#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 3.15 -0.11 0.03 1.81 -1.26 -0.69 118.95 121.88 1j9l s ARG 2 Ca 0.00 -0.80 -0.01 0.00 -1.72 0.00 0.00 55.73 53.20 1j9l s ARG 2 Cb 0.00 -4.08 -0.03 0.00 -0.45 0.00 0.00 34.95 30.39 1j9l s ARG 2 CO 0.00 -1.23 -0.05 0.42 -0.68 0.00 0.00 175.30 173.76 1j9l s ILE 3 N 2.76 3.80 -0.21 1.52 1.01 0.08 -0.92 121.20 129.23 1j9l s ILE 3 Ca 0.17 -0.42 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 1j9l s ILE 3 Cb -0.18 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1j9l s ILE 3 CO 0.13 0.56 0.06 -0.22 0.00 0.00 0.00 174.94 175.46 1j9l s LEU 4 N -0.32 3.58 -0.12 2.97 2.96 0.10 -0.87 118.68 126.96 1j9l s LEU 4 Ca 0.05 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1j9l s LEU 4 Cb -0.12 -1.92 -0.01 0.00 0.50 0.00 0.00 46.19 44.63 1j9l s LEU 4 CO 0.02 0.08 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.28 1j9l s VAL 5 N 0.95 2.74 0.26 1.68 1.01 0.55 -1.11 120.40 126.49 1j9l s VAL 5 Ca 0.03 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1j9l s VAL 5 Cb -0.14 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 1j9l s VAL 5 CO 0.03 0.53 0.25 1.07 0.00 0.00 0.00 175.10 176.98 1j9l n THR 6 N 3.58 0.00 -3.54 3.92 5.66 -0.65 -2.11 114.28 121.14 1j9l n THR 6 Ca -0.18 -1.84 -0.00 0.00 -3.05 0.00 0.00 64.05 58.97 1j9l n THR 6 Cb 0.53 0.95 0.00 0.00 -1.55 0.00 0.00 70.33 70.26 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 -1.92 -0.32 0.00 1.09 2.04 -1.26 -0.63 115.26 114.25 1j9l n ASN 7 Ca 0.05 -1.16 0.00 0.00 -0.44 0.00 0.00 54.58 53.03 1j9l n ASN 7 Cb 0.48 0.52 0.00 0.00 -2.53 0.00 0.00 39.78 38.25 1j9l n ASN 7 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1j9l n ASP 8 N -0.68 0.71 -0.76 0.53 5.75 -1.26 -4.43 116.55 116.41 1j9l n ASP 8 Ca -0.00 -0.91 0.13 0.00 -0.01 0.00 0.00 54.79 54.00 1j9l n ASP 8 Cb 0.11 0.13 0.28 0.00 -1.03 0.00 0.00 41.12 40.62 1j9l n ASP 8 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1j9l n ASP 9 N -0.13 2.37 0.00 -1.12 10.43 -1.26 -0.61 116.55 126.22 1j9l n ASP 9 Ca 0.00 -1.79 0.00 0.00 2.57 0.00 0.00 54.79 55.57 1j9l n ASP 9 Cb 0.03 -0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.99 1j9l n ASP 9 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1j9l n GLY 10 N 1.28 1.79 0.00 0.44 0.00 -1.24 -4.49 105.19 102.97 1j9l n GLY 10 Ca 0.16 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1j9l n GLY 10 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1j9l n ILE 11 N 1.76 1.79 0.41 -0.61 3.06 -0.59 -1.38 119.36 123.80 1j9l n ILE 11 Ca 0.00 0.45 0.11 0.00 -2.50 0.00 0.00 62.75 60.81 1j9l n ILE 11 Cb 0.00 -1.44 0.26 0.00 0.54 0.00 0.00 39.64 39.00 1j9l n ILE 11 CO 0.00 0.00 0.00 1.67 -2.50 0.00 0.00 176.55 175.72 1j9l n GLN 12 N -1.45 2.36 -2.72 9.51 7.27 -1.26 -4.79 117.38 126.29 1j9l n GLN 12 Ca 0.00 -2.07 -0.39 0.00 0.07 0.00 0.00 57.00 54.61 1j9l n GLN 12 Cb 0.01 -1.49 -0.06 0.00 2.41 0.00 0.00 30.24 31.11 1j9l n GLN 12 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1j9l s SER 13 N -1.39 7.44 0.37 1.69 0.15 -0.48 -4.94 113.70 116.53 1j9l s SER 13 Ca 0.38 1.94 0.07 0.00 0.70 0.00 0.00 55.95 59.04 1j9l s SER 13 Cb 0.22 -2.60 0.71 0.00 -1.71 0.00 0.00 66.02 62.64 1j9l s SER 13 CO 0.30 0.00 1.92 0.50 1.20 0.00 0.00 173.24 177.16 1j9l h LYS 14 N 3.64 0.42 -0.98 5.44 3.64 -1.92 -2.81 116.57 124.00 1j9l h LYS 14 Ca -0.46 -0.08 0.10 0.00 -1.27 0.00 0.00 60.65 58.94 1j9l h LYS 14 Cb 1.20 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.88 1j9l h LYS 14 CO 0.66 0.46 0.62 0.78 -2.27 0.00 0.00 179.45 179.70 1j9l h GLY 15 N 0.74 1.52 1.35 5.01 0.00 -1.93 -1.74 103.07 108.03 1j9l h GLY 15 Ca 0.09 -0.42 -0.27 0.00 0.00 0.00 0.00 47.33 46.73 1j9l h GLY 15 CO 0.01 0.22 -1.45 1.19 0.00 0.00 0.00 176.54 176.50 1j9l h ILE 16 N 1.01 1.18 0.21 2.60 2.10 -1.64 -1.89 117.51 121.08 1j9l h ILE 16 Ca 0.46 -2.95 -0.01 0.00 1.08 0.00 0.00 64.86 63.44 1j9l h ILE 16 Cb 0.39 2.61 0.00 0.00 -1.09 0.00 0.00 36.82 38.74 1j9l h ILE 16 CO -0.22 0.71 -0.10 0.40 -1.08 0.00 0.00 178.15 177.86 1j9l h ILE 17 N 0.01 0.86 -0.54 2.19 2.04 -1.25 0.55 117.51 121.38 1j9l h ILE 17 Ca -0.19 -0.45 0.05 0.00 1.00 0.00 0.00 64.86 65.27 1j9l h ILE 17 Cb 1.93 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 39.09 1j9l h ILE 17 CO 0.11 0.10 0.27 0.58 0.00 0.00 0.00 178.15 179.20 1j9l h VAL 18 N -0.51 0.93 -0.27 1.67 2.07 -1.49 -0.85 116.25 117.80 1j9l h VAL 18 Ca -0.03 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1j9l h VAL 18 Cb 0.38 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1j9l h VAL 18 CO 0.05 0.09 0.15 0.25 0.02 0.00 0.00 177.57 178.13 1j9l h LEU 19 N 0.51 0.34 -0.54 2.57 5.85 -1.57 -2.15 115.31 120.33 1j9l h LEU 19 Ca 0.24 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1j9l h LEU 19 Cb 0.17 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1j9l h LEU 19 CO -0.18 0.33 0.33 0.00 -0.34 0.00 0.00 178.44 178.59 1j9l h ALA 20 N 1.02 0.69 0.16 1.25 0.00 -0.39 -2.48 119.26 119.51 1j9l h ALA 20 Ca 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1j9l h ALA 20 Cb 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1j9l h ALA 20 CO -0.02 0.16 -0.08 0.93 0.00 0.00 0.00 179.25 180.25 1j9l h GLU 21 N 0.72 -0.21 -0.44 0.00 5.08 -1.03 -2.13 114.58 116.57 1j9l h GLU 21 Ca 0.19 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1j9l h GLU 21 Cb -0.03 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1j9l h GLU 21 CO -0.04 -0.11 0.27 -0.07 -1.00 0.00 0.00 179.01 178.06 1j9l h LEU 22 N -0.25 0.43 -1.70 1.33 3.38 -1.34 -2.33 115.31 114.84 1j9l h LEU 22 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1j9l h LEU 22 Cb 0.19 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1j9l h LEU 22 CO 0.04 0.31 -0.18 -0.07 0.09 0.00 0.00 178.44 178.63 1j9l h LEU 23 N 0.54 0.00 -0.07 1.67 3.38 -1.40 -2.36 115.31 117.06 1j9l h LEU 23 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1j9l h LEU 23 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1j9l h LEU 23 CO -0.07 0.18 0.00 -1.54 0.09 0.00 0.00 178.44 177.10 1j9l n SER 24 N -4.08 0.07 0.28 -0.43 3.41 -0.81 -2.14 113.62 109.93 1j9l n SER 24 Ca -0.02 0.52 0.17 0.00 -0.26 0.00 0.00 58.87 59.27 1j9l n SER 24 Cb 0.26 -0.53 0.76 0.00 -0.26 0.00 0.00 64.21 64.44 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 -1.43 -3.33 114.58 119.22 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 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1j9l h GLU 25 CO 0.00 0.05 -0.24 -0.85 -1.00 0.00 0.00 179.01 176.96 1j9l n GLU 26 N -3.21 0.00 -3.85 2.33 0.28 -1.15 -5.12 120.64 109.91 1j9l n GLU 26 Ca -0.00 -0.49 -0.10 0.00 -0.16 0.00 0.00 57.16 56.41 1j9l n GLU 26 Cb 0.27 -0.25 -0.08 0.00 1.43 0.00 0.00 31.44 32.81 1j9l n GLU 26 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 1j9l s HIS 27 N 0.00 0.10 -0.73 -1.84 3.76 -0.91 -4.41 115.29 111.26 1j9l s HIS 27 Ca 0.00 -0.41 -0.24 0.00 -0.15 0.00 0.00 55.06 54.26 1j9l s HIS 27 Cb 0.00 -0.05 0.06 0.00 1.11 0.00 0.00 32.58 33.70 1j9l s HIS 27 CO 0.00 -0.47 1.11 -2.00 -0.85 0.00 0.00 174.74 172.53 1j9l s GLU 28 N -3.08 3.20 -0.16 1.40 2.12 0.13 -4.41 118.70 117.89 1j9l s GLU 28 Ca -0.01 -0.73 -0.12 0.00 0.36 0.00 0.00 54.97 54.48 1j9l s GLU 28 Cb 0.01 -4.33 -0.05 0.00 0.26 0.00 0.00 34.13 30.02 1j9l s GLU 28 CO -0.07 -1.95 0.22 0.08 -0.54 0.00 0.00 175.26 173.00 1j9l s VAL 29 N 4.57 5.36 -0.05 3.70 1.01 -1.26 -0.74 120.40 132.97 1j9l s VAL 29 Ca 0.29 0.39 0.05 0.00 0.00 0.00 0.00 61.98 62.70 1j9l s VAL 29 Cb -0.12 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.71 1j9l s VAL 29 CO 0.09 0.44 -0.20 -0.36 0.00 0.00 0.00 175.10 175.07 1j9l s PHE 30 N 0.19 2.02 -0.21 5.22 0.40 -0.05 -3.11 117.98 122.44 1j9l s PHE 30 Ca 0.13 -0.63 0.01 0.00 -0.60 0.00 0.00 56.93 55.84 1j9l s PHE 30 Cb -0.12 -1.35 0.03 0.00 0.51 0.00 0.00 43.02 42.08 1j9l s PHE 30 CO 0.02 -0.21 -0.14 0.08 0.70 0.00 0.00 175.22 175.66 1j9l s VAL 31 N 0.04 2.35 -0.27 -0.44 1.01 0.26 -0.33 120.40 123.02 1j9l s VAL 31 Ca -0.06 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.86 1j9l s VAL 31 Cb -0.13 -2.12 0.08 0.00 0.00 0.00 0.00 36.38 34.21 1j9l s VAL 31 CO 0.03 0.35 0.01 -0.69 0.00 0.00 0.00 175.10 174.80 1j9l s VAL 32 N 1.27 1.43 0.19 2.92 1.01 -0.90 0.09 120.40 126.41 1j9l s VAL 32 Ca 0.01 -1.41 0.02 0.00 0.00 0.00 0.00 