -4.95 116.66 113.16 1qth n ARG 80 Ca 0.03 -0.14 -0.42 0.00 -0.77 0.00 0.00 57.85 56.55 1qth n ARG 80 Cb 0.25 -1.41 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 1qth n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1qth s ASN 81 N -3.86 7.23 0.20 0.55 3.84 -0.98 -4.96 114.94 116.98 1qth s ASN 81 Ca -0.05 1.50 -0.07 0.00 0.21 0.00 0.00 52.86 54.46 1qth s ASN 81 Cb 0.12 -2.53 0.14 0.00 -0.55 0.00 0.00 41.25 38.43 1qth s ASN 81 CO 0.74 -0.31 1.66 0.00 -2.79 0.00 0.00 177.10 176.39 1qth h ALA 82 N 6.95 0.89 -0.33 1.71 0.00 -1.92 -0.11 119.26 126.44 1qth h ALA 82 Ca -0.37 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.10 1qth h ALA 82 Cb 1.18 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1qth h ALA 82 CO 0.79 0.65 -0.27 0.87 0.00 0.00 0.00 179.25 181.29 1qth h LYS 83 N 0.87 0.77 0.17 0.00 1.57 -1.93 -3.37 116.57 114.65 1qth h LYS 83 Ca 0.15 -0.38 -0.27 0.00 -1.87 0.00 0.00 60.65 58.27 1qth h LYS 83 Cb 0.59 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.92 1qth h LYS 83 CO 0.04 1.01 -1.27 -0.07 -0.57 0.00 0.00 179.45 178.59 1qth h LEU 84 N 0.54 0.57 -0.60 2.94 3.38 -1.80 -3.35 115.31 117.00 1qth h LEU 84 Ca 0.06 -0.92 0.09 0.00 0.09 0.00 0.00 57.88 57.20 1qth h LEU 84 Cb 0.84 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.29 1qth h LEU 84 CO 0.07 1.59 -0.43 0.50 0.09 0.00 0.00 178.44 180.26 1qth h LYS 85 N -0.16 -0.20 -0.59 1.13 3.64 -0.93 0.48 116.57 119.93 1qth h LYS 85 Ca -0.24 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1qth h LYS 85 Cb 1.87 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.71 1qth h LYS 85 CO 0.17 -0.14 0.37 -1.00 -2.27 0.00 0.00 179.45 176.58 1qth h PRO 86 N -0.21 0.79 -0.69 1.90 0.13 -1.78 1.14 132.00 133.28 1qth h PRO 86 Ca 0.19 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.24 1qth h PRO 86 Cb 0.56 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.49 1qth h PRO 86 CO -0.70 0.55 0.35 0.28 -0.23 0.00 0.00 178.00 178.25 1qth h VAL 87 N 0.80 1.22 -0.19 1.56 2.07 -1.36 -1.60 116.25 118.75 1qth h VAL 87 Ca 0.21 -0.58 -0.19 0.00 0.82 0.00 0.00 66.70 66.96 1qth h VAL 87 Cb -0.05 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1qth h VAL 87 CO -0.04 0.25 -0.65 0.22 0.02 0.00 0.00 177.57 177.37 1qth h TYR 88 N 0.97 0.89 0.00 1.57 3.20 0.15 -2.13 116.97 121.61 1qth h TYR 88 Ca 0.24 -0.35 -0.02 0.00 3.14 0.00 0.00 58.73 61.74 1qth h TYR 88 Cb 0.07 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 1qth h TYR 88 CO 0.01 1.14 -0.10 -0.44 -1.64 0.00 0.00 178.16 177.13 1qth h ASP 89 N 0.50 0.00 0.47 -2.11 3.45 0.14 -2.76 116.42 116.11 1qth h ASP 89 Ca -0.01 0.00 -0.30 0.00 0.43 0.00 0.00 57.03 57.14 1qth h ASP 89 Cb 1.24 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.00 1qth h ASP 89 CO 0.13 0.10 -1.51 0.77 -1.57 0.00 0.00 179.24 177.16 1qth h SER 90 N 0.00 0.38 -4.19 6.45 4.64 -0.74 -3.48 113.55 116.61 1qth h SER 