#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 6.19 -0.11 6.12 0.01 -1.26 -1.67 114.94 124.22 1jkx s ASN 2 Ca 0.00 0.21 -0.01 0.00 -0.71 0.00 0.00 52.86 52.34 1jkx s ASN 2 Cb 0.00 -2.15 -0.03 0.00 0.41 0.00 0.00 41.25 39.49 1jkx s ASN 2 CO 0.00 -0.01 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.90 1jkx s ILE 3 N 1.31 3.78 -0.13 0.60 1.01 0.37 -0.78 121.20 127.35 1jkx s ILE 3 Ca 0.11 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.36 1jkx s ILE 3 Cb -0.14 -2.60 0.01 0.00 0.01 0.00 0.00 42.46 39.73 1jkx s ILE 3 CO 0.07 0.55 -0.22 -0.69 0.00 0.00 0.00 174.94 174.64 1jkx s VAL 4 N -0.21 2.03 -0.11 2.92 1.01 -0.84 -0.54 120.40 124.65 1jkx s VAL 4 Ca 0.03 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 1jkx s VAL 4 Cb -0.13 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 1jkx s VAL 4 CO 0.03 0.55 -0.10 -0.69 0.00 0.00 0.00 175.10 174.89 1jkx s VAL 5 N 0.70 3.42 -0.14 2.92 1.01 -0.85 -0.57 120.40 126.89 1jkx s VAL 5 Ca -0.10 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 1jkx s VAL 5 Cb -0.16 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 1jkx s VAL 5 CO 0.01 0.55 -0.04 -0.76 0.00 0.00 0.00 175.10 174.85 1jkx s LEU 6 N -0.13 3.23 0.22 3.92 1.43 0.07 -0.76 118.68 126.66 1jkx s LEU 6 Ca 0.00 -0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1jkx s LEU 6 Cb -0.13 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1jkx s LEU 6 CO 0.03 0.20 0.13 0.27 0.23 0.00 0.00 176.35 177.21 1jkx s ILE 7 N 0.16 0.12 0.00 -0.59 -4.36 0.46 -0.85 121.20 116.15 1jkx s ILE 7 Ca -0.02 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 1jkx s ILE 7 Cb -0.14 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.04 1jkx s ILE 7 CO 0.03 0.00 0.00 -1.20 0.24 0.00 0.00 174.94 174.01 1jkx n SER 8 N -0.38 0.70 0.00 4.36 7.64 -0.80 -3.31 113.62 121.82 1jkx n SER 8 Ca 0.02 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1jkx n SER 8 Cb 0.66 0.16 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 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 0.37 4.63 0.26 0.23 0.00 -1.26 -4.54 105.19 104.89 1jkx n GLY 9 Ca 0.00 -0.68 0.04 0.00 0.00 0.00 0.00 46.02 45.38 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 0.13 -0.87 1.61 -0.73 -1.94 -1.82 115.58 111.97 1jkx h ASN 10 Ca 0.00 0.12 -0.05 0.00 1.87 0.00 0.00 56.30 58.24 1jkx h ASN 10 Cb 0.00 0.13 0.01 0.00 0.27 0.00 0.00 38.32 38.73 1jkx h ASN 10 CO 0.00 0.04 -0.07 0.61 -0.37 0.00 0.00 177.43 177.64 1jkx n GLY 11 N -1.33 0.50 0.24 1.57 0.00 -1.26 -2.22 105.19 102.69 1jkx n GLY 11 Ca 0.13 -0.69 -0.03 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.14 0.49 -0.46 1.61 4.64 -1.93 -1.30 113.55 116.47 1jkx h SER 12 Ca -0.06 -0.15 -0.11 0.00 -0.47 0.00 0.00 61.79 61.00 1jkx h SER 12 Cb 1.04 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.98 1jkx h SER 12 CO 0.07 0.70 -0.13 0.78 -0.87 0.00 0.00 176.83 177.38 1jkx h ASN 13 N 0.45 0.95 -0.60 4.97 2.35 -1.92 -1.58 115.58 120.20 1jkx h ASN 13 Ca 0.07 -0.31 0.03 0.00 -0.55 0.00 0.00 56.30 55.54 1jkx h ASN 13 Cb 0.60 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.68 1jkx h ASN 13 CO 0.04 1.08 0.36 0.25 -1.65 0.00 0.00 177.43 177.51 1jkx h LEU 14 N 0.84 0.58 -0.55 1.61 5.85 -1.72 -1.67 115.31 120.25 1jkx h LEU 14 Ca 0.13 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1jkx h LEU 14 Cb 0.68 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1jkx h LEU 14 CO 0.05 0.40 0.33 -0.61 -0.34 0.00 0.00 178.44 178.27 1jkx h GLN 15 N 0.71 0.74 -0.84 1.25 5.75 -0.76 0.08 115.11 122.04 1jkx h GLN 15 Ca 0.24 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.68 1jkx h GLN 15 Cb 0.04 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.39 1jkx h GLN 15 CO -0.11 0.54 0.56 0.00 -2.65 0.00 0.00 178.83 177.17 1jkx h ALA 16 N 1.16 1.40 -0.29 3.38 0.00 -0.87 0.15 119.26 124.19 1jkx h ALA 16 Ca 0.20 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1jkx h ALA 16 Cb -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1jkx h ALA 16 CO -0.04 0.56 -0.17 0.82 0.00 0.00 0.00 179.25 180.42 1jkx h ILE 17 N 1.14 1.30 -0.48 0.00 2.04 -0.72 -1.68 117.51 119.11 1jkx h ILE 17 Ca 0.31 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.88 1jkx h ILE 17 Cb -0.13 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1jkx h ILE 17 CO -0.07 0.41 0.31 0.40 0.00 0.00 0.00 178.15 179.20 1jkx h ILE 18 N 0.36 1.13 -0.90 -0.67 2.04 -0.43 -1.82 117.51 117.23 1jkx h ILE 18 Ca 0.06 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1jkx h ILE 18 Cb 0.70 0.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1jkx h ILE 18 CO 0.05 0.13 0.53 0.44 0.00 0.00 0.00 178.15 179.30 1jkx h ASP 19 N 0.65 1.08 0.69 1.72 3.32 -0.63 -1.88 116.42 121.37 1jkx h ASP 19 Ca 0.17 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 1jkx h ASP 19 Cb -0.05 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 1jkx h ASP 19 CO -0.04 0.84 -0.47 0.00 -1.72 0.00 0.00 179.24 177.85 1jkx h ALA 20 N 1.35 1.04 -0.23 3.45 0.00 -0.96 -2.52 119.26 121.38 1jkx h ALA 20 Ca 0.32 -0.42 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 1jkx h ALA 20 Cb -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1jkx h ALA 20 CO -0.06 0.58 -0.63 0.00 0.00 0.00 0.00 179.25 179.14 1jkx h LYS 22 N 0.60 0.52 -0.01 0.00 3.64 -1.12 -1.34 116.57 118.86 1jkx h LYS 22 Ca -0.01 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1jkx h LYS 22 Cb 1.25 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1jkx h LYS 22 CO 0.14 0.57 -0.14 0.25 -2.27 0.00 0.00 179.45 177.99 1jkx n THR 23 N -4.27 0.00 -1.13 1.00 -2.24 -0.97 -4.91 114.28 101.76 1jkx n THR 23 Ca 0.01 -0.10 -0.05 0.00 -2.27 0.00 0.00 64.05 61.65 1jkx n THR 23 Cb 0.26 0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.56 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 -0.76 -4.09 -0.15 3.42 5.15 -0.51 -4.86 115.26 113.45 1jkx n ASN 24 Ca 0.14 0.11 -0.03 0.00 -0.60 0.00 0.00 54.58 54.21 1jkx n ASN 24 Cb 0.30 -2.00 0.18 0.00 -0.53 0.00 0.00 39.78 37.73 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 0.27 0.88 -4.91 1.20 3.11 -0.88 -3.33 116.57 112.91 1jkx h LYS 25 Ca -0.09 -0.17 -0.66 0.00 -2.81 0.00 0.00 60.65 56.92 1jkx h LYS 25 Cb 0.48 -0.14 -0.23 0.00 -1.00 0.00 0.00 32.23 31.34 1jkx h LYS 25 CO 0.14 0.77 -0.62 0.42 -2.81 0.00 0.00 179.45 177.34 1jkx s ILE 26 N -5.29 4.26 -1.41 2.00 1.01 -0.56 -4.82 121.20 116.38 1jkx s ILE 26 Ca -0.10 -0.28 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 1jkx s ILE 26 Cb 0.16 -3.04 0.08 0.00 0.01 0.00 0.00 42.46 39.67 1jkx s ILE 26 CO 0.80 0.28 2.17 0.29 0.00 0.00 0.00 174.94 178.48 1jkx n LYS 27 N 4.92 3.22 -2.02 2.79 5.02 -1.25 -4.35 118.16 126.48 1jkx n LYS 27 Ca -0.16 -2.90 0.00 0.00 -2.02 0.00 0.00 58.31 53.23 1jkx n LYS 27 Cb 0.51 -3.12 0.00 0.00 -0.02 0.00 0.00 35.03 32.40 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 3.56 0.84 3.05 0.72 0.00 -1.26 -4.52 105.19 107.58 1jkx n GLY 28 Ca 0.50 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.29 