#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jjx s PRO 3 N 0.00 3.51 0.29 -0.14 0.04 -1.26 -3.84 135.00 133.60 2jjx s PRO 3 Ca 0.00 -0.20 -0.14 0.00 0.04 0.00 0.00 61.00 60.69 2jjx s PRO 3 Cb 0.00 -3.85 -0.08 0.00 0.04 0.00 0.00 34.50 30.60 2jjx s PRO 3 CO 0.00 -0.77 0.69 0.71 0.04 0.00 0.00 177.00 177.67 2jjx s TYR 4 N 2.55 3.42 -0.09 0.56 2.02 -1.24 -4.98 117.35 119.59 2jjx s TYR 4 Ca 0.20 1.17 0.17 0.00 -0.37 0.00 0.00 57.07 58.24 2jjx s TYR 4 Cb -0.15 -2.49 -0.24 0.00 -0.40 0.00 0.00 41.96 38.68 2jjx s TYR 4 CO 0.15 0.17 0.23 1.63 -1.57 0.00 0.00 175.55 176.16 2jjx n LYS 5 N -0.15 0.89 -3.79 -0.62 5.02 -1.26 -4.82 118.16 113.43 2jjx n LYS 5 Ca 0.02 -0.09 -0.13 0.00 -2.02 0.00 0.00 58.31 56.09 2jjx n LYS 5 Cb 0.53 -1.43 -0.13 0.00 -0.02 0.00 0.00 35.03 33.98 2jjx n LYS 5 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jjx s ARG 6 N -2.85 0.18 0.06 1.97 0.52 -1.26 -0.81 118.95 116.76 2jjx s ARG 6 Ca -0.07 0.30 -0.05 0.00 -0.52 0.00 0.00 55.73 55.39 2jjx s ARG 6 Cb 0.08 0.01 -0.02 0.00 0.52 0.00 0.00 34.95 35.55 2jjx s ARG 6 CO 0.72 -0.07 0.08 0.54 0.02 0.00 0.00 175.30 176.58 2jjx s VAL 7 N 0.47 0.17 -0.11 3.52 0.11 0.60 -0.27 120.40 124.89 2jjx s VAL 7 Ca -0.03 -1.42 -0.01 0.00 -2.93 0.00 0.00 61.98 57.59 2jjx s VAL 7 Cb -0.05 -1.31 0.03 0.00 -1.53 0.00 0.00 36.38 33.52 2jjx s VAL 7 CO -0.02 -0.79 -0.05 -0.22 -3.33 0.00 0.00 175.10 170.69 2jjx s LEU 8 N -2.72 1.04 -0.14 2.54 1.98 -1.12 -1.82 118.68 118.44 2jjx s LEU 8 Ca 0.04 -0.27 -0.13 0.00 -2.89 0.00 0.00 54.13 50.88 2jjx s LEU 8 Cb 0.05 -0.74 -0.05 0.00 0.66 0.00 0.00 46.19 46.12 2jjx s LEU 8 CO -0.09 -0.14 0.29 -0.63 -1.89 0.00 0.00 176.35 173.88 2jjx s ILE 9 N 1.78 5.30 -0.26 6.68 1.01 0.94 -1.22 121.20 135.42 2jjx s ILE 9 Ca 0.05 0.54 -0.04 0.00 0.00 0.00 0.00 60.65 61.20 2jjx s ILE 9 Cb -0.13 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.74 2jjx s ILE 9 CO -0.07 0.44 -0.00 -0.75 0.00 0.00 0.00 174.94 174.55 2jjx s LYS 10 N 0.13 3.07 -0.14 2.79 2.47 0.12 -1.45 119.74 126.72 2jjx s LYS 10 Ca 0.17 -0.84 -0.03 0.00 -1.56 0.00 0.00 55.97 53.71 2jjx s LYS 10 Cb -0.13 -3.14 -0.03 0.00 -1.46 0.00 0.00 37.83 33.07 2jjx s LYS 10 CO 0.05 -0.37 -0.05 -0.51 0.16 0.00 0.00 175.35 174.63 2jjx s LEU 11 N 1.43 3.20 0.44 5.43 2.01 0.30 -2.31 118.68 129.18 2jjx s LEU 11 Ca 0.02 -0.12 -0.21 0.00 0.01 0.00 0.00 54.13 53.83 2jjx s LEU 11 Cb -0.16 -1.75 -0.10 0.00 0.01 0.00 0.00 46.19 44.18 2jjx s LEU 11 CO -0.01 0.21 0.98 -0.55 1.01 0.00 0.00 176.35 177.98 2jjx s SER 12 N 0.13 6.77 0.40 2.29 0.15 -1.26 -0.55 113.70 121.63 2jjx s SER 12 Ca -0.02 1.77 0.10 0.00 0.70 0.00 0.00 55.95 58.50 2jjx s SER 12 Cb -0.14 -2.55 0.84 0.00 -1.71 0.00 0.00 66.02 62.47 2jjx s SER 12 CO 0.03 -0.48 1.96 1.23 1.20 0.00 0.00 173.24 177.18 2jjx h GLY 13 N 1.84 0.27 1.13 9.45 0.00 -1.89 -2.13 103.07 111.75 2jjx h GLY 13 Ca -0.49 -0.15 0.08 0.00 0.00 0.00 0.00 47.33 46.77 2jjx h GLY 13 CO 0.60 0.14 0.35 -1.33 0.00 0.00 0.00 176.54 176.31 2jjx h GLY 14 N 0.64 0.00 2.00 4.60 0.00 -1.87 0.06 103.07 108.49 2jjx h GLY 14 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2jjx h GLY 14 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 2jjx h ALA 15 N 1.57 1.00 -0.01 3.60 0.00 -1.77 -3.01 119.26 120.64 2jjx h ALA 15 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2jjx h ALA 15 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2jjx h ALA 15 CO -0.00 0.00 -0.36 1.28 0.00 0.00 0.00 179.25 180.17 2jjx n LEU 16 N -2.71 0.95 -4.30 0.00 4.32 0.01 -4.73 117.00 110.53 2jjx n LEU 16 Ca 0.02 -0.23 -0.18 0.00 -0.02 0.00 0.00 56.01 55.60 2jjx n LEU 16 Cb 0.34 -0.14 -0.11 0.00 -1.62 0.00 0.00 43.42 41.90 2jjx n LEU 16 CO 0.27 0.19 -0.45 0.00 -1.22 0.00 0.00 177.39 176.18 2jjx s ALA 17 N -2.65 1.81 1.00 -1.18 0.00 -1.14 -1.28 121.76 118.32 2jjx s ALA 17 Ca 0.20 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.65 2jjx s ALA 17 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.22 2jjx s ALA 17 CO 0.58 0.09 0.00 -0.40 0.00 0.00 0.00 175.76 176.04 2jjx n ASP 18 N 0.03 -0.40 -0.10 0.00 5.68 -1.26 -4.92 116.55 115.56 2jjx n ASP 18 Ca -0.11 -0.23 -0.15 0.00 -0.50 0.00 0.00 54.79 53.80 2jjx n ASP 18 Cb 0.59 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.47 2jjx n ASP 18 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jjx n GLN 19 N -0.64 0.52 0.00 0.11 0.00 -1.26 -4.82 117.38 111.30 2jjx n GLN 19 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 57.00 57.12 2jjx n GLN 19 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 30.24 28.83 2jjx n GLN 19 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2jjx n THR 20 N -3.12 0.00 0.00 -0.39 -1.04 -1.26 -4.43 114.28 104.03 2jjx n THR 20 Ca -0.37 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 2jjx n THR 20 Cb 0.89 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 69.32 2jjx n THR 20 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jjx n GLY 21 N 0.00 0.69 0.00 3.41 0.00 -1.26 -5.10 105.19 102.93 2jjx n GLY 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2jjx n GLY 21 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jjx n ASN 22 N -0.17 0.00 0.00 1.61 3.02 -1.26 -5.09 115.26 113.37 2jjx n ASN 22 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2jjx n ASN 22 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2jjx n ASN 22 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2jjx n SER 23 N 0.00 0.00 -4.34 6.41 3.41 -1.16 -4.98 113.62 112.96 2jjx n SER 23 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.40 2jjx n SER 23 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 2jjx n SER 23 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2jjx s PHE 24 N 0.00 1.79 -0.24 7.33 0.40 -1.26 -3.92 117.98 122.09 2jjx s PHE 24 Ca 0.00 -0.50 -0.04 0.00 -0.60 0.00 0.00 56.93 55.80 2jjx s PHE 24 Cb 0.00 -0.87 0.09 0.00 0.51 0.00 0.00 43.02 42.75 2jjx s PHE 24 CO 0.00 0.35 0.16 1.21 0.70 0.00 0.00 175.22 177.64 2jjx s ASN 25 N -2.89 2.48 0.59 1.36 3.84 -0.40 -4.78 114.94 115.14 2jjx s ASN 25 Ca 0.18 -0.79 0.29 0.00 0.21 0.00 0.00 52.86 52.74 2jjx s ASN 25 Cb -0.04 -0.05 1.50 0.00 -0.55 0.00 0.00 41.25 42.11 2jjx s ASN 25 CO 0.07 -0.38 1.93 0.77 -2.79 0.00 0.00 177.10 176.69 2jjx h SER 26 N 8.37 0.00 -0.28 -4.21 4.64 -1.98 0.47 113.55 120.55 2jjx h SER 26 Ca -0.17 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.04 2jjx h SER 26 Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 2jjx h SER 26 CO 0.35 0.00 -0.24 0.11 -0.87 0.00 0.00 176.83 176.18 2jjx h LYS 27 N 0.00 0.66 -0.37 4.77 1.79 -1.96 -1.11 116.57 120.36 2jjx h LYS 27 Ca 0.20 -0.33 -0.05 0.00 -2.18 0.00 0.00 60.65 58.29 2jjx h LYS 27 Cb 1.08 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.73 2jjx h LYS 27 CO -0.00 0.94 0.03 0.00 -1.08 0.00 0.00 179.45 179.33 2jjx h ARG 28 N 0.40 0.63 0.00 3.15 3.08 -0.52 -2.24 114.38 118.87 2jjx h ARG 28 Ca 0.05 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 2jjx h ARG 28 Cb 0.79 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 2jjx h ARG 28 CO 0.06 0.71 -0.25 -0.07 -1.07 0.00 0.00 179.97 179.36 2jjx h LEU 29 N 0.45 0.00 -0.16 3.04 4.07 -0.88 -1.26 115.31 120.57 2jjx h LEU 29 Ca 0.11 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.93 2jjx h LEU 29 Cb 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 2jjx h LEU 29 CO 0.01 0.25 -0.43 -0.08 -1.08 0.00 0.00 178.44 177.11 2jjx h GLU 30 N 0.00 0.58 -0.18 1.13 4.81 -1.08 -2.20 114.58 117.64 2jjx h GLU 30 Ca -0.00 -0.41 0.01 0.00 -0.13 0.00 0.00 59.36 58.83 2jjx h GLU 30 Cb 0.50 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 2jjx h GLU 30 CO 0.03 1.03 0.08 1.25 -0.73 0.00 0.00 179.01 180.67 2jjx h HIS 31 N 0.23 0.15 -0.61 0.92 2.76 -1.14 -1.32 115.15 116.14 2jjx h HIS 31 Ca -0.01 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.21 2jjx h HIS 31 Cb 1.05 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 29.92 2jjx h HIS 31 CO 0.10 0.08 0.36 0.82 -1.30 0.00 0.00 177.93 177.99 2jjx h ILE 32 N 0.18 1.02 -0.51 6.26 2.04 -1.24 -1.30 117.51 123.96 2jjx h ILE 32 Ca 0.07 -0.24 -0.08 0.00 1.00 0.00 0.00 64.86 65.62 2jjx h ILE 32 Cb 0.02 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 2jjx h ILE 32 CO -0.06 0.13 0.02 0.00 0.00 0.00 0.00 178.15 178.23 2jjx h ALA 33 N 1.29 0.68 -0.51 1.87 0.00 -1.19 -2.09 119.26 119.31 2jjx h ALA 33 Ca 0.26 