#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j9k s ARG 2 N 0.00 3.34 -0.08 2.12 0.52 -1.26 -1.64 118.95 121.96 1j9k s ARG 2 Ca 0.00 -0.27 -0.01 0.00 -0.52 0.00 0.00 55.73 54.93 1j9k s ARG 2 Cb 0.00 -3.94 -0.03 0.00 0.52 0.00 0.00 34.95 31.50 1j9k s ARG 2 CO 0.00 -1.01 -0.03 0.42 0.02 0.00 0.00 175.30 174.69 1j9k s ILE 3 N 2.93 4.02 -0.21 1.52 1.01 -0.19 -0.74 121.20 129.53 1j9k s ILE 3 Ca 0.25 -0.36 -0.07 0.00 0.00 0.00 0.00 60.65 60.47 1j9k s ILE 3 Cb -0.14 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 1j9k s ILE 3 CO 0.20 0.60 0.05 -0.22 0.00 0.00 0.00 174.94 175.56 1j9k s LEU 4 N -0.78 3.53 -0.10 2.97 2.96 -0.00 -0.89 118.68 126.37 1j9k s LEU 4 Ca 0.12 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 1j9k s LEU 4 Cb -0.11 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 1j9k s LEU 4 CO 0.02 0.06 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.27 1j9k s VAL 5 N 1.03 2.89 0.32 1.68 1.01 0.47 -0.82 120.40 126.98 1j9k s VAL 5 Ca 0.03 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 1j9k s VAL 5 Cb -0.14 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1j9k s VAL 5 CO 0.03 0.55 0.42 1.07 0.00 0.00 0.00 175.10 177.16 1j9k n THR 6 N 3.11 0.00 -3.67 3.92 5.66 -0.63 -1.65 114.28 121.02 1j9k n THR 6 Ca -0.18 -1.71 -0.00 0.00 -3.05 0.00 0.00 64.05 59.11 1j9k n THR 6 Cb 0.52 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 70.32 1j9k n THR 6 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1j9k n ASN 7 N -1.69 -0.39 0.00 1.09 6.94 -1.26 -0.48 115.26 119.47 1j9k n ASN 7 Ca 0.02 -1.17 0.00 0.00 -0.02 0.00 0.00 54.58 53.41 1j9k n ASN 7 Cb 0.54 0.62 0.00 0.00 -2.36 0.00 0.00 39.78 38.58 1j9k n ASN 7 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1j9k n ASP 8 N -0.62 1.11 0.02 0.53 3.85 -1.26 -4.44 116.55 115.74 1j9k n ASP 8 Ca 0.00 -1.26 0.11 0.00 -0.71 0.00 0.00 54.79 52.93 1j9k n ASP 8 Cb 0.15 0.00 0.04 0.00 -1.35 0.00 0.00 41.12 39.96 1j9k n ASP 8 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1j9k n ASP 9 N -0.13 0.63 0.00 -1.12 8.00 -1.26 0.43 116.55 123.09 1j9k n ASP 9 Ca 0.00 -0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.23 1j9k n ASP 9 Cb 0.12 0.74 0.00 0.00 -0.02 0.00 0.00 41.12 41.96 1j9k n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j9k n GLY 10 N 1.39 3.20 0.28 0.44 0.00 -1.26 -4.24 105.19 105.00 1j9k n GLY 10 Ca 0.02 -1.70 0.19 0.00 0.00 0.00 0.00 46.02 44.53 1j9k n GLY 10 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1j9k h ILE 11 N 0.00 0.00 -0.26 -0.61 2.10 -1.43 -1.16 117.51 116.15 1j9k h ILE 11 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1j9k h ILE 11 Cb 0.00 0.80 0.00 0.00 -1.09 0.00 0.00 36.82 36.53 1j9k h ILE 11 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 1j9k n