61.98 60.60 1j9l s VAL 32 Cb -0.15 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 1j9l s VAL 32 CO -0.09 -0.33 0.02 0.00 0.00 0.00 0.00 175.10 174.70 1j9l s ALA 33 N 1.40 1.40 0.68 5.51 0.00 -0.75 -4.39 121.76 125.60 1j9l s ALA 33 Ca 0.01 -1.64 -0.17 0.00 0.00 0.00 0.00 51.96 50.17 1j9l s ALA 33 Cb -0.18 0.67 0.01 0.00 0.00 0.00 0.00 23.12 23.61 1j9l s ALA 33 CO -0.11 -0.36 1.24 -2.14 0.00 0.00 0.00 175.76 174.40 1j9l s PRO 34 N -3.95 2.40 0.00 0.00 0.02 -1.26 -0.66 135.00 131.56 1j9l s PRO 34 Ca 0.27 1.90 0.24 0.00 0.02 0.00 0.00 61.00 63.42 1j9l s PRO 34 Cb 0.06 -1.85 0.67 0.00 0.02 0.00 0.00 34.50 33.41 1j9l s PRO 34 CO 0.06 -1.67 1.52 -0.40 -0.33 0.00 0.00 177.00 176.18 1j9l n ASP 35 N -2.25 2.20 -1.62 2.53 3.85 -0.42 -1.55 116.55 119.30 1j9l n ASP 35 Ca 0.14 -1.76 -0.04 0.00 -0.71 0.00 0.00 54.79 52.42 1j9l n ASP 35 Cb 0.49 -0.08 -0.01 0.00 -1.35 0.00 0.00 41.12 40.17 1j9l n ASP 35 CO 0.00 0.00 0.00 2.29 -1.01 0.00 0.00 177.20 178.48 1j9l n LYS 36 N 0.69 0.23 -2.15 0.11 2.85 -1.26 -4.89 118.16 113.73 1j9l n LYS 36 Ca 0.17 -0.86 -0.42 0.00 -1.05 0.00 0.00 58.31 56.15 1j9l n LYS 36 Cb 0.44 0.84 -0.03 0.00 -0.65 0.00 0.00 35.03 35.63 1j9l n LYS 36 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1j9l s GLU 37 N -2.24 4.22 -0.10 -1.58 2.02 -1.26 -3.70 118.70 116.07 1j9l s GLU 37 Ca 0.09 2.02 0.14 0.00 0.02 0.00 0.00 54.97 57.24 1j9l s GLU 37 Cb -0.00 -3.79 0.27 0.00 0.10 0.00 0.00 34.13 30.70 1j9l s GLU 37 CO 0.06 -0.73 1.13 0.54 0.02 0.00 0.00 175.26 176.29 1j9l n ARG 38 N 6.40 0.89 -2.42 1.61 5.12 0.22 -5.05 116.66 123.43 1j9l n ARG 38 Ca 0.15 -2.30 -0.40 0.00 -1.93 0.00 0.00 57.85 53.37 1j9l n ARG 38 Cb 0.43 -1.11 -0.04 0.00 -1.16 0.00 0.00 32.46 30.58 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 -2.41 7.15 -0.78 0.55 0.01 -1.22 -3.09 113.70 113.91 1j9l s SER 39 Ca 0.26 2.32 0.00 0.00 1.31 0.00 0.00 55.95 59.84 1j9l s SER 39 Cb 0.25 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.85 1j9l s SER 39 CO -0.02 -0.23 0.00 0.00 0.41 0.00 0.00 173.24 173.39 1j9l n ALA 40 N 1.03 -0.12 1.33 1.44 0.00 -1.22 -4.90 120.51 118.07 1j9l n ALA 40 Ca -0.01 0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.68 1j9l n ALA 40 Cb 0.45 -1.06 0.44 0.00 0.00 0.00 0.00 19.45 19.27 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 -2.91 0.00 -3.93 0.00 -2.24 -1.17 -4.89 114.28 99.14 1j9l n THR 41 Ca -0.08 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1j9l n THR 41 Cb 0.28 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 1.29 1.41 2.31 3.38 0.00 -0.57 -2.67 105.19 110.33 1j9l n GLY 42 Ca 0.14 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 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 3.51 2.74 -2.28 1.61 -0.00 -1.26 -4.43 115.22 115.11 1j9l n HIS 43 Ca 0.00 -2.65 -0.34 0.00 0.46 0.00 0.00 57.72 55.19 1j9l n HIS 43 Cb 0.00 -1.31 -0.01 0.00 -0.12 0.00 0.00 29.99 28.55 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 -1.17 5.96 0.13 0.26 1.04 -1.09 -5.00 113.70 113.83 1j9l s SER 44 Ca 0.55 1.94 0.01 0.00 0.48 0.00 0.00 55.95 58.94 1j9l s SER 44 Cb 0.43 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.96 1j9l s SER 44 CO -0.07 -1.05 -0.02 0.27 0.98 0.00 0.00 173.24 173.35 1j9l s ILE 45 N -2.12 0.58 -0.39 -1.02 -4.36 -1.26 -4.51 121.20 108.12 1j9l s ILE 45 Ca 0.67 -1.94 -0.10 0.00 -0.26 0.00 0.00 60.65 59.02 1j9l s ILE 45 Cb -0.18 -1.89 0.05 0.00 1.25 0.00 0.00 42.46 41.69 1j9l s ILE 45 CO 0.28 -0.67 0.23 -0.89 0.24 0.00 0.00 174.94 174.13 1j9l s THR 46 N -3.71 4.41 0.00 8.37 2.01 -1.26 -4.88 115.64 120.58 1j9l s THR 46 Ca 0.18 -1.10 0.00 0.00 0.31 0.00 0.00 61.69 61.08 1j9l s THR 46 Cb 0.06 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 69.01 1j9l s THR 46 CO -0.01 -0.35 0.00 2.30 -0.69 0.00 0.00 174.62 175.87 1j9l n ILE 47 N 4.96 0.00 0.26 1.82 -5.35 -1.26 -4.76 119.36 115.03 1j9l n ILE 47 Ca -0.11 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.49 1j9l n ILE 47 Cb 0.45 0.17 0.16 0.00 -1.74 0.00 0.00 39.64 38.68 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 -4.07 4.28 3.86 -2.08 -3.47 115.15 113.66 1j9l h HIS 48 Ca 0.00 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.91 1j9l h HIS 48 Cb 0.18 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.50 1j9l h HIS 48 CO 0.00 0.00 -0.62 0.14 0.86 0.00 0.00 177.93 178.31 1j9l s VAL 49 N -3.22 0.36 0.66 2.45 -7.23 -1.26 -5.15 120.40 107.01 1j9l s VAL 49 Ca 0.06 -1.99 -0.14 0.00 -1.81 0.00 0.00 61.98 58.10 1j9l s VAL 49 Cb 0.07 -2.52 -0.00 0.00 0.56 0.00 0.00 36.38 34.49 1j9l s VAL 49 CO 0.69 -0.07 1.08 -2.84 -0.31 0.00 0.00 175.10 173.66 1j9l s PRO 50 N -4.07 2.88 -0.01 4.82 0.02 -1.26 -4.98 135.00 132.40 1j9l s PRO 50 Ca 0.36 1.24 0.03 0.00 0.02 0.00 0.00 61.00 62.65 1j9l s PRO 50 Cb 0.07 -1.97 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 1j9l s PRO 50 CO 0.12 -1.17 -0.06 -0.51 -0.33 0.00 0.00 177.00 175.05 1j9l s LEU 51 N -5.02 3.21 0.09 -5.54 1.43 -1.26 -5.02 118.68 106.56 1j9l s LEU 51 Ca 0.64 -0.11 0.08 0.00 -1.03 0.00 0.00 54.13 53.71 1j9l s LEU 51 Cb -0.18 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1j9l s LEU 51 CO 0.44 0.29 -0.22 0.26 0.23 0.00 0.00 176.35 177.36 1j9l s TRP 52 N -0.98 1.86 0.09 0.29 0.52 -1.26 -5.00 118.94 114.46 1j9l s TRP 52 Ca 0.17 -0.40 0.07 0.00 0.02 0.00 0.00 56.10 55.96 1j9l s TRP 52 Cb -0.11 -1.05 -0.03 0.00 -1.15 0.00 0.00 33.47 31.13 1j9l s TRP 52 CO 0.07 0.18 -0.19 -1.64 0.02 0.00 0.00 176.95 175.39 1j9l s MET 53 N -1.68 1.08 -0.05 4.98 -1.94 -1.26 -1.50 119.30 118.93 1j9l s MET 53 Ca 0.08 -1.10 -0.01 0.00 -1.71 0.00 0.00 55.69 52.95 1j9l s MET 53 Cb -0.10 -1.28 0.03 0.00 2.01 0.00 0.00 34.83 35.49 1j9l s MET 53 CO 0.04 0.30 0.02 0.21 -0.01 0.00 0.00 175.02 175.57 1j9l s LYS 54 N -1.81 0.32 -0.06 2.03 2.20 0.30 -4.96 119.74 117.76 1j9l s LYS 54 Ca 0.05 0.17 -0.30 0.00 -0.36 0.00 0.00 55.97 55.53 1j9l s LYS 54 Cb -0.10 -0.68 -0.04 0.00 -1.51 0.00 0.00 37.83 35.50 1j9l s LYS 54 CO 0.04 -0.25 1.36 0.21 -0.36 0.00 0.00 175.35 176.35 1j9l s LYS 55 N 1.69 4.27 0.50 4.03 2.20 -1.26 -0.12 119.74 131.04 1j9l s LYS 55 Ca -0.00 1.86 0.02 0.00 -0.36 0.00 0.00 55.97 57.49 1j9l s LYS 55 Cb -0.13 -3.68 -0.02 0.00 -1.51 0.00 0.00 37.83 32.50 1j9l s LYS 55 CO -0.03 -0.63 0.01 0.14 -0.36 0.00 0.00 175.35 174.48 1j9l s VAL 56 N 2.89 1.17 -0.15 4.02 -7.23 -0.59 -4.93 120.40 115.58 1j9l s VAL 56 Ca 0.61 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 1j9l s VAL 56 Cb -0.28 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.44 1j9l s VAL 56 CO 0.23 0.00 -0.14 0.12 -0.31 0.00 0.00 175.10 175.00 1j9l s PHE 57 N -2.89 2.79 -0.02 2.82 5.36 -1.26 -4.28 117.98 120.49 1j9l s PHE 57 Ca 0.08 -0.88 -0.00 0.00 -0.96 0.00 0.00 56.93 55.17 1j9l s PHE 57 Cb 0.02 -1.87 -0.01 0.00 -0.34 0.00 0.00 43.02 40.81 1j9l s PHE 57 CO 0.04 -0.37 -0.02 -0.89 -1.46 0.00 0.00 175.22 172.52 1j9l n ILE 58 N 3.87 0.12 0.00 3.12 2.08 -1.26 -5.09 119.36 122.20 1j9l n ILE 58 Ca -0.19 -0.04 0.00 0.00 0.56 0.00 0.00 62.75 63.08 1j9l n ILE 58 Cb 0.52 -0.93 0.00 0.00 -0.75 0.00 0.00 39.64 38.48 1j9l n ILE 58 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1j9l n SER 59 N -2.76 0.00 -4.46 4.38 3.41 -1.26 -5.06 113.62 107.86 1j9l n SER 59 Ca -0.04 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.21 1j9l n SER 59 Cb 0.54 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.56 1j9l n SER 59 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1j9l n GLU 60 N -0.46 0.25 0.00 4.33 1.02 -1.26 -1.63 120.64 122.89 1j9l n GLU 60 Ca 0.00 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1j9l n GLU 60 Cb 0.00 -1.84 0.00 0.00 -0.02 0.00 0.00 31.44 29.58 1j9l n GLU 60 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1j9l n ARG 61 N -0.84 0.00 -3.59 3.49 1.74 -1.26 -4.94 116.66 111.25 1j9l n ARG 61 Ca 0.10 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.77 1j9l n ARG 61 Cb 0.50 -0.73 -0.11 0.00 -1.02 0.00 0.00 32.46 31.10 1j9l n ARG 61 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1j9l s VAL 62 N -0.77 4.47 -0.29 1.55 1.01 -0.64 -4.61 120.40 121.11 1j9l s VAL 62 Ca 0.00 -1.06 -0.29 0.00 0.00 0.00 0.00 61.98 60.63 1j9l s VAL 62 Cb 0.00 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.81 1j9l s VAL 62 CO 0.00 -0.34 1.08 -0.69 0.00 0.00 0.00 175.10 175.15 