#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkx s ASN 2 N 0.00 6.29 -0.13 6.12 0.01 -1.26 -1.73 114.94 124.24 1jkx s ASN 2 Ca 0.00 0.34 -0.02 0.00 -0.71 0.00 0.00 52.86 52.47 1jkx s ASN 2 Cb 0.00 -2.22 -0.02 0.00 0.41 0.00 0.00 41.25 39.42 1jkx s ASN 2 CO 0.00 -0.17 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.72 1jkx s ILE 3 N 1.96 3.62 -0.12 0.60 1.01 0.06 0.22 121.20 128.55 1jkx s ILE 3 Ca 0.16 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.37 1jkx s ILE 3 Cb -0.16 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.77 1jkx s ILE 3 CO 0.09 0.53 -0.21 -0.69 0.00 0.00 0.00 174.94 174.66 1jkx s VAL 4 N 0.07 2.24 -0.07 2.92 1.01 -0.94 -0.17 120.40 125.45 1jkx s VAL 4 Ca -0.02 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1jkx s VAL 4 Cb -0.14 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1jkx s VAL 4 CO 0.03 0.55 -0.12 -0.69 0.00 0.00 0.00 175.10 174.87 1jkx s VAL 5 N 0.57 3.26 -0.12 2.92 1.01 -0.71 -0.57 120.40 126.75 1jkx s VAL 5 Ca -0.12 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 1jkx s VAL 5 Cb -0.17 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1jkx s VAL 5 CO 0.04 0.58 -0.08 -0.76 0.00 0.00 0.00 175.10 174.87 1jkx s LEU 6 N -0.50 3.04 0.21 3.92 1.02 0.03 -0.53 118.68 125.86 1jkx s LEU 6 Ca 0.07 -0.17 -0.00 0.00 0.02 0.00 0.00 54.13 54.04 1jkx s LEU 6 Cb -0.12 -1.70 -0.04 0.00 0.02 0.00 0.00 46.19 44.35 1jkx s LEU 6 CO 0.02 0.22 0.11 0.27 0.02 0.00 0.00 176.35 176.99 1jkx s ILE 7 N 0.03 0.14 0.00 -0.59 -4.36 0.51 -0.88 121.20 116.06 1jkx s ILE 7 Ca -0.02 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.38 1jkx s ILE 7 Cb -0.14 -2.48 0.00 0.00 1.25 0.00 0.00 42.46 41.09 1jkx s ILE 7 CO 0.03 -0.05 0.00 -1.20 0.24 0.00 0.00 174.94 173.96 1jkx n SER 8 N -0.29 0.60 0.00 4.36 7.64 -1.05 -3.30 113.62 121.58 1jkx n SER 8 Ca 0.01 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1jkx n SER 8 Cb 0.66 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 64.09 1jkx n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jkx n GLY 9 N 0.41 5.08 0.22 0.23 0.00 -1.26 -4.52 105.19 105.34 1jkx n GLY 9 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 46.02 45.27 1jkx n GLY 9 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1jkx h ASN 10 N 0.00 -0.15 -0.05 1.61 -0.73 -1.92 -0.09 115.58 114.24 1jkx h ASN 10 Ca 0.00 0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.29 1jkx h ASN 10 Cb 0.00 0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.79 1jkx h ASN 10 CO 0.00 -0.05 0.00 0.61 -0.37 0.00 0.00 177.43 177.62 1jkx n GLY 11 N -1.33 0.71 0.30 1.57 0.00 -1.26 -1.67 105.19 103.51 1jkx n GLY 11 Ca 0.07 -0.70 -0.02 0.00 0.00 0.00 0.00 46.02 45.37 1jkx n GLY 11 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1jkx h SER 12 N 0.00 0.70 -0.39 1.61 4.64 -1.93 0.46 113.55 118.64 1jkx h SER 12 Ca 0.00 -0.12 -0.13 0.00 -0.47 0.00 0.00 61.79 61.08 1jkx h SER 12 Cb 0.80 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1jkx h SER 12 CO 0.00 0.69 -0.23 0.78 -0.87 0.00 0.00 176.83 177.20 1jkx h ASN 13 N 0.73 0.91 -0.37 4.97 2.35 -1.93 -1.27 115.58 120.98 1jkx h ASN 13 Ca 0.16 -0.34 0.02 0.00 -0.55 0.00 0.00 56.30 55.59 1jkx h ASN 13 Cb 0.27 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 1jkx h ASN 13 CO -0.00 1.10 0.20 0.25 -1.65 0.00 0.00 177.43 177.33 1jkx h LEU 14 N 0.77 0.30 -0.64 1.61 6.46 -1.65 -1.99 115.31 120.17 1jkx h LEU 14 Ca 0.10 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.90 1jkx h LEU 14 Cb 0.78 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.62 1jkx h LEU 14 CO 0.06 0.22 0.39 -0.61 -0.62 0.00 0.00 178.44 177.89 1jkx h GLN 15 N 0.41 0.75 -0.59 1.25 5.75 -0.53 -0.69 115.11 121.46 1jkx h GLN 15 Ca 0.15 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1jkx h GLN 15 Cb 0.04 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.40 1jkx h GLN 15 CO -0.09 0.50 0.38 0.00 -2.65 0.00 0.00 178.83 176.96 1jkx h ALA 16 N 1.28 1.56 -0.16 3.38 0.00 -0.74 -0.31 119.26 124.26 1jkx h ALA 16 Ca 0.26 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1jkx h ALA 16 Cb 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1jkx h ALA 16 CO -0.10 0.40 -0.35 0.82 0.00 0.00 0.00 179.25 180.02 1jkx h ILE 17 N 0.80 1.35 -0.43 0.00 2.04 -0.63 -1.81 117.51 118.84 1jkx h ILE 17 Ca 0.22 -1.60 0.03 0.00 1.00 0.00 0.00 64.86 64.50 1jkx h ILE 17 Cb -0.08 1.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1jkx h ILE 17 CO -0.05 0.49 0.22 0.40 0.00 0.00 0.00 178.15 179.21 1jkx h ILE 18 N 0.16 0.98 -0.81 -0.67 2.04 -0.65 -1.19 117.51 117.37 1jkx h ILE 18 Ca 0.00 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1jkx h ILE 18 Cb 0.95 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1jkx h ILE 18 CO 0.08 0.08 0.52 0.44 0.00 0.00 0.00 178.15 179.26 1jkx h ASP 19 N 0.44 0.95 0.16 1.72 3.32 -1.03 -1.06 116.42 120.92 1jkx h ASP 19 Ca 0.18 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 1jkx h ASP 19 Cb 0.08 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1jkx h ASP 19 CO -0.12 0.71 -0.22 0.00 -1.72 0.00 0.00 179.24 177.88 1jkx h ALA 20 N 1.28 1.50 -0.13 3.45 0.00 -0.81 -1.90 119.26 122.66 1jkx h ALA 20 Ca 0.29 -0.24 -0.23 0.00 0.00 0.00 0.00 54.91 54.74 1jkx h ALA 20 Cb -0.09 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1jkx h ALA 20 CO -0.06 0.36 -0.81 0.00 0.00 0.00 0.00 179.25 178.74 1jkx h LYS 22 N 0.50 0.82 -0.01 0.00 3.64 -0.71 -1.74 116.57 119.06 1jkx h LYS 22 Ca -0.06 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1jkx h LYS 22 Cb 1.44 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1jkx h LYS 22 CO 0.16 0.71 -0.09 0.25 -2.27 0.00 0.00 179.45 178.21 1jkx n THR 23 N -4.30 0.00 -1.24 1.00 -2.24 -0.76 -4.91 114.28 101.83 1jkx n THR 23 Ca 0.04 -0.11 -0.08 0.00 -2.27 0.00 0.00 64.05 61.63 1jkx n THR 23 Cb 0.20 0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.45 1jkx n THR 23 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jkx n ASN 24 N -0.65 -4.34 -0.25 3.42 5.15 -0.65 -4.86 115.26 113.08 1jkx n ASN 24 Ca 0.17 0.21 -0.07 0.00 -0.60 0.00 0.00 54.58 54.28 1jkx n ASN 24 Cb 0.28 -2.58 0.04 0.00 -0.53 0.00 0.00 39.78 37.00 1jkx n ASN 24 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1jkx h LYS 25 N 0.11 1.10 -4.84 1.20 3.64 -1.01 -3.33 116.57 113.44 1jkx h LYS 25 Ca -0.17 -0.25 -0.66 0.00 -1.27 0.00 0.00 60.65 58.29 1jkx h LYS 25 Cb 0.66 -0.15 -0.21 0.00 -0.41 0.00 0.00 32.23 32.12 1jkx h LYS 25 CO 0.25 0.96 -0.56 0.42 -2.27 0.00 0.00 179.45 178.25 1jkx s ILE 26 N -5.35 4.75 -1.49 2.00 1.01 -0.56 -4.83 121.20 116.73 1jkx s ILE 26 Ca -0.12 -0.22 -0.12 0.00 0.00 0.00 0.00 60.65 60.19 1jkx s ILE 26 Cb 0.14 -3.34 0.02 0.00 0.01 0.00 0.00 42.46 39.29 1jkx s ILE 26 CO 0.84 0.16 2.45 0.29 0.00 0.00 0.00 174.94 178.68 1jkx n LYS 27 N 5.00 3.33 -1.56 2.79 5.02 -1.25 -4.35 118.16 127.13 1jkx n LYS 27 Ca -0.14 -2.62 -0.00 0.00 -2.02 0.00 0.00 58.31 53.52 1jkx n LYS 27 Cb 0.50 -3.05 0.00 0.00 -0.02 0.00 0.00 35.03 32.47 1jkx n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jkx n GLY 28 N 3.64 1.35 3.08 0.72 0.00 -1.26 -4.43 105.19 108.28 1jkx n GLY 28 Ca 0.60 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 1jkx