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2jjx h ALA 33 Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2jjx h ALA 33 CO -0.13 0.48 0.12 -0.91 0.00 0.00 0.00 179.25 178.81 2jjx h ASN 34 N 0.76 0.78 0.16 0.00 2.35 -0.88 0.06 115.58 118.82 2jjx h ASN 34 Ca 0.15 -0.23 -0.06 0.00 -0.55 0.00 0.00 56.30 55.60 2jjx h ASN 34 Cb 0.50 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2jjx h ASN 34 CO 0.02 0.81 -0.24 -0.33 -1.65 0.00 0.00 177.43 176.05 2jjx h GLU 35 N 0.71 0.14 0.10 0.81 4.39 -1.16 -0.60 114.58 118.98 2jjx h GLU 35 Ca 0.16 -0.04 -0.26 0.00 0.34 0.00 0.00 59.36 59.56 2jjx h GLU 35 Cb 0.34 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2jjx h GLU 35 CO 0.00 0.37 -1.18 0.82 -1.16 0.00 0.00 179.01 177.87 2jjx h ILE 36 N 0.13 1.50 -0.27 3.13 2.04 -0.97 -3.31 117.51 119.76 2jjx h ILE 36 Ca 0.02 -2.98 -0.16 0.00 1.00 0.00 0.00 64.86 62.74 2jjx h ILE 36 Cb 0.49 2.85 0.00 0.00 -0.74 0.00 0.00 36.82 39.43 2jjx h ILE 36 CO 0.03 0.87 -0.47 -0.07 0.00 0.00 0.00 178.15 178.52 2jjx h LEU 37 N 0.09 0.87 -1.77 1.44 3.38 -0.59 -2.76 115.31 115.97 2jjx h LEU 37 Ca -0.12 -0.53 0.28 0.00 0.09 0.00 0.00 57.88 57.61 2jjx h LEU 37 Cb 1.89 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 42.33 2jjx h LEU 37 CO 0.19 1.24 0.72 0.77 0.09 0.00 0.00 178.44 181.45 2jjx h SER 38 N 0.54 0.16 0.06 -0.43 4.64 -1.20 0.33 113.55 117.65 2jjx h SER 38 Ca 0.02 0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.23 2jjx h SER 38 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 2jjx h SER 38 CO 0.11 0.04 -0.67 0.40 -0.87 0.00 0.00 176.83 175.84 2jjx h ILE 39 N 0.15 1.46 -0.22 0.95 2.04 -1.60 -3.33 117.51 116.95 2jjx h ILE 39 Ca 0.52 -2.39 -0.04 0.00 1.00 0.00 0.00 64.86 63.95 2jjx h ILE 39 Cb 1.78 3.06 -0.01 0.00 -0.74 0.00 0.00 36.82 40.91 2jjx h ILE 39 CO -0.10 0.62 -0.06 1.62 0.00 0.00 0.00 178.15 180.23 2jjx h VAL 40 N -0.69 1.17 0.00 1.67 3.04 -0.75 -0.73 116.25 119.97 2jjx h VAL 40 Ca -0.14 -0.70 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 2jjx h VAL 40 Cb 1.37 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 2jjx h VAL 40 CO 0.03 0.23 0.12 0.44 -1.01 0.00 0.00 177.57 177.37 2jjx h ASP 41 N 0.32 0.00 -0.60 3.17 3.32 -0.55 2.16 116.42 124.24 2jjx h ASP 41 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2jjx h ASP 41 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2jjx h ASP 41 CO 0.01 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.71 2jjx n LEU 42 N -2.33 3.73 -1.76 1.55 4.32 -0.28 -4.91 117.00 117.33 2jjx n LEU 42 Ca -0.01 -1.87 -0.17 0.00 -0.02 0.00 0.00 56.01 53.94 2jjx n LEU 42 Cb 0.15 -0.47 -0.02 0.00 -1.62 0.00 0.00 43.42 41.46 2jjx n LEU 42 CO 0.10 0.79 -0.20 0.61 -1.22 0.00 0.00 177.39 177.47 2jjx n GLY 43 N 1.30 0.10 3.75 -0.72 0.00 0.73 -4.98 105.19 105.38 2jjx n GLY 43 Ca 0.22 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 2jjx n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jjx s ILE 44 N -2.78 4.77 -0.18 -0.61 1.01 -1.23 -5.00 121.20 117.17 2jjx s ILE 44 Ca 0.00 1.51 -0.27 0.00 0.00 0.00 0.00 60.65 61.89 2jjx s ILE 44 Cb 0.00 -4.06 -0.01 0.00 0.01 0.00 0.00 42.46 38.41 2jjx s ILE 44 CO 0.00 0.39 0.90 -1.61 0.00 0.00 0.00 174.94 174.62 2jjx s GLU 45 N -0.17 4.29 -0.10 2.79 2.02 0.01 -4.38 118.70 123.17 2jjx s GLU 45 Ca 0.36 1.13 -0.00 0.00 0.02 0.00 0.00 54.97 56.48 2jjx s GLU 45 Cb -0.20 -3.59 -0.03 0.00 0.10 0.00 0.00 34.13 30.41 2jjx s GLU 45 CO 0.21 -0.42 -0.07 0.08 0.02 0.00 0.00 175.26 175.08 2jjx s VAL 46 N 2.45 3.63 0.05 2.63 1.01 -1.26 -0.29 120.40 128.62 2jjx s VAL 46 Ca 0.40 -0.49 0.08 0.00 0.00 0.00 0.00 61.98 61.98 2jjx s VAL 46 Cb -0.16 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 2jjx s VAL 46 CO 0.11 0.56 -0.24 -0.44 0.00 0.00 0.00 175.10 175.09 2jjx s SER 47 N -0.35 2.87 -0.03 3.32 0.01 -0.76 -2.54 113.70 116.22 2jjx s SER 47 Ca 0.05 -0.57 0.05 0.00 1.31 0.00 0.00 55.95 56.79 2jjx s SER 47 Cb -0.12 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 65.85 2jjx s SER 47 CO 0.02 0.21 -0.18 -0.63 0.41 0.00 0.00 173.24 173.07 2jjx s ILE 48 N -0.82 1.48 -0.16 1.44 1.01 -0.29 -0.04 121.20 123.83 2jjx s ILE 48 Ca 0.10 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.99 2jjx s ILE 48 Cb -0.09 -1.26 0.03 0.00 0.01 0.00 0.00 42.46 41.14 2jjx s ILE 48 CO 0.02 0.42 -0.12 -0.69 0.00 0.00 0.00 174.94 174.58 2jjx s VAL 49 N -0.13 1.47 0.15 2.92 1.01 -0.53 -0.62 120.40 124.66 2jjx s VAL 49 Ca -0.00 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.36 2jjx s VAL 49 Cb -0.10 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 2jjx s VAL 49 CO 0.01 0.35 0.08 -0.63 0.00 0.00 0.00 175.10 174.91 2jjx s ILE 50 N 1.51 4.22 0.58 2.22 1.01 -1.25 -0.54 121.20 128.95 2jjx s ILE 50 Ca 0.03 -1.13 0.02 0.00 0.00 0.00 0.00 60.65 59.57 2jjx s ILE 50 Cb -0.14 -3.12 0.05 0.00 0.01 0.00 0.00 42.46 39.27 2jjx s ILE 50 CO -0.10 -0.06 0.80 -0.83 0.00 0.00 0.00 174.94 174.76 2jjx s GLY 51 N -2.88 1.82 -0.20 6.18 0.00 0.29 -4.79 107.32 107.74 2jjx s GLY 51 Ca 0.29 -1.50 0.14 0.00 0.00 0.00 0.00 44.72 43.65 2jjx s GLY 51 CO 0.21 -1.16 1.29 0.61 0.00 0.00 0.00 173.10 174.06 2jjx n GLY 52 N -2.39 4.80 0.27 0.20 0.00 -1.26 -3.32 105.19 103.49 2jjx n GLY 52 Ca 0.10 -1.19 0.14 0.00 0.00 0.00 0.00 46.02 45.07 2jjx n GLY 52 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jjx h GLY 53 N 0.83 0.00 0.62 -0.02 0.00 -1.86 -2.16 103.07 100.47 2jjx h GLY 53 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2jjx h GLY 53 CO 0.13 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.83 2jjx n ASN 54 N -3.61 0.34 -0.01 0.19 6.94 -1.26 -3.93 115.26 113.91 2jjx n ASN 54 Ca -0.02 -1.17 -0.04 0.00 -0.02 0.00 0.00 54.58 53.34 2jjx n ASN 54 Cb 0.21 -0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.61 2jjx n ASN 54 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 2jjx n ILE 55 N -0.71 0.30 -4.33 1.53 5.41 -0.96 -2.99 119.36 117.62 2jjx n ILE 55 Ca 0.22 -0.01 -0.19 0.00 1.00 0.00 0.00 62.75 63.76 2jjx n ILE 55 Cb 0.16 -1.56 -0.15 0.00 -0.71 0.00 0.00 39.64 37.37 2jjx n ILE 55 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 2jjx s PHE 56 N -2.07 0.84 0.06 1.39 5.36 -0.85 -5.05 117.98 117.65 2jjx s PHE 56 Ca -0.05 -0.20 0.06 0.00 -0.96 0.00 0.00 56.93 55.78 2jjx s PHE 56 Cb 0.02 -0.60 -0.03 0.00 -0.34 0.00 0.00 43.02 42.07 2jjx s PHE 56 CO 0.06 -0.09 -0.16 1.03 -1.46 0.00 0.00 175.22 174.61 2jjx s ARG 57 N 0.19 0.99 0.38 10.12 1.81 -1.26 -4.33 118.95 126.85 2jjx s ARG 57 Ca -0.03 -0.90 0.27 0.00 -1.72 0.00 0.00 55.73 53.35 2jjx s ARG 57 Cb -0.08 -1.06 1.33 0.00 -0.45 0.00 0.00 34.95 34.70 2jjx s ARG 57 CO 0.00 0.25 1.81 0.78 -0.68 0.00 0.00 175.30 177.47 2jjx h GLY 58 N 4.62 0.00 0.40 -3.53 0.00 -1.99 -2.35 103.07 100.23 2jjx h GLY 58 Ca -0.41 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.14 2jjx h GLY 58 CO 0.42 0.00 0.57 0.45 0.00 0.00 0.00 176.54 177.98 2jjx h HIS 59 N 0.00 0.17 0.00 5.60 3.86 -2.00 -1.54 115.15 121.24 2jjx h HIS 59 Ca 0.00 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 2jjx h HIS 59 Cb 0.15 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 2jjx h HIS 59 CO 0.00 0.05 -0.39 1.25 0.86 0.00 0.00 177.93 179.70 2jjx h LEU 60 N 0.13 0.00 -0.99 2.43 7.12 -1.86 -3.24 115.31 118.90 2jjx h LEU 60 Ca 0.40 -0.33 0.34 0.00 0.13 0.00 0.00 57.88 58.42 2jjx h LEU 60 Cb 1.38 0.00 -0.18 0.00 -0.53 0.00 0.00 40.66 41.34 2jjx h LEU 60 CO -0.06 0.88 0.31 0.00 -0.13 0.00 0.00 178.44 179.44 2jjx h ALA 61 N -0.67 1.69 -0.53 1.25 0.00 -1.56 2.38 119.26 121.82 2jjx h ALA 61 Ca -0.07 0.30 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2jjx h ALA 61 Cb 0.63 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2jjx h ALA 61 CO -0.04 -0.76 0.14 1.49 0.00 0.00 0.00 179.25 180.08 2jjx h GLU 62 N 0.02 0.85 -0.71 0.00 4.81 -1.45 0.42 114.58 118.52 2jjx h GLU 62 Ca 0.73 -0.20 0.08 0.00 -0.13 0.00 0.00 59.36 59.84 2jjx h GLU 62 Cb 1.74 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.96 2jjx h GLU 62 CO -0.83 0.79 0.47 0.93 -0.73 0.00 0.00 179.01 179.65 2jjx h GLU 63 N 0.75 0.67 -0.16 1.92 5.08 0.40 -2.00 114.58 121.22 2jjx h GLU 63 Ca 0.17 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2jjx h GLU 63 Cb 0.32 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2jjx h GLU 63 CO -0.00 0.44 0.00 0.91 -1.00 0.00 0.00 179.01 179.36 2jjx n TRP 64 N -4.49 0.38 -3.95 4.33 7.02 -0.76 -5.00 117.44 114.97 2jjx n TRP 