1j9l s VAL 63 N 1.51 4.53 0.07 2.92 1.01 -1.18 -4.48 120.40 124.77 1j9l s VAL 63 Ca 0.02 1.79 0.06 0.00 0.00 0.00 0.00 61.98 63.85 1j9l s VAL 63 Cb -0.21 -4.37 -0.03 0.00 0.00 0.00 0.00 36.38 31.78 1j9l s VAL 63 CO 0.05 -0.40 -0.17 0.00 0.00 0.00 0.00 175.10 174.58 1j9l s ALA 64 N 3.57 1.46 -0.01 5.51 0.00 -1.26 -0.57 121.76 130.46 1j9l s ALA 64 Ca 0.46 -1.03 -0.06 0.00 0.00 0.00 0.00 51.96 51.33 1j9l s ALA 64 Cb -0.13 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1j9l s ALA 64 CO 0.13 0.28 0.12 0.71 0.00 0.00 0.00 175.76 177.00 1j9l s TYR 65 N -1.03 0.00 0.18 0.00 1.51 0.11 -1.55 117.35 116.57 1j9l s TYR 65 Ca 0.03 -0.01 0.07 0.00 -1.01 0.00 0.00 57.07 56.15 1j9l s TYR 65 Cb -0.09 -0.03 -0.04 0.00 -0.11 0.00 0.00 41.96 41.69 1j9l s TYR 65 CO 0.02 -0.21 0.04 -1.54 -1.11 0.00 0.00 175.55 172.76 1j9l s SER 66 N -0.91 4.97 0.17 2.29 1.04 0.83 -1.81 113.70 120.29 1j9l s SER 66 Ca -0.10 -0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.01 1j9l s SER 66 Cb -0.06 -1.13 -0.05 0.00 0.10 0.00 0.00 66.02 64.89 1j9l s SER 66 CO 0.01 0.08 0.02 0.42 0.98 0.00 0.00 173.24 174.75 1j9l s THR 67 N -1.77 0.54 -2.28 2.02 -4.23 0.17 -0.54 115.64 109.55 1j9l s THR 67 Ca 0.29 -1.97 0.21 0.00 -1.18 0.00 0.00 61.69 59.04 1j9l s THR 67 Cb -0.09 -2.15 0.45 0.00 1.34 0.00 0.00 72.50 72.05 1j9l s THR 67 CO 0.20 -0.43 1.54 0.35 -0.54 0.00 0.00 174.62 175.75 1j9l n THR 68 N -0.23 0.22 -2.84 3.99 -2.24 -0.56 -1.30 114.28 111.31 1j9l n THR 68 Ca -0.06 -0.36 -0.03 0.00 -2.27 0.00 0.00 64.05 61.33 1j9l n THR 68 Cb 0.64 0.39 0.01 0.00 -2.10 0.00 0.00 70.33 69.27 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 1.14 1.66 3.94 3.38 0.00 -1.26 -4.93 105.19 109.12 1j9l n GLY 69 Ca 0.16 -2.10 -0.26 0.00 0.00 0.00 0.00 46.02 43.82 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 0.25 2.22 0.23 2.61 -4.23 -1.26 -4.55 115.64 110.90 1j9l s THR 70 Ca 0.10 -0.29 -0.07 0.00 -1.18 0.00 0.00 61.69 60.25 1j9l s THR 70 Cb -0.01 -2.92 0.19 0.00 1.34 0.00 0.00 72.50 71.10 1j9l s THR 70 CO 0.07 0.00 1.84 -0.65 -0.54 0.00 0.00 174.62 175.34 1j9l h PRO 71 N -0.74 0.86 -0.63 3.99 0.11 -1.85 0.34 132.00 134.09 1j9l h PRO 71 Ca -0.43 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1j9l h PRO 71 Cb 1.29 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1j9l h PRO 71 CO 0.53 0.57 0.26 0.00 -0.21 0.00 0.00 178.00 179.16 1j9l h ALA 72 N 1.38 1.29 -0.56 -0.75 0.00 -1.79 -1.93 119.26 116.90 1j9l h ALA 72 Ca 0.35 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1j9l h ALA 72 Cb 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1j9l h ALA 72 CO -0.17 0.53 0.18 -0.44 0.00 0.00 0.00 179.25 179.35 1j9l h ASP 73 N 0.89 0.80 -0.75 0.00 3.32 -1.37 -2.27 116.42 117.05 1j9l h ASP 73 Ca 0.21 -0.20 0.06 0.00 0.02 0.00 0.00 57.03 57.13 1j9l h ASP 73 Cb 0.15 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.43 1j9l h ASP 73 CO -0.02 0.79 0.43 0.00 -1.72 0.00 0.00 179.24 178.72 1j9l h VAL 75 N 0.78 1.27 -0.14 0.00 2.07 -1.18 0.40 116.25 119.45 1j9l h VAL 75 Ca 0.34 -1.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1j9l h VAL 75 Cb 0.21 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1j9l h VAL 75 CO -0.19 0.42 0.07 0.11 0.02 0.00 0.00 177.57 178.00 1j9l h LYS 76 N 0.70 0.20 -0.45 1.57 1.57 -0.83 -1.33 116.57 118.00 1j9l h LYS 76 Ca 0.11 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1j9l h LYS 76 Cb 0.65 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1j9l h LYS 76 CO 0.04 0.22 0.22 -0.07 -0.57 0.00 0.00 179.45 179.29 1j9l h LEU 77 N 0.12 0.58 -0.39 2.94 3.38 -0.92 -2.08 115.31 118.95 1j9l h LEU 77 Ca 0.05 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1j9l h LEU 77 Cb 0.08 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1j9l h LEU 77 CO -0.01 0.54 0.20 0.00 0.09 0.00 0.00 178.44 179.27 1j9l h ALA 78 N 1.06 0.48 -0.42 1.53 0.00 -0.78 0.53 119.26 121.67 1j9l h ALA 78 Ca 0.15 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1j9l h ALA 78 Cb 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1j9l h ALA 78 CO -0.02 -0.16 0.17 -0.92 0.00 0.00 0.00 179.25 178.33 1j9l h TYR 79 N 0.41 0.63 0.06 0.00 3.20 -1.08 0.43 116.97 120.61 1j9l h TYR 79 Ca 0.16 -0.04 -0.32 0.00 3.14 0.00 0.00 58.73 61.67 1j9l h TYR 79 Cb 0.06 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 1j9l h TYR 79 CO -0.09 0.54 -1.77 -0.91 -1.64 0.00 0.00 178.16 174.29 1j9l h ASN 80 N 0.53 0.20 -0.00 -2.11 4.21 -1.26 0.13 115.58 117.27 1j9l h ASN 80 Ca 0.14 -0.42 0.00 0.00 1.21 0.00 0.00 56.30 57.23 1j9l h ASN 80 Cb 0.18 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.31 1j9l h ASN 80 CO -0.01 1.37 -0.18 1.33 -1.29 0.00 0.00 177.43 178.64 1j9l n VAL 81 N -3.26 0.00 -0.01 2.81 0.24 0.17 -4.65 118.33 113.62 1j9l n VAL 81 Ca -0.22 -0.41 -0.01 0.00 -2.04 0.00 0.00 64.34 61.66 1j9l n VAL 81 Cb 1.05 1.08 -0.01 0.00 -1.47 0.00 0.00 33.84 34.49 1j9l n VAL 81 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1j9l n VAL 82 N -0.41 0.10 -1.03 3.34 0.31 -0.99 -4.83 118.33 114.82 1j9l n VAL 82 Ca 0.03 -0.04 0.02 0.00 -0.01 0.00 0.00 64.34 64.34 1j9l n VAL 82 Cb 0.16 -0.65 0.31 0.00 -0.91 0.00 0.00 33.84 32.75 1j9l n VAL 82 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1j9l n MET 83 N -2.60 3.70 -3.02 5.55 2.81 0.15 -4.96 117.12 118.74 1j9l n MET 83 Ca -0.03 -3.06 -0.18 0.00 -1.81 0.00 0.00 57.70 52.63 1j9l n MET 83 Cb 0.53 -2.10 -0.01 0.00 -0.71 0.00 0.00 33.22 30.93 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 -0.12 -3.29 -2.02 7.83 -0.08 -1.25 -0.60 116.55 117.02 1j9l n ASP 84 Ca 0.31 -0.13 -0.21 0.00 -1.51 0.00 0.00 54.79 53.26 1j9l n ASP 84 Cb 1.18 -2.78 -0.05 0.00 2.34 0.00 0.00 41.12 41.81 1j9l n ASP 84 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1j9l n LYS 85 N -3.30 -1.59 -3.88 -0.67 5.02 0.44 -4.94 118.16 109.25 1j9l n LYS 85 Ca -0.04 1.10 -0.30 0.00 -2.02 0.00 0.00 58.31 57.04 1j9l n LYS 85 Cb 0.55 -5.63 -0.14 0.00 -0.02 0.00 0.00 35.03 29.79 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 -4.42 1.43 -0.10 1.97 0.52 0.23 -5.07 118.95 113.50 1j9l s ARG 86 Ca 0.00 -1.96 0.00 0.00 -0.52 0.00 0.00 55.73 53.26 1j9l s ARG 86 Cb 0.00 -2.83 0.02 0.00 0.52 0.00 0.00 34.95 32.66 1j9l s ARG 86 CO 0.00 -1.04 -0.09 0.08 0.02 0.00 0.00 175.30 174.27 1j9l s VAL 87 N 0.60 1.07 -0.11 3.52 1.01 -1.26 -4.89 120.40 120.33 1j9l s VAL 87 Ca 0.14 -0.36 0.17 0.00 0.00 0.00 0.00 61.98 61.93 1j9l s VAL 87 Cb -0.22 -1.05 -0.19 0.00 0.00 0.00 0.00 36.38 34.93 1j9l s VAL 87 CO -0.07 0.36 0.65 0.47 0.00 0.00 0.00 175.10 176.51 1j9l n ASP 88 N 4.56 0.66 -3.62 3.32 8.00 -0.10 -4.86 116.55 124.52 1j9l n ASP 88 Ca -0.16 0.29 -0.15 0.00 0.71 0.00 0.00 54.79 55.48 1j9l n ASP 88 Cb 0.51 0.40 -0.07 0.00 -0.02 0.00 0.00 41.12 41.94 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 -5.68 -0.58 -0.07 0.64 2.96 -1.09 -4.31 118.68 110.55 1j9l s LEU 89 Ca -0.05 1.18 0.05 0.00 -0.22 0.00 0.00 54.13 55.09 1j9l s LEU 89 Cb 0.09 2.36 -0.00 0.00 0.50 0.00 0.00 46.19 49.13 1j9l s LEU 89 CO 0.82 -0.33 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.66 1j9l s ILE 90 N -0.06 1.95 -0.10 6.68 1.01 -0.36 -0.73 121.20 129.59 1j9l s ILE 90 Ca -0.03 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.63 1j9l s ILE 90 Cb -0.04 -1.67 0.02 0.00 0.01 0.00 0.00 42.46 40.79 1j9l s ILE 90 CO 0.03 0.54 -0.08 -0.69 0.00 0.00 0.00 174.94 174.75 1j9l s VAL 91 N 0.10 0.98 -0.25 2.92 1.01 -0.27 -0.18 120.40 124.71 1j9l s VAL 91 Ca -0.10 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 1j9l s VAL 91 Cb -0.15 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.24 1j9l s VAL 91 CO 0.06 0.35 0.01 -0.55 0.00 0.00 0.00 175.10 174.97 1j9l s SER 92 N 1.56 4.70 0.00 3.32 0.15 0.82 -1.64 113.70 122.61 1j9l s SER 92 Ca 0.02 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1j9l s SER 92 Cb -0.13 -1.80 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 1j9l s SER 92 CO -0.06 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1j9l n GLY 93 N 4.82 0.24 3.67 9.45 0.00 0.20 -0.55 105.19 123.03 1j9l n GLY 93 Ca -0.16 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 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 -2.92 4.82 0.36 1.61 1.01 -0.71 -3.97 120.40 120.60 1j9l s VAL 94 Ca 0.00 1.81 -0.26 0.00 0.00 0.00 0.00 61.98 63.53 