90 Ca -0.00 -0.52 -0.50 0.00 -0.47 0.00 0.00 61.79 60.29 1qth h SER 90 Cb 0.48 -0.12 0.16 0.00 -0.31 0.00 0.00 62.40 62.60 1qth h SER 90 CO 0.01 1.43 0.26 -0.76 -0.87 0.00 0.00 176.83 176.91 1qth s LEU 91 N -6.97 2.69 0.65 5.97 1.43 -0.85 -5.05 118.68 116.53 1qth s LEU 91 Ca -0.09 1.82 -0.11 0.00 -1.03 0.00 0.00 54.13 54.72 1qth s LEU 91 Cb 0.07 -4.33 -0.02 0.00 0.03 0.00 0.00 46.19 41.93 1qth s LEU 91 CO 0.85 -2.56 1.04 1.51 0.23 0.00 0.00 176.35 177.42 1qth s ASP 92 N -3.17 5.92 0.30 2.29 1.47 -1.26 -4.82 116.67 117.40 1qth s ASP 92 Ca 0.63 1.50 0.08 0.00 1.18 0.00 0.00 52.55 55.94 1qth s ASP 92 Cb -0.19 -2.48 0.88 0.00 -0.34 0.00 0.00 42.92 40.79 1qth s ASP 92 CO 0.57 -1.08 1.42 0.00 0.68 0.00 0.00 175.17 176.77 1qth n ALA 93 N -2.87 0.63 -0.03 2.11 0.00 -1.26 -2.44 120.51 116.65 1qth n ALA 93 Ca 0.07 0.96 -0.15 0.00 0.00 0.00 0.00 53.44 54.32 1qth n ALA 93 Cb 0.54 -0.78 -0.10 0.00 0.00 0.00 0.00 19.45 19.10 1qth n ALA 93 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1qth h VAL 94 N 0.00 1.47 -0.25 0.00 -1.51 -1.92 -3.21 116.25 110.83 1qth h VAL 94 Ca 0.63 -1.71 -0.08 0.00 -1.23 0.00 0.00 66.70 64.30 1qth h VAL 94 Cb 1.45 2.46 -0.01 0.00 -2.13 0.00 0.00 31.29 33.06 1qth h VAL 94 CO -0.80 0.48 -0.20 0.03 -1.23 0.00 0.00 177.57 175.84 1qth h ARG 95 N -0.35 0.45 -0.52 5.19 3.08 -1.79 -2.03 114.38 118.41 1qth h ARG 95 Ca -0.02 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1qth h ARG 95 Cb 0.89 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.88 1qth h ARG 95 CO 0.05 0.64 0.34 0.00 -1.07 0.00 0.00 179.97 179.92 1qth h ARG 96 N 0.41 0.69 0.08 0.04 3.08 -1.61 -1.90 114.38 115.17 1qth h ARG 96 Ca 0.07 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1qth h ARG 96 Cb 0.59 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1qth h ARG 96 CO 0.04 0.47 -0.04 0.00 -1.07 0.00 0.00 179.97 179.37 1qth h ALA 97 N 1.66 -0.11 -0.43 0.04 0.00 -1.37 0.49 119.26 119.54 1qth h ALA 97 Ca 0.19 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1qth h ALA 97 Cb -0.07 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1qth h ALA 97 CO -0.04 -0.52 0.06 0.52 0.00 0.00 0.00 179.25 179.27 1qth h MET 98 N -0.20 0.18 0.10 0.00 2.86 -1.20 0.21 114.93 116.89 1qth h MET 98 Ca -0.01 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1qth h MET 98 Cb 0.16 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 1qth h MET 98 CO 0.02 0.12 -0.35 1.25 1.06 0.00 0.00 176.91 179.01 1qth h LEU 99 N 0.19 -1.02 -1.66 1.22 5.85 -0.98 0.40 115.31 119.31 1qth h LEU 99 Ca 0.21 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 59.01 1qth h LEU 99 Cb 0.27 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1qth h LEU 99 CO -0.29 -0.43 -0.19 0.40 -0.34 0.00 0.00 178.44 177.59 1qth h ILE 100 N -0.57 1.03 -0.15 4.05 2.04 -0.57 -1.01 117.51 122.34 1qth h ILE 100 Ca 0.03 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.26 