n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jkx s THR 29 N -2.59 0.03 -0.47 2.61 2.01 -0.71 -4.72 115.64 111.80 1jkx s THR 29 Ca 0.02 -0.25 -0.27 0.00 0.31 0.00 0.00 61.69 61.49 1jkx s THR 29 Cb -0.00 -0.32 0.03 0.00 0.01 0.00 0.00 72.50 72.22 1jkx s THR 29 CO 0.01 -0.14 1.04 -0.69 -0.69 0.00 0.00 174.62 174.15 1jkx s VAL 30 N -0.45 4.33 0.01 3.82 1.01 -1.26 -0.76 120.40 127.09 1jkx s VAL 30 Ca -0.05 1.00 0.11 0.00 0.00 0.00 0.00 61.98 63.03 1jkx s VAL 30 Cb -0.04 -4.53 -0.15 0.00 0.00 0.00 0.00 36.38 31.67 1jkx s VAL 30 CO 0.01 -0.93 1.17 0.03 0.00 0.00 0.00 175.10 175.37 1jkx h ARG 31 N 9.16 0.00 -2.38 2.72 2.47 -0.93 -3.47 114.38 121.94 1jkx h ARG 31 Ca -0.23 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.47 1jkx h ARG 31 Cb 1.07 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 29.23 1jkx h ARG 31 CO 1.08 0.74 0.27 0.00 0.56 0.00 0.00 179.97 182.62 1jkx s ALA 32 N -2.76 -1.72 -0.07 0.04 0.00 -1.23 -4.00 121.76 112.01 1jkx s ALA 32 Ca 0.00 0.98 0.03 0.00 0.00 0.00 0.00 51.96 52.98 1jkx s ALA 32 Cb 0.09 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.54 1jkx s ALA 32 CO 0.80 -0.56 -0.17 0.08 0.00 0.00 0.00 175.76 175.92 1jkx s VAL 33 N -2.41 1.49 0.03 0.00 1.01 -0.43 -1.74 120.40 118.35 1jkx s VAL 33 Ca -0.04 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.32 1jkx s VAL 33 Cb -0.01 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1jkx s VAL 33 CO -0.02 0.43 -0.22 -0.36 0.00 0.00 0.00 175.10 174.93 1jkx s PHE 34 N 0.37 2.45 0.02 5.22 0.40 0.31 -1.39 117.98 125.35 1jkx s PHE 34 Ca -0.12 -0.33 -0.00 0.00 -0.60 0.00 0.00 56.93 55.87 1jkx s PHE 34 Cb -0.15 -1.44 -0.02 0.00 0.51 0.00 0.00 43.02 41.92 1jkx s PHE 34 CO 0.05 0.18 -0.02 0.45 0.70 0.00 0.00 175.22 176.57 1jkx s SER 35 N -1.27 0.20 0.00 1.36 0.15 -0.49 -0.36 113.70 113.29 1jkx s SER 35 Ca 0.13 -0.43 0.24 0.00 0.70 0.00 0.00 55.95 56.59 1jkx s SER 35 Cb -0.10 0.09 0.35 0.00 -1.71 0.00 0.00 66.02 64.65 1jkx s SER 35 CO 0.03 -0.27 1.36 -0.46 1.20 0.00 0.00 173.24 175.10 1jkx n ASN 36 N 1.78 3.34 -3.86 5.45 6.94 -1.21 -1.48 115.26 126.21 1jkx n ASN 36 Ca -0.22 -2.00 -0.24 0.00 -0.02 0.00 0.00 54.58 52.10 1jkx n ASN 36 Cb 0.56 -0.17 -0.17 0.00 -2.36 0.00 0.00 39.78 37.63 1jkx n ASN 36 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1jkx s LYS 37 N -1.65 1.07 0.54 -3.83 -0.14 -1.26 -4.57 119.74 109.91 1jkx s LYS 37 Ca 0.35 -0.10 0.32 0.00 -1.36 0.00 0.00 55.97 55.18 1jkx s LYS 37 Cb 0.22 -1.21 1.51 0.00 -1.68 0.00 0.00 37.83 36.67 1jkx s LYS 37 CO 0.31 -0.23 2.06 0.00 -0.76 0.00 0.00 175.35 176.73 1jkx h ALA 38 N 7.97 1.10 -0.50 5.17 0.00 -1.94 -2.90 119.26 128.16 1jkx h ALA 38 Ca -0.27 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1jkx h ALA 38 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1jkx h ALA 38 CO 0.37 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.31 1jkx n ASP 39 N -3.33 3.33 -4.70 0.00 3.85 -1.26 -4.93 116.55 109.51 1jkx n ASP 39 Ca -0.01 -2.20 -0.42 0.00 -0.71 0.00 0.00 54.79 51.45 1jkx n ASP 39 Cb 0.26 -0.44 -0.03 0.00 -1.35 0.00 0.00 41.12 39.56 1jkx n ASP 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1jkx s ALA 40 N -1.59 3.58 0.39 2.12 0.00 -1.10 -4.87 121.76 120.30 1jkx s ALA 40 Ca 0.37 0.96 0.33 0.00 0.00 0.00 0.00 51.96 53.61 1jkx s ALA 40 Cb 0.22 -3.58 1.65 0.00 0.00 0.00 0.00 23.12 21.41 1jkx s ALA 40 CO 0.20 -0.84 2.12 0.35 0.00 0.00 0.00 175.76 177.59 1jkx h PHE 41 N 7.59 0.00 -0.46 0.00 3.57 -1.67 -1.71 116.94 124.26 1jkx h PHE 41 Ca -0.39 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.22 1jkx h PHE 41 Cb 1.19 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 1jkx h PHE 41 CO 0.73 0.06 0.32 0.78 -2.23 0.00 0.00 178.31 177.98 1jkx h GLY 42 N 0.99 0.16 1.20 2.40 0.00 -0.09 0.74 103.07 108.47 1jkx h GLY 42 Ca -0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 1jkx h GLY 42 CO 0.01 0.03 0.05 1.41 0.00 0.00 0.00 176.54 178.04 1jkx h LEU 43 N 0.11 0.93 -0.47 3.11 3.38 -1.56 -1.87 115.31 118.95 1jkx h LEU 43 Ca 0.22 -0.23 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1jkx h LEU 43 Cb 0.72 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1jkx h LEU 43 CO -0.02 0.96 -0.41 -0.33 0.09 0.00 0.00 178.44 178.73 1jkx h GLU 44 N 0.90 0.82 -0.51 1.13 5.08 -1.02 -1.11 114.58 119.88 1jkx h GLU 44 Ca 0.18 -0.44 0.06 0.00 -1.00 0.00 0.00 59.36 58.16 1jkx h GLU 44 Cb 0.46 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 1jkx h GLU 44 CO 0.02 1.07 0.21 0.00 -1.00 0.00 0.00 179.01 179.31 1jkx h ARG 45 N 0.67 0.40 -0.10 2.33 3.08 -0.95 0.94 114.38 120.75 1jkx h ARG 45 Ca 0.05 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1jkx h ARG 45 Cb 0.98 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.93 1jkx h ARG 45 CO 0.09 0.27 0.02 0.00 -1.07 0.00 0.00 179.97 179.28 1jkx h ALA 46 N 1.31 0.13 -0.44 0.04 0.00 -1.13 -2.39 119.26 116.78 1jkx h ALA 46 Ca 0.24 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1jkx h ALA 46 Cb 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1jkx h ALA 46 CO -0.21 -0.24 0.25 0.00 0.00 0.00 0.00 179.25 179.04 1jkx h ARG 47 N -0.05 0.49 0.00 0.00 3.08 -0.81 -0.36 114.38 116.73 1jkx h ARG 47 Ca 0.03 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jkx h ARG 47 Cb 0.25 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1jkx h ARG 47 CO 0.00 0.32 -0.02 1.96 -1.07 0.00 0.00 179.97 181.16 1jkx h GLN 48 N 0.50 0.00 -0.08 0.04 4.20 -0.76 -1.39 115.11 117.61 1jkx h GLN 48 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1jkx h GLN 48 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1jkx h GLN 48 CO -0.09 0.02 0.00 0.00 -0.67 0.00 0.00 178.83 178.09 1jkx n ALA 49 N -2.26 2.50 -1.54 3.87 0.00 -0.28 -4.95 120.51 117.85 1jkx n ALA 49 Ca -0.03 -0.63 -0.04 0.00 0.00 0.00 0.00 53.44 52.75 1jkx n ALA 49 Cb 0.11 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 1jkx n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jkx n GLY 50 N 1.29 0.46 3.71 0.00 0.00 -0.52 -5.03 105.19 105.09 1jkx n GLY 50 Ca 0.17 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 1jkx n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jkx s ILE 51 N -2.15 4.90 0.43 -0.61 1.01 -0.42 -5.02 121.20 119.34 1jkx s ILE 51 Ca 0.00 -0.00 -0.26 0.00 0.00 0.00 0.00 60.65 60.38 1jkx s ILE 51 Cb 0.00 -3.17 -0.09 0.00 0.01 0.00 0.00 42.46 39.21 1jkx s ILE 51 CO 0.00 0.52 1.46 0.00 0.00 0.00 0.00 174.94 176.92 1jkx s ALA 52 N -0.19 3.35 0.11 9.38 0.00 -1.26 -4.09 121.76 129.07 1jkx s ALA 52 Ca 0.08 1.53 0.07 0.00 0.00 0.00 0.00 51.96 53.64 1jkx s ALA 52 Cb -0.12 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 1jkx s ALA 52 CO 0.01 -1.19 -0.18 0.95 0.00 0.00 0.00 175.76 175.35 1jkx s THR 53 N -1.17 1.57 -0.03 0.00 -4.23 -1.26 -1.31 115.64 109.20 1jkx s THR 53 Ca 0.59 -1.61 -0.03 0.00 -1.18 0.00 0.00 61.69 59.46 1jkx s THR 53 Cb -0.45 -1.53 0.01 0.00 1.34 0.00 0.00 72.50 71.87 1jkx s THR 53 CO 0.59 -0.20 0.09 -1.00 -0.54 0.00 0.00 174.62 173.56 1jkx s HIS 54 N -1.52 -0.10 -0.10 3.99 3.76 -0.49 -4.96 115.29 115.88 1jkx s HIS 54 Ca 0.07 0.24 0.02 0.00 -0.15 0.00 0.00 55.06 55.24 1jkx s HIS 54 Cb -0.08 0.02 0.02 0.00 1.11 0.00 0.00 32.58 33.64 1jkx s HIS 54 CO 0.04 -0.05 -0.14 0.99 -0.85 0.00 0.00 174.74 174.73 1jkx s THR 55 N 0.13 1.36 -0.24 1.30 2.01 -1.26 -1.39 115.64 117.54 1jkx s THR 55 Ca -0.01 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.44 1jkx s THR 55 Cb -0.01 -1.25 0.04 0.00 0.01 0.00 0.00 72.50 71.28 1jkx s THR 55 CO -0.00 0.41 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.47 1jkx s LEU 56 N 1.02 3.04 -0.08 4.42 1.02 -0.55 -4.98 118.68 122.56 1jkx s LEU 56 Ca -0.07 -0.99 -0.16 0.00 0.02 0.00 0.00 54.13 52.93 1jkx s LEU 56 Cb -0.15 -1.59 -0.05 0.00 0.02 0.00 0.00 46.19 44.43 1jkx s LEU 56 CO -0.01 -0.12 0.41 -0.63 0.02 0.00 0.00 176.35 176.02 1jkx s ILE 57 N 1.25 5.15 0.23 -0.59 -1.09 -1.26 -4.25 121.20 120.63 1jkx s ILE 57 Ca -0.02 0.82 -0.06 0.00 -2.23 0.00 0.00 60.65 59.16 1jkx s ILE 57 Cb -0.17 -3.73 0.19 0.00 -1.58 0.00 0.00 42.46 37.16 1jkx s ILE 57 CO -0.07 0.44 1.79 0.00 -1.23 0.00 0.00 174.94 175.88 1jkx h ALA 58 N 5.87 1.03 0.00 9.38 0.00 -1.94 -1.32 119.26 132.29 1jkx h ALA 58 Ca -0.45 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1jkx h ALA 58 Cb 1.