#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jyj s ARG 2 N 0.00 1.64 -0.36 3.44 1.70 -1.26 -5.03 118.95 119.08 1jyj s ARG 2 Ca 0.00 0.45 -0.12 0.00 -0.47 0.00 0.00 55.73 55.59 1jyj s ARG 2 Cb 0.00 -1.88 0.01 0.00 -0.57 0.00 0.00 34.95 32.51 1jyj s ARG 2 CO 0.00 -1.89 0.23 0.34 -1.08 0.00 0.00 175.30 172.90 1jyj s ASP 3 N -3.99 5.88 -0.13 -2.89 -1.08 -1.26 -4.93 116.67 108.27 1jyj s ASP 3 Ca 0.62 -0.75 0.16 0.00 -0.52 0.00 0.00 52.55 52.06 1jyj s ASP 3 Cb -0.14 -2.08 0.59 0.00 -1.46 0.00 0.00 42.92 39.82 1jyj s ASP 3 CO 0.54 -0.33 1.50 0.00 0.52 0.00 0.00 175.17 177.40 1jyj s ARG 5 N -2.09 4.39 0.31 0.00 0.52 -1.26 -4.23 118.95 116.59 1jyj s ARG 5 Ca 0.43 1.82 0.05 0.00 -0.52 0.00 0.00 55.73 57.51 1jyj s ARG 5 Cb 0.30 -3.39 0.67 0.00 0.52 0.00 0.00 34.95 33.06 1jyj s ARG 5 CO 0.17 -0.35 1.84 0.28 0.02 0.00 0.00 175.30 177.27 1jyj h VAL 6 N 4.59 0.87 0.00 3.52 2.07 -1.52 0.13 116.25 125.91 1jyj h VAL 6 Ca -0.40 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1jyj h VAL 6 Cb 1.20 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1jyj h VAL 6 CO 0.84 0.16 0.00 -1.54 0.02 0.00 0.00 177.57 177.05 1jyj n SER 7 N -4.61 0.37 0.02 0.57 3.41 -1.26 -1.98 113.62 110.15 1jyj n SER 7 Ca 0.19 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.54 1jyj n SER 7 Cb 0.42 -0.70 -0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1jyj n SER 7 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1jyj n SER 8 N -1.96 0.60 -4.70 4.04 3.41 0.46 -4.95 113.62 110.52 1jyj n SER 8 Ca 0.01 -0.26 -0.42 0.00 -0.26 0.00 0.00 58.87 57.94 1jyj n SER 8 Cb 0.11 0.90 -0.03 0.00 -0.26 0.00 0.00 64.21 64.93 1jyj n SER 8 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1jyj s PHE 9 N -3.20 2.74 0.45 7.33 2.99 -0.84 -5.00 117.98 122.44 1jyj s PHE 9 Ca 0.03 0.48 -0.18 0.00 0.00 0.00 0.00 56.93 57.27 1jyj s PHE 9 Cb 0.14 -3.93 -0.09 0.00 0.00 0.00 0.00 43.02 39.14 1jyj s PHE 9 CO 0.82 -3.60 0.92 1.03 -0.00 0.00 0.00 175.22 174.39 1jyj s ARG 10 N 1.93 4.06 0.31 0.44 0.52 -1.26 -5.08 118.95 119.87 1jyj s ARG 10 Ca 0.72 0.95 0.03 0.00 -0.52 0.00 0.00 55.73 56.90 1jyj s ARG 10 Cb -0.41 -2.21 -0.05 0.00 0.52 0.00 0.00 34.95 32.80 1jyj s ARG 10 CO 0.32 -0.10 0.11 0.14 0.02 0.00 0.00 175.30 175.78 1jyj s VAL 11 N -2.35 0.65 -0.05 3.52 -7.23 -1.26 -4.78 120.40 108.91 1jyj s VAL 11 Ca 0.59 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.45 1jyj s VAL 11 Cb -0.10 -2.59 -0.09 0.00 0.56 0.00 0.00 36.38 34.17 1jyj s VAL 11 CO 0.22 0.00 2.01 1.17 -0.31 0.00 0.00 175.10 178.19 1jyj n LYS 12 N -0.63 2.50 -2.11 4.82 3.00 -0.15 -4.91 118.16 120.68 1jyj n LYS 12 Ca -0.01 0.88 -0.41 0.00 -0.00 0.00 0.00 58.31 58.76 1jyj n LYS 12 Cb 0.66 -2.96 -0.03 0.00 0.00 0.00 0.00 35.03 32.71 1jyj n LYS 12 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1jyj s GLU 13 N 4.79 4.33 -1.57 1.64 2.12 -1.26 -3.01 118.70 125.74 1jyj s GLU 13 Ca 0.93 2.20 -0.13 0.00 0.36 0.00 0.00 54.97 58.32 1jyj s GLU 13 Cb -0.49 -3.13 0.10 0.00 0.26 0.00 0.00 34.13 30.87 1jyj s GLU 13 CO 0.43 -0.32 0.81 0.09 -0.54 0.00 0.00 175.26 175.73 1jyj n ASN 14 N 2.19 -3.34 -4.58 -1.70 3.02 -1.26 -4.81 115.26 104.78 1jyj n ASN 14 Ca 0.05 -0.91 -0.51 0.00 -0.03 0.00 0.00 54.58 53.19 1jyj n ASN 14 Cb 0.41 -3.33 -0.05 0.00 -0.61 0.00 0.00 39.78 36.20 1jyj n ASN 14 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1jyj n PHE 15 N -4.50 1.34 -3.77 3.10 -0.00 -1.16 -4.93 117.46 107.55 1jyj n PHE 15 Ca -0.02 0.68 -0.37 0.00 -0.00 0.00 0.00 57.45 57.75 1jyj n PHE 15 Cb 0.54 -2.29 -0.12 0.00 -0.00 0.00 0.00 39.48 37.62 1jyj n PHE 15 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1jyj s ASP 16 N 0.23 5.26 0.20 -2.13 3.68 -1.26 -4.84 116.67 117.81 1jyj s ASP 16 Ca 0.80 -1.70 -0.12 0.00 2.13 0.00 0.00 52.55 53.66 1jyj s ASP 16 Cb -0.93 -1.84 0.23 0.00 -1.45 0.00 0.00 42.92 38.93 1jyj s ASP 16 CO 0.50 -0.47 1.72 0.11 0.13 0.00 0.00 175.17 177.16 1jyj h LYS 17 N 8.12 0.27 -0.18 4.34 1.57 -1.93 -2.38 116.57 126.39 1jyj h LYS 17 Ca -0.17 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1jyj h LYS 17 Cb 1.06 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.27 1jyj h LYS 17 CO 0.67 0.18 -0.08 0.00 -0.57 0.00 0.00 179.45 179.65 1jyj h ALA 18 N 1.41 0.08 0.00 3.86 0.00 -1.96 -1.43 119.26 121.22 1jyj h ALA 18 Ca 0.27 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 1jyj h ALA 18 Cb 0.37 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1jyj h ALA 18 CO -0.33 -0.51 -0.08 0.00 0.00 0.00 0.00 179.25 178.32 1jyj h ARG 19 N -0.05 0.00 0.00 0.00 3.08 -1.92 -2.37 114.38 113.12 1jyj h ARG 19 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1jyj h ARG 19 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1jyj h ARG 19 CO -0.22 0.08 -0.32 0.34 -1.07 0.00 0.00 179.97 178.79 1jyj n PHE 20 N -3.47 0.14 -0.82 3.04 -0.00 -0.60 -4.81 117.46 110.95 1jyj n PHE 20 Ca -0.02 0.04 -0.31 0.00 -0.00 0.00 0.00 57.45 57.17 1jyj n PHE 20 Cb 0.23 -0.44 0.15 0.00 -0.00 0.00 0.00 39.48 39.42 1jyj n PHE 20 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1jyj s SER 21 N -3.28 3.18 0.00 -2.13 1.04 -0.85 -4.77 113.70 106.90 1jyj s SER 21 Ca 0.11 2.07 0.00 0.00 0.48 0.00 0.00 55.95 58.61 1jyj s SER 21 Cb 0.17 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.75 1jyj s SER 21 CO 0.64 -2.92 0.00 0.61 0.98 0.00 0.00 173.24 172.55 1jyj n GLY 22 N -0.11 -0.80 3.74 7.32 0.00 0.11 -4.87 105.19 110.59 1jyj n GLY 22 Ca 0.11 -2.16 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 1jyj n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jyj s THR 23 N 0.00 4.95 -0.07 2.61 2.01 -1.26 -0.31 115.64 123.56 1jyj s THR 23 Ca 0.00 1.34 0.01 0.00 0.31 0.00 0.00 61.69 63.36 1jyj s THR 23 Cb 0.00 -3.98 0.02 0.00 0.01 0.00 0.00 72.50 68.54 1jyj s THR 23 CO 0.00 0.35 -0.09 0.26 -0.69 0.00 0.00 174.62 174.45 1jyj s TRP 24 N 0.21 1.30 -0.21 4.92 0.52 0.56 -4.66 118.94 121.58 1jyj s TRP 24 Ca 0.34 -0.52 -0.12 0.00 0.02 0.00 0.00 56.10 55.82 1jyj s TRP 24 Cb -0.18 -1.03 -0.05 0.00 -1.15 0.00 0.00 33.47 31.07 1jyj s TRP 24 CO 0.18 -0.32 0.24 0.71 0.02 0.00 0.00 176.95 177.77 1jyj s TYR 25 N 1.02 3.37 -0.19 -1.98 2.02 0.60 -0.77 117.35 121.42 1jyj s TYR 25 Ca -0.08 0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.73 1jyj s TYR 25 Cb -0.15 -2.33 -0.01 0.00 -0.40 0.00 0.00 41.96 39.08 1jyj s TYR 25 CO -0.00 0.11 1.22 0.00 -1.57 0.00 0.00 175.55 175.32 1jyj s ALA 26 N 0.90 3.64 -0.11 3.71 0.00 -0.52 0.17 121.76 129.55 1jyj s ALA 26 Ca 0.12 0.37 0.20 0.00 0.00 0.00 0.00 51.96 52.64 1jyj s ALA 26 Cb -0.13 -3.62 -0.26 0.00 0.00 0.00 0.00 23.12 19.10 1jyj s ALA 26 CO 0.04 -1.21 0.40 -1.33 0.00 0.00 0.00 175.76 173.65 1jyj n MET 27 N 6.63 0.66 -3.62 0.00 0.00 0.56 -4.58 117.12 116.78 1jyj n MET 27 Ca 0.14 -0.05 -0.15 0.00 0.00 0.00 0.00 57.70 57.64 1jyj n MET 27 Cb 0.45 -1.57 -0.06 0.00 0.00 0.00 0.00 33.22 32.03 1jyj n MET 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1jyj s ALA 28 N -3.04 -1.26 -0.05 3.04 0.00 -1.19 -0.24 121.76 119.01 1jyj s ALA 28 Ca -0.08 0.67 -0.09 0.00 0.00 0.00 0.00 51.96 52.46 1jyj s ALA 28 Cb 0.10 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.45 1jyj s ALA 28 CO 0.86 -0.41 0.22 0.21 0.00 0.00 0.00 175.76 176.64 1jyj s LYS 29 N -1.88 0.38 -0.25 0.00 2.20 -0.25 -0.87 119.74 119.08 1jyj s LYS 29 Ca -0.09 0.07 -0.06 0.00 -0.36 0.00 0.00 55.97 55.53 1jyj s LYS 29 Cb -0.02 0.17 -0.02 0.00 -1.51 0.00 0.00 37.83 36.46 1jyj s LYS 29 CO 0.02 -0.07 0.04 0.21 -0.36 0.00 0.00 175.35 175.19 1jyj s LYS 30 N -0.46 3.53 0.34 4.03 2.36 0.36 -1.00 119.74 128.90 1jyj s LYS 30 Ca -0.06 -0.55 -0.23 0.00 -2.55 0.00 0.00 55.97 52.58 1jyj s LYS 30 Cb -0.04 -3.24 -0.10 0.00 -1.05 0.00 0.00 37.83 33.40 1jyj s LYS 30 CO 0.01 -0.21 0.91 -0.51 1.55 0.00 0.00 175.35 177.10 1jyj s ASP 31 N 1.57 7.18 0.66 1.43 1.11 -1.26 -1.57 116.67 125.78 1jyj s ASP 31 Ca 0.06 1.72 0.05 0.00 0.18 0.00 0.00 52.55 54.56 1jyj s ASP 31 Cb -0.15 -2.54 0.12 0.00 1.07 0.00 0.00 42.92 41.42 1jyj s ASP 31 CO 0.02 -0.14 0.91 -2.16 1.18 0.00 0.00 175.17 174.98 1jyj s PRO 32 N -2.38 1.93 0.45 8.23 0.04 -1.16 -4.69 135.00 137.42 1jyj s PRO 32 Ca 0.53 -1.47 -0.25 0.00 0.04 0.00 0.00 61.00 59.85 1jyj s PRO 32 Cb -0.15 -2.49 -0.08 0.00 0.04 0.00 0.00 34.50 31.81 1jyj s PRO 32 CO 0.20 -1.21 1.39 -1.21 0.04 0.00 0.00 177.00 176.22 1jyj s GLU 33 N -4.92 3.70 -1.12 4.56 2.02 -1.26 -3.09 118.70 118.59 1jyj s GLU 33 Ca 0.65 2.34 -0.13 0.00 0.02 0.00 0.00 54.97 57.85 1jyj s GLU 33 Cb -0.05 -2.64 -0.03 0.00 0.10 0.00 0.00 34.13 31.51 1jyj s GLU 33 CO 0.42 -0.78 0.84 0.41 0.02 0.00 0.00 175.26 176.17 1jyj n GLY 34 N 0.61 -0.99 3.68 -1.39 0.00 -1.26 -4.89 105.19 100.95 1jyj n GLY 34 Ca 0.05 0.47 -0.40 0.00 0.00 0.00 0.00 46.02 46.15 1jyj n GLY 34 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1jyj n LEU 35 N -3.83 4.07 -0.01 0.99 -0.00 -1.18 -4.97 117.00 112.07 1jyj n LEU 35 Ca -0.10 1.03 -0.03 0.00 -0.00 0.00 0.00 56.01 56.91 1jyj n LEU 35 Cb 0.61 -1.48 -0.01 0.00 -0.00 0.00 0.00 43.42 42.54 1jyj n LEU 35 CO 0.64 -0.93 -0.19 0.33 -0.00 0.00 0.00 177.39 177.24 1jyj n PHE 36 N -0.63 0.00 -2.25 1.47 -0.00 -1.26 -4.71 117.46 110.07 1jyj n PHE 36 Ca 0.09 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.11 1jyj n PHE 36 Cb 0.42 -0.14 -0.02 0.00 -0.00 0.00 0.00 39.48 39.73 1jyj n PHE 36 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1jyj s LEU 37 N -6.50 4.25 -0.13 -2.13 1.43 -1.26 -0.57 118.68 113.77 1jyj s LEU 37 Ca -0.08 1.94 -0.08 0.00 -1.03 0.00 0.00 54.13 54.88 1jyj s LEU 37 Cb 0.01 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.66 1jyj s LEU 37 CO 0.12 -0.80 -0.16 1.67 0.23 0.00 0.00 176.35 177.40 1jyj n GLN 38 N 6.54 0.40 -2.13 1.70 -0.06 0.18 -4.93 117.38 119.09 1jyj n GLN 38 Ca 0.15 0.48 -0.03 0.00 -2.00 0.00 0.00 57.00 55.60 1jyj n GLN 38 Cb 0.44 -1.57 0.01 0.00 -4.06 0.00 0.00 30.24 25.06 1jyj n GLN 38 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 1jyj n ASP 39 N -4.34 -0.90 -3.11 1.69 5.68 -1.07 -4.93 116.55 109.57 1jyj n ASP 39 Ca -0.07 -1.61 -0.22 0.00 -0.50 0.00 0.00 54.79 52.39 1jyj n ASP 39 Cb 0.25 1.49 0.02 0.00 -1.14 0.00 0.00 41.12 41.73 1jyj n ASP 39 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1jyj n ASN 40 N -1.18 -4.99 -4.64 -1.12 3.02 -0.26 -0.71 115.26 105.38 1jyj n ASN 40 Ca -0.03 -0.29 -0.42 0.00 -0.03 0.00 0.00 54.58 53.80 1jyj n ASN 40 Cb 0.24 -4.07 -0.03 0.00 -0.61 0.00 0.00 39.78 35.30 1jyj n ASN 40 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jyj s ILE 41 N -3.04 4.70 -0.09 2.41 1.01 -1.26 -3.88 121.20 121.05 1jyj s ILE 41 Ca 0.32 1.61 0.01 0.00 0.00 0.00 0.00 60.65 62.59 1jyj s ILE 41 Cb -0.15 -4.25 0.02 0.00 0.01 0.00 0.00 42.46 38.08 1jyj s ILE 41 CO 0.39 -0.26 -0.11 -0.69 0.00 0.00 0.00 174.94 174.27 1jyj s VAL 42 N 3.18 1.19 0.02 2.92 1.01 -0.43 -1.44 120.40 126.85 1jyj s VAL 42 Ca 0.39 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.96 1jyj s VAL 42 Cb -0.14 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1jyj s VAL 42 CO 0.11 0.38 -0.11 0.00 0.00 0.00 0.00 175.10 175.48 1jyj s ALA 43 N 1.11 2.85 -0.22 5.51 0.00 0.05 -1.60 121.76 129.48 1jyj s ALA 43 Ca -0.06 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.83 1jyj s ALA 43 Cb -0.14 -0.98 0.05 0.00 0.00 0.00 0.00 23.12 22.04 1jyj s ALA 43 CO -0.02 0.60 -0.11 -2.00 0.00 0.00 0.00 175.76 174.22 1jyj s GLU 44 N -1.42 2.18 -0.04 0.00 2.56 0.30 -0.32 118.70 121.95 1jyj s GLU 44 Ca 0.16 -0.99 -0.06 0.00 0.00 0.00 0.00 54.97 54.09 1jyj s GLU 44 Cb -0.11 -2.57 -0.04 0.00 2.00 0.00 0.00 34.13 33.40 1jyj s GLU 44 CO 0.07 -0.45 0.21 -0.06 -0.56 0.00 0.00 