1qth h ILE 100 Cb 0.61 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 1qth h ILE 100 CO -0.22 0.19 -0.12 -1.13 0.00 0.00 0.00 178.15 176.87 1qth h ASN 101 N 0.00 -0.37 -0.24 1.72 -0.73 0.20 0.33 115.58 116.48 1qth h ASN 101 Ca -0.00 0.08 0.05 0.00 1.87 0.00 0.00 56.30 58.30 1qth h ASN 101 Cb 0.36 0.19 -0.05 0.00 0.27 0.00 0.00 38.32 39.09 1qth h ASN 101 CO 0.02 -0.16 -0.08 0.24 -0.37 0.00 0.00 177.43 177.09 1qth h MET 102 N -0.13 -0.03 0.00 6.67 2.86 0.56 -1.77 114.93 123.10 1qth h MET 102 Ca 0.10 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 1qth h MET 102 Cb 0.27 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1qth h MET 102 CO -0.23 -0.02 -0.32 -0.39 1.06 0.00 0.00 176.91 177.01 1qth h VAL 103 N -0.03 0.85 -0.12 -2.22 -1.51 -0.76 0.36 116.25 112.81 1qth h VAL 103 Ca 0.12 -1.29 -0.03 0.00 -1.23 0.00 0.00 66.70 64.27 1qth h VAL 103 Cb 0.21 1.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.15 1qth h VAL 103 CO -0.26 0.31 -0.05 0.15 -1.23 0.00 0.00 177.57 176.49 1qth h PHE 104 N 0.00 0.17 0.00 5.19 3.57 0.48 -1.45 116.94 124.90 1qth h PHE 104 Ca -0.00 -0.01 -0.28 0.00 3.53 0.00 0.00 57.97 61.21 1qth h PHE 104 Cb 0.76 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.40 1qth h PHE 104 CO 0.00 0.24 -1.96 0.94 -2.23 0.00 0.00 178.31 175.30 1qth n GLN 105 N -4.37 0.66 0.00 1.11 7.27 -0.86 -4.74 117.38 116.44 1qth n GLN 105 Ca -0.01 0.12 0.00 0.00 0.07 0.00 0.00 57.00 57.18 1qth n GLN 105 Cb 0.19 -1.66 0.00 0.00 2.41 0.00 0.00 30.24 31.18 1qth n GLN 105 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1qth n MET 106 N -2.84 2.74 0.00 3.69 0.00 0.08 -5.11 117.12 115.67 1qth n MET 106 Ca -0.21 -0.11 0.00 0.00 0.00 0.00 0.00 57.70 57.37 1qth n MET 106 Cb 1.02 -0.50 0.00 0.00 0.00 0.00 0.00 33.22 33.75 1qth n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1qth n GLY 107 N 0.42 0.01 0.39 3.17 0.00 -0.56 -3.88 105.19 104.75 1qth n GLY 107 Ca 0.00 -1.67 -0.16 0.00 0.00 0.00 0.00 46.02 44.19 1qth n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qth h GLU 108 N 0.00 -0.78 0.10 1.61 4.81 -1.94 -1.82 114.58 116.56 1qth h GLU 108 Ca 0.00 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1qth h GLU 108 Cb 0.00 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1qth h GLU 108 CO 0.00 -0.52 -0.05 1.15 -0.73 0.00 0.00 179.01 178.87 1qth h THR 109 N -0.81 0.97 -0.95 0.32 2.02 -1.97 0.12 112.91 112.61 1qth h THR 109 Ca -0.04 -0.22 0.21 0.00 0.77 0.00 0.00 66.41 67.13 1qth h THR 109 Cb 0.70 1.11 -0.08 0.00 -1.74 0.00 0.00 68.15 68.14 1qth h THR 109 CO -0.02 0.06 0.62 1.23 0.37 0.00 0.00 175.52 177.78 1qth h GLY 110 N -0.23 1.11 1.05 2.16 0.00 -1.66 -2.46 103.07 103.05 1qth h GLY 110 Ca -0.01 -0.23 -0.31 0.00 0.00 0.00 0.00 47.33 46.78 1qth h GLY 110 CO 0.02 -0.03 -1.40 -2.08 0.00 0.00 0.00 176.54 173.05 1qth h VAL 111 N 0.48 1.25 0.00 4.60 2.07 -0.48 -3.28 116.25 120.90 