GLN 12 N -2.78 2.11 -2.25 2.19 6.02 -1.26 -4.77 117.38 116.64 1j9k n GLN 12 Ca -0.02 -1.66 -0.39 0.00 -0.01 0.00 0.00 57.00 54.91 1j9k n GLN 12 Cb 0.07 -1.45 -0.02 0.00 1.02 0.00 0.00 30.24 29.86 1j9k n GLN 12 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1j9k s SER 13 N -1.56 6.69 0.35 1.08 0.15 -0.44 -4.93 113.70 115.04 1j9k s SER 13 Ca 0.35 2.46 0.04 0.00 0.70 0.00 0.00 55.95 59.50 1j9k s SER 13 Cb 0.20 -2.63 0.64 0.00 -1.71 0.00 0.00 66.02 62.52 1j9k s SER 13 CO 0.29 -0.57 1.91 0.50 1.20 0.00 0.00 173.24 176.57 1j9k h LYS 14 N 3.04 0.56 -0.50 5.44 3.64 -1.92 -2.70 116.57 124.13 1j9k h LYS 14 Ca -0.49 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 58.75 1j9k h LYS 14 Cb 1.23 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1j9k h LYS 14 CO 0.64 0.53 0.12 0.78 -2.27 0.00 0.00 179.45 179.25 1j9k h GLY 15 N 0.79 0.81 1.48 5.01 0.00 -1.92 -2.59 103.07 106.66 1j9k h GLY 15 Ca 0.13 -0.45 -0.28 0.00 0.00 0.00 0.00 47.33 46.72 1j9k h GLY 15 CO -0.00 0.42 -1.35 1.19 0.00 0.00 0.00 176.54 176.80 1j9k h ILE 16 N 0.73 1.36 0.15 2.60 2.10 -1.65 -2.34 117.51 120.47 1j9k h ILE 16 Ca 0.16 -2.97 -0.01 0.00 1.08 0.00 0.00 64.86 63.12 1j9k h ILE 16 Cb 0.27 2.86 0.00 0.00 -1.09 0.00 0.00 36.82 38.86 1j9k h ILE 16 CO -0.00 0.86 -0.07 0.40 -1.08 0.00 0.00 178.15 178.25 1j9k h ILE 17 N 0.07 0.90 -0.46 2.19 2.04 -1.42 -0.40 117.51 120.43 1j9k h ILE 17 Ca -0.17 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.48 1j9k h ILE 17 Cb 1.98 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 39.08 1j9k h ILE 17 CO 0.18 0.06 0.26 0.58 0.00 0.00 0.00 178.15 179.23 1j9k h VAL 18 N -0.32 1.02 -0.19 1.67 2.07 -1.61 -0.04 116.25 118.85 1j9k h VAL 18 Ca -0.02 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.35 1j9k h VAL 18 Cb 0.25 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1j9k h VAL 18 CO 0.03 0.09 0.02 0.25 0.02 0.00 0.00 177.57 177.99 1j9k h LEU 19 N 0.52 -0.02 -0.12 2.57 5.85 -1.51 -1.23 115.31 121.37 1j9k h LEU 19 Ca 0.19 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1j9k h LEU 19 Cb 0.05 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1j9k h LEU 19 CO -0.10 0.02 0.06 0.00 -0.34 0.00 0.00 178.44 178.07 1j9k h ALA 20 N 1.15 0.15 -0.54 1.25 0.00 -0.69 -1.51 119.26 119.06 1j9k h ALA 20 Ca 0.09 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1j9k h ALA 20 Cb 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1j9k h ALA 20 CO -0.13 -0.29 0.33 0.93 0.00 0.00 0.00 179.25 180.10 1j9k h GLU 21 N 0.06 0.64 -0.32 0.00 5.08 -0.88 0.77 114.58 119.93 1j9k h GLU 21 Ca 0.04 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1j9k h GLU 21 Cb 0.12 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1j9k h GLU 21 CO -0.00 0.42 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.15 