#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j9l s ARG 2 N 0.00 3.58 -0.10 3.17 0.52 -1.26 -1.98 118.95 122.87 1j9l s ARG 2 Ca 0.00 0.14 -0.00 0.00 -0.52 0.00 0.00 55.73 55.35 1j9l s ARG 2 Cb 0.00 -3.89 -0.03 0.00 0.52 0.00 0.00 34.95 31.56 1j9l s ARG 2 CO 0.00 -1.05 -0.08 0.42 0.02 0.00 0.00 175.30 174.61 1j9l s ILE 3 N 3.37 3.56 -0.23 1.52 1.01 -0.50 -0.67 121.20 129.27 1j9l s ILE 3 Ca 0.33 -0.51 -0.09 0.00 0.00 0.00 0.00 60.65 60.38 1j9l s ILE 3 Cb -0.12 -2.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 1j9l s ILE 3 CO 0.22 0.55 0.12 -0.22 0.00 0.00 0.00 174.94 175.61 1j9l s LEU 4 N -0.24 3.92 -0.10 2.97 2.96 0.33 -1.28 118.68 127.24 1j9l s LEU 4 Ca 0.03 0.04 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 1j9l s LEU 4 Cb -0.13 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 1j9l s LEU 4 CO 0.03 0.07 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.30 1j9l s VAL 5 N 1.00 3.06 0.34 1.68 1.01 0.29 -0.43 120.40 127.35 1j9l s VAL 5 Ca 0.06 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1j9l s VAL 5 Cb -0.14 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1j9l s VAL 5 CO 0.04 0.55 0.45 1.07 0.00 0.00 0.00 175.10 177.21 1j9l n THR 6 N 3.02 0.00 -3.51 3.92 5.66 -0.21 -2.08 114.28 121.07 1j9l n THR 6 Ca -0.18 -1.81 -0.00 0.00 -3.05 0.00 0.00 64.05 59.01 1j9l n THR 6 Cb 0.52 1.08 0.00 0.00 -1.55 0.00 0.00 70.33 70.39 1j9l n THR 6 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1j9l n ASN 7 N -1.65 -0.30 0.00 1.09 6.94 -1.26 -0.11 115.26 119.96 1j9l n ASN 7 Ca 0.02 -1.15 0.00 0.00 -0.02 0.00 0.00 54.58 53.42 1j9l n ASN 7 Cb 0.57 0.48 0.00 0.00 -2.36 0.00 0.00 39.78 38.47 1j9l n ASN 7 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1j9l n ASP 8 N -0.69 0.56 0.06 0.53 3.85 -1.26 -4.45 116.55 115.14 1j9l n ASP 8 Ca -0.00 -0.82 0.01 0.00 -0.71 0.00 0.00 54.79 53.26 1j9l n ASP 8 Cb 0.10 0.23 -0.06 0.00 -1.35 0.00 0.00 41.12 40.04 1j9l n ASP 8 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1j9l h ASP 9 N 0.00 0.00 -4.03 -1.12 3.32 -1.89 0.36 116.42 113.05 1j9l h ASP 9 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1j9l h ASP 9 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1j9l h ASP 9 CO 0.00 0.53 0.00 0.61 -1.72 0.00 0.00 179.24 178.66 1j9l n GLY 10 N 1.35 4.02 0.19 2.75 0.00 -1.26 -4.10 105.19 108.14 1j9l n GLY 10 Ca -0.07 -1.48 0.12 0.00 0.00 0.00 0.00 46.02 44.60 1j9l n GLY 10 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1j9l h ILE 11 N 2.02 0.00 -0.64 -0.61 2.10 -1.69 -0.80 117.51 117.89 1j9l h ILE 11 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1j9l h ILE 11 Cb 0.00 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 36.27 1j9l h ILE 11 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 1j9l n GLN 12 N -2.36 3.96 -2.82 2.19 6.02 -1.26 -4.80 117.38 118.30 1j9l n GLN 12 Ca -0.02 -2.93 -0.39 0.00 -0.01 0.00 0.00 57.00 53.65 1j9l n GLN 12 Cb 0.06 -1.97 -0.06 0.00 1.02 0.00 0.00 30.24 29.29 1j9l n GLN 12 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1j9l s SER 13 N -0.87 7.49 0.42 1.08 0.15 -0.31 -4.96 113.70 116.71 1j9l s SER 13 Ca 0.52 1.83 0.11 0.00 0.70 0.00 0.00 55.95 59.11 1j9l s SER 13 Cb 0.35 -2.57 0.92 0.00 -1.71 0.00 0.00 66.02 63.01 1j9l s SER 13 CO 0.23 0.10 2.00 0.50 1.20 0.00 0.00 173.24 177.27 1j9l h LYS 14 N 3.88 0.22 -0.61 5.44 3.64 -1.93 -2.20 116.57 125.01 1j9l h LYS 14 Ca -0.46 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 58.81 1j9l h LYS 14 Cb 1.20 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 1j9l h LYS 14 CO 0.67 0.28 0.08 0.78 -2.27 0.00 0.00 179.45 178.99 1j9l h GLY 15 N 0.53 1.08 1.80 5.01 0.00 -1.93 -2.27 103.07 107.30 1j9l h GLY 15 Ca 0.05 -0.71 -0.23 0.00 0.00 0.00 0.00 47.33 46.44 1j9l h GLY 15 CO 0.01 0.66 -1.14 1.19 0.00 0.00 0.00 176.54 177.26 1j9l h ILE 16 N 0.94 1.57 0.28 2.60 2.10 -1.61 -2.39 117.51 120.99 1j9l h ILE 16 Ca 0.19 -3.27 -0.01 0.00 1.08 0.00 0.00 64.86 62.84 1j9l h ILE 16 Cb 0.43 2.81 0.00 0.00 -1.09 0.00 0.00 36.82 38.97 1j9l h ILE 16 CO 0.01 0.91 -0.13 0.40 -1.08 0.00 0.00 178.15 178.26 1j9l h ILE 17 N 0.01 0.77 -0.80 2.19 2.04 -1.31 -1.03 117.51 119.39 1j9l h ILE 17 Ca -0.07 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.46 1j9l h ILE 17 Cb 1.84 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 38.84 1j9l h ILE 17 CO 0.14 0.08 0.49 0.58 0.00 0.00 0.00 178.15 179.44 1j9l h VAL 18 N -0.58 1.04 -0.09 1.67 2.07 -1.54 -1.32 116.25 117.49 1j9l h VAL 18 Ca -0.04 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1j9l h VAL 18 Cb 0.42 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1j9l h VAL 18 CO 0.06 0.16 0.04 0.25 0.02 0.00 0.00 177.57 178.10 1j9l h LEU 19 N 0.90 0.13 -0.15 2.57 5.85 -1.49 -2.11 115.31 121.00 1j9l h LEU 19 Ca 0.34 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1j9l h LEU 19 Cb 0.15 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1j9l h LEU 19 CO -0.16 0.25 0.09 0.00 -0.34 0.00 0.00 178.44 178.28 1j9l h ALA 20 N 0.88 0.19 -0.01 1.25 0.00 -0.88 -1.78 119.26 118.91 1j9l h ALA 20 Ca 0.03 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1j9l h ALA 20 Cb 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1j9l h ALA 20 CO -0.00 -0.30 -0.04 0.93 0.00 0.00 0.00 179.25 179.84 1j9l h GLU 21 N 0.17 -0.06 -0.81 0.00 5.08 -1.26 0.21 114.58 117.92 1j9l h GLU 21 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1j9l h GLU 21 Cb 0.03 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1j9l h GLU 21 CO -0.01 -0.04 0.47 -0.07 -1.00 0.00 0.00 179.01 178.36 1j9l h LEU 22 N -0.06 0.99 -0.90 1.33 4.07 -1.33 -2.60 115.31 116.81 1j9l h LEU 22 Ca 0.02 -0.08 -0.11 0.00 0.08 0.00 0.00 57.88 57.79 1j9l h LEU 22 Cb 0.08 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.56 1j9l h LEU 22 CO -0.05 0.78 -0.53 -0.07 -1.08 0.00 0.00 178.44 177.49 1j9l h LEU 23 N 1.11 0.00 0.00 1.67 3.38 -1.13 -2.97 115.31 117.37 1j9l h LEU 23 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1j9l h LEU 23 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1j9l h LEU 23 CO -0.05 0.53 0.00 -1.54 0.09 0.00 0.00 178.44 177.47 1j9l n SER 24 N -3.82 0.00 0.24 -0.43 3.41 0.05 -1.59 113.62 111.47 1j9l n SER 24 Ca -0.01 0.27 0.13 0.00 -0.26 0.00 0.00 58.87 59.00 1j9l n SER 24 Cb 0.56 -0.38 0.46 0.00 -0.26 0.00 0.00 64.21 64.59 1j9l n SER 24 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1j9l h GLU 25 N 0.00 0.00 0.00 4.33 5.08 -1.54 -3.35 114.58 119.10 1j9l h GLU 25 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1j9l h GLU 25 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1j9l h GLU 25 CO 0.00 0.11 0.00 0.39 -1.00 0.00 0.00 179.01 178.51 1j9l n GLU 26 N -3.20 0.16 -4.17 2.33 1.02 -1.05 -5.11 120.64 110.61 1j9l n GLU 26 Ca 0.01 -0.04 -0.11 0.00 -0.02 0.00 0.00 57.16 57.00 1j9l n GLU 26 Cb 0.42 -0.41 -0.10 0.00 -0.02 0.00 0.00 31.44 31.33 1j9l n GLU 26 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1j9l s HIS 27 N -0.03 0.91 -0.53 -0.32 3.76 -0.62 -4.38 115.29 114.07 1j9l s HIS 27 Ca 0.00 -0.95 -0.24 0.00 -0.15 0.00 0.00 55.06 53.72 1j9l s HIS 27 Cb 0.00 -0.53 0.04 0.00 1.11 0.00 0.00 32.58 33.20 1j9l s HIS 27 CO 0.00 -0.18 0.91 -2.00 -0.85 0.00 0.00 174.74 172.61 1j9l s GLU 28 N -3.86 3.34 -0.15 1.40 2.12 -0.84 -4.27 118.70 116.44 1j9l s GLU 28 Ca 0.14 -0.26 -0.07 0.00 0.36 0.00 0.00 54.97 55.14 1j9l s GLU 28 Cb 0.06 -4.04 -0.04 0.00 0.26 0.00 0.00 34.13 30.37 1j9l s GLU 28 CO -0.04 -1.41 0.10 0.08 -0.54 0.00 0.00 175.26 173.45 1j9l s VAL 29 N 3.79 5.14 -0.06 3.70 1.01 -1.26 -1.41 120.40 131.31 1j9l s VAL 29 Ca 0.30 0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.42 1j9l s VAL 29 Cb -0.13 -3.