1qth h VAL 111 Ca 0.51 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 65.41 1qth h VAL 111 Cb 1.17 3.01 0.00 0.00 -1.52 0.00 0.00 31.29 33.95 1qth h VAL 111 CO -0.23 0.79 0.00 0.00 0.02 0.00 0.00 177.57 178.15 1qth n ALA 112 N -2.75 1.34 0.61 1.67 0.00 0.35 -2.39 120.51 119.33 1qth n ALA 112 Ca -0.18 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.32 1qth n ALA 112 Cb 1.04 -1.10 0.37 0.00 0.00 0.00 0.00 19.45 19.76 1qth n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qth n GLY 113 N -0.82 -1.08 2.42 0.00 0.00 -1.14 -3.91 105.19 100.66 1qth n GLY 113 Ca 0.02 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 1qth n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qth n PHE 114 N -1.49 1.61 -0.18 1.61 3.72 -1.01 -4.86 117.46 116.87 1qth n PHE 114 Ca 0.04 -2.10 -0.05 0.00 -0.05 0.00 0.00 57.45 55.30 1qth n PHE 114 Cb 0.20 -1.54 -0.04 0.00 -0.94 0.00 0.00 39.48 37.16 1qth n PHE 114 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1qth n THR 115 N 1.35 -0.29 0.08 4.37 -1.04 -1.25 -1.91 114.28 115.59 1qth n THR 115 Ca 0.52 1.43 -0.12 0.00 -2.04 0.00 0.00 64.05 63.84 1qth n THR 115 Cb 0.53 -1.81 -0.05 0.00 -1.82 0.00 0.00 70.33 67.18 1qth n THR 115 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1qth h ASN 116 N 0.00 -0.51 -0.18 8.00 -1.24 -1.95 -0.12 115.58 119.59 1qth h ASN 116 Ca 0.07 0.07 0.03 0.00 0.71 0.00 0.00 56.30 57.18 1qth h ASN 116 Cb 0.17 0.20 -0.03 0.00 0.73 0.00 0.00 38.32 39.40 1qth h ASN 116 CO -0.40 -0.25 -0.03 0.28 -1.29 0.00 0.00 177.43 175.75 1qth h SER 117 N -0.32 -0.13 -0.65 1.15 0.02 -1.71 -1.45 113.55 110.45 1qth h SER 117 Ca 0.04 0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.08 1qth h SER 117 Cb 0.36 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.95 1qth h SER 117 CO -0.13 -0.04 0.38 -0.07 -1.14 0.00 0.00 176.83 175.82 1qth h LEU 118 N 0.02 0.59 0.15 5.07 3.38 -1.37 0.29 115.31 123.44 1qth h LEU 118 Ca 0.08 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1qth h LEU 118 Cb 0.12 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1qth h LEU 118 CO -0.17 0.39 -0.07 -0.09 0.09 0.00 0.00 178.44 178.60 1qth h ARG 119 N 0.72 -0.19 -0.96 1.13 2.43 -0.59 -2.25 114.38 114.67 1qth h ARG 119 Ca 0.28 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.50 1qth h ARG 119 Cb 0.12 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 1qth h ARG 119 CO -0.15 -0.10 0.63 0.52 -1.51 0.00 0.00 179.97 179.36 1qth h MET 120 N -0.23 1.19 -0.76 0.20 2.86 -0.54 0.53 114.93 118.17 1qth h MET 120 Ca -0.02 -0.07 0.16 0.00 -2.06 0.00 0.00 59.70 57.70 1qth h MET 120 Cb 0.18 -0.27 -0.10 0.00 0.06 0.00 0.00 31.60 31.47 1qth h MET 120 CO 0.03 0.78 0.26 -0.07 1.06 0.00 0.00 176.91 178.97 1qth h LEU 121 N 1.22 0.17 -0.99 1.22 3.38 -0.02 0.33 115.31 120.63 1qth h LEU 121 Ca 0.38 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.55 1qth h LEU 121 Cb -0.00 