175.26 174.47 1jyj s PHE 45 N 1.30 3.58 0.16 5.30 0.08 0.57 -1.54 117.98 127.43 1jyj s PHE 45 Ca -0.03 0.51 -0.03 0.00 0.12 0.00 0.00 56.93 57.51 1jyj s PHE 45 Cb -0.17 -1.94 -0.03 0.00 -0.57 0.00 0.00 43.02 40.31 1jyj s PHE 45 CO -0.08 0.66 0.13 -1.12 -0.10 0.00 0.00 175.22 174.71 1jyj s SER 46 N -1.53 0.21 -0.06 1.36 0.01 -0.12 0.06 113.70 113.63 1jyj s SER 46 Ca 0.23 -1.19 -0.04 0.00 1.31 0.00 0.00 55.95 56.27 1jyj s SER 46 Cb -0.13 0.35 0.02 0.00 0.21 0.00 0.00 66.02 66.48 1jyj s SER 46 CO 0.13 -0.80 0.15 0.54 0.41 0.00 0.00 173.24 173.67 1jyj s VAL 47 N -4.06 -0.02 0.61 3.43 0.11 -1.26 -1.03 120.40 118.18 1jyj s VAL 47 Ca 0.26 0.07 0.05 0.00 -2.93 0.00 0.00 61.98 59.44 1jyj s VAL 47 Cb 0.06 -0.23 0.09 0.00 -1.53 0.00 0.00 36.38 34.78 1jyj s VAL 47 CO 0.04 0.03 0.85 1.51 -3.33 0.00 0.00 175.10 174.20 1jyj s ASP 48 N 0.53 4.88 0.55 3.54 3.84 -0.49 -4.94 116.67 124.59 1jyj s ASP 48 Ca -0.04 -0.59 0.25 0.00 -0.00 0.00 0.00 52.55 52.17 1jyj s ASP 48 Cb -0.05 0.04 1.47 0.00 -1.38 0.00 0.00 42.92 43.00 1jyj s ASP 48 CO -0.02 -1.47 2.06 -0.33 -0.00 0.00 0.00 175.17 175.41 1jyj h GLU 49 N -0.05 0.00 0.00 2.11 4.39 -2.02 0.24 114.58 119.25 1jyj h GLU 49 Ca -0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1jyj h GLU 49 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1jyj h GLU 49 CO 0.41 0.00 0.00 0.25 -1.16 0.00 0.00 179.01 178.51 1jyj n THR 50 N -4.17 0.18 -0.45 1.13 -2.24 -1.26 -4.87 114.28 102.60 1jyj n THR 50 Ca 0.04 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1jyj n THR 50 Cb 0.40 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 1jyj n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jyj n GLY 51 N 1.01 0.74 3.71 3.38 0.00 0.85 -5.04 105.19 109.84 1jyj n GLY 51 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1jyj n GLY 51 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jyj s GLN 52 N -0.55 4.57 0.13 1.61 0.74 -1.26 -4.76 119.66 120.15 1jyj s GLN 52 Ca 0.00 1.48 -0.13 0.00 0.05 0.00 0.00 55.36 56.76 1jyj s GLN 52 Cb 0.00 -3.42 -0.07 0.00 1.10 0.00 0.00 33.01 30.62 1jyj s GLN 52 CO 0.00 -0.03 0.51 1.41 -0.55 0.00 0.00 175.29 176.64 1jyj s MET 53 N 0.79 3.93 0.20 1.67 -2.45 -1.26 -1.39 119.30 120.78 1jyj s MET 53 Ca 0.52 0.42 -0.09 0.00 -1.25 0.00 0.00 55.69 55.29 1jyj s MET 53 Cb -0.23 -2.95 -0.01 0.00 1.25 0.00 0.00 34.83 32.89 1jyj s MET 53 CO 0.29 0.50 0.33 -1.54 1.05 0.00 0.00 175.02 175.64 1jyj s SER 54 N -1.73 0.01 0.15 1.11 1.04 -0.20 -1.35 113.70 112.73 1jyj s SER 54 Ca 0.37 -0.98 -0.17 0.00 0.48 0.00 0.00 55.95 55.64 1jyj s SER 54 Cb -0.15 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.49 1jyj s SER 54 CO 0.19 -0.98 0.46 0.00 0.98 0.00 0.00 173.24 173.89 1jyj s ALA 55 N -4.02 -0.98 0.13 5.32 0.00 0.11 -0.94 121.76 121.38 1jyj s ALA 55 Ca 0.23 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 52.17 1jyj s ALA 55 Cb 0.02 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 1jyj s ALA 55 CO 0.05 -0.71 -0.10 0.95 0.00 0.00 0.00 175.76 175.96 1jyj s THR 56 N -3.82 1.12 0.02 0.00 -4.23 -0.59 0.10 115.64 108.23 1jyj s THR 56 Ca 0.05 -1.96 -0.17 0.00 -1.18 0.00 0.00 61.69 58.43 1jyj s THR 56 Cb 0.01 -1.73 0.03 0.00 1.34 0.00 0.00 72.50 72.15 1jyj s THR 56 CO -0.09 -0.70 0.37 0.00 -0.54 0.00 0.00 174.62 173.67 1jyj s ALA 57 N -3.10 -0.92 0.02 3.99 0.00 -0.68 -0.54 121.76 120.53 1jyj s ALA 57 Ca 0.14 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.44 1jyj s ALA 57 Cb 0.01 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 1jyj s ALA 57 CO 0.00 -0.37 -0.04 -1.59 0.00 0.00 0.00 175.76 173.76 1jyj s LYS 58 N -1.99 0.33 0.00 0.00 -2.85 -0.62 0.19 119.74 114.80 1jyj s LYS 58 Ca -0.09 -0.44 0.00 0.00 -1.00 0.00 0.00 55.97 54.45 1jyj s LYS 58 Cb -0.02 -0.13 0.00 0.00 -2.06 0.00 0.00 37.83 35.61 1jyj s LYS 58 CO 0.01 0.02 0.00 0.41 0.10 0.00 0.00 175.35 175.89 1jyj n GLY 59 N 2.15 -0.16 3.70 0.59 0.00 -1.05 -1.31 105.19 109.11 1jyj n GLY 59 Ca -0.19 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 1jyj n GLY 59 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jyj s ARG 60 N -2.00 4.43 0.19 1.61 0.52 0.11 -1.40 118.95 122.42 1jyj s ARG 60 Ca 0.00 1.63 0.11 0.00 -0.52 0.00 0.00 55.73 56.94 1jyj s ARG 60 Cb 0.00 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 1jyj s ARG 60 CO 0.00 -0.28 -0.22 0.14 0.02 0.00 0.00 175.30 174.96 1jyj s VAL 61 N 1.54 2.19 -0.90 3.52 -7.23 0.74 0.51 120.40 120.76 1jyj s VAL 61 Ca 0.55 -2.02 -0.22 0.00 -1.81 0.00 0.00 61.98 58.49 1jyj s VAL 61 Cb -0.25 -2.04 0.08 0.00 0.56 0.00 0.00 36.38 34.72 1jyj s VAL 61 CO 0.25 -0.19 1.26 -0.13 -0.31 0.00 0.00 175.10 175.98 1jyj s ARG 62 N -2.75 3.47 0.03 4.82 0.52 0.26 -1.36 118.95 123.94 1jyj s ARG 62 Ca 0.20 -1.17 -0.23 0.00 -0.52 0.00 0.00 55.73 54.00 1jyj s ARG 62 Cb -0.07 -4.91 -0.13 0.00 0.52 0.00 0.00 34.95 30.36 1jyj s ARG 62 CO 0.09 -2.01 1.20 1.25 0.02 0.00 0.00 175.30 175.85 1jyj h LEU 63 N 11.87 -0.72 -8.91 2.53 5.85 -0.65 -3.47 115.31 121.82 1jyj h LEU 63 Ca 0.06 0.02 -0.36 0.00 0.84 0.00 0.00 57.88 58.44 1jyj h LEU 63 Cb 1.03 0.19 -0.14 0.00 0.37 0.00 0.00 40.66 42.10 1jyj h LEU 63 CO 1.27 -0.46 -0.62 -0.22 -0.34 0.00 0.00 178.44 178.08 1jyj s LEU 64 N -8.20 1.71 -0.39 2.25 2.96 -0.14 -4.99 118.68 111.88 1jyj s LEU 64 Ca -0.12 -1.37 -0.40 0.00 -0.22 0.00 0.00 54.13 52.02 1jyj s LEU 64 Cb 0.01 -0.02 -0.15 0.00 0.50 0.00 0.00 46.19 46.53 1jyj s LEU 64 CO 0.37 -0.71 2.04 -0.46 -1.32 0.00 0.00 176.35 176.27 1jyj n ASN 65 N -0.48 1.71 -0.51 3.68 2.04 -1.26 0.16 115.26 120.61 1jyj n ASN 65 Ca -0.00 0.69 -0.07 0.00 -0.44 0.00 0.00 54.58 54.76 1jyj n ASN 65 Cb 0.66 -1.10 -0.03 0.00 -2.53 0.00 0.00 39.78 36.78 1jyj n ASN 65 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1jyj n ASN 66 N 7.78 -4.95 -4.09 0.53 2.85 -1.26 -4.96 115.26 111.16 1jyj