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1jkx h ALA 58 CO 0.70 -0.01 0.00 0.66 0.00 0.00 0.00 179.25 180.60 1jkx h SER 59 N 0.65 0.00 0.85 0.00 4.64 -1.98 -0.44 113.55 117.27 1jkx h SER 59 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1jkx h SER 59 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1jkx h SER 59 CO -0.26 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 175.65 1jkx n ALA 60 N -1.82 2.47 -2.45 5.18 0.00 -0.50 -4.81 120.51 118.58 1jkx n ALA 60 Ca -0.00 -0.13 -0.26 0.00 0.00 0.00 0.00 53.44 53.04 1jkx n ALA 60 Cb 0.11 -1.44 -0.12 0.00 0.00 0.00 0.00 19.45 17.99 1jkx n ALA 60 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1jkx s PHE 61 N -2.89 2.09 -2.25 0.00 0.08 -0.18 -5.05 117.98 109.78 1jkx s PHE 61 Ca 0.17 -0.40 0.22 0.00 0.12 0.00 0.00 56.93 57.04 1jkx s PHE 61 Cb 0.19 -1.10 0.53 0.00 -0.57 0.00 0.00 43.02 42.07 1jkx s PHE 61 CO 0.53 0.33 1.46 -0.25 -0.10 0.00 0.00 175.22 177.18 1jkx n ASP 62 N 0.76 3.34 -3.55 1.36 8.00 -1.26 -4.96 116.55 120.24 1jkx n ASP 62 Ca -0.17 -1.97 -0.08 0.00 0.71 0.00 0.00 54.79 53.28 1jkx n ASP 62 Cb 0.54 -0.32 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 1jkx n ASP 62 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1jkx s SER 63 N -1.28 -0.32 0.35 -2.24 1.04 -1.26 -5.00 113.70 104.98 1jkx s SER 63 Ca 0.41 0.14 0.07 0.00 0.48 0.00 0.00 55.95 57.04 1jkx s SER 63 Cb 0.22 0.31 0.64 0.00 0.10 0.00 0.00 66.02 67.30 1jkx s SER 63 CO 0.31 -0.45 1.85 0.03 0.98 0.00 0.00 173.24 175.95 1jkx h ARG 64 N 2.19 0.35 -0.20 4.02 3.08 -1.97 -2.20 114.38 119.64 1jkx h ARG 64 Ca -0.18 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.75 1jkx h ARG 64 Cb 1.20 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 1jkx h ARG 64 CO 0.29 0.50 0.07 0.93 -1.07 0.00 0.00 179.97 180.69 1jkx h GLU 65 N 0.33 0.32 -0.97 0.04 3.07 -1.99 -2.11 114.58 113.27 1jkx h GLU 65 Ca 0.06 -0.07 0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1jkx h GLU 65 Cb 0.45 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.27 1jkx h GLU 65 CO 0.03 0.41 0.63 0.00 -1.40 0.00 0.00 179.01 178.67 1jkx h ALA 66 N 0.89 1.28 0.19 3.43 0.00 -1.88 -0.04 119.26 123.13 1jkx h ALA 66 Ca 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1jkx h ALA 66 Cb 0.23 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1jkx h ALA 66 CO -0.00 0.65 -0.09 -0.92 0.00 0.00 0.00 179.25 178.89 1jkx h TYR 67 N 1.32 -0.24 -0.02 0.00 5.03 -1.23 -2.41 116.97 119.42 1jkx h TYR 67 Ca 0.35 -0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.58 1jkx h TYR 67 Cb -0.13 0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.22 1jkx h TYR 67 CO 0.00 -0.04 -0.34 -0.44 -1.32 0.00 0.00 178.16 176.01 1jkx h ASP 68 N -0.39 0.05 -0.60 -2.11 5.19 -1.22 -0.56 116.42 116.78 1jkx h ASP 68 Ca -0.03 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 1jkx h ASP 68 Cb 0.30 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.77 1jkx h ASP 68 CO 0.04 0.39 0.32 -0.09 -3.12 0.00 0.00 179.24 176.79 1jkx h ARG 69 N 0.04 0.83 -0.19 3.56 2.43 -0.82 0.26 114.38 120.50 1jkx h ARG 69 Ca 0.00 -0.10 -0.18 0.00 -0.81 0.00 0.00 59.98 58.89 1jkx h ARG 69 Cb 0.63 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1jkx h ARG 69 CO 0.05 0.64 -0.61 1.49 -1.51 0.00 0.00 179.97 180.03 1jkx h GLU 70 N 0.81 0.63 -0.76 0.20 4.57 -1.07 -2.22 114.58 116.73 1jkx h GLU 70 Ca 0.21 -0.43 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 1jkx h GLU 70 Cb 0.05 0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.67 1jkx h GLU 70 CO -0.03 1.05 0.42 1.25 -1.18 0.00 0.00 179.01 180.52 1jkx h LEU 71 N 0.47 0.95 -0.47 1.64 5.85 -0.71 -0.99 115.31 122.04 1jkx h LEU 71 Ca -0.00 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 1jkx h LEU 71 Cb 1.18 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1jkx h LEU 71 CO 0.12 0.77 -0.11 0.40 -0.34 0.00 0.00 178.44 179.28 1jkx h ILE 72 N 1.06 1.27 -0.36 4.05 2.04 -0.90 -1.10 117.51 123.57 1jkx h ILE 72 Ca 0.27 -1.24 0.01 0.00 1.00 0.00 0.00 64.86 64.90 1jkx h ILE 72 Cb 0.03 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1jkx h ILE 72 CO -0.04 0.43 0.23 -0.74 0.00 0.00 0.00 178.15 178.02 1jkx h HIS 73 N 0.76 0.44 -0.13 1.37 2.76 -0.97 -1.24 115.15 118.14 1jkx h HIS 73 Ca 0.12 0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.16 1jkx h HIS 73 Cb 0.66 -0.15 0.01 0.00 1.55 0.00 0.00 27.41 29.48 1jkx h HIS 73 CO 0.05 0.27 -0.49 0.93 -1.30 0.00 0.00 177.93 177.39 1jkx h GLU 74 N 0.47 0.56 -0.23 5.26 4.39 -1.16 -3.26 114.58 120.61 1jkx h GLU 74 Ca 0.13 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1jkx h GLU 74 Cb -0.04 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1jkx h GLU 74 CO -0.04 1.05 0.15 0.82 -1.16 0.00 0.00 179.01 179.84 1jkx h ILE 75 N 0.18 1.06 0.00 3.13 2.04 -1.13 -2.55 117.51 120.24 1jkx h ILE 75 Ca -0.02 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1jkx h ILE 75 Cb 1.12 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1jkx h ILE 75 CO 0.10 0.06 0.04 0.44 0.00 0.00 0.00 178.15 178.79 1jkx h ASP 76 N 0.31 0.00 0.60 1.72 5.19 -1.30 -1.05 116.42 121.90 1jkx h ASP 76 Ca 0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1jkx h ASP 76 Cb -0.