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 1qth h LEU 121 CO -0.12 0.03 0.64 -0.61 0.09 0.00 0.00 178.44 178.47 1qth h GLN 122 N 0.36 1.11 -0.00 1.13 4.15 -0.35 -0.11 115.11 121.41 1qth h GLN 122 Ca 0.43 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.78 1qth h GLN 122 Cb 0.70 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.14 1qth h GLN 122 CO -0.46 0.74 -0.05 1.04 -1.93 0.00 0.00 178.83 178.17 1qth n GLN 123 N -4.52 0.90 -2.70 1.69 6.02 -0.01 -4.86 117.38 113.91 1qth n GLN 123 Ca 0.15 -0.25 -0.11 0.00 -0.01 0.00 0.00 57.00 56.78 1qth n GLN 123 Cb 0.19 -1.49 0.02 0.00 1.02 0.00 0.00 30.24 29.98 1qth n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1qth n LYS 124 N -0.83 -2.68 -2.30 -1.09 5.02 0.38 -4.91 118.16 111.74 1qth n LYS 124 Ca 0.18 0.45 -0.41 0.00 -2.02 0.00 0.00 58.31 56.51 1qth n LYS 124 Cb 0.23 -4.35 0.00 0.00 -0.02 0.00 0.00 35.03 30.89 1qth n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1qth n ARG 125 N -2.44 4.57 -0.32 1.97 3.00 0.89 -4.91 116.66 119.43 1qth n ARG 125 Ca -0.05 -3.84 -0.08 0.00 -0.01 0.00 0.00 57.85 53.87 1qth n ARG 125 Cb 0.56 -2.64 -0.08 0.00 0.00 0.00 0.00 32.46 30.30 1qth n ARG 125 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 1qth n TRP 126 N 1.74 -0.33 0.71 -1.55 7.02 -1.26 -1.30 117.44 122.46 1qth n TRP 126 Ca 0.51 0.94 0.12 0.00 -1.02 0.00 0.00 57.50 58.04 1qth n TRP 126 Cb 0.28 -0.55 0.48 0.00 -2.42 0.00 0.00 31.31 29.10 1qth n TRP 126 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 1qth n ASP 127 N -4.81 0.23 -0.06 -0.99 5.75 -1.26 -2.54 116.55 112.87 1qth n ASP 127 Ca 0.02 0.54 -0.17 0.00 -0.01 0.00 0.00 54.79 55.16 1qth n ASP 127 Cb 0.20 -0.59 -0.13 0.00 -1.03 0.00 0.00 41.12 39.56 1qth n ASP 127 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1qth h GLU 128 N 0.00 0.04 -0.36 0.11 5.08 -1.79 -2.15 114.58 115.51 1qth h GLU 128 Ca 0.00 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1qth h GLU 128 Cb 0.46 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 1qth h GLU 128 CO 0.00 1.03 -0.03 0.00 -1.00 0.00 0.00 179.01 179.01 1qth h ALA 129 N -0.10 0.29 -0.79 3.43 0.00 -1.21 -2.17 119.26 118.71 1qth h ALA 129 Ca -0.11 0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.99 1qth h ALA 129 Cb 1.16 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 1qth h ALA 129 CO -0.03 -0.42 0.47 0.00 0.00 0.00 0.00 179.25 179.26 1qth h ALA 130 N 1.33 1.10 -0.36 0.00 0.00 -1.58 -0.02 119.26 119.74 1qth h ALA 130 Ca 0.18 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1qth h ALA 130 Cb 0.25 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 1qth h ALA 130 CO -0.32 0.15 0.01 0.28 0.00 0.00 0.00 179.25 179.37 1qth h VAL 131 N 0.83 0.75 0.12 0.00 2.07 -0.82 -2.42 116.25 116.79 1qth h VAL 131 Ca 0.36 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.83 1qth h VAL 131 Cb 0.24 