64 Ca 0.11 -0.72 -0.26 0.00 -1.02 0.00 0.00 57.50 55.62 2jjx n TRP 64 Cb 0.27 -0.14 -0.02 0.00 -2.42 0.00 0.00 31.31 29.00 2jjx n TRP 64 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jjx n GLY 65 N -0.44 -0.25 3.75 6.99 0.00 0.12 -4.93 105.19 110.42 2jjx n GLY 65 Ca 0.12 0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 2jjx n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jjx s ILE 66 N -3.95 4.14 0.17 -0.61 1.01 0.41 -4.98 121.20 117.38 2jjx s ILE 66 Ca 0.02 2.09 -0.34 0.00 0.00 0.00 0.00 60.65 62.42 2jjx s ILE 66 Cb -0.01 -4.33 -0.14 0.00 0.01 0.00 0.00 42.46 37.99 2jjx s ILE 66 CO 0.89 0.47 1.47 -0.67 0.00 0.00 0.00 174.94 177.10 2jjx n ASP 67 N 1.70 2.63 -0.34 3.58 -0.08 -1.26 -4.66 116.55 118.12 2jjx n ASP 67 Ca -0.01 1.11 0.25 0.00 -1.51 0.00 0.00 54.79 54.62 2jjx n ASP 67 Cb 0.47 -1.37 0.49 0.00 2.34 0.00 0.00 41.12 43.06 2jjx n ASP 67 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2jjx h ARG 68 N 5.11 0.28 -0.03 -0.67 9.65 -1.97 1.33 114.38 128.09 2jjx h ARG 68 Ca -0.45 -0.02 -0.10 0.00 -1.10 0.00 0.00 59.98 58.31 2jjx h ARG 68 Cb 1.28 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.78 2jjx h ARG 68 CO 0.83 0.18 -0.45 0.28 2.80 0.00 0.00 179.97 183.60 2jjx h VAL 69 N 0.28 1.33 0.08 0.20 2.07 -2.00 -1.92 116.25 116.29 2jjx h VAL 69 Ca 0.75 -1.58 -0.28 0.00 0.82 0.00 0.00 66.70 66.40 2jjx h VAL 69 Cb 1.76 1.82 0.02 0.00 -1.52 0.00 0.00 31.29 33.37 2jjx h VAL 69 CO -0.62 0.46 -1.17 -0.33 0.02 0.00 0.00 177.57 175.93 2jjx h GLU 70 N 0.05 0.60 -0.67 1.57 5.08 0.13 -3.02 114.58 118.31 2jjx h GLU 70 Ca 0.00 -0.75 -0.06 0.00 -1.00 0.00 0.00 59.36 57.55 2jjx h GLU 70 Cb 0.83 0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 2jjx h GLU 70 CO 0.06 1.33 0.17 0.00 -1.00 0.00 0.00 179.01 179.57 2jjx h ALA 71 N 0.39 1.03 -0.46 3.43 0.00 -0.72 -2.69 119.26 120.24 2jjx h ALA 71 Ca -0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2jjx h ALA 71 Cb 1.83 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 2jjx h ALA 71 CO 0.22 0.64 0.14 -0.44 0.00 0.00 0.00 179.25 179.81 2jjx h ASP 72 N 1.00 0.62 -0.33 0.00 3.32 -1.36 -0.61 116.42 119.07 2jjx h ASP 72 Ca 0.21 -0.09 -0.14 0.00 0.02 0.00 0.00 57.03 57.04 2jjx h ASP 72 Cb 0.34 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2jjx h ASP 72 CO -0.00 0.60 -0.30 0.78 -1.72 0.00 0.00 179.24 178.59 2jjx h ASN 73 N 0.67 0.89 0.10 6.45 2.35 -1.38 -0.65 115.58 124.01 2jjx h ASN 73 Ca 0.16 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 2jjx h ASN 73 Cb 0.20 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.33 2jjx h ASN 73 CO -0.01 1.12 -0.05 0.40 -1.65 0.00 0.00 177.43 177.24 2jjx h ILE 74 N 0.72 0.99 -0.10 2.81 2.04 -1.10 -2.44 117.51 120.43 2jjx h ILE 74 Ca 0.08 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.61 2jjx h ILE 74 Cb 0.86 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2jjx h ILE 74 CO 0.08 0.09 0.08 1.23 0.00 0.00 0.00 178.15 179.62 2jjx h GLY 75 N -0.30 0.00 1.40 5.37 0.00 -1.01 -2.36 103.07 106.17 2jjx h GLY 75 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.17 2jjx h GLY 75 CO 0.02 0.00 -0.43 -0.84 0.00 0.00 0.00 176.54 175.30 2jjx h THR 76 N 0.00 1.30 -0.17 4.70 2.02 -0.65 -2.72 112.91 117.38 2jjx h THR 76 Ca 0.05 -1.61 -0.05 0.00 0.77 0.00 0.00 66.41 65.56 2jjx h THR 76 Cb 0.20 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 2jjx h THR 76 CO -0.00 0.51 -0.13 -0.07 0.37 0.00 0.00 175.52 176.20 2jjx h LEU 77 N 0.53 0.25 -0.73 2.58 4.07 -1.06 -2.55 115.31 118.41 2jjx h LEU 77 Ca 0.04 -0.05 0.04 0.00 0.08 0.00 0.00 57.88 57.98 2jjx h LEU 77 Cb 0.96 -0.07 -0.05 0.00 1.08 0.00 0.00 40.66 42.59 2jjx h LEU 77 CO 0.09 0.41 0.45 1.23 -1.08 0.00 0.00 178.44 179.55 2jjx h GLY 78 N 0.77 1.06 1.32 0.83 0.00 -1.41 -0.82 103.07 104.82 2jjx h GLY 78 Ca 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2jjx h GLY 78 CO 0.02 0.27 0.43 -0.91 0.00 0.00 0.00 176.54 176.36 2jjx h THR 79 N 0.87 1.18 -0.03 4.70 1.35 -1.41 0.19 112.91 119.76 2jjx h THR 79 Ca 0.30 -0.36 -0.16 0.00 -0.55 0.00 0.00 66.41 65.63 2jjx h THR 79 Cb 0.05 0.20 -0.01 0.00 -1.73 0.00 0.00 68.15 66.66 2jjx h THR 79 CO -0.13 0.18 -0.71 0.40 -0.25 0.00 0.00 175.52 175.02 2jjx h ILE 80 N 0.93 1.44 -0.13 6.82 2.04 -1.25 0.35 117.51 127.71 2jjx h ILE 80 Ca 0.25 -2.27 -0.03 0.00 1.00 0.00 0.00 64.86 63.81 2jjx h ILE 80 Cb -0.08 2.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.21 2jjx h ILE 80 CO -0.05 0.66 -0.04 0.40 0.00 0.00 0.00 178.15 179.12 2jjx h ILE 81 N 0.12 1.30 -0.50 -0.67 2.04 -0.12 -1.65 117.51 118.03 2jjx h ILE 81 Ca -0.02 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 64.82 2jjx h ILE 81 Cb 1.26 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 39.03 2jjx h ILE 81 CO 0.11 0.29 0.30 0.78 0.00 0.00 0.00 178.15 179.63 2jjx h ASN 82 N -0.07 0.60 -0.65 1.72 2.35 -0.93 -0.74 115.58 117.86 2jjx h ASN 82 Ca 0.03 -0.05 0.09 0.00 -0.55 0.00 0.00 56.30 55.82 2jjx h ASN 82 Cb 0.48 -0.15 -0.07 0.00 0.05 0.00 0.00 38.32 38.62 2jjx h ASN 82 CO 0.01 0.48 0.29 0.28 -1.65 0.00 0.00 177.43 176.85 2jjx h SER 83 N 0.67 0.36 -0.29 5.81 0.02 -0.89 -0.55 113.55 118.68 2jjx h SER 83 Ca 0.18 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.15 2jjx h SER 83 Cb -0.01 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2jjx h SER 83 CO -0.03 0.21 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.79 2jjx h LEU 84 N 0.51 0.51 0.00 5.07 4.07 -0.72 -2.12 115.31 122.64 2jjx h LEU 84 Ca 0.32 -0.32 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2jjx h LEU 84 Cb 0.36 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 41.96 2jjx h LEU 84 CO -0.28 0.70 0.00 0.23 -1.08 0.00 0.00 178.44 178.02 2jjx n MET 85 N -4.57 0.00 -0.04 1.13 2.81 -0.34 -2.02 117.12 114.10 2jjx n MET 85 Ca -0.03 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 2jjx n MET 85 Cb 0.26 -1.06 0.01 0.00 -0.71 0.00 0.00 33.22 31.72 2jjx n MET 85 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 2jjx n LEU 86 N -0.86 -0.06 -0.25 4.03 -0.00 -0.25 0.36 117.00 119.98 2jjx n LEU 86 Ca 0.00 0.18 -0.03 0.00 -0.00 0.00 0.00 56.01 56.17 2jjx n LEU 86 Cb 0.00 -0.05 0.09 0.00 -0.00 0.00 0.00 43.42 43.46 2jjx n LEU 86 CO 0.00 -0.17 1.13 -0.09 -0.00 0.00 0.00 177.39 178.26 2jjx h ARG 87 N 0.00 0.79 -0.24 1.96 2.43 -1.19 0.12 114.38 118.26 2jjx h ARG 87 Ca 0.04 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 2jjx h ARG 87 Cb 0.07 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 2jjx h ARG 87 CO -0.11 0.52 0.06 0.78 -1.51 0.00 0.00 179.97 179.72 2jjx h GLY 88 N 0.81 0.28 1.01 2.80 0.00 0.71 -0.68 103.07 107.99 2jjx h GLY 88 Ca 0.29 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.54 2jjx h GLY 88 CO -0.13 0.01 0.14 -2.08 0.00 0.00 0.00 176.54 174.48 2jjx h VAL 89 N 0.16 1.25 -0.42 4.60 2.07 -0.93 -2.44 116.25 120.54 2jjx h VAL 89 Ca 0.11 -0.89 -0.10 0.00 0.82 0.00 0.00 66.70 66.64 2jjx h VAL 89 Cb 0.09 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2jjx h VAL 89 CO -0.13 0.33 -0.14 -0.07 0.02 0.00 0.00 177.57 177.58 2jjx h LEU 90 N 0.82 0.76 -0.66 2.57 4.07 -0.46 -3.06 115.31 119.35 2jjx h LEU 90 Ca 0.18 -0.24 -0.10 0.00 0.08 0.00 0.00 57.88 57.80 2jjx h LEU 90 Cb 0.34 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.86 2jjx h LEU 90 CO 0.00 0.91 -0.03 0.74 -1.08 0.00 0.00 178.44 178.98 2jjx h THR 91 N 0.69 1.26 -0.74 0.22 2.02 -0.91 -0.94 112.91 114.51 2jjx h THR 91 Ca 0.11 -1.17 0.07 0.00 0.77 0.00 0.00 66.41 66.20 2jjx h THR 91 Cb 0.62 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 67.85 2jjx h THR 91 CO 0.04 0.42 0.49 0.77 0.37 0.00 0.00 175.52 177.61 2jjx h SER 92 N 0.92 0.67 -0.00 4.18 4.64 -1.34 -3.01 113.55 119.60 2jjx h SER 92 Ca 0.16 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2jjx h SER 92 Cb 0.58 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2jjx h SER 92 CO 0.03 0.43 -0.84 0.29 -0.87 0.00 0.00 176.83 175.87 2jjx n LYS 93 N -4.48 0.82 -4.67 4.77 5.02 -0.95 -5.00 118.16 113.67 2jjx n LYS 93 Ca 0.11 -0.11 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 2jjx n LYS 93 Cb 0.24 -1.39 -0.10 0.00 -0.02 0.00 0.00 35.03 33.76 2jjx n LYS 93 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2jjx s THR 94 N -2.72 1.64 -0.06 -0.18 2.01 -0.40 -5.01 115.64 110.91 2jjx s THR 94 Ca 0.08 -2.00 0.02 0.00 0.31 0.00 0.00 61.69 60.10 2jjx s THR 94 Cb 0.15 