#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hyy s VAL 17 N 0.00 3.58 -0.07 6.31 1.01 -1.26 -4.52 120.40 125.44 3hyy s VAL 17 Ca 0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 3hyy s VAL 17 Cb 0.00 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 3hyy s VAL 17 CO 0.00 0.44 0.29 -1.61 0.00 0.00 0.00 175.10 174.22 3hyy s GLU 18 N 1.07 3.80 -0.07 2.72 2.02 -0.44 -4.97 118.70 122.83 3hyy s GLU 18 Ca 0.01 0.16 0.04 0.00 0.02 0.00 0.00 54.97 55.20 3hyy s GLU 18 Cb -0.15 -3.25 -0.02 0.00 0.10 0.00 0.00 34.13 30.82 3hyy s GLU 18 CO 0.00 0.64 -0.18 0.99 0.02 0.00 0.00 175.26 176.73 3hyy s THR 19 N -0.79 2.66 0.10 3.63 2.01 -1.26 -1.32 115.64 120.67 3hyy s THR 19 Ca 0.19 -0.85 0.06 0.00 0.31 0.00 0.00 61.69 61.40 3hyy s THR 19 Cb -0.14 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 3hyy s THR 19 CO 0.08 0.57 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.06 3hyy s PHE 20 N -0.33 1.43 -0.06 4.92 0.08 0.72 -4.98 117.98 119.75 3hyy s PHE 20 Ca 0.02 -0.47 -0.21 0.00 0.12 0.00 0.00 56.93 56.39 3hyy s PHE 20 Cb -0.13 -0.78 -0.04 0.00 -0.57 0.00 0.00 43.02 41.50 3hyy s PHE 20 CO 0.02 0.13 0.60 0.00 -0.10 0.00 0.00 175.22 175.87 3hyy s ALA 21 N -1.50 3.43 0.62 5.36 0.00 -1.26 -1.05 121.76 127.36 3hyy s ALA 21 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 51.96 51.82 3hyy s ALA 21 Cb -0.08 -2.79 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 3hyy s ALA 21 CO 0.03 0.02 1.18 -0.06 0.00 0.00 0.00 175.76 176.92 3hyy s PHE 22 N 0.43 2.42 0.43 0.00 0.08 -0.76 -4.95 117.98 115.62 3hyy s PHE 22 Ca 0.32 1.54 -0.24 0.00 0.12 0.00 0.00 56.93 58.67 3hyy s PHE 22 Cb -0.17 -3.39 -0.10 0.00 -0.57 0.00 0.00 43.02 38.78 3hyy s PHE 22 CO 0.15 -2.09 1.00 1.04 -0.10 0.00 0.00 175.22 175.22 3hyy n GLN 23 N -1.88 1.31 -0.33 0.44 6.02 -1.26 -4.76 117.38 116.91 3hyy n GLN 23 Ca 0.13 0.47 0.21 0.00 -0.01 0.00 0.00 57.00 57.80 3hyy n GLN 23 Cb 0.50 -2.03 0.43 0.00 1.02 0.00 0.00 30.24 30.17 3hyy n GLN 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hyy h ALA 24 N 1.49 1.84 -0.40 -1.58 0.00 -1.97 -1.37 119.26 117.26 3hyy h ALA 24 Ca -0.44 0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 3hyy h ALA 24 Cb 1.34 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 3hyy h ALA 24 CO 0.56 -0.49 -0.19 0.93 0.00 0.00 0.00 179.25 180.07 3hyy h GLU 25 N 0.38 0.77 -0.08 0.00 3.07 -1.98 0.84 114.58 117.57 3hyy h GLU 25 Ca 0.69 -0.29 -0.20 0.00 -0.50 0.00 0.00 59.36 59.06 3hyy h GLU 25 Cb 1.51 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 29.38 3hyy h GLU 25 CO -0.58 0.90 -0.75 0.82 -1.40 0.00 0.00 179.01 178.00 3hyy h ILE 26 N 0.68 1.32 -0.51 3.13 5.03 -1.65 -0.84 117.51 124.67 3hyy h ILE 26 Ca 0.10 -2.02 0.04 0.00 -0.12 0.00 0.00 64.86 62.86 3hyy h ILE 26 Cb 0.69 2.22 -0.04 0.00 -3.03 0.00 0.00 36.82 36.66 3hyy h ILE 26 CO 0.05 0.62 0.28 0.00 -0.68 0.00 0.00 178.15 178.42 3hyy h ALA 27 N 0.46 0.66 -0.30 1.87 0.00 -1.14 -0.19 119.26 120.61 3hyy h ALA 27 Ca -0.07 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hyy h ALA 27 Cb 1.40 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 3hyy h ALA 27 CO 0.15 -0.05 0.13 0.37 0.00 0.00 0.00 179.25 179.85 3hyy h GLN 28 N 0.55 0.27 -0.33 0.00 4.15 -0.68 -1.13 115.11 117.94 3hyy h GLN 28 Ca 0.22 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.69 3hyy h GLN 28 Cb 0.09 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.66 3hyy h GLN 28 CO -0.13 0.18 -0.06 1.25 -1.93 0.00 0.00 178.83 178.14 3hyy h LEU 29 N 0.28 -0.26 -0.94 -2.39 5.85 -0.68 -0.30 115.31 116.86 3hyy h LEU 29 Ca 0.13 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.97 3hyy h LEU 29 Cb 0.07 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 3hyy h LEU 29 CO -0.11 -0.09 0.62 0.24 -0.34 0.00 0.00 178.44 178.76 3hyy h MET 30 N 0.03 1.19 -0.63 1.25 2.86 -0.66 -1.06 114.93 117.90 3hyy h MET 30 Ca 0.16 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.65 3hyy h MET 30 Cb 0.24 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 3hyy h MET 30 CO -0.32 0.78 0.07 0.77 1.06 0.00 0.00 176.91 179.27 3hyy h SER 31 N 1.22 1.03 -0.43 1.22 0.02 -0.91 -0.25 113.55 115.45 3hyy h SER 31 Ca 0.37 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3hyy h SER 31 Cb -0.05 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.19 3hyy h SER 31 CO -0.10 1.05 0.27 0.25 -1.14 0.00 0.00 176.83 177.15 3hyy h LEU 32 N 0.97 0.45 -0.48 5.07 6.46 -0.31 0.12 115.31 127.59 3hyy h LEU 32 Ca 0.19 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 3hyy h LEU 32 Cb 0.48 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 3hyy h LEU 32 CO 0.02 0.32 0.26 0.40 -0.62 0.00 0.00 178.44 178.82 3hyy h ILE 33 N 0.54 1.17 -0.68 4.05 2.04 -1.02 0.61 117.51 124.22 3hyy h ILE 33 Ca 0.17 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 3hyy h ILE 33 Cb -0.02 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 3hyy h ILE 33 CO -0.06 0.18 0.18 0.40 0.00 0.00 0.00 178.15 178.85 3hyy h ILE 34 N 0.63 1.26 0.00 -0.67 2.04 -0.95 -3.38 117.51 116.45 3hyy h ILE 34 Ca 0.17 -0.93 -0.19 0.00 1.00 0.00 0.00 64.86 64.91 3hyy h ILE 34 Cb 0.05 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 3hyy h ILE 34 CO -0.03 0.36 -1.63 0.59 0.00 0.00 0.00 178.15 177.44 3hyy n ASN 35 N -4.29 0.65 -4.76 1.72 5.03 0.40 -4.94 115.26 109.06 3hyy n ASN 35 Ca 0.05 0.29 -0.41 0.00 0.87 0.00 0.00 54.58 55.38 3hyy n ASN 35 Cb 0.24 0.46 -0.03 0.00 -1.02 0.00 0.00 39.78 39.43 3hyy n ASN 35 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3hyy s THR 36 N -2.90 3.06 -0.19 3.41 2.01 0.18 -4.98 115.64 116.22 3hyy s THR 36 Ca -0.05 1.03 -0.29 0.00 0.31 0.00 0.00 61.69 62.69 3hyy s THR 36 Cb 0.09 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.92 3hyy s THR 36 CO 0.82 0.23 1.42 0.12 -0.69 0.00 0.00 174.62 176.52 3hyy s PHE 37 N -0.94 2.49 -0.28 4.92 5.36 -1.26 -4.97 117.98 123.30 3hyy s PHE 37 Ca 0.49 0.73 -0.02 0.00 -0.96 0.00 0.00 56.93 57.17 3hyy s PHE 37 Cb -0.37 -3.78 0.17 0.00 -0.34 0.00 0.00 43.02 38.71 3hyy s PHE 37 CO 0.46 -2.35 0.54 -0.47 -1.46 0.00 0.00 175.22 171.94 3hyy s TYR 38 N 4.18 -1.38 -0.23 10.12 5.04 -1.26 -5.06 117.35 128.76 3hyy s TYR 38 Ca 0.62 1.50 0.18 0.00 -2.44 0.00 0.00 57.07 56.93 3hyy s TYR 38 Cb -0.23 0.42 0.09 0.00 0.35 0.00 0.00 41.96 42.59 3hyy s TYR 38 CO 0.22 -0.83 1.31 0.77 -1.34 0.00 0.00 175.55 175.69 3hyy h SER 39 N 8.05 0.00 0.00 4.32 0.02 -2.04 -3.37 113.55 120.53 3hyy h SER 39 Ca -0.22 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.38 3hyy h SER 39 Cb 1.16 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.67 3hyy h SER 39 CO 0.26 0.32 1.16 -3.20 -1.14 0.00 0.00 176.83 174.22 3hyy n ASN 40 N -3.05 6.23 0.28 3.07 5.15 -1.26 -4.66 115.26 121.01 3hyy n ASN 40 Ca 0.00 -2.47 0.14 0.00 -0.60 0.00 0.00 54.58 51.64 3hyy n ASN 40 Cb 0.68 -1.41 0.79 0.00 -0.53 0.00 0.00 39.78 39.31 3hyy n ASN 40 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 3hyy h LYS 41 N 3.89 0.00 0.00 1.20 1.57 -1.96 -3.25 116.57 118.01 3hyy h LYS 41 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 3hyy h LYS 41 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 3hyy h LYS 41 CO 0.80 0.08 0.02 1.05 -0.57 0.00 0.00 179.45 180.83 3hyy h GLU 42 N 0.00 0.00 0.00 3.15 4.11 -1.97 -2.21 114.58 117.66 3hyy h GLU 42 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3hyy h GLU 42 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3hyy h GLU 42 CO 0.01 0.00 0.00 -0.84 0.07 0.00 0.00 179.01 178.25 3hyy h ILE 43 N 0.00 0.00 -0.89 -1.06 -0.00 -1.98 -2.41 117.51 111.17 3hyy h ILE 43 Ca 0.00 -0.13 0.09 0.00 -0.00 0.00 0.00 64.86 64.83 3hyy h ILE 43 Cb 0.04 0.79 -0.06 0.00 -0.00 0.00 0.00 36.82 37.59 3hyy h ILE 43 CO 0.00 0.00 0.58 2.19 -0.00 0.00 0.00 178.15 180.92 3hyy h PHE 44 N 0.00 0.96 -0.32 0.16 -5.15 -1.66 -2.28 116.94 108.65 3hyy h PHE 44 Ca 0.00 0.03 -0.13 0.00 -0.20 0.00 0.00 57.97 57.67 3hyy h PHE 44 Cb 0.18 -0.31 -0.01 0.00 0.22 0.00 0.00 35.95 36.03 3hyy h PHE 44 CO 0.00 0.45 -0.30 1.25 -2.00 0.00 0.00 178.31 177.70 3hyy h LEU 45 N 0.89 0.82 -0.90 2.10 5.85 -1.70 -1.67 115.31 120.71 3hyy h LEU 45 Ca 0.41 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3hyy h LEU 45 Cb 0.39 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 3hyy h LEU 45 CO -0.17 1.12 0.58 -0.09 -0.34 0.00 0.00 178.44 179.53 3hyy h ARG 46 N 0.54 1.10 -0.43 1.25 2.43 -1.62 -1.36 114.38 116.29 3hyy h ARG 46 Ca 0.05 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 3hyy h ARG 46 Cb 0.88 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 3hyy h ARG 46 CO 0.08 0.73 -0.08 0.93 -1.51 0.00 0.00 179.97 180.11 3hyy h GLU 47 N 1.14 0.81 -0.17 0.20 4.39 -0.94 0.13 114.58 120.14 3hyy h GLU 47 Ca 0.36 -0.30 -0.17 0.00 0.34 0.00 0.00 59.36 59.59 3hyy h GLU 47 Cb -0.01 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3hyy h GLU 47 CO -0.12 0.92 -0.59 -0.07 -1.16 0.00 0.00 179.01 177.99 3hyy h LEU 48 N 0.64 0.62 -0.49 1.33 3.38 -0.98 -1.44 115.31 118.36 3hyy h LEU 48 Ca 0.11 -0.35 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 3hyy h LEU 48 Cb 0.61 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3hyy h LEU 48 CO 0.04 1.07 -0.11 0.40 0.09 0.00 0.00 178.44 179.93 3hyy h ILE 49 N 0.41 1.27 -0.61 1.22 2.04 -1.18 -0.37 117.51 120.29 3hyy h ILE 49 Ca -0.00 -1.24 0.07 0.00 1.00 0.00 0.00 64.86 64.68 3hyy h ILE 49 Cb 1.15 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.23 3hyy h ILE 49 CO 0.11 0.43 0.30 -1.28 0.00 0.00 0.00 178.15 177.71 3hyy h SER 50 N 0.80 0.40 -0.55 1.72 0.87 -0.60 0.84 113.55 117.03 3hyy h SER 50 Ca 0.13 0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3hyy h SER 50 Cb 0.66 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 3hyy h SER 50 CO 0.05 0.26 0.35 0.78 -0.53 0.00 0.00 176.83 177.74 3hyy h ASN 51 N 0.55 0.60 -0.63 6.23 -0.26 -0.93 -0.14 115.58 120.99 3hyy h ASN 51 Ca 0.28 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.99 3hyy h ASN 51 Cb 0.24 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.33 3hyy h ASN 51 CO -0.22 0.43 0.30 0.28 -1.06 0.00 0.00 177.43 177.16 3hyy h SER 52 N 0.71 0.83 -0.58 5.81 0.02 -0.49 -1.91 113.55 117.94 3hyy h SER 52 Ca 0.21 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3hyy h SER 52 Cb -0.05 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.25 3hyy h SER 52 CO -0.06 0.73 0.33 -1.28 -1.14 0.00 0.00 176.83 175.41 3hyy h SER 53 N 0.87 0.72 -0.85 3.07 0.87 -0.35 -0.19 113.55 117.68 3hyy h SER 53 Ca 0.22 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3hyy h SER 53 Cb 0.13 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.86 3hyy h SER 53 CO -0.03 0.59 0.52 0.44 -0.53 0.00 0.00 176.83 177.83 3hyy h ASP 54 N 0.79 1.02 -0.30 6.23 3.32 -0.85 0.10 116.42 126.72 3hyy h ASP 54 Ca 0.21 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 3hyy h ASP 54 Cb 0.03 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3hyy h ASP 54 CO -0.03 0.78 -0.05 0.00 -1.72 0.00 0.00 179.24 178.21 3hyy h ALA 55 N 1.28 1.16 -0.24 3.45 0.00 -0.82 -1.53 119.26 122.56 3hyy h ALA 55 Ca 0.31 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 3hyy h ALA 55 Cb -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3hyy h ALA 55 CO -0.06 0.54 -0.43 -0.07 0.00 0.00 0.00 179.25 179.24 3hyy h LEU 56 N 0.63 0.78 -1.10 0.00 3.38 -0.67 -0.37 115.31 117.96 3hyy h LEU 56 Ca 0.12 -0.54 0.07 0.00 0.09 0.00 0.00 57.88 57.63 3hyy h LEU 56 Cb 0.47 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 3hyy h LEU 56 CO 0.02 1.17 0.61 0.44 0.09 0.00 0.00 178.44 180.78 3hyy h ASP 57 N 0.42 0.95 -0.10 -0.43 3.32 -0.52 -0.66 116.42 119.41 3hyy h ASP 57 Ca 0.01 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3hyy h ASP 57 Cb 1.03 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 3hyy h ASP 57 CO 0.10 0.60 -0.07 0.50 -1.72 0.00 0.00 179.24 178.65 3hyy h LYS 58 N 1.07 0.21 -0.84 3.56 3.64 -1.11 0.27 116.57 123.37 3hyy h LYS 58 Ca 0.41 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 3hyy h LYS 58 Cb 0.22 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 3hyy h LYS 58 CO -0.16 0.60 0.49 0.97 -2.27 0.00 0.00 179.45 179.07 3hyy h ILE 59 N -0.17 1.24 -0.28 2.00 6.09 -1.23 -0.77 117.51 124.38 3hyy h ILE 59 Ca 0.02 -0.55 -0.03 0.00 -1.37 0.00 0.00 64.86 62.93 3hyy h ILE 59 Cb 0.54 0.07 -0.01 0.00 0.47 0.00 0.00 36.82 37.89 3hyy h ILE 59 CO 0.02 0.26 0.06 -0.09 -3.07 0.00 0.00 178.15 175.32 3hyy h ARG 60 N 1.17 0.45 -0.14 2.19 2.43 -0.81 -0.27 114.38 119.41 3hyy h ARG 60 Ca 0.30 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 3hyy h ARG 60 Cb -0.02 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 3hyy h ARG 60 CO -0.05 0.55 0.06 -0.92 -1.51 0.00 0.00 179.97 178.09 3hyy h TYR 61 N 0.28 0.11 -0.22 2.20 3.20 -0.31 -2.65 116.97 119.57 3hyy h TYR 61 Ca 0.09 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 3hyy h TYR 61 Cb 0.31 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 3hyy h TYR 61 CO 0.02 0.06 0.03 0.93 -1.64 0.00 0.00 178.16 177.55 3hyy h GLU 62 N 0.13 0.32 0.00 1.82 5.08 -0.93 -1.45 114.58 119.55 3hyy h GLU 62 Ca 0.06 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3hyy h GLU 62 Cb 0.02 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3hyy h GLU 62 CO -0.05 0.32 -0.01 0.66 -1.00 0.00 0.00 179.01 178.93 3hyy h SER 63 N 0.32 0.00 0.32 1.42 4.64 -0.68 -2.02 113.55 117.55 3hyy h SER 63 Ca 0.08 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.25 3hyy h SER 63 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3hyy h SER 63 CO 0.00 0.01 -0.60 -0.07 -0.87 0.00 0.00 176.83 175.30 3hyy h LEU 64 N 0.00 0.32 0.00 5.97 3.38 -1.17 -2.38 115.31 121.43 3hyy h LEU 64 Ca -0.00 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 57.63 3hyy h LEU 64 Cb 0.19 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3hyy h LEU 64 CO 0.00 0.85 -1.71 0.35 0.09 0.00 0.00 178.44 178.02 3hyy n THR 65 N -3.88 0.92 -3.53 0.22 -2.24 -1.08 -4.74 114.28 99.95 3hyy n THR 65 Ca -0.03 -0.67 -0.29 0.00 -2.27 0.00 0.00 64.05 60.79 3hyy n THR 65 Cb 0.62 -0.48 -0.12 0.00 -2.10 0.00 0.00 70.33 68.24 3hyy n THR 65 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hyy s ASP 66 N -5.40 3.07 0.49 3.42 -1.08 -0.78 -5.00 116.67 111.39 3hyy s ASP 66 Ca -0.05 -2.38 0.21 0.00 -0.52 0.00 0.00 52.55 49.81 3hyy s ASP 66 Cb 0.09 -0.58 1.25 0.00 -1.46 0.00 0.00 42.92 42.22 3hyy s ASP 66 CO 0.84 -0.29 1.99 -0.65 0.52 0.00 0.00 175.17 177.57 3hyy h PRO 67 N 6.84 0.15 0.00 4.34 0.11 -1.70 -1.00 132.00 140.74 3hyy h PRO 