n ASN 66 Ca 0.42 0.16 -0.33 0.00 -0.11 0.00 0.00 54.58 54.72 1jyj n ASN 66 Cb 0.11 -3.03 -0.15 0.00 1.24 0.00 0.00 39.78 37.95 1jyj n ASN 66 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1jyj s LEU 67 N -1.51 3.80 0.17 1.20 1.98 0.43 -5.08 118.68 119.66 1jyj s LEU 67 Ca 0.00 -1.48 0.08 0.00 -2.89 0.00 0.00 54.13 49.83 1jyj s LEU 67 Cb 0.00 -1.61 -0.04 0.00 0.66 0.00 0.00 46.19 45.20 1jyj s LEU 67 CO 0.00 -0.25 -0.05 -1.81 -1.89 0.00 0.00 176.35 172.36 1jyj s ASP 68 N 1.14 4.55 0.03 3.68 -0.00 -1.26 0.12 116.67 124.93 1jyj s ASP 68 Ca -0.05 -0.45 -0.15 0.00 -0.00 0.00 0.00 52.55 51.90 1jyj s ASP 68 Cb -0.20 -0.90 0.02 0.00 -0.00 0.00 0.00 42.92 41.85 1jyj s ASP 68 CO -0.04 0.11 0.32 0.68 -0.00 0.00 0.00 175.17 176.23 1jyj s VAL 69 N -1.65 0.07 0.14 -1.27 -7.23 -0.46 -4.85 120.40 105.15 1jyj s VAL 69 Ca 0.26 -0.60 -0.29 0.00 -1.81 0.00 0.00 61.98 59.53 1jyj s VAL 69 Cb -0.09 -0.85 -0.07 0.00 0.56 0.00 0.00 36.38 35.93 1jyj s VAL 69 CO 0.17 -0.33 0.93 0.00 -0.31 0.00 0.00 175.10 175.56 1jyj s ALA 71 N -0.36 -0.11 -0.17 0.00 0.00 -0.49 -4.92 121.76 115.71 1jyj s ALA 71 Ca 0.44 -0.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.73 1jyj s ALA 71 Cb -0.24 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1jyj s ALA 71 CO 0.30 -0.42 -0.02 -0.51 0.00 0.00 0.00 175.76 175.10 1jyj s ASP 72 N -2.59 4.85 0.30 0.00 1.01 -1.26 -2.53 116.67 116.44 1jyj s ASP 72 Ca 0.02 -0.14 0.10 0.00 0.71 0.00 0.00 52.55 53.24 1jyj s ASP 72 Cb 0.03 -1.80 -0.05 0.00 1.01 0.00 0.00 42.92 42.11 1jyj s ASP 72 CO -0.08 0.14 -0.03 -0.04 0.21 0.00 0.00 175.17 175.36 1jyj s MET 73 N 0.54 2.10 -0.01 8.23 -1.94 0.13 -1.52 119.30 126.82 1jyj s MET 73 Ca -0.02 -1.60 0.01 0.00 -1.71 0.00 0.00 55.69 52.37 1jyj s MET 73 Cb -0.14 -2.01 0.00 0.00 2.01 0.00 0.00 34.83 34.70 1jyj s MET 73 CO 0.02 0.27 -0.04 0.08 -0.01 0.00 0.00 175.02 175.35 1jyj s VAL 74 N -2.43 0.35 0.01 -6.03 1.01 0.58 -1.69 120.40 112.20 1jyj s VAL 74 Ca 0.32 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.19 1jyj s VAL 74 Cb -0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 1jyj s VAL 74 CO 0.19 0.12 -0.08 -0.83 0.00 0.00 0.00 175.10 174.50 1jyj s GLY 75 N 0.20 0.42 -0.06 4.51 0.00 0.28 -1.89 107.32 110.78 1jyj s GLY 75 Ca -0.02 -0.46 0.02 0.00 0.00 0.00 0.00 44.72 44.25 1jyj s GLY 75 CO -0.00 -0.44 -0.10 -1.59 0.00 0.00 0.00 173.10 170.96 1jyj s THR 76 N -0.54 0.97 -0.12 0.90 2.01 -0.54 0.09 115.64 118.40 1jyj s THR 76 Ca -0.01 -0.37 -0.05 0.00 0.31 0.00 0.00 61.69 61.58 1jyj s THR 76 Cb -0.05 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 1jyj s THR 76 CO 0.00 0.32 0.06 -0.36 -0.69 0.00 0.00 174.62 173.95 1jyj s PHE 77 N 0.83 3.31 -0.15 4.92 0.40 -0.46 -1.32 117.98 125.51 1jyj s PHE 77 Ca -0.12 0.26 -0.03 0.00 -0.60 0.00 0.00 56.93 56.44 1jyj s PHE 77 Cb -0.15 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.45 1jyj s PHE 77 CO 0.02 0.47 -0.07 0.99 0.70 0.00 0.00 175.22 177.33 1jyj s THR 78 N -0.61 3.59 0.84 0.64 2.01 0.22 -4.33 115.64 118.01 1jyj s THR 78 Ca 0.11 -0.46 -0.10 0.00 0.31 0.00 0.00 61.69 61.54 1jyj s THR 78 Cb -0.12 -2.56 0.10 0.00 0.01 0.00 0.00 72.50 69.93 1jyj s THR 78 CO 0.02 0.50 1.11 -1.81 -0.69 0.00 0.00 174.62 173.75 1jyj s ASP 79 N 0.46 3.75 0.40 3.53 -0.00 -1.26 -1.48 116.67 122.07 1jyj s ASP 79 Ca -0.05 1.92 0.05 0.00 -0.00 0.00 0.00 52.55 54.47 1jyj s ASP 79 Cb -0.15 -2.50 -0.02 0.00 -0.00 0.00 0.00 42.92 40.25 1jyj s ASP 79 CO 0.03 -2.53 0.19 0.42 -0.00 0.00 0.00 175.17 173.29 1jyj s THR 80 N -2.80 0.34 0.53 -1.27 -4.23 -1.20 -4.82 115.64 102.18 1jyj s THR 80 Ca 0.63 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.36 1jyj s THR 80 Cb -0.19 -2.34 0.34 0.00 1.34 0.00 0.00 72.50 71.64 1jyj s THR 80 CO 0.57 0.00 2.08 -0.33 -0.54 0.00 0.00 174.62 176.40 1jyj h GLU 81 N 1.84 0.00 -5.37 3.99 5.08 -1.98 -3.38 114.58 114.75 1jyj h GLU 81 Ca -0.31 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.44 1jyj h GLU 81 Cb 1.26 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.39 1jyj h GLU 81 CO 0.48 0.00 -0.11 0.34 -1.00 0.00 0.00 179.01 178.72 1jyj s ASP 82 N -6.57 6.43 0.59 1.42 3.68 -1.26 -4.96 116.67 115.99 1jyj s ASP 82 Ca -0.05 0.51 0.39 0.00 2.13 0.00 0.00 52.55 55.53 1jyj s ASP 82 Cb 0.18 -2.26 2.13 0.00 -1.45 0.00 0.00 42.92 41.52 1jyj s ASP 82 CO 0.68 -0.19 2.20 1.55 0.13 0.00 0.00 175.17 179.54 1jyj h PRO 83 N 7.76 0.00 -0.02 4.34 0.13 -1.91 -1.90 132.00 140.40 1jyj h PRO 83 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1jyj h PRO 83 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1jyj h PRO 83 CO 0.71 0.00 -0.44 0.00 -0.23 0.00 0.00 178.00 178.04 1jyj n ALA 84 N -2.00 3.45 -3.10 -0.56 0.00 -1.26 -4.61 120.51 112.43 1jyj n ALA 84 Ca -0.03 -0.62 -0.34 0.00 0.00 0.00 0.00 53.44 52.45 1jyj n ALA 84 Cb 0.07 -0.74 -0.13 0.00 0.00 0.00 0.00 19.45 18.65 1jyj n ALA 84 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1jyj s LYS 85 N -2.34 3.56 0.28 0.00 1.02 -0.72 -0.84 119.74 120.70 1jyj s LYS 85 Ca 0.18 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.64 1jyj s LYS 85 Cb 0.17 -2.92 -0.06 0.00 -0.52 0.00 0.00 37.83 34.50 1jyj s LYS 85 CO 0.53 0.11 0.03 -0.06 -0.92 0.00 0.00 175.35 175.04 1jyj s PHE 86 N 0.70 1.74 -0.19 3.18 0.08 0.07 -3.28 117.98 120.29 1jyj s PHE 86 Ca -0.02 -0.97 -0.03 0.00 0.12 0.00 0.00 56.93 56.03 1jyj s PHE 86 Cb -0.15 -1.06 -0.01 0.00 -0.57 0.00 0.00 43.02 41.23 1jyj s PHE 86 CO 0.02 -0.05 -0.07 0.15 -0.10 0.00 0.00 175.22 175.17 1jyj s LYS 87 N -3.90 3.41 -0.30 0.44 -0.14 -0.55 -0.48 119.74 118.22 1jyj s LYS 87 Ca 0.33 -0.63 -0.05 0.00 -1.36 0.00 0.00 55.97 54.27 1jyj s LYS 87 Cb 0.07 -2.89 0.03 0.00 -1.68 0.00 0.00 37.83 33.37 1jyj s LYS 87 CO 0.12 -0.03 0.05 1.41 -0.76 0.00 0.00 175.35 176.14 1jyj s MET 88 N 1.03 2.73 -0.24 1.68 -2.45 