#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uye s VAL 17 N 0.00 4.96 -0.12 3.84 1.01 -1.26 -4.61 120.40 124.22 1uye s VAL 17 Ca 0.00 1.39 -0.06 0.00 0.00 0.00 0.00 61.98 63.31 1uye s VAL 17 Cb 0.00 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1uye s VAL 17 CO 0.00 0.08 0.11 -1.61 0.00 0.00 0.00 175.10 173.68 1uye s GLU 18 N 1.97 3.43 -0.10 2.72 2.02 -0.55 -4.97 118.70 123.21 1uye s GLU 18 Ca 0.33 -0.19 0.02 0.00 0.02 0.00 0.00 54.97 55.15 1uye s GLU 18 Cb -0.16 -3.14 -0.01 0.00 0.10 0.00 0.00 34.13 30.92 1uye s GLU 18 CO 0.11 0.72 -0.17 0.99 0.02 0.00 0.00 175.26 176.93 1uye s THR 19 N -0.87 2.68 0.17 3.63 2.01 -1.26 -1.37 115.64 120.64 1uye s THR 19 Ca 0.14 -0.81 0.08 0.00 0.31 0.00 0.00 61.69 61.40 1uye s THR 19 Cb -0.12 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 1uye s THR 19 CO 0.03 0.55 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.99 1uye s PHE 20 N 0.12 1.68 -0.11 4.92 0.40 0.35 -5.00 117.98 120.36 1uye s PHE 20 Ca -0.09 -0.52 -0.11 0.00 -0.60 0.00 0.00 56.93 55.61 1uye s PHE 20 Cb -0.15 -0.83 -0.05 0.00 0.51 0.00 0.00 43.02 42.50 1uye s PHE 20 CO 0.05 0.29 0.24 0.00 0.70 0.00 0.00 175.22 176.51 1uye s ALA 21 N -2.36 3.75 0.47 5.36 0.00 -1.26 -1.55 121.76 126.17 1uye s ALA 21 Ca 0.16 -0.50 -0.24 0.00 0.00 0.00 0.00 51.96 51.38 1uye s ALA 21 Cb -0.04 -2.19 -0.07 0.00 0.00 0.00 0.00 23.12 20.82 1uye s ALA 21 CO 0.06 0.42 1.36 -0.06 0.00 0.00 0.00 175.76 177.53 1uye s PHE 22 N -0.56 2.52 0.54 0.00 0.08 -0.81 -4.94 117.98 114.82 1uye s PHE 22 Ca 0.17 1.35 -0.20 0.00 0.12 0.00 0.00 56.93 58.37 1uye s PHE 22 Cb -0.13 -3.78 -0.08 0.00 -0.57 0.00 0.00 43.02 38.45 1uye s PHE 22 CO 0.06 -2.62 0.79 1.04 -0.10 0.00 0.00 175.22 174.38 1uye n GLN 23 N -0.40 0.83 -0.15 0.44 6.02 -1.26 -4.75 117.38 118.11 1uye n GLN 23 Ca 0.07 0.31 0.06 0.00 -0.01 0.00 0.00 57.00 57.43 1uye n GLN 23 Cb 0.44 -1.93 0.36 0.00 1.02 0.00 0.00 30.24 30.13 1uye n GLN 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1uye h ALA 24 N 0.64 1.70 -0.40 -1.58 0.00 -1.98 -1.91 119.26 115.73 1uye h ALA 24 Ca -0.46 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 1uye h ALA 24 Cb 1.37 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1uye h ALA 24 CO 0.51 0.21 -0.27 0.93 0.00 0.00 0.00 179.25 180.63 1uye h GLU 25 N 0.73 0.85 -0.00 0.00 3.07 -1.97 0.15 114.58 117.40 1uye h GLU 25 Ca 0.28 -0.38 -0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1uye h GLU 25 Cb 0.17 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1uye h GLU 25 CO -0.08 1.02 -0.00 0.82 -1.40 0.00 0.00 179.01 179.36 1uye h ILE 26 N 0.73 1.25 -0.84 3.13 1.08 -1.75 0.51 117.51 121.63 1uye h ILE 26 Ca 0.09 -0.75 0.16 0.00 -0.39 0.00 0.00 64.86 63.97 1uye h ILE 26 Cb 0.82 1.75 -0.10 0.00 -3.07 0.00 0.00 36.82 36.22 1uye h ILE 26 CO 0.07 0.20 0.40 0.00 -0.69 0.00 0.00 178.15 178.12 1uye h ALA 27 N 0.69 1.26 -0.43 1.87 0.00 -1.30 0.28 119.26 121.64 1uye h ALA 27 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1uye h ALA 27 Cb 0.32 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1uye h ALA 27 CO 0.00 -0.17 -0.20 0.37 0.00 0.00 0.00 179.25 179.25 1uye h GLN 28 N 0.54 0.89 -0.60 0.00 4.15 -0.71 -1.22 115.11 118.15 1uye h GLN 28 Ca 0.47 -0.39 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 1uye h GLN 28 Cb 0.73 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 1uye h GLN 28 CO -0.41 1.04 0.36 1.25 -1.93 0.00 0.00 178.83 179.14 1uye h LEU 29 N 0.71 0.72 -0.77 -2.39 5.85 0.14 -2.04 115.31 117.55 1uye h LEU 29 Ca 0.10 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1uye h LEU 29 Cb 0.77 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1uye h LEU 29 CO 0.06 0.57 0.31 0.24 -0.34 0.00 0.00 178.44 179.28 1uye h MET 30 N 0.81 1.15 -0.49 1.25 2.86 -0.14 -1.55 114.93 118.82 1uye h MET 30 Ca 0.22 -0.21 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 1uye h MET 30 Cb -0.02 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 1uye h MET 30 CO -0.04 0.93 -0.04 0.77 1.06 0.00 0.00 176.91 179.59 1uye h SER 31 N 1.11 0.89 -0.87 1.22 0.02 -1.17 -1.35 113.55 113.40 1uye h SER 31 Ca 0.26 -0.33 0.07 0.00 -0.84 0.00 0.00 61.79 60.95 1uye h SER 31 Cb 0.21 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.45 1uye h SER 31 CO -0.02 1.00 0.54 0.25 -1.14 0.00 0.00 176.83 177.46 1uye h LEU 32 N 0.75 0.84 -0.40 5.07 5.85 -1.07 0.30 115.31 126.64 1uye h LEU 32 Ca 0.13 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.72 1uye h LEU 32 Cb 0.58 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1uye h LEU 32 CO 0.03 0.53 -0.34 0.40 -0.34 0.00 0.00 178.44 178.72 1uye h ILE 33 N 0.97 1.27 -0.51 4.05 2.04 -0.95 -0.22 117.51 124.16 1uye h ILE 33 Ca 0.39 -1.51 -0.07 0.00 1.00 0.00 0.00 64.86 64.66 1uye h ILE 33 Cb 0.20 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1uye h ILE 33 CO -0.18 0.51 0.03 0.40 0.00 0.00 0.00 178.15 178.91 1uye h ILE 34 N 0.76 1.26 0.01 -0.67 2.04 -0.95 -3.37 117.51 116.58 1uye h ILE 34 Ca 0.07 -1.03 -0.30 0.00 1.00 0.00 0.00 64.86 64.60 1uye h ILE 34 Cb 0.93 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 1uye h ILE 34 CO 0.09 0.36 -1.77 0.59 0.00 0.00 0.00 178.15 177.42 1uye n ASN 35 N -4.35 0.94 -4.76 1.72 3.02 0.10 -4.93 115.26 107.02 1uye n ASN 35 Ca 0.01 0.38 -0.41 0.00 -0.03 0.00 0.00 54.58 54.53 1uye n ASN 35 Cb 0.29 -0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.36 1uye n ASN 35 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1uye s THR 36 N -2.59 2.62 -0.21 3.41 2.01 -0.11 -4.97 115.64 115.81 1uye s THR 36 Ca -0.07 0.56 -0.29 0.00 0.31 0.00 0.00 61.69 62.20 1uye s THR 36 Cb 0.08 -3.36 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 1uye s THR 36 CO 0.82 0.11 1.28 0.12 -0.69 0.00 0.00 174.62 176.25 1uye s PHE 37 N -0.44 2.80 -0.29 4.92 5.36 -1.26 -4.97 117.98 124.10 1uye s PHE 37 Ca 0.56 0.97 0.00 0.00 -0.96 0.00 0.00 56.93 57.50 1uye s PHE 37 Cb -0.42 -3.63 0.18 0.00 -0.34 0.00 0.00 43.02 38.82 1uye s PHE 37 CO 0.48 -1.70 0.57 -0.47 -1.46 0.00 0.00 175.22 172.63 1uye s TYR 38 N 3.78 -1.55 0.13 10.12 5.04 -1.26 -5.05 117.35 128.56 1uye s TYR 38 Ca 0.55 1.47 0.14 0.00 -2.44 0.00 0.00 57.07 56.79 1uye s TYR 38 Cb -0.20 0.44 0.32 0.00 0.35 0.00 0.00 41.96 42.87 1uye s TYR 38 CO 0.17 -0.90 1.57 0.77 -1.34 0.00 0.00 175.55 175.81 1uye h SER 39 N 8.03 0.00 -0.01 4.32 0.02 -2.03 -3.36 113.55 120.51 1uye h SER 39 Ca -0.18 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.45 1uye h SER 39 Cb 1.16 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.66 1uye h SER 39 CO 0.24 0.58 0.68 -3.20 -1.14 0.00 0.00 176.83 174.00 1uye n ASN 40 N -3.52 6.14 0.31 3.07 4.05 -1.26 -4.63 115.26 119.42 1uye n ASN 40 Ca -0.00 -2.51 0.17 0.00 0.45 0.00 0.00 54.58 52.69 1uye n ASN 40 Cb 0.66 -1.45 1.00 0.00 1.23 0.00 0.00 39.78 41.21 1uye n ASN 40 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 177.26 174.32 1uye h LYS 41 N 3.50 0.00 0.00 1.20 1.57 -1.96 -3.31 116.57 117.58 1uye h LYS 41 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1uye h LYS 41 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1uye h LYS 41 CO 0.63 0.00 0.00 1.05 -0.57 0.00 0.00 179.45 180.56 1uye h GLU 42 N 0.00 0.00 0.00 3.15 4.11 -1.97 -2.41 114.58 117.47 1uye h GLU 42 