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 -0.01 1.08 0.21 0.00 0.00 0.00 175.10 176.37 1j9l s ASN 95 N 1.15 6.89 -0.62 3.32 2.47 -0.35 -4.42 114.94 123.37 1j9l s ASN 95 Ca 0.42 2.14 -0.22 0.00 0.42 0.00 0.00 52.86 55.61 1j9l s ASN 95 Cb -0.17 -2.60 0.07 0.00 -1.45 0.00 0.00 41.25 37.10 1j9l s ASN 95 CO 0.13 -0.41 0.92 -0.60 -3.72 0.00 0.00 177.10 173.42 1j9l s ARG 96 N -2.15 3.14 0.00 0.43 3.52 -1.26 -0.92 118.95 121.71 1j9l s ARG 96 Ca 0.54 -0.77 0.00 0.00 -0.13 0.00 0.00 55.73 55.37 1j9l s ARG 96 Cb -0.26 -4.19 0.00 0.00 -1.56 0.00 0.00 34.95 28.94 1j9l s ARG 96 CO 0.33 -1.70 0.00 0.41 -0.81 0.00 0.00 175.30 173.53 1j9l n GLY 97 N 5.28 3.17 3.81 8.12 0.00 -0.37 -4.77 105.19 120.43 1j9l n GLY 97 Ca -0.03 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.87 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 -3.76 3.03 -0.36 1.61 0.04 -1.23 -4.10 135.00 130.22 1j9l s PRO 98 Ca 0.00 1.07 0.01 0.00 0.04 0.00 0.00 61.00 62.12 1j9l s PRO 98 Cb 0.00 -2.00 0.15 0.00 0.04 0.00 0.00 34.50 32.69 1j9l s PRO 98 CO 0.00 -1.04 0.25 -0.80 0.04 0.00 0.00 177.00 175.46 1j9l s ASN 99 N -3.36 2.48 0.19 6.66 -0.87 -1.26 -5.04 114.94 113.73 1j9l s ASN 99 Ca 0.60 -2.21 0.01 0.00 -1.57 0.00 0.00 52.86 49.69 1j9l s ASN 99 Cb -0.15 -0.25 -0.05 0.00 -0.02 0.00 0.00 41.25 40.79 1j9l s ASN 99 CO 0.48 -0.28 0.05 -0.04 -2.57 0.00 0.00 177.10 174.73 1j9l s MET 100 N 0.99 1.17 3.89 -0.60 -1.94 -1.26 -4.79 119.30 116.76 1j9l s MET 100 Ca 0.20 -1.59 0.00 0.00 -1.71 0.00 0.00 55.69 52.59 1j9l s MET 100 Cb -0.18 -0.13 0.00 0.00 2.01 0.00 0.00 34.83 36.53 1j9l s MET 100 CO -0.02 -0.22 0.00 0.41 -0.01 0.00 0.00 175.02 175.18 1j9l n GLY 101 N -0.28 1.03 0.19 -0.03 0.00 -1.26 -2.49 105.19 102.35 1j9l n GLY 101 Ca -0.04 -0.60 0.14 0.00 0.00 0.00 0.00 46.02 45.52 1j9l n GLY 101 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1j9l h MET 102 N 0.00 0.00 0.00 1.61 2.86 -1.27 -2.72 114.93 115.41 1j9l h MET 102 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1j9l h MET 102 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1j9l h MET 102 CO 0.00 0.00 0.00 -0.44 1.06 0.00 0.00 176.91 177.53 1j9l h ASP 103 N 0.00 0.00 0.39 1.22 3.32 -1.65 -1.98 116.42 117.72 1j9l h ASP 103 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1j9l h ASP 103 Cb 0.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1j9l h ASP 103 CO 0.00 0.00 -0.05 0.16 -1.72 0.00 0.00 179.24 177.63 1j9l h ILE 104 N 0.00 0.24 0.00 0.35 3.07 -1.60 -2.47 117.51 117.11 1j9l h ILE 104 Ca 0.00 -0.33 -0.08 0.00 1.55 0.00 0.00 64.86 66.00 1j9l h ILE 104 Cb 0.09 1.26 -0.01 0.00 -0.27 0.00 0.00 36.82 37.88 1j9l h ILE 104 CO 0.00 0.04 -0.38 -0.07 -1.05 0.00 0.00 178.15 176.69 1j9l h LEU 105 N 0.00 0.00 -2.58 0.16 4.07 -1.61 -2.89 115.31 112.45 1j9l h LEU 105 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1j9l h LEU 105 Cb 0.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1j9l h LEU 105 CO 0.01 0.38 0.00 0.00 -1.08 0.00 0.00 178.44 177.75 1j9l n HIS 106 N -3.95 0.59 -2.59 1.13 1.44 -0.95 -4.32 115.22 106.58 1j9l n HIS 106 Ca -0.02 -0.40 -0.43 0.00 -2.01 0.00 0.00 57.72 54.87 1j9l n HIS 106 Cb 0.43 -0.01 -0.02 0.00 0.12 0.00 0.00 29.99 30.51 1j9l n HIS 106 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1j9l s SER 107 N -1.10 7.09 0.21 4.39 0.15 -1.09 -1.52 113.70 121.82 1j9l s SER 107 Ca 0.34 1.53 -0.05 0.00 0.70 0.00 0.00 55.95 58.47 1j9l s SER 107 Cb 0.19 -2.54 0.16 0.00 -1.71 0.00 0.00 66.02 62.11 1j9l s SER 107 CO 0.25 -0.64 1.60 1.23 1.20 0.00 0.00 173.24 176.88 1j9l h GLY 108 N 9.09 0.81 1.00 9.45 0.00 -1.78 -1.42 103.07 120.23 1j9l h GLY 108 Ca -0.25 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.35 1j9l h GLY 108 CO 0.94 0.67 0.11 -0.84 0.00 0.00 0.00 176.54 177.42 1j9l h THR 109 N 0.64 1.04 -0.50 4.70 2.02 -1.89 -2.25 112.91 116.68 1j9l h THR 109 Ca 0.08 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 1j9l h THR 109 Cb 0.80 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 1j9l h THR 109 CO 0.07 0.04 0.02 0.58 0.37 0.00 0.00 175.52 176.60 1j9l h VAL 110 N 0.23 1.24 -0.65 3.16 2.07 -1.85 -2.83 116.25 117.62 1j9l h VAL 110 Ca 0.06 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.60 1j9l h VAL 110 Cb -0.02 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1j9l h VAL 110 CO -0.01 0.36 0.43 -1.28 0.02 0.00 0.00 177.57 177.08 1j9l h SER 111 N 0.78 0.73 -0.13 0.57 0.87 -0.81 0.20 113.55 115.75 1j9l h SER 111 Ca 0.15 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1j9l h SER 111 Cb 0.44 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1j9l h SER 111 CO 0.02 0.52 0.05 1.23 -0.53 0.00 0.00 176.83 178.12 1j9l h GLY 112 N 0.86 0.21 1.34 5.77 0.00 -1.16 -0.66 103.07 109.42 1j9l h GLY 112 Ca 0.24 -0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.36 1j9l h GLY 112 CO -0.06 0.11 -0.13 0.00 0.00 0.00 0.00 176.54 176.46 1j9l h ALA 113 N 0.90 0.96 -0.00 3.60 0.00 -1.43 -2.76 119.26 120.54 1j9l h ALA 113 Ca 0.04 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1j9l h ALA 113 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1j9l h ALA 113 CO -0.00 0.61 -0.30 1.98 0.00 0.00 0.00 179.25 181.54 1j9l h MET 114 N 0.70 0.00 -0.29 0.00 -1.53 -0.35 -1.01 114.93 112.46 1j9l h MET 114 Ca 0.11 -0.00 -0.11 0.00 -3.44 0.00 0.00 59.70 56.26 1j9l h MET 114 Cb 0.62 -0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.66 1j9l h MET 114 CO 0.04 0.30 -0.29 1.49 0.14 0.00 0.00 176.91 178.59 1j9l h GLU 115 N 0.00 0.59 -0.59 0.39 4.57 -0.83 0.73 114.58 119.43 1j9l h GLU 115 Ca -0.00 -0.25 -0.09 0.00 -1.18 0.00 0.00 59.36 57.83 1j9l h GLU 115 Cb 0.53 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 1j9l h GLU 115 CO 0.04 0.82 0.01 0.78 -1.18 0.00 0.00 179.01 179.48 1j9l h GLY 116 N 1.02 1.11 1.08 1.92 0.00 -1.14 -1.37 103.07 105.68 1j9l h GLY 116 Ca 0.06 -0.80 -0.07 0.00 0.00 0.00 0.00 47.33 46.53 1j9l h GLY 116 CO 0.06 0.74 0.18 0.00 0.00 0.00 0.00 176.54 177.52 1j9l h ALA 117 N 1.05 0.96 -0.46 3.60 0.00 -0.62 0.14 119.26 123.94 1j9l h ALA 117 Ca 0.17 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1j9l h ALA 117 Cb 0.53 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1j9l h ALA 117 CO 0.03 0.67 0.21 0.52 0.00 0.00 0.00 179.25 180.67 1j9l h MET 118 N 1.08 0.64 -0.10 0.00 2.07 -0.38 0.40 114.93 118.65 1j9l h MET 118 Ca 0.23 -0.08 0.00 0.00 -2.07 0.00 0.00 59.70 57.78 1j9l h MET 118 Cb 0.37 -0.12 0.00 0.00 -1.87 0.00 0.00 31.60 29.97 1j9l h MET 118 CO 0.00 0.51 0.00 -1.33 1.07 0.00 0.00 176.91 177.16 1j9l n MET 119 N -4.38 1.43 -3.40 1.72 2.81 -0.56 -4.92 117.12 109.81 1j9l n MET 119 Ca 0.04 -0.64 -0.18 0.00 -1.81 0.00 0.00 57.70 55.10 1j9l n MET 119 Cb 0.13 -1.34 0.08 0.00 -0.71 0.00 0.00 33.22 31.38 1j9l n MET 119 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1j9l n ASN 120 N -0.13 -3.27 -4.25 7.83 5.15 0.13 -5.03 115.26 115.69 1j9l n ASN 120 Ca 0.15 -0.56 -0.32 0.00 -0.60 0.00 0.00 54.58 53.25 1j9l n ASN 120 Cb 0.22 -4.83 -0.17 0.00 -0.53 0.00 0.00 39.78 34.47 1j9l n ASN 120 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1j9l s ILE 121 N -3.33 2.10 0.04 -1.44 1.01 0.38 -4.82 121.20 115.15 1j9l s ILE 121 Ca 0.17 -1.03 -0.36 0.00 0.00 0.00 0.00 60.65 59.43 1j9l s ILE 121 Cb -0.07 -1.78 -0.15 0.00 0.01 0.00 0.00 42.46 40.46 1j9l s ILE 121 CO 0.69 0.56 1.52 -2.65 0.00 0.00 0.00 174.94 175.06 1j9l n PRO 122 N 3.20 1.53 -4.02 2.79 -0.02 -1.26 -3.94 135.00 133.28 1j9l n PRO 122 Ca -0.18 0.55 -0.11 0.00 -2.02 0.00 0.00 63.50 61.75 1j9l n PRO 122 Cb 0.52 -2.26 -0.11 0.00 -0.02 0.00 0.00 33.50 31.63 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 1.38 0.51 -0.02 2.55 0.01 -1.26 -1.23 113.70 115.64 1j9l s SER 123 Ca 0.86 -0.52 0.01 0.00 1.31 0.00 0.00 55.95 57.61 1j9l s SER 123 Cb -0.87 0.07 0.01 0.00 0.21 0.00 0.00 66.02 65.44 1j9l s SER 123 CO 0.47 -0.26 -0.02 -0.63 0.41 0.00 0.00 173.24 173.21 1j9l s ILE 124 N -1.42 0.28 -0.15 1.44 1.01 0.75 -1.07 121.20 122.04 1j9l s ILE 124 Ca -0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.43 1j9l s ILE 124 Cb -0.10 -0.29 -0.02 0.00 0.01 0.00 0.00 42.46 42.06 1j9l s ILE 124 CO -0.00 0.12 -0.09 0.00 0.00 0.00 0.00 174.94 174.96 1j9l s ALA 125 N 0.41 2.76 -0.06 9.38 0.00 0.13 -0.12 121.76 134.26 1j9l s ALA 125 Ca -0.04 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.05 