0.15 -0.61 119.30 121.59 1jyj s MET 88 Ca 0.00 -1.08 -0.21 0.00 -1.25 0.00 0.00 55.69 53.15 1jyj s MET 88 Cb -0.15 -3.30 -0.02 0.00 1.25 0.00 0.00 34.83 32.62 1jyj s MET 88 CO -0.00 -0.56 0.66 0.21 1.05 0.00 0.00 175.02 176.38 1jyj s LYS 89 N 1.38 4.15 0.15 4.11 2.20 -0.44 -1.24 119.74 130.05 1jyj s LYS 89 Ca -0.01 0.63 0.05 0.00 -0.36 0.00 0.00 55.97 56.27 1jyj s LYS 89 Cb -0.18 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.46 1jyj s LYS 89 CO 0.01 -0.38 -0.11 1.52 -0.36 0.00 0.00 175.35 176.03 1jyj s TYR 90 N 2.38 1.31 0.03 4.03 -0.85 0.28 -1.47 117.35 123.05 1jyj s TYR 90 Ca 0.28 -0.71 -0.28 0.00 -0.52 0.00 0.00 57.07 55.84 1jyj s TYR 90 Cb -0.16 -0.66 0.09 0.00 0.38 0.00 0.00 41.96 41.62 1jyj s TYR 90 CO 0.09 0.11 0.99 -3.38 -1.52 0.00 0.00 175.55 171.84 1jyj s HIS 91 N -3.11 -0.21 0.37 -3.49 -3.43 -0.79 -1.12 115.29 103.50 1jyj s HIS 91 Ca 0.16 0.03 0.04 0.00 -0.80 0.00 0.00 55.06 54.49 1jyj s HIS 91 Cb 0.01 0.57 -0.01 0.00 -1.43 0.00 0.00 32.58 31.72 1jyj s HIS 91 CO 0.01 -0.58 0.54 0.20 -2.00 0.00 0.00 174.74 172.91 1jyj s GLY 92 N -2.66 1.54 0.57 -1.38 0.00 -1.24 -0.31 107.32 103.84 1jyj s GLY 92 Ca 0.09 -1.27 0.35 0.00 0.00 0.00 0.00 44.72 43.89 1jyj s GLY 92 CO -0.04 -1.17 2.10 -0.39 0.00 0.00 0.00 173.10 173.60 1jyj h VAL 93 N 0.73 0.14 -3.78 1.40 -1.51 -1.62 -3.38 116.25 108.24 1jyj h VAL 93 Ca -0.47 -0.42 -0.63 0.00 -1.23 0.00 0.00 66.70 63.95 1jyj h VAL 93 Cb 1.25 1.36 -0.16 0.00 -2.13 0.00 0.00 31.29 31.62 1jyj h VAL 93 CO 0.55 0.04 -0.36 0.00 -1.23 0.00 0.00 177.57 176.57 1jyj s ALA 94 N -3.89 3.55 0.60 5.19 0.00 -1.26 -4.96 121.76 120.98 1jyj s ALA 94 Ca -0.01 -0.93 0.29 0.00 0.00 0.00 0.00 51.96 51.31 1jyj s ALA 94 Cb 0.11 -2.60 1.58 0.00 0.00 0.00 0.00 23.12 22.22 1jyj s ALA 94 CO 0.52 -0.58 1.99 0.66 0.00 0.00 0.00 175.76 178.35 1jyj h SER 95 N 8.20 0.00 0.32 0.00 4.64 -2.01 -0.96 113.55 123.75 1jyj h SER 95 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1jyj h SER 95 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1jyj h SER 95 CO 0.61 0.00 -0.05 2.22 -0.87 0.00 0.00 176.83 178.73 1jyj n PHE 96 N -3.63 0.00 -2.33 4.77 1.16 -1.26 -4.86 117.46 111.31 1jyj n PHE 96 Ca 0.04 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.34 1jyj n PHE 96 Cb 0.48 -0.16 0.01 0.00 -1.61 0.00 0.00 39.48 38.21 1jyj n PHE 96 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1jyj s LEU 97 N -2.38 3.38 0.35 5.98 1.43 -0.37 -5.00 118.68 122.08 1jyj s LEU 97 Ca 0.33 1.01 -0.27 0.00 -1.03 0.00 0.00 54.13 54.17 1jyj s LEU 97 Cb 0.21 -3.95 -0.12 0.00 0.03 0.00 0.00 46.19 42.35 1jyj s LEU 97 CO 0.44 -0.82 1.15 1.67 0.23 0.00 0.00 176.35 179.02 1jyj n GLN 98 N -2.51 1.73 -3.85 1.70 7.27 -1.26 -4.53 117.38 115.92 1jyj n GLN 98 Ca 0.03 0.61 -0.09 0.00 0.07 0.00 0.00 57.00 57.62 1jyj n GLN 98 Cb 0.56 -2.14 -0.07 0.00 2.41 0.00 0.00 30.24 31.00 1jyj n GLN 98 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 1jyj s LYS 99 N -1.86 0.91 0.00 3.69 -2.85 -1.26 -3.65 119.74 114.73 1jyj s LYS 99 Ca 0.58 -0.97 0.00 0.00 -1.00 0.00 0.00 55.97 54.59 1jyj s LYS 99 Cb -0.59 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 35.53 1jyj s LYS 99 CO 0.60 -0.31 0.00 0.41 0.10 0.00 0.00 175.35 176.15 1jyj n GLY 100 N -0.10 -0.53 2.80 0.59 0.00 -0.28 -4.98 105.19 102.69 1jyj n GLY 100 Ca -0.14 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 44.84 1jyj n GLY 100 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jyj s ASN 101 N -4.00 1.08 0.17 1.61 3.04 -1.26 -0.56 114.94 115.03 1jyj s ASN 101 Ca 0.00 0.09 0.10 0.00 0.04 0.00 0.00 52.86 53.08 1jyj s ASN 101 Cb 0.00 0.28 -0.04 0.00 -1.54 0.00 0.00 41.25 39.95 1jyj s ASN 101 CO 0.00 -0.28 -0.20 -1.81 -3.04 0.00 0.00 177.10 171.77 1jyj s ASP 102 N 2.29 2.95 0.56 -4.21 1.01 -0.37 -4.90 116.67 114.00 1jyj s ASP 102 Ca 0.04 -0.85 -0.19 0.00 0.71 0.00 0.00 52.55 52.25 1jyj s ASP 102 Cb -0.14 -0.19 -0.05 0.00 1.01 0.00 0.00 42.92 43.55 1jyj s ASP 102 CO -0.08 0.03 1.18 -1.81 0.21 0.00 0.00 175.17 174.69 1jyj s ASP 103 N -2.63 5.49 -0.24 0.27 -0.00 -1.26 0.34 116.67 118.64 1jyj s ASP 103 Ca 0.17 2.30 -0.04 0.00 -0.00 0.00 0.00 52.55 54.98 1jyj s ASP 103 Cb -0.07 -2.59 0.09 0.00 -0.00 0.00 0.00 42.92 40.35 1jyj s ASP 103 CO 0.08 -1.39 0.13 -2.28 -0.00 0.00 0.00 175.17 171.71 1jyj s HIS 104 N -1.66 0.20 -0.10 4.23 2.46 0.37 -4.53 115.29 116.26 1jyj s HIS 104 Ca 0.74 -0.56 -0.02 0.00 0.47 0.00 0.00 55.06 55.69 1jyj s HIS 104 Cb -0.28 -0.77 -0.03 0.00 -0.13 0.00 0.00 32.58 31.37 1jyj s HIS 104 CO 0.31 -0.70 -0.02 -1.58 -2.47 0.00 0.00 174.74 170.28 1jyj s TRP 105 N 2.14 3.08 -0.72 3.88 0.52 0.08 -0.75 118.94 127.17 1jyj s TRP 105 Ca 0.06 0.03 -0.16 0.00 0.02 0.00 0.00 56.10 56.05 1jyj s TRP 105 Cb -0.16 -1.83 0.17 0.00 -1.15 0.00 0.00 33.47 30.50 1jyj s TRP 105 CO -0.24 0.30 0.72 0.42 0.02 0.00 0.00 176.95 178.16 1jyj s ILE 106 N -0.49 5.27 0.18 2.03 -1.09 -0.02 -1.04 121.20 126.04 1jyj s ILE 106 Ca 0.08 -1.85 -0.11 0.00 -2.23 0.00 0.00 60.65 56.53 1jyj s ILE 106 Cb -0.12 -4.47 0.09 0.00 -1.58 0.00 0.00 42.46 36.38 1jyj s ILE 106 CO 0.02 -1.05 1.76 0.58 -1.23 0.00 0.00 174.94 175.02 1jyj h VAL 107 N 5.40 1.22 -2.07 2.92 2.07 -1.22 -0.36 116.25 124.20 1jyj h VAL 107 Ca -0.07 -0.65 0.09 0.00 0.82 0.00 0.00 66.70 66.89 1jyj h VAL 107 Cb 1.06 0.47 -0.18 0.00 -1.52 0.00 0.00 31.29 31.13 1jyj h VAL 107 CO 0.93 0.26 0.49 -0.62 0.02 0.00 0.00 177.57 178.65 1jyj s ASP 108 N -6.07 -0.39 -0.23 0.57 3.68 -1.12 -1.93 116.67 111.17 1jyj s ASP 108 Ca -0.13 0.16 -0.33 0.00 2.13 0.00 0.00 52.55 54.38 1jyj s ASP 108 Cb 0.13 0.37 0.16 0.00 -1.45 0.00 0.00 42.92 42.14 1jyj s ASP 108 CO 0.79 -0.55 1.26 0.28 0.13 0.00 0.00 175.17 177.09 1jyj s THR 109 N -2.46 0.00 -0.20 1.71 -1.32 -1.26 0.24 115.64 112.35 1jyj s THR 109 Ca 0.02 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.61 