0.09 -0.43 2.61 2.01 -0.67 -4.71 115.64 112.25 1jkx s THR 29 Ca 0.04 -0.76 -0.24 0.00 0.31 0.00 0.00 61.69 61.05 1jkx s THR 29 Cb -0.00 -0.35 0.02 0.00 0.01 0.00 0.00 72.50 72.18 1jkx s THR 29 CO 0.00 -0.42 0.83 -0.69 -0.69 0.00 0.00 174.62 173.66 1jkx s VAL 30 N -1.36 4.61 -0.13 3.82 1.01 -1.26 -0.48 120.40 126.61 1jkx s VAL 30 Ca -0.15 0.65 0.15 0.00 0.00 0.00 0.00 61.98 62.64 1jkx s VAL 30 Cb -0.08 -4.33 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 1jkx s VAL 30 CO 0.00 -0.68 1.21 0.03 0.00 0.00 0.00 175.10 175.66 1jkx h ARG 31 N 8.88 0.00 -2.13 2.72 2.47 -1.19 -3.47 114.38 121.66 1jkx h ARG 31 Ca -0.24 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.52 1jkx h ARG 31 Cb 1.08 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 29.23 1jkx h ARG 31 CO 0.97 0.45 0.39 0.00 0.56 0.00 0.00 179.97 182.34 1jkx s ALA 32 N -2.94 -1.81 -0.07 0.04 0.00 -1.24 -3.90 121.76 111.84 1jkx s ALA 32 Ca 0.01 1.16 0.03 0.00 0.00 0.00 0.00 51.96 53.16 1jkx s ALA 32 Cb 0.08 0.08 0.01 0.00 0.00 0.00 0.00 23.12 23.29 1jkx s ALA 32 CO 0.77 -0.52 -0.15 0.08 0.00 0.00 0.00 175.76 175.94 1jkx s VAL 33 N -2.21 1.35 0.02 0.00 1.01 -0.07 -2.01 120.40 118.50 1jkx s VAL 33 Ca -0.01 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.42 1jkx s VAL 33 Cb -0.01 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 1jkx s VAL 33 CO -0.02 0.40 -0.18 -0.36 0.00 0.00 0.00 175.10 174.94 1jkx s PHE 34 N 0.58 2.57 0.02 5.22 0.40 0.06 -1.00 117.98 125.83 1jkx s PHE 34 Ca -0.15 -0.25 -0.03 0.00 -0.60 0.00 0.00 56.93 55.90 1jkx s PHE 34 Cb -0.16 -1.49 -0.01 0.00 0.51 0.00 0.00 43.02 41.86 1jkx s PHE 34 CO 0.05 0.23 0.03 0.45 0.70 0.00 0.00 175.22 176.68 1jkx s SER 35 N -1.29 0.18 0.00 1.36 0.15 -0.47 -0.40 113.70 113.23 1jkx s SER 35 Ca 0.14 -0.43 0.22 0.00 0.70 0.00 0.00 55.95 56.58 1jkx s SER 35 Cb -0.10 0.15 0.41 0.00 -1.71 0.00 0.00 66.02 64.77 1jkx s SER 35 CO 0.04 -0.35 1.38 -0.46 1.20 0.00 0.00 173.24 175.05 1jkx n ASN 36 N 1.42 3.43 -3.88 5.45 2.04 -1.21 -1.63 115.26 120.88 1jkx n ASN 36 Ca -0.23 -1.98 -0.25 0.00 -0.44 0.00 0.00 54.58 51.68 1jkx n ASN 36 Cb 0.56 -0.25 -0.17 0.00 -2.53 0.00 0.00 39.78 37.39 1jkx n ASN 36 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 1jkx s LYS 37 N -1.44 1.26 0.56 -3.83 -0.14 -1.26 -4.57 119.74 110.31 1jkx s LYS 37 Ca 0.38 -0.17 0.31 0.00 -1.36 0.00 0.00 55.97 55.12 1jkx s LYS 37 Cb 0.22 -1.36 1.64 0.00 -1.68 0.00 0.00 37.83 36.65 1jkx s LYS 37 CO 0.31 -0.23 2.14 0.00 -0.76 0.00 0.00 175.35 176.80 1jkx h ALA 38 N 8.01 1.26 -0.42 5.17 0.00 -1.94 -2.84 119.26 128.50 1jkx h ALA 38 Ca -0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.56 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 0.38 0.09 0.00 -0.25 0.00 0.00 0.00 179.25 179.48 1jkx n ASP 39 N -3.55 2.76 -4.68 0.00 8.00 -1.26 -4.95 116.55 112.87 1jkx n ASP 39 Ca -0.02 -1.93 -0.42 0.00 0.71 0.00 0.00 54.79 53.13 1jkx n ASP 39 Cb 0.20 -0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 1jkx n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jkx s ALA 40 N -1.45 3.71 0.47 2.24 0.00 -1.07 -4.85 121.76 120.80 1jkx s ALA 40 Ca 0.36 1.36 0.24 0.00 0.00 0.00 0.00 51.96 53.92 1jkx s ALA 40 Cb 0.20 -3.77 1.42 0.00 0.00 0.00 0.00 23.12 20.97 1jkx s ALA 40 CO 0.27 -1.29 2.10 0.35 0.00 0.00 0.00 175.76 177.19 1jkx h PHE 41 N 9.01 0.00 -0.32 0.00 3.57 -1.76 -1.71 116.94 125.74 1jkx h PHE 41 Ca -0.46 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.13 1jkx h PHE 41 Cb 1.22 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1jkx h PHE 41 CO 0.83 0.10 0.26 0.78 -2.23 0.00 0.00 178.31 178.05 1jkx h GLY 42 N 0.52 0.00 1.78 2.40 0.00 -0.86 0.25 103.07 107.17 1jkx h GLY 42 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 1jkx h GLY 42 CO 0.01 0.00 -0.29 1.41 0.00 0.00 0.00 176.54 177.67 1jkx h LEU 43 N 0.00 0.26 -0.26 3.11 3.38 -1.58 -2.13 115.31 118.09 1jkx h LEU 43 Ca 0.15 -0.08 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 1jkx h LEU 43 Cb 0.67 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1jkx h LEU 43 CO -0.00 0.55 -0.41 -0.08 0.09 0.00 0.00 178.44 178.59 1jkx h GLU 44 N 0.23 0.74 -0.87 1.13 4.57 -0.65 -1.76 114.58 117.97 1jkx h GLU 44 Ca 0.03 -0.45 0.04 0.00 -1.18 0.00 0.00 59.36 57.81 1jkx h GLU 44 Cb 0.64 0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 29.22 1jkx h GLU 44 CO 0.05 1.07 0.56 0.00 -1.18 0.00 0.00 179.01 179.51 1jkx h ARG 45 N 0.48 1.03 -0.32 1.92 3.08 -1.13 -0.69 114.38 118.74 1jkx h ARG 45 Ca 0.02 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1jkx h ARG 45 Cb 1.01 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 1jkx h ARG 45 CO 0.09 0.68 -0.08 0.00 -1.07 0.00 0.00 179.97 179.60 1jkx h ALA 46 N 1.38 0.44 -0.57 0.04 0.00 -1.29 -2.64 119.26 116.63 1jkx h ALA 46 Ca 0.36 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jkx h ALA 46 Cb 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1jkx h ALA 46 CO -0.13 0.28 0.36 0.00 0.00 0.00 0.00 179.25 179.75 1jkx h ARG 47 N 0.40 0.76 0.00 0.00 3.08 -0.75 0.73 114.38 118.60 1jkx h ARG 47 Ca 0.08 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1jkx h ARG 47 Cb 0.58 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1jkx h ARG 47 CO 0.03 0.53 0.00 -0.56 -1.07 0.00 0.00 179.97 178.90 1jkx h GLN 48 N 0.76 0.00 -0.05 0.04 3.07 -1.13 -1.71 115.11 116.09 1jkx h GLN 48 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.95 1jkx h GLN 48 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.51 1jkx h GLN 48 CO -0.04 0.00 0.00 0.00 0.09 0.00 0.00 178.83 178.88 1jkx n ALA 49 N -1.81 2.49 -1.59 0.06 0.00 -0.54 -4.94 120.51 114.18 1jkx n ALA 49 Ca 0.02 -0.63 -0.06 0.00 0.00 0.00 0.00 53.44 52.77 1jkx n ALA 49 Cb 0.25 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 18.76 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 1.30 0.51 3.78 0.00 0.00 -0.64 -5.03 105.19 105.11 1jkx n GLY 50 Ca 0.16 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.24 5.41 0.37 -0.61 1.01 0.14 -5.01 121.20 120.27 1jkx s ILE 51 Ca 0.00 0.28 -0.28 0.00 0.00 0.00 0.00 60.65 60.65 1jkx s ILE 51 Cb 0.00 -3.48 -0.11 0.00 0.01 0.00 0.00 42.46 38.88 1jkx s ILE 51 CO 0.00 0.50 1.42 0.00 0.00 0.00 0.00 174.94 176.86 1jkx n ALA 52 N 2.97 2.02 -2.50 9.38 0.00 -1.25 -4.13 120.51 127.00 1jkx n ALA 52 Ca -0.17 0.34 -0.25 0.00 0.00 0.00 0.00 53.44 53.36 1jkx n ALA 52 Cb 0.53 -2.37 -0.13 0.00 0.00 0.00 0.00 19.45 17.49 1jkx n ALA 52 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jkx s THR 53 N -1.12 1.86 -0.05 0.00 -4.23 -1.26 -0.89 115.64 109.95 1jkx s THR 53 Ca 0.55 -1.63 -0.04 0.00 -1.18 0.00 0.00 61.69 59.38 1jkx s THR 53 Cb -0.50 -1.69 0.01 0.00 1.34 0.00 0.00 72.50 71.66 1jkx s THR 53 CO 0.63 -0.04 0.13 -1.00 -0.54 0.00 0.00 174.62 173.80 1jkx s HIS 54 N -1.21 -0.14 -0.08 3.99 3.76 -0.17 -4.94 115.29 116.50 1jkx s HIS 54 Ca 0.09 0.36 0.02 0.00 -0.15 0.00 0.00 55.06 55.38 1jkx s HIS 54 Cb -0.10 0.04 0.01 0.00 1.11 0.00 0.00 32.58 33.65 1jkx s HIS 54 CO 0.05 -0.07 -0.15 0.99 -0.85 0.00 0.00 174.74 174.70 1jkx s THR 55 N 0.13 1.40 -0.22 1.30 2.01 -1.26 -1.37 115.64 117.63 1jkx s THR 55 Ca -0.01 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.39 1jkx s THR 55 Cb -0.02 -1.26 0.04 0.00 0.01 0.00 0.00 72.50 71.28 1jkx s THR 55 CO -0.00 0.42 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.45 1jkx s LEU 56 N 0.69 2.76 -0.16 4.42 1.02 -0.64 -4.99 118.68 121.78 1jkx s LEU 56 Ca -0.13 -1.04 -0.15 0.00 0.02 0.00 0.00 54.13 52.82 1jkx s LEU 56 Cb -0.16 -1.45 -0.04 0.00 0.02 0.00 0.00 46.19 44.56 1jkx s LEU 56 CO 0.03 -0.12 0.35 -0.63 0.02 0.00 0.00 176.35 176.00 1jkx s ILE 57 N 1.23 5.26 0.34 -0.59 -1.09 -1.26 -4.25 121.20 120.84 1jkx s ILE 57 Ca -0.03 0.66 0.10 0.00 -2.23 0.00 0.00 60.65 59.15 1jkx s ILE 57 Cb -0.17 -3.69 0.33 0.00 -1.58 0.00 0.00 42.46 37.35 1jkx s ILE 57 CO -0.08 0.35 1.79 0.00 -1.23 0.00 0.00 174.94 175.77 1jkx h ALA 58 N 6.81 1.84 0.00 9.38 0.00 -1.94 -1.06 119.26 134.29 1jkx h ALA 58 Ca -0.40 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1jkx h ALA 58 Cb 1.17 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1jkx h ALA 58 CO 0.75 -0.21 -0.01 0.66 0.00 0.00 0.00 179.25 180.44 1jkx h SER 59 N 0.65 0.00 0.34 0.00 4.64 -1.98 -1.33 113.55 115.87 1jkx h SER 59 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 1jkx h SER 59 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1jkx h SER 59 CO -0.34 0.01 -0.03 0.00 -0.87 0.00 0.00 176.83 175.60 1jkx n ALA 60 N -2.13 2.63 -2.43 5.18 0.00 -0.40 -4.81 120.51 118.54 1jkx n ALA 60 Ca -0.02 -0.21 -0.27 0.00 0.00 0.00 0.00 53.44 52.93 1jkx n ALA 60 Cb 0.12 -1.44 -0.13 0.00 0.00 0.00 0.00 19.45 18.00 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 -2.37 2.11 -2.17 0.00 0.08 -0.50 -5.04 117.98 110.08 1jkx s PHE 61 Ca 0.34 -0.40 0.21 0.00 0.12 0.00 0.00 56.93 57.21 1jkx s PHE 61 Cb 0.21 -1.18 0.54 0.00 -0.57 0.00 0.00 43.02 42.02 1jkx s PHE 61 CO 0.44 0.23 1.46 -0.25 -0.10 0.00 0.00 175.22 177.00 1jkx n ASP 62 N 1.26 3.32 -3.56 1.36 8.00 -1.26 -4.96 116.55 120.71 1jkx n ASP 62 Ca -0.18 -1.97 -0.08 0.00 0.71 0.00 0.00 54.79 53.26 1jkx n ASP 62 Cb 0.53 -0.35 -0.04 0.00 -0.02 0.00 0.00 41.12 41.24 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 -1.20 -0.32 0.37 -2.24 1.04 -1.26 -5.01 113.70 105.09 1jkx s SER 63 Ca 0.41 0.20 0.06 0.00 0.48 0.00 0.00 55.95 57.10 1jkx s SER 63 Cb 0.22 0.29 0.73 0.00 0.10 0.00 0.00 66.02 67.36 1jkx s SER 63 CO 0.30 -0.40 1.95 0.03 0.98 0.00 0.00 173.24 176.11 1jkx h ARG 64 N 2.27 0.49 -0.44 4.02 3.08 -1.98 -2.29 114.38 119.54 1jkx h ARG 64 Ca -0.18 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.76 1jkx h ARG 64 Cb 1.19 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.13 1jkx h ARG 64 CO 0.29 0.45 0.12 0.93 -1.07 0.00 0.00 179.97 180.70 1jkx h GLU 65 N 0.49 0.69 -0.69 0.04 3.07 -1.99 -1.81 114.58 114.38 1jkx h GLU 65 Ca 0.12 -0.16 -0.07 0.00 -0.50 0.00 0.00 59.36 58.75 1jkx h GLU 65 Cb 0.18 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 27.97 1jkx h GLU 65 CO -0.00 0.68 0.14 0.00 -1.40 0.00 0.00 179.01 178.43 1jkx h ALA 66 N 0.98 0.95 0.15 3.43 0.00 -1.86 -0.38 119.26 122.52 1jkx h ALA 66 Ca 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1jkx h ALA 66 Cb 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1jkx h ALA 66 CO -0.00 0.67 -0.07 -0.92 0.00 0.00 0.00 179.25 178.92 1jkx h TYR 67 N 1.05 -0.18 -0.13 0.00 5.03 -1.27 -2.07 116.97 119.41 1jkx h TYR 67 Ca 0.21 -0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.47 1jkx h TYR 67 Cb 0.40 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.73 1jkx h TYR 67 CO 0.03 -0.01 -0.16 -0.44 -1.32 0.00 0.00 178.16 176.26 1jkx h ASP 68 N -0.32 0.20 -0.52 -2.11 5.19 -1.24 0.15 116.42 117.76 1jkx h ASP 68 Ca -0.02 -0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.32 1jkx h ASP 68 Cb 0.26 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 1jkx h ASP 68 CO 0.03 0.38 0.23 -0.09 -3.12 0.00 0.00 179.24 176.68 1jkx h ARG 69 N 0.20 0.76 -0.11 3.56 2.43 -0.84 -0.09 114.38 120.29 1jkx h ARG 69 Ca 0.04 -0.12 -0.20 0.00 -0.81 0.00 0.00 59.98 58.89 1jkx h ARG 69 Cb 0.41 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1jkx h ARG 69 CO 0.03 0.65 -0.74 1.49 -1.51 0.00 0.00 179.97 179.88 1jkx h GLU 70 N 0.70 0.56 -0.47 0.20 4.57 -0.93 -2.22 114.58 116.98 1jkx h GLU 70 Ca 0.18 -0.45 -0.01 0.00 -1.18 0.00 0.00 59.36 57.90 1jkx h GLU 70 Cb 0.15 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1jkx h GLU 70 CO -0.02 1.07 0.27 1.25 -1.18 0.00 0.00 179.01 180.41 1jkx h LEU 71 N 0.38 0.57 -0.46 1.64 5.85 -0.68 -0.74 115.31 121.88 1jkx h LEU 71 Ca -0.04 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 1jkx h LEU 71 Cb 1.33 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1jkx h LEU 71 CO 0.14 0.48 0.14 0.40 -0.34 0.00 0.00 178.44 179.25 1jkx h ILE 72 N 0.62 1.22 -0.30 4.05 2.04 -1.01 -0.66 117.51 123.49 1jkx h ILE 72 Ca 0.17 -0.75 0.04 0.00 1.00 0.00 0.00 64.86 65.32 1jkx h ILE 72 Cb 0.02 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 1jkx h ILE 72 CO -0.03 0.27 0.06 -0.74 0.00 0.00 0.00 178.15 177.71 1jkx h HIS 73 N 0.61 0.10 -0.19 1.37 2.76 -1.02 -0.85 115.15 117.91 1jkx h HIS 73 Ca 0.15 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.22 1jkx h HIS 73 Cb 0.27 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.23 1jkx h HIS 73 CO 0.01 0.02 -0.31 0.93 -1.30 0.00 0.00 177.93 177.28 1jkx h GLU 74 N 0.17 0.55 -0.31 5.26 4.39 -1.04 -3.26 114.58 120.34 1jkx h GLU 74 Ca 0.14 -0.34 0.01 0.00 0.34 0.00 0.00 59.36 59.51 1jkx h GLU 74 Cb 0.15 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1jkx h GLU 74 CO -0.18 0.94 0.19 0.82 -1.16 0.00 0.00 179.01 179.62 1jkx h ILE 75 N 0.22 1.05 0.00 3.13 2.04 -0.98 -2.67 117.51 120.30 1jkx h ILE 75 Ca 0.02 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1jkx h ILE 75 Cb 0.90 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1jkx h ILE 75 CO 0.07 0.07 0.00 0.44 0.00 0.00 0.00 178.15 178.73 1jkx h ASP 76 N 0.38 0.00 0.52 1.72 3.32 -1.22 -1.22 116.42 119.93 1jkx h ASP 76 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1jkx h ASP 76 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1jkx h ASP 76 CO -0.05 0.00 0.00 0.24 -1.72 0.00 0.00 179.24 177.71 1jkx h MET 77 N 0.00 0.00 -0.15 3.56 2.86 -1.51 -1.19 114.93 118.50 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 -2.73 0.17 -3.82 -0.22 4.01 -0.46 -5.00 117.16 109.10 1jkx n TYR 78 Ca -0.00 -0.08 -0.32 0.00 -0.16 0.00 0.00 57.90 57.33 1jkx n TYR 78 Cb 0.18 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.23 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 1.22 -2.67 -1.77 -0.72 0.00 -0.45 -4.88 120.51 111.24 1jkx n ALA 79 Ca 0.16 -0.37 -0.40 0.00 0.00 0.00 0.00 53.44 52.84 1jkx n ALA 79 Cb 0.56 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.85 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 -5.93 4.37 0.09 0.00 0.04 -1.26 -4.67 135.00 127.64 1jkx s PRO 80 Ca 0.28 