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1qth h VAL 131 CO -0.20 0.02 -0.06 0.78 0.02 0.00 0.00 177.57 178.14 1qth h ASN 132 N 0.12 -0.14 -0.20 0.57 -0.26 -0.66 -3.15 115.58 111.86 1qth h ASN 132 Ca 0.17 -0.10 0.06 0.00 -0.56 0.00 0.00 56.30 55.87 1qth h ASN 132 Cb 0.23 0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.52 1qth h ASN 132 CO -0.28 0.02 0.18 -0.07 -1.06 0.00 0.00 177.43 176.21 1qth h LEU 133 N -0.28 0.00 0.00 1.61 3.38 -1.00 -1.53 115.31 117.49 1qth h LEU 133 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1qth h LEU 133 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1qth h LEU 133 CO 0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1qth n ALA 134 N -2.44 2.56 0.73 1.53 0.00 -0.92 -3.08 120.51 118.91 1qth n ALA 134 Ca 0.02 -0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.44 1qth n ALA 134 Cb 0.31 -1.29 -0.12 0.00 0.00 0.00 0.00 19.45 18.35 1qth n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1qth n LYS 135 N -0.80 0.69 -1.27 0.00 4.76 -0.58 -4.93 118.16 116.04 1qth n LYS 135 Ca 0.14 -0.03 -0.31 0.00 -2.87 0.00 0.00 58.31 55.23 1qth n LYS 135 Cb 0.06 -1.41 0.09 0.00 -1.84 0.00 0.00 35.03 31.93 1qth n LYS 135 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1qth s SER 136 N -3.06 4.47 0.10 4.39 1.04 -1.18 -4.93 113.70 114.53 1qth s SER 136 Ca 0.05 1.86 -0.14 0.00 0.48 0.00 0.00 55.95 58.19 1qth s SER 136 Cb 0.14 -2.53 -0.12 0.00 0.10 0.00 0.00 66.02 63.62 1qth s SER 136 CO 0.79 -2.06 1.36 -0.09 0.98 0.00 0.00 173.24 174.22 1qth h ARG 137 N -1.07 0.74 -0.81 4.02 1.12 -1.95 -2.92 114.38 113.51 1qth h ARG 137 Ca -0.44 -0.48 0.19 0.00 -1.11 0.00 0.00 59.98 58.14 1qth h ARG 137 Cb 1.23 0.06 -0.05 0.00 -0.01 0.00 0.00 29.97 31.21 1qth h ARG 137 CO 0.51 1.11 0.55 2.35 -3.11 0.00 0.00 179.97 181.37 1qth h TRP 138 N 0.46 0.39 0.00 2.20 7.01 -1.91 1.06 115.95 125.16 1qth h TRP 138 Ca 0.01 0.01 -0.11 0.00 2.11 0.00 0.00 58.89 60.91 1qth h TRP 138 Cb 1.09 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 28.01 1qth h TRP 138 CO 0.08 0.12 -0.53 -0.92 -2.79 0.00 0.00 178.44 174.41 1qth h TYR 139 N 0.31 0.00 -0.15 2.65 3.20 -1.73 -2.65 116.97 118.60 1qth h TYR 139 Ca 0.40 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 62.08 1qth h TYR 139 Cb 1.11 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.38 1qth h TYR 139 CO -0.00 0.53 -0.68 -0.97 -1.64 0.00 0.00 178.16 175.39 1qth h ASN 140 N 0.00 0.71 0.00 -2.11 -0.00 0.94 -2.97 115.58 112.15 1qth h ASN 140 Ca -0.01 -0.44 0.00 0.00 -0.00 0.00 0.00 56.30 55.86 1qth h ASN 140 Cb 0.99 -0.21 0.00 0.00 -0.00 0.00 0.00 38.32 39.11 1qth h ASN 140 CO 0.07 1.20 0.00 0.00 -0.00 0.00 0.00 177.43 178.70 1qth n GLN 141 N -3.91 0.00 -3.99 6.67 6.02 0.17 -4.28 117.38 118.05 1qth n GLN 141 Ca -0.05 0.53 -0.32 0.00 -0.01 0.00 0.00 57.00 57.16 1qth n GLN 141 Cb 0.69 -1.26 -0.15 0.00 1.02 0.00 0.00 30.24 30.54 1qth n GLN 141 