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1j9l s VAL 29 CO 0.20 0.53 -0.24 -0.36 0.00 0.00 0.00 175.10 175.22 1j9l s PHE 30 N -0.28 2.40 -0.18 5.22 0.40 -0.40 -2.66 117.98 122.49 1j9l s PHE 30 Ca 0.10 -0.75 -0.00 0.00 -0.60 0.00 0.00 56.93 55.67 1j9l s PHE 30 Cb -0.12 -1.58 0.01 0.00 0.51 0.00 0.00 43.02 41.84 1j9l s PHE 30 CO 0.01 -0.24 -0.16 0.08 0.70 0.00 0.00 175.22 175.61 1j9l s VAL 31 N -0.08 2.48 -0.24 -0.44 1.01 0.10 -0.55 120.40 122.69 1j9l s VAL 31 Ca -0.06 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 1j9l s VAL 31 Cb -0.14 -2.06 0.07 0.00 0.00 0.00 0.00 36.38 34.25 1j9l s VAL 31 CO 0.04 0.51 0.05 -0.69 0.00 0.00 0.00 175.10 175.01 1j9l s VAL 32 N 1.16 0.70 0.20 2.92 1.01 -0.88 0.35 120.40 125.85 1j9l s VAL 32 Ca 0.01 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1j9l s VAL 32 Cb -0.14 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1j9l s VAL 32 CO -0.07 -0.36 0.05 0.00 0.00 0.00 0.00 175.10 174.72 1j9l s ALA 33 N 1.75 1.44 0.55 5.51 0.00 -0.67 -4.42 121.76 125.93 1j9l s ALA 33 Ca 0.02 -1.69 -0.21 0.00 0.00 0.00 0.00 51.96 50.08 1j9l s ALA 33 Cb -0.17 0.79 -0.05 0.00 0.00 0.00 0.00 23.12 23.69 1j9l s ALA 33 CO -0.14 -0.39 1.29 -2.14 0.00 0.00 0.00 175.76 174.37 1j9l s PRO 34 N -3.98 3.13 -0.04 0.00 0.02 -1.26 -0.94 135.00 131.93 1j9l s PRO 34 Ca 0.30 2.06 0.08 0.00 0.02 0.00 0.00 61.00 63.46 1j9l s PRO 34 Cb 0.07 -2.16 0.31 0.00 0.02 0.00 0.00 34.50 32.73 1j9l s PRO 34 CO 0.08 -1.14 1.16 -0.40 -0.33 0.00 0.00 177.00 176.37 1j9l n ASP 35 N -1.16 2.20 -3.29 2.53 3.85 -0.13 -2.11 116.55 118.44 1j9l n ASP 35 Ca 0.11 -2.15 -0.04 0.00 -0.71 0.00 0.00 54.79 52.00 1j9l n ASP 35 Cb 0.47 -0.35 0.02 0.00 -1.35 0.00 0.00 41.12 39.91 1j9l n ASP 35 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 1j9l s LYS 36 N -1.64 1.47 0.19 0.11 -2.85 -1.26 -4.96 119.74 110.81 1j9l s LYS 36 Ca 0.22 -0.95 -0.32 0.00 -1.00 0.00 0.00 55.97 53.92 1j9l s LYS 36 Cb 0.14 0.41 -0.12 0.00 -2.06 0.00 0.00 37.83 36.19 1j9l s LYS 36 CO 0.12 -0.69 1.70 -1.91 0.10 0.00 0.00 175.35 174.66 1j9l n GLU 37 N -0.67 2.63 -0.52 1.78 4.07 -1.26 -4.20 120.64 122.48 1j9l n GLU 37 Ca -0.04 0.95 0.02 0.00 -0.06 0.00 0.00 57.16 58.04 1j9l n GLU 37 Cb 0.59 -2.78 0.03 0.00 -0.06 0.00 0.00 31.44 29.23 1j9l n GLU 37 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1j9l n ARG 38 N 3.91 0.28 -2.40 5.31 5.12 0.12 -5.02 116.66 123.98 1j9l n ARG 38 Ca 0.16 -1.45 -0.40 0.00 -1.93 0.00 0.00 57.85 54.24 1j9l n ARG 38 Cb 0.33 -0.67 -0.04 0.00 -1.16 0.00 0.00 32.46 30.93 1j9l n ARG 38 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1j9l s SER 39 N -1.50 7.13 -0.43 0.55 0.01 -1.17 -2.59 113.70 115.69 1j9l s SER 39 Ca 0.10 2.34 0.00 0.00 1.31 0.00 0.00 55.95 59.70 1j9l s SER 39 Cb 0.10 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1j9l s SER 39 CO -0.01 -0.25 0.00 0.00 0.41 0.00 0.00 173.24 173.39 1j9l n ALA 40 N 1.02 -0.06 1.20 1.44 0.00 -1.21 -4.90 120.51 117.99 1j9l n ALA 40 Ca -0.00 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.63 1j9l n ALA 40 Cb 0.44 -0.78 0.46 0.00 0.00 0.00 0.00 19.45 19.58 1j9l n ALA 40 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1j9l n THR 41 N -2.82 0.00 -4.18 0.00 -2.24 -1.07 -4.89 114.28 99.08 1j9l n THR 41 Ca -0.04 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1j9l n THR 41 Cb 0.16 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1j9l n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j9l n GLY 42 N 1.39 1.27 2.27 3.38 0.00 0.17 -2.96 105.19 110.72 1j9l n GLY 42 Ca 0.10 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 1j9l n GLY 42 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1j9l n HIS 43 N 2.17 2.90 -2.27 1.61 -0.00 -1.26 -4.32 115.22 114.05 1j9l n HIS 43 Ca 0.00 -2.80 -0.34 0.00 0.46 0.00 0.00 57.72 55.04 1j9l n HIS 43 Cb 0.00 -1.36 -0.01 0.00 -0.12 0.00 0.00 29.99 28.51 1j9l n HIS 43 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 1j9l s SER 44 N -1.41 5.92 0.05 0.26 1.04 -1.15 -4.99 113.70 113.42 1j9l s SER 44 Ca 0.58 1.97 0.00 0.00 0.48 0.00 0.00 55.95 58.99 1j9l s SER 44 Cb 0.46 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.98 1j9l s SER 44 CO -0.03 -1.08 -0.04 0.27 0.98 0.00 0.00 173.24 173.34 1j9l s ILE 45 N -2.08 0.33 -0.39 -1.02 -4.36 -1.26 -4.43 121.20 107.99 1j9l s ILE 45 Ca 0.68 -1.57 -0.15 0.00 -0.26 0.00 0.00 60.65 59.35 1j9l s ILE 45 Cb -0.19 -1.19 0.01 0.00 1.25 0.00 0.00 42.46 42.34 1j9l s ILE 45 CO 0.28 -0.80 0.33 -0.89 0.24 0.00 0.00 174.94 174.10 1j9l s THR 46 N -3.07 5.21 0.00 8.37 2.01 -1.26 -4.86 115.64 122.04 1j9l s THR 46 Ca 0.01 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.60 1j9l s THR 46 Cb 0.02 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.62 1j9l s THR 46 CO -0.06 -0.25 0.00 2.30 -0.69 0.00 0.00 174.62 175.92 1j9l n ILE 47 N 5.22 0.00 0.16 1.82 -5.35 -1.26 -4.78 119.36 115.18 1j9l n ILE 47 Ca -0.10 -0.01 0.07 0.00 -0.27 0.00 0.00 62.75 62.45 1j9l n ILE 47 Cb 0.48 0.42 0.07 0.00 -1.74 0.00 0.00 39.64 38.87 1j9l n ILE 47 CO 0.00 0.00 0.00 0.45 -1.76 0.00 0.00 176.55 175.24 1j9l h HIS 48 N 0.00 0.00 -4.15 4.28 3.86 -2.08 -3.47 115.15 113.59 1j9l h HIS 48 Ca 0.00 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.00 1j9l h HIS 48 Cb 0.00 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.32 1j9l h HIS 48 CO 0.00 0.23 -0.66 0.14 0.86 0.00 0.00 177.93 178.50 1j9l s VAL 49 N -3.12 0.34 0.83 2.45 -7.23 -1.26 -5.15 120.40 107.25 1j9l s VAL 49 Ca 0.04 -1.92 -0.11 0.00 -1.81 0.00 0.00 61.98 58.18 1j9l s VAL 49 Cb 0.07 -1.99 0.09 0.00 0.56 0.00 0.00 36.38 35.11 1j9l s VAL 49 CO 0.72 -0.55 1.14 -2.84 -0.31 0.00 0.00 175.10 173.26 1j9l s PRO 50 N -3.98 1.66 0.06 4.82 0.02 -1.26 -4.97 135.00 131.35 1j9l s PRO 50 Ca 0.21 1.46 0.06 0.00 0.02 0.00 0.00 61.00 62.75 1j9l s PRO 50 Cb 0.07 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.75 1j9l s PRO 50 CO 0.01 -2.14 -0.10 -0.51 -0.33 0.00 0.00 177.00 173.94 1j9l s LEU 51 N -6.07 3.04 0.12 -5.54 1.43 -1.26 -5.03 118.68 105.37 1j9l s LEU 51 Ca 0.66 -0.30 0.06 0.00 -1.03 0.00 0.00 54.13 53.53 1j9l s LEU 51 Cb -0.22 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1j9l s LEU 51 CO 0.54 0.22 -0.15 0.26 0.23 0.00 0.00 176.35 177.46 1j9l s TRP 52 N -1.10 1.48 0.09 0.29 0.52 -1.26 -5.01 118.94 113.95 1j9l s TRP 52 Ca 0.19 -0.53 0.04 0.00 0.02 0.00 0.00 56.10 55.82 1j9l s TRP 52 Cb -0.11 -0.77 -0.03 0.00 -1.15 0.00 0.00 33.47 31.40 1j9l s TRP 52 CO 0.11 0.17 -0.10 -1.64 0.02 0.00 0.00 176.95 175.51 1j9l s MET 53 N -2.57 0.81 -0.03 4.98 -1.94 -1.26 -1.77 119.30 117.52 1j9l s MET 53 Ca 0.09 -1.11 0.00 0.00 -1.71 0.00 0.00 55.69 52.97 1j9l s MET 53 Cb -0.06 -0.51 0.03 0.00 2.01 0.00 0.00 34.83 36.30 1j9l s MET 53 CO 0.04 0.08 0.01 0.21 -0.01 0.00 0.00 175.02 175.35 1j9l s LYS 54 N -2.62 0.20 0.16 2.03 2.20 0.32 -4.96 119.74 117.07 1j9l s LYS 54 Ca 0.03 0.12 -0.30 0.00 -0.36 0.00 0.00 55.97 55.46 1j9l s LYS 54 Cb -0.04 -0.43 -0.07 0.00 -1.51 0.00 0.00 37.83 35.77 1j9l s LYS 54 CO -0.00 -0.16 1.18 0.21 -0.36 0.00 0.00 175.35 176.22 1j9l s LYS 55 N 1.11 4.50 0.26 4.03 2.20 -1.26 -0.69 119.74 129.89 1j9l s LYS 55 Ca -0.09 1.82 0.01 0.00 -0.36 0.00 0.00 55.97 57.35 1j9l s LYS 55 Cb -0.13 -3.27 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 1j9l s LYS 55 CO -0.02 -0.09 0.10 0.14 -0.36 0.00 0.00 175.35 175.12 1j9l s VAL 56 N 0.14 0.53 -0.15 4.02 -7.23 -0.54 -4.91 120.40 112.27 1j9l s VAL 56 Ca 0.53 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.67 1j9l s VAL 56 Cb -0.31 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 33.97 1j9l s VAL 56 CO 0.35 0.00 -0.04 0.12 -0.31 0.00 0.00 175.10 175.21 1j9l s PHE 57 N -3.77 3.02 0.01 2.82 5.36 -1.26 -4.11 117.98 120.05 1j9l s PHE 57 Ca 0.38 -0.28 0.00 0.00 -0.96 0.00 0.00 56.93 56.07 1j9l s PHE 57 Cb 0.08 -1.93 0.00 0.00 -0.34 0.00 0.00 43.02 40.82 1j9l s PHE 57 CO 0.14 -0.00 0.00 -0.89 -1.46 0.00 0.00 175.22 173.00 1j9l n ILE 58 N 3.41 0.09 -3.68 3.12 2.08 -1.26 -5.08 119.36 118.04 1j9l n ILE 58 Ca -0.17 0.03 -0.14 0.00 0.56 0.00 0.00 62.75 63.03 1j9l n ILE 58 Cb 0.53 -1.26 -0.08 0.00 -0.75 0.00 0.00 39.64 38.07 1j9l n ILE 58 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1j9l s SER 59 N -5.07 -0.53 0.00 4.38 0.15 -1.26 -5.02 113.70 106.35 1j9l s SER 59 Ca 0.00 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.57 1j9l s SER 59 Cb 0.00 0.93 0.00 0.00 -1.71 0.00 0.00 66.02 65.24 1j9l s SER 59 CO 0.00 -0.27 0.68 1.21 1.20 0.00 0.00 173.24 176.06 1j9l n GLU 60 N 2.36 0.00 -0.00 5.44 2.13 -1.26 -1.17 120.64 128.13 1j9l n GLU 60 Ca -0.15 0.21 0.05 0.00 0.66 0.00 0.00 57.16 57.92 1j9l n GLU 60 Cb 0.56 -1.52 -0.07 0.00 0.27 0.00 0.00 31.44 30.68 1j9l n GLU 60 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1j9l n ARG 61 N -1.18 2.30 -4.58 5.31 0.63 -1.26 -5.01 116.66 112.88 1j9l n ARG 61 Ca 0.00 -0.04 -0.33 0.00 -0.92 0.00 0.00 57.85 56.56 1j9l n ARG 61 Cb 0.02 -1.09 -0.11 0.00 0.45 0.00 0.00 32.46 31.74 1j9l n ARG 61 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1j9l s VAL 62 N -2.26 3.69 -0.26 5.15 -7.23 -0.32 -4.72 120.40 114.45 1j9l s VAL 62 Ca 0.01 -0.56 -0.20 0.00 -1.81 0.00 0.00 61.98 59.41 1j9l s VAL 62 Cb 0.07 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.46 1j9l s VAL 62 CO 0.42 0.54 0.63 -0.69 -0.31 0.00 0.00 175.10 175.69 1j9l s