1.92 0.21 0.00 0.04 0.00 0.00 61.00 63.44 1jkx s PRO 80 Cb -0.13 -2.98 -0.13 0.00 0.04 0.00 0.00 34.50 31.30 1jkx s PRO 80 CO 0.91 -0.07 0.80 -0.25 0.04 0.00 0.00 177.00 178.42 1jkx n ASP 81 N 0.69 0.61 -3.71 6.66 8.00 0.04 -4.91 116.55 123.94 1jkx n ASP 81 Ca 0.01 0.25 -0.13 0.00 0.71 0.00 0.00 54.79 55.63 1jkx n ASP 81 Cb 0.45 0.75 -0.10 0.00 -0.02 0.00 0.00 41.12 42.20 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 -3.23 -0.00 -0.19 2.53 0.11 -1.15 -4.83 120.40 113.63 1jkx s VAL 82 Ca -0.03 0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.01 1jkx s VAL 82 Cb 0.10 -0.66 -0.01 0.00 -1.53 0.00 0.00 36.38 34.29 1jkx s VAL 82 CO 0.83 0.01 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.83 1jkx s VAL 83 N 0.51 3.14 -0.22 2.04 1.01 0.06 -2.00 120.40 124.95 1jkx s VAL 83 Ca -0.02 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 1jkx s VAL 83 Cb -0.04 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 1jkx s VAL 83 CO -0.03 0.46 -0.02 -0.69 0.00 0.00 0.00 175.10 174.83 1jkx s VAL 84 N 1.19 3.61 -0.31 2.92 1.01 0.27 -0.90 120.40 128.20 1jkx s VAL 84 Ca 0.02 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.39 1jkx s VAL 84 Cb -0.14 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 1jkx s VAL 84 CO -0.03 0.41 0.62 -0.76 0.00 0.00 0.00 175.10 175.35 1jkx s LEU 85 N 1.40 4.15 -0.54 3.92 1.43 0.10 -0.75 118.68 128.38 1jkx s LEU 85 Ca 0.05 0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.60 1jkx s LEU 85 Cb -0.14 -2.80 0.17 0.00 0.03 0.00 0.00 46.19 43.44 1jkx s LEU 85 CO -0.01 -0.48 0.40 0.00 0.23 0.00 0.00 176.35 176.49 1jkx s ALA 86 N 2.60 2.53 0.00 4.21 0.00 -0.03 -3.47 121.76 127.59 1jkx s ALA 86 Ca 0.25 -3.07 0.00 0.00 0.00 0.00 0.00 51.96 49.14 1jkx s ALA 86 Cb -0.15 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1jkx s ALA 86 CO 0.12 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.25 1jkx n GLY 87 N 2.55 0.65 3.60 0.00 0.00 -1.26 -4.41 105.19 106.31 1jkx n GLY 87 Ca 0.23 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 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 3.05 -0.63 1.61 5.36 -1.25 -1.91 117.98 122.21 1jkx s PHE 88 Ca 0.00 0.68 -0.01 0.00 -0.96 0.00 0.00 56.93 56.64 1jkx s PHE 88 Cb 0.00 -3.68 0.45 0.00 -0.34 0.00 0.00 43.02 39.45 1jkx s PHE 88 CO 0.00 -0.86 1.96 -1.33 -1.46 0.00 0.00 175.22 173.53 1jkx n MET 89 N 6.80 2.78 -4.51 10.12 2.81 -1.26 -4.90 117.12 128.96 1jkx n MET 89 Ca 0.06 -3.37 -0.24 0.00 -1.81 0.00 0.00 57.70 52.34 1jkx n MET 89 Cb 0.48 -2.29 -0.17 0.00 -0.71 0.00 0.00 33.22 30.54 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 -3.81 1.64 0.25 0.03 3.52 -1.26 -5.11 118.95 114.21 1jkx s ARG 90 Ca 0.64 -0.38 -0.30 0.00 -0.13 0.00 0.00 55.73 55.55 1jkx s ARG 90 Cb 0.50 -1.38 -0.11 0.00 -1.56 0.00 0.00 34.95 32.40 1jkx s ARG 90 CO -0.01 -0.00 1.55 0.42 -0.81 0.00 0.00 175.30 176.45 1jkx s ILE 91 N 0.75 2.34 -0.21 4.11 1.01 -1.26 -4.99 121.20 122.95 1jkx s ILE 91 Ca -0.13 0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.69 1jkx s ILE 91 Cb -0.15 -3.17 -0.05 0.00 0.01 0.00 0.00 42.46 39.09 1jkx s ILE 91 CO 0.03 0.04 0.17 -0.76 0.00 0.00 0.00 174.94 174.42 1jkx s LEU 92 N -0.07 4.17 0.94 2.97 1.43 -1.26 -5.08 118.68 121.78 1jkx s LEU 92 Ca 0.64 0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 53.85 1jkx s LEU 92 Cb -0.45 -2.15 0.11 0.00 0.03 0.00 0.00 46.19 43.73 1jkx s LEU 92 CO 0.42 0.11 0.89 -1.54 0.23 0.00 0.00 176.35 176.47 1jkx n SER 93 N 3.91 -0.52 0.04 2.29 3.41 -1.26 -4.71 113.62 116.78 1jkx n SER 93 Ca -0.15 0.38 0.09 0.00 -0.26 0.00 0.00 58.87 58.93 1jkx n SER 93 Cb 0.52 -1.38 0.52 0.00 -0.26 0.00 0.00 64.21 63.61 1jkx n SER 93 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1jkx h PRO 94 N -1.81 0.32 -0.45 4.33 0.11 -1.99 -1.48 132.00 131.03 1jkx h PRO 94 Ca -0.43 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1jkx h PRO 94 Cb 1.28 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1jkx h PRO 94 CO 0.39 0.21 0.21 0.00 -0.21 0.00 0.00 178.00 178.60 1jkx h ALA 95 N 1.79 0.59 -0.24 -0.75 0.00 -1.99 -0.08 119.26 118.57 1jkx h ALA 95 Ca 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1jkx h ALA 95 Cb 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1jkx h ALA 95 CO -0.04 0.16 0.08 0.35 0.00 0.00 0.00 179.25 179.80 1jkx h PHE 96 N 0.59 0.39 -0.69 0.00 3.04 -1.63 0.06 116.94 118.70 1jkx h PHE 96 Ca 0.16 -0.04 0.03 0.00 3.98 0.00 0.00 57.97 62.10 1jkx h PHE 96 Cb 0.13 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 38.49 1jkx h PHE 96 CO -0.01 0.44 0.42 0.28 -2.02 0.00 0.00 178.31 177.42 1jkx h VAL 97 N 0.23 1.08 -0.48 1.41 2.07 -1.18 -2.25 116.25 117.12 1jkx h VAL 97 Ca 0.08 -0.28 -0.13 0.00 0.82 0.00 0.00 66.70 67.18 1jkx h VAL 97 Cb 0.23 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1jkx h VAL 97 CO -0.00 0.15 -0.21 -1.28 0.02 0.00 0.00 177.57 176.24 1jkx h SER 98 N 0.82 1.02 -0.85 0.57 0.87 -0.80 -1.66 113.55 113.53 1jkx h SER 98 Ca 0.28 -0.39 0.03 0.00 -1.23 0.00 0.00 61.79 60.48 1jkx h SER 98 Cb 0.04 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 61.67 1jkx h SER 98 CO -0.12 1.19 0.56 -0.74 -0.53 0.00 0.00 176.83 177.19 1jkx h HIS 99 N 0.86 1.03 -0.45 2.24 6.17 -0.53 -2.43 115.15 122.04 1jkx h HIS 99 Ca 0.11 0.03 -0.21 0.00 0.71 0.00 0.00 60.37 61.00 1jkx h HIS 99 Cb 0.79 -0.35 -0.13 0.00 2.52 0.00 0.00 27.41 30.25 1jkx h HIS 99 CO 0.05 0.62 0.06 0.66 0.71 0.00 0.00 177.93 180.03 1jkx n TYR 100 N -4.43 1.43 -1.69 5.26 4.01 -0.89 -5.03 117.16 115.81 1jkx n TYR 100 Ca 0.11 -1.54 -0.44 0.00 -0.16 0.00 0.00 57.90 55.87 1jkx n TYR 100 Cb 0.08 -0.55 -0.03 0.00 -0.31 0.00 0.00 39.34 38.53 1jkx n TYR 100 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1jkx n ALA 101 N -1.02 1.83 -0.20 -0.72 0.00 -0.63 -1.31 120.51 118.46 1jkx n ALA 101 Ca 0.36 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.22 1jkx n ALA 101 Cb 1.13 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1jkx n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jkx n GLY 102 N 3.05 2.23 1.91 0.00 0.00 -1.26 -4.80 105.19 106.31 1jkx n GLY 102 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 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 0.66 -3.95 1.61 1.85 -0.42 -4.63 116.66 109.78 1jkx n ARG 103 Ca 0.00 -2.55 -0.28 0.00 -1.00 0.00 0.00 57.85 54.01 1jkx n ARG 103 Cb 0.00 -0.60 -0.17 0.00 -1.05 0.00 0.00 32.46 30.65 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 -1.37 1.54 0.20 2.89 2.96 -1.04 -0.76 118.68 123.11 1jkx s LEU 104 Ca 0.32 -0.50 0.09 0.00 -0.22 0.00 0.00 54.13 53.83 1jkx s LEU 104 Cb 0.37 -1.00 -0.04 0.00 0.50 0.00 0.00 46.19 46.01 1jkx s LEU 104 CO -0.12 -0.12 -0.08 -0.76 -1.32 0.00 0.00 176.35 173.96 1jkx s LEU 105 N 1.59 3.02 0.03 -0.68 1.43 -0.08 -1.32 118.68 122.67 1jkx s LEU 105 Ca 0.03 -0.60 -0.09 0.00 -1.03 0.00 0.00 54.13 52.44 1jkx s LEU 105 Cb -0.14 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.43 1jkx s LEU 105 CO -0.09 0.08 0.18 0.21 0.23 0.00 0.00 176.35 176.96 