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 2jjx s THR 94 CO 0.74 0.00 0.06 0.59 -0.69 0.00 0.00 174.62 175.33 2jjx n ASN 95 N -1.08 1.24 -4.74 3.53 3.02 -1.26 -4.79 115.26 111.18 2jjx n ASN 95 Ca -0.10 -0.40 -0.32 0.00 -0.03 0.00 0.00 54.58 53.72 2jjx n ASN 95 Cb 0.67 1.02 0.10 0.00 -0.61 0.00 0.00 39.78 40.96 2jjx n ASN 95 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2jjx s LYS 96 N -1.41 2.12 -0.02 3.52 -0.14 -1.26 -4.98 119.74 117.57 2jjx s LYS 96 Ca 0.00 1.41 -0.25 0.00 -1.36 0.00 0.00 55.97 55.77 2jjx s LYS 96 Cb 0.01 -1.86 -0.04 0.00 -1.68 0.00 0.00 37.83 34.26 2jjx s LYS 96 CO 0.07 -1.78 0.78 -1.21 -0.76 0.00 0.00 175.35 172.45 2jjx s GLU 97 N -4.46 4.48 -0.18 1.68 0.41 -1.26 -4.94 118.70 114.43 2jjx s GLU 97 Ca 0.66 1.05 0.01 0.00 -0.41 0.00 0.00 54.97 56.27 2jjx s GLU 97 Cb -0.21 -3.43 0.01 0.00 -1.78 0.00 0.00 34.13 28.72 2jjx s GLU 97 CO 0.51 0.10 -0.18 0.14 -0.49 0.00 0.00 175.26 175.33 2jjx s VAL 98 N 0.61 2.24 -0.13 2.63 -7.23 -1.26 -0.06 120.40 117.19 2jjx s VAL 98 Ca 0.41 -0.88 -0.01 0.00 -1.81 0.00 0.00 61.98 59.69 2jjx s VAL 98 Cb -0.19 -1.95 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 2jjx s VAL 98 CO 0.22 0.53 -0.12 -0.13 -0.31 0.00 0.00 175.10 175.29 2jjx s ARG 99 N 1.25 3.42 -0.27 4.82 1.81 0.17 -4.94 118.95 125.21 2jjx s ARG 99 Ca 0.03 -0.66 -0.12 0.00 -1.72 0.00 0.00 55.73 53.27 2jjx s ARG 99 Cb -0.13 -2.67 -0.05 0.00 -0.45 0.00 0.00 34.95 31.64 2jjx s ARG 99 CO -0.10 0.23 0.23 0.08 -0.68 0.00 0.00 175.30 175.05 2jjx s VAL 100 N 0.33 5.29 -0.09 3.52 1.01 -1.26 0.35 120.40 129.55 2jjx s VAL 100 Ca -0.10 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.19 2jjx s VAL 100 Cb -0.16 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 2jjx s VAL 100 CO 0.05 0.25 -0.23 -0.04 0.00 0.00 0.00 175.10 175.13 2jjx s MET 101 N 1.69 2.94 0.02 2.72 -1.94 0.35 -1.64 119.30 123.45 2jjx s MET 101 Ca 0.09 -0.87 0.02 0.00 -1.71 0.00 0.00 55.69 53.22 2jjx s MET 101 Cb -0.16 -2.29 -0.04 0.00 2.01 0.00 0.00 34.83 34.36 2jjx s MET 101 CO 0.10 0.24 0.00 0.95 -0.01 0.00 0.00 175.02 176.30 2jjx s THR 102 N 0.20 4.14 -1.40 2.05 -4.23 -0.42 -1.78 115.64 114.19 2jjx s THR 102 Ca -0.14 -0.68 0.28 0.00 -1.18 0.00 0.00 61.69 59.96 2jjx s THR 102 Cb -0.17 -2.88 0.28 0.00 1.34 0.00 0.00 72.50 71.08 2jjx s THR 102 CO 0.07 0.32 1.72 -1.54 -0.54 0.00 0.00 174.62 174.65 2jjx n SER 103 N 1.20 0.48 -3.87 3.99 3.41 -1.04 0.35 113.62 118.14 2jjx n SER 103 Ca -0.14 -0.36 -0.29 0.00 -0.26 0.00 0.00 58.87 57.82 2jjx n SER 103 Cb 0.52 -0.04 -0.13 0.00 -0.26 0.00 0.00 64.21 64.31 2jjx n SER 103 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2jjx s ILE 104 N -2.69 2.50 -0.41 -1.33 1.01 -1.26 -4.84 121.20 114.17 2jjx s ILE 104 Ca 0.21 -3.73 -0.41 0.00 0.00 0.00 0.00 60.65 56.73 2jjx s ILE 104 Cb 0.19 -2.68 -0.16 0.00 0.01 0.00 0.00 42.46 39.82 2jjx s ILE 104 CO 0.54 -0.95 2.04 -0.81 0.00 0.00 0.00 174.94 175.76 2jjx n PRO 105 N 2.52 0.55 -0.04 2.79 -0.04 -1.26 -4.76 135.00 134.76 2jjx n PRO 105 Ca 0.15 0.17 0.02 0.00 -0.04 0.00 0.00 63.50 63.80 2jjx n PRO 105 Cb 0.35 -1.92 -0.15 0.00 -0.04 0.00 0.00 33.50 31.74 2jjx n PRO 105 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2jjx n PHE 106 N 7.58 0.00 -1.27 0.54 3.72 -1.26 -5.00 117.46 121.77 2jjx n PHE 106 Ca 0.43 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.83 2jjx n PHE 106 Cb 0.07 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 38.00 2jjx n PHE 106 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2jjx n ASN 107 N -2.37 -3.63 -1.88 4.37 3.02 -1.08 -4.44 115.26 109.26 2jjx n ASN 107 Ca -0.14 0.72 -0.11 0.00 -0.03 0.00 0.00 54.58 55.02 2jjx n ASN 107 Cb 0.74 -3.05 -0.03 0.00 -0.61 0.00 0.00 39.78 36.83 2jjx n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2jjx n ALA 108 N -1.89 -0.48 0.00 5.41 0.00 -1.26 -4.35 120.51 117.94 2jjx n ALA 108 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2jjx n ALA 108 Cb 0.15 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2jjx n ALA 108 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2jjx n VAL 109 N -2.53 0.00 -3.84 0.00 3.14 -1.26 -5.12 118.33 108.72 2jjx n VAL 109 Ca -0.13 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.17 2jjx n VAL 109 Cb 0.49 -0.18 -0.04 0.00 -1.06 0.00 0.00 33.84 33.05 2jjx n VAL 109 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jjx s ALA 110 N -1.47 -0.79 0.18 1.55 0.00 -1.26 -5.04 121.76 114.93 2jjx s ALA 110 Ca 0.00 -0.43 -0.29 0.00 0.00 0.00 0.00 51.96 51.24 2jjx s ALA 110 Cb 0.00 0.91 -0.08 0.00 0.00 0.00 0.00 23.12 23.96 2jjx s ALA 110 CO 0.00 -0.86 0.93 -1.83 0.00 0.00 0.00 175.76 174.00 2jjx s GLU 111 N -3.92 4.76 0.30 0.00 -1.05 -0.65 -2.64 118.70 115.49 2jjx s GLU 111 Ca 0.13 1.44 -0.30 0.00 -0.15 0.00 0.00 54.97 56.09 2jjx s GLU 111 Cb -0.02 -3.32 -0.11 0.00 -0.44 0.00 0.00 34.13 30.24 2jjx s GLU 111 CO 0.02 0.40 1.57 -1.25 0.95 0.00 0.00 175.26 176.95 2jjx s PRO 112 N -0.69 4.13 0.16 -4.83 0.04 -1.26 -1.30 135.00 131.25 2jjx s PRO 112 Ca 0.43 2.55 -0.31 0.00 0.04 0.00 0.00 61.00 63.70 2jjx s PRO 112 Cb -0.25 -3.03 -0.11 0.00 0.04 0.00 0.00 34.50 31.16 2jjx s PRO 112 CO 0.30 -0.60 1.73 -0.47 0.04 0.00 0.00 177.00 178.01 2jjx s TYR 113 N -0.13 2.62 -0.06 0.56 5.04 0.15 -4.72 117.35 120.83 2jjx s TYR 113 Ca 0.62 0.26 -0.02 0.00 -2.44 0.00 0.00 57.07 55.48 2jjx s TYR 113 Cb -0.47 -4.11 0.03 0.00 0.35 0.00 0.00 41.96 37.76 2jjx s TYR 113 CO 0.49 -4.34 0.05 0.42 -1.34 0.00 0.00 175.55 170.83 2jjx s ILE 114 N 1.84 0.03 0.00 3.14 1.01 -1.26 -4.96 121.20 121.01 2jjx s ILE 114 Ca 0.76 0.30 0.00 0.00 0.00 0.00 0.00 60.65 61.71 2jjx s ILE 114 Cb -0.47 -0.29 0.00 0.00 0.01 0.00 0.00 42.46 41.71 2jjx s ILE 114 CO 0.33 0.17 0.94 -1.14 0.00 0.00 0.00 174.94 175.24 2jjx n ARG 115 N 5.25 0.00 0.31 2.79 3.00 -1.26 -0.36 116.66 126.39 2jjx n ARG 115 Ca -0.04 0.82 0.19 0.00 -0.00 0.00 0.00 57.85 58.82 2jjx n ARG 115 Cb 0.50 -1.44 1.03 0.00 0.00 0.00 0.00 32.46 32.55 2jjx n ARG 115 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 2jjx h LEU 116 N 0.00 0.00 -0.18 6.15 4.07 -1.98 0.86 115.31 124.24 2jjx h LEU 116 Ca 0.00 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.74 2jjx h LEU 116 Cb 0.00 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.75 2jjx h LEU 116 CO 0.00 0.00 -0.78 -0.09 -1.08 0.00 0.00 178.44 176.49 2jjx h ARG 117 N 0.00 0.76 -0.25 1.13 2.43 -1.79 -1.74 114.38 114.93 2jjx h ARG 117 Ca 0.02 -0.63 -0.03 0.00 -0.81 0.00 0.00 59.98 58.53 2jjx h ARG 117 Cb 0.22 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 2jjx h ARG 117 CO -0.00 1.23 0.02 0.00 -1.51 0.00 0.00 179.97 179.72 2jjx h ALA 118 N 0.59 0.33 0.01 2.80 0.00 0.36 -0.48 119.26 122.86 2jjx h ALA 118 Ca -0.05 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.67 2jjx h ALA 118 Cb 1.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2jjx h ALA 118 CO 0.16 0.03 -0.06 0.28 0.00 0.00 0.00 179.25 179.65 2jjx h VAL 119 N 0.21 0.84 -0.41 0.00 2.07 -0.90 -2.32 116.25 115.73 2jjx h VAL 119 Ca 0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.68 2jjx h VAL 119 Cb 0.36 0.84 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 2jjx h VAL 119 CO 0.01 0.00 -0.24 -0.74 0.02 0.00 0.00 177.57 176.62 2jjx h HIS 120 N -0.12 -0.63 0.17 1.57 6.17 -1.17 0.96 115.15 122.09 2jjx h HIS 120 Ca 0.02 0.05 0.01 0.00 0.71 0.00 0.00 60.37 61.17 2jjx h HIS 120 Cb 0.14 0.34 -0.04 0.00 2.52 0.00 0.00 27.41 30.37 2jjx h HIS 120 CO -0.13 -0.32 -0.49 0.45 0.71 0.00 0.00 177.93 178.16 2jjx h HIS 121 N -0.17 -1.39 -0.88 5.26 3.86 -0.81 0.00 115.15 121.03 2jjx h HIS 121 Ca 0.20 0.03 0.21 0.00 -1.16 0.00 0.00 60.37 59.65 2jjx h HIS 121 Cb 0.48 0.58 -0.12 0.00 1.06 0.00 0.00 27.41 29.41 2jjx h HIS 121 CO -0.48 -0.58 0.38 -0.07 0.86 0.00 0.00 177.93 178.04 2jjx h LEU 122 N -0.75 0.33 -1.45 2.43 4.07 -1.02 0.85 115.31 119.76 2jjx h LEU 122 Ca -0.00 0.15 -0.04 0.00 0.08 0.00 0.00 57.88 58.06 2jjx h LEU 122 Cb 0.75 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.60 2jjx h LEU 122 CO -0.25 0.02 -0.09 0.44 -1.08 0.00 0.00 178.44 177.49 2jjx h ASP 123 N 0.41 0.24 -0.31 -0.43 5.19 -0.28 -1.57 116.42 119.67 2jjx h ASP 123 Ca 0.54 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.91 2jjx h ASP 123 Cb 0.99 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.44 2jjx h ASP 123 CO -0.51 0.36 0.00 0.59 -3.12 0.00 0.00 179.24 176.56 2jjx n ASN 124 N -4.31 