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.48 1jkx h ASP 76 CO -0.02 0.00 0.00 0.24 -3.12 0.00 0.00 179.24 176.34 1jkx h MET 77 N 0.00 0.00 -0.31 3.56 2.86 -1.49 -1.63 114.93 117.92 1jkx h MET 77 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1jkx h MET 77 Cb 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1jkx h MET 77 CO 0.00 0.00 0.00 0.66 1.06 0.00 0.00 176.91 178.63 1jkx n TYR 78 N -2.68 0.39 -3.86 -0.22 4.01 -0.40 -4.99 117.16 109.41 1jkx n TYR 78 Ca 0.00 -0.20 -0.34 0.00 -0.16 0.00 0.00 57.90 57.20 1jkx n TYR 78 Cb 0.20 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.25 1jkx n TYR 78 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jkx n ALA 79 N 1.34 -2.67 -1.77 -0.72 0.00 -0.61 -4.88 120.51 111.20 1jkx n ALA 79 Ca 0.18 -0.39 -0.38 0.00 0.00 0.00 0.00 53.44 52.85 1jkx n ALA 79 Cb 0.58 -2.18 -0.02 0.00 0.00 0.00 0.00 19.45 17.83 1jkx n ALA 79 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1jkx s PRO 80 N -6.12 3.95 -0.02 0.00 0.04 -1.26 -4.64 135.00 126.94 1jkx s PRO 80 Ca 0.30 1.84 0.19 0.00 0.04 0.00 0.00 61.00 63.37 1jkx s PRO 80 Cb -0.15 -2.59 -0.22 0.00 0.04 0.00 0.00 34.50 31.58 1jkx s PRO 80 CO 0.92 -0.41 0.53 -0.25 0.04 0.00 0.00 177.00 177.83 1jkx n ASP 81 N -0.12 0.35 -3.70 6.66 8.00 0.13 -4.93 116.55 122.95 1jkx n ASP 81 Ca 0.05 0.15 -0.12 0.00 0.71 0.00 0.00 54.79 55.58 1jkx n ASP 81 Cb 0.47 1.02 -0.10 0.00 -0.02 0.00 0.00 41.12 42.49 1jkx n ASP 81 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1jkx s VAL 82 N -3.05 -0.01 -0.21 2.53 0.11 -1.12 -4.85 120.40 113.80 1jkx s VAL 82 Ca -0.06 0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 58.95 1jkx s VAL 82 Cb 0.10 -0.67 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 1jkx s VAL 82 CO 0.85 0.01 0.01 -0.69 -3.33 0.00 0.00 175.10 171.95 1jkx s VAL 83 N 0.57 4.00 -0.23 2.04 1.01 0.27 -2.21 120.40 125.85 1jkx s VAL 83 Ca -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 1jkx s VAL 83 Cb -0.04 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1jkx s VAL 83 CO -0.03 0.41 -0.05 -0.69 0.00 0.00 0.00 175.10 174.74 1jkx s VAL 84 N 1.12 3.26 -0.26 2.92 1.01 0.26 -1.23 120.40 127.48 1jkx s VAL 84 Ca 0.03 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.17 1jkx s VAL 84 Cb -0.14 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1jkx s VAL 84 CO 0.02 0.37 0.72 -0.76 0.00 0.00 0.00 175.10 175.45 1jkx s LEU 85 N 1.45 4.08 -0.48 3.92 1.43 0.71 -0.79 118.68 128.99 1jkx s LEU 85 Ca 0.05 0.78 0.03 0.00 -1.03 0.00 0.00 54.13 53.96 1jkx s LEU 85 Cb -0.15 -3.00 0.15 0.00 0.03 0.00 0.00 46.19 43.23 1jkx s LEU 85 CO -0.04 -0.47 0.33 0.00 0.23 0.00 0.00 176.35 176.40 1jkx s ALA 86 N 2.71 2.18 0.00 4.21 0.00 -0.06 -3.60 121.76 127.20 1jkx s ALA 86 Ca 0.30 -2.77 0.00 0.00 0.00 0.00 0.00 51.96 49.49 1jkx s ALA 86 Cb -0.15 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1jkx s ALA 86 CO 0.09 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.22 1jkx n GLY 87 N 3.00 0.58 3.63 0.00 0.00 -1.26 -4.40 105.19 106.75 1jkx n GLY 87 Ca 0.18 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 1jkx n GLY 87 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jkx s PHE 88 N -2.00 2.86 -0.65 1.61 5.36 -1.26 -2.53 117.98 121.37 1jkx s PHE 88 Ca 0.00 0.97 -0.00 0.00 -0.96 0.00 0.00 56.93 56.94 1jkx s PHE 88 Cb 0.00 -3.87 0.42 0.00 -0.34 0.00 0.00 43.02 39.23 1jkx s PHE 88 CO 0.00 -1.35 1.85 -1.33 -1.46 0.00 0.00 175.22 172.94 1jkx n MET 89 N 7.19 2.89 -3.91 10.12 2.81 -1.26 -4.90 117.12 130.06 1jkx n MET 89 Ca 0.14 -3.56 -0.20 0.00 -1.81 0.00 0.00 57.70 52.26 1jkx n MET 89 Cb 0.47 -2.28 -0.17 0.00 -0.71 0.00 0.00 33.22 30.53 1jkx n MET 89 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1jkx s ARG 90 N -3.85 0.50 0.20 0.03 3.52 -1.26 -5.12 118.95 112.97 1jkx s ARG 90 Ca 0.58 0.07 -0.32 0.00 -0.13 0.00 0.00 55.73 55.93 1jkx s ARG 90 Cb 0.47 -0.74 -0.12 0.00 -1.56 0.00 0.00 34.95 33.00 1jkx s ARG 90 CO -0.13 -0.19 1.75 -0.89 -0.81 0.00 0.00 175.30 175.02 1jkx n ILE 91 N 4.55 0.06 -3.42 4.11 5.41 -1.26 -4.98 119.36 123.83 1jkx n ILE 91 Ca -0.18 -0.01 -0.38 0.00 1.00 0.00 0.00 62.75 63.19 1jkx n ILE 91 Cb 0.50 -2.01 -0.06 0.00 -0.71 0.00 0.00 39.64 37.36 1jkx n ILE 91 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1jkx s LEU 92 N 1.41 4.32 0.95 1.39 1.43 -1.26 -5.07 118.68 121.85 1jkx s LEU 92 Ca 0.76 0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 54.52 1jkx s LEU 92 Cb -0.50 -2.58 0.16 0.00 0.03 0.00 0.00 46.19 43.30 1jkx s LEU 92 CO 0.33 0.11 1.09 -0.94 0.23 0.00 0.00 176.35 177.17 1jkx s SER 93 N 0.14 2.94 0.41 2.29 1.04 -1.26 -4.78 113.70 114.48 1jkx s SER 93 Ca 0.23 1.58 0.08 0.00 0.48 0.00 0.00 55.95 58.31 1jkx s SER 93 Cb -0.15 -2.24 0.87 0.00 0.10 0.00 0.00 66.02 64.61 1jkx s SER 93 CO 0.09 -2.99 2.05 -0.65 0.98 0.00 0.00 173.24 172.73 1jkx h PRO 94 N -1.79 0.53 -0.66 4.02 0.11 -1.99 -1.75 132.00 130.47 1jkx h PRO 94 Ca -0.51 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 1jkx h PRO 94 Cb 1.29 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1jkx h PRO 94 CO 0.52 0.35 0.25 0.00 -0.21 0.00 0.00 178.00 178.91 1jkx h ALA 95 N 1.74 0.85 -0.13 -0.75 0.00 -1.99 0.06 119.26 119.05 1jkx h ALA 95 Ca 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1jkx h ALA 95 Cb -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 1jkx h ALA 95 CO -0.04 0.48 -0.04 0.35 0.00 0.00 0.00 179.25 180.01 1jkx h PHE 96 N 0.93 0.29 -0.85 0.00 3.04 -1.74 -1.13 116.94 117.47 1jkx h PHE 96 Ca 0.22 -0.06 0.03 0.00 3.98 0.00 0.00 57.97 62.14 1jkx h PHE 96 Cb 0.22 -0.07 -0.05 0.00 2.56 0.00 0.00 35.95 38.61 1jkx h PHE 96 CO 0.01 0.56 0.55 0.28 -2.02 0.00 0.00 178.31 177.69 1jkx h VAL 97 N -0.07 1.14 -0.57 1.41 2.07 -1.20 -2.11 116.25 116.92 1jkx h VAL 97 Ca 0.03 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 1jkx h VAL 97 Cb 0.47 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1jkx h VAL 97 CO 0.01 0.20 0.05 -1.28 0.02 0.00 0.00 177.57 176.57 1jkx h SER 98 N 1.07 0.95 -0.46 0.57 0.87 -0.92 -2.23 113.55 113.40 1jkx h SER 98 Ca 0.34 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1jkx h SER 98 Cb 0.00 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 1jkx h SER 98 CO -0.11 1.00 0.27 -0.74 -0.53 0.00 0.00 176.83 176.72 1jkx h HIS 99 N 0.87 0.62 -0.56 2.24 6.17 -0.56 -2.64 115.15 121.29 1jkx h HIS 99 Ca 0.17 0.00 -0.36 0.00 0.71 0.00 0.00 60.37 60.89 1jkx h HIS 99 Cb 0.48 -0.21 -0.22 0.00 2.52 0.00 0.00 27.41 29.98 1jkx h HIS 99 CO 0.04 0.43 -0.12 0.66 0.71 0.00 0.00 177.93 179.64 1jkx n TYR 100 N -4.43 1.87 -1.72 5.26 4.01 -0.92 -5.04 117.16 116.20 1jkx n TYR 100 Ca 0.04 -1.99 -0.42 0.00 -0.16 0.00 0.00 57.90 55.37 1jkx n TYR 100 Cb 0.09 -0.61 -0.03 0.00 -0.31 0.00 0.00 39.34 38.48 1jkx n TYR 100 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jkx s ALA 101 N -3.43 3.93 0.00 -0.72 0.00 -0.85 -1.58 121.76 119.10 1jkx s ALA 101 Ca 0.50 1.59 0.00 0.00 0.00 0.00 0.00 51.96 54.04 1jkx s ALA 101 Cb 0.43 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1jkx s ALA 101 CO 0.01 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.21 1jkx n GLY 102 N 4.02 1.34 1.03 0.00 0.00 -1.26 -4.81 105.19 105.51 1jkx n GLY 102 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 1jkx n GLY 102 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1jkx n ARG 103 N -2.00 0.00 -4.09 1.61 1.85 -0.62 -4.65 116.66 108.77 1jkx n ARG 103 Ca 0.00 -1.51 -0.33 0.00 -1.00 0.00 0.00 57.85 55.01 1jkx n ARG 103 Cb 0.00 -0.21 -0.16 0.00 -1.05 0.00 0.00 32.46 31.04 1jkx n ARG 103 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1jkx s LEU 104 N 0.00 2.34 0.12 2.89 2.96 -1.02 -0.56 118.68 125.42 1jkx s LEU 104 Ca 0.18 -0.69 0.08 0.00 -0.22 0.00 0.00 54.13 53.48 1jkx s LEU 104 Cb 0.20 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.34 1jkx s LEU 104 CO -0.09 -0.02 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.01 1jkx s LEU 105 N 1.29 2.83 0.04 -0.68 1.43 -0.36 -0.64 118.68 122.59 1jkx s LEU 105 Ca 0.04 -0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 52.55 1jkx s LEU 105 Cb -0.14 -1.64 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 