1jkx s ASN 106 N -3.05 0.05 -0.13 2.29 2.47 -0.59 0.00 114.94 115.97 1jkx s ASN 106 Ca 0.27 -0.36 0.01 0.00 0.42 0.00 0.00 52.86 53.20 1jkx s ASN 106 Cb -0.08 0.27 0.02 0.00 -1.45 0.00 0.00 41.25 40.01 1jkx s ASN 106 CO 0.16 -0.53 -0.16 -0.51 -3.72 0.00 0.00 177.10 172.35 1jkx s ILE 107 N -2.41 1.63 -0.15 -5.21 2.07 -1.23 -0.85 121.20 115.06 1jkx s ILE 107 Ca -0.06 -0.70 -0.01 0.00 -1.41 0.00 0.00 60.65 58.46 1jkx s ILE 107 Cb -0.02 -1.50 -0.02 0.00 0.13 0.00 0.00 42.46 41.06 1jkx s ILE 107 CO -0.03 0.47 -0.10 -2.28 -1.91 0.00 0.00 174.94 171.09 1jkx s HIS 108 N 1.18 2.88 -0.27 3.50 5.65 0.69 -4.74 115.29 124.18 1jkx s HIS 108 Ca -0.01 -0.65 -0.05 0.00 0.25 0.00 0.00 55.06 54.59 1jkx s HIS 108 Cb -0.14 -1.92 -0.16 0.00 -1.18 0.00 0.00 32.58 29.19 1jkx s HIS 108 CO -0.06 -0.25 2.60 -0.35 -0.65 0.00 0.00 174.74 176.03 1jkx n PRO 109 N 3.78 1.67 -3.50 2.88 -0.04 -1.26 -0.55 135.00 137.98 1jkx n PRO 109 Ca -0.18 -0.93 -0.09 0.00 -0.04 0.00 0.00 63.50 62.27 1jkx n PRO 109 Cb 0.52 -2.01 -0.02 0.00 -0.04 0.00 0.00 33.50 31.95 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 2.48 -0.37 -1.04 3.54 1.04 -0.81 -4.44 113.70 114.09 1jkx s SER 110 Ca 0.47 -0.00 -0.19 0.00 0.48 0.00 0.00 55.95 56.71 1jkx s SER 110 Cb 0.20 0.40 0.12 0.00 0.10 0.00 0.00 66.02 66.83 1jkx s SER 110 CO -0.01 -0.64 1.31 -0.76 0.98 0.00 0.00 173.24 174.12 1jkx s LEU 111 N -2.50 4.60 0.61 2.42 1.43 -1.26 -3.34 118.68 120.64 1jkx s LEU 111 Ca 0.05 -2.14 -0.18 0.00 -1.03 0.00 0.00 54.13 50.83 1jkx s LEU 111 Cb -0.01 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 1jkx s LEU 111 CO -0.09 -1.11 0.83 0.18 0.23 0.00 0.00 176.35 176.39 1jkx n LEU 112 N 7.06 2.87 0.00 1.79 4.77 -1.26 -3.83 117.00 128.40 1jkx n LEU 112 Ca 0.31 0.77 0.00 0.00 -0.03 0.00 0.00 56.01 57.06 1jkx n LEU 112 Cb 0.48 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 1jkx n LEU 112 CO 0.59 -2.24 0.40 -2.65 -1.33 0.00 0.00 177.39 172.15 1jkx n PRO 113 N -0.82 0.00 0.00 3.23 -0.02 -1.26 -4.90 135.00 131.23 1jkx n PRO 113 Ca 0.13 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1jkx n PRO 113 Cb 0.48 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 1jkx n PRO 113 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1jkx n LYS 114 N -1.50 0.00 -3.05 -0.52 5.02 -1.25 -3.20 118.16 113.65 1jkx n LYS 114 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1jkx n LYS 114 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.07 1jkx n LYS 114 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1jkx n TYR 115 N 0.00 -1.98 0.28 2.13 0.53 -1.26 -4.45 117.16 112.40 1jkx n TYR 115 Ca 0.00 0.75 0.05 0.00 -1.02 0.00 0.00 57.90 57.67 1jkx n TYR 115 Cb 0.00 -4.13 0.22 0.00 -1.03 0.00 0.00 39.34 34.40 1jkx n TYR 115 CO 0.00 0.00 0.00 -2.30 -1.02 0.00 0.00 176.86 173.54 1jkx n PRO 116 N -3.20 0.02 0.00 -0.72 -0.02 -1.20 -4.82 135.00 125.07 1jkx n PRO 116 Ca -0.13 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1jkx n PRO 116 Cb 0.62 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 1jkx n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jkx n GLY 117 N -0.66 5.28 3.68 -1.23 0.00 -1.26 -5.03 105.19 105.96 1jkx n GLY 117 Ca 0.02 -1.49 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 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 1.51 -1.38 0.99 1.43 -1.26 -4.23 118.68 115.74 1jkx s LEU 118 Ca 0.00 1.11 -0.01 0.00 -1.03 0.00 0.00 54.13 54.21 1jkx s LEU 118 Cb 0.00 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1jkx s LEU 118 CO 0.00 -3.20 0.53 1.41 0.23 0.00 0.00 176.35 175.32 1jkx n HIS 119 N -4.21 -1.75 -0.02 0.29 8.25 -1.26 -4.91 115.22 111.60 1jkx n HIS 119 Ca 0.05 0.78 -0.13 0.00 -0.26 0.00 0.00 57.72 58.17 1jkx n HIS 119 Cb 0.58 -3.96 -0.09 0.00 1.12 0.00 0.00 29.99 27.64 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 -1.85 1.32 -0.77 1.59 1.35 -1.86 -2.83 112.91 109.86 1jkx h THR 120 Ca -0.62 -1.02 -0.00 0.00 -0.55 0.00 0.00 66.41 64.22 1jkx h THR 120 Cb 1.37 1.91 -0.04 0.00 -1.73 0.00 0.00 68.15 69.66 1jkx h THR 120 CO 0.61 0.28 0.48 0.45 -0.25 0.00 0.00 175.52 177.08 1jkx h HIS 121 N -0.28 1.00 -0.07 4.73 3.86 -1.91 -1.64 115.15 120.83 1jkx h HIS 121 Ca 0.01 0.01 -0.16 0.00 -1.16 0.00 0.00 60.37 59.07 1jkx h HIS 121 Cb 0.45 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1jkx h HIS 121 CO 0.07 0.66 -0.67 -0.09 0.86 0.00 0.00 177.93 178.76 1jkx h ARG 122 N 1.06 0.30 -0.28 2.45 2.43 -1.96 -2.87 114.38 115.51 1jkx h ARG 122 Ca 0.28 -0.23 -0.15 0.00 -0.81 0.00 0.00 59.98 59.08 1jkx h ARG 122 Cb -0.07 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1jkx h ARG 122 CO -0.06 0.86 -0.42 1.96 -1.51 0.00 0.00 179.97 180.80 1jkx h GLN 123 N 0.21 0.69 -0.13 0.20 4.20 -1.21 -0.74 115.11 118.33 1jkx h GLN 123 Ca -0.02 -0.37 0.02 0.00 0.06 0.00 0.00 58.65 58.35 1jkx h GLN 123 Cb 1.20 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 1jkx h GLN 123 CO 0.11 0.98 0.01 0.00 -0.67 0.00 0.00 178.83 179.26 1jkx h ALA 124 N 0.97 0.12 -0.02 3.87 0.00 -1.21 -0.54 119.26 122.44 1jkx h ALA 124 Ca 0.04 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1jkx h ALA 124 Cb 0.96 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1jkx h ALA 124 CO 0.09 -0.44 -0.01 -0.07 0.00 0.00 0.00 179.25 178.82 1jkx h LEU 125 N 0.06 0.05 -1.80 0.00 3.38 -1.45 -1.76 115.31 113.79 1jkx h LEU 125 Ca 0.06 -0.37 0.06 0.00 0.09 0.00 0.00 57.88 57.72 1jkx h LEU 125 Cb 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1jkx h LEU 125 CO -0.09 0.40 0.25 -0.33 0.09 0.00 0.00 178.44 178.76 1jkx h GLU 126 N -0.31 0.25 -0.15 1.13 5.08 -1.05 -0.13 114.58 119.40 1jkx h GLU 126 Ca 0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1jkx h GLU 126 Cb 0.38 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1jkx h GLU 126 CO 0.00 0.16 0.00 -1.71 -1.00 0.00 0.00 179.01 176.47 1jkx n ASN 127 N -4.48 1.43 -2.35 1.42 5.15 -0.22 -4.92 115.26 111.29 1jkx n ASN 127 Ca 0.04 -1.69 -0.21 0.00 -0.60 0.00 0.00 54.58 52.12 1jkx n ASN 127 Cb 0.25 -0.10 -0.01 0.00 -0.53 0.00 0.00 39.78 39.39 1jkx n ASN 127 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jkx n GLY 128 N 1.07 -0.37 3.77 8.20 0.00 -0.06 -4.95 105.19 112.85 1jkx n GLY 128 Ca 0.15 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.09 6.70 0.00 1.61 1.01 -0.67 -4.90 116.67 118.32 1jkx s ASP 129 Ca 0.00 2.58 0.23 0.00 0.71 0.00 0.00 52.55 56.07 1jkx s ASP 129 Cb 0.00 -2.64 0.51 0.00 1.01 0.00 0.00 42.92 41.81 1jkx s ASP 129 CO 0.00 -0.57 1.46 -0.62 0.21 0.00 0.00 175.17 175.64 1jkx n GLU 130 N 0.59 2.60 -3.75 8.23 4.71 -1.26 -4.82 120.64 126.94 1jkx n GLU 130 Ca 0.01 -2.45 -0.15 0.00 -0.01 0.00 0.00 57.16 54.57 1jkx n GLU 130 Cb 0.43 -1.54 -0.15 0.00 -1.01 0.00 0.00 31.44 29.17 1jkx n GLU 130 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 1jkx s GLU 131 N -1.30 0.02 0.26 3.49 2.12 -1.26 -2.20 118.70 119.83 1jkx s GLU 131 Ca 0.43 0.30 -0.04 0.00 0.36 0.00 0.00 54.97 56.02 1jkx s GLU 131 Cb 0.24 -0.23 -0.02 0.00 0.26 0.00 0.00 34.13 