1j9k h LEU 22 N 0.65 0.59 -0.43 1.33 4.07 -1.14 -2.80 115.31 117.58 1j9k h LEU 22 Ca 0.22 -0.19 -0.12 0.00 0.08 0.00 0.00 57.88 57.86 1j9k h LEU 22 Cb 0.02 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 1j9k h LEU 22 CO -0.09 0.80 -0.59 -0.07 -1.08 0.00 0.00 178.44 177.40 1j9k h LEU 23 N 0.53 0.00 -1.48 1.67 3.38 -0.88 -3.20 115.31 115.33 1j9k h LEU 23 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1j9k h LEU 23 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1j9k h LEU 23 CO 0.05 0.59 0.00 0.77 0.09 0.00 0.00 178.44 179.94 1j9k h SER 24 N 0.00 0.00 0.89 -0.43 4.64 -0.57 -1.20 113.55 116.88 1j9k h SER 24 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1j9k h SER 24 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1j9k h SER 24 CO 0.08 0.00 0.00 1.05 -0.87 0.00 0.00 176.83 177.09 1j9k h GLU 25 N 0.00 0.00 0.00 4.77 4.11 -1.57 -3.34 114.58 118.56 1j9k h GLU 25 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1j9k h GLU 25 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1j9k h GLU 25 CO 0.00 0.00 -0.26 0.39 0.07 0.00 0.00 179.01 179.21 1j9k n GLU 26 N -2.51 3.68 -4.52 1.06 1.02 -1.09 -5.11 120.64 113.16 1j9k n GLU 26 Ca 0.02 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.92 1j9k n GLU 26 Cb 0.27 -0.56 -0.11 0.00 -0.02 0.00 0.00 31.44 31.02 1j9k n GLU 26 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1j9k s HIS 27 N -0.59 2.15 -0.52 -0.32 3.76 -0.47 -4.67 115.29 114.63 1j9k s HIS 27 Ca 0.00 -0.87 -0.19 0.00 -0.15 0.00 0.00 55.06 53.84 1j9k s HIS 27 Cb 0.00 -1.46 0.06 0.00 1.11 0.00 0.00 32.58 32.29 1j9k s HIS 27 CO 0.00 0.15 0.65 -2.00 -0.85 0.00 0.00 174.74 172.69 1j9k s GLU 28 N -3.82 3.12 -0.19 1.40 2.12 -0.65 -4.37 118.70 116.31 1j9k s GLU 28 Ca 0.34 -0.92 -0.10 0.00 0.36 0.00 0.00 54.97 54.65 1j9k s GLU 28 Cb 0.09 -4.12 -0.05 0.00 0.26 0.00 0.00 34.13 30.31 1j9k s GLU 28 CO 0.16 -1.27 0.13 0.08 -0.54 0.00 0.00 175.26 173.82 1j9k s VAL 29 N 2.68 5.41 -0.13 3.70 1.01 -1.26 -1.02 120.40 130.79 1j9k s VAL 29 Ca 0.15 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.34 1j9k s VAL 29 Cb -0.20 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1j9k s VAL 29 CO 0.11 0.46 -0.21 -0.36 0.00 0.00 0.00 175.10 175.10 1j9k s PHE 30 N 0.21 2.66 -0.21 5.22 0.40 -0.06 -2.30 117.98 123.89 1j9k s PHE 30 Ca 0.09 -1.17 -0.04 0.00 -0.60 0.00 0.00 56.93 55.20 1j9k s PHE 30 Cb -0.11 -1.79 -0.02 0.00 0.51 0.00 0.00 43.02 41.61 1j9k s PHE 30 CO -0.01 -0.51 -0.02 0.08 0.70 0.00 0.00 175.22 175.46 1j9k s VAL 31 N 0.64 3.66 -0.27 -0.44 1.01 0.13 -0.40 120.40 124.72 1j9k s VAL 31 Ca -0.11 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 1j9k s VAL 31 Cb -0.16 -2.66 0.09 0.00 0.00 0.00 0.00 36.38 33.64 1j9k s VAL 31 CO 0.02 