1jyj s THR 109 Cb -0.01 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.20 1jyj s THR 109 CO -0.05 0.00 1.15 -0.90 -2.21 0.00 0.00 174.62 172.61 1jyj n ASP 110 N 0.21 2.52 0.00 8.08 5.75 -1.03 -5.00 116.55 127.08 1jyj n ASP 110 Ca -0.00 -2.52 0.00 0.00 -0.01 0.00 0.00 54.79 52.26 1jyj n ASP 110 Cb 0.58 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 1jyj n ASP 110 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 1jyj n TYR 111 N -0.68 0.00 0.15 2.11 4.01 -1.26 -4.37 117.16 117.12 1jyj n TYR 111 Ca 0.10 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.91 1jyj n TYR 111 Cb 0.50 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.65 1jyj n TYR 111 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1jyj n ASP 112 N 0.38 2.59 0.10 7.72 3.85 -1.26 -4.82 116.55 125.10 1jyj n ASP 112 Ca 0.00 -1.78 0.00 0.00 -0.71 0.00 0.00 54.79 52.30 1jyj n ASP 112 Cb 0.00 -0.14 0.00 0.00 -1.35 0.00 0.00 41.12 39.63 1jyj n ASP 112 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 1jyj n THR 113 N 0.69 0.09 -4.21 2.12 -1.04 -1.26 -4.74 114.28 105.93 1jyj n THR 113 Ca 0.11 0.03 -0.12 0.00 -2.04 0.00 0.00 64.05 62.02 1jyj n THR 113 Cb 0.39 -0.62 -0.10 0.00 -1.82 0.00 0.00 70.33 68.18 1jyj n THR 113 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1jyj s TYR 114 N -2.00 1.10 -0.15 -1.42 -0.85 -1.26 -1.75 117.35 111.02 1jyj s TYR 114 Ca 0.00 -0.93 -0.16 0.00 -0.52 0.00 0.00 57.07 55.46 1jyj s TYR 114 Cb 0.00 -0.61 0.04 0.00 0.38 0.00 0.00 41.96 41.77 1jyj s TYR 114 CO 0.00 -0.13 0.44 0.00 -1.52 0.00 0.00 175.55 174.34 1jyj s ALA 115 N -3.58 -1.10 -0.16 9.51 0.00 -0.76 -2.46 121.76 123.21 1jyj s ALA 115 Ca 0.18 1.19 0.01 0.00 0.00 0.00 0.00 51.96 53.33 1jyj s ALA 115 Cb 0.05 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.55 1jyj s ALA 115 CO -0.00 -0.22 -0.17 0.08 0.00 0.00 0.00 175.76 175.45 1jyj s VAL 116 N 0.07 1.79 0.14 0.00 1.01 0.14 -0.56 120.40 122.99 1jyj s VAL 116 Ca -0.01 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.24 1jyj s VAL 116 Cb -0.03 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1jyj s VAL 116 CO 0.01 0.49 0.05 -1.58 0.00 0.00 0.00 175.10 174.07 1jyj s GLN 117 N 1.40 2.63 -0.04 2.72 -0.44 -0.10 -0.71 119.66 125.12 1jyj s GLN 117 Ca 0.05 -0.93 -0.16 0.00 -2.50 0.00 0.00 55.36 51.82 1jyj s GLN 117 Cb -0.13 -2.52 0.03 0.00 -1.64 0.00 0.00 33.01 28.75 1jyj s GLN 117 CO -0.12 0.49 0.35 -0.47 0.50 0.00 0.00 175.29 176.05 1jyj s TYR 118 N -1.60 -0.26 -0.18 1.67 6.14 -0.21 -2.82 117.35 120.09 1jyj s TYR 118 Ca 0.28 0.46 -0.07 0.00 0.64 0.00 0.00 57.07 58.38 1jyj s TYR 118 Cb -0.10 0.13 0.08 0.00 0.42 0.00 0.00 41.96 42.48 1jyj s TYR 118 CO 0.20 -0.38 0.39 0.45 0.64 0.00 0.00 175.55 176.85 1jyj s SER 119 N -1.08 -0.24 -0.35 4.32 0.15 -0.54 -0.74 113.70 115.22 1jyj s SER 119 Ca -0.11 0.89 -0.10 0.00 0.70 0.00 0.00 55.95 57.34 1jyj s SER 119 Cb -0.04 1.07 0.02 0.00 -1.71 0.00 0.00 66.02 65.35 1jyj s SER 119 CO 0.04 -0.22 0.17 0.00 1.20 0.00 0.00 173.24 174.43 1jyj h ARG 121 N 8.36 0.01 -2.72 0.00 3.08 -1.26 -3.43 114.38 118.43 1jyj h ARG 121 Ca -0.27 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.63 1jyj h ARG 121 Cb 1.11 0.01 -0.27 0.00 0.08 0.00 0.00 29.97 30.90 1jyj h ARG 121 CO 0.64 0.90 -0.33 -1.17 -1.07 0.00 0.00 179.97 178.95 1jyj s LEU 122 N -6.99 0.05 0.36 3.04 2.96 -1.19 -4.99 118.68 111.91 1jyj s LEU 122 Ca 0.00 0.82 -0.12 0.00 -0.22 0.00 0.00 54.13 54.61 1jyj s LEU 122 Cb 0.11 1.24 -0.07 0.00 0.50 0.00 0.00 46.19 47.97 1jyj s LEU 122 CO 0.81 -0.18 0.74 -0.76 -1.32 0.00 0.00 176.35 175.63 1jyj s LEU 123 N 1.27 3.94 0.60 -0.68 1.02 -1.26 0.69 118.68 124.26 1jyj s LEU 123 Ca -0.09 1.16 -0.05 0.00 0.02 0.00 0.00 54.13 55.18 1jyj s LEU 123 Cb -0.08 -4.00 0.02 0.00 0.02 0.00 0.00 46.19 42.15 1jyj s LEU 123 CO -0.11 -0.30 0.89 0.20 0.02 0.00 0.00 176.35 177.05 1jyj s ASN 124 N -2.78 5.40 0.02 2.29 0.01 0.19 -4.49 114.94 115.58 1jyj s ASN 124 Ca 0.52 0.54 0.13 0.00 -0.71 0.00 0.00 52.86 53.34 1jyj s ASN 124 Cb -0.10 -1.47 0.56 0.00 0.41 0.00 0.00 41.25 40.66 1jyj s ASN 124 CO 0.25 -1.16 1.42 0.18 -1.51 0.00 0.00 177.10 176.28 1jyj n LEU 125 N -2.59 0.05 -1.09 0.60 4.77 -1.26 -2.16 117.00 115.31 1jyj n LEU 125 Ca 0.05 0.51 0.10 0.00 -0.03 0.00 0.00 56.01 56.64 1jyj n LEU 125 Cb 0.58 -0.51 0.26 0.00 -2.33 0.00 0.00 43.42 41.42 1jyj n LEU 125 CO 0.51 -0.31 0.72 -0.90 -1.33 0.00 0.00 177.39 176.08 1jyj n ASP 126 N -1.55 3.56 0.00 -1.43 5.75 -1.26 -4.96 116.55 116.65 1jyj n ASP 126 Ca 0.03 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.82 1jyj n ASP 126 Cb 0.15 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 1jyj n ASP 126 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jyj n GLY 127 N 1.26 3.27 3.76 6.12 0.00 -0.92 -4.89 105.19 113.79 1jyj n GLY 127 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1jyj n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jyj s THR 128 N -2.55 2.64 0.05 2.61 -4.23 -1.26 -1.35 115.64 111.55 1jyj s THR 128 Ca 0.00 0.21 -0.23 0.00 -1.18 0.00 0.00 61.69 60.49 1jyj s THR 128 Cb 0.00 -2.84 -0.06 0.00 1.34 0.00 0.00 72.50 70.95 1jyj s THR 128 CO 0.00 -0.27 0.68 0.00 -0.54 0.00 0.00 174.62 174.49 1jyj n ALA 130 N 2.50 1.61 -3.39 0.00 0.00 0.22 -4.68 120.51 116.77 1jyj n ALA 130 Ca -0.05 -0.78 -0.12 0.00 0.00 0.00 0.00 53.44 52.48 1jyj n ALA 130 Cb 0.50 -0.80 -0.09 0.00 0.00 0.00 0.00 19.45 19.06 1jyj n ALA 130 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jyj s ASP 131 N -5.93 0.72 0.26 0.00 3.68 -1.01 -4.98 116.67 109.42 1jyj s ASP 131 Ca -0.05 -0.06 0.03 0.00 2.13 0.00 0.00 52.55 54.60 1jyj s ASP 131 Cb 0.08 0.86 -0.06 0.00 -1.45 0.00 0.00 42.92 42.35 1jyj s ASP 131 CO 0.82 -0.32 0.02 -0.94 0.13 0.00 0.00 175.17 174.89 1jyj s SER 132 N 2.47 1.95 0.06 -0.34 1.04 -1.26 -0.64 113.70 116.98 1jyj s SER 132 Ca 0.11 -1.28 -0.13 0.00 0.48 0.00 0.00 55.95 55.12 1jyj s SER 132 Cb -0.15 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 65.98 1jyj s SER 132 CO -0.18 -0.56 0.29 -0.72 0.98 0.00 0.00 173.24 173.05 1jyj s TYR 133 N -3.40 -0.06 -0.17 5.02 -0.85 -0.61 -2.97 117.35 114.31 1jyj s TYR 133 Ca 0.32 -0.16 -0.19 0.00 -0.52 0.00 0.00 57.07 56.53 1jyj s TYR 133 Cb 0.07 0.08 0.05 0.00 0.38 0.00 0.00 41.96 42.53 1jyj s TYR 133 CO 0.11 -0.53 0.51 0.45 -1.52 0.00 0.00 175.55 174.58 1jyj s SER 134 N -2.30 -0.52 -0.03 -0.18 0.15 -0.61 -1.47 113.70 108.75 1jyj s SER 134 Ca -0.02 0.94 0.07 0.00 0.70 0.00 0.00 55.95 57.64 1jyj s SER 134 Cb 0.00 0.96 -0.02 0.00 -1.71 0.00 0.00 66.02 65.26 1jyj s SER 134 CO -0.06 -0.23 -0.25 -0.36 1.20 0.00 0.00 173.24 173.54 1jyj s PHE 135 N 0.04 2.37 -0.21 3.44 0.08 -1.13 -0.49 117.98 122.09 1jyj s PHE 135 Ca -0.02 -0.48 -0.04 0.00 0.12 0.00 0.00 56.93 56.50 1jyj s PHE 135 Cb -0.03 -1.53 -0.02 0.00 -0.57 0.00 0.00 43.02 40.87 1jyj s PHE 135 CO 0.02 -0.06 -0.02 0.08 -0.10 0.00 0.00 175.22 175.13 1jyj s VAL 136 N -0.52 3.67 0.16 -0.44 1.01 -0.05 -0.92 120.40 123.31 1jyj s VAL 136 Ca 0.07 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.72 1jyj s VAL 136 Cb -0.11 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1jyj s VAL 136 CO 0.00 0.42 0.01 -0.36 0.00 0.00 0.00 175.10 175.17 1jyj s PHE 137 N 1.26 2.90 0.00 5.22 0.08 0.28 -0.32 117.98 127.40 1jyj s PHE 137 Ca 0.03 -0.11 0.02 0.00 0.12 0.00 0.00 56.93 57.00 1jyj s PHE 137 Cb -0.14 -1.42 -0.01 0.00 -0.57 0.00 0.00 43.02 40.88 1jyj s PHE 137 CO -0.00 0.51 -0.07 0.45 -0.10 0.00 0.00 175.22 176.01 1jyj s SER 138 N -2.86 0.79 0.37 1.36 0.15 0.13 -1.83 113.70 111.81 1jyj s SER 138 Ca 0.27 -0.18 0.18 0.00 0.70 0.00 0.00 55.95 56.92 1jyj s SER 138 Cb -0.10 -0.07 0.68 0.00 -1.71 0.00 0.00 66.02 64.83 1jyj s SER 138 CO 0.19 0.04 1.74 0.03 1.20 0.00 0.00 173.24 176.44 1jyj h ARG 139 N 5.75 0.00 -4.91 5.44 2.47 -1.61 0.17 114.38 121.70 1jyj h ARG 139 Ca -0.30 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 57.77 1jyj h ARG 139 Cb 1.19 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 29.29 1jyj h ARG 139 CO 0.49 0.39 -0.60 0.34 0.56 0.00 0.00 179.97 181.15 1jyj s ASP 140 N -6.52 5.33 0.06 7.04 -1.08 -1.26 -4.75 116.67 115.50 1jyj s ASP 140 Ca -0.00 -0.26 0.07 0.00 -0.52 0.00 0.00 52.55 51.84 1jyj s ASP 140 Cb 0.12 -1.96 0.34 0.00 -1.46 0.00 0.00 42.92 39.96 1jyj s ASP 140 CO 0.69 -0.07 1.22 -0.81 0.52 0.00 0.00 175.17 176.72 1jyj n PRO 141 N 4.95 0.03 0.00 4.34 -0.04 -1.26 -1.60 135.00 141.42 1jyj n PRO 141 Ca -0.15 0.48 0.14 0.00 -0.04 0.00 0.00 63.50 63.92 1jyj n PRO 141 Cb 0.51 -1.59 0.59 0.00 -0.04 0.00 0.00 33.50 32.96 1jyj n PRO 141 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jyj n ASN 142 N -1.66 0.48 0.00 3.54 3.02 -1.26 -4.93 115.26 114.45 1jyj n ASN 142 Ca 0.00 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 54.02 1jyj n ASN 142 Cb 0.05 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 1jyj n ASN 142 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jyj n GLY 143 N 1.30 2.61 3.89 7.41 0.00 -0.63 -5.08 105.19 114.69 1jyj n GLY 143 Ca 0.14 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 1jyj n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jyj s LEU 144 N 0.00 3.88 0.74 0.99 1.43 -1.26 -4.68 118.68 119.78 1jyj s LEU 144 Ca 0.00 0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 53.95 1jyj s LEU 144 Cb 0.00 -3.83 0.04 0.00 0.03 0.00 0.00 46.19 42.42 1jyj s LEU 144 CO 0.00 -0.36 1.08 -2.84 0.23 0.00 0.00 176.35 174.46 1jyj s PRO 145 N -3.89 2.52 0.24 1.29 0.02 -1.26 -4.73 135.00 129.19 1jyj s PRO 145 Ca 0.48 0.92 -0.05 0.00 0.02 0.00 0.00 61.00 62.37 1jyj s PRO 145 Cb -0.10 -1.95 0.44 0.00 0.02 0.00 0.00 34.50 32.91 1jyj s PRO 145 CO 0.33 -1.39 1.74 -1.35 -0.33 0.00 0.00 177.00 176.00 1jyj h PRO 146 N -0.93 0.45 -0.72 5.54 0.11 -1.98 0.24 132.00 134.71 1jyj h PRO 146 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jyj h PRO 146 Cb 1.23 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 1jyj h PRO 146 CO 0.56 0.30 0.47 1.49 -0.21 0.00 0.00 178.00 180.61 1jyj h GLU 147 N 0.46 0.96 -0.33 1.05 4.81 -2.00 -0.54 114.58 118.99 1jyj h GLU 147 Ca 0.40 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.43 1jyj h GLU 147 Cb 0.59 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 1jyj h GLU 147 CO -0.38 0.65 -0.34 0.00 -0.73 0.00 0.00 179.01 178.20 1jyj h ALA 148 N 1.25 0.49 -0.63 2.92 0.00 -1.78 -2.63 119.26 118.89 1jyj h ALA 148 Ca 0.26 -0.43 0.08 0.00 0.00 0.00 0.00 54.91 54.83 1jyj h ALA 148 Cb -0.09 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.53 1jyj h ALA 148 CO -0.05 0.55 0.28 0.37 0.00 0.00 0.00 179.25 180.40 1jyj h GLN 149 N 0.59 0.48 -0.40 0.00 5.75 -0.49 0.00 115.11 121.05 1jyj h GLN 149 Ca 0.05 -0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.41 1jyj h GLN 149 Cb 0.93 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.35 1jyj h GLN 149 CO 0.08 0.32 -0.20 0.87 -2.65 0.00 0.00 178.83 177.26 1jyj h LYS 150 N 0.50 0.77 -0.35 1.69 1.57 -1.02 -1.46 116.57 118.27 1jyj h LYS 150 Ca 0.31 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1jyj h LYS 150 Cb 0.32 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1jyj h LYS 150 CO -0.26 0.91 0.05 0.82 -0.57 0.00 0.00 179.45 180.39 1jyj h ILE 151 N 0.68 1.24 -0.61 1.86 2.04 -1.03 -2.42 117.51 119.27 1jyj h ILE 151 Ca 0.10 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.13 1jyj h ILE 151 Cb 0.70 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 1jyj h ILE 151 CO 0.05 0.28 0.38 0.58 0.00 0.00 0.00 178.15 179.45 1jyj h VAL 152 N 0.41 1.09 -0.90 1.67 2.07 -0.74 -0.81 116.25 119.04 1jyj h VAL 152 Ca 0.10 