1jkx s LEU 105 CO -0.11 0.17 0.13 0.21 0.23 0.00 0.00 176.35 176.98 1jkx s ASN 106 N -2.27 0.13 -0.10 2.29 2.47 -0.70 -0.21 114.94 116.54 1jkx s ASN 106 Ca 0.20 -0.47 0.03 0.00 0.42 0.00 0.00 52.86 53.04 1jkx s ASN 106 Cb -0.10 0.25 0.01 0.00 -1.45 0.00 0.00 41.25 39.95 1jkx s ASN 106 CO 0.12 -0.52 -0.20 -0.51 -3.72 0.00 0.00 177.10 172.26 1jkx s ILE 107 N -2.58 1.80 -0.15 -5.21 2.07 -1.24 -1.02 121.20 114.88 1jkx s ILE 107 Ca -0.05 -0.85 0.01 0.00 -1.41 0.00 0.00 60.65 58.35 1jkx s ILE 107 Cb -0.01 -1.59 0.00 0.00 0.13 0.00 0.00 42.46 40.99 1jkx s ILE 107 CO -0.04 0.50 -0.17 -2.28 -1.91 0.00 0.00 174.94 171.04 1jkx s HIS 108 N 0.59 2.75 0.00 3.50 5.65 0.10 -4.79 115.29 123.09 1jkx s HIS 108 Ca -0.14 -1.09 -0.03 0.00 0.25 0.00 0.00 55.06 54.05 1jkx s HIS 108 Cb -0.17 -1.86 -0.12 0.00 -1.18 0.00 0.00 32.58 29.25 1jkx s HIS 108 CO 0.04 -0.49 2.00 -0.35 -0.65 0.00 0.00 174.74 175.30 1jkx n PRO 109 N 4.01 0.99 -3.57 2.88 -0.04 -1.26 0.34 135.00 138.35 1jkx n PRO 109 Ca -0.19 -0.45 -0.10 0.00 -0.04 0.00 0.00 63.50 62.71 1jkx n PRO 109 Cb 0.52 -1.68 -0.02 0.00 -0.04 0.00 0.00 33.50 32.27 1jkx n PRO 109 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1jkx s SER 110 N 2.39 -0.45 -1.21 3.54 1.04 -0.72 -4.49 113.70 113.80 1jkx s SER 110 Ca 0.30 -0.21 -0.15 0.00 0.48 0.00 0.00 55.95 56.36 1jkx s SER 110 Cb 0.14 0.63 0.14 0.00 0.10 0.00 0.00 66.02 67.03 1jkx s SER 110 CO 0.00 -1.07 1.49 -0.76 0.98 0.00 0.00 173.24 173.88 1jkx s LEU 111 N -2.81 4.69 0.66 2.42 1.43 -1.26 -3.15 118.68 120.66 1jkx s LEU 111 Ca 0.04 -2.75 -0.17 0.00 -1.03 0.00 0.00 54.13 50.23 1jkx s LEU 111 Cb -0.02 -2.45 -0.07 0.00 0.03 0.00 0.00 46.19 43.67 1jkx s LEU 111 CO -0.07 -0.90 0.41 0.18 0.23 0.00 0.00 176.35 176.20 1jkx n LEU 112 N 6.52 0.11 0.00 1.79 4.77 -1.26 -1.82 117.00 127.12 1jkx n LEU 112 Ca 0.39 0.63 0.11 0.00 -0.03 0.00 0.00 56.01 57.11 1jkx n LEU 112 Cb 0.44 -1.15 0.63 0.00 -2.33 0.00 0.00 43.42 41.02 1jkx n LEU 112 CO 0.65 -3.37 0.83 -0.81 -1.33 0.00 0.00 177.39 173.37 1jkx n PRO 113 N -0.15 0.73 -2.19 3.23 -0.04 -1.26 -4.93 135.00 130.38 1jkx n PRO 113 Ca 0.10 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.17 1jkx n PRO 113 Cb 0.49 -1.46 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 1jkx n PRO 113 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1jkx s LYS 114 N -2.00 4.09 -1.09 0.54 1.02 -0.76 -3.93 119.74 117.62 1jkx s LYS 114 Ca 0.32 2.00 -0.22 0.00 0.02 0.00 0.00 55.97 58.09 1jkx s LYS 114 Cb 0.15 -2.78 0.02 0.00 -0.52 0.00 0.00 37.83 34.69 1jkx s LYS 114 CO 0.25 -0.34 0.71 0.66 -0.92 0.00 0.00 175.35 175.71 1jkx n TYR 115 N 0.24 -1.78 0.85 3.18 4.01 -1.26 -4.29 117.16 118.11 1jkx n TYR 115 Ca 0.03 0.40 0.10 0.00 -0.16 0.00 0.00 57.90 58.27 1jkx n TYR 115 Cb 0.45 -3.08 0.48 0.00 -0.31 0.00 0.00 39.34 36.87 1jkx n TYR 115 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1jkx n PRO 116 N -4.12 0.19 0.00 -0.72 -0.04 -1.25 -4.77 135.00 124.29 1jkx n PRO 116 Ca -0.14 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1jkx n PRO 116 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1jkx n PRO 116 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jkx n GLY 117 N 0.46 1.16 4.02 0.55 0.00 -1.26 -5.12 105.19 104.99 1jkx n GLY 117 Ca 0.08 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 45.09 1jkx n GLY 117 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jkx s LEU 118 N 0.00 3.43 -1.57 0.99 1.43 -1.26 -4.58 118.68 117.12 1jkx s LEU 118 Ca 0.00 -0.59 -0.10 0.00 -1.03 0.00 0.00 54.13 52.41 1jkx s LEU 118 Cb 0.00 -2.24 0.08 0.00 0.03 0.00 0.00 46.19 44.06 1jkx s LEU 118 CO 0.00 -1.00 0.58 1.41 0.23 0.00 0.00 176.35 177.57 1jkx n HIS 119 N -2.01 -1.67 -0.22 0.29 8.25 -1.26 -4.86 115.22 113.74 1jkx n HIS 119 Ca 0.11 0.76 -0.06 0.00 -0.26 0.00 0.00 57.72 58.27 1jkx n HIS 119 Cb 0.60 -3.26 0.04 0.00 1.12 0.00 0.00 29.99 28.49 1jkx n HIS 119 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1jkx h THR 120 N -1.66 1.18 -0.58 1.59 1.35 -1.86 -1.53 112.91 111.39 1jkx h THR 120 Ca -0.61 -0.38 -0.01 0.00 -0.55 0.00 0.00 66.41 64.86 1jkx h THR 120 Cb 1.38 0.31 -0.03 0.00 -1.73 0.00 0.00 68.15 68.08 1jkx h THR 120 CO 0.71 0.18 0.33 0.45 -0.25 0.00 0.00 175.52 176.94 1jkx h HIS 121 N 0.84 0.78 -0.61 4.73 3.86 -1.89 -1.06 115.15 121.80 1jkx h HIS 121 Ca 0.22 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.36 1jkx h HIS 121 Cb -0.04 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.15 1jkx h HIS 121 CO -0.02 0.56 0.14 -0.09 0.86 0.00 0.00 177.93 179.38 1jkx h ARG 122 N 0.78 0.99 -0.40 2.45 2.43 -1.88 -2.45 114.38 116.30 1jkx h ARG 122 Ca 0.21 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1jkx h ARG 122 Cb 0.02 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1jkx h ARG 122 CO -0.04 0.90 0.17 1.96 -1.51 0.00 0.00 179.97 181.46 1jkx h GLN 123 N 0.90 0.59 -0.76 0.20 4.20 -0.96 0.57 115.11 119.85 1jkx h GLN 123 Ca 0.19 -0.10 0.08 0.00 0.06 0.00 0.00 58.65 58.88 1jkx h GLN 123 Cb 0.37 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 27.98 1jkx h GLN 123 CO 0.00 0.54 0.43 0.00 -0.67 0.00 0.00 178.83 179.14 1jkx h ALA 124 N 1.02 1.06 -0.13 3.87 0.00 -1.07 0.03 119.26 124.04 1jkx h ALA 124 Ca 0.13 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1jkx h ALA 124 Cb 0.16 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1jkx h ALA 124 CO -0.01 0.08 -0.18 1.25 0.00 0.00 0.00 179.25 180.39 1jkx h LEU 125 N 0.75 0.38 -0.70 0.00 5.85 -1.02 -1.64 115.31 118.93 1jkx h LEU 125 Ca 0.36 -0.52 0.10 0.00 0.84 0.00 0.00 57.88 58.65 1jkx h LEU 125 Cb 0.28 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 1jkx h LEU 125 CO -0.22 0.83 0.34 -0.33 -0.34 0.00 0.00 178.44 178.71 1jkx h GLU 126 N -0.05 0.55 -0.00 1.25 4.39 0.74 -2.11 114.58 119.35 1jkx h GLU 126 Ca 0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1jkx h GLU 126 Cb 0.74 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1jkx h GLU 126 CO 0.04 0.36 -0.05 0.09 -1.16 0.00 0.00 179.01 178.29 1jkx n ASN 127 N -4.89 0.07 -0.49 1.42 3.02 -0.06 -4.93 115.26 109.40 1jkx n ASN 127 Ca 0.11 0.27 -0.03 0.00 -0.03 0.00 0.00 54.58 54.90 1jkx n ASN 127 Cb 0.29 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 1jkx n ASN 127 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jkx n GLY 128 N 1.46 0.34 3.77 7.41 0.00 -0.79 -5.01 105.19 112.36 1jkx n GLY 128 Ca 0.08 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 1jkx n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jkx s ASP 129 N -2.90 5.97 0.17 1.61 1.11 -0.64 -4.92 116.67 117.07 1jkx s ASP 129 Ca 0.02 2.81 0.23 0.00 0.18 0.00 0.00 52.55 55.80 1jkx s ASP 129 Cb -0.01 -2.65 0.22 0.00 1.07 0.00 0.00 42.92 41.56 1jkx s ASP 129 CO 0.02 -1.10 1.24 -0.08 1.18 0.00 0.00 175.17 176.44 1jkx h GLU 130 N 2.36 0.00 -4.15 8.23 4.81 -1.90 -3.43 114.58 120.50 1jkx h GLU 130 Ca -0.50 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.55 1jkx h GLU 130 Cb 1.26 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.45 1jkx h GLU 130 CO 0.61 0.00 -0.70 -1.83 -0.73 0.00 0.00 179.01 176.36 1jkx s GLU 131 N -3.24 0.44 0.29 1.92 -1.05 -1.26 -0.88 118.70 114.91 1jkx s GLU 131 Ca 0.04 -0.81 -0.03 0.00 -0.15 0.00 0.00 54.97 