0.42 0.09 -0.69 0.00 0.00 0.00 175.10 174.94 1j9k s VAL 32 N 1.31 0.53 0.25 2.92 1.01 -0.66 0.25 120.40 126.01 1j9k s VAL 32 Ca 0.04 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.03 1j9k s VAL 32 Cb -0.14 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 1j9k s VAL 32 CO -0.00 -0.57 0.06 0.00 0.00 0.00 0.00 175.10 174.58 1j9k s ALA 33 N 1.81 1.80 0.68 5.51 0.00 -0.76 -4.41 121.76 126.39 1j9k s ALA 33 Ca 0.07 -1.85 -0.17 0.00 0.00 0.00 0.00 51.96 50.01 1j9k s ALA 33 Cb -0.17 0.81 0.01 0.00 0.00 0.00 0.00 23.12 23.78 1j9k s ALA 33 CO -0.24 -0.38 1.24 -2.14 0.00 0.00 0.00 175.76 174.25 1j9k s PRO 34 N -3.96 2.40 -0.02 0.00 0.02 -1.26 -1.56 135.00 130.61 1j9k s PRO 34 Ca 0.34 1.89 0.11 0.00 0.02 0.00 0.00 61.00 63.37 1j9k s PRO 34 Cb 0.07 -1.85 0.35 0.00 0.02 0.00 0.00 34.50 33.10 1j9k s PRO 34 CO 0.12 -1.67 1.26 -0.40 -0.33 0.00 0.00 177.00 175.98 1j9k n ASP 35 N -2.26 2.28 -3.42 2.53 3.85 -0.49 -1.25 116.55 117.79 1j9k n ASP 35 Ca 0.14 -2.07 -0.04 0.00 -0.71 0.00 0.00 54.79 52.11 1j9k n ASP 35 Cb 0.49 -0.31 0.01 0.00 -1.35 0.00 0.00 41.12 39.96 1j9k n ASP 35 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.20 174.60 1j9k s LYS 36 N -1.55 1.48 0.01 0.11 -2.85 -1.26 -4.92 119.74 110.75 1j9k s LYS 36 Ca 0.26 -0.91 -0.33 0.00 -1.00 0.00 0.00 55.97 53.99 1j9k s LYS 36 Cb 0.15 0.44 -0.12 0.00 -2.06 0.00 0.00 37.83 36.24 1j9k s LYS 36 CO 0.16 -0.69 1.84 -1.91 0.10 0.00 0.00 175.35 174.85 1j9k n GLU 37 N -0.59 2.37 -0.19 1.78 4.07 -1.26 -4.00 120.64 122.83 1j9k n GLU 37 Ca -0.05 0.87 0.05 0.00 -0.06 0.00 0.00 57.16 57.96 1j9k n GLU 37 Cb 0.60 -2.72 0.06 0.00 -0.06 0.00 0.00 31.44 29.32 1j9k n GLU 37 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1j9k n ARG 38 N 6.06 1.00 -2.07 5.31 5.12 0.17 -5.02 116.66 127.23 1j9k n ARG 38 Ca 0.21 -1.74 -0.40 0.00 -1.93 0.00 0.00 57.85 53.99 1j9k n ARG 38 Cb 0.32 -1.03 -0.01 0.00 -1.16 0.00 0.00 32.46 30.59 1j9k n ARG 38 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1j9k s SER 39 N -1.76 6.38 -1.07 0.55 0.01 -0.91 -2.59 113.70 114.30 1j9k s SER 39 Ca 0.15 2.65 0.00 0.00 1.31 0.00 0.00 55.95 60.06 1j9k s SER 39 Cb 0.13 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1j9k s SER 39 CO 0.01 -0.80 0.00 0.00 0.41 0.00 0.00 173.24 172.86 1j9k n ALA 40 N 0.22 -0.15 1.22 1.44 0.00 -1.24 -4.89 120.51 117.10 1j9k n ALA 40 Ca 0.03 0.16 0.13 0.00 0.00 0.00 0.00 53.44 53.77 1j9k n ALA 40 Cb 0.43 -1.26 0.41 0.00 0.00 0.00 0.00 19.45 19.03 1j9k n ALA 40 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1j9k n THR 41 N -2.69 0.00 -4.60 0.00 -2.24 -1.07 -4.89 114.28 98.79 1j9k n THR 41 Ca -0.10 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1j9k n THR 41 Cb 0.34 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1j9k