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.43 1jyj h VAL 152 Cb 0.37 0.27 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 1jyj h VAL 152 CO 0.01 0.14 0.56 0.03 0.02 0.00 0.00 177.57 178.33 1jyj h ARG 153 N 0.75 0.98 -0.52 1.57 2.47 -1.10 0.20 114.38 118.75 1jyj h ARG 153 Ca 0.24 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.89 1jyj h ARG 153 Cb -0.00 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.07 1jyj h ARG 153 CO -0.09 0.65 0.27 0.37 0.56 0.00 0.00 179.97 181.73 1jyj h GLN 154 N 1.01 0.73 -0.66 0.04 5.75 -0.80 -1.86 115.11 119.31 1jyj h GLN 154 Ca 0.40 -0.09 -0.07 0.00 -0.15 0.00 0.00 58.65 58.73 1jyj h GLN 154 Cb 0.20 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.59 1jyj h GLN 154 CO -0.18 0.58 0.12 0.00 -2.65 0.00 0.00 178.83 176.70 1jyj h ARG 155 N 0.69 1.08 -0.72 1.69 2.47 0.12 -1.24 114.38 118.47 1jyj h ARG 155 Ca 0.18 -0.28 -0.00 0.00 -1.26 0.00 0.00 59.98 58.62 1jyj h ARG 155 Cb 0.07 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.22 1jyj h ARG 155 CO -0.03 0.98 0.44 1.96 0.56 0.00 0.00 179.97 183.89 1jyj h GLN 156 N 1.00 0.96 -0.25 0.04 4.20 -0.40 -1.67 115.11 119.00 1jyj h GLN 156 Ca 0.20 -0.08 -0.19 0.00 0.06 0.00 0.00 58.65 58.64 1jyj h GLN 156 Cb 0.42 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1jyj h GLN 156 CO 0.01 0.67 -0.61 0.93 -0.67 0.00 0.00 178.83 179.16 1jyj h GLU 157 N 0.98 0.84 0.00 1.46 5.08 -0.98 0.22 114.58 122.18 1jyj h GLU 157 Ca 0.26 -0.57 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1jyj h GLU 157 Cb -0.05 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 1jyj h GLU 157 CO -0.05 1.20 -0.03 0.93 -1.00 0.00 0.00 179.01 180.06 1jyj h GLU 158 N 0.62 0.00 -0.01 2.33 5.08 -0.66 0.21 114.58 122.15 1jyj h GLU 158 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jyj h GLU 158 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1jyj h GLU 158 CO 0.13 0.03 -0.04 1.28 -1.00 0.00 0.00 179.01 179.41 1jyj n LEU 159 N -4.35 1.07 -2.65 1.33 4.77 -0.68 -4.90 117.00 111.59 1jyj n LEU 159 Ca -0.03 -0.34 -0.19 0.00 -0.03 0.00 0.00 56.01 55.42 1jyj n LEU 159 Cb 0.11 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1jyj n LEU 159 CO 0.33 0.18 0.03 0.00 -1.33 0.00 0.00 177.39 176.60 1jyj n LEU 161 N -3.56 0.63 -0.43 0.00 4.77 -0.00 -4.87 117.00 113.53 1jyj n LEU 161 Ca -0.08 -0.68 0.35 0.00 -0.03 0.00 0.00 56.01 55.57 1jyj n LEU 161 Cb 0.60 0.00 0.66 0.00 -2.33 0.00 0.00 43.42 42.34 1jyj n LEU 161 CO 0.42 0.16 1.28 0.00 -1.33 0.00 0.00 177.39 177.92 1jyj h ALA 162 N 0.00 2.83 -0.01 -1.18 0.00 -1.66 0.22 119.26 119.46 1jyj h ALA 162 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jyj h ALA 162 Cb 0.12 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1jyj h ALA 162 CO 0.00 -1.34 -0.22 0.54 0.00 0.00 0.00 179.25 178.23 1jyj n ARG 163 N -4.48 1.06 -0.51 0.00 1.74 -1.26 -4.40 116.66 108.81 1jyj n ARG 163 Ca 0.33 -0.65 0.08 0.00 -0.77 0.00 0.00 57.85 56.84 1jyj n ARG 163 Cb 1.34 -1.49 0.28 0.00 -1.02 0.00 0.00 32.46 31.57 1jyj n ARG 163 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1jyj n GLN 164 N -0.40 3.33 -3.92 5.56 6.02 0.76 -5.01 117.38 123.72 1jyj n GLN 164 Ca 0.13 -2.82 -0.22 0.00 -0.01 0.00 0.00 57.00 54.08 1jyj n GLN 164 Cb 0.36 -1.86 -0.02 0.00 1.02 0.00 0.00 30.24 29.74 1jyj n GLN 164 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1jyj s TYR 165 N -2.56 3.46 0.05 1.08 2.02 -1.25 -4.39 117.35 115.75 1jyj s TYR 165 Ca 0.43 0.03 0.04 0.00 -0.37 0.00 0.00 57.07 57.21 1jyj s TYR 165 Cb 0.33 -1.61 -0.02 0.00 -0.40 0.00 0.00 41.96 40.25 1jyj s TYR 165 CO 0.12 0.43 -0.12 -0.98 -1.57 0.00 0.00 175.55 173.42 1jyj s ARG 166 N -3.89 0.78 0.47 -0.62 1.70 -0.17 -4.94 118.95 112.28 1jyj s ARG 166 Ca 0.35 -0.79 -0.22 0.00 -0.47 0.00 0.00 55.73 54.59 1jyj s ARG 166 Cb -0.09 -0.74 -0.08 0.00 -0.57 0.00 0.00 34.95 33.47 1jyj s ARG 166 CO 0.29 0.17 1.10 -0.51 -1.08 0.00 0.00 175.30 175.28 1jyj s LEU 167 N -1.38 3.95 -0.20 -1.89 1.02 -1.26 -1.09 118.68 117.84 1jyj s LEU 167 Ca -0.02 2.14 -0.04 0.00 0.02 0.00 0.00 54.13 56.23 1jyj s LEU 167 Cb -0.09 -4.37 -0.02 0.00 0.02 0.00 0.00 46.19 41.73 1jyj s LEU 167 CO 0.01 -0.86 -0.03 -0.63 0.02 0.00 0.00 176.35 174.86 1jyj s ILE 168 N -1.71 3.63 0.21 -0.59 -1.09 0.66 -4.84 121.20 117.46 1jyj s ILE 168 Ca 0.65 -0.42 -0.05 0.00 -2.23 0.00 0.00 60.65 58.60 1jyj s ILE 168 Cb -0.23 -2.63 -0.06 0.00 -1.58 0.00 0.00 42.46 37.96 1jyj s ILE 168 CO 0.28 0.44 0.46 0.68 -1.23 0.00 0.00 174.94 175.57 1jyj s VAL 169 N 1.06 5.09 -0.38 2.92 -7.23 -1.26 -4.64 120.40 115.96 1jyj s VAL 169 Ca 0.01 0.06 0.02 0.00 -1.81 0.00 0.00 61.98 60.26 1jyj s VAL 169 Cb -0.15 -3.67 0.11 0.00 0.56 0.00 0.00 36.38 33.24 1jyj s VAL 169 CO 0.01 -0.11 0.14 -1.00 -0.31 0.00 0.00 175.10 173.82 1jyj s HIS 170 N -1.84 2.55 -0.16 2.82 3.76 -1.26 -1.10 115.29 120.06 1jyj s HIS 170 Ca 0.43 -2.45 0.14 0.00 -0.15 0.00 0.00 55.06 53.03 1jyj s HIS 170 Cb -0.11 -2.24 0.40 0.00 1.11 0.00 0.00 32.58 31.73 1jyj s HIS 170 CO 0.26 -0.86 1.20 0.27 -0.85 0.00 0.00 174.74 174.76 1jyj n ASN 171 N 4.15 1.60 0.00 1.40 2.04 -1.26 -4.98 115.26 118.21 1jyj n ASN 171 Ca 0.03 -3.43 0.00 0.00 -0.44 0.00 0.00 54.58 50.75 1jyj n ASN 171 Cb 0.39 -0.47 0.00 0.00 -2.53 0.00 0.00 39.78 37.17 1jyj n ASN 171 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1jyj n GLY 172 N -0.83 0.19 0.59 4.83 0.00 -1.26 -4.81 105.19 103.91 1jyj n GLY 172 Ca 0.16 0.00 0.41 0.00 0.00 0.00 0.00 46.02 46.59 1jyj n GLY 172 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1jyj h TYR 173 N 0.00 0.02 0.00 1.61 -1.99 -1.97 -3.54 116.97 111.10 1jyj h TYR 173 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1jyj h TYR 173 Cb 0.01 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1jyj h TYR 173 CO 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16