VAL 63 N -0.87 4.98 0.04 1.32 1.01 -1.09 -4.50 120.40 121.30 1j9l s VAL 63 Ca 0.14 1.13 0.06 0.00 0.00 0.00 0.00 61.98 63.31 1j9l s VAL 63 Cb -0.11 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1j9l s VAL 63 CO 0.03 0.02 -0.18 0.00 0.00 0.00 0.00 175.10 174.97 1j9l s ALA 64 N 2.51 1.56 -0.04 5.51 0.00 -1.26 0.00 121.76 130.04 1j9l s ALA 64 Ca 0.26 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 51.19 1j9l s ALA 64 Cb -0.15 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.69 1j9l s ALA 64 CO 0.09 0.33 0.13 0.71 0.00 0.00 0.00 175.76 177.02 1j9l s TYR 65 N -0.83 -0.11 0.15 0.00 1.51 0.15 -1.47 117.35 116.75 1j9l s TYR 65 Ca 0.05 0.26 0.06 0.00 -1.01 0.00 0.00 57.07 56.43 1j9l s TYR 65 Cb -0.08 0.03 -0.04 0.00 -0.11 0.00 0.00 41.96 41.75 1j9l s TYR 65 CO 0.02 -0.12 0.02 -1.54 -1.11 0.00 0.00 175.55 172.83 1j9l s SER 66 N -0.23 4.99 0.12 2.29 1.04 0.14 -1.67 113.70 120.37 1j9l s SER 66 Ca -0.03 -0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.13 1j9l s SER 66 Cb -0.02 -1.15 -0.04 0.00 0.10 0.00 0.00 66.02 64.90 1j9l s SER 66 CO 0.00 0.11 -0.03 0.42 0.98 0.00 0.00 173.24 174.72 1j9l s THR 67 N -1.60 0.59 -2.12 2.02 -4.23 -0.12 -0.52 115.64 109.66 1j9l s THR 67 Ca 0.27 -1.93 0.18 0.00 -1.18 0.00 0.00 61.69 59.04 1j9l s THR 67 Cb -0.10 -1.81 0.47 0.00 1.34 0.00 0.00 72.50 72.40 1j9l s THR 67 CO 0.19 -0.75 1.60 0.35 -0.54 0.00 0.00 174.62 175.47 1j9l n THR 68 N -0.08 0.10 -3.03 3.99 -2.24 -0.73 -0.96 114.28 111.33 1j9l n THR 68 Ca -0.10 -0.16 -0.12 0.00 -2.27 0.00 0.00 64.05 61.40 1j9l n THR 68 Cb 0.62 0.02 0.04 0.00 -2.10 0.00 0.00 70.33 68.90 1j9l n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j9l n GLY 69 N 0.93 1.96 3.91 3.38 0.00 -1.26 -4.94 105.19 109.17 1j9l n GLY 69 Ca 0.14 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.68 1j9l n GLY 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j9l s THR 70 N -1.18 2.02 0.26 2.61 -4.23 -1.26 -4.55 115.64 109.30 1j9l s THR 70 Ca 0.37 -0.02 -0.03 0.00 -1.18 0.00 0.00 61.69 60.83 1j9l s THR 70 Cb -0.03 -3.00 0.26 0.00 1.34 0.00 0.00 72.50 71.07 1j9l s THR 70 CO 0.23 0.00 1.87 -0.65 -0.54 0.00 0.00 174.62 175.53 1j9l h PRO 71 N -1.15 1.08 -0.54 3.99 0.11 -1.84 0.87 132.00 134.53 1j9l h PRO 71 Ca -0.46 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 1j9l h PRO 71 Cb 1.31 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1j9l h PRO 71 CO 0.60 0.72 0.00 0.00 -0.21 0.00 0.00 178.00 179.11 1j9l h ALA 72 N 1.45 0.99 -0.77 -0.75 0.00 -1.81 -2.30 119.26 116.07 1j9l h ALA 72 Ca 0.42 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1j9l h ALA 72 Cb 0.18 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1j9l h ALA 72 CO -0.18 0.62 0.39 -0.44 0.00 0.00 0.00 179.25 179.64 1j9l h ASP 73 N 0.85 0.99 -0.81 0.00 3.32 -1.39 -2.13 116.42 117.25 1j9l h ASP 73 Ca 0.16 -0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.15 1j9l h ASP 73 Cb 0.50 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.73 1j9l h ASP 73 CO 0.02 0.83 0.49 0.00 -1.72 0.00 0.00 179.24 178.86 1j9l h VAL 75 N 0.88 1.28 -0.47 0.00 2.07 -1.05 0.13 116.25 119.10 1j9l h VAL 75 Ca 0.36 -0.96 0.04 0.00 0.82 0.00 0.00 66.70 66.96 1j9l h VAL 75 Cb 0.19 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1j9l h VAL 75 CO -0.18 0.28 0.23 0.11 0.02 0.00 0.00 177.57 178.03 1j9l h LYS 76 N -0.00 0.44 -0.58 1.57 1.57 -1.03 0.50 116.57 119.03 1j9l h LYS 76 Ca 0.04 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.73 1j9l h LYS 76 Cb 0.44 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1j9l h LYS 76 CO 0.01 0.29 0.11 -0.07 -0.57 0.00 0.00 179.45 179.23 1j9l h LEU 77 N 0.45 0.91 0.28 2.94 3.38 -0.86 -0.67 115.31 121.75 1j9l h LEU 77 Ca 0.20 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1j9l h LEU 77 Cb 0.12 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1j9l h LEU 77 CO -0.15 0.92 -0.15 0.00 0.09 0.00 0.00 178.44 179.16 1j9l h ALA 78 N 1.02 -0.40 0.01 1.53 0.00 -0.12 0.24 119.26 121.55 1j9l h ALA 78 Ca 0.18 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1j9l h ALA 78 Cb 0.39 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1j9l h ALA 78 CO 0.01 -0.73 -0.01 -0.92 0.00 0.00 0.00 179.25 177.60 1j9l h TYR 79 N -0.40 -0.02 0.04 0.00 3.20 -0.85 0.53 116.97 119.47 1j9l h TYR 79 Ca -0.04 -0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.59 1j9l h TYR 79 Cb 0.32 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 1j9l h TYR 79 CO -0.07 0.03 -1.19 -0.91 -1.64 0.00 0.00 178.16 174.38 1j9l h ASN 80 N -0.06 0.12 0.00 -2.11 4.21 -1.13 0.44 115.58 117.06 1j9l h ASN 80 Ca -0.00 -0.14 -0.16 0.00 1.21 0.00 0.00 56.30 57.20 1j9l h ASN 80 Cb 0.05 -0.04 -0.03 0.00 -1.12 0.00 0.00 38.32 37.19 1j9l h ASN 80 CO 0.00 1.12 -1.60 0.52 -1.29 0.00 0.00 177.43 176.18 1j9l n VAL 81 N -3.36 0.61 -0.01 2.81 0.31 0.81 -4.61 118.33 114.88 1j9l n VAL 81 Ca -0.05 -0.23 -0.21 0.00 -0.01 0.00 0.00 64.34 63.84 1j9l n VAL 81 Cb 0.98 -0.93 -0.13 0.00 -0.91 0.00 0.00 33.84 32.84 1j9l n VAL 81 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1j9l h VAL 82 N -0.03 1.02 -0.60 2.52 2.07 -0.95 -3.39 116.25 116.88 1j9l h VAL 82 Ca -0.24 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 64.92 1j9l h VAL 82 Cb 1.36 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.79 1j9l h VAL 82 CO -0.05 0.66 0.00 0.23 0.02 0.00 0.00 177.57 178.43 1j9l n MET 83 N -3.99 2.58 -4.02 1.57 2.81 0.18 -4.96 117.12 111.28 1j9l n MET 83 Ca -0.26 -2.24 -0.30 0.00 -1.81 0.00 0.00 57.70 53.09 1j9l n MET 83 Cb 0.86 -1.53 -0.01 0.00 -0.71 0.00 0.00 33.22 31.83 1j9l n MET 83 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1j9l n ASP 84 N 1.23 -2.36 -1.43 7.83 4.64 -1.25 -0.86 116.55 124.36 1j9l n ASP 84 Ca 0.21 -0.95 -0.19 0.00 -1.38 0.00 0.00 54.79 52.48 1j9l n ASP 84 Cb 0.56 -3.20 -0.08 0.00 -1.04 0.00 0.00 41.12 37.36 1j9l n ASP 84 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1j9l n LYS 85 N -4.45 -1.42 -3.82 -0.67 5.02 0.15 -4.93 118.16 108.04 1j9l n LYS 85 Ca -0.10 1.16 -0.33 0.00 -2.02 0.00 0.00 58.31 57.02 1j9l n LYS 85 Cb 0.58 -5.51 -0.11 0.00 -0.02 0.00 0.00 35.03 29.97 1j9l n LYS 85 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1j9l s ARG 86 N -3.58 2.42 -0.12 1.97 0.52 -0.04 -5.04 118.95 115.09 1j9l s ARG 86 Ca 0.00 -2.77 -0.00 0.00 -0.52 0.00 0.00 55.73 52.44 1j9l s ARG 86 Cb 0.00 -3.57 0.03 0.00 0.52 0.00 0.00 34.95 31.93 1j9l s ARG 86 CO 0.00 -1.18 -0.09 0.08 0.02 0.00 0.00 175.30 174.14 1j9l s VAL 87 N -0.50 1.13 -0.10 3.52 1.01 -1.26 -4.87 120.40 119.33 1j9l s VAL 87 Ca 0.19 -0.38 0.16 0.00 0.00 0.00 0.00 61.98 61.95 1j9l s VAL 87 Cb -0.19 -1.14 -0.18 0.00 0.00 0.00 0.00 36.38 34.87 1j9l s VAL 87 CO -0.05 0.37 0.69 0.47 0.00 0.00 0.00 175.10 176.57 1j9l n ASP 88 N 4.91 0.76 -3.62 3.32 8.00 0.15 -4.90 116.55 125.17 1j9l n ASP 88 Ca -0.13 0.34 -0.15 0.00 0.71 0.00 0.00 54.79 55.56 1j9l n ASP 88 Cb 0.50 0.22 -0.07 0.00 -0.02 0.00 0.00 41.12 41.75 1j9l n ASP 88 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1j9l s LEU 89 N -5.81 -0.37 -0.10 0.64 2.96 -1.09 -4.31 118.68 110.60 1j9l s LEU 89 Ca -0.04 0.94 0.04 0.00 -0.22 0.00 0.00 54.13 54.84 1j9l s LEU 89 Cb 0.08 2.21 -0.00 0.00 0.50 0.00 0.00 46.19 48.98 1j9l s LEU 89 CO 0.82 -0.39 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.60 1j9l s ILE 90 N -0.41 2.18 -0.14 6.68 1.01 -0.41 -0.51 121.20 129.60 1j9l s ILE 90 Ca -0.06 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.61 1j9l s ILE 90 Cb -0.03 -1.84 0.04 0.00 0.01 0.00 0.00 42.46 40.64 1j9l s ILE 90 CO 0.05 0.56 -0.05 -0.69 0.00 0.00 0.00 174.94 174.81 1j9l s VAL 91 N 0.32 0.94 -0.28 2.92 1.01 0.43 -0.57 120.40 125.17 1j9l s VAL 91 Ca -0.17 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 1j9l s VAL 91 Cb -0.18 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.12 1j9l s VAL 91 CO 0.08 0.21 0.08 -0.55 0.00 0.00 0.00 175.10 174.92 1j9l s SER 92 N 1.72 5.11 0.00 3.32 0.15 0.11 -1.04 113.70 123.06 1j9l s SER 92 Ca 0.03 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1j9l s SER 92 Cb -0.14 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 1j9l s SER 92 CO -0.08 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1j9l n GLY 93 N 4.89 0.20 3.69 9.45 0.00 0.84 -0.62 105.19 123.64 1j9l n GLY 93 Ca -0.15 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 1j9l n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j9l s VAL 94 N -2.93 4.87 0.38 1.61 1.01 -0.90 -3.93 120.40 120.50 1j9l s VAL 94 Ca 0.00 1.81 -0.25 