n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j9k n GLY 42 N 1.36 1.69 2.18 3.38 0.00 -0.05 -3.03 105.19 110.73 1j9k n GLY 42 Ca 0.11 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 1j9k n GLY 42 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1j9k n HIS 43 N 5.01 2.70 -2.16 1.61 -0.00 -1.26 -4.33 115.22 116.80 1j9k n HIS 43 Ca 0.00 -2.63 -0.34 0.00 0.46 0.00 0.00 57.72 55.21 1j9k n HIS 43 Cb 0.00 -1.27 0.01 0.00 -0.12 0.00 0.00 29.99 28.61 1j9k n HIS 43 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 1j9k s SER 44 N -1.18 5.68 0.07 0.26 1.04 -1.17 -4.99 113.70 113.41 1j9k s SER 44 Ca 0.54 2.05 0.01 0.00 0.48 0.00 0.00 55.95 59.03 1j9k s SER 44 Cb 0.42 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.94 1j9k s SER 44 CO -0.00 -1.24 -0.05 0.27 0.98 0.00 0.00 173.24 173.19 1j9k s ILE 45 N -2.03 0.47 -0.42 -1.02 -4.36 -1.26 -4.45 121.20 108.13 1j9k s ILE 45 Ca 0.69 -1.69 -0.15 0.00 -0.26 0.00 0.00 60.65 59.25 1j9k s ILE 45 Cb -0.21 -1.36 0.03 0.00 1.25 0.00 0.00 42.46 42.18 1j9k s ILE 45 CO 0.31 -0.81 0.32 -0.89 0.24 0.00 0.00 174.94 174.10 1j9k s THR 46 N -3.22 5.25 0.00 8.37 2.01 -1.26 -4.87 115.64 121.92 1j9k s THR 46 Ca 0.05 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.30 1j9k s THR 46 Cb 0.03 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 68.57 1j9k s THR 46 CO -0.05 -0.37 0.00 2.30 -0.69 0.00 0.00 174.62 175.81 1j9k n ILE 47 N 5.17 0.00 0.11 1.82 -5.35 -1.26 -4.78 119.36 115.07 1j9k n ILE 47 Ca -0.11 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.36 1j9k n ILE 47 Cb 0.46 0.42 -0.02 0.00 -1.74 0.00 0.00 39.64 38.77 1j9k n ILE 47 CO 0.00 0.00 0.00 0.45 -1.76 0.00 0.00 176.55 175.24 1j9k h HIS 48 N 0.00 0.00 -3.72 4.28 3.86 -2.08 -3.47 115.15 114.02 1j9k h HIS 48 Ca 0.00 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.88 1j9k h HIS 48 Cb 0.04 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.36 1j9k h HIS 48 CO 0.00 0.67 -0.63 0.14 0.86 0.00 0.00 177.93 178.97 1j9k s VAL 49 N -2.89 0.65 0.80 2.45 -7.23 -1.26 -5.15 120.40 107.76 1j9k s VAL 49 Ca 0.03 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.09 1j9k s VAL 49 Cb 0.08 -2.44 0.07 0.00 0.56 0.00 0.00 36.38 34.65 1j9k s VAL 49 CO 0.77 -0.19 1.09 -2.16 -0.31 0.00 0.00 175.10 174.30 1j9k s PRO 50 N -3.98 2.07 0.08 4.82 0.04 -1.26 -4.98 135.00 131.80 1j9k s PRO 50 Ca 0.32 0.74 0.04 0.00 0.04 0.00 0.00 61.00 62.15 1j9k s PRO 50 Cb 0.07 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 1j9k s PRO 50 CO 0.10 -1.66 0.00 -0.51 0.04 0.00 0.00 177.00 174.97 1j9k s LEU 51 N -5.83 3.48 0.09 -3.56 1.43 -1.26 -5.03 118.68 107.99 1j9k s LEU 51 Ca 0.61 -0.16 0.05 0.00 -1.03 0.00 0.00 54.13 53.60 1j9k s LEU 51 Cb -0.15 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 