1j9l s ALA 125 Cb -0.07 -1.37 0.01 0.00 0.00 0.00 0.00 23.12 21.69 1j9l s ALA 125 CO -0.01 0.17 -0.12 -1.50 0.00 0.00 0.00 175.76 174.30 1j9l s ILE 126 N 0.47 1.07 0.04 0.00 2.07 0.29 0.01 121.20 125.15 1j9l s ILE 126 Ca -0.07 -0.46 0.05 0.00 -1.41 0.00 0.00 60.65 58.76 1j9l s ILE 126 Cb -0.15 -0.97 -0.02 0.00 0.13 0.00 0.00 42.46 41.44 1j9l s ILE 126 CO 0.04 0.34 -0.14 -0.44 -1.91 0.00 0.00 174.94 172.83 1j9l s SER 127 N 0.57 1.61 -0.36 4.50 0.01 -0.05 -1.21 113.70 118.76 1j9l s SER 127 Ca -0.12 -0.45 -0.18 0.00 1.31 0.00 0.00 55.95 56.51 1j9l s SER 127 Cb -0.14 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 65.99 1j9l s SER 127 CO 0.03 0.03 0.53 -0.55 0.41 0.00 0.00 173.24 173.68 1j9l s SER 128 N -1.12 6.32 0.00 2.44 0.15 -0.10 -0.84 113.70 120.55 1j9l s SER 128 Ca 0.01 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1j9l s SER 128 Cb -0.08 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1j9l s SER 128 CO 0.01 -0.52 0.12 0.00 1.20 0.00 0.00 173.24 174.05 1j9l n ALA 129 N 5.79 1.37 -3.51 5.45 0.00 -0.10 -1.23 120.51 128.28 1j9l n ALA 129 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.11 1j9l n ALA 129 Cb 0.49 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.48 3.25 0.13 0.00 3.84 -1.26 -4.48 114.94 115.94 1j9l s ASN 130 Ca 0.00 -1.52 -0.19 0.00 0.21 0.00 0.00 52.86 51.37 1j9l s ASN 130 Cb 0.00 -0.30 -0.03 0.00 -0.55 0.00 0.00 41.25 40.36 1j9l s ASN 130 CO 0.00 -0.40 1.77 0.22 -2.79 0.00 0.00 177.10 175.90 1j9l h TYR 131 N 7.99 0.25 -0.32 0.43 3.20 -1.86 0.40 116.97 127.07 1j9l h TYR 131 Ca -0.12 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.76 1j9l h TYR 131 Cb 1.00 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 1j9l h TYR 131 CO 0.33 0.15 0.18 1.49 -1.64 0.00 0.00 178.16 178.67 1j9l h GLU 132 N 0.28 0.43 -2.42 1.82 4.81 -1.96 -3.35 114.58 114.20 1j9l h GLU 132 Ca 0.10 -0.04 -0.59 0.00 -0.13 0.00 0.00 59.36 58.69 1j9l h GLU 132 Cb 0.01 -0.09 -0.40 0.00 0.63 0.00 0.00 28.75 28.90 1j9l h GLU 132 CO -0.06 0.35 -0.79 0.43 -0.73 0.00 0.00 179.01 178.21 1j9l n SER 133 N -4.82 1.86 -4.76 1.04 7.64 -1.14 -5.11 113.62 108.33 1j9l n SER 133 Ca -0.01 -2.99 -0.32 0.00 1.01 0.00 0.00 58.87 56.56 1j9l n SER 133 Cb 0.06 -0.66 0.08 0.00 -1.01 0.00 0.00 64.21 62.68 1j9l n SER 133 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1j9l s PRO 134 N -1.39 2.39 -0.53 1.43 0.04 0.12 -4.68 135.00 132.36 1j9l s PRO 134 Ca 0.33 1.35 0.05 0.00 0.04 0.00 0.00 61.00 62.77 1j9l s PRO 134 Cb 0.08 -1.90 0.18 0.00 0.04 0.00 0.00 34.50 32.90 1j9l s PRO 134 CO -0.11 -1.57 0.44 -3.47 0.04 0.00 0.00 177.00 172.33 1j9l n ASP 135 N -3.02 1.15 0.06 6.66 4.64 -1.26 -4.99 116.55 119.78 1j9l n ASP 135 Ca 0.10 -2.78 -0.12 0.00 -1.38 0.00 0.00 54.79 50.61 1j9l n ASP 135 Cb 0.52 -0.64 -0.07 0.00 -1.04 0.00 0.00 41.12 39.89 1j9l n ASP 135 CO 0.00 0.00 0.00 -0.26 -0.82 0.00 0.00 177.20 176.12 1j9l h PHE 136 N 5.29 -0.05 -0.70 -0.67 -1.00 -1.95 -1.82 116.94 116.03 1j9l h PHE 136 Ca 0.20 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.96 1j9l h PHE 136 Cb 0.83 0.02 -0.03 0.00 3.61 0.00 0.00 35.95 40.38 1j9l h PHE 136 CO 0.46 -0.03 0.37 1.49 -1.61 0.00 0.00 178.31 178.98 1j9l h GLU 137 N -0.05 0.99 -0.82 1.51 4.81 -1.94 -0.59 114.58 118.49 1j9l h GLU 137 Ca -0.00 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1j9l h GLU 137 Cb 0.04 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 1j9l h GLU 137 CO 0.00 0.75 0.53 0.78 -0.73 0.00 0.00 179.01 180.35 1j9l h GLY 138 N 0.97 1.16 1.03 1.92 0.00 -1.96 0.27 103.07 106.46 1j9l h GLY 138 Ca 0.24 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 47.05 1j9l h GLY 138 CO -0.04 0.39 -0.14 0.00 0.00 0.00 0.00 176.54 176.75 1j9l h ALA 139 N 1.32 0.61 -0.63 3.60 0.00 -0.96 -1.57 119.26 121.63 1j9l h ALA 139 Ca 0.31 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1j9l h ALA 139 Cb -0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1j9l h ALA 139 CO -0.08 0.53 0.03 0.00 0.00 0.00 0.00 179.25 179.72 1j9l h ALA 140 N 0.85 0.85 -0.79 0.00 0.00 -0.61 -2.02 119.26 117.55 1j9l h ALA 140 Ca 0.11 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1j9l h ALA 140 Cb 0.69 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1j9l h ALA 140 CO 0.05 0.67 0.33 0.00 0.00 0.00 0.00 179.25 180.31 1j9l h ARG 141 N 1.00 1.16 -0.38 0.00 2.47 -0.34 -1.67 114.38 116.62 1j9l h ARG 141 Ca 0.18 -0.20 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1j9l h ARG 141 Cb 0.54 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.64 1j9l h ARG 141 CO 0.03 0.92 0.20 0.35 0.56 0.00 0.00 179.97 182.04 1j9l h PHE 142 N 1.14 0.52 -0.67 3.04 3.57 -0.98 -2.38 116.94 121.17 1j9l h PHE 142 Ca 0.27 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.80 1j9l h PHE 142 Cb 0.18 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 1j9l h PHE 142 CO 0.02 0.41 0.39 1.25 -2.23 0.00 0.00 178.31 178.15 1j9l h LEU 143 N 0.48 0.61 -0.11 0.59 5.85 -0.83 0.20 115.31 122.10 1j9l h LEU 143 Ca 0.13 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1j9l h LEU 143 Cb 0.06 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1j9l h LEU 143 CO -0.02 0.41 -0.03 0.40 -0.34 0.00 0.00 178.44 178.85 1j9l h ILE 144 N 0.75 0.88 -0.85 4.05 1.08 -1.02 -0.95 117.51 121.45 1j9l h ILE 144 Ca 0.29 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.73 1j9l h ILE 144 Cb 0.12 0.88 -0.04 0.00 -3.07 0.00 0.00 36.82 34.70 1j9l h ILE 144 CO -0.15 0.00 0.41 0.44 -0.69 0.00 0.00 178.15 178.16 1j9l h ASP 145 N -0.01 1.11 -0.47 1.72 3.45 -0.94 -3.00 116.42 118.28 1j9l h ASP 145 Ca 0.06 -0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.38 1j9l h ASP 145 Cb 0.09 -0.29 -0.02 0.00 -0.56 0.00 0.00 39.33 38.55 1j9l h ASP 145 CO -0.12 0.93 0.31 0.15 -1.57 0.00 0.00 179.24 178.94 1j9l h PHE 146 N 1.21 0.60 -0.49 4.55 3.57 -0.07 -2.69 116.94 123.62 1j9l h PHE 146 Ca 0.29 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.90 1j9l h PHE 146 Cb 0.12 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 1j9l h PHE 146 CO 0.01 0.39 0.34 -0.07 -2.23 0.00 0.00 178.31 176.75 1j9l h LEU 147 N 0.64 0.20 0.00 0.59 3.38 -1.04 0.16 115.31 119.24 1j9l h LEU 147 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1j9l h LEU 147 Cb -0.06 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1j9l h LEU 147 CO -0.04 0.12 0.00 0.29 0.09 0.00 0.00 178.44 178.91 1j9l n LYS 148 N -4.45 0.20 -0.02 1.13 5.02 -1.02 -3.51 118.16 115.51 1j9l n LYS 148 Ca 0.08 0.01 0.01 0.00 -2.02 0.00 0.00 58.31 56.39 1j9l n LYS 148 Cb 0.40 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.93 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 -1.40 2.16 -5.15 1.97 1.02 0.43 -5.03 120.64 114.64 1j9l n GLU 149 Ca 0.10 -1.40 -0.32 0.00 -0.02 0.00 0.00 57.16 55.52 1j9l n GLU 149 Cb 0.29 -0.94 -0.17 0.00 -0.02 0.00 0.00 31.44 30.60 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 -0.97 2.59 -0.52 -0.32 5.36 -0.35 -5.05 117.98 118.73 1j9l s PHE 150 Ca 0.03 -1.02 -0.21 0.00 -0.96 0.00 0.00 56.93 54.77 1j9l s PHE 150 Cb 0.03 -1.73 0.05 0.00 -0.34 0.00 0.00 43.02 41.03 1j9l s PHE 150 CO 0.00 -0.41 0.73 0.34 -1.46 0.00 0.00 175.22 174.42 1j9l s ASP 151 N 0.36 6.27 0.10 6.13 -1.08 -1.26 -4.93 116.67 122.27 1j9l s ASP 151 Ca -0.18 -0.69 0.13 0.00 -0.52 0.00 0.00 52.55 51.30 1j9l s ASP 151 Cb -0.18 -2.34 0.59 0.00 -1.46 0.00 0.00 42.92 39.54 1j9l s ASP 151 CO 0.08 -0.99 1.40 0.49 0.52 0.00 0.00 175.17 176.67 1j9l n PHE 152 N 6.59 0.28 0.41 -5.34 3.01 -1.26 -1.38 117.46 119.77 1j9l n PHE 152 Ca -0.03 0.13 0.13 0.00 1.01 0.00 0.00 57.45 58.68 1j9l n PHE 152 Cb 0.46 -0.70 0.49 0.00 -0.01 0.00 0.00 39.48 39.72 1j9l n PHE 152 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1j9l h SER 153 N 0.00 0.00 0.36 4.37 4.64 -2.02 -1.89 113.55 119.02 1j9l h SER 153 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j9l h SER 153 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1j9l h SER 153 CO 0.00 0.00 -0.14 0.18 -0.87 0.00 0.00 176.83 176.00 1j9l n LEU 154 N -2.46 0.54 -4.44 5.97 4.77 -0.48 -4.63 117.00 116.27 1j9l n LEU 154 Ca 0.03 -0.02 -0.44 0.00 -0.03 0.00 0.00 56.01 55.55 1j9l n LEU 154 Cb 0.31 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 1j9l n LEU 154 CO 0.24 0.10 0.40 -0.22 -1.33 0.00 0.00 177.39 176.59 1j9l s LEU 155 