67 Ca 0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3hyy h PRO 67 Cb 0.95 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3hyy h PRO 67 CO 0.33 0.10 0.00 -1.13 -0.21 0.00 0.00 178.00 177.09 3hyy n SER 68 N -4.42 0.00 0.17 -2.05 3.41 -1.26 -1.32 113.62 108.14 3hyy n SER 68 Ca 0.10 0.46 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 3hyy n SER 68 Cb 0.52 -0.47 0.58 0.00 -0.26 0.00 0.00 64.21 64.57 3hyy n SER 68 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3hyy h LYS 69 N 0.00 0.00 -0.55 4.33 1.57 -1.53 -2.12 116.57 118.28 3hyy h LYS 69 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hyy h LYS 69 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3hyy h LYS 69 CO 0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 3hyy n LEU 70 N -2.39 3.39 0.32 2.94 4.77 -0.43 -4.27 117.00 121.33 3hyy n LEU 70 Ca 0.01 -1.61 0.21 0.00 -0.03 0.00 0.00 56.01 54.58 3hyy n LEU 70 Cb 0.18 -0.36 1.04 0.00 -2.33 0.00 0.00 43.42 41.95 3hyy n LEU 70 CO 0.18 0.81 1.12 0.44 -1.33 0.00 0.00 177.39 178.61 3hyy h ASP 71 N 3.94 0.00 -0.24 -1.43 3.32 -1.55 0.40 116.42 120.87 3hyy h ASP 71 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hyy h ASP 71 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 3hyy h ASP 71 CO 0.00 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.98 3hyy n SER 72 N -3.12 1.91 0.00 6.45 3.41 -1.26 -4.89 113.62 116.12 3hyy n SER 72 Ca -0.02 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 3hyy n SER 72 Cb 0.15 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3hyy n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hyy n GLY 73 N 1.16 3.88 0.07 5.00 0.00 0.13 -3.70 105.19 111.72 3hyy n GLY 73 Ca 0.16 -0.50 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 3hyy n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hyy h LYS 74 N 0.00 0.00 -6.71 1.61 1.57 -1.89 -3.44 116.57 107.70 3hyy h LYS 74 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 3hyy h LYS 74 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3hyy h LYS 74 CO 0.00 0.93 0.44 -1.83 -0.57 0.00 0.00 179.45 178.42 3hyy s GLU 75 N -2.71 4.67 -0.32 3.15 1.03 -1.26 -5.00 118.70 118.26 3hyy s GLU 75 Ca 0.01 1.67 0.01 0.00 0.03 0.00 0.00 54.97 56.69 3hyy s GLU 75 Cb 0.10 -3.26 0.07 0.00 -0.80 0.00 0.00 34.13 30.24 3hyy s GLU 75 CO 0.82 0.22 0.01 -0.51 -1.33 0.00 0.00 175.26 174.48 3hyy s LEU 76 N -0.83 4.20 0.27 1.83 1.43 -1.26 -4.74 118.68 119.58 3hyy s LEU 76 Ca 0.46 -1.65 -0.16 0.00 -1.03 0.00 0.00 54.13 51.75 3hyy s LEU 76 Cb -0.29 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.28 3hyy s LEU 76 CO 0.36 -0.32 0.60 -1.38 0.23 0.00 0.00 176.35 175.84 3hyy s HIS 77 N 1.10 0.15 -0.07 0.29 -3.43 -1.26 -4.39 115.29 107.69 3hyy s HIS 77 Ca -0.00 -0.56 0.01 0.00 -0.80 0.00 0.00 55.06 53.70 3hyy s HIS 77 Cb -0.20 0.44 0.02 0.00 -1.43 0.00 0.00 32.58 31.40 3hyy s HIS 77 CO -0.04 -1.14 -0.07 0.42 -2.00 0.00 0.00 174.74 171.91 3hyy s ILE 78 N -3.83 0.76 -0.04 -5.38 1.01 -0.56 -2.30 121.20 110.86 3hyy s ILE 78 Ca 0.18 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.65 3hyy s ILE 78 Cb -0.03 -0.77 -0.03 0.00 0.01 0.00 0.00 42.46 41.64 3hyy s ILE 78 CO 0.09 0.29 -0.14 0.20 0.00 0.00 0.00 174.94 175.38 3hyy s ASN 79 N 1.11 4.05 -0.19 3.58 0.01 0.12 -1.50 114.94 122.12 3hyy s ASN 79 Ca -0.07 -0.20 -0.01 0.00 -0.71 0.00 0.00 52.86 51.86 3hyy s ASN 79 Cb -0.14 -0.85 0.01 0.00 0.41 0.00 0.00 41.25 40.68 3hyy s ASN 79 CO -0.01 0.34 -0.13 -0.76 -1.51 0.00 0.00 177.10 175.03 3hyy s LEU 80 N -0.80 2.48 -0.27 0.60 1.43 -0.04 -0.94 118.68 121.13 3hyy s LEU 80 Ca 0.12 -0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 52.69 3hyy s LEU 80 Cb -0.11 -1.59 0.08 0.00 0.03 0.00 0.00 46.19 44.60 3hyy s LEU 80 CO 0.01 0.01 0.04 -0.63 0.23 0.00 0.00 176.35 176.01 3hyy s ILE 81 N 1.29 1.14 0.24 -0.59 1.01 0.55 -0.88 121.20 123.96 3hyy s ILE 81 Ca 0.04 -1.30 -0.19 0.00 0.00 0.00 0.00 60.65 59.19 3hyy s ILE 81 Cb -0.14 -1.70 -0.08 0.00 0.01 0.00 0.00 42.46 40.55 3hyy s ILE 81 CO -0.07 -0.43 0.74 -2.16 0.00 0.00 0.00 174.94 173.02 3hyy s PRO 82 N 1.52 4.24 -0.29 2.79 0.04 -1.26 -0.88 135.00 141.16 3hyy s PRO 82 Ca 0.04 0.87 -0.02 0.00 0.04 0.00 0.00 61.00 61.93 3hyy s PRO 82 Cb -0.18 -2.82 0.12 0.00 0.04 0.00 0.00 34.50 31.66 3hyy s PRO 82 CO -0.15 0.36 0.20 1.21 0.04 0.00 0.00 177.00 178.66 3hyy s ASN 83 N -1.72 2.77 0.35 6.66 3.84 -0.12 -4.70 114.94 122.01 3hyy s ASN 83 Ca 0.45 -1.11 0.06 0.00 0.21 0.00 0.00 52.86 52.47 3hyy s ASN 83 Cb -0.16 -0.00 0.66 0.00 -0.55 0.00 0.00 41.25 41.20 3hyy s ASN 83 CO 0.21 -0.42 1.89 0.11 -2.79 0.00 0.00 177.10 176.10 3hyy h LYS 84 N 8.30 0.43 -0.26 0.43 1.57 -1.92 0.85 116.57 125.97 3hyy h LYS 84 Ca -0.16 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 3hyy h LYS 84 Cb 1.04 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 3hyy h LYS 84 CO 0.39 0.50 0.04 1.96 -0.57 0.00 0.00 179.45 181.77 3hyy h GLN 85 N 0.41 0.43 0.00 3.15 7.50 -1.96 -2.89 115.11 121.76 3hyy h GLN 85 Ca 0.09 -0.12 0.00 0.00 0.50 0.00 0.00 58.65 59.12 3hyy h GLN 85 Cb 0.34 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 27.82 3hyy h GLN 85 CO 0.01 0.55 -0.26 -0.25 -1.50 0.00 0.00 178.83 177.38 3hyy n ASP 86 N -4.68 0.31 -3.75 1.46 8.00 -1.13 -4.97 116.55 111.79 3hyy n ASP 86 Ca -0.03 0.15 -0.23 0.00 0.71 0.00 0.00 54.79 55.38 3hyy n ASP 86 Cb 0.20 -0.14 0.03 0.00 -0.02 0.00 0.00 41.12 41.19 3hyy n ASP 86 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3hyy n ARG 87 N -1.58 -5.13 -4.60 -1.24 0.63 0.22 -4.89 116.66 100.08 3hyy n ARG 87 Ca 0.06 0.62 -0.27 0.00 -0.92 0.00 0.00 57.85 57.34 3hyy n ARG 87 Cb 0.35 -5.27 -0.14 0.00 0.45 0.00 0.00 32.46 27.86 3hyy n ARG 87 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3hyy s THR 88 N -3.58 1.88 -0.14 5.15 -4.23 -0.76 -1.70 115.64 112.26 3hyy s THR 88 Ca 0.17 -1.40 0.02 0.00 -1.18 0.00 0.00 61.69 59.30 3hyy s THR 88 Cb -0.08 -1.65 0.00 0.00 1.34 0.00 0.00 72.50 72.11 3hyy s THR 88 CO 0.81 0.18 -0.19 -0.22 -0.54 0.00 0.00 174.62 174.66 3hyy s LEU 89 N -1.47 2.26 -0.10 4.79 2.96 -0.53 -0.95 118.68 125.64 3hyy s LEU 89 Ca 0.09 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.46 3hyy s LEU 89 Cb -0.10 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 3hyy s LEU 89 CO 0.03 0.09 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.15 3hyy s THR 90 N 0.79 3.36 -0.29 3.68 2.01 -0.06 -0.61 115.64 124.52 3hyy s THR 90 Ca -0.07 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.32 3hyy s THR 90 Cb -0.16 -2.39 0.03 0.00 0.01 0.00 0.00 72.50 70.00 3hyy s THR 90 CO -0.01 0.55 0.01 -0.63 -0.69 0.00 0.00 174.62 173.86 3hyy s ILE 91 N -0.18 3.27 -0.11 1.82 1.09 -0.11 -0.33 121.20 126.65 3hyy s ILE 91 Ca 0.01 -1.10 -0.00 0.00 -1.10 0.00 0.00 60.65 58.46 3hyy s ILE 91 Cb -0.13 -2.77 -0.02 0.00 -1.06 0.00 0.00 42.46 38.48 3hyy s ILE 91 CO 0.03 0.01 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.11 3hyy s VAL 92 N 1.35 3.51 0.18 2.92 1.01 -0.11 -0.36 120.40 128.90 3hyy s VAL 92 Ca -0.02 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.50 3hyy s VAL 92 Cb -0.18 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 3hyy s VAL 92 CO -0.01 0.55 -0.11 1.51 0.00 0.00 0.00 175.10 177.04 3hyy s ASP 93 N -0.14 2.15 -0.60 3.32 1.47 -0.04 -0.70 116.67 122.14 3hyy s ASP 93 Ca 0.01 -1.04 -0.00 0.00 1.18 0.00 0.00 52.55 52.70 3hyy s ASP 93 Cb -0.13 -0.07 0.45 0.00 -0.34 0.00 0.00 42.92 42.83 3hyy s ASP 93 CO 0.03 -0.28 1.85 0.35 0.68 0.00 0.00 175.17 177.80 3hyy n THR 94 N -0.30 3.39 -0.03 2.11 -2.24 -0.97 -2.36 114.28 113.87 3hyy n THR 94 Ca -0.09 -3.29 0.00 0.00 -2.27 0.00 0.00 64.05 58.40 3hyy n THR 94 Cb 0.61 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 3hyy n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hyy n GLY 95 N -0.85 -0.98 0.29 3.38 0.00 -1.26 -4.68 105.19 101.09 3hyy n GLY 95 Ca 0.58 -1.60 0.18 0.00 0.00 0.00 0.00 46.02 45.19 3hyy n GLY 95 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hyy h ILE 96 N -0.11 0.11 -0.63 -0.61 2.10 -1.41 -3.21 117.51 113.75 3hyy h ILE 96 Ca 0.00 -0.41 0.08 0.00 1.08 0.00 0.00 64.86 65.61 3hyy h ILE 96 Cb 0.00 1.36 -0.02 0.00 -1.09 0.00 0.00 36.82 37.07 3hyy h ILE 96 CO 0.00 0.03 -0.12 0.61 -1.08 0.00 0.00 178.15 177.59 3hyy n GLY 97 N -0.37 -1.58 3.08 8.18 0.00 -1.26 -4.33 105.19 108.90 3hyy n GLY 97 Ca -0.01 -1.45 -0.24 0.00 0.00 0.00 0.00 46.02 44.32 3hyy n GLY 97 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hyy s MET 98 N -1.52 1.41 0.84 1.61 -1.94 -1.26 -4.78 119.30 113.66 3hyy s MET 98 Ca 0.00 -0.48 -0.12 0.00 -1.71 0.00 0.00 55.69 53.38 3hyy s MET 98 Cb 0.00 -1.26 0.10 0.00 2.01 0.00 0.00 34.83 35.68 3hyy s MET 98 CO 0.00 0.20 1.12 0.95 -0.01 0.00 0.00 175.02 177.27 3hyy s THR 99 N 0.08 2.57 0.26 2.05 -4.23 -1.26 -3.90 115.64 111.21 3hyy s THR 99 Ca -0.03 0.19 -0.03 0.00 -1.18 0.00 0.00 61.69 60.63 3hyy s THR 99 Cb -0.10 -2.96 0.25 0.00 1.34 0.00 0.00 72.50 71.03 3hyy s THR 99 CO 0.01 -0.24 1.87 0.50 -0.54 0.00 0.00 174.62 176.22 3hyy h LYS 100 N -1.24 1.05 -0.46 3.99 3.64 -1.98 -2.03 116.57 119.55 3hyy h LYS 100 Ca -0.48 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 58.80 3hyy h LYS 100 Cb 1.30 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 3hyy h LYS 100 CO 0.61 0.69 0.15 0.00 -2.27 0.00 0.00 179.45 178.63 3hyy h ALA 101 N 1.44 1.40 -0.13 5.00 0.00 -1.98 -0.92 119.26 124.07 3hyy h ALA 101 Ca 0.41 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hyy h ALA 101 Cb 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hyy h ALA 101 CO -0.18 0.44 0.06 -0.44 0.00 0.00 0.00 179.25 179.14 3hyy h ASP 102 N 0.66 0.17 -0.74 0.00 3.32 -1.78 0.23 116.42 118.28 3hyy h ASP 102 Ca 0.15 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 3hyy h ASP 102 Cb 0.19 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3hyy h ASP 102 CO -0.01 0.25 0.29 -0.07 -1.72 0.00 0.00 179.24 177.98 3hyy h LEU 103 N 0.09 1.03 0.03 1.55 3.38 -0.67 -1.52 115.31 119.20 3hyy h LEU 103 Ca 0.05 -0.16 -0.35 0.00 0.09 0.00 0.00 57.88 57.51 3hyy h LEU 103 Cb 0.12 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3hyy h LEU 103 CO -0.01 0.92 -2.12 -0.38 0.09 0.00 0.00 178.44 176.94 3hyy n ILE 104 N -4.28 1.56 0.04 1.22 5.41 -0.43 -4.80 119.36 118.08 3hyy n ILE 104 Ca 0.07 -0.74 0.00 0.00 1.00 0.00 0.00 62.75 63.08 3hyy n ILE 104 Cb 0.19 -1.09 0.00 0.00 -0.71 0.00 0.00 39.64 38.03 3hyy n ILE 104 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3hyy n ASN 105 N -3.09 0.50 -0.07 4.38 3.02 0.44 -4.79 115.26 115.65 3hyy n ASN 105 Ca -0.31 0.12 -0.12 0.00 -0.03 0.00 0.00 54.58 54.25 3hyy n ASN 105 Cb 1.07 -0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 40.08 3hyy n ASN 105 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3hyy h ASN 106 N 0.00 0.39 -0.71 6.41 -0.26 -0.60 -1.33 115.58 119.48 3hyy h ASN 106 Ca 0.00 -0.33 -0.03 0.00 -0.56 0.00 0.00 56.30 55.37 3hyy h ASN 106 Cb 0.34 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.46 3hyy h ASN 106 CO 0.00 0.63 0.32 -0.07 -1.06 0.00 0.00 177.43 177.25 3hyy h LEU 107 N 0.14 0.96 -0.96 1.61 3.38 -1.50 -1.87 115.31 117.07 3hyy h LEU 107 Ca 0.06 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3hyy h LEU 107 Cb 0.45 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3hyy h LEU 107 CO 0.02 0.84 0.16 1.23 0.09 0.00 0.00 178.44 180.77 3hyy h GLY 108 N 1.10 0.98 1.37 0.83 0.00 -1.72 0.36 103.07 105.99 3hyy h GLY 108 Ca 0.25 -0.57 -0.23 0.00 0.00 0.00 0.00 47.33 46.78 3hyy h GLY 108 CO -0.03 0.53 -0.91 -0.91 0.00 0.00 0.00 176.54 175.23 3hyy h THR 109 N 0.88 1.33 -0.60 4.70 1.35 -0.74 -2.06 112.91 117.77 3hyy h THR 109 Ca 0.19 -2.24 -0.00 0.00 -0.55 0.00 0.00 66.41 63.82 3hyy h THR 109 Cb 0.30 2.26 -0.03 0.00 -1.73 0.00 0.00 68.15 68.95 3hyy h THR 109 CO -0.00 0.68 0.37 -0.29 -0.25 0.00 0.00 175.52 176.03 3hyy h ILE 110 N 0.36 1.18 0.00 6.82 2.10 -1.21 -3.03 117.51 123.72 3hyy h ILE 110 Ca -0.08 -0.39 -0.02 0.00 1.08 0.00 0.00 64.86 65.45 3hyy h ILE 110 Cb 1.54 0.34 -0.00 0.00 -1.09 0.00 0.00 36.82 37.61 3hyy h ILE 110 CO 0.17 0.18 -0.11 0.00 -1.08 0.00 0.00 178.15 177.32 3hyy h ALA 111 N 1.19 1.29 0.09 0.18 0.00 -0.14 -3.06 119.26 118.82 3hyy h ALA 111 Ca 0.22 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hyy h ALA 111 Cb -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hyy h ALA 111 CO -0.04 0.13 -0.04 -0.22 0.00 0.00 0.00 179.25 179.08 3hyy h LYS 112 N 0.00 -0.12 0.00 0.00 3.64 -1.24 -0.44 116.57 118.41 3hyy h LYS 112 Ca -0.00 0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 3hyy h LYS 112 Cb 0.31 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 3hyy h LYS 112 CO 0.01 0.06 -0.83 0.66 -2.27 0.00 0.00 179.45 177.08 3hyy h SER 113 N -0.27 0.01 -0.74 4.20 4.64 -1.69 -2.51 113.55 117.18 3hyy h SER 113 Ca -0.01 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 3hyy h SER 113 Cb 0.23 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 3hyy h SER 113 CO 0.02 0.83 0.31 1.23 -0.87 0.00 0.00 176.83 178.36 3hyy h GLY 114 N 2.47 1.17 0.99 -0.77 0.00 -1.52 -1.94 103.07 103.48 3hyy h GLY 114 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.70 3hyy h GLY 114 CO 0.11 0.59 0.17 -0.84 0.00 0.00 0.00 176.54 176.57 3hyy h THR 115 N 1.06 1.08 -0.37 4.70 2.02 -0.93 0.36 112.91 120.83 3hyy h THR 115 Ca 0.25 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 3hyy h THR 115 Cb 0.19 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3hyy h THR 115 CO -0.02 0.08 0.13 0.50 0.37 0.00 0.00 175.52 176.57 3hyy h LYS 116 N 0.35 0.56 -0.55 6.66 3.64 -1.31 0.21 116.57 126.12 3hyy h LYS 116 Ca 0.10 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3hyy h LYS 116 Cb -0.02 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 3hyy h LYS 116 CO -0.02 0.55 0.30 0.00 -2.27 0.00 0.00 179.45 178.02 3hyy h ALA 117 N 0.98 0.71 -0.27 5.00 0.00 -1.18 -1.21 119.26 123.28 3hyy h ALA 117 Ca 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hyy h ALA 117 Cb 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hyy h ALA 117 CO -0.01 0.23 0.13 0.35 0.00 0.00 0.00 179.25 179.95 3hyy h PHE 118 N 0.74 0.39 -0.49 0.00 3.57 -0.32 0.59 116.94 121.42 3hyy h PHE 118 Ca 0.19 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.74 3hyy h PHE 118 Cb 0.05 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.61 3hyy h PHE 118 CO -0.01 0.37 0.18 0.52 -2.23 0.00 0.00 178.31 177.13 3hyy h MET 119 N 0.30 0.34 -0.15 1.11 2.86 -0.42 0.27 114.93 119.24 3hyy h MET 119 Ca 0.09 