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1qth s THR 142 N -2.06 2.42 -0.17 5.09 -4.23 -1.02 -4.95 115.64 110.72 1qth s THR 142 Ca 0.00 -2.34 0.18 0.00 -1.18 0.00 0.00 61.69 58.35 1qth s THR 142 Cb 0.00 -2.77 -0.05 0.00 1.34 0.00 0.00 72.50 71.02 1qth s THR 142 CO 0.00 -0.62 1.02 1.55 -0.54 0.00 0.00 174.62 176.03 1qth h PRO 143 N 7.64 0.00 0.10 3.99 0.13 -1.70 -1.27 132.00 140.89 1qth h PRO 143 Ca -0.05 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.79 1qth h PRO 143 Cb 1.02 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.18 1qth h PRO 143 CO 0.55 0.25 -1.21 -0.91 -0.23 0.00 0.00 178.00 176.44 1qth h ASN 144 N 0.00 0.86 1.13 1.44 2.35 -1.92 -1.60 115.58 117.84 1qth h ASN 144 Ca -0.09 -0.78 -0.11 0.00 -0.55 0.00 0.00 56.30 54.77 1qth h ASN 144 Cb 1.40 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 39.48 1qth h ASN 144 CO 0.04 1.58 -0.52 -0.09 -1.65 0.00 0.00 177.43 176.79 1qth h ARG 145 N 0.29 0.00 0.00 0.81 2.43 -1.96 -3.20 114.38 112.75 1qth h ARG 145 Ca -0.18 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.91 1qth h ARG 145 Cb 1.88 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.42 1qth h ARG 145 CO 0.23 0.52 -1.17 0.00 -1.51 0.00 0.00 179.97 178.03 1qth h ALA 146 N 1.48 0.59 0.29 2.80 0.00 -1.19 -3.27 119.26 119.98 1qth h ALA 146 Ca -0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1qth h ALA 146 Cb 1.22 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1qth h ALA 146 CO 0.07 0.47 -0.14 0.87 0.00 0.00 0.00 179.25 180.52 1qth h LYS 147 N 0.00 -0.38 -0.79 0.00 1.57 -1.33 -2.55 116.57 113.08 1qth h LYS 147 Ca -0.08 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1qth h LYS 147 Cb 1.30 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.66 1qth h LYS 147 CO 0.02 -0.22 0.52 0.00 -0.57 0.00 0.00 179.45 179.21 1qth h ARG 148 N -0.45 1.04 0.30 3.15 3.08 -1.65 -1.00 114.38 118.85 1qth h ARG 148 Ca -0.04 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1qth h ARG 148 Cb 0.34 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1qth h ARG 148 CO 0.07 0.69 -0.48 0.28 -1.07 0.00 0.00 179.97 179.46 1qth h VAL 149 N 1.07 0.00 0.07 2.04 2.07 -1.59 -1.32 116.25 118.58 1qth h VAL 149 Ca 0.29 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.82 1qth h VAL 149 Cb -0.11 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.64 1qth h VAL 149 CO -0.07 0.00 -0.12 0.40 0.02 0.00 0.00 177.57 177.80 1qth h ILE 150 N -0.82 0.71 -0.70 4.57 2.04 -1.39 0.46 117.51 122.38 1qth h ILE 150 Ca -0.03 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.98 1qth h ILE 150 Cb 0.76 0.71 -0.12 0.00 -0.74 0.00 0.00 36.82 37.42 1qth h ILE 150 CO -0.15 0.00 -0.04 0.74 0.00 0.00 0.00 178.15 178.70 1qth h THR 151 N -0.24 0.37 0.00 -0.27 2.02 -1.16 0.81 112.91 114.44 1qth h THR 151 Ca 0.02 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 1qth h THR 151 Cb 0.26 