54.03 1jkx s GLU 131 Cb 0.11 0.06 0.01 0.00 -0.44 0.00 0.00 34.13 33.88 1jkx s GLU 131 CO 0.74 -0.05 0.42 1.58 0.95 0.00 0.00 175.26 178.90 1jkx n HIS 132 N 1.16 -1.34 -2.48 4.83 -0.00 -0.08 -4.90 115.22 112.40 1jkx n HIS 132 Ca -0.21 -1.87 0.00 0.00 0.46 0.00 0.00 57.72 56.11 1jkx n HIS 132 Cb 0.57 0.48 0.00 0.00 -0.12 0.00 0.00 29.99 30.91 1jkx n HIS 132 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1jkx n GLY 133 N -0.47 -0.56 3.04 1.57 0.00 -1.26 0.20 105.19 107.72 1jkx n GLY 133 Ca -0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 1jkx n GLY 133 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1jkx s THR 134 N -3.30 0.13 -0.06 2.61 -1.32 -0.62 -1.76 115.64 111.32 1jkx s THR 134 Ca 0.00 -1.07 0.01 0.00 -1.21 0.00 0.00 61.69 59.42 1jkx s THR 134 Cb 0.00 -0.61 0.02 0.00 -1.51 0.00 0.00 72.50 70.41 1jkx s THR 134 CO 0.00 -0.59 -0.04 -0.44 -2.21 0.00 0.00 174.62 171.34 1jkx s SER 135 N -1.82 1.21 -0.17 8.08 0.01 0.15 -1.69 113.70 119.48 1jkx s SER 135 Ca -0.10 -0.15 -0.11 0.00 1.31 0.00 0.00 55.95 56.90 1jkx s SER 135 Cb -0.05 -0.51 -0.05 0.00 0.21 0.00 0.00 66.02 65.63 1jkx s SER 135 CO -0.03 -0.08 0.21 -0.69 0.41 0.00 0.00 173.24 173.06 1jkx s VAL 136 N 1.14 5.36 0.06 3.43 1.01 -0.30 0.01 120.40 131.11 1jkx s VAL 136 Ca -0.07 0.36 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 1jkx s VAL 136 Cb -0.14 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 1jkx s VAL 136 CO -0.01 0.44 0.17 -1.38 0.00 0.00 0.00 175.10 174.32 1jkx s HIS 137 N 0.25 0.13 0.29 5.22 -0.00 -0.19 -0.10 115.29 120.89 1jkx s HIS 137 Ca 0.13 -0.45 -0.28 0.00 -0.00 0.00 0.00 55.06 54.45 1jkx s HIS 137 Cb -0.12 -0.07 -0.09 0.00 -0.00 0.00 0.00 32.58 32.30 1jkx s HIS 137 CO 0.01 -0.46 1.06 -0.06 -0.00 0.00 0.00 174.74 175.29 1jkx s PHE 138 N -3.11 3.61 -0.19 0.38 0.08 -0.49 -1.73 117.98 116.53 1jkx s PHE 138 Ca -0.01 1.74 -0.16 0.00 0.12 0.00 0.00 56.93 58.61 1jkx s PHE 138 Cb 0.02 -3.19 -0.04 0.00 -0.57 0.00 0.00 43.02 39.24 1jkx s PHE 138 CO -0.07 -0.34 0.42 0.08 -0.10 0.00 0.00 175.22 175.20 1jkx s VAL 139 N -1.27 5.19 0.35 -0.44 1.01 0.18 -3.57 120.40 121.85 1jkx s VAL 139 Ca 0.46 0.75 0.03 0.00 0.00 0.00 0.00 61.98 63.23 1jkx s VAL 139 Cb -0.29 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1jkx s VAL 139 CO 0.36 0.25 0.10 0.42 0.00 0.00 0.00 175.10 176.24 1jkx s THR 140 N 1.27 0.80 -1.60 3.92 -4.23 0.82 -4.64 115.64 111.97 1jkx s THR 140 Ca 0.20 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.72 1jkx s THR 140 Cb -0.15 -2.56 0.04 0.00 1.34 0.00 0.00 72.50 71.17 1jkx s THR 140 CO 0.08 0.00 0.85 -0.90 -0.54 0.00 0.00 174.62 174.11 1jkx n ASP 141 N -0.93 0.62 -4.76 3.99 5.75 -1.26 -4.50 116.55 115.45 1jkx n ASP 141 Ca -0.03 -2.02 -0.29 0.00 -0.01 0.00 0.00 54.79 52.44 1jkx n ASP 141 Cb 0.66 -0.21 0.13 0.00 -1.03 0.00 0.00 41.12 40.67 1jkx n ASP 141 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1jkx s GLU 142 N -1.62 1.16 0.11 0.11 2.02 -1.26 -4.99 118.70 114.23 1jkx s GLU 142 Ca 0.03 0.25 -0.16 0.00 0.02 0.00 0.00 54.97 55.11 1jkx s GLU 142 Cb 0.02 -1.84 -0.04 0.00 0.10 0.00 0.00 34.13 32.36 1jkx s GLU 142 CO 0.01 -2.18 1.54 1.25 0.02 0.00 0.00 175.26 175.91 1jkx h LEU 143 N -1.48 0.62 -0.64 1.80 5.85 -2.01 -3.08 115.31 116.38 1jkx h LEU 143 Ca -0.50 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 57.90 1jkx h LEU 143 Cb 1.33 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1jkx h LEU 143 CO 0.61 0.80 0.00 -0.90 -0.34 0.00 0.00 178.44 178.61 1jkx n ASP 144 N -4.48 0.95 0.00 1.25 5.68 -1.26 -4.92 116.55 113.77 1jkx n ASP 144 Ca -0.02 -1.67 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 1jkx n ASP 144 Cb 0.29 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 1jkx n ASP 144 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jkx n GLY 145 N 0.94 3.18 0.00 6.12 0.00 -1.16 -4.97 105.19 109.30 1jkx n GLY 145 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1jkx n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jkx n GLY 146 N -2.00 3.36 3.71 -0.02 0.00 -1.25 -0.13 105.19 108.86 1jkx n GLY 146 Ca 0.00 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 1jkx n GLY 146 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1jkx s PRO 147 N -2.44 4.22 0.34 1.61 0.02 -1.23 -4.72 135.00 132.80 1jkx s PRO 147 Ca 0.00 2.33 -0.27 0.00 0.02 0.00 0.00 61.00 63.08 1jkx s PRO 147 Cb 0.00 -3.26 -0.09 0.00 0.02 0.00 0.00 34.50 31.17 1jkx s PRO 147 CO 0.00 -0.62 1.13 0.08 -0.33 0.00 0.00 177.00 177.26 1jkx s VAL 148 N 1.48 3.36 -0.23 3.83 1.01 -1.26 -1.39 120.40 127.20 1jkx s VAL 148 Ca 0.70 1.24 -0.07 0.00 0.00 0.00 0.00 61.98 63.85 1jkx s VAL 148 Cb -0.42 -3.73 -0.12 0.00 0.00 0.00 0.00 36.38 32.11 1jkx s VAL 148 CO 0.31 0.19 -0.26 -0.38 0.00 0.00 0.00 175.10 174.97 1jkx n ILE 149 N 0.58 1.26 -3.65 2.22 5.41 0.85 -3.94 119.36 122.09 1jkx n ILE 149 Ca 0.02 -0.38 -0.12 0.00 1.00 0.00 0.00 62.75 63.27 1jkx n ILE 149 Cb 0.46 -1.61 -0.08 0.00 -0.71 0.00 0.00 39.64 37.70 1jkx n ILE 149 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1jkx s LEU 150 N -6.89 -0.54 0.20 1.39 2.96 -1.12 -0.60 118.68 114.07 1jkx s LEU 150 Ca -0.31 1.32 0.11 0.00 -0.22 0.00 0.00 54.13 55.02 1jkx s LEU 150 Cb 0.11 2.19 -0.04 0.00 0.50 0.00 0.00 46.19 48.94 1jkx s LEU 150 CO 0.44 -0.22 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.93 1jkx s GLN 151 N 0.70 1.47 -0.05 1.98 -0.21 -1.26 -1.15 119.66 121.14 1jkx s GLN 151 Ca -0.03 -1.53 0.02 0.00 0.02 0.00 0.00 55.36 53.84 1jkx s GLN 151 Cb -0.05 -1.67 0.01 0.00 1.00 0.00 0.00 33.01 32.30 1jkx s GLN 151 CO -0.05 0.35 -0.09 0.00 -2.12 0.00 0.00 175.29 173.38 1jkx s ALA 152 N -1.94 1.01 0.16 6.09 0.00 -0.68 -5.00 121.76 121.40 1jkx s ALA 152 Ca 0.21 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 51.93 1jkx s ALA 152 Cb -0.07 -0.48 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 1jkx s ALA 152 CO 0.10 0.08 0.18 0.15 0.00 0.00 0.00 175.76 176.27 1jkx s LYS 153 N 0.68 3.06 0.01 0.00 1.02 -1.26 -1.59 119.74 121.66 1jkx s LYS 153 Ca -0.12 -0.78 0.00 0.00 0.02 0.00 0.00 55.97 55.09 1jkx s LYS 153 Cb -0.15 -2.75 -0.01 0.00 -0.52 0.00 0.00 37.83 34.41 1jkx s LYS 153 CO 0.02 0.50 -0.02 0.14 -0.92 0.00 0.00 175.35 175.07 1jkx s VAL 154 N -1.73 0.15 0.60 3.17 -7.23 0.13 -4.94 120.40 110.55 1jkx s VAL 154 Ca 0.32 -0.38 -0.15 0.00 -1.81 0.00 0.00 61.98 59.96 1jkx s VAL 154 Cb -0.10 -0.19 -0.04 0.00 0.56 0.00 0.00 36.38 36.61 1jkx s VAL 154 CO 0.25 -0.15 1.04 -2.16 -0.31 0.00 0.00 175.10 173.77 1jkx s PRO 155 N -0.56 3.39 -0.11 4.82 0.04 -1.26 -0.91 135.00 140.42 1jkx s PRO 155 Ca -0.05 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1jkx s PRO 155 Cb -0.04 -2.05 0.02 0.00 0.04 0.00 0.00 34.50 32.47 1jkx s PRO 155 CO -0.00 -0.74 -0.09 0.08 0.04 0.00 0.00 177.00 176.29 1jkx s VAL 156 N -2.64 1.07 0.43 -0.36 1.01 -0.06 -4.79 120.40 115.06 1jkx s VAL 156 Ca 0.61 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 62.33 1jkx s VAL 156 Cb -0.14 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1jkx s VAL 156 CO 0.40 0.37 0.36 -0.36 0.00 0.00 0.00 175.10 175.87 1jkx s PHE 157 N 1.51 2.56 0.26 5.22 0.08 -1.26 -4.65 117.98 121.69 1jkx s PHE 157 Ca 0.01 -0.55 -0.02 0.00 0.12 0.00 0.00 