0.00 0.00 0.00 0.00 61.98 63.54 1j9l s VAL 94 Cb 0.00 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.08 1j9l s VAL 94 CO 0.00 0.08 1.02 0.21 0.00 0.00 0.00 175.10 176.40 1j9l s ASN 95 N 1.06 6.94 -0.64 3.32 2.47 -0.25 -4.31 114.94 123.53 1j9l s ASN 95 Ca 0.44 1.97 -0.24 0.00 0.42 0.00 0.00 52.86 55.46 1j9l s ASN 95 Cb -0.18 -2.58 0.06 0.00 -1.45 0.00 0.00 41.25 37.09 1j9l s ASN 95 CO 0.18 -0.36 1.00 -0.60 -3.72 0.00 0.00 177.10 173.59 1j9l s ARG 96 N -2.38 3.18 0.00 0.43 3.52 -1.26 -1.20 118.95 121.24 1j9l s ARG 96 Ca 0.55 -0.59 0.00 0.00 -0.13 0.00 0.00 55.73 55.56 1j9l s ARG 96 Cb -0.21 -4.17 0.00 0.00 -1.56 0.00 0.00 34.95 29.01 1j9l s ARG 96 CO 0.26 -1.76 0.00 0.41 -0.81 0.00 0.00 175.30 173.40 1j9l n GLY 97 N 5.27 3.04 3.82 8.12 0.00 -0.49 -4.69 105.19 120.25 1j9l n GLY 97 Ca -0.01 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.79 1j9l n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j9l s PRO 98 N -3.28 3.30 -0.44 1.61 0.04 -1.25 -4.08 135.00 130.90 1j9l s PRO 98 Ca 0.00 1.04 0.03 0.00 0.04 0.00 0.00 61.00 62.11 1j9l s PRO 98 Cb 0.00 -2.04 0.16 0.00 0.04 0.00 0.00 34.50 32.66 1j9l s PRO 98 CO 0.00 -0.82 0.32 -0.80 0.04 0.00 0.00 177.00 175.74 1j9l s ASN 99 N -3.30 2.42 0.23 6.66 0.01 -1.26 -5.04 114.94 114.65 1j9l s ASN 99 Ca 0.60 -2.93 0.02 0.00 -0.71 0.00 0.00 52.86 49.84 1j9l s ASN 99 Cb -0.14 -0.65 -0.05 0.00 0.41 0.00 0.00 41.25 40.82 1j9l s ASN 99 CO 0.44 -0.20 0.03 -0.04 -1.51 0.00 0.00 177.10 175.82 1j9l s MET 100 N 0.11 1.31 4.69 -0.60 -1.94 -1.26 -4.79 119.30 116.83 1j9l s MET 100 Ca 0.27 -1.67 0.00 0.00 -1.71 0.00 0.00 55.69 52.58 1j9l s MET 100 Cb -0.06 -0.43 0.00 0.00 2.01 0.00 0.00 34.83 36.35 1j9l s MET 100 CO -0.13 -0.16 0.00 0.41 -0.01 0.00 0.00 175.02 175.13 1j9l n GLY 101 N -0.39 1.68 0.13 -0.03 0.00 -1.26 -2.46 105.19 102.85 1j9l n GLY 101 Ca -0.04 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.55 1j9l n GLY 101 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1j9l n MET 102 N 5.54 0.18 0.31 1.61 2.81 -0.07 -2.81 117.12 124.70 1j9l n MET 102 Ca 0.00 0.43 0.21 0.00 -1.81 0.00 0.00 57.70 56.53 1j9l n MET 102 Cb 0.00 -1.86 1.06 0.00 -0.71 0.00 0.00 33.22 31.71 1j9l n MET 102 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1j9l h ASP 103 N 0.00 0.00 0.43 7.83 3.32 -1.64 -2.07 116.42 124.30 1j9l h ASP 103 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1j9l h ASP 103 Cb 0.33 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 1j9l h ASP 103 CO 0.00 0.00 -0.00 0.16 -1.72 0.00 0.00 179.24 177.68 1j9l h ILE 104 N 0.00 0.02 0.00 0.35 3.07 -1.66 -1.50 117.51 117.79 1j9l h ILE 104 Ca 0.00 -0.22 -0.10 0.00 1.55 0.00 0.00 64.86 66.09 1j9l h ILE 104 Cb 0.12 1.22 -0.01 0.00 -0.27 0.00 0.00 36.82 37.88 1j9l h ILE 104 CO 0.00 0.00 -0.47 -0.07 -1.05 0.00 0.00 178.15 176.56 1j9l h LEU 105 N 0.00 0.00 -0.49 0.16 3.38 -1.64 -2.89 115.31 113.84 1j9l h LEU 105 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1j9l h LEU 105 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1j9l h LEU 105 CO 0.00 0.47 -0.55 1.41 0.09 0.00 0.00 178.44 179.86 1j9l n HIS 106 N -3.66 0.00 -2.21 1.13 8.25 -0.63 -4.28 115.22 113.83 1j9l n HIS 106 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 1j9l n HIS 106 Cb 0.55 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.57 1j9l n HIS 106 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1j9l s SER 107 N -2.69 6.81 0.21 0.41 0.15 -0.83 -0.65 113.70 117.11 1j9l s SER 107 Ca 0.16 2.00 0.04 0.00 0.70 0.00 0.00 55.95 58.85 1j9l s SER 107 Cb 0.18 -2.54 0.14 0.00 -1.71 0.00 0.00 66.02 62.09 1j9l s SER 107 CO 0.65 -0.83 1.48 1.23 1.20 0.00 0.00 173.24 176.98 1j9l h GLY 108 N 9.72 0.24 0.88 9.45 0.00 -1.77 -1.70 103.07 119.90 1j9l h GLY 108 Ca -0.34 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 1j9l h GLY 108 CO 0.95 0.30 -0.06 -0.84 0.00 0.00 0.00 176.54 176.90 1j9l h THR 109 N 0.14 0.95 -0.76 4.70 2.02 -1.89 -2.21 112.91 115.87 1j9l h THR 109 Ca -0.02 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 1j9l h THR 109 Cb 1.27 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 1j9l h THR 109 CO 0.11 0.06 0.33 0.58 0.37 0.00 0.00 175.52 176.97 1j9l h VAL 110 N -0.28 1.25 -1.00 3.16 2.07 -1.86 -2.88 116.25 116.72 1j9l h VAL 110 Ca -0.02 -0.76 0.05 0.00 0.82 0.00 0.00 66.70 66.79 1j9l h VAL 110 Cb 0.22 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.25 1j9l h VAL 110 CO 0.03 0.31 0.65 0.28 0.02 0.00 0.00 177.57 178.86 1j9l h SER 111 N 1.10 1.06 -0.20 0.57 0.02 -1.06 0.28 113.55 115.33 1j9l h SER 111 Ca 0.26 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1j9l h SER 111 Cb 0.18 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1j9l h SER 111 CO -0.03 0.71 0.12 1.23 -1.14 0.00 0.00 176.83 177.72 1j9l h GLY 112 N 1.22 0.29 1.32 -3.77 0.00 -1.18 -0.79 103.07 100.16 1j9l h GLY 112 Ca 0.41 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.54 1j9l h GLY 112 CO -0.14 0.12 -0.02 0.00 0.00 0.00 0.00 176.54 176.49 1j9l h ALA 113 N 1.04 1.04 -0.21 3.60 0.00 -1.36 -2.75 119.26 120.62 1j9l h ALA 113 Ca 0.07 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1j9l h ALA 113 Cb 0.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1j9l h ALA 113 CO -0.01 0.59 -0.14 1.98 0.00 0.00 0.00 179.25 181.67 1j9l h MET 114 N 0.76 0.35 -0.39 0.00 -1.53 -0.06 -1.01 114.93 113.05 1j9l h MET 114 Ca 0.14 -0.09 -0.07 0.00 -3.44 0.00 0.00 59.70 56.24 1j9l h MET 114 Cb 0.50 -0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.49 1j9l h MET 114 CO 0.03 0.49 -0.05 1.49 0.14 0.00 0.00 176.91 179.00 1j9l h GLU 115 N 0.33 0.65 -0.36 0.39 4.57 -0.86 -0.35 114.58 118.95 1j9l h GLU 115 Ca 0.06 -0.18 -0.06 0.00 -1.18 0.00 0.00 59.36 58.01 1j9l h GLU 115 Cb 0.44 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 1j9l h GLU 115 CO 0.03 0.71 -0.00 0.78 -1.18 0.00 0.00 179.01 179.34 1j9l h GLY 116 N 0.94 0.69 0.92 1.92 0.00 -1.08 -2.81 103.07 103.65 1j9l h GLY 116 Ca 0.12 -0.51 0.03 0.00 0.00 0.00 0.00 47.33 46.97 1j9l h GLY 116 CO 0.02 0.46 0.63 0.00 0.00 0.00 0.00 176.54 177.66 1j9l h ALA 117 N 0.87 1.25 0.00 3.60 0.00 -0.63 -0.26 119.26 124.09 1j9l h ALA 117 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1j9l h ALA 117 Cb 0.46 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1j9l h ALA 117 CO 0.02 0.54 0.00 0.52 0.00 0.00 0.00 179.25 180.33 1j9l h MET 118 N 1.24 0.00 -0.46 0.00 2.07 -0.82 0.11 114.93 117.07 1j9l h MET 118 Ca 0.37 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.00 1j9l h MET 118 Cb -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.68 1j9l h MET 118 CO -0.11 0.00 0.00 -1.33 1.07 0.00 0.00 176.91 176.54 1j9l n MET 119 N -2.83 2.87 -3.69 1.72 2.81 -0.23 -4.97 117.12 112.81 1j9l n MET 119 Ca -0.02 -2.28 -0.26 0.00 -1.81 0.00 0.00 57.70 53.33 1j9l n MET 119 Cb 0.11 -1.39 0.06 0.00 -0.71 0.00 0.00 33.22 31.28 1j9l n MET 119 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1j9l n ASN 120 N 0.80 -5.87 -4.57 7.83 3.02 0.37 -4.99 115.26 111.86 1j9l n ASN 120 Ca 0.16 -0.61 -0.34 0.00 -0.03 0.00 0.00 54.58 53.76 1j9l n ASN 120 Cb 0.51 -4.64 -0.11 0.00 -0.61 0.00 0.00 39.78 34.94 1j9l n ASN 120 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1j9l s ILE 121 N -3.30 4.19 -0.06 2.41 1.01 -0.50 -4.98 121.20 119.96 1j9l s ILE 121 Ca 0.61 -0.26 -0.35 0.00 0.00 0.00 0.00 60.65 60.65 1j9l s ILE 121 Cb -0.28 -2.83 -0.13 0.00 0.01 0.00 0.00 42.46 39.23 1j9l s ILE 121 CO 0.75 0.51 1.76 -2.65 0.00 0.00 0.00 174.94 175.32 1j9l n PRO 122 N 3.22 1.95 -4.15 2.79 -0.02 -1.26 -3.93 135.00 133.60 1j9l n PRO 122 Ca -0.17 0.71 -0.15 0.00 -2.02 0.00 0.00 63.50 61.87 1j9l n PRO 122 Cb 0.53 -2.50 -0.13 0.00 -0.02 0.00 0.00 33.50 31.38 1j9l n PRO 122 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1j9l s SER 123 N 3.12 0.98 -0.01 2.55 0.01 -1.26 -1.29 113.70 117.79 1j9l s SER 123 Ca 0.90 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 57.77 1j9l s SER 123 Cb -0.76 -0.02 -0.00 0.00 0.21 0.00 0.00 66.02 65.44 1j9l s SER 123 CO 0.51 -0.08 -0.06 -0.63 0.41 0.00 0.00 173.24 173.38 1j9l s ILE 124 N -0.94 0.52 -0.16 1.44 1.01 0.27 -1.51 121.20 121.83 1j9l s ILE 124 Ca -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 1j9l s ILE 124 Cb -0.07 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.93 1j9l s ILE 124 CO 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 174.94 174.99 1j9l s ALA 125 N -0.03 2.63 -0.05 9.38 0.00 -0.44 -0.72 121.76 132.53 1j9l s ALA 125 Ca 0.01 