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1uye h GLU 42 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1uye h GLU 42 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 179.01 179.52 1uye n ILE 43 N -2.98 1.06 -0.15 -1.06 -6.64 -1.25 -2.48 119.36 105.87 1uye n ILE 43 Ca -0.02 0.27 0.10 0.00 -1.77 0.00 0.00 62.75 61.32 1uye n ILE 43 Cb 0.10 -1.07 0.43 0.00 -1.44 0.00 0.00 39.64 37.66 1uye n ILE 43 CO 0.00 0.00 0.00 2.19 -1.77 0.00 0.00 176.55 176.97 1uye h PHE 44 N 0.00 0.61 -0.02 4.28 -0.00 -1.71 -2.63 116.94 117.47 1uye h PHE 44 Ca 0.00 0.02 -0.26 0.00 -0.00 0.00 0.00 57.97 57.73 1uye h PHE 44 Cb 0.17 -0.20 0.02 0.00 -0.00 0.00 0.00 35.95 35.94 1uye h PHE 44 CO 0.00 0.29 -0.99 1.25 -0.00 0.00 0.00 178.31 178.87 1uye h LEU 45 N 0.58 0.91 -1.35 2.10 5.85 -1.76 -2.12 115.31 119.51 1uye h LEU 45 Ca 0.32 -0.72 -0.07 0.00 0.84 0.00 0.00 57.88 58.25 1uye h LEU 45 Cb 0.47 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1uye h LEU 45 CO -0.11 1.51 -0.32 0.08 -0.34 0.00 0.00 178.44 179.26 1uye h ARG 46 N 0.40 0.00 -0.62 1.25 0.11 -1.72 -1.12 114.38 112.68 1uye h ARG 46 Ca -0.12 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.87 1uye h ARG 46 Cb 1.64 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.70 1uye h ARG 46 CO 0.20 0.32 0.01 0.93 0.10 0.00 0.00 179.97 181.53 1uye h GLU 47 N 0.00 1.09 -0.11 0.08 4.39 -1.18 -1.75 114.58 117.10 1uye h GLU 47 Ca -0.00 -0.34 -0.16 0.00 0.34 0.00 0.00 59.36 59.19 1uye h GLU 47 Cb 0.59 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1uye h GLU 47 CO 0.04 1.05 -0.57 -0.07 -1.16 0.00 0.00 179.01 178.31 1uye h LEU 48 N 0.99 0.70 -1.02 1.33 3.38 -0.88 -1.95 115.31 117.86 1uye h LEU 48 Ca 0.18 -0.64 0.02 0.00 0.09 0.00 0.00 57.88 57.53 1uye h LEU 48 Cb 0.55 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1uye h LEU 48 CO 0.03 1.22 0.66 0.40 0.09 0.00 0.00 178.44 180.84 1uye h ILE 49 N 0.22 1.21 -0.50 1.22 2.04 -1.22 -1.22 117.51 119.26 1uye h ILE 49 Ca -0.04 -0.45 -0.08 0.00 1.00 0.00 0.00 64.86 65.29 1uye h ILE 49 Cb 1.21 -0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 1uye h ILE 49 CO 0.12 0.24 -0.00 -1.28 0.00 0.00 0.00 178.15 177.23 1uye h SER 50 N 1.31 0.87 -0.89 1.72 0.87 -1.34 0.72 113.55 116.82 1uye h SER 50 Ca 0.38 -0.31 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1uye h SER 50 Cb -0.07 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.61 1uye h SER 50 CO -0.10 0.96 0.54 0.78 -0.53 0.00 0.00 176.83 178.48 1uye h ASN 51 N 0.75 1.07 -0.34 6.23 2.35 -0.97 -0.66 115.58 124.01 1uye h ASN 51 Ca 0.14 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 1uye h ASN 51 Cb 0.52 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1uye h ASN 51 CO 0.03 0.82 0.04 0.28 -1.65 0.00 0.00 177.43 176.94 1uye h SER 52 N 1.23 0.55 -0.44 5.81 0.02 -0.89 -2.14 113.55 117.69 1uye h SER 52 Ca 0.32 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1uye h SER 52 Cb -0.06 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1uye h SER 52 CO -0.06 0.69 0.27 -1.28 -1.14 0.00 0.00 176.83 175.31 1uye h SER 53 N 0.39 0.52 -0.39 3.07 0.87 -0.54 -0.33 113.55 117.13 1uye h SER 53 Ca 0.10 -0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.67 1uye h SER 53 Cb 0.39 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 1uye h SER 53 CO 0.01 0.41 0.13 0.44 -0.53 0.00 0.00 176.83 177.29 1uye h ASP 54 N 0.58 0.13 -0.32 6.23 3.32 -1.08 -0.09 116.42 125.19 1uye h ASP 54 Ca 0.16 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1uye h ASP 54 Cb -0.02 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1uye h ASP 54 CO -0.03 0.11 0.21 0.00 -1.72 0.00 0.00 179.24 177.80 1uye h ALA 55 N 1.26 1.76 -0.02 3.45 0.00 -1.03 -0.93 119.26 123.75 1uye h ALA 55 Ca 0.18 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 1uye h ALA 55 Cb 0.17 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1uye h ALA 55 CO -0.19 0.22 -0.73 -0.07 0.00 0.00 0.00 179.25 178.48 1uye h LEU 56 N 0.44 0.66 -0.89 0.00 3.38 -0.62 0.14 115.31 118.42 1uye h LEU 56 Ca 0.12 -0.74 0.20 0.00 0.09 0.00 0.00 57.88 57.55 1uye h LEU 56 Cb -0.04 -0.20 -0.11 0.00 0.09 0.00 0.00 40.66 40.39 1uye h LEU 56 CO -0.02 1.31 0.43 0.44 0.09 0.00 0.00 178.44 180.69 1uye h ASP 57 N 0.08 0.43 -0.05 -0.43 3.32 -0.72 -1.64 116.42 117.41 1uye h ASP 57 Ca -0.09 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1uye h ASP 57 Cb 1.41 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 41.04 1uye h ASP 57 CO 0.14 0.09 -0.01 0.50 -1.72 0.00 0.00 179.24 178.24 1uye h LYS 58 N 0.50 0.11 -0.45 3.56 3.64 -1.13 -0.03 116.57 122.76 1uye h LYS 58 Ca 0.54 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.77 1uye h LYS 58 Cb 0.94 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 1uye h LYS 58 CO -0.47 0.44 -0.16 0.97 -2.27 0.00 0.00 179.45 177.97 1uye h ILE 59 N -0.24 1.27 0.51 2.00 6.09 -1.37 -0.23 117.51 125.53 1uye h ILE 59 Ca 0.01 -1.27 -0.02 0.00 -1.37 0.00 0.00 64.86 62.22 1uye h ILE 59 Cb 0.40 1.09 0.00 0.00 0.47 0.00 0.00 36.82 38.78 1uye h ILE 59 CO 0.01 0.43 -0.26 -0.09 -3.07 0.00 0.00 178.15 175.17 1uye h ARG 60 N 0.75 -0.68 -0.34 2.19 2.43 -1.22 -1.29 114.38 116.23 1uye h ARG 60 Ca 0.12 0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.40 1uye h ARG 60 Cb 0.67 0.15 -0.06 0.00 -0.42 0.00 0.00 29.97 30.32 1uye h ARG 60 CO 0.05 -0.45 -0.06 -0.92 -1.51 0.00 0.00 179.97 177.08 1uye h TYR 61 N -0.70 -0.13 -0.19 2.20 3.20 -0.86 -2.14 116.97 118.34 1uye h TYR 61 Ca -0.07 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.87 1uye h TYR 61 Cb 0.55 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 1uye h TYR 61 CO -0.05 -0.12 0.13 0.93 -1.64 0.00 0.00 178.16 177.40 1uye h GLU 62 N 0.03 0.10 -0.00 1.82 5.08 -0.79 -2.43 114.58 118.40 1uye h GLU 62 Ca 0.17 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1uye h GLU 62 Cb 0.25 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1uye h GLU 62 CO -0.33 0.07 -0.07 -1.13 -1.00 0.00 0.00 179.01 176.55 1uye n SER 63 N -4.50 0.16 0.12 1.42 3.41 -0.51 -2.36 113.62 111.37 1uye n SER 63 Ca 0.01 -0.09 -0.02 0.00 -0.26 0.00 0.00 58.87 58.51 1uye n SER 63 Cb 0.19 -0.24 0.11 0.00 -0.26 0.00 0.00 64.21 64.01 1uye n SER 63 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1uye h LEU 64 N 0.14 0.00 -0.44 1.04 3.38 -1.37 -2.45 115.31 115.62 1uye h LEU 64 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1uye h LEU 64 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1uye h LEU 64 CO 0.00 0.69 -0.76 0.35 0.09 0.00 0.00 178.44 178.81 1uye n THR 65 N -3.69 0.00 -3.04 0.22 -2.24 -1.15 -4.73 114.28 99.65 1uye n THR 65 Ca -0.01 -0.12 -0.13 0.00 -2.27 0.00 0.00 64.05 61.52 1uye n THR 65 Cb 0.68 1.11 -0.04 0.00 -2.10 0.00 0.00 70.33 69.99 1uye n THR 65 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uye s ASP 66 N -2.75 -0.27 0.61 3.42 -1.08 -0.99 -5.02 116.67 110.59 1uye s ASP 66 Ca 0.12 -2.16 0.28 0.00 -0.52 0.00 0.00 52.55 50.27 1uye s ASP 66 Cb 0.17 0.99 1.43 0.00 -1.46 0.00 0.00 42.92 44.04 1uye s ASP 66 CO 0.73 -0.11 1.84 -0.65 0.52 0.00 0.00 175.17 177.50 1uye h PRO 67 N 5.44 0.00 0.00 4.34 0.11 -1.72 -1.34 132.00 138.83 1uye h PRO 67 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1uye h PRO 67 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1uye