2.06 -1.33 6.45 3.02 0.28 -4.90 115.26 116.54 2jjx n ASN 124 Ca -0.00 -2.10 -0.11 0.00 -0.03 0.00 0.00 54.58 52.33 2jjx n ASN 124 Cb 0.24 -0.31 -0.00 0.00 -0.61 0.00 0.00 39.78 39.10 2jjx n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jjx n GLY 125 N 0.83 -0.05 3.91 7.41 0.00 -0.57 -5.03 105.19 111.68 2jjx n GLY 125 Ca 0.11 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 2jjx n GLY 125 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jjx s TYR 126 N -2.61 3.53 -0.28 1.61 2.02 -0.76 -4.66 117.35 116.21 2jjx s TYR 126 Ca 0.03 0.77 -0.12 0.00 -0.37 0.00 0.00 57.07 57.39 2jjx s TYR 126 Cb -0.01 -2.33 -0.05 0.00 -0.40 0.00 0.00 41.96 39.17 2jjx s TYR 126 CO 0.04 -0.32 0.21 0.42 -1.57 0.00 0.00 175.55 174.34 2jjx s ILE 127 N -2.75 5.29 -0.07 2.71 1.01 0.91 -4.41 121.20 123.89 2jjx s ILE 127 Ca 0.48 0.23 0.01 0.00 0.00 0.00 0.00 60.65 61.36 2jjx s ILE 127 Cb -0.10 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 2jjx s ILE 127 CO 0.45 0.24 -0.07 0.68 0.00 0.00 0.00 174.94 176.23 2jjx s VAL 128 N 1.77 3.65 -0.08 2.92 -7.23 -1.05 0.44 120.40 120.82 2jjx s VAL 128 Ca 0.08 -0.50 0.04 0.00 -1.81 0.00 0.00 61.98 59.80 2jjx s VAL 128 Cb -0.16 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 2jjx s VAL 128 CO 0.11 0.59 -0.22 -0.63 -0.31 0.00 0.00 175.10 174.63 2jjx s ILE 129 N -0.73 2.25 -0.18 -0.62 1.01 0.15 -1.14 121.20 121.94 2jjx s ILE 129 Ca 0.11 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 2jjx s ILE 129 Cb -0.11 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 2jjx s ILE 129 CO 0.01 0.56 -0.02 -0.36 0.00 0.00 0.00 174.94 175.14 2jjx s PHE 130 N 0.06 3.03 0.21 3.97 0.40 0.21 -0.49 117.98 125.36 2jjx s PHE 130 Ca -0.10 -0.41 0.12 0.00 -0.60 0.00 0.00 56.93 55.94 2jjx s PHE 130 Cb -0.15 -2.03 -0.05 0.00 0.51 0.00 0.00 43.02 41.30 2jjx s PHE 130 CO 0.06 -0.17 -0.23 0.20 0.70 0.00 0.00 175.22 175.78 2jjx s GLY 131 N 0.76 1.74 -0.03 4.36 0.00 -0.74 -4.05 107.32 109.36 2jjx s GLY 131 Ca -0.01 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.03 2jjx s GLY 131 CO 0.02 -1.72 0.00 0.61 0.00 0.00 0.00 173.10 172.01 2jjx n GLY 132 N 0.11 0.41 6.48 0.20 0.00 -1.26 -2.50 105.19 108.64 2jjx n GLY 132 Ca -0.11 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2jjx n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jjx n GLY 133 N -2.96 1.73 0.06 -0.02 0.00 -1.26 -1.67 105.19 101.07 2jjx n GLY 133 Ca -0.00 0.55 -0.03 0.00 0.00 0.00 0.00 46.02 46.54 2jjx n GLY 133 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jjx n ASN 134 N 3.69 1.10 0.00 1.61 4.05 -1.26 -4.68 115.26 119.77 2jjx n ASN 134 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2jjx n ASN 134 Cb 0.00 1.16 0.00 0.00 1.23 0.00 0.00 39.78 42.17 2jjx n ASN 134 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2jjx n GLY 135 N 1.87 2.31 3.95 8.20 0.00 -0.67 -5.01 105.19 115.83 2jjx n GLY 135 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 2jjx n GLY 135 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jjx s GLN 136 N -0.56 3.24 0.52 1.61 -1.52 -1.26 -5.06 119.66 116.62 2jjx s GLN 136 Ca 0.00 -0.39 0.09 0.00 -1.95 0.00 0.00 55.36 53.11 2jjx s GLN 136 Cb 0.00 -2.58 0.05 0.00 -0.22 0.00 0.00 33.01 30.26 2jjx s GLN 136 CO 0.00 -0.13 0.66 -1.25 -0.25 0.00 0.00 175.29 174.32 2jjx s PRO 137 N -4.49 2.46 -0.30 2.91 0.04 -1.26 -4.49 135.00 129.86 2jjx s PRO 137 Ca 0.45 -1.57 0.00 0.00 0.04 0.00 0.00 61.00 59.92 2jjx s PRO 137 Cb -0.10 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.85 2jjx s PRO 137 CO 0.38 -0.63 0.00 1.19 0.04 0.00 0.00 177.00 177.98 2jjx n PHE 138 N -2.03 0.00 -4.54 0.56 0.99 -1.26 -4.95 117.46 106.22 2jjx n PHE 138 Ca 0.11 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.32 2jjx n PHE 138 Cb 0.61 -1.90 -0.14 0.00 -1.00 0.00 0.00 39.48 37.05 2jjx n PHE 138 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2jjx s VAL 139 N -1.40 1.54 0.74 -4.37 0.11 -1.26 -5.15 120.40 110.61 2jjx s VAL 139 Ca 0.00 -1.18 -0.03 0.00 -2.93 0.00 0.00 61.98 57.84 2jjx s VAL 139 Cb 0.00 -1.35 0.13 0.00 -1.53 0.00 0.00 36.38 33.62 2jjx s VAL 139 CO 0.00 0.13 1.02 -0.89 -3.33 0.00 0.00 175.10 172.03 2jjx s THR 140 N -0.84 2.16 0.34 5.04 2.01 -1.26 -4.99 115.64 118.10 2jjx s THR 140 Ca 0.06 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 61.56 2jjx s THR 140 Cb -0.09 -2.64 0.24 0.00 0.01 0.00 0.00 72.50 70.02 2jjx s THR 140 CO 0.02 0.00 1.97 0.74 -0.69 0.00 0.00 174.62 176.66 2jjx h THR 141 N -0.62 1.17 0.07 -0.82 2.02 -2.01 -3.20 112.91 109.53 2jjx h THR 141 Ca -0.38 -0.41 0.01 0.00 0.77 0.00 0.00 66.41 66.40 2jjx h THR 141 Cb 1.27 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 68.02 2jjx h THR 141 CO 0.42 0.19 -0.42 0.44 0.37 0.00 0.00 175.52 176.51 2jjx h ASP 142 N 0.80 -1.28 -0.18 4.18 3.32 -1.99 -2.74 116.42 118.53 2jjx h ASP 142 Ca 0.21 0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.43 2jjx h ASP 142 Cb 0.00 0.48 -0.07 0.00 0.22 0.00 0.00 39.33 39.96 2jjx h ASP 142 CO -0.04 -0.44 -0.47 0.22 -1.72 0.00 0.00 179.24 176.79 2jjx h TYR 143 N -0.58 -1.39 -0.56 4.55 3.20 -1.93 -1.00 116.97 119.26 2jjx h TYR 143 Ca -0.00 0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.97 2jjx h TYR 143 Cb 0.59 0.63 -0.03 0.00 1.54 0.00 0.00 36.73 39.46 2jjx h TYR 143 CO -0.44 -0.50 0.37 -1.35 -1.64 0.00 0.00 178.16 174.60 2jjx h PRO 144 N -0.51 0.58 -0.55 1.82 0.10 -1.70 0.39 132.00 132.13 2jjx h PRO 144 Ca 0.07 -0.03 -0.09 0.00 0.10 0.00 0.00 66.00 66.04 2jjx h PRO 144 Cb 0.65 -0.13 -0.02 0.00 0.10 0.00 0.00 31.00 31.59 2jjx h PRO 144 CO -0.44 0.38 -0.03 0.66 0.10 0.00 0.00 178.00 178.67 2jjx h SER 145 N 0.59 0.95 0.38 -2.05 4.64 -1.01 0.24 113.55 117.30 2jjx h SER 145 Ca 0.23 -0.27 -0.16 0.00 -0.47 0.00 0.00 61.79 61.12 2jjx h SER 145 Cb 0.17 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 2jjx h SER 145 CO -0.06 1.03 -0.65 1.62 -0.87 0.00 0.00 176.83 177.89 2jjx h VAL 146 N 0.89 1.40 -0.32 0.95 3.04 -0.54 -1.12 116.25 120.55 2jjx h VAL 146 Ca 0.16 -2.08 -0.05 0.00 -1.01 0.00 0.00 66.70 63.72 2jjx h VAL 146 Cb 0.56 2.07 -0.01 0.00 -2.01 0.00 0.00 31.29 31.90 2jjx h VAL 146 CO 0.03 0.61 -0.00 -0.61 -1.01 0.00 0.00 177.57 176.59 2jjx h GLN 147 N 0.18 0.57 -0.28 4.17 4.15 -0.62 -1.93 115.11 121.35 2jjx h GLN 147 Ca -0.01 -0.18 -0.10 0.00 0.77 0.00 0.00 58.65 59.12 2jjx h GLN 147 Cb 1.18 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 2jjx h GLN 147 CO 0.10 0.70 -0.26 0.00 -1.93 0.00 0.00 178.83 177.44 2jjx h ARG 148 N 0.37 0.55 -0.20 1.69 2.47 -0.52 -1.20 114.38 117.54 2jjx h ARG 148 Ca 0.09 -0.22 0.04 0.00 -1.26 0.00 0.00 59.98 58.64 2jjx h ARG 148 Cb 0.45 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.70 2jjx h ARG 148 CO 0.02 0.76 -0.07 0.00 0.56 0.00 0.00 179.97 181.23 2jjx h ALA 149 N 1.24 0.10 -0.29 0.04 0.00 -0.99 -0.84 119.26 118.53 2jjx h ALA 149 Ca 0.07 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 2jjx h ALA 149 Cb 0.71 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2jjx h ALA 149 CO 0.05 -0.50 -0.23 0.82 0.00 0.00 0.00 179.25 179.40 2jjx h ILE 150 N -0.04 1.30 -0.38 0.00 2.04 -1.25 -0.84 117.51 118.34 2jjx h ILE 150 Ca 0.10 -1.38 0.11 0.00 1.00 0.00 0.00 64.86 64.70 2jjx h ILE 150 Cb 0.19 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 2jjx h ILE 150 CO -0.23 0.44 0.31 -0.33 0.00 0.00 0.00 178.15 178.34 2jjx h GLU 151 N 0.42 0.00 -0.45 2.37 5.08 -1.02 -0.40 114.58 120.58 2jjx h GLU 151 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2jjx h GLU 151 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2jjx h GLU 151 CO 0.06 0.00 0.00 -0.12 -1.00 0.00 0.00 179.01 177.95 2jjx n MET 152 N -4.21 2.40 -3.60 2.33 1.56 -0.34 -4.92 117.12 110.35 2jjx n MET 152 Ca 0.06 -2.14 -0.23 0.00 -0.27 0.00 0.00 57.70 55.12 2jjx n MET 152 Cb 0.49 -1.49 0.08 0.00 2.15 0.00 0.00 33.22 34.44 2jjx n MET 152 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 2jjx n ASN 153 N 1.31 -5.48 -4.78 6.12 3.02 -0.16 -4.95 115.26 110.34 2jjx n ASN 153 Ca 0.20 -0.58 -0.36 0.00 -0.03 0.00 0.00 54.58 53.81 2jjx n ASN 153 Cb 0.55 -4.94 -0.02 0.00 -0.61 0.00 0.00 39.78 34.77 2jjx n ASN 153 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2jjx s SER 154 N -3.50 6.20 0.12 6.41 0.01 -0.36 -4.89 113.70 117.69 2jjx s SER 154 Ca 0.49 2.12 0.09 0.00 1.31 0.00 0.00 55.95 59.97 2jjx s SER 154 Cb -0.22 -2.58 -0.17 0.00 0.21 0.00 0.00 66.02 