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3hyy h MET 119 Cb 0.13 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 3hyy h MET 119 CO -0.01 0.23 -0.04 0.93 1.06 0.00 0.00 176.91 179.07 3hyy h GLU 120 N 0.35 -0.01 -0.60 1.72 5.08 -0.82 -2.14 114.58 118.15 3hyy h GLU 120 Ca 0.23 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.66 3hyy h GLU 120 Cb 0.24 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 3hyy h GLU 120 CO -0.24 -0.00 0.29 0.00 -1.00 0.00 0.00 179.01 178.06 3hyy h ALA 121 N 1.15 0.80 -0.78 3.43 0.00 -0.44 -1.96 119.26 121.45 3hyy h ALA 121 Ca 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hyy h ALA 121 Cb 0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3hyy h ALA 121 CO -0.16 -0.07 0.43 -0.07 0.00 0.00 0.00 179.25 179.37 3hyy h LEU 122 N 0.54 0.96 -1.14 0.00 3.38 -0.75 -0.32 115.31 117.98 3hyy h LEU 122 Ca 0.28 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3hyy h LEU 122 Cb 0.25 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3hyy h LEU 122 CO -0.22 0.77 0.26 1.56 0.09 0.00 0.00 178.44 180.90 3hyy h GLN 123 N 1.09 0.86 -0.24 1.13 4.20 -0.93 -2.62 115.11 118.60 3hyy h GLN 123 Ca 0.27 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3hyy h GLN 123 Cb 0.02 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.65 3hyy h GLN 123 CO -0.04 0.69 0.00 0.00 -0.67 0.00 0.00 178.83 178.80 3hyy n ALA 124 N -2.45 2.50 -0.43 3.87 0.00 -0.64 -4.91 120.51 118.45 3hyy n ALA 124 Ca 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3hyy n ALA 124 Cb 0.15 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3hyy n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hyy n GLY 125 N 0.75 0.75 3.87 0.00 0.00 -0.96 -5.04 105.19 104.56 3hyy n GLY 125 Ca 0.06 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 3hyy n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hyy s ALA 126 N -2.00 2.57 0.15 4.61 0.00 -0.22 -4.98 121.76 121.89 3hyy s ALA 126 Ca 0.00 -0.50 0.08 0.00 0.00 0.00 0.00 51.96 51.54 3hyy s ALA 126 Cb 0.00 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 3hyy s ALA 126 CO 0.00 -1.60 -0.11 0.34 0.00 0.00 0.00 175.76 174.39 3hyy s ASP 127 N -4.38 4.23 0.48 0.00 2.15 -1.26 -4.53 116.67 113.36 3hyy s ASP 127 Ca 0.61 -0.53 0.26 0.00 0.43 0.00 0.00 52.55 53.31 3hyy s ASP 127 Cb -0.12 -0.72 1.31 0.00 -0.30 0.00 0.00 42.92 43.10 3hyy s ASP 127 CO 0.51 0.13 1.86 0.40 -0.17 0.00 0.00 175.17 177.90 3hyy h ILE 128 N 2.98 0.59 0.00 4.11 2.04 -1.99 -1.18 117.51 124.06 3hyy h ILE 128 Ca -0.48 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.32 3hyy h ILE 128 Cb 1.19 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3hyy h ILE 128 CO 0.52 0.03 0.00 0.77 0.00 0.00 0.00 178.15 179.48 3hyy h SER 129 N 0.17 0.00 -0.01 1.72 4.64 -1.94 -1.13 113.55 116.99 3hyy h SER 129 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3hyy h SER 129 Cb 1.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 3hyy h SER 129 CO -0.09 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.10 3hyy n MET 130 N -2.57 1.30 -0.32 4.77 2.81 -0.44 -4.41 117.12 118.25 3hyy n MET 130 Ca -0.01 -0.44 0.21 0.00 -1.81 0.00 0.00 57.70 55.65 3hyy n MET 130 Cb 0.11 -1.48 0.47 0.00 -0.71 0.00 0.00 33.22 31.61 3hyy n MET 130 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3hyy h ILE 131 N 1.05 0.56 0.00 2.02 2.10 -1.37 0.81 117.51 122.67 3hyy h ILE 131 Ca 0.00 -0.16 -0.03 0.00 1.08 0.00 0.00 64.86 65.75 3hyy h ILE 131 Cb 0.22 0.05 -0.00 0.00 -1.09 0.00 0.00 36.82 36.00 3hyy h ILE 131 CO 0.00 0.09 -0.16 1.23 -1.08 0.00 0.00 178.15 178.23 3hyy h GLY 132 N 0.47 0.00 2.00 8.18 0.00 -1.85 -1.45 103.07 110.42 3hyy h GLY 132 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.92 3hyy h GLY 132 CO -0.33 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.15 3hyy n GLN 133 N -4.10 0.06 -0.15 4.80 6.02 0.28 -2.34 117.38 121.95 3hyy n GLN 133 Ca -0.02 0.44 0.05 0.00 -0.01 0.00 0.00 57.00 57.46 3hyy n GLN 133 Cb 0.23 -1.66 0.12 0.00 1.02 0.00 0.00 30.24 29.95 3hyy n GLN 133 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3hyy n PHE 134 N -1.79 0.35 -1.38 1.08 3.72 -0.55 -4.98 117.46 113.91 3hyy n PHE 134 Ca 0.01 -0.60 -0.13 0.00 -0.05 0.00 0.00 57.45 56.68 3hyy n PHE 134 Cb 0.10 -0.09 -0.06 0.00 -0.94 0.00 0.00 39.48 38.49 3hyy n PHE 134 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hyy n GLY 135 N -0.13 1.39 0.45 1.37 0.00 -0.99 -4.34 105.19 102.95 3hyy n GLY 135 Ca 0.10 -0.41 0.06 0.00 0.00 0.00 0.00 46.02 45.77 3hyy n GLY 135 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hyy n VAL 136 N -2.62 1.31 -0.06 1.61 0.24 -1.24 -4.81 118.33 112.76 3hyy n VAL 136 Ca -0.13 -1.82 0.23 0.00 -2.04 0.00 0.00 64.34 60.59 3hyy n VAL 136 Cb 0.43 0.07 0.71 0.00 -1.47 0.00 0.00 33.84 33.59 3hyy n VAL 136 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3hyy h GLY 137 N 0.34 0.00 -0.36 7.63 0.00 -1.85 -2.00 103.07 106.83 3hyy h GLY 137 Ca -0.03 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.57 3hyy h GLY 137 CO 0.01 0.00 0.45 -2.75 0.00 0.00 0.00 176.54 174.25 3hyy h PHE 138 N 0.00 0.74 0.00 5.60 3.57 -1.87 -0.53 116.94 124.45 3hyy h PHE 138 Ca 0.31 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.85 3hyy h PHE 138 Cb 1.28 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.85 3hyy h PHE 138 CO 0.00 -0.11 0.00 0.66 -2.23 0.00 0.00 178.31 176.63 3hyy n TYR 139 N -5.06 0.05 0.31 0.41 4.01 -0.75 -1.50 117.16 114.63 3hyy n TYR 139 Ca 0.26 0.02 0.08 0.00 -0.16 0.00 0.00 57.90 58.09 3hyy n TYR 139 Cb 0.79 -0.53 0.34 0.00 -0.31 0.00 0.00 39.34 39.63 3hyy n TYR 139 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3hyy n SER 140 N -1.54 0.28 0.14 7.72 3.41 -0.21 -1.70 113.62 121.72 3hyy n SER 140 Ca 0.04 0.59 0.15 0.00 -0.26 0.00 0.00 58.87 59.39 3hyy n SER 140 Cb 0.19 -0.64 0.71 0.00 -0.26 0.00 0.00 64.21 64.21 3hyy n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hyy h ALA 141 N 2.25 2.16 0.00 7.33 0.00 -1.44 -0.79 119.26 128.77 3hyy h ALA 141 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hyy h ALA 141 Cb 0.19 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hyy h ALA 141 CO 0.00 -0.34 0.00 0.66 0.00 0.00 0.00 179.25 179.57 3hyy n TYR 142 N -4.29 0.00 -0.31 0.00 4.01 -0.69 -1.59 117.16 114.30 3hyy n TYR 142 Ca 0.03 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.79 3hyy n TYR 142 Cb 0.36 -0.30 0.20 0.00 -0.31 0.00 0.00 39.34 39.29 3hyy n TYR 142 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3hyy h LEU 143 N 0.00 0.97 0.00 7.72 3.38 -1.34 -3.37 115.31 122.68 3hyy h LEU 143 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hyy h LEU 143 Cb 0.22 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hyy h LEU 143 CO 0.00 0.66 -0.85 1.33 0.09 0.00 0.00 178.44 179.67 3hyy n VAL 144 N -4.45 0.00 -4.79 1.22 0.24 -0.93 -5.01 118.33 104.61 3hyy n VAL 144 Ca 0.13 -0.21 -0.33 0.00 -2.04 0.00 0.00 64.34 61.89 3hyy n VAL 144 Cb 0.12 0.61 -0.14 0.00 -1.47 0.00 0.00 33.84 32.97 3hyy n VAL 144 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hyy s ALA 145 N -1.99 2.68 -0.34 2.33 0.00 -0.62 -0.17 121.76 123.65 3hyy s ALA 145 Ca -0.00 -0.92 0.21 0.00 0.00 0.00 0.00 51.96 51.25 3hyy s ALA 145 Cb 0.03 -1.14 0.21 0.00 0.00 0.00 0.00 23.12 22.22 