h PRO 67 CO 0.15 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.60 1uye h SER 68 N 0.00 0.00 0.03 -2.05 4.64 -1.95 -2.50 113.55 111.71 1uye h SER 68 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1uye h SER 68 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1uye h SER 68 CO -0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1uye n LYS 69 N -2.53 0.13 -0.29 4.77 5.02 -0.51 -1.36 118.16 123.38 1uye n LYS 69 Ca 0.01 0.61 0.12 0.00 -2.02 0.00 0.00 58.31 57.03 1uye n LYS 69 Cb 0.25 -1.91 0.27 0.00 -0.02 0.00 0.00 35.03 33.62 1uye n LYS 69 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1uye n LEU 70 N -2.17 3.73 0.29 -0.35 4.77 -0.94 -4.38 117.00 117.94 1uye n LEU 70 Ca -0.01 -1.81 0.15 0.00 -0.03 0.00 0.00 56.01 54.31 1uye n LEU 70 Cb 0.04 -0.39 0.91 0.00 -2.33 0.00 0.00 43.42 41.65 1uye n LEU 70 CO 0.09 0.89 1.13 0.44 -1.33 0.00 0.00 177.39 178.61 1uye h ASP 71 N 4.26 0.00 0.04 -1.43 3.32 -1.41 0.31 116.42 121.51 1uye h ASP 71 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1uye h ASP 71 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1uye h ASP 71 CO 0.00 0.00 -0.02 -1.54 -1.72 0.00 0.00 179.24 175.96 1uye n SER 72 N -3.84 0.71 0.00 6.45 3.41 -1.26 -4.89 113.62 114.19 1uye n SER 72 Ca -0.03 -1.16 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 1uye n SER 72 Cb 0.11 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1uye n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uye n GLY 73 N 1.11 3.38 0.08 5.00 0.00 0.09 -3.95 105.19 110.91 1uye n GLY 73 Ca 0.21 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 1uye n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uye h LYS 74 N 0.00 0.05 -6.44 1.61 1.79 -1.90 -3.44 116.57 108.24 1uye h LYS 74 Ca 0.00 -0.08 -0.54 0.00 -2.18 0.00 0.00 60.65 57.86 1uye h LYS 74 Cb 0.00 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1uye h LYS 74 CO 0.00 0.96 0.52 -1.21 -1.08 0.00 0.00 179.45 178.64 1uye s GLU 75 N -2.90 4.46 -0.34 3.15 8.01 -1.26 -5.00 118.70 124.81 1uye s GLU 75 Ca -0.00 1.66 -0.03 0.00 0.01 0.00 0.00 54.97 56.61 1uye s GLU 75 Cb 0.10 -3.40 0.07 0.00 -4.31 0.00 0.00 34.13 26.59 1uye s GLU 75 CO 0.82 -0.22 0.09 -0.51 0.01 0.00 0.00 175.26 175.45 1uye s LEU 76 N 1.17 4.44 0.30 1.80 1.43 -1.26 -4.72 118.68 121.84 1uye s LEU 76 Ca 0.57 -1.49 -0.19 0.00 -1.03 0.00 0.00 54.13 51.98 1uye s LEU 76 Cb -0.27 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.19 1uye s LEU 76 CO 0.28 -0.37 0.72 -1.38 0.23 0.00 0.00 176.35 175.83 1uye s HIS 77 N 1.25 -0.08 -0.06 0.29 -3.43 -1.26 -4.42 115.29 107.58 1uye s HIS 77 Ca -0.00 -0.42 0.03 0.00 -0.80 0.00 0.00 55.06 53.87 1uye s HIS 77 Cb -0.21 0.70 0.01 0.00 -1.43 0.00 0.00 32.58 31.65 1uye s HIS 77 CO -0.01 -1.29 -0.14 0.42 -2.00 0.00 0.00 174.74 171.72 1uye s ILE 78 N -3.58 1.23 -0.08 -5.38 1.01 -0.52 -2.60 121.20 111.29 1uye s ILE 78 Ca 0.13 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.25 1uye s ILE 78 Cb -0.05 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.29 1uye s ILE 78 CO 0.08 0.37 -0.16 0.20 0.00 0.00 0.00 174.94 175.43 1uye s ASN 79 N 0.50 3.82 -0.23 3.58 0.02 -0.39 -0.64 114.94 121.60 1uye s ASN 79 Ca -0.12 -0.31 -0.05 0.00 -1.02 0.00 0.00 52.86 51.36 1uye s ASN 79 Cb -0.15 -1.12 -0.02 0.00 0.02 0.00 0.00 41.25 39.99 1uye s ASN 79 CO 0.04 0.26 0.01 -0.76 0.02 0.00 0.00 177.10 176.66 1uye s LEU 80 N -0.23 3.15 -0.27 0.60 1.43 -0.05 -0.87 118.68 122.43 1uye s LEU 80 Ca 0.00 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1uye s LEU 80 Cb -0.13 -1.82 0.08 0.00 0.03 0.00 0.00 46.19 44.35 1uye s LEU 80 CO 0.03 -0.01 0.03 -0.63 0.23 0.00 0.00 176.35 175.99 1uye s ILE 81 N 1.46 1.32 0.11 -0.59 1.01 -0.09 -1.55 121.20 122.87 1uye s ILE 81 Ca 0.05 -1.40 -0.19 0.00 0.00 0.00 0.00 60.65 59.12 1uye s ILE 81 Cb -0.15 -1.82 -0.07 0.00 0.01 0.00 0.00 42.46 40.43 1uye s ILE 81 CO 0.00 -0.40 0.59 -2.16 0.00 0.00 0.00 174.94 172.98 1uye s PRO 82 N 1.44 4.18 -0.22 2.79 0.04 -1.26 -0.90 135.00 141.06 1uye s PRO 82 Ca 0.03 0.72 -0.02 0.00 0.04 0.00 0.00 61.00 61.77 1uye s PRO 82 Cb -0.18 -3.13 0.07 0.00 0.04 0.00 0.00 34.50 31.30 1uye s PRO 82 CO -0.13 0.57 0.05 1.21 0.04 0.00 0.00 177.00 178.74 1uye s ASN 83 N -1.31 3.20 0.27 6.66 3.84 -0.05 -4.76 114.94 122.78 1uye s ASN 83 Ca 0.33 -1.02 0.06 0.00 0.21 0.00 0.00 52.86 52.44 1uye s ASN 83 Cb -0.18 -0.66 0.35 0.00 -0.55 0.00 0.00 41.25 40.21 1uye s ASN 83 CO 0.20 -0.33 1.63 0.11 -2.79 0.00 0.00 177.10 175.91 1uye h LYS 84 N 8.21 0.22 -0.77 0.43 1.57 -1.92 0.67 116.57 124.98 1uye h LYS 84 Ca -0.16 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1uye h LYS 84 Cb 1.09 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.38 1uye h LYS 84 CO 0.37 0.69 0.43 0.37 -0.57 0.00 0.00 179.45 180.74 1uye h GLN 85 N 0.17 1.07 0.00 3.15 4.15 -1.96 -2.44 115.11 119.25 1uye h GLN 85 Ca 0.00 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1uye h GLN 85 Cb 0.97 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.45 1uye h GLN 85 CO 0.08 0.79 -0.55 -0.25 -1.93 0.00 0.00 178.83 176.97 1uye n ASP 86 N -4.44 0.54 -3.76 -0.69 8.00 -1.14 -4.98 116.55 110.07 1uye n ASP 86 Ca 0.07 -0.25 -0.23 0.00 0.71 0.00 0.00 54.79 55.09 1uye n ASP 86 Cb 0.09 0.29 0.02 0.00 -0.02 0.00 0.00 41.12 41.50 1uye n ASP 86 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1uye n ARG 87 N -1.56 -4.66 -4.51 -1.24 0.63 0.15 -4.88 116.66 100.59 1uye n ARG 87 Ca 0.05 0.58 -0.26 0.00 -0.92 0.00 0.00 57.85 57.30 1uye n ARG 87 Cb 0.35 -5.08 -0.13 0.00 0.45 0.00 0.00 32.46 28.04 1uye n ARG 87 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1uye s THR 88 N -3.70 1.86 -0.14 5.15 -4.23 -0.76 -2.02 115.64 111.80 1uye s THR 88 Ca 0.05 -1.44 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 1uye s THR 88 Cb -0.02 -1.64 0.01 0.00 1.34 0.00 0.00 72.50 72.18 1uye s THR 88 CO 0.83 0.12 -0.20 -0.22 -0.54 0.00 0.00 174.62 174.60 1uye s LEU 89 N -1.59 2.21 -0.12 4.79 2.96 -0.54 -0.87 118.68 125.53 1uye s LEU 89 Ca 0.09 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 1uye s LEU 89 Cb -0.10 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 1uye s LEU 89 CO 0.03 0.08 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.09 1uye s THR 90 N 0.82 2.75 -0.34 3.68 2.01 -0.08 -0.59 115.64 123.89 1uye s THR 90 Ca -0.07 -0.77 -0.07 0.00 0.31 0.00 0.00 61.69 61.09 1uye s THR 90 Cb -0.15 -2.12 0.03 0.00 0.01 0.00 0.00 72.50 70.26 1uye s THR 90 CO -0.02 0.54 0.12 -0.63 -0.69 0.00 0.00 174.62 173.95 1uye s ILE 91 N 0.28 3.98 -0.10 1.82 1.09 0.03 -0.91 121.20 127.39 1uye s ILE 91 Ca -0.12 -1.02 -0.02 0.00 -1.10 0.00 0.00 60.65 58.39 1uye s ILE 91 Cb -0.16 -3.22 -0.03 0.00 -1.06 0.00 0.00 42.46 37.98 1uye s ILE 91 CO 0.06 -0.16 -0.02 -0.69 -0.10 0.00 0.00 174.94 174.03 1uye s VAL 92 N 1.45 4.09 0.07 2.92 1.01 -0.05 -0.70 120.40 129.18 1uye s VAL 92 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1uye s VAL 92 Cb -0.19 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1uye s VAL 92 CO 0.04 0.57 -0.01 1.51 0.00 0.00 0.00 175.10 177.21 1uye s ASP 93 N -0.54 0.47 -0.51 3.32 1.47 0.09 -1.26 116.67 119.72 1uye s ASP 93 Ca 0.09 -1.04 0.02 0.00 1.18 0.00 0.00 52.55 52.80 1uye s ASP 93 Cb -0.12 0.22 0.45 0.00 -0.34 0.00 0.00 42.92 