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1qth h THR 151 CO -0.07 0.01 -0.35 0.74 0.37 0.00 0.00 175.52 176.22 1qth h THR 152 N 0.08 0.87 0.00 3.16 2.02 -0.55 0.33 112.91 118.81 1qth h THR 152 Ca 0.37 -1.43 -0.12 0.00 0.77 0.00 0.00 66.41 66.01 1qth h THR 152 Cb 0.62 1.87 -0.02 0.00 -1.74 0.00 0.00 68.15 68.88 1qth h THR 152 CO -0.64 0.34 -0.56 -0.26 0.37 0.00 0.00 175.52 174.77 1qth h PHE 153 N 0.00 0.00 -0.16 3.16 0.05 0.14 0.34 116.94 120.47 1qth h PHE 153 Ca -0.00 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.77 1qth h PHE 153 Cb 0.84 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.79 1qth h PHE 153 CO 0.00 0.56 0.04 0.00 -0.18 0.00 0.00 178.31 178.73 1qth h ARG 154 N 0.00 0.26 0.03 1.51 3.08 0.23 -3.37 114.38 116.12 1qth h ARG 154 Ca -0.01 -0.06 -0.23 0.00 0.07 0.00 0.00 59.98 59.75 1qth h ARG 154 Cb 1.09 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.08 1qth h ARG 154 CO 0.07 0.40 -1.27 1.79 -1.07 0.00 0.00 179.97 179.90 1qth h THR 155 N 0.07 0.95 0.00 2.04 1.35 -0.39 -3.47 112.91 113.47 1qth h THR 155 Ca 0.05 -2.23 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 1qth h THR 155 Cb 0.26 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1qth h THR 155 CO 0.00 0.44 0.00 0.61 -0.25 0.00 0.00 175.52 176.32 1qth n GLY 156 N 1.54 0.68 3.28 5.82 0.00 0.12 -5.04 105.19 111.58 1qth n GLY 156 Ca -0.30 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 1qth n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qth s THR 157 N -2.00 0.35 -2.37 2.61 -4.23 -1.26 -4.82 115.64 103.91 1qth s THR 157 Ca 0.00 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.75 1qth s THR 157 Cb 0.00 -2.58 0.49 0.00 1.34 0.00 0.00 72.50 71.75 1qth s THR 157 CO 0.00 0.00 1.61 0.79 -0.54 0.00 0.00 174.62 176.48 1qth n TRP 158 N -0.41 0.14 -0.28 3.99 7.02 -1.26 -4.63 117.44 122.00 1qth n TRP 158 Ca 0.01 -0.07 0.05 0.00 -1.02 0.00 0.00 57.50 56.47 1qth n TRP 158 Cb 0.66 0.00 0.11 0.00 -2.42 0.00 0.00 31.31 29.66 1qth n TRP 158 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1qth n ASP 159 N 0.31 -0.28 0.04 -0.99 8.00 -1.26 0.26 116.55 122.63 1qth n ASP 159 Ca 0.17 1.35 0.09 0.00 0.71 0.00 0.00 54.79 57.11 1qth n ASP 159 Cb 0.35 -0.41 0.39 0.00 -0.02 0.00 0.00 41.12 41.43 1qth n ASP 159 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qth n ALA 160 N -3.71 1.75 0.79 2.24 0.00 -1.26 -2.58 120.51 117.74 1qth n ALA 160 Ca 0.13 -0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.57 1qth n ALA 160 Cb 0.39 -1.31 0.08 0.00 0.00 0.00 0.00 19.45 18.61 1qth n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qth n TYR 161 N -1.74 0.39 -1.68 0.00 4.02 0.73 -4.97 117.16 113.90 1qth n TYR 161 Ca 0.03 -0.14 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 1qth n TYR 161 Cb 0.21 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 39.38 1qth n TYR 161 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48