3hyy s ALA 145 CO 0.18 0.38 1.46 1.05 0.00 0.00 0.00 175.76 178.83 3hyy h GLU 146 N 6.11 0.00 -3.28 0.00 4.11 -1.19 -3.41 114.58 116.92 3hyy h GLU 146 Ca -0.35 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 58.91 3hyy h GLU 146 Cb 1.19 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.19 3hyy h GLU 146 CO 0.54 0.12 -0.47 0.21 0.07 0.00 0.00 179.01 179.48 3hyy s LYS 147 N -3.17 0.32 -0.08 1.06 2.20 -1.20 -4.50 119.74 114.37 3hyy s LYS 147 Ca 0.05 0.12 0.02 0.00 -0.36 0.00 0.00 55.97 55.80 3hyy s LYS 147 Cb 0.06 0.15 0.01 0.00 -1.51 0.00 0.00 37.83 36.54 3hyy s LYS 147 CO 0.71 -0.06 -0.14 0.08 -0.36 0.00 0.00 175.35 175.58 3hyy s VAL 148 N -0.27 1.32 -0.07 4.02 1.01 -0.74 -1.08 120.40 124.58 3hyy s VAL 148 Ca -0.04 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.40 3hyy s VAL 148 Cb -0.03 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 3hyy s VAL 148 CO 0.01 0.40 -0.14 -0.89 0.00 0.00 0.00 175.10 174.47 3hyy s THR 149 N 0.72 3.05 -0.10 3.92 2.01 -0.58 -1.62 115.64 123.04 3hyy s THR 149 Ca -0.13 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.17 3hyy s THR 149 Cb -0.16 -2.22 0.02 0.00 0.01 0.00 0.00 72.50 70.15 3hyy s THR 149 CO 0.03 0.57 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.72 3hyy s VAL 150 N -0.40 1.30 -0.15 3.82 1.01 0.11 -0.04 120.40 126.04 3hyy s VAL 150 Ca 0.05 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 3hyy s VAL 150 Cb -0.12 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 3hyy s VAL 150 CO 0.02 0.40 0.01 -0.63 0.00 0.00 0.00 175.10 174.91 3hyy s ILE 151 N 1.16 4.38 0.04 2.22 -1.09 0.49 -0.84 121.20 127.56 3hyy s ILE 151 Ca -0.04 -0.19 -0.12 0.00 -2.23 0.00 0.00 60.65 58.07 3hyy s ILE 151 Cb -0.14 -2.93 0.01 0.00 -1.58 0.00 0.00 42.46 37.82 3hyy s ILE 151 CO -0.03 0.51 0.27 0.28 -1.23 0.00 0.00 174.94 174.73 3hyy s THR 152 N 0.07 0.09 -0.18 2.92 -1.32 -0.42 0.01 115.64 116.82 3hyy s THR 152 Ca 0.03 -0.74 -0.05 0.00 -1.21 0.00 0.00 61.69 59.72 3hyy s THR 152 Cb -0.13 -0.92 0.09 0.00 -1.51 0.00 0.00 72.50 70.03 3hyy s THR 152 CO 0.02 -0.41 0.31 -0.75 -2.21 0.00 0.00 174.62 171.58 3hyy s LYS 153 N -2.52 0.22 -0.01 7.08 2.47 0.29 -0.87 119.74 126.41 3hyy s LYS 153 Ca -0.05 0.68 -0.01 0.00 -1.56 0.00 0.00 55.97 55.03 3hyy s LYS 153 Cb -0.01 -0.23 -0.04 0.00 -1.46 0.00 0.00 37.83 36.09 3hyy s LYS 153 CO -0.03 -0.40 0.10 -1.58 0.16 0.00 0.00 175.35 173.59 3hyy s HIS 154 N 2.47 3.34 0.42 4.03 5.65 -1.25 -0.96 115.29 128.98 3hyy s HIS 154 Ca 0.04 0.24 0.19 0.00 0.25 0.00 0.00 55.06 55.78 3hyy s HIS 154 Cb -0.13 -1.76 1.12 0.00 -1.18 0.00 0.00 32.58 30.63 3hyy s HIS 154 CO -0.11 0.57 1.82 -0.91 -0.65 0.00 0.00 174.74 175.46 3hyy h ASN 155 N 4.11 0.39 -0.30 9.88 2.35 -1.90 -2.21 115.58 127.90 3hyy h ASN 155 Ca -0.49 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 3hyy h ASN 155 Cb 1.18 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.54 3hyy h ASN 155 CO 0.63 0.13 0.00 0.47 -1.65 0.00 0.00 177.43 177.01 3hyy n ASP 156 N -4.53 1.99 -3.45 5.81 8.00 -1.26 -4.95 116.55 118.17 3hyy n ASP 156 Ca 0.22 -2.09 -0.10 0.00 0.71 0.00 0.00 54.79 53.52 3hyy n ASP 156 Cb 0.80 -0.30 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 3hyy n ASP 156 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hyy s ASP 157 N -0.84 0.17 0.73 -2.24 -1.08 -0.83 -5.11 116.67 107.47 3hyy s ASP 157 Ca 0.22 -1.09 -0.11 0.00 -0.52 0.00 0.00 52.55 51.04 3hyy s ASP 157 Cb 0.13 0.71 0.04 0.00 -1.46 0.00 0.00 42.92 42.33 3hyy s ASP 157 CO 0.13 -1.39 1.11 -0.70 0.52 0.00 0.00 175.17 174.84 3hyy s GLU 158 N -3.22 2.56 0.09 4.34 2.56 -1.26 -4.48 118.70 119.29 3hyy s GLU 158 Ca 0.21 0.31 -0.30 0.00 0.00 0.00 0.00 54.97 55.18 3hyy s GLU 158 Cb -0.03 -2.02 -0.06 0.00 2.00 0.00 0.00 34.13 34.03 3hyy s GLU 158 CO 0.12 -1.20 1.14 -1.14 -0.56 0.00 0.00 175.26 173.62 3hyy s GLN 159 N -5.41 4.50 0.16 4.30 0.74 -1.26 -4.45 119.66 118.24 3hyy s GLN 159 Ca 0.59 1.71 0.09 0.00 0.05 0.00 0.00 55.36 57.81 3hyy s GLN 159 Cb -0.11 -3.34 -0.04 0.00 1.10 0.00 0.00 33.01 30.62 3hyy s GLN 159 CO 0.50 -0.13 -0.21 0.71 -0.55 0.00 0.00 175.29 175.62 3hyy s TYR 160 N 0.63 1.99 -0.15 1.67 2.02 -0.05 -1.32 117.35 122.14 3hyy s TYR 160 Ca 0.55 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.84 3hyy s TYR 160 Cb -0.28 -1.02 0.00 0.00 -0.40 0.00 0.00 41.96 40.26 3hyy s TYR 160 CO 0.31 0.35 -0.18 0.00 -1.57 0.00 0.00 175.55 174.46 3hyy s ALA 161 N -1.66 2.41 0.07 3.71 0.00 0.60 -1.30 121.76 125.58 3hyy s ALA 161 Ca 0.15 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 51.07 3hyy s ALA 161 Cb -0.08 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 3hyy s ALA 161 CO 0.07 -0.05 0.04 -0.46 0.00 0.00 0.00 175.76 175.36 3hyy s TRP 162 N 0.84 3.09 -0.08 0.00 -0.00 -0.02 -0.98 118.94 121.79 3hyy s TRP 162 Ca -0.05 0.04 -0.20 0.00 -0.00 0.00 0.00 56.10 55.89 3hyy s TRP 162 Cb -0.15 -1.60 0.04 0.00 -0.00 0.00 0.00 33.47 31.76 3hyy s TRP 162 CO -0.01 0.50 0.46 -2.00 -0.00 0.00 0.00 176.95 175.90 3hyy s GLU 163 N -2.21 0.73 -0.26 5.86 2.12 -0.74 0.04 118.70 124.25 3hyy s GLU 163 Ca 0.26 0.22 -0.19 0.00 0.36 0.00 0.00 54.97 55.62 3hyy s GLU 163 Cb -0.12 0.34 0.07 0.00 0.26 0.00 0.00 34.13 34.68 3hyy s GLU 163 CO 0.18 -0.18 0.66 0.45 -0.54 0.00 0.00 175.26 175.83 3hyy s SER 164 N -0.75 -0.78 -0.38 -1.70 0.15 -0.64 -0.78 113.70 108.82 3hyy s SER 164 Ca -0.08 1.38 0.06 0.00 0.70 0.00 0.00 55.95 58.01 3hyy s SER 164 Cb -0.03 1.33 0.62 0.00 -1.71 0.00 0.00 66.02 66.23 3hyy s SER 164 CO 0.04 -0.23 1.75 -1.20 1.20 0.00 0.00 173.24 174.81 3hyy n SER 165 N 3.47 3.44 0.00 5.45 7.64 -1.26 -1.79 113.62 130.57 3hyy n SER 165 Ca -0.17 -3.62 0.00 0.00 1.01 0.00 0.00 58.87 56.09 3hyy n SER 165 Cb 0.57 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 3hyy n SER 165 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hyy n ALA 166 N -1.04 0.00 -1.25 -0.43 0.00 -1.26 -4.90 120.51 111.64 3hyy n ALA 166 Ca 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.84 3hyy n ALA 166 Cb 1.43 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.84 3hyy n ALA 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hyy n GLY 167 N 0.00 0.86 0.63 0.00 0.00 -1.26 -3.53 105.19 101.89 3hyy n GLY 167 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3hyy n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hyy n GLY 168 N 0.13 0.61 3.28 -0.02 0.00 -1.26 -5.04 105.19 102.89 3hyy n GLY 168 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 3hyy n GLY 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hyy s SER 169 N -2.89 1.40 0.12 1.61 1.04 -1.23 -1.83 113.70 111.92 3hyy s SER 169 Ca 0.00 -1.23 -0.03 0.00 0.48 0.00 0.00 55.95 55.17 3hyy s SER 169 Cb 0.00 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 3hyy s SER 169 CO 0.00 -0.58 0.10 0.72 0.98 0.00 0.00 173.24 174.46 3hyy s PHE 170 N -3.60 0.65 0.17 5.02 -0.12 -0.21 -4.38 117.98 115.50 3hyy s PHE 170 Ca 0.28 -1.05 0.10 0.00 -0.05 0.00 0.00 56.93 56.21 3hyy s PHE 170 Cb 0.06 -0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 42.07 3hyy s PHE 170 CO 0.07 -0.54 -0.23 0.95 -0.05 0.00 0.00 175.22 175.43 3hyy s THR 171 N -3.99 2.16 -0.01 -4.49 -4.23 0.04 -0.20 115.64 104.91 3hyy s THR 171 Ca 0.18 -1.93 0.02 0.00 -1.18 0.00 0.00 61.69 