43.13 1uye s ASP 93 CO 0.02 -0.62 1.64 0.35 0.68 0.00 0.00 175.17 177.24 1uye n THR 94 N 0.06 3.11 -0.56 2.11 -2.24 -1.07 -2.24 114.28 113.45 1uye n THR 94 Ca -0.12 -3.62 0.00 0.00 -2.27 0.00 0.00 64.05 58.03 1uye n THR 94 Cb 0.62 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 1uye n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uye n GLY 95 N -0.80 -0.80 0.27 3.38 0.00 -1.26 -4.72 105.19 101.27 1uye n GLY 95 Ca 0.54 -1.67 0.14 0.00 0.00 0.00 0.00 46.02 45.03 1uye n GLY 95 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1uye h ILE 96 N -0.45 0.43 -0.11 -0.61 2.10 -1.31 -3.22 117.51 114.34 1uye h ILE 96 Ca 0.00 -0.45 0.01 0.00 1.08 0.00 0.00 64.86 65.50 1uye h ILE 96 Cb 0.00 1.32 -0.00 0.00 -1.09 0.00 0.00 36.82 37.04 1uye h ILE 96 CO 0.00 0.09 -0.02 0.61 -1.08 0.00 0.00 178.15 177.74 1uye n GLY 97 N -0.66 -1.49 3.16 8.18 0.00 -1.26 -4.27 105.19 108.85 1uye n GLY 97 Ca -0.02 -1.51 -0.23 0.00 0.00 0.00 0.00 46.02 44.25 1uye n GLY 97 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1uye s MET 98 N -1.33 1.26 0.79 1.61 1.00 -1.26 -4.79 119.30 116.58 1uye s MET 98 Ca 0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 55.69 54.94 1uye s MET 98 Cb 0.00 -1.25 0.11 0.00 0.00 0.00 0.00 34.83 33.69 1uye s MET 98 CO 0.00 0.34 1.12 0.95 0.00 0.00 0.00 175.02 177.42 1uye s THR 99 N -0.51 2.14 0.21 2.05 -4.23 -1.26 -3.80 115.64 110.24 1uye s THR 99 Ca 0.06 -0.21 -0.09 0.00 -1.18 0.00 0.00 61.69 60.27 1uye s THR 99 Cb -0.07 -2.93 0.16 0.00 1.34 0.00 0.00 72.50 71.00 1uye s THR 99 CO 0.00 0.00 1.83 0.50 -0.54 0.00 0.00 174.62 176.41 1uye h LYS 100 N -0.93 1.10 -0.69 3.99 3.64 -1.99 -2.42 116.57 119.28 1uye h LYS 100 Ca -0.43 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 58.78 1uye h LYS 100 Cb 1.29 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 1uye h LYS 100 CO 0.52 0.81 0.28 0.00 -2.27 0.00 0.00 179.45 178.80 1uye h ALA 101 N 1.23 1.20 -0.08 5.00 0.00 -1.98 -1.22 119.26 123.40 1uye h ALA 101 Ca 0.28 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1uye h ALA 101 Cb 0.02 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 1uye h ALA 101 CO -0.05 0.59 -0.29 -0.44 0.00 0.00 0.00 179.25 179.06 1uye h ASP 102 N 0.99 -0.90 -0.74 0.00 3.32 -1.85 0.26 116.42 117.51 1uye h ASP 102 Ca 0.23 0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.39 1uye h ASP 102 Cb 0.18 0.38 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 1uye h ASP 102 CO -0.02 -0.35 0.36 -0.07 -1.72 0.00 0.00 179.24 177.45 1uye h LEU 103 N -0.39 0.96 0.09 1.55 3.38 -0.87 -2.57 115.31 117.45 1uye h LEU 103 Ca 0.08 -0.13 -0.36 0.00 0.09 0.00 0.00 57.88 57.57 1uye h LEU 103 Cb 0.52 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1uye h LEU 103 CO -0.30 0.81 -2.00 -0.38 0.09 0.00 0.00 178.44 176.66 1uye n ILE 104 N -4.42 1.72 0.05 1.22 5.41 -0.54 -4.88 119.36 117.92 1uye n ILE 104 Ca 0.06 -0.58 0.00 0.00 1.00 0.00 0.00 62.75 63.24 1uye n ILE 104 Cb 0.13 -1.73 0.00 0.00 -0.71 0.00 0.00 39.64 37.33 1uye n ILE 104 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1uye n ASN 105 N -3.57 0.85 -0.05 4.38 3.02 -0.15 -4.83 115.26 114.91 1uye n ASN 105 Ca -0.34 0.13 -0.08 0.00 -0.03 0.00 0.00 54.58 54.26 1uye n ASN 105 Cb 1.00 -0.24 -0.01 0.00 -0.61 0.00 0.00 39.78 39.92 1uye n ASN 105 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1uye h ASN 106 N 0.00 -0.63 -0.14 6.41 2.35 -0.57 -1.65 115.58 121.35 1uye h ASN 106 Ca 0.00 0.12 -0.17 0.00 -0.55 0.00 0.00 56.30 55.71 1uye h ASN 106 Cb 0.00 0.31 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 1uye h ASN 106 CO 0.00 -0.23 -0.51 -0.07 -1.65 0.00 0.00 177.43 174.97 1uye h LEU 107 N -0.18 0.78 -0.46 1.61 3.38 -1.68 -2.60 115.31 116.16 1uye h LEU 107 Ca 0.14 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 1uye h LEU 107 Cb 0.40 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1uye h LEU 107 CO -0.36 1.15 0.16 1.23 0.09 0.00 0.00 178.44 180.71 1uye h GLY 108 N 0.90 0.76 0.41 0.83 0.00 -1.69 -0.05 103.07 104.24 1uye h GLY 108 Ca 0.02 -0.43 0.05 0.00 0.00 0.00 0.00 47.33 46.97 1uye h GLY 108 CO 0.11 0.41 -0.11 0.00 0.00 0.00 0.00 176.54 176.94 1uye h THR 109 N 0.61 0.64 -0.22 4.70 1.03 -1.15 -1.78 112.91 116.74 1uye h THR 109 Ca 0.15 0.00 0.01 0.00 -0.01 0.00 0.00 66.41 66.56 1uye h THR 109 Cb 0.24 0.64 -0.02 0.00 -1.07 0.00 0.00 68.15 67.94 1uye h THR 109 CO -0.01 0.00 0.12 0.40 -0.01 0.00 0.00 175.52 176.02 1uye h ILE 110 N -0.09 1.01 -0.02 0.00 2.04 -1.37 -2.63 117.51 116.45 1uye h ILE 110 Ca 0.12 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.91 1uye h ILE 110 Cb 0.27 0.74 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1uye h ILE 110 CO -0.29 0.05 0.05 0.00 0.00 0.00 0.00 178.15 177.96 1uye h ALA 111 N 1.10 1.32 -0.36 1.87 0.00 -0.60 -2.96 119.26 119.63 1uye h ALA 111 Ca 0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1uye h ALA 111 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1uye h ALA 111 CO -0.05 -0.06 0.15 -0.22 0.00 0.00 0.00 179.25 179.07 1uye h LYS 112 N 0.00 0.53 -0.26 0.00 3.64 -0.94 -1.52 116.57 118.02 1uye h LYS 112 Ca 0.01 -0.09 -0.10 0.00 -1.27 0.00 0.00 60.65 59.20 1uye h LYS 112 Cb 0.11 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1uye h LYS 112 CO -0.00 0.51 -0.25 0.66 -2.27 0.00 0.00 179.45 178.11 1uye h SER 113 N 0.43 0.49 0.37 4.20 4.64 -1.67 -2.82 113.55 119.18 1uye h SER 113 Ca 0.12 -0.17 -0.17 0.00 -0.47 0.00 0.00 61.79 61.10 1uye h SER 113 Cb 0.18 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1uye h SER 113 CO -0.01 0.74 -0.70 1.23 -0.87 0.00 0.00 176.83 177.21 1uye h GLY 114 N 1.01 0.32 0.94 -0.77 0.00 -1.59 -2.61 103.07 100.38 1uye h GLY 114 Ca 0.06 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1uye h GLY 114 CO 0.05 0.40 -0.04 -0.84 0.00 0.00 0.00 176.54 176.11 1uye h THR 115 N 0.20 0.96 -0.00 4.70 2.02 -1.23 0.76 112.91 120.32 1uye h THR 115 Ca -0.02 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.04 1uye h THR 115 Cb 1.26 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 1uye h THR 115 CO 0.11 0.03 -0.14 0.50 0.37 0.00 0.00 175.52 176.40 1uye h LYS 116 N -0.17 -0.23 -0.24 6.66 3.64 -1.48 0.10 116.57 124.86 1uye h LYS 116 Ca -0.01 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1uye h LYS 116 Cb 0.14 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1uye h LYS 116 CO 0.02 -0.15 0.07 0.00 -2.27 0.00 0.00 179.45 177.12 1uye h ALA 117 N 0.71 0.26 -0.07 5.00 0.00 -1.42 0.26 119.26 124.00 1uye h ALA 117 Ca 0.05 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1uye h ALA 117 Cb 0.30 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1uye h ALA 117 CO -0.14 -0.35 -0.06 0.35 0.00 0.00 0.00 179.25 179.05 1uye h PHE 118 N 0.17 -0.15 -0.76 0.00 3.57 -0.63 0.13 116.94 119.28 1uye h PHE 118 Ca 0.10 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.63 1uye h PHE 118 Cb 0.08 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.86 1uye h PHE 118 CO -0.13 -0.10 0.49 0.52 -2.23 0.00 0.00 178.31 176.86 1uye h MET 119 N -0.08 0.95 -0.07 1.11 2.86 -0.58 -0.55 114.93 118.58 1uye h MET 119 Ca 0.05 -0.06 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 1uye h MET 119 Cb 0.15 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.56 1uye h MET 119 CO -0.11 0.63 -0.11 0.93 1.06 0.00 0.00 176.91 179.30 1uye h GLU 120 N 0.98 -0.15 -0.90 1.72 5.08 -0.12 -2.98 114.58 118.22 1uye h GLU 120 Ca 0.29 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.72 1uye h GLU 120 Cb -0.05 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.18 1uye h GLU 120 CO -0.09 -0.10 0.59 0.00 -1.00 0.00 0.00 179.01 178.41 1uye h ALA 121 N 0.87 1.49 -0.23 3.43 0.00 -0.09 -0.65 119.26 124.08 1uye h ALA 121 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1uye h ALA 121 Cb 0.25 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1uye h ALA 121 CO -0.16 0.39 0.02 -0.07 0.00 0.00 0.00 179.25 179.42 1uye h LEU 122 N 1.05 0.30 -6.47 0.00 3.38 -0.98 -1.73 115.31 110.87 1uye h LEU 122 Ca 0.38 -0.04 -0.77 0.00 0.09 0.00 0.00 57.88 57.54 1uye h LEU 122 Cb 0.15 -0.08 -0.18 0.00 0.09 0.00 0.00 40.66 40.64 1uye h LEU 122 CO -0.13 0.34 1.81 0.00 0.09 0.00 0.00 178.44 180.54 1uye n GLN 123 N -4.37 3.89 0.00 1.13 6.02 -0.25 -2.84 117.38 120.95 1uye n GLN 123 Ca 0.00 -3.73 0.00 0.00 -0.01 0.00 0.00 57.00 53.26 1uye n GLN 123 Cb 0.18 -2.82 0.00 0.00 1.02 0.00 0.00 30.24 28.63 1uye n GLN 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1uye n ALA 124 N 3.15 0.07 -2.18 -1.58 0.00 -0.93 -4.95 120.51 114.10 1uye n ALA 124 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1uye n ALA 124 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1uye n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uye n GLY 125 N 0.00 0.60 3.91 0.00 0.00 -1.13 -5.08 105.19 103.48 1uye n GLY 125 Ca 0.00 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 1uye n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uye s ALA 126 N -2.38 3.02 0.43 4.61 0.00 -0.69 -5.00 121.76 121.74 1uye s ALA 126 Ca 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.32 1uye s ALA 126 Cb 0.00 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 1uye s ALA 126 CO 0.00 -1.22 0.05 0.16 0.00 0.00 0.00 175.76 174.75 1uye s ASP 127 N -4.44 3.37 0.48 0.00 -4.77 -1.26 -4.57 116.67 105.49 1uye s ASP 127 Ca 0.58 -1.56 0.15 0.00 -3.30 0.00 0.00 52.55 48.42 1uye s ASP 127 Cb -0.11 0.25 1.14 0.00 -1.09 0.00 0.00 42.92 43.12 1uye s ASP 127 CO 0.47 -0.77 2.07 0.40 0.70 0.00 0.00 175.17 178.05 1uye h ILE 128 N 1.69 1.06 0.00 2.11 2.04 -1.99 -1.99 117.51 120.44 1uye h ILE 128 Ca -0.41 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1uye h ILE 128 Cb 1.28 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1uye h ILE 128 CO 0.69 0.09 0.00 -1.54 0.00 0.00 0.00 178.15 177.39 1uye n SER 129 N -4.44 0.54 -0.73 1.72 3.41 -1.26 -1.69 113.62 111.18 1uye n SER 129 Ca -0.03 0.75 0.11 0.00 -0.26 0.00 0.00 58.87 59.45 1uye n SER 129 Cb 0.16 -0.82 0.33 0.00 -0.26 0.00 0.00 64.21 63.62 1uye n SER 129 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1uye n MET 130 N -2.23 1.97 -0.26 4.33 2.81 -0.75 -4.42 117.12 118.58 1uye n MET 130 Ca -0.01 -1.45 0.25 0.00 -1.81 0.00 0.00 57.70 54.68 1uye n MET 130 Cb 0.04 -1.44 0.61 0.00 -0.71 0.00 0.00 33.22 31.72 1uye n MET 130 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 1uye h ILE 131 N 2.99 0.56 0.00 2.02 2.10 -1.51 -0.33 117.51 123.34 1uye h ILE 131 Ca 0.00 -0.08 -0.05 0.00 1.08 0.00 0.00 64.86 65.81 1uye h ILE 131 Cb 0.65 0.31 -0.01 0.00 -1.09 0.00 0.00 36.82 36.69 1uye h ILE 131 CO 0.00 0.04 -0.26 1.23 -1.08 0.00 0.00 178.15 178.08 1uye h GLY 132 N 0.23 0.00 1.52 8.18 0.00 -1.85 -2.23 103.07 108.91 1uye h GLY 132 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 1uye h GLY 132 CO -0.14 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.34 1uye n GLN 133 N -3.79 0.26 -0.09 4.80 6.02 -0.13 -2.37 117.38 122.08 1uye n GLN 133 Ca -0.01 0.12 0.04 0.00 -0.01 0.00 0.00 57.00 57.14 1uye n GLN 133 Cb 0.36 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 30.20 1uye n GLN 133 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1uye n PHE 134 N -1.26 0.17 -1.47 1.08 3.72 -0.84 -4.99 117.46 113.87 1uye n PHE 134 Ca 0.08 -0.64 -0.16 0.00 -0.05 0.00 0.00 57.45 56.68 1uye n PHE 134 Cb 0.12 -0.09 -0.07 0.00 -0.94 0.00 0.00 39.48 38.50 1uye n PHE 134 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uye n GLY 135 N -0.51 1.59 0.18 1.37 0.00 -1.00 -4.36 105.19 102.46 1uye n GLY 135 Ca 0.08 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1uye n GLY 135 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1uye n VAL 136 N -2.41 1.95 0.27 1.61 0.24 -1.23 -4.79 118.33 113.97 1uye n VAL 136 Ca -0.16 -2.36 0.17 0.00 -2.04 0.00 0.00 64.34 59.95 1uye n VAL 136 Cb 0.59 -0.24 0.93 0.00 -1.47 0.00 0.00 33.84 33.65 1uye n VAL 136 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1uye h GLY 137 N 0.21 0.00 -0.38 7.63 0.00 -1.84 -2.21 103.07 106.47 1uye h GLY 137 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.59 1uye h GLY 137 CO 0.01 0.00 0.40 -2.75 0.00 0.00 0.00 176.54 174.20 1uye h PHE 138 N 0.00 0.64 0.00 5.60 3.57 -1.87 -1.05 116.94 123.84 1uye h PHE 138 Ca 0.03 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1uye h PHE 138 Cb 0.22 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.83 1uye h PHE 138 CO 0.00 -0.14 0.00 0.66 -2.23 0.00 0.00 178.31 176.60 1uye n TYR 139 N -5.10 0.20 0.24 0.41 4.01 -0.83 -1.33 117.16 114.75 1uye n TYR 139 Ca 0.25 0.07 0.14 0.00 -0.16 0.00 0.00 57.90 58.20 1uye n TYR 139 Cb 0.77 -0.62 0.70 0.00 -0.31 0.00 0.00 39.34 39.88 1uye n TYR 139 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1uye h SER 140 N 0.00 0.00 -0.92 7.72 4.64 -1.37 -1.78 113.55 121.84 1uye h SER 140 Ca 0.00 0.00 0.25 0.00 -0.47 0.00 0.00 61.79 61.57 1uye h SER 140 Cb 0.34 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.38 1uye h SER 140 CO 0.00 0.00 0.65 0.00 -0.87 0.00 0.00 176.83 176.61 1uye h ALA 141 N 2.04 2.68 -0.01 5.18 0.00 -1.39 -1.23 119.26 126.54 1uye h ALA 141 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1uye h ALA 141 Cb 0.09 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1uye h ALA 141 CO 0.00 -0.96 0.00 0.66 0.00 0.00 0.00 179.25 178.95 1uye n TYR 142 N -4.34 0.01 0.05 0.00 4.01 -0.67 -1.23 117.16 114.99 1uye n TYR 142 Ca 0.20 -0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.87 1uye n TYR 142 Cb 0.91 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 40.05 1uye n TYR 142 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1uye h LEU 143 N 0.24 0.41 0.00 7.72 3.38 -1.42 -3.39 115.31 122.25 1uye h LEU 143 Ca 0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1uye h LEU 143 Cb 0.05 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1uye h LEU 143 CO 0.00 0.89 -0.66 1.33 0.09 0.00 0.00 178.44 180.09 1uye n VAL 144 N -3.93 0.00 -4.35 1.22 0.24 -1.06 -5.01 118.33 105.45 1uye n VAL 144 Ca -0.03 -0.14 -0.34 0.00 -2.04 0.00 0.00 64.34 61.79 1uye n VAL 144 Cb 0.59 0.63 -0.10 0.00 -1.47 0.00 0.00 33.84 33.49 1uye n VAL 144 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1uye s ALA 145 N -1.60 3.21 -0.21 2.33 0.00 -0.36 -0.40 121.76 124.72 1uye s ALA 145 Ca 0.00 -0.80 0.17 0.00 0.00 0.00 0.00 51.96 51.32 1uye s ALA 145 Cb 0.00 -1.55 0.11 0.00 0.00 0.00 0.00 23.12 21.69 1uye s ALA 145 CO 0.00 0.43 1.45 1.05 0.00 0.00 0.00 175.76 178.70 1uye h GLU 146 N 5.79 0.00 -3.04 0.00 4.11 -0.97 -3.41 114.58 117.05 1uye h GLU 146 Ca -0.43 