N -2.51 4.95 0.96 2.23 2.96 -0.71 -5.04 118.68 121.53 1j9l s LEU 155 Ca 0.27 -0.97 -0.13 0.00 -0.22 0.00 0.00 54.13 53.09 1j9l s LEU 155 Cb 0.20 -2.45 0.05 0.00 0.50 0.00 0.00 46.19 44.49 1j9l s LEU 155 CO 0.49 -0.99 0.45 0.47 -1.32 0.00 0.00 176.35 175.45 1j9l n ASP 156 N 6.38 -1.90 -4.69 3.68 10.43 -1.26 -4.86 116.55 124.34 1j9l n ASP 156 Ca -0.06 0.30 -0.38 0.00 2.57 0.00 0.00 54.79 57.22 1j9l n ASP 156 Cb 0.45 -1.22 0.05 0.00 1.84 0.00 0.00 41.12 42.25 1j9l n ASP 156 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 1j9l n PRO 157 N -1.97 1.18 -1.79 -0.24 -0.02 -1.26 -1.94 135.00 128.96 1j9l n PRO 157 Ca 0.07 0.45 -0.16 0.00 -2.02 0.00 0.00 63.50 61.84 1j9l n PRO 157 Cb 0.54 -2.39 -0.05 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.58 -0.59 -4.39 6.00 3.01 -1.26 -4.95 117.46 113.69 1j9l n PHE 158 Ca 0.14 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.30 1j9l n PHE 158 Cb 0.47 -3.01 -0.12 0.00 -0.01 0.00 0.00 39.48 36.81 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 -2.49 2.85 0.24 4.37 2.01 -0.82 -4.17 115.64 117.63 1j9l s THR 159 Ca 0.00 -1.41 0.03 0.00 0.31 0.00 0.00 61.69 60.62 1j9l s THR 159 Cb 0.00 -2.28 -0.05 0.00 0.01 0.00 0.00 72.50 70.18 1j9l s THR 159 CO 0.00 0.16 0.02 0.00 -0.69 0.00 0.00 174.62 174.11 1j9l s MET 160 N -1.96 1.37 -0.19 4.92 0.23 0.25 -4.25 119.30 119.66 1j9l s MET 160 Ca 0.17 -1.71 -0.03 0.00 -1.03 0.00 0.00 55.69 53.09 1j9l s MET 160 Cb -0.11 -0.57 -0.02 0.00 -1.53 0.00 0.00 34.83 32.61 1j9l s MET 160 CO 0.09 -0.14 -0.05 -0.51 -2.03 0.00 0.00 175.02 172.38 1j9l s LEU 161 N -3.32 2.99 -0.42 0.18 1.43 -0.23 -0.64 118.68 118.67 1j9l s LEU 161 Ca 0.30 -0.29 -0.15 0.00 -1.03 0.00 0.00 54.13 52.96 1j9l s LEU 161 Cb 0.06 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.57 1j9l s LEU 161 CO 0.10 0.07 0.32 0.21 0.23 0.00 0.00 176.35 177.27 1j9l s ASN 162 N 0.95 6.12 -0.13 2.29 3.04 0.34 -0.69 114.94 126.85 1j9l s ASN 162 Ca -0.00 -0.93 -0.02 0.00 0.04 0.00 0.00 52.86 51.94 1j9l s ASN 162 Cb -0.15 -2.17 -0.03 0.00 -1.54 0.00 0.00 41.25 37.37 1j9l s ASN 162 CO 0.01 -0.48 -0.05 -0.63 -3.04 0.00 0.00 177.10 172.91 1j9l s ILE 163 N 1.70 3.78 -0.18 -5.21 1.01 0.10 -1.46 121.20 120.94 1j9l s ILE 163 Ca 0.05 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1j9l s ILE 163 Cb -0.19 -2.63 0.03 0.00 0.01 0.00 0.00 42.46 39.68 1j9l s ILE 163 CO 0.10 0.52 -0.14 0.20 0.00 0.00 0.00 174.94 175.62 1j9l s ASN 164 N 0.11 3.07 -0.26 3.58 -0.87 -0.38 -0.87 114.94 119.32 1j9l s ASN 164 Ca -0.02 -0.69 -0.09 0.00 -1.57 0.00 0.00 52.86 50.49 1j9l s ASN 164 Cb -0.14 -1.27 -0.04 0.00 -0.02 0.00 0.00 41.25 39.78 1j9l s ASN 164 CO 0.03 -0.08 0.13 -0.69 -2.57 0.00 0.00 177.10 173.92 1j9l s VAL 165 N 1.40 4.88 0.43 1.60 1.01 -0.02 -1.09 120.40 128.61 1j9l s VAL 165 Ca 0.02 0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.77 1j9l s VAL 165 Cb -0.14 -3.30 -0.09 0.00 0.00 0.00 0.00 36.38 32.85 1j9l s VAL 165 CO -0.10 0.30 1.38 -2.16 0.00 0.00 0.00 175.10 174.53 1j9l s PRO 166 N 1.59 3.81 0.15 2.72 0.04 -1.26 -0.93 135.00 141.12 1j9l s PRO 166 Ca 0.07 2.33 -0.11 0.00 0.04 0.00 0.00 61.00 63.32 1j9l s PRO 166 Cb -0.15 -2.71 -0.02 0.00 0.04 0.00 0.00 34.50 31.66 1j9l s PRO 166 CO 0.07 -0.69 1.52 0.00 0.04 0.00 0.00 177.00 177.94 1j9l h ALA 167 N 2.48 0.62 -3.00 8.56 0.00 -1.90 -3.45 119.26 122.58 1j9l h ALA 167 Ca -0.50 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1j9l h ALA 167 Cb 1.26 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1j9l h ALA 167 CO 0.62 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.91 1j9l n GLY 168 N -0.03 -3.05 3.70 0.00 0.00 -1.26 -4.86 105.19 99.70 1j9l n GLY 168 Ca -0.01 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 4.28 -0.33 1.61 2.12 -1.26 -5.04 118.70 120.09 1j9l s GLU 169 Ca 0.00 0.40 -0.29 0.00 0.36 0.00 0.00 54.97 55.44 1j9l s GLU 169 Cb 0.00 -3.48 0.02 0.00 0.26 0.00 0.00 34.13 30.93 1j9l s GLU 169 CO 0.00 0.07 1.11 0.42 -0.54 0.00 0.00 175.26 176.32 1j9l s ILE 170 N 0.93 4.44 -0.40 -3.70 1.01 -1.26 -4.83 121.20 117.39 1j9l s ILE 170 Ca 0.24 1.65 0.23 0.00 0.00 0.00 0.00 60.65 62.78 1j9l s ILE 170 Cb -0.15 -4.40 0.18 0.00 0.01 0.00 0.00 42.46 38.10 1j9l s ILE 170 CO 0.09 -0.51 1.38 0.11 0.00 0.00 0.00 174.94 176.01 1j9l h LYS 171 N 8.30 0.00 0.00 2.79 1.57 -0.95 -3.50 116.57 124.78 1j9l h LYS 171 Ca -0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1j9l h LYS 171 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1j9l h LYS 171 CO 1.04 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.33 1j9l n GLY 172 N 1.17 -0.80 3.09 3.86 0.00 -1.25 -5.02 105.19 106.23 1j9l n GLY 172 Ca 0.03 -1.27 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 1j9l n GLY 172 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1j9l s TRP 173 N -2.93 0.71 0.01 1.61 1.48 -1.26 -0.54 118.94 118.02 1j9l s TRP 173 Ca 0.00 -0.61 0.02 0.00 -1.06 0.00 0.00 56.10 54.44 1j9l s TRP 173 Cb 0.00 -0.42 -0.01 0.00 -1.16 0.00 0.00 33.47 31.88 1j9l s TRP 173 CO 0.00 -0.11 -0.05 1.03 -4.06 0.00 0.00 176.95 173.76 1j9l s ARG 174 N -2.17 0.41 -0.26 3.25 1.81 0.04 -4.88 118.95 117.15 1j9l s ARG 174 Ca -0.05 -0.34 -0.25 0.00 -1.72 0.00 0.00 55.73 53.38 1j9l s ARG 174 Cb -0.06 -0.32 -0.00 0.00 -0.45 0.00 0.00 34.95 34.11 1j9l s ARG 174 CO -0.01 0.08 0.84 -0.06 -0.68 0.00 0.00 175.30 175.47 1j9l s PHE 175 N -0.49 3.29 0.43 -0.53 0.40 -1.26 -1.06 117.98 118.76 1j9l s PHE 175 Ca -0.02 1.10 0.06 0.00 -0.60 0.00 0.00 56.93 57.47 1j9l s PHE 175 Cb -0.04 -3.11 -0.06 0.00 0.51 0.00 0.00 43.02 40.32 1j9l s PHE 175 CO -0.00 -0.45 0.07 0.95 0.70 0.00 0.00 175.22 176.50 1j9l s THR 176 N 2.91 1.92 0.19 0.64 -4.23 -0.01 -4.90 115.64 112.16 1j9l s THR 176 Ca 0.35 -1.89 0.08 0.00 -1.18 0.00 0.00 61.69 59.05 1j9l s THR 176 Cb -0.15 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 70.84 1j9l s THR 176 CO 0.08 0.00 -0.03 0.00 -0.54 0.00 0.00 174.62 174.13 1j9l s ARG 177 N -3.82 2.29 0.32 3.99 1.70 -0.59 -4.08 118.95 118.75 1j9l s ARG 177 Ca 0.31 -1.19 -0.29 0.00 -0.47 0.00 0.00 55.73 54.10 1j9l s ARG 177 Cb 0.06 -2.28 -0.10 0.00 -0.57 0.00 0.00 34.95 32.06 1j9l s ARG 177 CO 0.17 0.44 1.40 -1.14 -1.08 0.00 0.00 175.30 175.08 1j9l s GLN 178 N -2.99 4.26 0.71 3.89 0.74 -1.26 -1.74 119.66 123.27 1j9l s GLN 178 Ca 0.27 2.34 -0.02 0.00 0.05 0.00 0.00 55.36 58.00 1j9l s GLN 178 Cb -0.09 -3.06 0.11 0.00 1.10 0.00 0.00 33.01 31.08 1j9l s GLN 178 CO 0.18 -0.35 0.98 -1.54 -0.55 0.00 0.00 175.29 174.01 1j9l s SER 179 N -0.13 4.44 -0.30 6.67 1.04 -1.26 -4.81 113.70 119.34 1j9l s SER 179 Ca 0.53 -0.24 0.11 0.00 0.48 0.00 0.00 55.95 56.83 1j9l s SER 179 Cb -0.42 -0.21 0.69 0.00 0.10 0.00 0.00 66.02 66.18 1j9l s SER 179 CO 0.52 -1.79 1.72 -2.11 0.98 0.00 0.00 173.24 172.56 1j9l n ARG 180 N -2.82 3.35 -1.70 4.02 1.85 -1.26 -3.88 116.66 116.22 1j9l n ARG 180 Ca 0.14 -3.07 -0.44 0.00 -1.00 0.00 0.00 57.85 53.48 1j9l n ARG 180 Cb 0.60 -2.12 -0.03 0.00 -1.05 0.00 0.00 32.46 29.86 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 -0.36 2.58 -1.44 2.89 0.63 -1.26 -4.68 116.66 115.01 1j9l n ARG 181 Ca 0.38 0.93 0.00 0.00 -0.92 0.00 0.00 57.85 58.24 1j9l n ARG 181 Cb 1.29 -2.77 0.00 0.00 0.45 0.00 0.00 32.46 31.43 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 4.41 0.00 -4.23 -0.14 1.85 -1.04 -1.20 116.66 116.31 1j9l n ARG 182 Ca 0.17 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.84 1j9l n ARG 182 Cb 0.33 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.62 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 -4.85 1.09 -0.93 2.89 0.52 -1.26 -0.02 118.94 116.38 1j9l s TRP 183 Ca 0.00 -0.40 -0.14 0.00 0.02 0.00 0.00 56.10 55.58 1j9l s TRP 183 Cb 0.00 -0.63 0.21 0.00 -1.15 0.00 0.00 33.47 31.89 1j9l s TRP 183 CO 0.00 0.02 0.96 1.21 0.02 0.00 0.00 176.95 179.16 1j9l s ASN 184 N -1.36 6.86 0.73 2.95 2.47 0.41 -4.92 114.94 122.08 1j9l s ASN 184 Ca -0.02 -2.74 -0.11 0.00 0.42 0.00 0.00 52.86 50.42 1j9l s ASN 184 Cb -0.09 -2.27 0.03 0.00 -1.45 0.00 0.00 41.25 37.47 1j9l s ASN 184 CO 0.01 -0.64 1.07 -1.81 -3.72 0.00 0.00 177.10 172.01 1j9l s ASP 185 N 2.38 5.05 0.15 -4.21 1.01 -1.26 -1.96 116.67 117.84 1j9l s ASP 185 Ca 0.25 1.67 -0.25 0.00 0.71 0.00 0.00 52.55 54.93 1j9l s ASP 185 Cb -0.08 -2.48 0.06 0.00 1.01 0.00 0.00 42.92 41.43 1j9l s ASP 185 CO -0.08 -1.66 0.90 -0.72 0.21 0.00 0.00 175.17 173.82 1j9l s TYR 186 N -3.00 -0.18 0.04 4.23 -0.85 -0.73 -4.91 117.35 111.94 1j9l s TYR 186 Ca 0.59 -0.12 0.06 0.00 -0.52 0.00 0.00 57.07 57.08 1j9l s TYR 186 Cb -0.15 0.63 -0.02 0.00 0.38 0.00 0.00 41.96 42.80 1j9l s TYR 186 CO 0.55 -0.85 -0.18 -0.06 -1.52 0.00 0.00 175.55 173.50 1j9l s PHE 187 N -3.37 1.54 -0.19 -3.49 0.40 -1.26 -0.65 117.98 110.96 1j9l s PHE 187 Ca 0.11 -0.36 -0.12 0.00 -0.60 0.00 0.00 56.93 55.96 1j9l s PHE 187 Cb -0.02 -0.92 -0.05 0.00 0.51 0.00 0.00 43.02 42.55 1j9l s PHE 187 CO 0.01 0.07 0.20 -2.00 0.70 0.00 0.00 175.22 174.19 1j9l s GLU 188 N -1.16 4.21 0.01 0.44 2.12 -0.89 -4.90 118.70 118.53 1j9l s GLU 188 Ca 0.05 -0.10 -0.16 0.00 0.36 0.00 0.00 54.97 55.12 1j9l s GLU 188 Cb -0.08 -3.43 -0.06 0.00 0.26 0.00 0.00 34.13 30.82 1j9l s GLU 188 CO 0.02 0.26 0.46 -2.00 -0.54 0.00 0.00 175.26 173.45 1j9l s GLU 189 N 0.45 4.02 0.19 4.30 2.12 -1.26 -2.15 118.70 126.36 1j9l s GLU 189 Ca 0.11 0.50 -0.02 0.00 0.36 0.00 0.00 54.97 55.92 1j9l s GLU 189 Cb -0.12 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.00 1j9l s GLU 189 CO 0.01 0.65 0.14 1.03 -0.54 0.00 0.00 175.26 176.55 1j9l s ARG 190 N -1.00 1.16 -0.06 4.30 0.52 -0.70 -4.99 118.95 118.17 1j9l s ARG 190 Ca 0.25 -1.54 0.05 0.00 -0.52 0.00 0.00 55.73 53.97 1j9l s ARG 190 Cb -0.17 0.28 -0.00 0.00 0.52 0.00 0.00 34.95 35.57 1j9l s ARG 190 CO 0.15 -0.38 -0.21 0.08 0.02 0.00 0.00 175.30 174.96 1j9l s VAL 191 N -4.12 1.79 1.04 3.52 1.01 -1.26 -0.87 120.40 121.51 1j9l s VAL 191 Ca 0.34 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 1j9l s VAL 191 Cb 0.06 -1.53 0.22 0.00 0.00 0.00 0.00 36.38 35.14 1j9l s VAL 191 CO 0.09 0.50 1.20 -0.94 0.00 0.00 0.00 175.10 175.95 1j9l s SER 192 N 0.04 2.36 0.33 3.32 1.04 0.17 -4.92 113.70 116.03 1j9l s SER 192 Ca -0.07 0.57 0.08 0.00 0.48 0.00 0.00 55.95 57.00 1j9l s SER 192 Cb -0.14 -0.81 0.57 0.00 0.10 0.00 0.00 66.02 65.75 1j9l s SER 192 CO 0.04 -3.23 1.78 -0.65 0.98 0.00 0.00 173.24 172.16 1j9l h PRO 193 N -1.97 0.25 -0.84 4.02 0.11 -2.01 -2.45 132.00 129.10 1j9l h PRO 193 Ca -0.46 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 1j9l h PRO 193 Cb 1.28 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1j9l h PRO 193 CO 0.42 0.53 0.01 1.97 -0.21 0.00 0.00 178.00 180.72 1j9l n PHE 194 N -4.12 0.87 -0.91 0.65 1.16 -1.26 -4.89 117.46 108.96 1j9l n PHE 194 Ca -0.01 -0.33 0.00 0.00 -1.87 0.00 0.00 57.45 55.23 1j9l n PHE 194 Cb 0.40 -0.28 0.00 0.00 -1.61 0.00 0.00 39.48 37.99 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 0.23 0.65 3.79 4.97 0.00 -0.92 -5.02 105.19 108.89 1j9l n GLY 195 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.32 4.13 0.47 1.61 2.12 -1.26 -4.71 118.70 120.73 1j9l s GLU 196 Ca 0.00 0.49 -0.20 0.00 0.36 0.00 0.00 54.97 55.62 1j9l s GLU 196 Cb 0.00 -3.30 -0.10 0.00 0.26 0.00 0.00 34.13 30.99 1j9l s GLU 196 CO 0.00 0.49 0.97 -1.59 -0.54 0.00 0.00 175.26 174.60 1j9l s LYS 197 N -0.48 4.06 0.10 4.30 -2.85 -1.26 0.42 119.74 124.03 1j9l s LYS 197 Ca 0.25 1.11 -0.02 0.00 -1.00 0.00 0.00 55.97 56.31 1j9l s LYS 197 Cb -0.17 -2.15 -0.03 0.00 -2.06 0.00 0.00 37.83 33.42 1j9l s LYS 197 CO 0.13 -0.18 0.05 1.52 0.10 0.00 0.00 175.35 176.98 1j9l s TYR 198 N -2.28 0.63 -0.01 1.78 -0.85 -0.05 -4.88 117.35 111.70 1j9l s TYR 198 Ca 0.62 -1.08 0.06 0.00 -0.52 0.00 0.00 57.07 56.15 1j9l s TYR 198 Cb -0.10 -0.38 -0.02 0.00 0.38 0.00 0.00 41.96 41.84 1j9l s TYR 198 CO 0.20 -0.48 -0.20 0.71 -1.52 0.00 0.00 175.55 174.26 1j9l s TYR 199 N -3.97 1.76 -0.22 -3.49 1.51 -1.26 -1.72 117.35 109.95 1j9l s TYR 199 Ca 0.15 -0.34 -0.06 0.00 -1.01 0.00 0.00 57.07 55.81 1j9l s TYR 199 Cb 0.07 -1.12 -0.03 0.00 -0.11 0.00 0.00 41.96 40.78 1j9l s TYR 199 CO -0.04 -0.01 0.04 -1.58 -1.11 0.00 0.00 175.55 172.84 1j9l s TRP 200 N -0.52 3.08 0.03 2.71 0.23 -0.91 -4.94 118.94 118.63 1j9l s TRP 200 Ca 0.07 -0.38 -0.30 0.00 -2.03 0.00 0.00 56.10 53.47 1j9l s TRP 200 Cb -0.08 -2.14 -0.05 0.00 0.03 0.00 0.00 33.47 31.23 1j9l s TRP 200 CO -0.00 -0.24 1.11 1.41 0.96 0.00 0.00 176.95 180.19 1j9l s MET 201 N 1.16 4.48 0.12 4.98 -2.45 -1.26 -2.09 119.30 124.24 1j9l s MET 201 Ca 0.04 1.63 0.02 0.00 -1.25 0.00 0.00 55.69 56.12 1j9l s MET 201 Cb -0.14 -3.40 -0.01 0.00 1.25 0.00 0.00 34.83 32.53 1j9l s MET 201 CO 0.02 -0.18 0.09 -1.33 1.05 0.00 0.00 175.02 174.67 1j9l n MET 202 N 3.94 0.32 0.00 4.11 2.81 0.17 -5.00 117.12 123.48 1j9l n MET 202 Ca 0.08 -1.17 0.00 0.00 -1.81 0.00 0.00 57.70 54.80 1j9l n MET 202 Cb 0.48 0.87 0.00 0.00 -0.71 0.00 0.00 33.22 33.86 1j9l n MET 202 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1j9l n GLY 203 N 0.16 1.88 3.35 3.03 0.00 -1.26 -1.78 105.19 110.58 1j9l n GLY 203 Ca 0.01 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 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 3.23 0.46 1.61 2.02 -0.83 -4.91 118.70 118.29 1j9l s GLU 204 Ca 0.00 -0.73 -0.23 0.00 0.02 0.00 0.00 54.97 54.03 1j9l s GLU 204 Cb 0.00 -2.54 -0.07 0.00 0.10 0.00 0.00 34.13 31.62 1j9l s GLU 204 CO 0.00 0.24 1.21 0.54 0.02 0.00 0.00 175.26 177.28 1j9l s VAL 205 N 0.25 2.88 -0.26 2.63 0.11 -1.26 -0.44 120.40 124.31 1j9l s VAL 205 Ca -0.11 0.69 0.01 0.00 -2.93 0.00 0.00 61.98 59.64 1j9l s VAL 205 Cb -0.16 -3.36 0.05 0.00 -1.53 0.00 0.00 36.38 31.38 1j9l s VAL 205 CO 0.06 0.01 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.13 1j9l s ILE 206 N -1.46 2.50 -0.49 7.04 1.01 0.98 -4.84 121.20 125.93 1j9l s ILE 206 Ca 0.63 -1.43 0.04 0.00 0.00 0.00 0.00 60.65 59.89 1j9l s ILE 206 Cb -0.32 -2.40 0.13 0.00 0.01 0.00 0.00 42.46 39.88 1j9l s ILE 206 CO 0.39 0.02 0.22 -1.61 0.00 0.00 0.00 174.94 173.96 1j9l s GLU 207 N 1.19 1.90 -0.12 2.79 2.02 -1.26 -2.49 118.70 122.73 1j9l s GLU 207 Ca -0.06 -2.48 0.15 0.00 0.02 0.00 0.00 54.97 52.60 1j9l s GLU 207 Cb -0.19 -3.31 0.36 0.00 0.10 0.00 0.00 34.13 31.09 1j9l s GLU 207 CO -0.04 -1.08 1.17 -0.40 0.02 0.00 0.00 175.26 174.93 1j9l n ASP 208 N 3.33 1.45 -4.75 -0.19 5.68 -1.26 -5.06 116.55 115.75 1j9l n ASP 208 Ca 0.05 -3.05 -0.41 0.00 -0.50 0.00 0.00 54.79 50.88 1j9l n ASP 208 Cb 0.34 -0.42 -0.03 0.00 -1.14 0.00 0.00 41.12 39.87 1j9l n ASP 208 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1j9l s ASP 209 N -2.61 6.98 0.01 -1.12 1.01 -1.26 -4.92 116.67 114.75 1j9l s ASP 209 Ca 0.32 2.41 0.18 0.00 0.71 0.00 0.00 52.55 56.16 1j9l s ASP 209 Cb 0.32 -2.62 -0.18 0.00 1.01 0.00 0.00 42.92 41.45 1j9l s ASP 209 CO -0.07 -0.43 0.65 -0.90 0.21 0.00 0.00 175.17 174.63 1j9l n ASP 210 N 1.94 0.59 -4.77 0.27 5.68 -1.26 -4.91 116.55 114.09 1j9l n ASP 210 Ca 0.03 0.26 -0.38 0.00 -0.50 0.00 0.00 54.79 54.20 1j9l n ASP 210 Cb 0.43 0.56 -0.03 0.00 -1.14 0.00 0.00 41.12 40.95 1j9l n ASP 210 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1j9l s ARG 211 N -2.94 4.10 0.23 0.11 0.52 -1.26 -4.96 118.95 114.76 1j9l s ARG 211 Ca -0.05 1.77 0.21 0.00 -0.52 0.00 0.00 55.73 57.14 1j9l s ARG 211 Cb 0.09 -2.67 0.05 0.00 0.52 0.00 0.00 34.95 32.94 1j9l s ARG 211 CO 0.83 -0.26 1.15 -0.44 0.02 0.00 0.00 175.30 176.61 1j9l h ASP 212 N 2.66 0.00 -0.39 0.23 3.32 -2.03 -3.37 116.42 116.85 1j9l h ASP 212 Ca -0.48 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.39 1j9l h ASP 212 Cb 1.23 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.68 1j9l h ASP 212 CO 0.63 0.14 0.22 -0.90 -1.72 0.00 0.00 179.24 177.61 1j9l n ASP 213 N -2.85 3.26 -4.91 6.45 5.75 -1.26 -4.71 116.55 118.27 1j9l n ASP 213 Ca -0.01 -2.62 -0.28 0.00 -0.01 0.00 0.00 54.79 51.87 1j9l n ASP 213 Cb 0.61 -0.63 -0.03 0.00 -1.03 0.00 0.00 41.12 40.04 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 -1.47 5.06 0.14 2.12 -7.23 -1.26 -1.55 120.40 116.21 1j9l s VAL 214 Ca 0.24 -0.09 -0.32 0.00 -1.81 0.00 0.00 61.98 60.00 1j9l s VAL 214 Cb 0.20 -3.75 -0.10 0.00 0.56 0.00 0.00 36.38 33.28 1j9l s VAL 214 CO 0.05 -0.34 1.55 -2.24 -0.31 0.00 0.00 175.10 173.81 1j9l h ASP 215 N 1.56 -1.88 0.02 4.85 3.04 -1.65 -2.85 116.42 119.51 1j9l h ASP 215 Ca -0.48 0.25 -0.00 0.00 -3.24 0.00 0.00 57.03 53.56 1j9l h ASP 215 Cb 1.19 0.78 -0.00 0.00 -1.04 0.00 0.00 39.33 40.26 1j9l h ASP 215 CO 0.66 -0.39 -0.02 0.10 -2.04 0.00 0.00 179.24 177.55 1j9l h TYR 216 N -0.36 0.00 -0.25 4.15 -0.00 -1.96 -2.44 116.97 116.11 1j9l h TYR 216 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.67 1j9l