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 50.98 1j9l s ALA 125 Cb -0.04 -1.34 0.01 0.00 0.00 0.00 0.00 23.12 21.75 1j9l s ALA 125 CO -0.00 -0.02 -0.12 -1.50 0.00 0.00 0.00 175.76 174.13 1j9l s ILE 126 N 0.78 1.05 0.04 0.00 2.07 0.21 0.05 121.20 125.40 1j9l s ILE 126 Ca -0.04 -0.46 0.04 0.00 -1.41 0.00 0.00 60.65 58.77 1j9l s ILE 126 Cb -0.15 -0.95 -0.02 0.00 0.13 0.00 0.00 42.46 41.47 1j9l s ILE 126 CO 0.01 0.33 -0.11 -0.44 -1.91 0.00 0.00 174.94 172.82 1j9l s SER 127 N 0.48 1.25 -0.42 4.50 0.01 -0.23 -1.09 113.70 118.19 1j9l s SER 127 Ca -0.10 -0.45 -0.19 0.00 1.31 0.00 0.00 55.95 56.52 1j9l s SER 127 Cb -0.13 -0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.07 1j9l s SER 127 CO 0.02 -0.05 0.54 -0.55 0.41 0.00 0.00 173.24 173.62 1j9l s SER 128 N -1.18 6.27 0.00 2.44 0.15 -0.34 -0.48 113.70 120.56 1j9l s SER 128 Ca -0.02 -0.45 -0.01 0.00 0.70 0.00 0.00 55.95 56.17 1j9l s SER 128 Cb -0.08 -2.27 -0.02 0.00 -1.71 0.00 0.00 66.02 61.93 1j9l s SER 128 CO 0.01 -0.66 0.70 0.00 1.20 0.00 0.00 173.24 174.49 1j9l n ALA 129 N 5.92 1.76 -3.14 5.45 0.00 0.12 -1.40 120.51 129.22 1j9l n ALA 129 Ca -0.04 -0.16 0.04 0.00 0.00 0.00 0.00 53.44 53.28 1j9l n ALA 129 Cb 0.48 -2.13 -0.00 0.00 0.00 0.00 0.00 19.45 17.80 1j9l n ALA 129 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1j9l s ASN 130 N 2.57 -1.24 0.11 0.00 3.84 -1.26 -4.62 114.94 114.34 1j9l s ASN 130 Ca 0.06 0.08 -0.20 0.00 0.21 0.00 0.00 52.86 53.01 1j9l s ASN 130 Cb 0.03 1.76 -0.08 0.00 -0.55 0.00 0.00 41.25 42.42 1j9l s ASN 130 CO 0.00 -0.22 1.73 0.22 -2.79 0.00 0.00 177.10 176.04 1j9l h TYR 131 N 7.65 0.26 0.17 0.43 3.20 -1.84 -2.05 116.97 124.80 1j9l h TYR 131 Ca -0.03 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 1j9l h TYR 131 Cb 1.19 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.36 1j9l h TYR 131 CO 0.13 0.22 -0.25 0.93 -1.64 0.00 0.00 178.16 177.54 1j9l h GLU 132 N 0.23 -0.43 -3.04 1.82 4.39 -1.96 -3.37 114.58 112.21 1j9l h GLU 132 Ca 0.07 0.03 -0.62 0.00 0.34 0.00 0.00 59.36 59.18 1j9l h GLU 132 Cb 0.04 0.10 -0.41 0.00 -0.10 0.00 0.00 28.75 28.38 1j9l h GLU 132 CO -0.01 -0.29 -0.67 -1.54 -1.16 0.00 0.00 179.01 175.34 1j9l s SER 133 N -3.38 4.03 0.60 1.42 1.04 -1.23 -5.11 113.70 111.06 1j9l s SER 133 Ca -0.08 -3.29 -0.13 0.00 0.48 0.00 0.00 55.95 52.92 1j9l s SER 133 Cb 0.02 -1.36 -0.05 0.00 0.10 0.00 0.00 66.02 64.74 1j9l s SER 133 CO 0.29 -0.17 1.02 -2.16 0.98 0.00 0.00 173.24 173.21 1j9l s PRO 134 N -0.60 3.60 -0.57 4.02 0.04 -0.77 -4.78 135.00 135.93 1j9l s PRO 134 Ca 0.22 0.87 0.04 0.00 0.04 0.00 0.00 61.00 62.18 1j9l s PRO 134 Cb -0.13 -2.08 0.16 0.00 0.04 0.00 0.00 34.50 32.49 1j9l s PRO 134 CO -0.09 -0.56 0.40 0.34 0.04 0.00 0.00 177.00 177.12 1j9l s ASP 135 N -3.70 3.74 0.20 6.66 2.15 -1.26 -4.97 116.67 119.50 1j9l s ASP 135 Ca 0.57 -3.40 -0.11 0.00 0.43 0.00 0.00 52.55 50.05 1j9l s ASP 135 Cb -0.11 -1.24 0.16 0.00 -0.30 0.00 0.00 42.92 41.43 1j9l s ASP 135 CO 0.46 -0.15 1.85 -0.26 -0.17 0.00 0.00 175.17 176.90 1j9l h PHE 136 N 5.75 0.80 -0.18 -5.34 0.05 -1.96 -2.47 116.94 113.60 1j9l h PHE 136 Ca 0.13 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.93 1j9l h PHE 136 Cb 0.83 -0.27 -0.01 0.00 2.00 0.00 0.00 35.95 38.51 1j9l h PHE 136 CO 0.53 0.47 0.07 0.93 -0.18 0.00 0.00 178.31 180.14 1j9l h GLU 137 N 0.85 0.28 -0.93 1.51 5.08 -1.96 -0.63 114.58 118.78 1j9l h GLU 137 Ca 0.26 -0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.65 1j9l h GLU 137 Cb -0.01 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.12 1j9l h GLU 137 CO -0.09 0.36 0.59 0.78 -1.00 0.00 0.00 179.01 179.64 1j9l h GLY 138 N 0.14 1.44 0.81 -3.84 0.00 -1.94 0.60 103.07 100.27 1j9l h GLY 138 Ca 0.06 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 1j9l h GLY 138 CO -0.00 0.26 -0.07 0.00 0.00 0.00 0.00 176.54 176.72 1j9l h ALA 139 N 1.45 0.29 -0.32 3.60 0.00 -1.24 -1.37 119.26 121.68 1j9l h ALA 139 Ca 0.42 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1j9l h ALA 139 Cb 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1j9l h ALA 139 CO -0.20 0.10 0.18 0.00 0.00 0.00 0.00 179.25 179.33 1j9l h ALA 140 N 0.72 0.40 -0.93 0.00 0.00 -0.37 -1.16 119.26 117.93 1j9l h ALA 140 Ca 0.05 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1j9l h ALA 140 Cb 0.54 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1j9l h ALA 140 CO 0.03 -0.07 0.59 0.00 0.00 0.00 0.00 179.25 179.79 1j9l h ARG 141 N 0.39 1.07 -0.44 0.00 2.47 0.22 -1.52 114.38 116.58 1j9l h ARG 141 Ca 0.11 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 1j9l h ARG 141 Cb 0.05 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.11 1j9l h ARG 141 CO -0.02 0.71 0.23 0.35 0.56 0.00 0.00 179.97 181.80 1j9l h PHE 142 N 1.10 0.62 -0.06 3.04 3.57 -0.68 -2.61 116.94 121.91 1j9l h PHE 142 Ca 0.39 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.88 1j9l h PHE 142 Cb 0.11 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1j9l h PHE 142 CO -0.02 0.48 -0.01 1.25 -2.23 0.00 0.00 178.31 177.78 1j9l h LEU 143 N 0.57 -0.05 -0.62 0.59 5.85 -0.38 0.22 115.31 121.49 1j9l h LEU 143 Ca 0.15 0.02 0.13 0.00 0.84 0.00 0.00 57.88 59.02 1j9l h LEU 143 Cb 0.08 0.04 -0.11 0.00 0.37 0.00 0.00 40.66 41.03 1j9l h LEU 143 CO -0.02 -0.02 -0.04 0.40 -0.34 0.00 0.00 178.44 178.42 1j9l h ILE 144 N 0.00 0.45 -0.57 4.05 1.08 -1.16 0.27 117.51 121.63 1j9l h ILE 144 Ca 0.03 -0.03 -0.11 0.00 -0.39 0.00 0.00 64.86 64.36 1j9l h ILE 144 Cb 0.04 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.14 1j9l h ILE 144 CO -0.06 0.02 -0.07 -0.78 -0.69 0.00 0.00 178.15 176.56 1j9l h ASP 145 N 0.08 1.05 -0.89 1.72 1.82 -1.08 -2.94 116.42 116.19 1j9l h ASP 145 Ca 0.32 -0.33 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1j9l h ASP 145 Cb 0.52 -0.29 -0.04 0.00 0.68 0.00 0.00 39.33 40.20 1j9l h ASP 145 CO -0.56 1.14 0.54 0.15 -1.61 0.00 0.00 179.24 178.89 1j9l h PHE 146 N 0.95 1.16 0.00 0.28 3.57 0.19 -2.20 116.94 120.89 1j9l h PHE 146 Ca 0.15 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1j9l h PHE 146 Cb 0.64 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1j9l h PHE 146 CO 0.04 0.77 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.63 1j9l h LEU 147 N 1.22 0.00 0.00 0.59 3.38 -0.43 0.03 115.31 120.10 1j9l h LEU 147 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1j9l h LEU 147 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1j9l h LEU 147 CO -0.06 0.19 -0.14 0.29 0.09 0.00 0.00 178.44 178.81 1j9l n LYS 148 N -3.95 0.13 0.00 1.13 5.02 -0.84 -4.25 118.16 115.40 1j9l n LYS 148 Ca -0.02 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1j9l n LYS 148 Cb 0.28 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1j9l n LYS 148 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1j9l n GLU 149 N -1.86 1.44 -3.19 1.97 1.02 -0.89 -5.05 120.64 114.08 1j9l n GLU 149 Ca 0.06 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.81 1j9l n GLU 149 Cb 0.39 -0.88 -0.06 0.00 -0.02 0.00 0.00 31.44 30.87 1j9l n GLU 149 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1j9l s PHE 150 N -1.70 3.83 -0.50 -0.32 5.36 -0.05 -5.04 117.98 119.56 1j9l s PHE 150 Ca 0.00 1.36 -0.15 0.00 -0.96 0.00 0.00 56.93 57.19 1j9l s PHE 150 Cb 0.00 -2.58 0.11 0.00 -0.34 0.00 0.00 43.02 40.21 1j9l s PHE 150 CO 0.00 0.55 0.43 0.34 -1.46 0.00 0.00 175.22 175.08 1j9l s ASP 151 N -1.06 6.08 0.14 6.13 2.15 -1.26 -4.92 116.67 123.92 1j9l s ASP 151 Ca 0.31 -1.63 0.15 0.00 0.43 0.00 0.00 52.55 51.80 1j9l s ASP 151 Cb -0.20 -2.16 0.68 0.00 -0.30 0.00 0.00 42.92 40.93 1j9l s ASP 151 CO 0.21 -0.75 1.45 0.49 -0.17 0.00 0.00 175.17 176.40 1j9l n PHE 152 N 5.17 0.37 0.46 -5.34 3.01 -1.26 -1.90 117.46 117.97 1j9l n PHE 152 Ca -0.12 0.17 0.08 0.00 1.01 0.00 0.00 57.45 58.58 1j9l n PHE 152 Cb 0.41 -0.77 0.34 0.00 -0.01 0.00 0.00 39.48 39.45 1j9l n PHE 152 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1j9l n SER 153 N -1.86 0.13 0.00 4.37 3.41 -1.26 -1.27 113.62 117.15 1j9l n SER 153 Ca 0.01 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 1j9l n SER 153 Cb 0.11 -0.56 0.47 0.00 -0.26 0.00 0.00 64.21 63.97 1j9l n SER 153 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1j9l n LEU 154 N -1.64 0.22 -4.67 1.04 4.77 -0.80 -4.80 117.00 111.12 1j9l n LEU 154 Ca 0.03 0.31 -0.43 0.00 -0.03 0.00 0.00 56.01 55.90 1j9l n LEU 154 Cb 0.17 -0.