56.93 56.49 1jkx s PHE 157 Cb -0.13 -2.11 0.43 0.00 -0.57 0.00 0.00 43.02 40.64 1jkx s PHE 157 CO -0.06 -0.13 1.85 0.00 -0.10 0.00 0.00 175.22 176.78 1jkx h ALA 158 N 1.05 1.35 -0.53 5.36 0.00 -2.01 -3.07 119.26 121.41 1jkx h ALA 158 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1jkx h ALA 158 Cb 1.27 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1jkx h ALA 158 CO 0.59 0.29 0.00 0.41 0.00 0.00 0.00 179.25 180.54 1jkx n GLY 159 N -1.34 1.59 3.72 0.00 0.00 -1.26 -4.95 105.19 102.95 1jkx n GLY 159 Ca 0.16 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1jkx n GLY 159 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jkx s ASP 160 N -1.07 7.34 0.81 1.61 1.01 -1.16 -5.05 116.67 120.15 1jkx s ASP 160 Ca 0.38 1.83 -0.06 0.00 0.71 0.00 0.00 52.55 55.41 1jkx s ASP 160 Cb 0.20 -2.58 0.16 0.00 1.01 0.00 0.00 42.92 41.70 1jkx s ASP 160 CO 0.26 -0.24 1.11 -0.94 0.21 0.00 0.00 175.17 175.57 1jkx s SER 161 N 0.57 3.90 0.25 0.27 1.04 -1.26 -4.88 113.70 113.60 1jkx s SER 161 Ca 0.51 -0.19 -0.01 0.00 0.48 0.00 0.00 55.95 56.75 1jkx s SER 161 Cb -0.24 -0.05 0.32 0.00 0.10 0.00 0.00 66.02 66.14 1jkx s SER 161 CO 0.30 -2.18 1.69 -0.08 0.98 0.00 0.00 173.24 173.95 1jkx h GLU 162 N -0.91 0.63 -0.32 4.02 4.81 -1.96 -2.07 114.58 118.77 1jkx h GLU 162 Ca -0.39 -0.23 -0.12 0.00 -0.13 0.00 0.00 59.36 58.49 1jkx h GLU 162 Cb 1.25 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1jkx h GLU 162 CO 0.39 0.79 -0.30 -0.44 -0.73 0.00 0.00 179.01 178.72 1jkx h ASP 163 N 0.56 0.71 0.37 1.04 3.32 -1.98 -0.37 116.42 120.07 1jkx h ASP 163 Ca 0.08 -0.28 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 1jkx h ASP 163 Cb 0.67 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1jkx h ASP 163 CO 0.05 0.97 -0.18 0.44 -1.72 0.00 0.00 179.24 178.80 1jkx h ASP 164 N 0.59 -0.43 -0.37 6.45 3.32 -1.85 -1.53 116.42 122.60 1jkx h ASP 164 Ca 0.07 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1jkx h ASP 164 Cb 0.81 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 1jkx h ASP 164 CO 0.07 -0.21 0.12 -0.29 -1.72 0.00 0.00 179.24 177.21 1jkx h ILE 165 N -0.62 1.19 -0.26 0.35 6.09 -1.36 -1.75 117.51 121.15 1jkx h ILE 165 Ca -0.05 -0.66 -0.01 0.00 -1.37 0.00 0.00 64.86 62.77 1jkx h ILE 165 Cb 0.46 0.73 -0.01 0.00 0.47 0.00 0.00 36.82 38.46 1jkx h ILE 165 CO 0.08 0.24 0.11 0.74 -3.07 0.00 0.00 178.15 176.26 1jkx h THR 166 N 0.63 1.16 -0.62 2.19 2.02 -0.88 -1.54 112.91 115.87 1jkx h THR 166 Ca 0.15 -0.47 -0.09 0.00 0.77 0.00 0.00 66.41 66.77 1jkx h THR 166 Cb 0.22 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1jkx h THR 166 CO -0.01 0.16 0.05 0.00 0.37 0.00 0.00 175.52 176.09 1jkx h ALA 167 N 0.96 0.91 -0.61 6.16 0.00 -1.03 -1.97 119.26 123.68 1jkx h ALA 167 Ca 0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1jkx h ALA 167 Cb 0.15 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1jkx h ALA 167 CO -0.01 0.66 0.30 -0.09 0.00 0.00 0.00 179.25 180.11 1jkx h ARG 168 N 0.98 0.85 -0.07 0.00 2.43 -1.11 -2.07 114.38 115.39 1jkx h ARG 168 Ca 0.18 -0.10 -0.24 0.00 -0.81 0.00 0.00 59.98 59.02 1jkx h ARG 168 Cb 0.50 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1jkx h ARG 168 CO 0.02 0.65 -0.89 0.28 -1.51 0.00 0.00 179.97 178.52 1jkx h VAL 169 N 0.85 1.30 -0.03 0.20 2.07 -1.02 -3.18 116.25 116.44 1jkx h VAL 169 Ca 0.21 -2.14 -0.05 0.00 0.82 0.00 0.00 66.70 65.54 1jkx h VAL 169 Cb 0.07 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1jkx h VAL 169 CO -0.03 0.66 -0.21 1.56 0.02 0.00 0.00 177.57 179.58 1jkx h GLN 170 N 0.43 0.05 -0.78 1.57 4.20 -1.03 -1.30 115.11 118.24 1jkx h GLN 170 Ca -0.08 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.65 1jkx h GLN 170 Cb 1.52 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 29.25 1jkx h GLN 170 CO 0.17 0.25 0.49 1.15 -0.67 0.00 0.00 178.83 180.23 1jkx h THR 171 N 0.04 1.10 -0.42 -0.54 2.02 -1.36 -0.66 112.91 113.10 1jkx h THR 171 Ca 0.01 -0.33 -0.15 0.00 0.77 0.00 0.00 66.41 66.71 1jkx h THR 171 Cb 0.39 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1jkx h THR 171 CO 0.03 0.17 -0.33 1.56 0.37 0.00 0.00 175.52 177.32 1jkx h GLN 172 N 0.96 0.96 -0.39 6.66 1.08 -1.36 -3.18 115.11 119.84 1jkx h GLN 172 Ca 0.32 -0.48 0.03 0.00 -1.45 0.00 0.00 58.65 57.07 1jkx h GLN 172 Cb 0.03 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 1jkx h GLN 172 CO -0.12 1.14 0.19 0.93 -0.95 0.00 0.00 178.83 180.02 1jkx h GLU 173 N 0.80 0.37 0.00 1.46 5.08 -0.45 -0.22 114.58 121.62 1jkx h GLU 173 Ca 0.08 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1jkx h GLU 173 Cb 0.93 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1jkx h GLU 173 CO 0.09 0.25 0.00 0.45 -1.00 0.00 0.00 179.01 178.79 1jkx h HIS 174 N 0.38 0.00 0.00 4.33 3.86 -1.13 -1.24 115.15 121.35 1jkx h HIS 174 Ca 0.17 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.18 1jkx h HIS 174 Cb 0.09 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 1jkx h HIS 174 CO -0.11 0.00 -1.26 0.00 0.86 0.00 0.00 177.93 177.42 1jkx n ALA 175 N -2.02 0.77 0.15 2.45 0.00 -0.50 -4.44 120.51 116.92 1jkx n ALA 175 Ca -0.03 -0.59 0.01 0.00 0.00 0.00 0.00 53.44 52.83 1jkx n ALA 175 Cb 0.07 -0.26 0.19 0.00 0.00 0.00 0.00 19.45 19.45 1jkx n ALA 175 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1jkx h ILE 176 N -1.00 1.20 0.17 0.00 3.07 -0.90 -3.12 117.51 116.92 1jkx h ILE 176 Ca -0.30 -2.03 -0.01 0.00 1.55 0.00 0.00 64.86 64.07 1jkx h ILE 176 Cb 1.13 2.16 0.00 0.00 -0.27 0.00 0.00 36.82 39.85 1jkx h ILE 176 CO -0.18 0.54 -0.08 0.22 -1.05 0.00 0.00 178.15 177.60 1jkx h TYR 177 N 0.00 -0.21 -0.44 0.16 5.03 -1.47 0.16 116.97 120.20 1jkx h TYR 177 Ca -0.01 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 1jkx h TYR 177 Cb 1.12 0.07 -0.02 0.00 1.55 0.00 0.00 36.73 39.44 1jkx h TYR 177 CO 0.00 0.10 0.23 -1.35 -1.32 0.00 0.00 178.16 175.82 1jkx h PRO 178 N -0.52 0.59 -0.16 1.82 0.11 -1.78 -0.35 132.00 131.71 1jkx h PRO 178 Ca -0.02 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 1jkx h PRO 178 Cb 0.40 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1jkx h PRO 178 CO 0.04 0.45 0.08 1.25 -0.21 0.00 0.00 178.00 179.61 1jkx h LEU 179 N 0.60 0.20 -0.78 2.35 5.85 -1.44 0.77 115.31 122.87 1jkx h LEU 179 Ca 0.16 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1jkx h LEU 179 Cb 0.03 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1jkx h LEU 179 CO -0.02 0.25 0.42 0.58 -0.34 0.00 0.00 178.44 179.33 1jkx h VAL 180 N 0.15 1.23 -0.20 1.05 2.07 -0.40 -1.16 116.25 119.00 1jkx h VAL 180 Ca 0.06 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1jkx h VAL 180 Cb 0.09 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1jkx h VAL 180 CO -0.01 0.26 -0.12 0.40 0.02 0.00 0.00 177.57 178.12 1jkx h ILE 181 N 1.08 1.20 -0.37 4.57 2.04 -0.76 -1.80 117.51 123.47 1jkx h ILE 181 Ca 0.27 -0.86 -0.15 0.00 1.00 0.00 0.00 64.86 65.13 1jkx h ILE 181 Cb 0.04 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1jkx h ILE 181 CO -0.04 0.27 -0.35 0.77 0.00 0.00 0.00 178.15 178.80 1jkx h SER 182 N 0.30 0.91 -0.77 1.72 4.64 0.03 -0.15 113.55 120.24 1jkx h SER 182 Ca 0.06 -0.40 -0.01 0.00 -0.47 0.00 0.00 61.79 60.97 1jkx h SER 182 Cb 0.41 