34.38 1jkx s GLU 131 CO 0.32 -0.18 0.33 -1.58 -0.54 0.00 0.00 175.26 173.62 1jkx s HIS 132 N 1.23 0.97 -2.75 5.30 2.46 -1.06 -4.99 115.29 116.46 1jkx s HIS 132 Ca -0.08 -1.20 0.00 0.00 0.47 0.00 0.00 55.06 54.25 1jkx s HIS 132 Cb -0.12 -0.24 0.00 0.00 -0.13 0.00 0.00 32.58 32.09 1jkx s HIS 132 CO -0.04 -0.89 0.00 0.41 -2.47 0.00 0.00 174.74 171.74 1jkx n GLY 133 N -0.42 -0.60 3.12 1.59 0.00 -1.26 0.74 105.19 108.37 1jkx n GLY 133 Ca 0.01 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.67 0.71 -0.05 2.61 -1.32 -0.61 -1.93 115.64 111.38 1jkx s THR 134 Ca 0.00 -1.43 0.01 0.00 -1.21 0.00 0.00 61.69 59.05 1jkx s THR 134 Cb 0.00 -1.08 0.02 0.00 -1.51 0.00 0.00 72.50 69.93 1jkx s THR 134 CO 0.00 -0.53 -0.04 -0.44 -2.21 0.00 0.00 174.62 171.40 1jkx s SER 135 N -2.15 0.99 -0.16 8.08 0.01 0.29 -1.66 113.70 119.10 1jkx s SER 135 Ca -0.01 -0.12 -0.08 0.00 1.31 0.00 0.00 55.95 57.05 1jkx s SER 135 Cb -0.05 -0.45 -0.04 0.00 0.21 0.00 0.00 66.02 65.69 1jkx s SER 135 CO -0.01 -0.06 0.10 -0.69 0.41 0.00 0.00 173.24 172.99 1jkx s VAL 136 N 0.99 5.12 0.15 3.43 1.01 -0.57 -0.22 120.40 130.31 1jkx s VAL 136 Ca -0.10 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 1jkx s VAL 136 Cb -0.14 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1jkx s VAL 136 CO -0.00 0.51 0.30 -1.38 0.00 0.00 0.00 175.10 174.53 1jkx s HIS 137 N -0.14 0.23 0.08 5.22 -0.00 -0.03 -0.97 115.29 119.68 1jkx s HIS 137 Ca 0.09 -0.60 -0.29 0.00 -0.00 0.00 0.00 55.06 54.25 1jkx s HIS 137 Cb -0.12 0.03 -0.05 0.00 -0.00 0.00 0.00 32.58 32.44 1jkx s HIS 137 CO 0.01 -0.71 0.94 -0.06 -0.00 0.00 0.00 174.74 174.92 1jkx s PHE 138 N -3.92 3.77 -0.18 0.38 0.08 -0.49 -1.55 117.98 116.07 1jkx s PHE 138 Ca 0.12 1.73 -0.21 0.00 0.12 0.00 0.00 56.93 58.69 1jkx s PHE 138 Cb 0.03 -3.03 -0.03 0.00 -0.57 0.00 0.00 43.02 39.42 1jkx s PHE 138 CO -0.04 0.17 0.65 0.08 -0.10 0.00 0.00 175.22 175.99 1jkx s VAL 139 N 0.21 5.01 0.26 -0.44 1.01 -0.44 -3.60 120.40 122.41 1jkx s VAL 139 Ca 0.47 1.25 0.02 0.00 0.00 0.00 0.00 61.98 63.71 1jkx s VAL 139 Cb -0.22 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1jkx s VAL 139 CO 0.28 0.12 0.15 0.42 0.00 0.00 0.00 175.10 176.07 1jkx s THR 140 N 1.82 0.23 -0.14 3.92 -4.23 -0.71 -4.66 115.64 111.87 1jkx s THR 140 Ca 0.30 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 59.07 1jkx s THR 140 Cb -0.16 -2.54 0.26 0.00 1.34 0.00 0.00 72.50 71.41 1jkx s THR 140 CO 0.11 0.00 1.78 -2.24 -0.54 0.00 0.00 174.62 173.74 1jkx h ASP 141 N 2.40 0.00 -2.95 3.99 3.04 -1.91 -3.43 116.42 117.55 1jkx h ASP 141 Ca -0.35 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 52.88 1jkx h ASP 141 Cb 1.25 0.00 0.20 0.00 -1.04 0.00 0.00 39.33 39.73 1jkx h ASP 141 CO 0.53 0.00 -0.69 -0.62 -2.04 0.00 0.00 179.24 176.42 1jkx n GLU 142 N -2.41 0.15 0.00 4.15 1.02 -1.26 -4.88 120.64 117.41 1jkx n GLU 142 Ca -0.01 0.08 0.13 0.00 -0.02 0.00 0.00 57.16 57.34 1jkx n GLU 142 Cb 0.10 -1.64 0.39 0.00 -0.02 0.00 0.00 31.44 30.27 1jkx n GLU 142 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 1jkx n LEU 143 N 0.35 0.46 -0.89 -4.62 -0.00 -1.26 -3.56 117.00 107.48 1jkx n LEU 143 Ca 0.08 0.07 0.12 0.00 -0.00 0.00 0.00 56.01 56.28 1jkx n LEU 143 Cb 0.51 -0.28 0.25 0.00 -0.00 0.00 0.00 43.42 43.90 1jkx n LEU 143 CO 0.51 0.10 0.72 -0.90 -0.00 0.00 0.00 177.39 177.82 1jkx n ASP 144 N -1.33 2.72 0.00 1.45 5.75 -1.26 -4.97 116.55 118.92 1jkx n ASP 144 Ca 0.08 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 1jkx n ASP 144 Cb 0.33 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1jkx n ASP 144 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jkx n GLY 145 N 1.34 3.12 0.00 6.12 0.00 -1.23 -4.99 105.19 109.55 1jkx n GLY 145 Ca 0.17 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 3.56 3.68 -0.02 0.00 -1.25 -1.74 105.19 109.43 1jkx n GLY 146 Ca 0.00 -1.72 -0.45 0.00 0.00 0.00 0.00 46.02 43.85 1jkx n GLY 146 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jkx n PRO 147 N -1.81 2.29 -2.56 1.61 -0.02 -1.24 -4.64 135.00 128.63 1jkx n PRO 147 Ca 0.00 0.83 -0.41 0.00 -2.02 0.00 0.00 63.50 61.90 1jkx n PRO 147 Cb 0.00 -2.61 -0.04 0.00 -0.02 0.00 0.00 33.50 30.83 1jkx n PRO 147 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jkx s VAL 148 N 0.96 4.04 -0.24 -1.45 1.01 -1.26 -1.39 120.40 122.07 1jkx s VAL 148 Ca 0.78 1.72 0.04 0.00 0.00 0.00 0.00 61.98 64.51 1jkx s VAL 148 Cb -0.64 -4.10 -0.19 0.00 0.00 0.00 0.00 36.38 31.46 1jkx s VAL 148 CO 0.37 0.28 -0.15 -0.38 0.00 0.00 0.00 175.10 175.21 1jkx n ILE 149 N 2.60 1.50 -3.64 2.22 5.41 -0.15 -3.66 119.36 123.64 1jkx n ILE 149 Ca 0.03 -0.61 -0.08 0.00 1.00 0.00 0.00 62.75 63.09 1jkx n ILE 149 Cb 0.47 -1.31 -0.07 0.00 -0.71 0.00 0.00 39.64 38.02 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 -6.42 -0.59 0.18 1.39 2.96 -1.14 -1.30 118.68 113.77 1jkx s LEU 150 Ca -0.31 1.05 0.11 0.00 -0.22 0.00 0.00 54.13 54.76 1jkx s LEU 150 Cb 0.08 2.02 -0.04 0.00 0.50 0.00 0.00 46.19 48.75 1jkx s LEU 150 CO 0.64 -0.17 -0.24 -1.10 -1.32 0.00 0.00 176.35 174.15 1jkx s GLN 151 N 0.76 1.48 -0.09 1.98 -0.21 -1.26 -1.51 119.66 120.80 1jkx s GLN 151 Ca -0.02 -1.49 -0.01 0.00 0.02 0.00 0.00 55.36 53.86 1jkx s GLN 151 Cb -0.05 -1.82 0.03 0.00 1.00 0.00 0.00 33.01 32.17 1jkx s GLN 151 CO -0.09 0.40 -0.04 0.00 -2.12 0.00 0.00 175.29 173.43 1jkx s ALA 152 N -1.59 1.05 0.11 6.09 0.00 -0.66 -5.00 121.76 121.75 1jkx s ALA 152 Ca 0.19 -0.35 -0.08 0.00 0.00 0.00 0.00 51.96 51.72 1jkx s ALA 152 Cb -0.08 -0.82 -0.06 0.00 0.00 0.00 0.00 23.12 22.16 1jkx s ALA 152 CO 0.09 -0.41 0.40 0.15 0.00 0.00 0.00 175.76 175.99 1jkx s LYS 153 N 1.77 3.71 -0.11 0.00 1.02 -1.26 -1.57 119.74 123.28 1jkx s LYS 153 Ca 0.04 0.08 -0.01 0.00 0.02 0.00 0.00 55.97 56.10 1jkx s LYS 153 Cb -0.13 -2.91 0.03 0.00 -0.52 0.00 0.00 37.83 34.30 1jkx s LYS 153 CO -0.06 0.51 -0.07 0.08 -0.92 0.00 0.00 175.35 174.89 1jkx s VAL 154 N -1.53 0.97 0.45 3.17 1.01 0.23 -4.95 120.40 119.75 1jkx s VAL 154 Ca 0.37 -0.28 -0.24 0.00 0.00 0.00 0.00 61.98 61.82 1jkx s VAL 154 Cb -0.13 -1.02 -0.07 0.00 0.00 0.00 0.00 36.38 35.16 1jkx s VAL 154 CO 0.21 0.33 1.29 -2.16 0.00 0.00 0.00 175.10 174.77 1jkx s PRO 155 N 1.73 3.71 -0.21 2.72 0.04 -1.26 -2.55 135.00 139.17 1jkx s PRO 155 Ca 0.05 2.11 -0.04 0.00 0.04 0.00 0.00 61.00 63.15 1jkx s PRO 155 Cb -0.13 -2.55 -0.01 0.00 0.04 0.00 0.00 34.50 31.84 1jkx s PRO 155 CO -0.08 -0.69 -0.03 0.08 0.04 0.00 0.00 177.00 176.32 1jkx s VAL 156 N -1.33 3.58 0.23 -0.36 1.01 -0.94 -4.93 120.40 117.67 1jkx s VAL 156 Ca 0.62 -0.43 0.09 0.00 0.00 0.00 0.00 61.98 62.26 1jkx s VAL 156 Cb -0.37 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1jkx s VAL 156 CO 0.46 0.43 -0.03 -0.36 0.00 0.00 0.00 175.10 175.60 1jkx s PHE 157 N 1.26 2.70 0.13 5.22 0.08 -1.26 -4.80 117.98 121.31 1jkx s PHE 157 Ca 0.03 -0.21 -0.31 0.00 0.12 0.00 0.00 56.93 56.56 1jkx s PHE 157 Cb -0.14 -1.24 -0.10 0.00 -0.57 0.00 0.00 43.02 40.96 1jkx s PHE 157 CO -0.01 0.58 1.77 0.00 -0.10 0.00 0.00 