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.85 1j9l n LEU 154 CO 0.14 0.04 0.91 -0.76 -1.33 0.00 0.00 177.39 176.39 1j9l s LEU 155 N -3.06 4.16 0.98 2.23 1.02 -0.39 -5.02 118.68 118.59 1j9l s LEU 155 Ca 0.13 1.49 -0.12 0.00 0.02 0.00 0.00 54.13 55.65 1j9l s LEU 155 Cb 0.18 -3.55 0.18 0.00 0.02 0.00 0.00 46.19 43.02 1j9l s LEU 155 CO 0.60 -0.62 1.08 -1.81 0.02 0.00 0.00 176.35 175.63 1j9l s ASP 156 N 1.28 2.72 0.54 2.29 -0.00 -1.26 -4.92 116.67 117.33 1j9l s ASP 156 Ca 0.47 1.45 -0.21 0.00 -0.00 0.00 0.00 52.55 54.27 1j9l s ASP 156 Cb -0.17 -2.13 -0.06 0.00 -0.00 0.00 0.00 42.92 40.56 1j9l s ASP 156 CO 0.11 -3.10 1.11 -2.65 -0.00 0.00 0.00 175.17 170.64 1j9l n PRO 157 N -4.18 1.27 -2.53 8.23 -0.02 -1.26 -2.63 135.00 133.88 1j9l n PRO 157 Ca 0.06 0.47 -0.15 0.00 -2.02 0.00 0.00 63.50 61.86 1j9l n PRO 157 Cb 0.55 -2.28 -0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1j9l n PRO 157 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1j9l n PHE 158 N -1.23 -1.40 -5.17 6.00 3.01 -1.26 -4.97 117.46 112.45 1j9l n PHE 158 Ca 0.12 0.06 -0.32 0.00 1.01 0.00 0.00 57.45 58.31 1j9l n PHE 158 Cb 0.45 -3.02 -0.16 0.00 -0.01 0.00 0.00 39.48 36.74 1j9l n PHE 158 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1j9l s THR 159 N -2.72 2.30 0.41 4.37 2.01 -1.08 -4.08 115.64 116.85 1j9l s THR 159 Ca 0.04 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.12 1j9l s THR 159 Cb -0.02 -1.86 -0.07 0.00 0.01 0.00 0.00 72.50 70.57 1j9l s THR 159 CO 0.05 0.57 0.02 0.00 -0.69 0.00 0.00 174.62 174.57 1j9l s MET 160 N -0.22 1.94 -0.20 4.92 0.23 -0.30 -4.61 119.30 121.07 1j9l s MET 160 Ca -0.01 -2.12 -0.03 0.00 -1.03 0.00 0.00 55.69 52.50 1j9l s MET 160 Cb -0.13 -1.48 -0.00 0.00 -1.53 0.00 0.00 34.83 31.69 1j9l s MET 160 CO 0.03 -0.13 -0.08 -0.51 -2.03 0.00 0.00 175.02 172.30 1j9l s LEU 161 N -3.70 2.74 -0.39 0.18 1.02 -0.57 -1.29 118.68 116.68 1j9l s LEU 161 Ca 0.31 -0.43 -0.17 0.00 0.02 0.00 0.00 54.13 53.87 1j9l s LEU 161 Cb 0.08 -1.68 0.01 0.00 0.02 0.00 0.00 46.19 44.63 1j9l s LEU 161 CO 0.15 0.01 0.43 0.21 0.02 0.00 0.00 176.35 177.17 1j9l s ASN 162 N 1.28 6.20 -0.13 2.29 3.04 0.12 -1.33 114.94 126.41 1j9l s ASN 162 Ca 0.03 -0.50 -0.01 0.00 0.04 0.00 0.00 52.86 52.43 1j9l s ASN 162 Cb -0.14 -2.22 -0.02 0.00 -1.54 0.00 0.00 41.25 37.32 1j9l s ASN 162 CO -0.04 -0.51 -0.10 -0.63 -3.04 0.00 0.00 177.10 172.78 1j9l s ILE 163 N 2.14 3.38 -0.16 -5.21 1.01 0.11 -1.07 121.20 121.40 1j9l s ILE 163 Ca 0.13 -0.55 0.01 0.00 0.00 0.00 0.00 60.65 60.23 1j9l s ILE 163 Cb -0.17 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 39.90 1j9l s ILE 163 CO 0.13 0.53 -0.15 0.20 0.00 0.00 0.00 174.94 175.65 1j9l s ASN 164 N 0.18 2.91 -0.20 3.58 -0.87 -0.18 -1.07 114.94 119.30 1j9l s ASN 164 Ca -0.05 -0.59 -0.09 0.00 -1.57 0.00 0.00 52.86 50.55 1j9l s ASN 164 Cb -0.15 -1.26 -0.05 0.00 -0.02 0.00 0.00 41.25 39.78 1j9l s ASN 164 CO 0.04 -0.06 0.11 -0.69 -2.57 0.00 0.00 177.10 173.93 1j9l s VAL 165 N 1.42 5.13 0.45 1.60 1.01 0.37 -1.00 120.40 129.38 1j9l s VAL 165 Ca 0.04 0.09 -0.25 0.00 0.00 0.00 0.00 61.98 61.86 1j9l s VAL 165 Cb -0.13 -3.34 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 1j9l s VAL 165 CO -0.11 0.43 1.34 -2.65 0.00 0.00 0.00 175.10 174.11 1j9l n PRO 166 N 3.71 2.03 0.10 2.72 -0.02 -1.26 -0.70 135.00 141.57 1j9l n PRO 166 Ca -0.16 0.72 -0.02 0.00 -2.02 0.00 0.00 63.50 62.02 1j9l n PRO 166 Cb 0.52 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 1j9l n PRO 166 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j9l h ALA 167 N 2.09 0.53 -3.00 3.55 0.00 -1.91 -3.44 119.26 117.08 1j9l h ALA 167 Ca -0.49 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1j9l h ALA 167 Cb 1.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1j9l h ALA 167 CO 0.60 0.93 0.00 0.41 0.00 0.00 0.00 179.25 181.19 1j9l n GLY 168 N 1.23 1.21 3.82 0.00 0.00 -1.26 -4.62 105.19 105.57 1j9l n GLY 168 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1j9l n GLY 168 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j9l s GLU 169 N 0.72 4.01 -0.62 1.61 2.12 -1.26 -5.04 118.70 120.24 1j9l s GLU 169 Ca 0.00 0.44 -0.13 0.00 0.36 0.00 0.00 54.97 55.64 1j9l s GLU 169 Cb 0.00 -3.25 0.16 0.00 0.26 0.00 0.00 34.13 31.29 1j9l s GLU 169 CO 0.00 0.61 0.55 0.42 -0.54 0.00 0.00 175.26 176.30 1j9l s ILE 170 N -0.84 5.02 0.26 -3.70 1.01 -1.26 -4.66 121.20 117.04 1j9l s ILE 170 Ca 0.24 -1.96 0.23 0.00 0.00 0.00 0.00 60.65 59.17 1j9l s ILE 170 Cb -0.17 -4.20 0.23 0.00 0.01 0.00 0.00 42.46 38.33 1j9l s ILE 170 CO 0.13 -0.90 1.90 0.11 0.00 0.00 0.00 174.94 176.18 1j9l h LYS 171 N 8.33 0.00 0.00 2.79 1.57 -0.24 -3.49 116.57 125.53 1j9l h LYS 171 Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1j9l h LYS 171 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1j9l h LYS 171 CO 0.89 0.23 0.00 0.41 -0.57 0.00 0.00 179.45 180.41 1j9l n GLY 172 N -0.18 -1.36 3.33 3.86 0.00 -1.25 -5.02 105.19 104.58 1j9l n GLY 172 Ca -0.01 -1.21 -0.22 0.00 0.00 0.00 0.00 46.02 44.58 1j9l n GLY 172 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1j9l s TRP 173 N -3.00 1.84 -0.12 1.61 0.51 -1.26 0.30 118.94 118.83 1j9l s TRP 173 Ca 0.00 -0.46 -0.14 0.00 -2.12 0.00 0.00 56.10 53.38 1j9l s TRP 173 Cb 0.00 -0.93 0.03 0.00 -0.81 0.00 0.00 33.47 31.77 1j9l s TRP 173 CO 0.00 0.33 0.37 -0.98 -0.51 0.00 0.00 176.95 176.16 1j9l s ARG 174 N -2.71 0.50 0.03 4.98 1.70 -0.51 -4.87 118.95 118.07 1j9l s ARG 174 Ca 0.15 0.38 -0.30 0.00 -0.47 0.00 0.00 55.73 55.49 1j9l s ARG 174 Cb -0.06 0.24 -0.04 0.00 -0.57 0.00 0.00 34.95 34.51 1j9l s ARG 174 CO 0.07 -0.08 1.10 -0.06 -1.08 0.00 0.00 175.30 175.24 1j9l s PHE 175 N -0.12 3.53 0.35 5.89 0.40 -1.26 -2.14 117.98 124.63 1j9l s PHE 175 Ca -0.03 1.48 0.04 0.00 -0.60 0.00 0.00 56.93 57.82 1j9l s PHE 175 Cb -0.03 -3.28 -0.06 0.00 0.51 0.00 0.00 43.02 40.16 1j9l s PHE 175 CO 0.01 -0.71 0.06 0.95 0.70 0.00 0.00 175.22 176.24 1j9l s THR 176 N 1.07 1.18 0.22 0.64 -4.23 0.06 -4.89 115.64 109.69 1j9l s THR 176 Ca 0.56 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.14 1j9l s THR 176 Cb -0.26 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 1j9l s THR 176 CO 0.28 0.00 0.04 0.00 -0.54 0.00 0.00 174.62 174.41 1j9l s ARG 177 N -3.85 2.50 0.30 3.99 1.70 -0.62 -4.20 118.95 118.77 1j9l s ARG 177 Ca 0.33 -1.18 -0.29 0.00 -0.47 0.00 0.00 55.73 54.12 1j9l s ARG 177 Cb 0.08 -2.35 -0.10 0.00 -0.57 0.00 0.00 34.95 32.01 1j9l s ARG 177 CO 0.15 0.42 1.33 -1.14 -1.08 0.00 0.00 175.30 174.97 1j9l s GLN 178 N -3.36 4.35 0.56 3.89 0.74 -1.26 -1.72 119.66 122.86 1j9l s GLN 178 Ca 0.30 2.20 -0.01 0.00 0.05 0.00 0.00 55.36 57.90 1j9l s GLN 178 Cb -0.08 -3.10 0.11 0.00 1.10 0.00 0.00 33.01 31.05 1j9l s GLN 178 CO 0.20 -0.23 0.77 -1.13 -0.55 0.00 0.00 175.29 174.36 1j9l n SER 179 N 1.32 0.95 -1.30 6.67 3.41 -1.26 -4.81 113.62 118.60 1j9l n SER 179 Ca 0.02 -1.82 0.05 0.00 -0.26 0.00 0.00 58.87 56.86 1j9l n SER 179 Cb 0.42 -0.51 0.29 0.00 -0.26 0.00 0.00 64.21 64.15 1j9l n SER 179 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1j9l n ARG 180 N -2.44 3.38 -1.64 4.33 1.85 -1.26 -3.90 116.66 116.97 1j9l n ARG 180 Ca 0.12 -2.98 -0.47 0.00 -1.00 0.00 0.00 57.85 53.52 1j9l n ARG 180 Cb 0.44 -1.99 -0.04 0.00 -1.05 0.00 0.00 32.46 29.82 1j9l n ARG 180 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1j9l n ARG 181 N -0.27 1.80 -0.41 2.89 0.63 -1.26 -4.58 116.66 115.45 1j9l n ARG 181 Ca 0.27 0.64 0.00 0.00 -0.92 0.00 0.00 57.85 57.84 1j9l n ARG 181 Cb 1.05 -2.31 0.00 0.00 0.45 0.00 0.00 32.46 31.65 1j9l n ARG 181 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1j9l n ARG 182 N 2.52 0.00 -4.19 -0.14 1.85 -1.08 -0.89 116.66 114.73 1j9l n ARG 182 Ca 0.15 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.81 1j9l n ARG 182 Cb 0.27 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.56 1j9l n ARG 182 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1j9l s TRP 183 N -3.73 1.22 -1.04 2.89 0.52 -1.26 -0.29 118.94 117.26 1j9l s TRP 183 Ca 0.00 -0.45 -0.14 0.00 0.02 0.00 0.00 56.10 55.53 1j9l s TRP 183 Cb 0.00 -0.69 0.19 0.00 -1.15 0.00 0.00 33.47 31.82 1j9l s TRP 183 CO 0.00 0.06 1.15 -0.80 0.02 0.00 0.00 176.95 177.38 1j9l s ASN 184 N -1.67 6.95 0.20 2.95 0.02 0.69 -4.91 114.94 119.18 1j9l s ASN 184 Ca -0.01 -2.82 -0.01 0.00 -1.02 0.00 0.00 52.86 48.99 1j9l s ASN 184 Cb -0.10 -2.32 -0.04 0.00 0.02 0.00 0.00 41.25 38.81 1j9l s ASN 184 CO 0.02 -0.69 0.40 1.51 0.02 0.00 0.00 177.10 178.36 1j9l s ASP 185 N 2.58 6.40 0.00 -1.22 1.47 -1.26 -1.82 116.67 122.81 1j9l s ASP 185 Ca 0.33 0.44 0.00 0.00 1.18 0.00 0.00 52.55 54.50 1j9l s ASP 185 Cb -0.06 -2.03 0.00 0.00 -0.34 0.00 0.00 42.92 40.49 1j9l s ASP 