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.21 1jkx h SER 182 CO 0.02 1.17 0.44 -0.50 -0.87 0.00 0.00 176.83 177.09 1jkx h TRP 183 N 0.71 1.03 0.03 4.77 6.55 -0.68 -0.78 115.95 127.59 1jkx h TRP 183 Ca 0.07 -0.01 -0.00 0.00 0.95 0.00 0.00 58.89 59.89 1jkx h TRP 183 Cb 0.92 -0.33 0.00 0.00 -0.86 0.00 0.00 29.16 28.89 1jkx h TRP 183 CO 0.05 0.71 -0.01 0.35 -1.05 0.00 0.00 178.44 178.49 1jkx h PHE 184 N 1.05 -0.04 -0.80 0.49 3.57 -1.09 -0.63 116.94 119.50 1jkx h PHE 184 Ca 0.27 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.86 1jkx h PHE 184 Cb -0.00 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 1jkx h PHE 184 CO -0.00 0.18 0.52 0.00 -2.23 0.00 0.00 178.31 176.77 1jkx h ALA 185 N 0.72 1.71 -0.00 2.41 0.00 -0.75 -0.15 119.26 123.20 1jkx h ALA 185 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jkx h ALA 185 Cb 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1jkx h ALA 185 CO 0.01 0.14 -0.00 -0.25 0.00 0.00 0.00 179.25 179.14 1jkx n ASP 186 N -4.50 0.24 -0.41 0.00 8.00 -0.32 -4.90 116.55 114.66 1jkx n ASP 186 Ca 0.13 -1.06 -0.05 0.00 0.71 0.00 0.00 54.79 54.52 1jkx n ASP 186 Cb 0.29 -0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.36 1jkx n ASP 186 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jkx n GLY 187 N 1.04 0.79 0.09 0.44 0.00 -0.07 -4.91 105.19 102.57 1jkx n GLY 187 Ca 0.23 -0.77 0.09 0.00 0.00 0.00 0.00 46.02 45.57 1jkx n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jkx n ARG 188 N -2.79 0.62 -3.95 1.61 1.74 -0.27 -4.84 116.66 108.77 1jkx n ARG 188 Ca -0.05 0.08 -0.35 0.00 -0.77 0.00 0.00 57.85 56.75 1jkx n ARG 188 Cb 0.18 -1.77 -0.13 0.00 -1.02 0.00 0.00 32.46 29.73 1jkx n ARG 188 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1jkx s LEU 189 N -5.28 3.17 0.15 0.55 2.96 -1.10 0.28 118.68 119.41 1jkx s LEU 189 Ca -0.02 -0.27 0.06 0.00 -0.22 0.00 0.00 54.13 53.68 1jkx s LEU 189 Cb 0.10 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 1jkx s LEU 189 CO 0.82 0.01 -0.14 -0.54 -1.32 0.00 0.00 176.35 175.18 1jkx s LYS 190 N 1.30 1.12 -0.44 1.98 3.01 0.40 -4.69 119.74 122.42 1jkx s LYS 190 Ca 0.04 -1.37 0.03 0.00 -1.01 0.00 0.00 55.97 53.66 1jkx s LYS 190 Cb -0.15 -0.95 0.12 0.00 -1.01 0.00 0.00 37.83 35.84 1jkx s LYS 190 CO 0.01 0.17 0.19 1.41 0.51 0.00 0.00 175.35 177.63 1jkx s MET 191 N -3.08 1.63 -0.99 1.68 1.75 -1.26 -0.57 119.30 118.46 1jkx s MET 191 Ca 0.14 -2.20 -0.18 0.00 -1.25 0.00 0.00 55.69 52.20 1jkx s MET 191 Cb -0.03 -3.02 0.13 0.00 2.84 0.00 0.00 34.83 34.76 1jkx s MET 191 CO 0.04 -1.06 1.20 -1.01 -0.65 0.00 0.00 175.02 173.54 1jkx s HIS 192 N 0.28 3.15 0.00 4.11 3.76 -0.53 -4.77 115.29 121.29 1jkx s HIS 192 Ca 0.15 -1.50 0.00 0.00 -0.15 0.00 0.00 55.06 53.56 1jkx s HIS 192 Cb -0.23 -4.31 0.00 0.00 1.11 0.00 0.00 32.58 29.15 1jkx s HIS 192 CO -0.04 -1.50 0.00 0.39 -0.85 0.00 0.00 174.74 172.74 1jkx n GLU 193 N 6.52 -1.05 -2.35 1.40 -0.58 -1.26 -3.40 120.64 119.93 1jkx n GLU 193 Ca 0.27 1.05 -0.17 0.00 -0.42 0.00 0.00 57.16 57.88 1jkx n GLU 193 Cb 0.48 -0.74 -0.01 0.00 -0.57 0.00 0.00 31.44 30.60 1jkx n GLU 193 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1jkx n ASN 194 N 2.25 -5.09 -3.69 1.62 3.02 -1.26 -4.96 115.26 107.14 1jkx n ASN 194 Ca 0.00 0.09 -0.10 0.00 -0.03 0.00 0.00 54.58 54.54 1jkx n ASN 194 Cb 0.04 -4.29 -0.10 0.00 -0.61 0.00 0.00 39.78 34.82 1jkx n ASN 194 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jkx s ALA 195 N -2.85 -1.13 -0.18 5.41 0.00 -1.22 -4.66 121.76 117.14 1jkx s ALA 195 Ca 0.00 1.61 -0.15 0.00 0.00 0.00 0.00 51.96 53.42 1jkx s ALA 195 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 1jkx s ALA 195 CO 0.00 -0.30 0.37 0.00 0.00 0.00 0.00 175.76 175.83 1jkx s ALA 196 N 1.49 3.55 -0.13 0.00 0.00 -1.26 -1.46 121.76 123.95 1jkx s ALA 196 Ca -0.09 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.44 1jkx s ALA 196 Cb -0.08 -2.55 0.01 0.00 0.00 0.00 0.00 23.12 20.49 1jkx s ALA 196 CO -0.13 -0.13 -0.21 -1.58 0.00 0.00 0.00 175.76 173.71 1jkx s TRP 197 N 0.93 2.54 -0.16 0.00 0.52 0.27 -0.33 118.94 122.71 1jkx s TRP 197 Ca 0.19 -1.25 -0.00 0.00 0.02 0.00 0.00 56.10 55.05 1jkx s TRP 197 Cb -0.14 -1.74 -0.00 0.00 -1.15 0.00 0.00 33.47 30.43 1jkx s TRP 197 CO 0.07 -0.58 -0.14 -1.17 0.02 0.00 0.00 176.95 175.16 1jkx s LEU 198 N 0.80 2.55 -1.28 2.99 2.96 -0.45 -0.45 118.68 125.80 1jkx s LEU 198 Ca -0.08 -0.45 -0.06 0.00 -0.22 0.00 0.00 54.13 53.32 1jkx s LEU 198 Cb -0.16 -1.59 0.04 0.00 0.50 0.00 0.00 46.19 44.98 1jkx s LEU 198 CO -0.01 0.08 0.37 0.47 -1.32 0.00 0.00 176.35 175.94 1jkx n ASP 199 N 4.12 -4.24 -0.01 3.68 8.00 0.14 -0.64 116.55 127.60 1jkx n ASP 199 Ca -0.19 -0.21 -0.00 0.00 0.71 0.00 0.00 54.79 55.10 1jkx n ASP 199 Cb 0.52 -3.51 -0.00 0.00 -0.02 0.00 0.00 41.12 38.10 1jkx n ASP 199 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jkx n GLY 200 N -1.14 0.45 3.23 0.44 0.00 -1.26 -5.03 105.19 101.89 1jkx n GLY 200 Ca -0.07 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 1jkx n GLY 200 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jkx s GLN 201 N -0.93 3.19 0.00 1.61 -1.52 0.19 -5.08 119.66 117.12 1jkx s GLN 201 Ca 0.00 -0.74 -0.30 0.00 -1.95 0.00 0.00 55.36 52.37 1jkx s GLN 201 Cb 0.00 -2.71 -0.07 0.00 -0.22 0.00 0.00 33.01 30.02 1jkx s GLN 201 CO 0.00 -0.10 1.64 0.50 -0.25 0.00 0.00 175.29 177.07 1jkx s ARG 202 N 1.12 4.20 0.40 2.91 3.52 -1.26 -1.34 118.95 128.50 1jkx s ARG 202 Ca 0.01 2.23 -0.23 0.00 -0.13 0.00 0.00 55.73 57.61 1jkx s ARG 202 Cb -0.14 -3.80 -0.10 0.00 -1.56 0.00 0.00 34.95 29.35 1jkx s ARG 202 CO -0.05 -0.78 0.97 -0.51 -0.81 0.00 0.00 175.30 174.12 1jkx s LEU 203 N 3.33 4.06 0.95 -0.88 1.43 0.55 -4.95 118.68 123.17 1jkx s LEU 203 Ca 0.73 1.78 -0.14 0.00 -1.03 0.00 0.00 54.13 55.48 1jkx s LEU 203 Cb -0.36 -4.37 0.17 0.00 0.03 0.00 0.00 46.19 41.66 1jkx s LEU 203 CO 0.31 -0.33 1.17 -2.16 0.23 0.00 0.00 176.35 175.56 1jkx s PRO 204 N -2.82 0.79 0.53 1.29 0.04 -1.26 -4.72 135.00 128.85 1jkx s PRO 204 Ca 0.59 0.11 0.31 0.00 0.04 0.00 0.00 61.00 62.04 1jkx s PRO 204 Cb -0.13 -1.81 1.46 0.00 0.04 0.00 0.00 34.50 34.05 1jkx s PRO 204 CO 0.18 -2.40 1.89 -1.35 0.04 0.00 0.00 177.00 175.36 1jkx h PRO 205 N -1.64 0.02 -0.26 0.56 0.11 -1.97 0.11 132.00 128.92 1jkx h PRO 205 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1jkx h PRO 205 Cb 1.31 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1jkx h PRO 205 CO 0.54 0.01 0.00 1.04 -0.21 0.00 0.00 178.00 179.38 1jkx n GLN 206 N -4.28 2.01 0.00 1.05 1.13 -1.26 -4.34 117.38 111.68 1jkx n GLN 206 Ca 0.18 -1.53 0.00 0.00 -1.94 0.00 0.00 57.00 53.71 1jkx n GLN 206 Cb 0.93 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.86 1jkx n GLN 206 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jkx n GLY 207 N 1.26 -2.16 3.67 1.08 0.00 0.40 -4.05 105.19 105.37 1jkx n GLY 207 Ca 0.17 -1.70 -0.46 0.00 0.00 0.00 0.00 46.02 44.03 1jkx n GLY 207 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jkx n TYR 208 N -0.12 2.25 -0.32 1.61 9.36 0.23 -4.06 117.16 126.12 1jkx n TYR 208 Ca 0.00 0.25 0.00 0.00 3.32 0.00 0.00 57.90 61.47 1jkx n TYR 208 Cb 0.00 -2.55 0.00 0.00 -0.63 0.00 0.00 39.34 36.16 1jkx n TYR 208 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08