175.22 177.46 1jkx s ALA 158 N -2.07 3.79 0.00 5.36 0.00 -1.26 -1.67 121.76 125.91 1jkx s ALA 158 Ca 0.29 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1jkx s ALA 158 Cb -0.07 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1jkx s ALA 158 CO 0.18 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.23 1jkx n GLY 159 N 4.12 1.92 3.69 0.00 0.00 -1.26 -5.06 105.19 108.60 1jkx n GLY 159 Ca 0.17 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 1jkx n GLY 159 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jkx n ASP 160 N 0.12 3.61 -4.98 1.61 8.00 -0.67 -4.99 116.55 119.25 1jkx n ASP 160 Ca 0.00 1.05 -0.19 0.00 0.71 0.00 0.00 54.79 56.35 1jkx n ASP 160 Cb 0.00 -1.50 0.05 0.00 -0.02 0.00 0.00 41.12 39.66 1jkx n ASP 160 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1jkx s SER 161 N 1.59 5.17 0.23 -2.24 1.04 -1.26 -4.92 113.70 113.31 1jkx s SER 161 Ca 0.79 -0.63 -0.07 0.00 0.48 0.00 0.00 55.95 56.53 1jkx s SER 161 Cb -0.58 -0.06 0.36 0.00 0.10 0.00 0.00 66.02 65.84 1jkx s SER 161 CO 0.37 -1.24 1.74 -0.08 0.98 0.00 0.00 173.24 175.02 1jkx h GLU 162 N 0.21 0.45 0.06 4.02 4.57 -1.98 -1.98 114.58 119.93 1jkx h GLU 162 Ca -0.34 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.81 1jkx h GLU 162 Cb 1.28 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 1jkx h GLU 162 CO 0.42 0.30 -0.03 -0.44 -1.18 0.00 0.00 179.01 178.08 1jkx h ASP 163 N 0.46 -0.07 -1.00 1.04 5.19 -1.98 -1.38 116.42 118.68 1jkx h ASP 163 Ca 0.36 -0.46 0.16 0.00 -0.62 0.00 0.00 57.03 56.47 1jkx h ASP 163 Cb 0.48 0.02 -0.10 0.00 0.18 0.00 0.00 39.33 39.91 1jkx h ASP 163 CO -0.34 0.44 0.62 0.44 -3.12 0.00 0.00 179.24 177.28 1jkx h ASP 164 N -0.60 0.84 0.08 6.45 3.32 -1.90 -0.86 116.42 123.75 1jkx h ASP 164 Ca -0.01 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1jkx h ASP 164 Cb 0.52 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1jkx h ASP 164 CO 0.01 0.37 -0.04 -0.29 -1.72 0.00 0.00 179.24 177.58 1jkx h ILE 165 N 0.86 0.97 -1.02 0.35 2.10 -1.41 -2.85 117.51 116.52 1jkx h ILE 165 Ca 0.54 -1.44 0.29 0.00 1.08 0.00 0.00 64.86 65.33 1jkx h ILE 165 Cb 0.71 1.73 -0.13 0.00 -1.09 0.00 0.00 36.82 38.03 1jkx h ILE 165 CO -0.33 0.29 0.60 0.74 -1.08 0.00 0.00 178.15 178.37 1jkx h THR 166 N -0.91 0.41 -0.35 2.19 2.02 -0.97 0.52 112.91 115.81 1jkx h THR 166 Ca -0.01 -0.15 -0.12 0.00 0.77 0.00 0.00 66.41 66.90 1jkx h THR 166 Cb 0.56 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1jkx h THR 166 CO 0.02 0.08 -0.29 0.00 0.37 0.00 0.00 175.52 175.70 1jkx h ALA 167 N 1.77 0.83 -0.05 6.16 0.00 -1.22 -0.94 119.26 125.82 1jkx h ALA 167 Ca 0.69 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 1jkx h ALA 167 Cb 1.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1jkx h ALA 167 CO -0.52 0.64 -0.49 0.00 0.00 0.00 0.00 179.25 178.87 1jkx h ARG 168 N 0.63 0.12 -0.26 0.00 3.08 0.18 -1.80 114.38 116.34 1jkx h ARG 168 Ca 0.08 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 59.88 1jkx h ARG 168 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1jkx h ARG 168 CO 0.07 0.59 -0.53 0.28 -1.07 0.00 0.00 179.97 179.31 1jkx h VAL 169 N 0.10 1.28 -0.90 2.04 2.07 -0.75 -3.10 116.25 117.00 1jkx h VAL 169 Ca 0.00 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 65.78 1jkx h VAL 169 Cb 0.91 1.71 -0.04 0.00 -1.52 0.00 0.00 31.29 32.35 1jkx h VAL 169 CO 0.07 0.56 0.48 -0.61 0.02 0.00 0.00 177.57 178.09 1jkx h GLN 170 N 0.58 1.26 -0.65 1.57 4.15 -0.95 -1.07 115.11 120.00 1jkx h GLN 170 Ca 0.01 -0.15 0.03 0.00 0.77 0.00 0.00 58.65 59.30 1jkx h GLN 170 Cb 1.14 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 28.55 1jkx h GLN 170 CO 0.12 0.92 0.43 1.15 -1.93 0.00 0.00 178.83 179.52 1jkx h THR 171 N 1.26 1.10 -0.09 2.39 2.02 -1.28 -0.82 112.91 117.48 1jkx h THR 171 Ca 0.31 -0.27 -0.18 0.00 0.77 0.00 0.00 66.41 67.04 1jkx h THR 171 Cb 0.04 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 66.69 1jkx h THR 171 CO -0.05 0.14 -0.71 1.56 0.37 0.00 0.00 175.52 176.83 1jkx h GLN 172 N 0.79 0.45 -0.05 6.66 1.08 -1.28 -3.16 115.11 119.59 1jkx h GLN 172 Ca 0.26 -0.36 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1jkx h GLN 172 Cb 0.05 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1jkx h GLN 172 CO -0.07 0.99 0.03 0.93 -0.95 0.00 0.00 178.83 179.76 1jkx h GLU 173 N 0.31 0.07 0.00 1.46 5.08 0.05 -0.37 114.58 121.18 1jkx h GLU 173 Ca -0.03 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1jkx h GLU 173 Cb 1.29 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1jkx h GLU 173 CO 0.13 0.04 0.00 0.45 -1.00 0.00 0.00 179.01 178.63 1jkx h HIS 174 N 0.07 0.00 0.00 4.33 3.86 -1.27 -1.66 115.15 120.48 1jkx h HIS 174 Ca 0.02 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.05 1jkx h HIS 174 Cb -0.01 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 1jkx h HIS 174 CO -0.08 0.00 -1.20 0.00 0.86 0.00 0.00 177.93 177.51 1jkx n ALA 175 N -1.94 0.75 0.16 2.45 0.00 -0.75 -4.44 120.51 116.73 1jkx n ALA 175 Ca -0.02 -0.58 0.02 0.00 0.00 0.00 0.00 53.44 52.86 1jkx n ALA 175 Cb 0.06 -0.24 0.21 0.00 0.00 0.00 0.00 19.45 19.48 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 1.11 0.13 0.00 3.07 -0.92 -3.18 117.51 116.71 1jkx h ILE 176 Ca -0.27 -1.96 -0.01 0.00 1.55 0.00 0.00 64.86 64.18 1jkx h ILE 176 Cb 1.09 2.14 0.00 0.00 -0.27 0.00 0.00 36.82 39.78 1jkx h ILE 176 CO -0.16 0.51 -0.06 0.22 -1.05 0.00 0.00 178.15 177.60 1jkx h TYR 177 N 0.00 -0.16 -0.42 0.16 5.03 -1.55 -1.27 116.97 118.77 1jkx h TYR 177 Ca -0.01 -0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.31 1jkx h TYR 177 Cb 1.10 0.05 -0.02 0.00 1.55 0.00 0.00 36.73 39.41 1jkx h TYR 177 CO 0.00 0.23 0.28 -1.35 -1.32 0.00 0.00 178.16 176.00 1jkx h PRO 178 N -0.59 0.51 -0.04 1.82 0.11 -1.78 0.02 132.00 132.05 1jkx h PRO 178 Ca -0.02 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1jkx h PRO 178 Cb 0.46 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 1jkx h PRO 178 CO 0.03 0.34 0.01 1.25 -0.21 0.00 0.00 178.00 179.41 1jkx h LEU 179 N 0.52 0.06 -0.77 2.35 5.85 -1.51 -0.23 115.31 121.59 1jkx h LEU 179 Ca 0.16 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1jkx h LEU 179 Cb 0.00 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1jkx h LEU 179 CO -0.04 0.28 0.49 0.58 -0.34 0.00 0.00 178.44 179.42 1jkx h VAL 180 N -0.16 1.20 -0.25 1.05 2.07 -0.66 -0.70 116.25 118.79 1jkx h VAL 180 Ca 0.01 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 1jkx h VAL 180 Cb 0.25 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1jkx h VAL 180 CO 0.00 0.20 0.01 0.40 0.02 0.00 0.00 177.57 178.21 1jkx h ILE 181 N 1.04 1.15 -0.51 4.57 2.04 -0.82 -1.03 117.51 123.95 1jkx h ILE 181 Ca 0.28 -0.58 -0.13 0.00 1.00 0.00 0.00 64.86 65.44 1jkx h ILE 181 Cb -0.09 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1jkx h ILE 181 CO -0.06 0.20 -0.17 -1.28 0.00 0.00 0.00 178.15 176.84 1jkx h SER 182 N 0.36 1.03 -0.74 1.72 0.87 0.17 -0.62 113.55 116.34 1jkx h SER 182 Ca 0.08 -0.38 -0.02 0.00 -1.23 0.00 0.00 61.79 60.25 1jkx h SER 182 Cb 0.23 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 1jkx h SER 182 CO 0.00 1.17 0.38 -0.50 -0.53 0.00 0.00 176.83 177.36 1jkx h TRP 183 N 0.88 1.04 -0.26 2.24 6.55 -0.24 -1.13 115.95 125.02 1jkx h TRP 183 Ca 0.12 -0.04 -0.03 0.00 0.95 0.00 0.00 58.89 59.89 1jkx h TRP 183 Cb 0.75 -0.33 -0.01 0.00 -0.86 0.00 0.00 29.16 28.71 1jkx h TRP 183 CO 0.05 0.75 0.05 0.35 -1.05 0.00 0.00 178.44 178.59 1jkx h PHE 184 N 1.03 0.46 -0.50 0.49 3.57 -0.97 -1.56 116.94 119.46 1jkx h PHE 184 Ca 0.26 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1jkx h PHE 184 Cb 0.07 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1jkx h PHE 184 CO 0.00 0.54 0.27 0.00 -2.23 0.00 0.00 178.31 176.89 1jkx h ALA 185 N 0.87 1.53 0.00 2.41 0.00 -0.84 -1.10 119.26 122.13 1jkx h ALA 185 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jkx h ALA 185 Cb 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1jkx h ALA 185 CO 0.00 0.39 0.00 -0.25 0.00 0.00 0.00 179.25 179.40 1jkx n ASP 186 N -4.40 0.00 -0.61 0.00 8.00 -0.45 -4.89 116.55 114.19 1jkx n ASP 186 Ca 0.04 -0.96 -0.08 0.00 0.71 0.00 0.00 54.79 54.51 1jkx n ASP 186 Cb 0.10 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 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 1.01 0.87 0.06 0.44 0.00 -0.42 -4.90 105.19 102.26 1jkx n GLY 187 Ca 0.23 -0.69 0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.67 0.56 -3.91 1.61 1.74 -0.61 -4.85 116.66 108.53 1jkx n ARG 188 Ca -0.08 -0.01 -0.35 0.00 -0.77 0.00 0.00 57.85 56.64 1jkx n ARG 188 Cb 0.28 -1.67 -0.14 0.00 -1.02 0.00 0.00 32.46 29.91 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 -4.78 2.98 0.12 0.55 2.96 -1.13 -0.61 118.68 118.78 1jkx s LEU 189 Ca -0.02 -0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1jkx s LEU 189 Cb 0.12 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1jkx s LEU 189 CO 0.83 -0.02 0.06 -0.54 -1.32 0.00 0.00 176.35 175.37 1jkx s LYS 190 N 1.46 0.90 -0.16 1.98 1.02 -0.57 -4.68 119.74 119.68 1jkx s LYS 190 Ca 0.05 -1.38 0.01 0.00 0.02 0.00 0.00 55.97 54.67 1jkx s LYS 190 Cb -0.14 0.25 0.03 0.00 -0.52 0.00 0.00 37.83 37.44 1jkx s LYS 190 CO -0.02 -0.25 -0.14 1.41 -0.92 0.00 0.00 175.35 175.43 1jkx s MET 191 N -4.02 2.31 -0.19 1.68 -2.45 -1.26 -0.94 119.30 114.43 1jkx s MET 191 Ca 0.21 -0.64 -0.14 0.00 -1.25 0.00 0.00 55.69 53.87 1jkx s MET 191 Cb 0.07 -2.21 0.06 0.00 1.25 0.00 0.00 34.83 33.99 1jkx s MET 191 CO -0.00 -0.27 0.48 -3.38 1.05 0.00 0.00 175.02 172.89 1jkx s HIS 192 N 1.45 -0.62 -0.60 4.11 -3.43 -1.15 -4.88 115.29 110.16 1jkx s HIS 192 Ca 0.04 1.39 -0.03 0.00 -0.80 0.00 0.00 55.06 55.65 1jkx s HIS 192 Cb -0.13 0.26 0.00 0.00 -1.43 0.00 0.00 32.58 31.28 1jkx s HIS 192 CO -0.10 -0.32 0.44 0.39 -2.00 0.00 0.00 174.74 173.15 1jkx n GLU 193 N 3.52 -3.08 -4.25 -0.38 1.02 -1.26 -3.51 120.64 112.71 1jkx n GLU 193 Ca -0.18 0.36 -0.31 0.00 -0.02 0.00 0.00 57.16 57.02 1jkx n GLU 193 Cb 0.56 -4.01 -0.07 0.00 -0.02 0.00 0.00 31.44 27.90 1jkx n GLU 193 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jkx n ASN 194 N -0.34 0.14 -3.80 1.62 4.13 -1.26 -4.95 115.26 110.80 1jkx n ASN 194 Ca -0.01 -1.20 -0.12 0.00 1.68 0.00 0.00 54.58 54.94 1jkx n ASN 194 Cb 0.53 -2.01 -0.08 0.00 -1.54 0.00 0.00 39.78 36.68 1jkx n ASN 194 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jkx s ALA 195 N -4.11 -0.55 0.03 5.41 0.00 -1.23 -4.68 121.76 116.63 1jkx s ALA 195 Ca 0.12 -0.04 -0.18 0.00 0.00 0.00 0.00 51.96 51.86 1jkx s ALA 195 Cb -0.07 0.22 -0.06 0.00 0.00 0.00 0.00 23.12 23.21 1jkx s ALA 195 CO 0.97 -0.33 0.53 0.00 0.00 0.00 0.00 175.76 176.93 1jkx s ALA 196 N -2.12 3.58 -0.10 0.00 0.00 -1.26 -2.95 121.76 118.90 1jkx s ALA 196 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1jkx s ALA 196 Cb -0.03 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.51 1jkx s ALA 196 CO -0.01 0.34 -0.10 -1.58 0.00 0.00 0.00 175.76 174.41 1jkx s TRP 197 N -0.77 1.56 -0.20 0.00 0.52 -0.12 -0.87 118.94 119.05 1jkx s TRP 197 Ca 0.28 -0.73 -0.03 0.00 0.02 0.00 0.00 56.10 55.64 1jkx s TRP 197 Cb -0.18 -1.23 -0.01 0.00 -1.15 0.00 0.00 33.47 30.91 1jkx s TRP 197 CO 0.17 -0.46 -0.07 -1.17 0.02 0.00 0.00 176.95 175.43 1jkx s LEU 198 N 1.37 2.79 -1.43 2.99 2.96 -0.68 -1.51 118.68 125.17 1jkx s LEU 198 Ca -0.01 -0.41 -0.10 0.00 -0.22 0.00 0.00 54.13 53.40 1jkx s LEU 198 Cb -0.14 -1.69 0.05 0.00 0.50 0.00 0.00 46.19 44.91 1jkx s LEU 198 CO -0.05 0.01 1.01 0.47 -1.32 0.00 0.00 176.35 176.47 1jkx n ASP 199 N 4.60 -4.58 -0.20 3.68 8.00 0.22 -1.86 116.55 126.42 1jkx n ASP 199 Ca -0.18 -0.70 -0.03 0.00 0.71 0.00 0.00 54.79 54.59 1jkx n ASP 199 Cb 0.51 -4.33 -0.01 0.00 -0.02 0.00 0.00 41.12 37.27 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 -1.74 0.53 3.15 0.44 0.00 -1.26 -5.01 105.19 101.30 1jkx n GLY 200 Ca -0.04 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.38 2.75 0.13 1.61 -0.21 -0.78 -5.10 119.66 116.69 1jkx s GLN 201 Ca 0.00 -0.76 -0.31 0.00 0.02 0.00 0.00 55.36 54.30 1jkx s GLN 201 Cb 0.00 -2.19 -0.10 0.00 1.00 0.00 0.00 33.01 31.72 1jkx s GLN 201 CO 0.00 0.04 1.68 0.50 -2.12 0.00 0.00 175.29 175.39 1jkx s ARG 202 N 0.69 4.18 0.25 2.91 3.52 -1.26 -1.68 118.95 127.56 1jkx s ARG 202 Ca -0.11 2.44 -0.21 0.00 -0.13 0.00 0.00 55.73 57.71 1jkx s ARG 202 Cb -0.16 -3.39 -0.09 0.00 -1.56 0.00 0.00 34.95 29.75 1jkx s ARG 202 CO 0.02 -0.72 0.79 -0.51 -0.81 0.00 0.00 175.30 174.07 1jkx s LEU 203 N 2.01 4.34 1.11 -0.88 1.43 -0.05 -4.95 118.68 121.69 1jkx s LEU 203 Ca 0.74 1.54 -0.13 0.00 -1.03 0.00 0.00 54.13 55.26 1jkx s LEU 203 Cb -0.44 -3.72 0.26 0.00 0.03 0.00 0.00 46.19 42.31 1jkx s LEU 203 CO 0.33 -0.00 1.05 -2.16 0.23 0.00 0.00 176.35 175.79 1jkx s PRO 204 N -2.02 -0.52 0.52 1.29 0.04 -1.26 -4.71 135.00 128.34 1jkx s PRO 204 Ca 0.45 0.77 0.29 0.00 0.04 0.00 0.00 61.00 62.55 1jkx s PRO 204 Cb -0.17 -1.61 1.41 0.00 0.04 0.00 0.00 34.50 34.18 1jkx s PRO 204 CO 0.22 -3.44 1.89 -1.35 0.04 0.00 0.00 177.00 174.36 1jkx h PRO 205 N -2.41 0.06 -0.60 0.56 0.11 -1.97 -0.37 132.00 127.38 1jkx h PRO 205 Ca -0.59 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.51 1jkx h PRO 205 Cb 1.33 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1jkx h PRO 205 CO 0.52 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 178.35 1jkx n GLN 206 N -4.32 2.61 0.00 1.05 0.00 -1.26 -4.27 117.38 111.19 1jkx n GLN 206 Ca 0.18 -2.16 0.00 0.00 0.00 0.00 0.00 57.00 55.02 1jkx n GLN 206 Cb 0.90 -1.55 0.00 0.00 0.00 0.00 0.00 30.24 29.59 1jkx n GLN 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1jkx n GLY 207 N 1.29 -2.79 3.68 2.61 0.00 -0.15 -4.09 105.19 105.74 1jkx n GLY 207 Ca 0.20 -1.76 -0.55 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.40 1.99 -0.03 1.61 9.36 -0.42 -4.17 117.16 125.11 1jkx n TYR 208 Ca 0.00 0.47 0.00 0.00 3.32 0.00 0.00 57.90 61.69 1jkx n TYR 208 Cb 0.00 -2.47 0.00 0.00 -0.63 0.00 0.00 39.34 36.24 1jkx n TYR 208 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08