185 CO -0.06 -0.05 0.00 0.00 0.68 0.00 0.00 175.17 175.74 1j9l n TYR 186 N -0.61 -0.55 -4.47 2.11 0.18 0.04 -4.96 117.16 108.90 1j9l n TYR 186 Ca -0.04 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.53 1j9l n TYR 186 Cb 0.54 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.36 1j9l n TYR 186 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1j9l s PHE 187 N -5.92 1.27 -0.35 -3.48 0.40 -1.26 -0.86 117.98 107.77 1j9l s PHE 187 Ca 0.00 -0.31 -0.14 0.00 -0.60 0.00 0.00 56.93 55.88 1j9l s PHE 187 Cb 0.00 -0.77 -0.01 0.00 0.51 0.00 0.00 43.02 42.74 1j9l s PHE 187 CO 0.00 0.02 0.28 -2.00 0.70 0.00 0.00 175.22 174.22 1j9l s GLU 188 N -0.84 3.44 -0.05 0.44 2.56 -0.08 -4.92 118.70 119.26 1j9l s GLU 188 Ca 0.03 -0.64 -0.17 0.00 0.00 0.00 0.00 54.97 54.19 1j9l s GLU 188 Cb -0.07 -3.83 -0.05 0.00 2.00 0.00 0.00 34.13 32.18 1j9l s GLU 188 CO 0.01 -0.51 0.47 -2.00 -0.56 0.00 0.00 175.26 172.66 1j9l s GLU 189 N 1.80 4.18 0.24 4.30 2.12 -1.26 -1.48 118.70 128.60 1j9l s GLU 189 Ca 0.07 0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.89 1j9l s GLU 189 Cb -0.17 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1j9l s GLU 189 CO 0.11 0.40 0.12 1.03 -0.54 0.00 0.00 175.26 176.39 1j9l s ARG 190 N -0.19 1.33 -0.09 4.30 0.52 -0.74 -4.99 118.95 119.09 1j9l s ARG 190 Ca 0.26 -1.72 0.04 0.00 -0.52 0.00 0.00 55.73 53.79 1j9l s ARG 190 Cb -0.16 0.03 -0.00 0.00 0.52 0.00 0.00 34.95 35.34 1j9l s ARG 190 CO 0.13 -0.37 -0.23 0.08 0.02 0.00 0.00 175.30 174.93 1j9l s VAL 191 N -3.94 2.14 0.90 3.52 1.01 -1.26 -0.51 120.40 122.27 1j9l s VAL 191 Ca 0.38 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.22 1j9l s VAL 191 Cb 0.07 -1.81 0.15 0.00 0.00 0.00 0.00 36.38 34.79 1j9l s VAL 191 CO 0.14 0.56 1.25 -0.94 0.00 0.00 0.00 175.10 176.11 1j9l s SER 192 N 0.18 3.70 0.40 3.32 1.04 0.05 -4.94 113.70 117.46 1j9l s SER 192 Ca -0.14 0.53 0.08 0.00 0.48 0.00 0.00 55.95 56.90 1j9l s SER 192 Cb -0.17 -0.80 0.83 0.00 0.10 0.00 0.00 66.02 65.99 1j9l s SER 192 CO 0.07 -2.39 2.00 -0.65 0.98 0.00 0.00 173.24 173.25 1j9l h PRO 193 N -1.40 0.41 -0.85 4.02 0.11 -2.01 -2.41 132.00 129.87 1j9l h PRO 193 Ca -0.45 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 1j9l h PRO 193 Cb 1.28 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1j9l h PRO 193 CO 0.51 0.36 0.07 1.97 -0.21 0.00 0.00 178.00 180.71 1j9l n PHE 194 N -4.39 1.07 -0.93 0.65 1.16 -1.26 -4.90 117.46 108.85 1j9l n PHE 194 Ca 0.01 -0.51 0.00 0.00 -1.87 0.00 0.00 57.45 55.08 1j9l n PHE 194 Cb 0.15 -0.35 0.00 0.00 -1.61 0.00 0.00 39.48 37.67 1j9l n PHE 194 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1j9l n GLY 195 N 0.17 0.52 3.78 4.97 0.00 -0.91 -5.02 105.19 108.69 1j9l n GLY 195 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1j9l n GLY 195 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j9l s GLU 196 N -0.46 3.98 0.44 1.61 2.12 -1.26 -4.81 118.70 120.33 1j9l s GLU 196 Ca 0.00 -0.07 -0.21 0.00 0.36 0.00 0.00 54.97 55.05 1j9l s GLU 196 Cb 0.00 -3.34 -0.10 0.00 0.26 0.00 0.00 34.13 30.95 1j9l s GLU 196 CO 0.00 0.45 0.98 -1.59 -0.54 0.00 0.00 175.26 174.56 1j9l s LYS 197 N -0.10 4.10 0.14 4.30 -2.85 -1.26 -0.77 119.74 123.31 1j9l s LYS 197 Ca 0.13 1.21 0.04 0.00 -1.00 0.00 0.00 55.97 56.35 1j9l s LYS 197 Cb -0.12 -2.18 -0.04 0.00 -2.06 0.00 0.00 37.83 33.42 1j9l s LYS 197 CO 0.02 -0.15 -0.09 1.52 0.10 0.00 0.00 175.35 176.75 1j9l s TYR 198 N -2.09 1.21 -0.07 1.78 -0.85 0.34 -4.89 117.35 112.78 1j9l s TYR 198 Ca 0.63 -0.80 0.05 0.00 -0.52 0.00 0.00 57.07 56.44 1j9l s TYR 198 Cb -0.12 -0.63 -0.01 0.00 0.38 0.00 0.00 41.96 41.58 1j9l s TYR 198 CO 0.16 0.03 -0.24 0.71 -1.52 0.00 0.00 175.55 174.70 1j9l s TYR 199 N -3.39 2.38 -0.26 -3.49 1.51 -1.26 -1.79 117.35 111.05 1j9l s TYR 199 Ca 0.16 -0.80 -0.08 0.00 -1.01 0.00 0.00 57.07 55.35 1j9l s TYR 199 Cb 0.03 -1.58 -0.03 0.00 -0.11 0.00 0.00 41.96 40.28 1j9l s TYR 199 CO -0.00 -0.28 0.09 -1.58 -1.11 0.00 0.00 175.55 172.67 1j9l s TRP 200 N 0.04 3.11 0.23 2.71 0.23 -0.55 -4.94 118.94 119.77 1j9l s TRP 200 Ca -0.09 -0.39 -0.30 0.00 -2.03 0.00 0.00 56.10 53.29 1j9l s TRP 200 Cb -0.15 -2.27 -0.09 0.00 0.03 0.00 0.00 33.47 31.00 1j9l s TRP 200 CO 0.05 -0.35 1.20 1.41 0.96 0.00 0.00 176.95 180.22 1j9l s MET 201 N 1.63 4.50 0.22 4.98 1.75 -1.26 -0.90 119.30 130.22 1j9l s MET 201 Ca 0.06 1.92 -0.02 0.00 -1.25 0.00 0.00 55.69 56.40 1j9l s MET 201 Cb -0.15 -3.20 -0.03 0.00 2.84 0.00 0.00 34.83 34.28 1j9l s MET 201 CO 0.05 -0.03 0.19 -1.64 -0.65 0.00 0.00 175.02 172.93 1j9l s MET 202 N -0.79 1.29 0.00 4.11 -1.94 -0.04 -4.90 119.30 117.03 1j9l s MET 202 Ca 0.50 -1.61 0.00 0.00 -1.71 0.00 0.00 55.69 52.88 1j9l s MET 202 Cb -0.34 0.30 0.00 0.00 2.01 0.00 0.00 34.83 36.80 1j9l s MET 202 CO 0.40 -0.44 0.00 0.41 -0.01 0.00 0.00 175.02 175.38 1j9l n GLY 203 N -0.31 1.17 3.32 -0.03 0.00 -1.26 -0.78 105.19 107.29 1j9l n GLY 203 Ca 0.02 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 1j9l n GLY 203 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j9l s GLU 204 N -2.00 2.61 0.54 1.61 0.41 -0.76 -4.92 118.70 116.19 1j9l s GLU 204 Ca 0.00 -0.85 -0.21 0.00 -0.41 0.00 0.00 54.97 53.51 1j9l s GLU 204 Cb 0.00 -2.24 -0.05 0.00 -1.78 0.00 0.00 34.13 30.05 1j9l s GLU 204 CO 0.00 0.41 1.20 0.54 -0.49 0.00 0.00 175.26 176.92 1j9l s VAL 205 N -0.22 2.81 -0.19 2.63 0.11 -1.26 -0.22 120.40 124.06 1j9l s VAL 205 Ca -0.01 0.55 0.01 0.00 -2.93 0.00 0.00 61.98 59.60 1j9l s VAL 205 Cb -0.13 -3.25 0.02 0.00 -1.53 0.00 0.00 36.38 31.49 1j9l s VAL 205 CO 0.03 -0.07 -0.18 -0.63 -3.33 0.00 0.00 175.10 170.93 1j9l s ILE 206 N -1.58 2.18 -0.40 7.04 1.01 0.61 -4.79 121.20 125.27 1j9l s ILE 206 Ca 0.71 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 60.41 1j9l s ILE 206 Cb -0.30 -1.96 0.11 0.00 0.01 0.00 0.00 42.46 40.33 1j9l s ILE 206 CO 0.34 0.47 0.14 -1.61 0.00 0.00 0.00 174.94 174.29 1j9l s GLU 207 N 1.29 1.42 -0.07 2.79 2.02 -1.26 -2.64 118.70 122.24 1j9l s GLU 207 Ca 0.04 -1.93 0.17 0.00 0.02 0.00 0.00 54.97 53.27 1j9l s GLU 207 Cb -0.14 -2.84 0.34 0.00 0.10 0.00 0.00 34.13 31.60 1j9l s GLU 207 CO -0.11 -1.03 1.16 -0.40 0.02 0.00 0.00 175.26 174.89 1j9l n ASP 208 N 3.96 1.18 -4.70 -0.19 5.68 -1.26 -5.07 116.55 116.15 1j9l n ASP 208 Ca 0.04 -2.66 -0.42 0.00 -0.50 0.00 0.00 54.79 51.25 1j9l n ASP 208 Cb 0.38 -0.36 -0.03 0.00 -1.14 0.00 0.00 41.12 39.97 1j9l n ASP 208 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1j9l s ASP 209 N -2.28 7.29 0.05 -1.12 -1.08 -1.26 -4.94 116.67 113.32 1j9l s ASP 209 Ca 0.29 1.58 -0.08 0.00 -0.52 0.00 0.00 52.55 53.82 1j9l s ASP 209 Cb 0.31 -2.55 -0.31 0.00 -1.46 0.00 0.00 42.92 38.91 1j9l s ASP 209 CO -0.09 -0.33 1.05 0.44 0.52 0.00 0.00 175.17 176.75 1j9l h ASP 210 N 6.93 0.56 -3.16 -0.34 5.19 -2.04 -3.46 116.42 120.10 1j9l h ASP 210 Ca -0.37 -0.63 -0.58 0.00 -0.62 0.00 0.00 57.03 54.84 1j9l h ASP 210 Cb 1.19 -0.18 0.14 0.00 0.18 0.00 0.00 39.33 40.65 1j9l h ASP 210 CO 0.79 1.49 0.18 0.54 -3.12 0.00 0.00 179.24 179.13 1j9l n ARG 211 N -3.58 1.34 0.09 3.56 1.74 -1.26 -4.92 116.66 113.62 1j9l n ARG 211 Ca -0.13 0.48 0.07 0.00 -0.77 0.00 0.00 57.85 57.51 1j9l n ARG 211 Cb 1.05 -2.08 -0.02 0.00 -1.02 0.00 0.00 32.46 30.39 1j9l n ARG 211 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1j9l h ASP 212 N 1.44 0.00 -0.80 0.55 3.58 -2.04 -3.38 116.42 115.78 1j9l h ASP 212 Ca -0.45 0.00 -0.43 0.00 0.42 0.00 0.00 57.03 56.57 1j9l h ASP 212 Cb 1.34 0.00 -0.25 0.00 1.72 0.00 0.00 39.33 42.14 1j9l h ASP 212 CO 0.56 0.22 0.54 -0.90 -2.88 0.00 0.00 179.24 176.78 1j9l n ASP 213 N -2.79 3.90 -4.90 2.28 5.75 -1.26 -4.81 116.55 114.72 1j9l n ASP 213 Ca -0.03 -3.31 -0.28 0.00 -0.01 0.00 0.00 54.79 51.16 1j9l n ASP 213 Cb 0.66 -0.79 -0.02 0.00 -1.03 0.00 0.00 41.12 39.93 1j9l n ASP 213 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1j9l s VAL 214 N -2.75 4.95 0.15 2.12 -7.23 -1.26 -1.59 120.40 114.79 1j9l s VAL 214 Ca 0.46 0.14 -0.30 0.00 -1.81 0.00 0.00 61.98 60.48 1j9l s VAL 214 Cb 0.39 -3.79 -0.05 0.00 0.56 0.00 0.00 36.38 33.49 1j9l s VAL 214 CO 0.08 -0.55 1.56 -2.24 -0.31 0.00 0.00 175.10 173.64 1j9l h ASP 215 N 1.04 -1.67 -0.04 4.85 3.04 -1.65 -2.80 116.42 119.20 1j9l h ASP 215 Ca -0.48 0.24 -0.03 0.00 -3.24 0.00 0.00 57.03 53.53 1j9l h ASP 215 Cb 1.20 0.71 -0.01 0.00 -1.04 0.00 0.00 39.33 40.19 1j9l h ASP 215 CO 0.64 -0.38 -0.03 0.10 -2.04 0.00 0.00 179.24 177.53 1j9l h TYR 216 N -0.33 0.20 -0.35 4.15 -0.00 -1.96 -2.41 116.97 116.27 1j9l h TYR 216 Ca 0.12 -0.01 -0.09 0.00 0.00 