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 58.84 1uye h GLU 146 Cb 1.19 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.18 1uye h GLU 146 CO 0.59 0.39 -0.39 0.21 0.07 0.00 0.00 179.01 179.88 1uye s LYS 147 N -3.01 0.33 -0.09 1.06 2.20 -1.20 -4.47 119.74 114.56 1uye s LYS 147 Ca 0.04 0.40 0.03 0.00 -0.36 0.00 0.00 55.97 56.08 1uye s LYS 147 Cb 0.07 0.16 0.01 0.00 -1.51 0.00 0.00 37.83 36.55 1uye s LYS 147 CO 0.73 -0.04 -0.18 0.08 -0.36 0.00 0.00 175.35 175.58 1uye s VAL 148 N 0.18 1.60 -0.11 4.02 1.01 -0.78 -1.30 120.40 125.02 1uye s VAL 148 Ca -0.00 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1uye s VAL 148 Cb -0.02 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 1uye s VAL 148 CO 0.00 0.46 -0.16 -0.89 0.00 0.00 0.00 175.10 174.51 1uye s THR 149 N 0.54 2.75 -0.15 3.92 2.01 -0.21 -1.55 115.64 122.95 1uye s THR 149 Ca -0.16 -0.78 0.01 0.00 0.31 0.00 0.00 61.69 61.07 1uye s THR 149 Cb -0.17 -2.12 0.02 0.00 0.01 0.00 0.00 72.50 70.24 1uye s THR 149 CO 0.06 0.54 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.68 1uye s VAL 150 N 0.24 1.67 -0.16 3.82 1.01 0.58 0.27 120.40 127.83 1uye s VAL 150 Ca -0.11 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 1uye s VAL 150 Cb -0.16 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1uye s VAL 150 CO 0.06 0.48 0.01 -0.63 0.00 0.00 0.00 175.10 175.01 1uye s ILE 151 N 1.41 4.31 -0.03 2.22 -1.09 0.06 -0.79 121.20 127.28 1uye s ILE 151 Ca 0.04 -0.21 -0.12 0.00 -2.23 0.00 0.00 60.65 58.13 1uye s ILE 151 Cb -0.13 -2.91 0.02 0.00 -1.58 0.00 0.00 42.46 37.86 1uye s ILE 151 CO -0.11 0.49 0.26 0.28 -1.23 0.00 0.00 174.94 174.64 1uye s THR 152 N 0.28 0.05 -0.08 2.92 -1.32 -0.50 -0.33 115.64 116.66 1uye s THR 152 Ca -0.00 -0.41 -0.01 0.00 -1.21 0.00 0.00 61.69 60.05 1uye s THR 152 Cb -0.13 -0.52 0.03 0.00 -1.51 0.00 0.00 72.50 70.36 1uye s THR 152 CO 0.02 -0.23 -0.00 -0.75 -2.21 0.00 0.00 174.62 171.45 1uye s LYS 153 N -0.99 0.65 -0.07 7.08 2.47 0.66 -1.23 119.74 128.32 1uye s LYS 153 Ca -0.11 0.08 -0.05 0.00 -1.56 0.00 0.00 55.97 54.34 1uye s LYS 153 Cb -0.05 -1.03 -0.04 0.00 -1.46 0.00 0.00 37.83 35.25 1uye s LYS 153 CO 0.03 -0.31 0.14 -1.58 0.16 0.00 0.00 175.35 173.79 1uye s HIS 154 N 1.96 3.53 0.45 4.03 5.65 -1.25 -1.21 115.29 128.45 1uye s HIS 154 Ca 0.05 0.42 0.29 0.00 0.25 0.00 0.00 55.06 56.07 1uye s HIS 154 Cb -0.12 -1.87 1.37 0.00 -1.18 0.00 0.00 32.58 30.77 1uye s HIS 154 CO -0.05 0.67 1.70 -0.91 -0.65 0.00 0.00 174.74 175.50 1uye h ASN 155 N 4.48 0.25 0.53 9.88 2.35 -1.90 -1.82 115.58 129.36 1uye h ASN 155 Ca -0.52 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1uye h ASN 155 Cb 1.21 0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.63 1uye h ASN 155 CO 0.62 -0.05 -0.19 0.47 -1.65 0.00 0.00 177.43 176.63 1uye n ASP 156 N -4.52 0.41 -3.17 5.81 8.00 -1.26 -4.97 116.55 116.85 1uye n ASP 156 Ca 0.32 -0.27 -0.19 0.00 0.71 0.00 0.00 54.79 55.36 1uye n ASP 156 Cb 1.27 -0.07 -0.07 0.00 -0.02 0.00 0.00 41.12 42.22 1uye n ASP 156 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1uye n ASP 157 N -1.20 -0.06 -4.71 -2.24 -0.08 -0.68 -5.12 116.55 102.46 1uye n ASP 157 Ca 0.10 -2.94 -0.28 0.00 -1.51 0.00 0.00 54.79 50.17 1uye n ASP 157 Cb 0.31 1.30 0.11 0.00 2.34 0.00 0.00 41.12 45.18 1uye n ASP 157 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1uye s GLU 158 N -3.25 1.70 0.15 -0.67 0.41 -1.26 -4.64 118.70 111.13 1uye s GLU 158 Ca 0.30 -0.24 -0.27 0.00 -0.41 0.00 0.00 54.97 54.35 1uye s GLU 158 Cb 0.01 -2.03 -0.07 0.00 -1.78 0.00 0.00 34.13 30.26 1uye s GLU 158 CO 0.21 -1.66 0.85 -1.14 -0.49 0.00 0.00 175.26 173.03 1uye s GLN 159 N -5.50 4.65 0.18 1.61 0.74 -1.26 -4.45 119.66 115.63 1uye s GLN 159 Ca 0.65 1.27 0.08 0.00 0.05 0.00 0.00 55.36 57.41 1uye s GLN 159 Cb -0.09 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.67 1uye s GLN 159 CO 0.48 0.43 -0.15 0.71 -0.55 0.00 0.00 175.29 176.21 1uye s TYR 160 N -0.69 1.67 -0.15 1.67 2.02 -0.37 -1.56 117.35 119.95 1uye s TYR 160 Ca 0.40 -0.56 0.02 0.00 -0.37 0.00 0.00 57.07 56.56 1uye s TYR 160 Cb -0.23 -0.80 0.01 0.00 -0.40 0.00 0.00 41.96 40.54 1uye s TYR 160 CO 0.28 0.31 -0.20 0.00 -1.57 0.00 0.00 175.55 174.37 1uye s ALA 161 N -2.69 2.18 0.00 3.71 0.00 -0.17 -1.40 121.76 123.39 1uye s ALA 161 Ca 0.19 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1uye s ALA 161 Cb -0.02 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1uye s ALA 161 CO 0.06 -0.12 0.05 -0.46 0.00 0.00 0.00 175.76 175.29 1uye s TRP 162 N 0.97 3.20 -0.01 0.00 -0.00 0.03 -1.47 118.94 121.66 1uye s TRP 162 Ca -0.04 0.15 -0.14 0.00 -0.00 0.00 0.00 56.10 56.07 1uye s TRP 162 Cb -0.15 -1.71 0.02 0.00 -0.00 0.00 0.00 33.47 31.64 1uye s TRP 162 CO -0.05 0.52 0.29 -2.00 -0.00 0.00 0.00 176.95 175.71 1uye s GLU 163 N -1.70 0.65 -0.23 5.86 2.12 -0.70 -0.31 118.70 124.40 1uye s GLU 163 Ca 0.22 -0.21 -0.19 0.00 0.36 0.00 0.00 54.97 55.15 1uye s GLU 163 Cb -0.12 0.29 0.06 0.00 0.26 0.00 0.00 34.13 34.62 1uye s GLU 163 CO 0.13 -0.18 0.59 0.45 -0.54 0.00 0.00 175.26 175.71 1uye s SER 164 N -1.33 -0.65 -0.27 -1.70 0.15 -0.59 -1.17 113.70 108.14 1uye s SER 164 Ca -0.14 1.21 0.12 0.00 0.70 0.00 0.00 55.95 57.85 1uye s SER 164 Cb -0.05 1.19 0.69 0.00 -1.71 0.00 0.00 66.02 66.14 1uye s SER 164 CO 0.04 -0.21 1.67 -1.20 1.20 0.00 0.00 173.24 174.74 1uye n SER 165 N 3.10 4.63 0.00 5.45 7.64 -1.26 -1.86 113.62 131.32 1uye n SER 165 Ca -0.15 -3.15 0.00 0.00 1.01 0.00 0.00 58.87 56.57 1uye n SER 165 Cb 0.56 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 1uye n SER 165 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uye n ALA 166 N -0.14 0.00 -1.05 -0.43 0.00 -1.26 -4.88 120.51 112.75 1uye n ALA 166 Ca 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.75 1uye n ALA 166 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.64 1uye n ALA 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uye n GLY 167 N 0.00 0.52 0.97 0.00 0.00 -1.26 -3.94 105.19 101.47 1uye n GLY 167 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1uye n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uye n GLY 168 N -2.42 0.67 3.06 -0.02 0.00 -1.26 -5.04 105.19 100.17 1uye n GLY 168 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1uye n GLY 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uye s SER 169 N -2.98 0.54 0.06 1.61 1.04 -1.25 -1.92 113.70 110.80 1uye s SER 169 Ca 0.00 -0.75 -0.00 0.00 0.48 0.00 0.00 55.95 55.68 1uye s SER 169 Cb 0.00 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 1uye s SER 169 CO 0.00 -0.41 -0.04 0.72 0.98 0.00 0.00 173.24 174.49 1uye s PHE 170 N -2.61 0.58 0.27 5.02 -0.12 -0.60 -4.37 117.98 116.16 1uye s PHE 170 Ca -0.03 -0.96 0.11 0.00 -0.05 0.00 0.00 56.93 56.00 1uye s PHE 170 Cb -0.02 -0.40 -0.05 0.00 -0.63 0.00 0.00 43.02 41.93 1uye s PHE 170 CO -0.04 -0.30 -0.09 0.95 -0.05 0.00 0.00 175.22 175.69 1uye s THR 171 N -3.50 3.04 -0.05 -4.49 -4.23 -0.32 -0.49 115.64 105.61 1uye s THR 171 Ca 0.05 -2.10 -0.02 0.00 -1.18 0.00 0.00 61.69 58.44 1uye s THR 171 Cb 0.05 -2.61 0.03 0.00 1.34 0.00 0.00 72.50 71.31 1uye s THR 171 CO -0.07 -0.37 0.11 -0.69 -0.54 0.00 0.00 174.62 173.05 1uye s VAL 172 N -2.37 -0.05 0.03 2.29 1.01 -0.47 -1.72 120.40 119.13 1uye s VAL 172 Ca 0.30 