58.78 3hyy s THR 171 Cb 0.06 -1.99 -0.00 0.00 1.34 0.00 0.00 72.50 71.91 3hyy s THR 171 CO -0.02 -0.14 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.17 3hyy s VAL 172 N -1.65 0.52 0.03 2.29 1.01 -0.43 -1.79 120.40 120.38 3hyy s VAL 172 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3hyy s VAL 172 Cb -0.08 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 3hyy s VAL 172 CO 0.08 0.15 -0.04 0.00 0.00 0.00 0.00 175.10 175.30 3hyy s ARG 173 N -0.07 0.44 0.17 2.72 1.70 -0.15 -1.33 118.95 122.42 3hyy s ARG 173 Ca 0.01 -0.82 -0.31 0.00 -0.47 0.00 0.00 55.73 54.14 3hyy s ARG 173 Cb -0.03 0.07 -0.10 0.00 -0.57 0.00 0.00 34.95 34.32 3hyy s ARG 173 CO -0.00 -0.05 1.56 0.99 -1.08 0.00 0.00 175.30 176.72 3hyy s THR 174 N -2.20 2.61 -0.12 4.99 2.01 -1.26 -0.29 115.64 121.38 3hyy s THR 174 Ca -0.08 0.44 -0.16 0.00 0.31 0.00 0.00 61.69 62.20 3hyy s THR 174 Cb -0.05 -3.28 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 3hyy s THR 174 CO -0.03 0.04 0.40 -0.62 -0.69 0.00 0.00 174.62 173.71 3hyy s ASP 175 N 1.09 6.60 0.00 3.53 2.15 -0.44 -4.76 116.67 124.84 3hyy s ASP 175 Ca 0.69 0.71 0.12 0.00 0.43 0.00 0.00 52.55 54.51 3hyy s ASP 175 Cb -0.44 -2.24 0.09 0.00 -0.30 0.00 0.00 42.92 40.03 3hyy s ASP 175 CO 0.32 0.07 0.88 0.35 -0.17 0.00 0.00 175.17 176.63 3hyy n THR 176 N 3.45 0.00 0.00 1.71 -2.24 -1.26 -4.76 114.28 111.18 3hyy n THR 176 Ca -0.10 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3hyy n THR 176 Cb 0.52 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 3hyy n THR 176 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hyy n GLY 177 N 0.72 -3.03 3.68 3.38 0.00 -1.26 -4.85 105.19 103.83 3hyy n GLY 177 Ca 0.07 -1.01 -0.44 0.00 0.00 0.00 0.00 46.02 44.64 3hyy n GLY 177 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hyy n GLU 178 N -1.04 2.61 -1.73 1.61 2.13 -1.26 -4.90 120.64 118.06 3hyy n GLU 178 Ca 0.00 0.95 -0.42 0.00 0.66 0.00 0.00 57.16 58.35 3hyy n GLU 178 Cb 0.00 -2.84 -0.02 0.00 0.27 0.00 0.00 31.44 28.85 3hyy n GLU 178 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3hyy n PRO 179 N 6.19 2.65 0.00 5.31 -0.02 -1.26 -4.93 135.00 142.94 3hyy n PRO 179 Ca 0.20 0.95 0.11 0.00 -2.02 0.00 0.00 63.50 62.73 3hyy n PRO 179 Cb 0.36 -2.74 0.01 0.00 -0.02 0.00 0.00 33.50 31.11 3hyy n PRO 179 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hyy n MET 180 N 2.72 0.37 0.00 -0.52 0.00 -1.26 -5.01 117.12 113.41 3hyy n MET 180 Ca 0.11 -0.29 0.00 0.00 0.00 0.00 0.00 57.70 57.52 3hyy n MET 180 Cb 0.35 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 32.08 3hyy n MET 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3hyy n GLY 181 N 1.47 2.05 3.64 3.17 0.00 -1.26 -4.70 105.19 109.55 3hyy n GLY 181 Ca 0.06 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 3hyy n GLY 181 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hyy s ARG 182 N 0.00 0.45 0.00 1.61 3.52 -1.24 -4.84 118.95 118.45 3hyy s ARG 182 Ca 0.00 0.62 0.00 0.00 -0.13 0.00 0.00 55.73 56.22 3hyy s ARG 182 Cb 0.00 0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.56 3hyy s ARG 182 CO 0.00 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 174.83 3hyy n GLY 183 N 2.82 0.81 2.95 8.12 0.00 -0.13 -4.47 105.19 115.29 3hyy n GLY 183 Ca -0.15 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 3hyy n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hyy s THR 184 N -2.78 -0.02 -0.14 2.61 2.01 -1.00 -0.55 115.64 115.77 3hyy s THR 184 Ca 0.00 0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.11 3hyy s THR 184 Cb 0.00 -0.19 0.01 0.00 0.01 0.00 0.00 72.50 72.33 3hyy s THR 184 CO 0.00 0.04 -0.20 -0.75 -0.69 0.00 0.00 174.62 173.02 3hyy s LYS 185 N 0.59 2.83 -0.27 4.92 2.20 0.10 -0.86 119.74 129.25 3hyy s LYS 185 Ca -0.04 -0.78 -0.08 0.00 -0.36 0.00 0.00 55.97 54.71 3hyy s LYS 185 Cb -0.06 -2.34 -0.02 0.00 -1.51 0.00 0.00 37.83 33.90 3hyy s LYS 185 CO -0.03 -0.07 0.09 0.08 -0.36 0.00 0.00 175.35 175.06 3hyy s VAL 186 N 0.97 4.31 -0.31 4.02 1.01 0.51 -0.38 120.40 130.54 3hyy s VAL 186 Ca -0.04 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 3hyy s VAL 186 Cb -0.15 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.15 3hyy s VAL 186 CO -0.04 0.23 0.11 -0.63 0.00 0.00 0.00 175.10 174.77 3hyy s ILE 187 N 1.59 4.12 -0.45 2.22 1.01 0.94 -0.94 121.20 129.69 3hyy s ILE 187 Ca 0.05 -0.73 -0.19 0.00 0.00 0.00 0.00 60.65 59.79 3hyy s ILE 187 Cb -0.16 -3.17 0.03 0.00 0.01 0.00 0.00 42.46 39.18 3hyy s ILE 187 CO 0.04 0.01 0.56 -0.76 0.00 0.00 0.00 174.94 174.78 3hyy s LEU 188 N 1.51 4.80 -0.69 2.97 1.43 0.22 -1.52 118.68 127.40 3hyy s LEU 188 Ca 0.02 -0.66 -0.27 0.00 -1.03 0.00 0.00 54.13 52.19 3hyy s LEU 188 Cb -0.18 -2.51 0.03 0.00 0.03 0.00 0.00 46.19 43.57 3hyy s LEU 188 CO 0.04 -0.74 1.26 -1.00 0.23 0.00 0.00 176.35 176.14 3hyy s HIS 189 N 2.49 2.36 0.36 0.29 3.76 -0.24 -1.45 115.29 122.86 3hyy s HIS 189 Ca 0.16 0.09 -0.26 0.00 -0.15 0.00 0.00 55.06 54.90 3hyy s HIS 189 Cb -0.17 -4.59 -0.09 0.00 1.11 0.00 0.00 32.58 28.84 3hyy s HIS 189 CO 0.15 -1.95 1.08 -0.51 -0.85 0.00 0.00 174.74 172.66 3hyy s LEU 190 N 5.57 4.29 0.57 0.89 1.43 -0.69 -0.75 118.68 130.00 3hyy s LEU 190 Ca 0.38 2.16 -0.20 0.00 -1.03 0.00 0.00 54.13 55.43 3hyy s LEU 190 Cb -0.08 -3.97 -0.04 0.00 0.03 0.00 0.00 46.19 42.13 3hyy s LEU 190 CO 0.18 -0.40 1.29 -0.54 0.23 0.00 0.00 176.35 177.12 3hyy s LYS 191 N -2.10 3.01 0.55 1.70 1.02 0.75 -4.60 119.74 120.07 3hyy s LYS 191 Ca 0.53 2.07 0.25 0.00 0.02 0.00 0.00 55.97 58.84 3hyy s LYS 191 Cb -0.27 -2.10 1.57 0.00 -0.52 0.00 0.00 37.83 36.52 3hyy s LYS 191 CO 0.34 -1.24 2.18 1.05 -0.92 0.00 0.00 175.35 176.76 3hyy h GLU 192 N 1.16 0.00 -0.55 1.68 4.11 -1.95 0.63 114.58 119.67 3hyy h GLU 192 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 3hyy h GLU 192 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3hyy h GLU 192 CO 0.56 0.03 0.00 -0.40 0.07 0.00 0.00 179.01 179.27 3hyy n ASP 193 N -4.03 2.96 -0.57 3.06 5.75 -1.26 -4.22 116.55 118.23 3hyy n ASP 193 Ca -0.03 -2.18 0.06 0.00 -0.01 0.00 0.00 54.79 52.63 3hyy n ASP 193 Cb 0.12 -0.41 0.20 0.00 -1.03 0.00 0.00 41.12 40.00 3hyy n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hyy n GLN 194 N 0.73 1.60 0.00 0.11 1.13 0.21 -4.77 117.38 116.39 3hyy n GLN 194 Ca 0.16 -3.14 0.15 0.00 -1.94 0.00 0.00 57.00 52.23 3hyy n GLN 194 Cb 0.53 -1.63 0.75 0.00 0.11 0.00 0.00 30.24 30.00 3hyy n GLN 194 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3hyy n THR 195 N -1.17 0.00 0.12 5.09 -2.24 -1.26 -2.88 114.28 111.94 3hyy n THR 195 Ca 0.20 -0.03 0.17 0.00 -2.27 0.00 0.00 64.05 62.13 3hyy n THR 195 Cb 0.73 -0.34 0.73 0.00 -2.10 0.00 0.00 70.33 69.35 3hyy n THR 195 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3hyy h GLU 196 N 0.26 0.00 0.00 -0.78 4.11 -1.94 -0.68 114.58 115.55 3hyy h GLU 196 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3hyy h GLU 196 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3hyy h GLU 196 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.74 3hyy n TYR 197 N -4.17 0.00 1.02 2.06 4.01 -1.14 -1.51 117.16 117.44 3hyy n TYR 197 Ca 0.05 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.90 3hyy n TYR 197 Cb 0.43 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.49 