0.00 0.00 58.73 58.74 1j9l h TYR 216 Cb 0.58 -0.06 -0.02 0.00 0.00 0.00 0.00 36.73 37.24 1j9l h TYR 216 CO -0.70 0.25 -0.17 0.87 -0.00 0.00 0.00 178.16 178.41 1j9l h LYS 217 N 0.20 0.65 -0.07 0.10 1.57 -1.85 -0.19 116.57 116.98 1j9l h LYS 217 Ca 0.05 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1j9l h LYS 217 Cb 0.20 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 1j9l h LYS 217 CO 0.01 0.79 -0.02 0.00 -0.57 0.00 0.00 179.45 179.66 1j9l h ALA 218 N 1.23 0.10 -0.78 3.86 0.00 -1.30 -2.60 119.26 119.76 1j9l h ALA 218 Ca 0.09 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1j9l h ALA 218 Cb 0.62 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1j9l h ALA 218 CO 0.04 -0.18 0.49 0.28 0.00 0.00 0.00 179.25 179.88 1j9l h VAL 219 N -0.20 1.10 -0.73 0.00 2.07 -1.32 -0.83 116.25 116.34 1j9l h VAL 219 Ca 0.02 -0.33 0.06 0.00 0.82 0.00 0.00 66.70 67.27 1j9l h VAL 219 Cb 0.41 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1j9l h VAL 219 CO 0.01 0.17 0.48 -0.09 0.02 0.00 0.00 177.57 178.16 1j9l h ARG 220 N 0.95 0.77 -0.28 1.57 2.43 -0.94 -0.95 114.38 117.93 1j9l h ARG 220 Ca 0.32 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1j9l h ARG 220 Cb 0.04 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 1j9l h ARG 220 CO -0.12 0.51 0.00 0.39 -1.51 0.00 0.00 179.97 179.24 1j9l n GLU 221 N -4.48 1.60 -0.96 0.20 1.02 -0.67 -4.89 120.64 112.46 1j9l n GLU 221 Ca 0.10 -0.87 0.00 0.00 -0.02 0.00 0.00 57.16 56.37 1j9l n GLU 221 Cb 0.20 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1j9l n GLU 221 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j9l n GLY 222 N 0.84 0.47 3.48 0.62 0.00 -0.36 -4.86 105.19 105.37 1j9l n GLY 222 Ca 0.08 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 1j9l n GLY 222 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j9l s TYR 223 N -2.00 2.59 0.05 1.61 1.51 -0.41 0.54 117.35 121.25 1j9l s TYR 223 Ca 0.00 -0.23 -0.31 0.00 -1.01 0.00 0.00 57.07 55.52 1j9l s TYR 223 Cb 0.00 -1.47 -0.06 0.00 -0.11 0.00 0.00 41.96 40.32 1j9l s TYR 223 CO 0.00 0.28 1.33 0.08 -1.11 0.00 0.00 175.55 176.13 1j9l s VAL 224 N -0.95 3.70 -0.16 0.71 1.01 0.15 -2.92 120.40 121.94 1j9l s VAL 224 Ca 0.15 1.17 -0.18 0.00 0.00 0.00 0.00 61.98 63.12 1j9l s VAL 224 Cb -0.11 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1j9l s VAL 224 CO 0.06 0.05 0.47 -0.55 0.00 0.00 0.00 175.10 175.13 1j9l s SER 225 N 1.41 6.59 -0.27 3.32 0.15 -0.17 -1.42 113.70 123.31 1j9l s SER 225 Ca 0.62 0.70 0.01 0.00 0.70 0.00 0.00 55.95 57.99 1j9l s SER 225 Cb -0.32 -2.28 0.07 0.00 -1.71 0.00 0.00 66.02 61.79 1j9l s SER 225 CO 0.28 -0.07 -0.01 -0.63 1.20 0.00 0.00 173.24 174.01 1j9l s ILE 226 N 1.09 1.56 -0.21 6.45 1.01 -0.91 -1.01 121.20 129.18 1j9l s ILE 226 Ca 0.24 -1.46 -0.04 0.00 0.00 0.00 0.00 60.65 59.39 1j9l s ILE 226 Cb -0.15 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 1j9l s ILE 226 CO 0.09 -0.29 -0.04 -0.89 0.00 0.00 0.00 174.94 173.81 1j9l s THR 227 N 1.34 3.47 -0.26 2.92 2.01 -0.23 -0.76 115.64 124.14 1j9l s THR 227 Ca -0.00 -0.47 -0.26 0.00 0.31 0.00 0.00 61.69 61.27 1j9l s THR 227 Cb -0.19 -2.57 0.00 0.00 0.01 0.00 0.00 72.50 69.76 1j9l s THR 227 CO -0.10 0.43 0.92 -2.16 -0.69 0.00 0.00 174.62 173.02 1j9l s PRO 228 N 1.31 4.16 0.16 4.92 0.04 -1.26 0.11 135.00 144.45 1j9l s PRO 228 Ca 0.04 1.04 0.07 0.00 0.04 0.00 0.00 61.00 62.18 1j9l s PRO 228 Cb -0.14 -3.67 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 1j9l s PRO 228 CO -0.02 -0.63 -0.14 0.96 0.04 0.00 0.00 177.00 177.22 1j9l s ILE 229 N 3.08 1.54 0.14 0.56 -4.36 -0.41 -4.95 121.20 116.80 1j9l s ILE 229 Ca 0.39 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.74 1j9l s ILE 229 Cb -0.15 -1.83 -0.03 0.00 1.25 0.00 0.00 42.46 41.70 1j9l s ILE 229 CO 0.09 -0.53 0.14 -1.38 0.24 0.00 0.00 174.94 173.50 1j9l s HIS 230 N -2.65 0.69 -0.53 1.37 -3.43 -1.26 -1.14 115.29 108.33 1j9l s HIS 230 Ca 0.17 -1.06 -0.07 0.00 -0.80 0.00 0.00 55.06 53.29 1j9l s HIS 230 Cb -0.02 -0.32 -0.20 0.00 -1.43 0.00 0.00 32.58 30.60 1j9l s HIS 230 CO 0.05 -0.59 3.40 -0.35 -2.00 0.00 0.00 174.74 175.24 1j9l n PRO 231 N -0.13 2.57 -3.85 -0.38 -0.04 -1.26 -4.79 135.00 127.12 1j9l n PRO 231 Ca -0.06 -1.42 -0.27 0.00 -0.04 0.00 0.00 63.50 61.70 1j9l n PRO 231 Cb 0.63 -2.26 -0.17 0.00 -0.04 0.00 0.00 33.50 31.67 1j9l n PRO 231 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1j9l s PHE 232 N 1.30 1.40 -2.06 0.54 0.40 -1.26 -5.02 117.98 113.28 1j9l s PHE 232 Ca 0.68 -0.85 0.19 0.00 -0.60 0.00 0.00 56.93 56.35 1j9l s PHE 232 Cb 0.28 -1.18 0.34 0.00 0.51 0.00 0.00 43.02 42.97 1j9l s PHE 232 CO -0.02 -0.55 1.28 1.28 0.70 0.00 0.00 175.22 177.90 1j9l n LEU 233 N 4.96 3.11 -4.75 -0.37 4.77 -1.26 -5.02 117.00 118.44 1j9l n LEU 233 Ca -0.11 -1.48 -0.41 0.00 -0.03 0.00 0.00 56.01 53.98 1j9l n LEU 233 Cb 0.48 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.36 1j9l n LEU 233 CO 0.15 0.67 1.24 -0.89 -1.33 0.00 0.00 177.39 177.24 1j9l s THR 234 N -1.33 2.05 -0.74 -5.08 2.01 -1.26 -4.93 115.64 106.36 1j9l s THR 234 Ca 0.32 0.04 -0.17 0.00 0.31 0.00 0.00 61.69 62.19 1j9l s THR 234 Cb 0.19 -3.03 0.14 0.00 0.01 0.00 0.00 72.50 69.81 1j9l s THR 234 CO 0.26 0.01 0.83 0.21 -0.69 0.00 0.00 174.62 175.23 1j9l s ASN 235 N 0.46 6.46 0.17 3.53 3.84 -1.26 -4.92 114.94 123.23 1j9l s ASN 235 Ca 0.63 -1.95 -0.14 0.00 0.21 0.00 0.00 52.86 51.61 1j9l s ASN 235 Cb -0.48 -2.30 0.13 0.00 -0.55 0.00 0.00 41.25 38.05 1j9l s ASN 235 CO 0.49 -0.95 1.74 -0.33 -2.79 0.00 0.00 177.10 175.26 1j9l h GLU 236 N 8.70 0.26 0.07 0.43 3.07 -1.99 -1.20 114.58 123.92 1j9l h GLU 236 Ca -0.07 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1j9l h GLU 236 Cb 1.06 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.87 1j9l h GLU 236 CO 1.00 0.18 -0.29 0.37 -1.40 0.00 0.00 179.01 178.87 1j9l h GLN 237 N 0.27 -0.46 -0.95 2.33 4.15 -2.00 -0.62 115.11 117.83 1j9l h GLN 237 Ca 0.21 0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.70 1j9l h GLN 237 Cb 0.23 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 27.97 1j9l h GLN 237 CO -0.24 -0.31 0.62 0.00 -1.93 0.00 0.00 178.83 176.97 1j9l h LEU 239 N 1.19 0.07 -0.55 0.00 6.46 -0.61 -1.30 115.31 120.57 1j9l h LEU 239 Ca 0.38 0.03 0.08 0.00 -0.12 0.00 0.00 57.88 58.25 1j9l h LEU 239 Cb 0.01 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 39.91 1j9l h LEU 239 CO -0.12 0.08 0.21 0.50 -0.62 0.00 0.00 178.44 178.48 1j9l h LYS 240 N 0.19 0.39 0.41 1.25 1.63 -0.43 -1.53 116.57 118.48 1j9l h LYS 240 Ca 0.11 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.87 1j9l h LYS 240 Cb 0.09 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1j9l h LYS 240 CO -0.13 0.26 -0.20 -0.22 -3.45 0.00 0.00 179.45 175.72 1j9l h LYS 241 N 0.40 -0.53 -0.39 1.90 3.64 -0.94 -1.96 116.57 118.70 1j9l h LYS 241 Ca 0.27 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.80 1j9l h LYS 241 Cb 0.29 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1j9l h LYS 241 CO -0.26 -0.28 0.29 -0.07 -2.27 0.00 0.00 179.45 176.86 1j9l h LEU 242 N -0.68 0.00 0.31 5.20 4.07 -1.07 -1.48 115.31 121.67 1j9l h LEU 242 Ca -0.06 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 1j9l h LEU 242 Cb 0.49 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 1j9l h LEU 242 CO 0.09 0.00 -0.15 0.03 -1.08 0.00 0.00 178.44 177.33 1j9l h ARG 243 N 0.00 -0.40 0.00 1.13 2.47 -1.03 -2.78 114.38 113.77 1j9l h ARG 243 Ca 0.18 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.93 1j9l h ARG 243 Cb 0.77 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 1j9l h ARG 243 CO -0.00 -0.12 0.00 -0.85 0.56 0.00 0.00 179.97 179.56 1j9l n GLU 244 N -5.06 0.11 -0.09 0.04 0.28 -0.76 -3.26 120.64 111.90 1j9l n GLU 244 Ca -0.08 0.22 -0.11 0.00 -0.16 0.00 0.00 57.16 57.04 1j9l n GLU 244 Cb 0.24 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.57 1j9l n GLU 244 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1j9l n VAL 245 N -1.33 1.47 0.00 3.84 0.31 -0.59 -4.90 118.33 117.13 1j9l n VAL 245 Ca 0.04 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 1j9l n VAL 245 Cb 0.08 -2.27 0.00 0.00 -0.91 0.00 0.00 33.84 30.74 1j9l n VAL 245 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1j9l n TYR 246 N -4.50 0.00 0.56 3.52 4.02 -1.05 -5.11 117.16 114.60 1j9l n TYR 246 Ca -0.18 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.75 1j9l n TYR 246 Cb 0.48 0.00 0.27 0.00 -0.02 0.00 0.00 39.34 40.06 1j9l n TYR 246 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45