63.26 2jjx s SER 154 CO 0.74 -0.88 1.20 0.44 0.41 0.00 0.00 173.24 175.14 2jjx h ASP 155 N 1.77 0.00 -5.04 2.44 3.32 -0.97 -3.46 116.42 114.48 2jjx h ASP 155 Ca -0.49 0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.63 2jjx h ASP 155 Cb 1.24 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.71 2jjx h ASP 155 CO 0.59 0.91 0.30 0.00 -1.72 0.00 0.00 179.24 179.32 2jjx s ALA 156 N -2.74 -1.42 -0.11 3.45 0.00 -1.23 -4.40 121.76 115.32 2jjx s ALA 156 Ca 0.00 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.01 2jjx s ALA 156 Cb 0.09 0.79 0.01 0.00 0.00 0.00 0.00 23.12 24.01 2jjx s ALA 156 CO 0.81 -0.96 -0.18 -1.50 0.00 0.00 0.00 175.76 173.92 2jjx s ILE 157 N -3.70 1.69 -0.39 0.00 2.07 -0.26 -2.80 121.20 117.81 2jjx s ILE 157 Ca 0.09 -0.77 -0.11 0.00 -1.41 0.00 0.00 60.65 58.44 2jjx s ILE 157 Cb -0.04 -1.51 0.04 0.00 0.13 0.00 0.00 42.46 41.08 2jjx s ILE 157 CO 0.01 0.48 0.23 -0.76 -1.91 0.00 0.00 174.94 172.99 2jjx s LEU 158 N 0.75 4.85 -0.71 8.50 1.43 -0.36 -1.41 118.68 131.73 2jjx s LEU 158 Ca -0.11 -1.09 -0.16 0.00 -1.03 0.00 0.00 54.13 51.74 2jjx s LEU 158 Cb -0.16 -2.03 0.15 0.00 0.03 0.00 0.00 46.19 44.18 2jjx s LEU 158 CO 0.02 -0.43 0.73 0.54 0.23 0.00 0.00 176.35 177.44 2jjx s VAL 159 N 1.54 5.18 -0.09 -1.59 0.11 0.85 -0.70 120.40 125.70 2jjx s VAL 159 Ca 0.02 -1.72 -0.30 0.00 -2.93 0.00 0.00 61.98 57.06 2jjx s VAL 159 Cb -0.20 -4.48 -0.04 0.00 -1.53 0.00 0.00 36.38 30.13 2jjx s VAL 159 CO 0.06 -1.08 1.43 0.00 -3.33 0.00 0.00 175.10 172.19 2jjx s ALA 160 N 1.53 3.63 0.37 1.54 0.00 -0.98 -3.21 121.76 124.64 2jjx s ALA 160 Ca 0.14 0.71 0.07 0.00 0.00 0.00 0.00 51.96 52.89 2jjx s ALA 160 Cb -0.18 -3.66 -0.02 0.00 0.00 0.00 0.00 23.12 19.26 2jjx s ALA 160 CO -0.02 -1.21 0.40 0.15 0.00 0.00 0.00 175.76 175.08 2jjx s LYS 161 N 3.50 2.78 -0.06 0.00 -0.14 0.21 -4.59 119.74 121.43 2jjx s LYS 161 Ca 0.63 -1.29 0.02 0.00 -1.36 0.00 0.00 55.97 53.98 2jjx s LYS 161 Cb -0.28 -2.57 -0.03 0.00 -1.68 0.00 0.00 37.83 33.27 2jjx s LYS 161 CO 0.22 -0.05 -0.12 -0.65 -0.76 0.00 0.00 175.35 174.00 2jjx s GLN 162 N -4.13 2.65 0.00 1.68 -1.52 -1.26 -0.09 119.66 116.99 2jjx s GLN 162 Ca 0.46 -0.65 0.00 0.00 -1.95 0.00 0.00 55.36 53.22 2jjx s GLN 162 Cb -0.07 -2.46 0.00 0.00 -0.22 0.00 0.00 33.01 30.26 2jjx s GLN 162 CO 0.29 0.60 0.00 0.41 -0.25 0.00 0.00 175.29 176.34 2jjx n GLY 163 N 2.39 0.00 3.61 3.09 0.00 -1.26 -4.87 105.19 108.15 2jjx n GLY 163 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 2jjx n GLY 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jjx s VAL 164 N 0.00 5.12 -0.95 1.61 0.11 -1.26 -4.99 120.40 120.03 2jjx s VAL 164 Ca 0.00 0.72 0.16 0.00 -2.93 0.00 0.00 61.98 59.93 2jjx s VAL 164 Cb 0.00 -3.77 0.14 0.00 -1.53 0.00 0.00 36.38 31.22 2jjx s VAL 164 CO 0.00 0.11 1.51 0.47 -3.33 0.00 0.00 175.10 173.86 2jjx n ASP 165 N 5.45 0.06 0.00 3.54 9.92 -1.26 -3.65 116.55 130.62 2jjx n ASP 165 Ca -0.06 0.52 0.00 0.00 -0.53 0.00 0.00 54.79 54.71 2jjx n ASP 165 Cb 0.50 -0.53 0.00 0.00 -0.64 0.00 0.00 41.12 40.45 2jjx n ASP 165 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2jjx n GLY 166 N 0.08 -0.58 3.53 0.44 0.00 -1.26 -3.88 105.19 103.53 2jjx n GLY 166 Ca 0.04 -0.71 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 2jjx n GLY 166 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jjx s VAL 167 N -3.59 4.49 0.40 1.61 1.01 -1.26 -4.91 120.40 118.13 2jjx s VAL 167 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 61.98 61.93 2jjx s VAL 167 Cb 0.00 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 2jjx s VAL 167 CO 0.00 0.40 0.46 -0.36 0.00 0.00 0.00 175.10 175.60 2jjx s PHE 168 N 0.97 2.84 0.05 5.22 0.40 -1.26 -0.57 117.98 125.63 2jjx s PHE 168 Ca 0.04 -0.39 -0.26 0.00 -0.60 0.00 0.00 56.93 55.71 2jjx s PHE 168 Cb -0.14 -2.18 -0.17 0.00 0.51 0.00 0.00 43.02 41.04 2jjx s PHE 168 CO 0.03 -0.19 1.54 1.79 0.70 0.00 0.00 175.22 179.08 2jjx h THR 169 N 0.87 0.79 -3.49 0.64 1.35 -1.02 -3.44 112.91 108.61 2jjx h THR 169 Ca -0.42 -0.27 -0.25 0.00 -0.55 0.00 0.00 66.41 64.93 2jjx h THR 169 Cb 1.27 0.94 -0.31 0.00 -1.73 0.00 0.00 68.15 68.33 2jjx h THR 169 CO 0.52 0.06 -0.66 -0.94 -0.25 0.00 0.00 175.52 174.24 2jjx s SER 170 N -5.00 -0.03 -0.37 5.36 1.04 -1.26 -5.01 113.70 108.42 2jjx s SER 170 Ca -0.15 0.14 -0.40 0.00 0.48 0.00 0.00 55.95 56.02 2jjx s SER 170 Cb 0.04 0.08 -0.15 0.00 0.10 0.00 0.00 66.02 66.08 2jjx s SER 170 CO 0.62 -0.09 1.99 0.47 0.98 0.00 0.00 173.24 177.22 2jjx n ASP 171 N 3.69 1.81 0.00 7.02 8.00 -1.26 -4.59 116.55 131.23 2jjx n ASP 171 Ca -0.21 0.75 0.00 0.00 0.71 0.00 0.00 54.79 56.04 2jjx n ASP 171 Cb 0.55 -1.11 0.00 0.00 -0.02 0.00 0.00 41.12 40.54 2jjx n ASP 171 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2jjx n PRO 172 N 6.84 0.00 0.00 -0.24 -0.04 -1.26 -1.99 135.00 138.31 2jjx n PRO 172 Ca 0.39 0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.96 2jjx n PRO 172 Cb 0.11 -1.54 0.57 0.00 -0.04 0.00 0.00 33.50 32.60 2jjx n PRO 172 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2jjx n LYS 173 N -0.69 0.79 0.19 0.54 5.02 -1.26 -4.44 118.16 118.31 2jjx n LYS 173 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2jjx n LYS 173 Cb 0.04 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 2jjx n LYS 173 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2jjx n HIS 174 N -0.88 -4.31 0.00 2.13 8.25 -0.84 -5.03 115.22 114.54 2jjx n HIS 174 Ca 0.14 1.33 0.00 0.00 -0.26 0.00 0.00 57.72 58.94 2jjx n HIS 174 Cb 0.07 3.40 0.00 0.00 1.12 0.00 0.00 29.99 34.58 2jjx n HIS 174 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 2jjx n ASN 175 N -3.30 0.00 0.00 0.41 2.85 -1.21 -4.75 115.26 109.26 2jjx n ASN 175 Ca 0.00 -0.75 0.00 0.00 -0.11 0.00 0.00 54.58 53.72 2jjx n ASN 175 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2jjx n ASN 175 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2jjx n LYS 176 N 1.88 0.00 -1.98 1.20 5.02 -1.26 -0.14 118.16 122.89 2jjx n LYS 176 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 2jjx n LYS 176 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 2jjx n LYS 176 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2jjx n SER 177 N 0.00 8.04 -4.90 4.39 3.41 -1.26 -4.92 113.62 118.39 2jjx n SER 177 Ca 0.00 -3.14 -0.29 0.00 -0.26 0.00 0.00 58.87 55.18 2jjx n SER 177 Cb 0.00 -1.36 -0.03 0.00 -0.26 0.00 0.00 64.21 62.56 2jjx n SER 177 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jjx s ALA 178 N -1.14 3.53 0.14 7.33 0.00 0.81 -4.99 121.76 127.44 2jjx s ALA 178 Ca 0.54 -0.46 0.09 0.00 0.00 0.00 0.00 51.96 52.14 2jjx s ALA 178 Cb 0.19 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 2jjx s ALA 178 CO -0.10 0.14 -0.22 0.15 0.00 0.00 0.00 175.76 175.74 2jjx s LYS 179 N -3.69 1.29 -0.07 0.00 1.02 -1.26 -4.89 119.74 112.14 2jjx s LYS 179 Ca 0.46 -1.33 -0.11 0.00 0.02 0.00 0.00 55.97 55.01 2jjx s LYS 179 Cb -0.11 -1.55 -0.05 0.00 -0.52 0.00 0.00 37.83 35.60 2jjx s LYS 179 CO 0.31 0.35 0.27 1.41 -0.92 0.00 0.00 175.35 176.77 2jjx s MET 180 N -2.33 3.72 0.09 1.68 -2.45 -1.26 -0.33 119.30 118.42 2jjx s MET 180 Ca 0.13 0.13 -0.30 0.00 -1.25 0.00 0.00 55.69 54.40 2jjx s MET 180 Cb -0.08 -3.22 -0.05 0.00 1.25 0.00 0.00 34.83 32.72 2jjx s MET 180 CO 0.06 0.70 0.99 0.71 1.05 0.00 0.00 175.02 178.54 2jjx s TYR 181 N -0.95 3.73 0.04 4.11 2.02 0.26 -0.37 117.35 126.20 2jjx s TYR 181 Ca 0.19 1.73 -0.10 0.00 -0.37 0.00 0.00 57.07 58.52 2jjx s TYR 181 Cb -0.14 -3.11 -0.32 0.00 -0.40 0.00 0.00 41.96 37.99 2jjx s TYR 181 CO 0.08 -0.01 1.02 -0.09 -1.57 0.00 0.00 175.55 174.98 2jjx h ARG 182 N 5.86 0.40 -4.59 -0.62 9.65 -1.82 -3.38 114.38 119.88 2jjx h ARG 182 Ca -0.43 -0.68 -0.29 0.00 -1.10 0.00 0.00 59.98 57.48 2jjx h ARG 182 Cb 1.21 0.25 -0.22 0.00 -1.39 0.00 0.00 29.97 29.83 2jjx h ARG 182 CO 0.73 1.32 -0.74 0.15 2.80 0.00 0.00 179.97 184.23 2jjx s LYS 183 N -2.62 0.54 -0.07 0.20 1.02 -1.26 -2.19 119.74 115.36 2jjx s LYS 183 Ca -0.08 -0.70 -0.03 0.00 0.02 0.00 0.00 55.97 55.19 2jjx s LYS 183 Cb 0.06 -0.34 0.04 0.00 -0.52 0.00 0.00 37.83 37.06 2jjx s LYS 183 CO 0.91 0.07 0.14 -1.17 -0.92 0.00 0.00 175.35 174.37 2jjx s LEU 184 N -1.40 0.24 0.43 3.17 2.96 -0.79 -2.13 118.68 121.15 2jjx s LEU 184 Ca -0.08 0.28 -0.20 0.00 -0.22 0.00 0.00 54.13 53.91 2jjx s LEU 184 Cb -0.09 0.24 -0.11 0.00 0.50 0.00 0.00 46.19 46.73 2jjx s LEU 184 CO 0.00 -0.21 0.94 0.21 -1.32 0.00 0.00 