3hyy n TYR 197 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3hyy n LEU 198 N -0.80 1.11 -4.72 7.72 4.77 -0.26 -4.84 117.00 119.98 3hyy n LEU 198 Ca 0.10 -0.42 -0.40 0.00 -0.03 0.00 0.00 56.01 55.26 3hyy n LEU 198 Cb 0.05 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 3hyy n LEU 198 CO 0.08 0.24 0.43 -0.70 -1.33 0.00 0.00 177.39 176.11 3hyy s GLU 199 N -2.84 4.45 0.15 3.23 2.56 -0.57 -4.85 118.70 120.83 3hyy s GLU 199 Ca 0.12 0.95 -0.22 0.00 0.00 0.00 0.00 54.97 55.82 3hyy s GLU 199 Cb 0.17 -3.44 0.02 0.00 2.00 0.00 0.00 34.13 32.89 3hyy s GLU 199 CO 0.74 0.09 1.63 1.49 -0.56 0.00 0.00 175.26 178.65 3hyy h GLU 200 N 6.60 -0.24 0.00 4.30 4.81 -1.93 -1.15 114.58 126.98 3hyy h GLU 200 Ca -0.41 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 58.77 3hyy h GLU 200 Cb 1.20 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 3hyy h GLU 200 CO 0.75 -0.16 -0.28 0.07 -0.73 0.00 0.00 179.01 178.66 3hyy h ARG 201 N -0.25 0.00 -0.08 1.92 0.11 -1.94 -1.45 114.38 112.68 3hyy h ARG 201 Ca 0.13 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 60.03 3hyy h ARG 201 Cb 0.45 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.54 3hyy h ARG 201 CO -0.37 0.28 -0.64 -0.09 0.10 0.00 0.00 179.97 179.26 3hyy h ARG 202 N 0.00 0.58 -0.70 0.08 9.65 -1.63 -2.14 114.38 120.22 3hyy h ARG 202 Ca -0.00 -0.51 -0.07 0.00 -1.10 0.00 0.00 59.98 58.29 3hyy h ARG 202 Cb 0.74 0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.41 3hyy h ARG 202 CO 0.04 1.14 0.16 0.82 2.80 0.00 0.00 179.97 184.93 3hyy h ILE 203 N 0.20 1.26 -0.40 1.20 2.04 -0.89 -1.92 117.51 119.00 3hyy h ILE 203 Ca -0.06 -0.99 -0.05 0.00 1.00 0.00 0.00 64.86 64.77 3hyy h ILE 203 Cb 1.29 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3hyy h ILE 203 CO 0.13 0.38 0.06 0.11 0.00 0.00 0.00 178.15 178.83 3hyy h LYS 204 N 1.07 0.67 -0.36 2.37 1.57 -1.24 0.18 116.57 120.81 3hyy h LYS 204 Ca 0.22 -0.18 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 3hyy h LYS 204 Cb 0.39 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.55 3hyy h LYS 204 CO 0.00 0.72 -0.12 1.49 -0.57 0.00 0.00 179.45 180.97 3hyy h GLU 205 N 0.51 -0.03 -0.43 3.15 4.81 -1.22 -1.14 114.58 120.22 3hyy h GLU 205 Ca 0.12 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 3hyy h GLU 205 Cb 0.38 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3hyy h GLU 205 CO 0.01 -0.02 -0.13 0.82 -0.73 0.00 0.00 179.01 178.95 3hyy h ILE 206 N -0.04 1.27 -0.47 2.32 2.04 -0.81 -1.07 117.51 120.75 3hyy h ILE 206 Ca 0.18 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 3hyy h ILE 206 Cb 0.31 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3hyy h ILE 206 CO -0.39 0.43 0.27 0.58 0.00 0.00 0.00 178.15 179.03 3hyy h VAL 207 N 0.68 1.16 -0.25 1.67 2.07 -0.89 -0.95 116.25 119.73 3hyy h VAL 207 Ca 0.11 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3hyy h VAL 207 Cb 0.68 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3hyy h VAL 207 CO 0.05 0.16 0.14 0.50 0.02 0.00 0.00 177.57 178.44 3hyy h LYS 208 N 0.63 0.36 -0.52 1.57 3.64 -1.11 0.97 116.57 122.10 3hyy h LYS 208 Ca 0.17 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3hyy h LYS 208 Cb 0.02 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 3hyy h LYS 208 CO -0.03 0.33 0.34 -0.22 -2.27 0.00 0.00 179.45 177.59 3hyy h LYS 209 N 0.29 0.69 0.00 1.90 3.64 -1.05 -3.37 116.57 118.67 3hyy h LYS 209 Ca 0.09 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3hyy h LYS 209 Cb 0.08 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3hyy h LYS 209 CO -0.01 0.46 -0.48 0.72 -2.27 0.00 0.00 179.45 177.87 3hyy n HIS 210 N -4.72 0.00 -1.93 1.91 8.25 -0.37 -4.78 115.22 113.59 3hyy n HIS 210 Ca 0.03 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.52 3hyy n HIS 210 Cb 0.03 -0.02 0.05 0.00 1.12 0.00 0.00 29.99 31.16 3hyy n HIS 210 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3hyy n SER 211 N -1.25 0.84 0.13 0.41 7.64 0.32 -4.89 113.62 116.81 3hyy n SER 211 Ca 0.00 -2.38 0.02 0.00 1.01 0.00 0.00 58.87 57.52 3hyy n SER 211 Cb 0.05 -0.30 0.36 0.00 -1.01 0.00 0.00 64.21 63.32 3hyy n SER 211 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 3hyy h GLN 212 N 0.35 0.19 -0.39 1.43 4.15 -1.69 -2.97 115.11 116.19 3hyy h GLN 212 Ca -0.06 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 3hyy h GLN 212 Cb 1.42 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 29.08 3hyy h GLN 212 CO 0.03 0.41 0.01 1.19 -1.93 0.00 0.00 178.83 178.54 3hyy n PHE 213 N -4.20 1.39 -1.77 3.99 3.72 -1.26 -4.99 117.46 114.32 3hyy n PHE 213 Ca -0.01 -0.87 -0.42 0.00 -0.05 0.00 0.00 57.45 56.10 3hyy n PHE 213 Cb 0.33 -0.40 -0.02 0.00 -0.94 0.00 0.00 39.48 38.45 3hyy n PHE 213 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3hyy s ILE 214 N -2.84 2.08 -0.17 4.37 -1.09 -1.12 -4.88 121.20 117.54 3hyy s ILE 214 Ca 0.47 0.06 0.01 0.00 -2.23 0.00 0.00 60.65 58.96 3hyy s ILE 214 Cb 0.37 -3.04 0.21 0.00 -1.58 0.00 0.00 42.46 38.42 3hyy s ILE 214 CO 0.11 0.01 1.48 0.61 -1.23 0.00 0.00 174.94 175.92 3hyy n GLY 215 N 2.49 3.04 2.98 6.18 0.00 -1.26 -4.80 105.19 113.82 3hyy n GLY 215 Ca 0.10 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 3hyy n GLY 215 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hyy s TYR 216 N -1.16 0.08 0.18 1.61 2.02 -1.26 -5.11 117.35 113.71 3hyy s TYR 216 Ca 0.20 -0.16 -0.31 0.00 -0.37 0.00 0.00 57.07 56.43 3hyy s TYR 216 Cb 0.17 -0.07 -0.10 0.00 -0.40 0.00 0.00 41.96 41.55 3hyy s TYR 216 CO 0.03 -0.14 1.55 -1.25 -1.57 0.00 0.00 175.55 174.17 3hyy s PRO 217 N -0.81 4.22 -0.27 -1.71 0.04 -1.26 -4.84 135.00 130.36 3hyy s PRO 217 Ca -0.09 2.36 -0.04 0.00 0.04 0.00 0.00 61.00 63.27 3hyy s PRO 217 Cb -0.05 -3.14 0.02 0.00 0.04 0.00 0.00 34.50 31.36 3hyy s PRO 217 CO -0.00 -0.58 0.02 0.42 0.04 0.00 0.00 177.00 176.89 3hyy s ILE 218 N 0.94 3.46 -0.30 0.56 1.01 -1.25 -1.50 121.20 124.12 3hyy s ILE 218 Ca 0.68 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 60.39 3hyy s ILE 218 Cb -0.44 -2.78 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 3hyy s ILE 218 CO 0.33 0.13 0.15 -0.89 0.00 0.00 0.00 174.94 174.66 3hyy s THR 219 N 1.42 4.69 -0.40 2.92 2.01 -0.56 -5.00 115.64 120.71 3hyy s THR 219 Ca 0.01 -0.28 -0.26 0.00 0.31 0.00 0.00 61.69 61.47 3hyy s THR 219 Cb -0.17 -3.33 0.02 0.00 0.01 0.00 0.00 72.50 69.03 3hyy s THR 219 CO -0.01 0.14 0.93 -0.22 -0.69 0.00 0.00 174.62 174.77 3hyy s LEU 220 N 1.64 3.99 0.46 4.42 2.96 -1.26 -0.86 118.68 130.03 3hyy s LEU 220 Ca 0.05 0.43 -0.23 0.00 -0.22 0.00 0.00 54.13 54.16 3hyy s LEU 220 Cb -0.17 -3.24 -0.07 0.00 0.50 0.00 0.00 46.19 43.21 3hyy s LEU 220 CO 0.07 -0.92 1.15 -0.36 -1.32 0.00 0.00 176.35 174.96 3hyy s PHE 221 N 3.58 2.91 0.06 5.38 0.40 -0.06 -4.97 117.98 125.28 3hyy s PHE 221 Ca 0.38 1.55 -0.10 0.00 -0.60 0.00 0.00 56.93 58.16 3hyy s PHE 221 Cb -0.11 -3.34 -0.06 0.00 0.51 0.00 0.00 43.02 40.02 3hyy s PHE 221 CO 0.21 -1.40 0.39 0.08 0.70 0.00 0.00 175.22 175.20 3hyy s VAL 222 N -1.58 5.11 -2.00 -0.44 1.01 -1.26 -4.52 120.40 116.72 3hyy s VAL 222 Ca 0.63 0.47 0.26 0.00 0.00 0.00 0.00 61.98 63.34 3hyy s VAL 222 Cb -0.27 -3.64 0.73 0.00 0.00 0.00 0.00 36.38 33.19 3hyy s VAL 222 CO 0.33 0.34 1.89 -0.62 0.00 0.00 0.00 175.10 177.04