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1uye s VAL 172 Cb -0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 1uye s VAL 172 CO 0.18 0.07 -0.04 0.00 0.00 0.00 0.00 175.10 175.31 1uye s ARG 173 N 1.05 0.43 0.25 2.72 1.70 -0.54 -1.49 118.95 123.07 1uye s ARG 173 Ca -0.08 -0.78 -0.30 0.00 -0.47 0.00 0.00 55.73 54.09 1uye s ARG 173 Cb -0.11 0.03 -0.10 0.00 -0.57 0.00 0.00 34.95 34.20 1uye s ARG 173 CO -0.05 -0.04 1.49 0.95 -1.08 0.00 0.00 175.30 176.58 1uye s THR 174 N -1.98 2.53 -0.21 4.99 -4.23 -1.26 -1.00 115.64 114.48 1uye s THR 174 Ca -0.09 0.44 -0.19 0.00 -1.18 0.00 0.00 61.69 60.66 1uye s THR 174 Cb -0.06 -3.28 -0.03 0.00 1.34 0.00 0.00 72.50 70.47 1uye s THR 174 CO -0.02 0.06 0.54 -0.62 -0.54 0.00 0.00 174.62 174.04 1uye s ASP 175 N 0.50 6.57 0.00 3.99 2.15 -0.60 -4.78 116.67 124.49 1uye s ASP 175 Ca 0.62 0.68 0.20 0.00 0.43 0.00 0.00 52.55 54.48 1uye s ASP 175 Cb -0.43 -2.30 0.18 0.00 -0.30 0.00 0.00 42.92 40.07 1uye s ASP 175 CO 0.43 -0.22 1.15 0.35 -0.17 0.00 0.00 175.17 176.71 1uye n THR 176 N 4.67 0.07 0.00 1.71 -2.24 -1.26 -4.73 114.28 112.50 1uye n THR 176 Ca -0.04 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 1uye n THR 176 Cb 0.50 1.35 0.00 0.00 -2.10 0.00 0.00 70.33 70.09 1uye n THR 176 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uye n GLY 177 N 1.14 -3.21 3.67 3.38 0.00 -1.26 -4.86 105.19 104.05 1uye n GLY 177 Ca 0.12 -1.06 -0.47 0.00 0.00 0.00 0.00 46.02 44.61 1uye n GLY 177 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1uye n GLU 178 N -1.37 2.07 -1.97 1.61 2.13 -1.26 -4.94 120.64 116.91 1uye n GLU 178 Ca 0.00 0.75 -0.41 0.00 0.66 0.00 0.00 57.16 58.16 1uye n GLU 178 Cb 0.00 -2.53 -0.01 0.00 0.27 0.00 0.00 31.44 29.17 1uye n GLU 178 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 1uye s PRO 179 N 1.69 4.24 0.00 5.31 0.02 -1.26 -4.96 135.00 140.03 1uye s PRO 179 Ca 0.83 2.38 0.18 0.00 0.02 0.00 0.00 61.00 64.41 1uye s PRO 179 Cb -0.71 -3.03 -0.01 0.00 0.02 0.00 0.00 34.50 30.77 1uye s PRO 179 CO 0.42 -0.36 0.94 0.00 -0.33 0.00 0.00 177.00 177.66 1uye n MET 180 N 0.89 1.52 0.00 5.54 0.00 -1.26 -5.03 117.12 118.77 1uye n MET 180 Ca 0.01 -0.88 0.00 0.00 0.00 0.00 0.00 57.70 56.84 1uye n MET 180 Cb 0.40 -1.35 0.00 0.00 0.00 0.00 0.00 33.22 32.28 1uye n MET 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1uye n GLY 181 N 1.25 1.99 3.64 3.17 0.00 -1.26 -4.71 105.19 109.27 1uye n GLY 181 Ca 0.08 -0.42 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 1uye n GLY 181 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1uye s ARG 182 N 0.00 0.41 0.00 1.61 3.52 -1.25 -4.84 118.95 118.39 1uye s ARG 182 Ca 0.00 0.61 0.00 0.00 -0.13 0.00 0.00 55.73 56.21 1uye s ARG 182 Cb 0.00 0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.52 1uye s ARG 182 CO 0.00 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 174.83 1uye n GLY 183 N 3.12 0.93 3.12 8.12 0.00 -0.35 -4.45 105.19 115.68 1uye n GLY 183 Ca -0.16 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 1uye n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uye s THR 184 N -2.77 0.00 -0.15 2.61 2.01 -0.95 -0.24 115.64 116.15 1uye s THR 184 Ca 0.00 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.01 1uye s THR 184 Cb 0.00 -0.34 0.01 0.00 0.01 0.00 0.00 72.50 72.19 1uye s THR 184 CO 0.00 -0.01 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.18 1uye s LYS 185 N 0.09 2.90 -0.32 4.92 1.02 0.55 -0.73 119.74 128.18 1uye s LYS 185 Ca -0.00 -0.81 -0.08 0.00 0.02 0.00 0.00 55.97 55.10 1uye s LYS 185 Cb -0.02 -2.40 0.01 0.00 -0.52 0.00 0.00 37.83 34.91 1uye s LYS 185 CO 0.00 -0.07 0.11 0.08 -0.92 0.00 0.00 175.35 174.56 1uye s VAL 186 N 0.96 4.12 -0.31 3.17 1.01 0.12 -0.76 120.40 128.71 1uye s VAL 186 Ca -0.04 -0.76 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 1uye s VAL 186 Cb -0.15 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1uye s VAL 186 CO -0.05 -0.02 0.21 -0.63 0.00 0.00 0.00 175.10 174.61 1uye s ILE 187 N 1.51 5.23 -0.39 2.22 1.01 0.14 -0.79 121.20 130.12 1uye s ILE 187 Ca 0.02 -0.06 -0.16 0.00 0.00 0.00 0.00 60.65 60.46 1uye s ILE 187 Cb -0.18 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.71 1uye s ILE 187 CO 0.04 0.12 0.36 -0.76 0.00 0.00 0.00 174.94 174.70 1uye s LEU 188 N 1.73 4.79 -0.62 2.97 1.43 0.24 -1.05 118.68 128.18 1uye s LEU 188 Ca 0.06 -0.60 -0.23 0.00 -1.03 0.00 0.00 54.13 52.34 1uye s LEU 188 Cb -0.17 -2.29 0.06 0.00 0.03 0.00 0.00 46.19 43.82 1uye s LEU 188 CO 0.10 -0.45 0.95 -1.00 0.23 0.00 0.00 176.35 176.18 1uye s HIS 189 N 1.94 2.72 0.40 0.29 3.76 -0.42 -1.46 115.29 122.52 1uye s HIS 189 Ca 0.09 -0.34 -0.25 0.00 -0.15 0.00 0.00 55.06 54.41 1uye s HIS 189 Cb -0.17 -4.19 -0.09 0.00 1.11 0.00 0.00 32.58 29.24 1uye s HIS 189 CO 0.12 -1.53 1.12 -0.51 -0.85 0.00 0.00 174.74 173.09 1uye s LEU 190 N 4.01 4.18 0.49 0.89 1.43 -0.86 -0.41 118.68 128.42 1uye s LEU 190 Ca 0.25 2.22 -0.22 0.00 -1.03 0.00 0.00 54.13 55.36 1uye s LEU 190 Cb -0.15 -4.07 -0.09 0.00 0.03 0.00 0.00 46.19 41.91 1uye s LEU 190 CO 0.14 -0.59 0.95 0.29 0.23 0.00 0.00 176.35 177.36 1uye n LYS 191 N 0.05 1.14 -0.23 1.70 5.02 0.46 -4.55 118.16 121.75 1uye n LYS 191 Ca 0.04 0.42 0.12 0.00 -2.02 0.00 0.00 58.31 56.87 1uye n LYS 191 Cb 0.48 -2.05 0.40 0.00 -0.02 0.00 0.00 35.03 33.83 1uye n LYS 191 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1uye h GLU 192 N 1.09 0.63 -0.55 1.97 4.81 -1.94 0.46 114.58 121.04 1uye h GLU 192 Ca -0.46 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1uye h GLU 192 Cb 1.35 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1uye h GLU 192 CO 0.54 0.41 0.00 -0.40 -0.73 0.00 0.00 179.01 178.83 1uye n ASP 193 N -4.53 2.49 -0.35 1.04 5.75 -1.26 -4.17 116.55 115.52 1uye n ASP 193 Ca 0.15 -2.20 0.08 0.00 -0.01 0.00 0.00 54.79 52.82 1uye n ASP 193 Cb 0.43 -0.39 0.16 0.00 -1.03 0.00 0.00 41.12 40.30 1uye n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uye n GLN 194 N 0.42 2.06 0.00 0.11 1.13 0.15 -4.75 117.38 116.51 1uye n GLN 194 Ca 0.12 -2.52 0.11 0.00 -1.94 0.00 0.00 57.00 52.77 1uye n GLN 194 Cb 0.48 -1.54 0.59 0.00 0.11 0.00 0.00 30.24 29.88 1uye n GLN 194 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1uye n THR 195 N -0.94 0.15 0.24 5.09 -2.24 -1.26 -2.76 114.28 112.56 1uye n THR 195 Ca 0.16 0.04 0.11 0.00 -2.27 0.00 0.00 64.05 62.09 1uye n THR 195 Cb 0.67 -0.70 0.72 0.00 -2.10 0.00 0.00 70.33 68.91 1uye n THR 195 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1uye h GLU 196 N 0.00 0.00 0.00 -0.78 4.11 -1.94 -2.30 114.58 113.67 1uye h GLU 196 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1uye h GLU 196 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1uye h GLU 196 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.74 1uye n TYR 197 N -4.33 0.00 1.08 2.06 4.01 -1.11 -1.54 117.16 117.32 1uye n TYR 197 Ca -0.01 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.84 1uye n TYR 197 Cb 0.15 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.30 1uye n TYR 197 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1uye n LEU 198 N -0.76 1.61 -4.71 7.72 4.77 -0.86 -4.82 117.00 119.94 1uye n LEU 198 Ca 0.10 -0.57 -0.38 0.00 -0.03 0.00 0.00 56.01 55.14 1uye n LEU 198 Cb 0.05 -0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1uye n LEU 198 CO 0.08 0.31 0.20 -1.61 -1.33 0.00 0.00 177.39 175.03 1uye s GLU 199 N -2.54 4.33 0.13 3.23 2.02 -0.59 -4.91 118.70 120.38 1uye s GLU 199 Ca 0.19 0.48 -0.19 0.00 0.02 0.00 0.00 54.97 55.47 1uye s GLU 199 Cb 0.18 -3.45 -0.03 0.00 0.10 0.00 0.00 34.13 30.93 1uye s GLU 199 CO 0.58 0.11 1.74 1.49 0.02 0.00 0.00 175.26 179.20 1uye h GLU 200 N 6.81 0.13 -0.46 1.61 4.81 -1.92 -0.86 114.58 124.70 1uye h GLU 200 Ca -0.40 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.85 1uye h GLU 200 Cb 1.18 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1uye h GLU 200 CO 0.75 0.09 0.31 0.07 -0.73 0.00 0.00 179.01 179.50 1uye h ARG 201 N 0.14 0.51 -0.12 1.92 0.11 -1.95 -1.06 114.38 113.94 1uye h ARG 201 Ca 0.09 -0.03 -0.11 0.00 0.10 0.00 0.00 59.98 60.03 1uye h ARG 201 Cb 0.08 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.05 1uye h ARG 201 CO -0.11 0.34 -0.36 -0.09 0.10 0.00 0.00 179.97 179.85 1uye h ARG 202 N 0.53 0.45 -0.30 0.08 9.65 -1.62 -2.48 114.38 120.69 1uye h ARG 202 Ca 0.18 -0.33 -0.01 0.00 -1.10 0.00 0.00 59.98 58.72 1uye h ARG 202 Cb 0.08 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 1uye h ARG 202 CO -0.04 0.95 0.14 0.82 2.80 0.00 0.00 179.97 184.64 1uye h ILE 203 N 0.04 1.15 -0.03 1.20 1.08 -0.90 -2.16 117.51 117.91 1uye h ILE 203 Ca -0.01 -0.44 0.02 0.00 -0.39 0.00 0.00 64.86 64.04 1uye h ILE 203 Cb 0.98 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 35.61 1uye h ILE 203 CO 0.08 0.16 -0.06 0.11 -0.69 0.00 0.00 178.15 177.74 1uye h LYS 204 N 0.34 -0.09 -0.62 2.37 1.57 -1.22 -1.40 116.57 117.52 1uye h LYS 204 Ca 0.10 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.01 1uye h LYS 204 Cb 0.12 0.02 -0.12 0.00 0.08 0.00 0.00 32.23 32.33 1uye h LYS 204 CO -0.01 -0.06 -0.25 1.49 -0.57 0.00 0.00 179.45 180.04 1uye h GLU 205 N -0.10 -0.09 -0.40 3.15 4.81 -1.40 0.15 114.58 120.72 1uye h GLU 205 Ca 0.03 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1uye h GLU 205 Cb 0.14 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1uye h GLU 205 CO -0.08 -0.06 0.06 0.82 -0.73 0.00 0.00 179.01 179.02 1uye h ILE 206 N -0.09 1.24 -0.46 2.32 2.04 -0.84 0.04 117.51 121.77 1uye h ILE 206 Ca 0.28 -0.88 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 1uye h ILE 206 Cb 0.53 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1uye h ILE 206 CO -0.68 0.30 0.15 0.58 0.00 0.00 0.00 178.15 178.50 1uye h VAL 207 N 0.51 1.22 -0.69 1.67 2.07 -0.96 0.60 116.25 120.66 1uye h VAL 207 Ca 0.12 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 1uye h VAL 207 Cb 0.38 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1uye h VAL 207 CO 0.01 0.26 0.37 0.50 0.02 0.00 0.00 177.57 178.73 1uye h LYS 208 N 0.60 0.97 -0.31 1.57 3.64 -0.48 -0.30 116.57 122.26 1uye h LYS 208 Ca 0.15 -0.12 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 1uye h LYS 208 Cb 0.25 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1uye h LYS 208 CO -0.01 0.74 -0.31 -0.22 -2.27 0.00 0.00 179.45 177.38 1uye h LYS 209 N 0.95 0.77 0.00 1.90 3.64 -0.53 -3.37 116.57 119.94 1uye h LYS 209 Ca 0.24 -0.40 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1uye h LYS 209 Cb 0.05 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1uye h LYS 209 CO -0.04 1.03 -1.25 0.72 -2.27 0.00 0.00 179.45 177.65 1uye n HIS 210 N -4.21 0.00 -2.25 1.91 8.25 0.16 -4.80 115.22 114.28 1uye n HIS 210 Ca -0.03 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1uye n HIS 210 Cb 0.49 -0.13 0.08 0.00 1.12 0.00 0.00 29.99 31.54 1uye n HIS 210 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1uye n SER 211 N -1.76 1.60 0.22 0.41 7.64 -0.15 -4.88 113.62 116.70 1uye n SER 211 Ca -0.02 -2.69 0.09 0.00 1.01 0.00 0.00 58.87 57.26 1uye n SER 211 Cb 0.22 -0.39 0.46 0.00 -1.01 0.00 0.00 64.21 63.49 1uye n SER 211 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1uye h GLN 212 N 1.32 0.00 -0.46 1.43 -0.00 -1.64 -3.20 115.11 112.56 1uye h GLN 212 Ca -0.10 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.40 1uye h GLN 212 Cb 1.53 0.00 -0.09 0.00 -0.00 0.00 0.00 27.48 28.92 1uye h GLN 212 CO 0.14 0.25 0.09 1.19 -0.00 0.00 0.00 178.83 180.49 1uye n PHE 213 N -3.46 1.52 -2.18 0.06 3.72 -1.26 -5.00 117.46 110.87 1uye n PHE 213 Ca -0.00 -1.26 -0.42 0.00 -0.05 0.00 0.00 57.45 55.72 1uye n PHE 213 Cb 0.42 -0.51 -0.03 0.00 -0.94 0.00 0.00 39.48 38.42 1uye n PHE 213 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1uye s ILE 214 N -3.04 3.20 -0.15 4.37 -1.09 -1.21 -4.92 121.20 118.36 1uye s ILE 214 Ca 0.47 0.93 0.00 0.00 -2.23 0.00 0.00 60.65 59.82 1uye s ILE 214 Cb 0.40 -3.59 0.17 0.00 -1.58 0.00 0.00 42.46 37.85 1uye s ILE 214 CO 0.07 0.11 1.55 0.61 -1.23 0.00 0.00 174.94 176.05 1uye n GLY 215 N 2.90 3.00 3.01 6.18 0.00 -1.26 -4.77 105.19 114.24 1uye n GLY 215 Ca 0.09 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 1uye n GLY 215 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uye s TYR 216 N -1.01 0.19 0.30 1.61 2.02 -1.26 -5.10 117.35 114.10 1uye s TYR 216 Ca 0.17 -0.39 -0.30 0.00 -0.37 0.00 0.00 57.07 56.19 1uye s TYR 216 Cb 0.14 -0.14 -0.11 0.00 -0.40 0.00 0.00 41.96 41.45 1uye s TYR 216 CO 0.02 -0.20 1.54 -2.14 -1.57 0.00 0.00 175.55 173.19 1uye s PRO 217 N -1.34 4.15 -0.27 -1.71 0.02 -1.26 -4.85 135.00 129.74 1uye s PRO 217 Ca -0.15 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.40 1uye s PRO 217 Cb -0.09 -3.03 0.05 0.00 0.02 0.00 0.00 34.50 31.45 1uye s PRO 217 CO -0.00 -0.56 -0.07 0.42 -0.33 0.00 0.00 177.00 176.45 1uye s ILE 218 N -0.28 2.56 -0.29 2.83 1.01 -1.26 -1.43 121.20 124.34 1uye s ILE 218 Ca 0.60 -1.40 -0.13 0.00 0.00 0.00 0.00 60.65 59.72 1uye s ILE 218 Cb -0.46 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 1uye s ILE 218 CO 0.50 0.02 0.27 -0.89 0.00 0.00 0.00 174.94 174.85 1uye s THR 219 N 1.20 5.25 -0.38 2.92 2.01 0.18 -4.99 115.64 121.83 1uye s THR 219 Ca -0.05 0.24 -0.19 0.00 0.31 0.00 0.00 61.69 62.00 1uye s THR 219 Cb -0.19 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.69 1uye s THR 219 CO -0.04 0.15 0.56 -0.22 -0.69 0.00 0.00 174.62 174.38 1uye s LEU 220 N 1.89 4.44 0.41 4.42 2.96 -1.26 -0.87 118.68 130.66 1uye s LEU 220 Ca 0.10 -0.17 -0.22 0.00 -0.22 0.00 0.00 54.13 53.62 1uye s LEU 220 Cb -0.16 -2.63 -0.10 0.00 0.50 0.00 0.00 46.19 43.80 1uye s LEU 220 CO 0.11 -0.59 0.98 -0.36 -1.32 0.00 0.00 176.35 175.16 1uye s PHE 221 N 2.53 3.33 0.46 5.38 0.40 -0.60 -4.99 117.98 124.49 1uye s PHE 221 Ca 0.20 1.65 0.06 0.00 -0.60 0.00 0.00 56.93 58.24 1uye s PHE 221 Cb -0.15 -2.95 -0.02 0.00 0.51 0.00 0.00 43.02 40.41 1uye s PHE 221 CO 0.15 -0.25 0.24 0.14 0.70 0.00 0.00 175.22 176.20 1uye s VAL 222 N -1.94 2.07 -0.03 -0.44 -7.23 -1.26 -4.54 120.40 107.02 1uye s VAL 222 Ca 0.60 -1.63 -0.01 0.00 -1.81 0.00 0.00 61.98 59.12 1uye s VAL 222 Cb -0.14 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.05 1uye s VAL 222 CO 0.19 0.00 0.08 -1.61 -0.31 0.00 0.00 175.10 173.45 1uye s GLU 223 N -4.02 3.11 0.00 4.82 2.02 -1.26 -4.98 118.70 118.39 1uye s GLU 223 Ca 0.37 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.93 1uye s GLU 223 Cb 0.01 -2.89 0.00 0.00 0.10 0.00 0.00 34.13 31.35 1uye s GLU 223 CO 0.21 0.67 0.00 0.36 0.02 0.00 0.00 175.26 176.52