176.35 175.97 2jjx s ASN 185 N 1.90 6.90 0.00 3.68 2.47 -1.25 -0.66 114.94 127.98 2jjx s ASN 185 Ca -0.01 1.65 0.00 0.00 0.42 0.00 0.00 52.86 54.92 2jjx s ASN 185 Cb -0.12 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.15 2jjx s ASN 185 CO -0.05 -0.37 0.52 -1.22 -3.72 0.00 0.00 177.10 172.26 2jjx n TYR 186 N -0.70 0.00 -0.31 0.43 4.01 -0.81 -1.53 117.16 118.26 2jjx n TYR 186 Ca 0.07 0.00 0.26 0.00 -0.16 0.00 0.00 57.90 58.07 2jjx n TYR 186 Cb 0.54 -0.02 0.44 0.00 -0.31 0.00 0.00 39.34 39.98 2jjx n TYR 186 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2jjx n ASN 187 N -0.57 0.13 -0.03 7.72 3.02 -1.26 0.34 115.26 124.61 2jjx n ASN 187 Ca 0.00 0.88 -0.09 0.00 -0.03 0.00 0.00 54.58 55.33 2jjx n ASN 187 Cb 0.00 -0.43 0.06 0.00 -0.61 0.00 0.00 39.78 38.80 2jjx n ASN 187 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2jjx h ASP 188 N 0.00 0.70 -0.62 6.41 5.19 -1.92 -0.32 116.42 125.86 2jjx h ASP 188 Ca 0.56 -0.34 -0.06 0.00 -0.62 0.00 0.00 57.03 56.57 2jjx h ASP 188 Cb 1.83 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 41.12 2jjx h ASP 188 CO -0.29 1.05 0.15 1.62 -3.12 0.00 0.00 179.24 178.65 2jjx h VAL 189 N 0.52 1.25 -0.01 -1.35 3.04 0.68 -1.88 116.25 118.50 2jjx h VAL 189 Ca 0.03 -0.93 -0.24 0.00 -1.01 0.00 0.00 66.70 64.55 2jjx h VAL 189 Cb 0.99 0.60 0.02 0.00 -2.01 0.00 0.00 31.29 30.89 2jjx h VAL 189 CO 0.09 0.35 -0.93 1.62 -1.01 0.00 0.00 177.57 177.69 2jjx h VAL 190 N 0.97 1.31 0.27 1.51 3.04 -1.40 0.32 116.25 122.27 2jjx h VAL 190 Ca 0.20 -2.19 -0.00 0.00 -1.01 0.00 0.00 66.70 63.70 2jjx h VAL 190 Cb 0.36 2.41 -0.02 0.00 -2.01 0.00 0.00 31.29 32.03 2jjx h VAL 190 CO 0.00 0.67 -0.38 0.03 -1.01 0.00 0.00 177.57 176.88 2jjx h ARG 191 N 0.29 -0.66 -1.00 4.17 3.08 -0.95 -1.31 114.38 118.00 2jjx h ARG 191 Ca -0.12 0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.88 2jjx h ARG 191 Cb 1.60 0.15 -0.06 0.00 0.08 0.00 0.00 29.97 31.74 2jjx h ARG 191 CO 0.18 -0.44 0.13 1.04 -1.07 0.00 0.00 179.97 179.81 2jjx n GLN 192 N -4.69 1.28 -2.60 0.04 6.02 -0.72 -4.89 117.38 111.82 2jjx n GLN 192 Ca -0.08 -0.61 -0.11 0.00 -0.01 0.00 0.00 57.00 56.19 2jjx n GLN 192 Cb 0.33 -1.26 0.01 0.00 1.02 0.00 0.00 30.24 30.34 2jjx n GLN 192 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2jjx n ASN 193 N 0.16 -1.86 -4.80 1.08 5.15 -0.49 -4.88 115.26 109.61 2jjx n ASN 193 Ca 0.12 -0.25 -0.38 0.00 -0.60 0.00 0.00 54.58 53.47 2jjx n ASN 193 Cb 0.72 -0.59 -0.06 0.00 -0.53 0.00 0.00 39.78 39.33 2jjx n ASN 193 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2jjx s ILE 194 N -1.69 5.11 -0.80 -1.44 1.01 0.11 -5.02 121.20 118.48 2jjx s ILE 194 Ca 0.05 0.80 -0.02 0.00 0.00 0.00 0.00 60.65 61.49 2jjx s ILE 194 Cb -0.01 -3.71 0.20 0.00 0.01 0.00 0.00 42.46 38.95 2jjx s ILE 194 CO 0.33 0.51 0.66 -1.10 0.00 0.00 0.00 174.94 175.34 2jjx s GLN 195 N -0.59 3.03 -0.01 2.79 -0.21 -1.26 -4.73 119.66 118.68 2jjx s GLN 195 Ca 0.23 -3.02 -0.01 0.00 0.02 0.00 0.00 55.36 52.57 2jjx s GLN 195 Cb -0.16 -3.88 -0.01 0.00 1.00 0.00 0.00 33.01 29.96 2jjx s GLN 195 CO 0.11 -1.24 -0.03 0.28 -2.12 0.00 0.00 175.29 172.29 2jjx n VAL 196 N 2.73 0.27 -3.96 1.09 0.31 -1.26 -5.08 118.33 112.43 2jjx n VAL 196 Ca 0.17 0.01 -0.09 0.00 -0.01 0.00 0.00 64.34 64.42 2jjx n VAL 196 Cb 0.37 -1.55 -0.10 0.00 -0.91 0.00 0.00 33.84 31.66 2jjx n VAL 196 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jjx s MET 197 N -2.05 0.56 0.16 5.55 0.23 -1.26 -5.13 119.30 117.34 2jjx s MET 197 Ca -0.04 -0.82 -0.16 0.00 -1.03 0.00 0.00 55.69 53.65 2jjx s MET 197 Cb 0.01 0.21 -0.10 0.00 -1.53 0.00 0.00 34.83 33.42 2jjx s MET 197 CO 0.04 -0.13 0.24 -0.25 -2.03 0.00 0.00 175.02 172.89 2jjx n ASP 198 N 0.76 -1.04 -0.12 -1.18 8.00 -1.26 -4.75 116.55 116.96 2jjx n ASP 198 Ca -0.19 0.62 -0.10 0.00 0.71 0.00 0.00 54.79 55.83 2jjx n ASP 198 Cb 0.58 -0.56 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 2jjx n ASP 198 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2jjx h GLN 199 N 0.48 0.59 -0.89 -1.24 4.20 -1.99 -1.44 115.11 114.82 2jjx h GLN 199 Ca -0.18 -0.17 0.07 0.00 0.06 0.00 0.00 58.65 58.43 2jjx h GLN 199 Cb 0.87 -0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.52 2jjx h GLN 199 CO 0.32 0.68 0.56 0.00 -0.67 0.00 0.00 178.83 179.72 2jjx h ALA 200 N 0.89 1.24 -0.22 3.87 0.00 -1.99 0.29 119.26 123.33 2jjx h ALA 200 Ca 0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2jjx h ALA 200 Cb 0.39 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2jjx h ALA 200 CO 0.01 0.29 -0.13 0.00 0.00 0.00 0.00 179.25 179.42 2jjx h ALA 201 N 1.43 0.31 0.02 0.00 0.00 -1.86 -2.49 119.26 116.67 2jjx h ALA 201 Ca 0.40 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 55.02 2jjx h ALA 201 Cb 0.21 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 2jjx h ALA 201 CO -0.19 0.19 -0.34 1.25 0.00 0.00 0.00 179.25 180.16 2jjx h LEU 202 N 0.18 -1.01 -0.37 0.00 7.12 -0.59 -0.57 115.31 120.06 2jjx h LEU 202 Ca 0.05 0.13 0.08 0.00 0.13 0.00 0.00 57.88 58.26 2jjx h LEU 202 Cb 0.65 0.40 -0.08 0.00 -0.53 0.00 0.00 40.66 41.09 2jjx h LEU 202 CO 0.04 -0.40 -0.17 -0.07 -0.13 0.00 0.00 178.44 177.71 2jjx h LEU 203 N -0.51 -0.57 0.19 2.25 4.07 -0.43 0.24 115.31 120.55 2jjx h LEU 203 Ca 0.05 0.14 0.01 0.00 0.08 0.00 0.00 57.88 58.16 2jjx h LEU 203 Cb 0.58 0.32 -0.02 0.00 1.08 0.00 0.00 40.66 42.62 2jjx h LEU 203 CO -0.26 -0.20 -0.22 0.25 -1.08 0.00 0.00 178.44 176.93 2jjx h LEU 204 N -0.10 -0.59 -0.37 1.67 6.46 -1.04 0.22 115.31 121.57 2jjx h LEU 204 Ca 0.19 0.06 0.07 0.00 -0.12 0.00 0.00 57.88 58.08 2jjx h LEU 204 Cb 0.38 0.21 -0.07 0.00 -0.73 0.00 0.00 40.66 40.45 2jjx h LEU 204 CO -0.44 -0.31 -0.09 0.00 -0.62 0.00 0.00 178.44 176.98 2jjx h ALA 205 N 0.29 0.24 -0.46 1.25 0.00 -0.80 -0.80 119.26 118.98 2jjx h ALA 205 Ca 0.01 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.09 2jjx h ALA 205 Cb 0.43 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2jjx h ALA 205 CO -0.07 -0.46 0.25 -0.09 0.00 0.00 0.00 179.25 178.88 2jjx h ARG 206 N -0.00 0.48 -0.36 0.00 1.12 -0.43 0.77 114.38 115.97 2jjx h ARG 206 Ca 0.18 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 58.99 2jjx h ARG 206 Cb 0.27 -0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 30.10 2jjx h ARG 206 CO -0.38 0.32 0.09 -0.44 -3.11 0.00 0.00 179.97 176.45 2jjx h ASP 207 N 0.49 0.47 -0.23 -3.80 3.32 -0.02 -2.46 116.42 114.19 2jjx h ASP 207 Ca 0.19 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2jjx h ASP 207 Cb 0.07 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2jjx h ASP 207 CO -0.12 0.48 0.00 -1.22 -1.72 0.00 0.00 179.24 176.66 2jjx n TYR 208 N -4.35 0.29 -2.49 4.55 4.01 -0.36 -4.98 117.16 113.83 2jjx n TYR 208 Ca 0.02 -0.18 -0.14 0.00 -0.16 0.00 0.00 57.90 57.44 2jjx n TYR 208 Cb 0.18 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.22 2jjx n TYR 208 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2jjx n ASN 209 N 1.16 -4.44 -4.68 7.72 3.02 0.24 -4.97 115.26 113.33 2jjx n ASN 209 Ca 0.15 -0.09 -0.41 0.00 -0.03 0.00 0.00 54.58 54.19 2jjx n ASN 209 Cb 0.51 -3.47 -0.04 0.00 -0.61 0.00 0.00 39.78 36.18 2jjx n ASN 209 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2jjx s LEU 210 N -4.29 4.20 0.39 3.41 0.20 0.26 -5.00 118.68 117.86 2jjx s LEU 210 Ca 0.09 1.19 -0.16 0.00 0.69 0.00 0.00 54.13 55.94 2jjx s LEU 210 Cb -0.04 -3.22 -0.09 0.00 -0.43 0.00 0.00 46.19 42.40 2jjx s LEU 210 CO 0.11 -0.36 0.84 -2.16 -0.29 0.00 0.00 176.35 174.50 2jjx s PRO 211 N 1.93 4.03 0.03 0.98 0.04 -1.26 -4.51 135.00 136.23 2jjx s PRO 211 Ca 0.39 0.81 0.06 0.00 0.04 0.00 0.00 61.00 62.30 2jjx s PRO 211 Cb -0.17 -2.31 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 2jjx s PRO 211 CO 0.14 0.01 -0.18 0.00 0.04 0.00 0.00 177.00 177.01 2jjx s ALA 212 N -2.19 1.53 -0.13 8.56 0.00 -0.92 -1.10 121.76 127.50 2jjx s ALA 212 Ca 0.57 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 51.61 2jjx s ALA 212 Cb -0.10 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.74 2jjx s ALA 212 CO 0.20 0.33 -0.20 -1.01 0.00 0.00 0.00 175.76 175.09 2jjx s HIS 213 N -0.76 2.45 -0.17 0.00 3.76 -0.50 0.68 115.29 120.75 2jjx s HIS 213 Ca 0.06 -1.21 -0.03 0.00 -0.15 0.00 0.00 55.06 53.73 2jjx s HIS 213 Cb -0.08 -1.69 -0.02 0.00 1.11 0.00 0.00 32.58 31.90 2jjx s HIS 213 CO 0.01 -0.57 -0.07 0.08 -0.85 0.00 0.00 174.74 173.35 2jjx s VAL 214 N 0.86 3.43 0.34 -0.90 1.01 -0.18 -0.11 120.40 124.85 2jjx s VAL 214 Ca -0.07 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 2jjx s VAL 214 Cb -0.15 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.75 2jjx s VAL 214 CO -0.02 0.48 0.64 0.72 0.00 0.00 0.00 175.10 176.93 2jjx s PHE 215 N 0.75 0.39 -0.52 5.22 -0.71 -1.20 -0.20 117.98 121.70 2jjx s PHE 215 Ca -0.03 -0.86 -0.22 0.00 -1.04 0.00 0.00 56.93 54.78 2jjx s PHE 215 Cb -0.15 0.46 0.05 0.00 -1.21 0.00 0.00 43.02 42.17 2jjx s PHE 215 CO 0.02 -1.32 0.79 1.21 -1.34 0.00 0.00 175.22 174.58 2jjx s ASN 216 N -3.09 6.29 0.30 1.98 3.84 -1.24 -0.62 114.94 122.40 2jjx s ASN 216 Ca 0.20 -0.57 0.13 0.00 0.21 0.00 0.00 52.86 52.83 2jjx s ASN 216 Cb -0.03 -2.37 0.42 0.00 -0.55 0.00 0.00 41.25 38.72 2jjx s ASN 216 CO 0.13 -1.06 1.63 0.15 -2.79 0.00 0.00 177.10 175.17 2jjx h PHE 217 N 9.15 0.00 0.00 0.43 3.57 -0.83 -2.85 116.94 126.42 2jjx h PHE 217 Ca -0.27 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.23 2jjx h PHE 217 Cb 1.