h TYR 216 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.30 1j9l h TYR 216 CO -0.75 0.02 -0.43 0.87 -0.00 0.00 0.00 178.16 177.86 1j9l h LYS 217 N 0.00 0.62 -0.14 0.10 1.57 -1.84 -0.28 116.57 116.61 1j9l h LYS 217 Ca -0.00 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.42 1j9l h LYS 217 Cb 0.03 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1j9l h LYS 217 CO 0.00 0.93 -0.02 0.00 -0.57 0.00 0.00 179.45 179.79 1j9l h ALA 218 N 1.02 0.19 -0.89 3.86 0.00 -1.38 -2.43 119.26 119.63 1j9l h ALA 218 Ca 0.04 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1j9l h ALA 218 Cb 0.95 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1j9l h ALA 218 CO 0.09 -0.08 0.59 0.28 0.00 0.00 0.00 179.25 180.12 1j9l h VAL 219 N -0.04 1.22 -0.13 0.00 2.07 -1.38 -0.70 116.25 117.29 1j9l h VAL 219 Ca 0.04 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1j9l h VAL 219 Cb 0.42 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1j9l h VAL 219 CO 0.01 0.22 0.09 -0.09 0.02 0.00 0.00 177.57 177.81 1j9l h ARG 220 N 1.19 0.12 -0.10 1.57 2.43 -0.90 -1.53 114.38 117.16 1j9l h ARG 220 Ca 0.33 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1j9l h ARG 220 Cb -0.12 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1j9l h ARG 220 CO -0.08 0.08 0.00 0.39 -1.51 0.00 0.00 179.97 178.85 1j9l n GLU 221 N -4.52 1.67 -0.70 0.20 -0.58 -0.50 -4.91 120.64 111.30 1j9l n GLU 221 Ca -0.01 -0.99 0.00 0.00 -0.42 0.00 0.00 57.16 55.74 1j9l n GLU 221 Cb 0.12 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 1j9l n GLU 221 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1j9l n GLY 222 N 1.13 0.76 3.46 0.62 0.00 -0.57 -4.88 105.19 105.71 1j9l n GLY 222 Ca 0.17 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 2.53 0.16 1.61 1.51 -0.39 -0.23 117.35 120.53 1j9l s TYR 223 Ca 0.00 -0.27 -0.30 0.00 -1.01 0.00 0.00 57.07 55.49 1j9l s TYR 223 Cb 0.00 -1.42 -0.07 0.00 -0.11 0.00 0.00 41.96 40.36 1j9l s TYR 223 CO 0.00 0.29 1.16 0.08 -1.11 0.00 0.00 175.55 175.97 1j9l s VAL 224 N -0.99 3.78 -0.21 0.71 1.01 0.30 -3.00 120.40 121.99 1j9l s VAL 224 Ca 0.15 1.46 -0.11 0.00 0.00 0.00 0.00 61.98 63.48 1j9l s VAL 224 Cb -0.10 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 1j9l s VAL 224 CO 0.06 0.22 0.19 -0.55 0.00 0.00 0.00 175.10 175.02 1j9l s SER 225 N 0.21 6.22 -0.29 3.32 0.15 -0.25 -0.78 113.70 122.27 1j9l s SER 225 Ca 0.53 0.24 0.01 0.00 0.70 0.00 0.00 55.95 57.42 1j9l s SER 225 Cb -0.31 -2.12 0.09 0.00 -1.71 0.00 0.00 66.02 61.97 1j9l s SER 225 CO 0.35 0.10 0.04 -0.63 1.20 0.00 0.00 173.24 174.29 1j9l s ILE 226 N 0.76 1.42 -0.22 6.45 1.01 -0.22 -1.25 121.20 129.15 1j9l s ILE 226 Ca 0.10 -1.55 -0.06 0.00 0.00 0.00 0.00 60.65 59.14 1j9l s ILE 226 Cb -0.13 -1.94 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 1j9l s ILE 226 CO 0.02 -0.46 0.03 -0.89 0.00 0.00 0.00 174.94 173.65 1j9l s THR 227 N 1.37 4.17 -0.19 2.92 2.01 -0.54 -0.83 115.64 124.56 1j9l s THR 227 Ca 0.05 -0.23 -0.27 0.00 0.31 0.00 0.00 61.69 61.55 1j9l s THR 227 Cb -0.18 -2.91 -0.01 0.00 0.01 0.00 0.00 72.50 69.42 1j9l s THR 227 CO -0.14 0.40 0.91 -2.16 -0.69 0.00 0.00 174.62 172.94 1j9l s PRO 228 N 1.14 4.28 0.17 4.92 0.04 -1.26 -0.51 135.00 143.78 1j9l s PRO 228 Ca 0.03 1.14 0.06 0.00 0.04 0.00 0.00 61.00 62.28 1j9l s PRO 228 Cb -0.14 -3.60 -0.04 0.00 0.04 0.00 0.00 34.50 30.75 1j9l s PRO 228 CO 0.02 -0.45 -0.13 0.96 0.04 0.00 0.00 177.00 177.44 1j9l s ILE 229 N 2.56 1.48 0.08 0.56 -4.36 0.19 -4.94 121.20 116.76 1j9l s ILE 229 Ca 0.40 -2.04 -0.08 0.00 -0.26 0.00 0.00 60.65 58.68 1j9l s ILE 229 Cb -0.16 -1.85 -0.00 0.00 1.25 0.00 0.00 42.46 41.69 1j9l s ILE 229 CO 0.10 -0.58 0.17 -1.38 0.24 0.00 0.00 174.94 173.49 1j9l s HIS 230 N -2.83 0.18 0.00 1.37 -3.43 -1.26 -0.59 115.29 108.72 1j9l s HIS 230 Ca 0.17 -0.60 -0.02 0.00 -0.80 0.00 0.00 55.06 53.81 1j9l s HIS 230 Cb -0.01 -0.09 -0.11 0.00 -1.43 0.00 0.00 32.58 30.95 1j9l s HIS 230 CO 0.04 -0.52 2.14 -0.35 -2.00 0.00 0.00 174.74 174.05 1j9l n PRO 231 N 0.03 1.10 -3.88 -0.38 -0.04 -1.26 -4.71 135.00 125.87 1j9l n PRO 231 Ca -0.15 -0.39 -0.29 0.00 -0.04 0.00 0.00 63.50 62.62 1j9l n PRO 231 Cb 0.62 -1.54 -0.16 0.00 -0.04 0.00 0.00 33.50 32.38 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 1.13 1.88 -2.06 0.54 0.40 -1.26 -5.02 117.98 113.58 1j9l s PHE 232 Ca 0.26 -1.35 0.21 0.00 -0.60 0.00 0.00 56.93 55.46 1j9l s PHE 232 Cb 0.13 -1.38 0.50 0.00 0.51 0.00 0.00 43.02 42.78 1j9l s PHE 232 CO 0.00 -0.69 1.43 1.28 0.70 0.00 0.00 175.22 177.94 1j9l n LEU 233 N 4.82 3.59 -4.73 -0.37 4.77 -1.26 -5.01 117.00 118.81 1j9l n LEU 233 Ca -0.11 -1.75 -0.42 0.00 -0.03 0.00 0.00 56.01 53.70 1j9l n LEU 233 Cb 0.46 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1j9l n LEU 233 CO 0.16 0.84 1.31 -0.89 -1.33 0.00 0.00 177.39 177.48 1j9l s THR 234 N -1.21 2.07 -0.73 -5.08 2.01 -1.26 -4.92 115.64 106.53 1j9l s THR 234 Ca 0.41 0.05 -0.20 0.00 0.31 0.00 0.00 61.69 62.26 1j9l s THR 234 Cb 0.23 -3.03 0.11 0.00 0.01 0.00 0.00 72.50 69.81 1j9l s THR 234 CO 0.30 0.01 0.91 0.21 -0.69 0.00 0.00 174.62 175.36 1j9l s ASN 235 N 0.84 6.34 0.16 3.53 3.84 -1.26 -4.90 114.94 123.49 1j9l s ASN 235 Ca 0.69 -1.55 -0.15 0.00 0.21 0.00 0.00 52.86 52.05 1j9l s ASN 235 Cb -0.49 -2.36 0.08 0.00 -0.55 0.00 0.00 41.25 37.94 1j9l s ASN 235 CO 0.40 -1.17 1.75 -0.33 -2.79 0.00 0.00 177.10 174.96 1j9l h GLU 236 N 9.12 0.28 -0.46 0.43 3.07 -1.99 -1.44 114.58 123.59 1j9l h GLU 236 Ca -0.14 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 58.73 1j9l h GLU 236 Cb 1.06 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.87 1j9l h GLU 236 CO 1.11 0.19 0.26 0.37 -1.40 0.00 0.00 179.01 179.53 1j9l h GLN 237 N 0.29 0.50 -0.29 2.33 4.15 -2.00 -0.75 115.11 119.35 1j9l h GLN 237 Ca 0.18 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 1j9l h GLN 237 Cb 0.16 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 1j9l h GLN 237 CO -0.19 0.33 0.12 0.00 -1.93 0.00 0.00 178.83 177.17 1j9l h LEU 239 N 0.32 0.86 -0.26 0.00 5.85 -0.92 0.36 115.31 121.52 1j9l h LEU 239 Ca 0.10 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1j9l h LEU 239 Cb 0.17 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1j9l h LEU 239 CO -0.01 0.58 0.15 0.50 -0.34 0.00 0.00 178.44 179.32 1j9l h LYS 240 N 1.01 0.36 -0.69 1.25 3.64 -0.94 -0.32 116.57 120.89 1j9l h LYS 240 Ca 0.34 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.62 1j9l h LYS 240 Cb 0.06 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1j9l h LYS 240 CO -0.13 0.32 0.19 -0.22 -2.27 0.00 0.00 179.45 177.33 1j9l h LYS 241 N 0.31 1.08 -0.74 1.90 3.64 -0.89 -1.96 116.57 119.92 1j9l h LYS 241 Ca 0.09 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.18 1j9l h LYS 241 Cb 0.06 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1j9l h LYS 241 CO -0.02 0.94 0.27 -0.07 -2.27 0.00 0.00 179.45 178.30 1j9l h LEU 242 N 1.03 1.03 -0.80 5.20 3.38 -0.61 -2.12 115.31 122.42 1j9l h LEU 242 Ca 0.22 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1j9l h LEU 242 Cb 0.33 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1j9l h LEU 242 CO -0.00 0.93 -0.23 0.03 0.09 0.00 0.00 178.44 179.26 1j9l h ARG 243 N 1.08 0.00 0.02 1.13 3.08 -0.77 -1.13 114.38 117.79 1j9l h ARG 243 Ca 0.24 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 60.02 1j9l h ARG 243 Cb 0.24 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.31 1j9l h ARG 243 CO -0.02 0.23 -1.07 0.93 -1.07 0.00 0.00 179.97 178.97 1j9l h GLU 244 N 0.00 0.66 -0.02 0.04 5.08 -0.91 -3.27 114.58 116.17 1j9l h GLU 244 Ca -0.00 -0.74 -0.24 0.00 -1.00 0.00 0.00 59.36 57.38 1j9l h GLU 244 Cb 0.88 0.22 0.02 0.00 0.50 0.00 0.00 28.75 30.36 1j9l h GLU 244 CO 0.03 1.32 -0.92 0.28 -1.00 0.00 0.00 179.01 178.72 1j9l h VAL 245 N 0.36 1.31 -2.50 3.13 2.07 -1.34 -3.34 116.25 115.94 1j9l h VAL 245 Ca -0.14 -2.18 -0.80 0.00 0.82 0.00 0.00 66.70 64.41 1j9l h VAL 245 Cb 1.73 2.38 -0.28 0.00 -1.52 0.00 0.00 31.29 33.60 1j9l h VAL 245 CO 0.21 0.67 0.84 -1.22 0.02 0.00 0.00 177.57 178.09 1j9l n TYR 246 N -3.95 2.62 -0.61 1.57 4.02 -0.43 -5.12 117.16 115.27 1j9l n TYR 246 Ca -0.11 -2.65 0.00 0.00 -0.01 0.00 0.00 57.90 55.13 1j9l n TYR 246 Cb 0.82 -1.18 0.00 0.00 -0.02 0.00 0.00 39.34 38.96 1j9l n TYR 246 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60