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.82 2jjx h PHE 217 CO 0.83 0.56 0.00 -0.25 -2.23 0.00 0.00 178.31 177.23 2jjx n ASP 218 N -3.71 0.00 -4.32 0.41 8.00 -1.25 -4.51 116.55 111.16 2jjx n ASP 218 Ca -0.01 -0.07 -0.38 0.00 0.71 0.00 0.00 54.79 55.05 2jjx n ASP 218 Cb 0.60 -0.16 -0.12 0.00 -0.02 0.00 0.00 41.12 41.42 2jjx n ASP 218 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2jjx s GLU 219 N -2.32 2.93 0.43 -1.24 0.41 -1.08 -5.04 118.70 112.80 2jjx s GLU 219 Ca 0.12 -0.97 -0.24 0.00 -0.41 0.00 0.00 54.97 53.47 2jjx s GLU 219 Cb 0.07 -3.42 -0.10 0.00 -1.78 0.00 0.00 34.13 28.90 2jjx s GLU 219 CO 0.14 -0.53 1.09 -2.30 -0.49 0.00 0.00 175.26 173.17 2jjx n PRO 220 N 4.86 1.49 0.00 0.39 -0.01 -1.26 -2.93 135.00 137.54 2jjx n PRO 220 Ca -0.14 0.53 0.00 0.00 -0.01 0.00 0.00 63.50 63.89 2jjx n PRO 220 Cb 0.47 -2.15 0.00 0.00 -0.01 0.00 0.00 33.50 31.81 2jjx n PRO 220 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 2jjx n GLY 221 N 1.08 1.99 0.46 -1.23 0.00 -1.26 -4.88 105.19 101.35 2jjx n GLY 221 Ca 0.09 -0.37 0.27 0.00 0.00 0.00 0.00 46.02 46.00 2jjx n GLY 221 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2jjx h VAL 222 N 0.00 0.34 0.00 1.61 3.04 -1.85 0.31 116.25 119.70 2jjx h VAL 222 Ca 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.59 2jjx h VAL 222 Cb 0.00 0.46 -0.01 0.00 -2.01 0.00 0.00 31.29 29.73 2jjx h VAL 222 CO 0.00 0.00 -0.49 -0.03 -1.01 0.00 0.00 177.57 176.04 2jjx h MET 223 N 0.00 0.00 0.14 4.17 -1.53 -1.89 -2.50 114.93 113.32 2jjx h MET 223 Ca 0.37 0.00 -0.23 0.00 -3.44 0.00 0.00 59.70 56.40 2jjx h MET 223 Cb 1.79 0.00 0.03 0.00 -0.55 0.00 0.00 31.60 32.86 2jjx h MET 223 CO -0.00 0.49 -0.99 -0.09 0.14 0.00 0.00 176.91 176.46 2jjx h ARG 224 N 0.00 0.43 -0.89 0.39 2.43 -1.28 -2.58 114.38 112.88 2jjx h ARG 224 Ca -0.00 -0.65 0.02 0.00 -0.81 0.00 0.00 59.98 58.54 2jjx h ARG 224 Cb 1.15 0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 30.88 2jjx h ARG 224 CO 0.06 1.29 0.59 0.00 -1.51 0.00 0.00 179.97 180.40 2jjx h ARG 225 N -0.10 1.13 0.19 0.20 3.08 -1.47 0.51 114.38 117.92 2jjx h ARG 225 Ca -0.16 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 2jjx h ARG 225 Cb 1.74 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 31.54 2jjx h ARG 225 CO 0.19 0.75 -0.09 0.82 -1.07 0.00 0.00 179.97 180.57 2jjx h ILE 226 N 1.17 0.86 -0.23 2.04 2.04 -1.46 0.50 117.51 122.42 2jjx h ILE 226 Ca 0.34 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.96 2jjx h ILE 226 Cb -0.07 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2jjx h ILE 226 CO -0.09 0.05 -0.02 0.00 0.00 0.00 0.00 178.15 178.09 2jjx n LEU 228 N -4.33 0.00 0.00 0.00 4.77 0.17 -3.68 117.00 113.94 2jjx n LEU 228 Ca 0.00 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2jjx n LEU 228 Cb 0.22 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2jjx n LEU 228 CO 0.37 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2jjx n GLY 229 N 0.39 0.30 3.74 -0.72 0.00 -0.65 -4.89 105.19 103.37 2jjx n GLY 229 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2jjx n GLY 229 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jjx s GLU 230 N -0.96 2.53 -0.92 1.61 2.02 0.17 -4.71 118.70 118.44 2jjx s GLU 230 Ca 0.00 1.64 -0.09 0.00 0.02 0.00 0.00 54.97 56.54 2jjx s GLU 230 Cb 0.00 -1.89 0.23 0.00 0.10 0.00 0.00 34.13 32.57 2jjx s GLU 230 CO 0.00 -1.51 0.86 -1.01 0.02 0.00 0.00 175.26 173.62 2jjx s HIS 231 N -2.03 3.93 0.06 1.61 3.76 -1.26 -4.40 115.29 116.97 2jjx s HIS 231 Ca 0.72 -2.51 0.08 0.00 -0.15 0.00 0.00 55.06 53.21 2jjx s HIS 231 Cb -0.26 -3.66 -0.03 0.00 1.11 0.00 0.00 32.58 29.74 2jjx s HIS 231 CO 0.41 -0.92 -0.22 0.54 -0.85 0.00 0.00 174.74 173.70 2jjx s VAL 232 N -0.64 1.81 0.00 -0.90 0.11 -1.26 -5.06 120.40 114.46 2jjx s VAL 232 Ca 0.24 -1.35 0.00 0.00 -2.93 0.00 0.00 61.98 57.94 2jjx s VAL 232 Cb -0.11 -1.58 0.00 0.00 -1.53 0.00 0.00 36.38 33.16 2jjx s VAL 232 CO -0.09 0.17 0.00 0.61 -3.33 0.00 0.00 175.10 172.46 2jjx n GLY 233 N 1.60 -0.79 3.66 6.54 0.00 -1.25 -4.82 105.19 110.12 2jjx n GLY 233 Ca -0.18 -1.14 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 2jjx n GLY 233 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jjx s THR 234 N 0.00 4.31 -0.26 2.61 2.01 0.72 -4.76 115.64 120.27 2jjx s THR 234 Ca 0.00 -0.24 -0.06 0.00 0.31 0.00 0.00 61.69 61.70 2jjx s THR 234 Cb 0.00 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.67 2jjx s THR 234 CO 0.00 0.58 0.04 -0.22 -0.69 0.00 0.00 174.62 174.33 2jjx s LEU 235 N -0.64 3.44 -0.36 4.42 0.20 -0.93 -1.01 118.68 123.81 2jjx s LEU 235 Ca 0.10 -0.46 -0.17 0.00 0.69 0.00 0.00 54.13 54.30 2jjx s LEU 235 Cb -0.12 -1.85 -0.00 0.00 -0.43 0.00 0.00 46.19 43.79 2jjx s LEU 235 CO 0.02 -0.09 0.44 -0.63 -0.29 0.00 0.00 176.35 175.80 2jjx s ILE 236 N 1.53 5.09 0.35 6.68 1.01 0.21 -1.89 121.20 134.18 2jjx s ILE 236 Ca 0.05 0.11 0.05 0.00 0.00 0.00 0.00 60.65 60.86 2jjx s ILE 236 Cb -0.16 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.38 2jjx s ILE 236 CO 0.01 -0.20 0.18 -3.20 0.00 0.00 0.00 174.94 171.73 2jjx n ASN 237 N 5.58 0.51 -0.99 3.58 2.85 0.17 -2.18 115.26 124.78 2jjx n ASN 237 Ca -0.07 -2.99 0.08 0.00 -0.11 0.00 0.00 54.58 51.49 2jjx n ASN 237 Cb 0.49 1.16 0.25 0.00 1.24 0.00 0.00 39.78 42.92 2jjx n ASN 237 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2jjx n ASP 238 N -1.66 3.79 -3.46 1.20 -0.08 -1.26 -1.92 116.55 113.15 2jjx n ASP 238 Ca -0.01 -2.50 0.00 0.00 -1.51 0.00 0.00 54.79 50.78 2jjx n ASP 238 Cb 0.56 -0.44 0.00 0.00 2.34 0.00 0.00 41.12 43.58 2jjx n ASP 238 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2jjx n ASP 239 N 0.30 0.00 -4.11 1.67 9.92 -1.26 -4.98 116.55 118.09 2jjx n ASP 239 Ca 0.19 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 54.18 2jjx n ASP 239 Cb 0.72 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 41.04 2jjx n ASP 239 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jjx s ALA 240 N -3.08 1.62 0.05 2.24 0.00 -1.26 -4.70 121.76 116.63 2jjx s ALA 240 Ca 0.00 -0.65 -0.37 0.00 0.00 0.00 0.00 51.96 50.94 2jjx s ALA 240 Cb 0.00 -0.64 -0.19 0.00 0.00 0.00 0.00 23.12 22.29 2jjx s ALA 240 CO 0.00 0.20 1.00 0.43 0.00 0.00 0.00 175.76 177.39 2jjx n SER 241 N 3.60 -0.04 0.00 0.00 7.64 -1.26 -4.85 113.62 118.71 2jjx n SER 241 Ca -0.21 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.82 2jjx n SER 241 Cb 0.52 -0.96 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 2jjx n SER 241 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2jjx n LEU 242 N 1.69 0.00 0.00 -3.43 7.94 -0.91 -4.94 117.00 117.35 2jjx n LEU 242 Ca 0.19 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 2jjx n LEU 242 Cb 0.13 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.08 2jjx n LEU 242 CO 0.60 0.00 0.00 -0.11 -1.11 0.00 0.00 177.39 176.77 2jjx n LEU 243 N 0.00 0.00 -4.28 -1.96 7.94 -1.26 -4.25 117.00 113.19 2jjx n LEU 243 Ca 0.00 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.57 2jjx n LEU 243 Cb 0.00 0.00 0.13 0.00 0.53 0.00 0.00 43.42 44.08 2jjx n LEU 243 CO 0.00 0.00 -0.59 0.52 -1.11 0.00 0.00 177.39 176.21 2jjx n VAL 244 N 0.00 0.00 -0.99 1.96 0.31 0.50 -4.63 118.33 115.48 2jjx n VAL 244 Ca 0.00 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 2jjx n VAL 244 Cb 0.00 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 2jjx n VAL 244 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51