1j9k s LEU 51 CO 0.55 0.18 -0.14 0.26 0.23 0.00 0.00 176.35 177.44 1j9k s TRP 52 N -1.29 1.25 0.13 0.29 0.52 -1.26 -5.00 118.94 113.57 1j9k s TRP 52 Ca 0.25 -0.51 0.05 0.00 0.02 0.00 0.00 56.10 55.91 1j9k s TRP 52 Cb -0.12 -0.69 -0.04 0.00 -1.15 0.00 0.00 33.47 31.48 1j9k s TRP 52 CO 0.18 0.08 -0.12 -1.64 0.02 0.00 0.00 176.95 175.47 1j9k s MET 53 N -2.12 1.01 -0.06 4.98 -1.94 -1.26 -1.35 119.30 118.55 1j9k s MET 53 Ca 0.02 -1.31 -0.02 0.00 -1.71 0.00 0.00 55.69 52.66 1j9k s MET 53 Cb -0.08 -0.73 0.04 0.00 2.01 0.00 0.00 34.83 36.08 1j9k s MET 53 CO 0.02 0.12 0.13 0.21 -0.01 0.00 0.00 175.02 175.49 1j9k s LYS 54 N -3.13 0.06 0.03 2.03 2.20 0.43 -4.95 119.74 116.41 1j9k s LYS 54 Ca 0.11 0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 55.79 1j9k s LYS 54 Cb -0.02 -0.21 -0.05 0.00 -1.51 0.00 0.00 37.83 36.05 1j9k s LYS 54 CO 0.02 -0.19 1.15 0.21 -0.36 0.00 0.00 175.35 176.18 1j9k s LYS 55 N 1.33 4.45 0.23 4.03 2.20 -1.26 -0.74 119.74 129.96 1j9k s LYS 55 Ca -0.07 1.68 0.06 0.00 -0.36 0.00 0.00 55.97 57.28 1j9k s LYS 55 Cb -0.12 -3.41 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 1j9k s LYS 55 CO -0.05 -0.25 -0.08 0.14 -0.36 0.00 0.00 175.35 174.75 1j9k s VAL 56 N 1.24 1.50 -0.13 4.02 -7.23 -0.83 -4.94 120.40 114.03 1j9k s VAL 56 Ca 0.57 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 58.56 1j9k s VAL 56 Cb -0.27 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 1j9k s VAL 56 CO 0.28 -0.47 0.06 0.12 -0.31 0.00 0.00 175.10 174.77 1j9k s PHE 57 N -3.12 3.30 0.00 2.82 5.36 -1.26 -4.07 117.98 121.01 1j9k s PHE 57 Ca 0.25 0.22 0.00 0.00 -0.96 0.00 0.00 56.93 56.44 1j9k s PHE 57 Cb 0.02 -1.94 0.00 0.00 -0.34 0.00 0.00 43.02 40.76 1j9k s PHE 57 CO 0.08 0.41 0.00 0.44 -1.46 0.00 0.00 175.22 174.69 1j9k n ILE 58 N 2.66 0.00 0.00 3.12 -5.35 -1.26 -5.09 119.36 113.44 1j9k n ILE 58 Ca -0.18 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 1j9k n ILE 58 Cb 0.53 0.73 0.00 0.00 -1.74 0.00 0.00 39.64 39.17 1j9k n ILE 58 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1j9k n SER 59 N 0.00 0.00 0.00 7.28 2.88 -1.26 -4.99 113.62 117.53 1j9k n SER 59 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 1j9k n SER 59 Cb 0.01 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 63.63 1j9k n SER 59 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1j9k n GLU 60 N -0.07 0.09 0.05 -1.46 0.00 -1.26 -1.32 120.64 116.67 1j9k n GLU 60 Ca 0.00 0.22 0.11 0.00 0.00 0.00 0.00 57.16 57.50 1j9k n GLU 60 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 29.94 1j9k n GLU 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1j9k n ARG 61 N -1.28 0.45 -4.27 3.44 5.12 -1.26 -4.95 116.66 113.91 1j9k n ARG 61 Ca 0.03 0.02 -0.20 0.00 -1.93 0.00 0.00 57.85 55.78 1j9k n ARG 61 Cb 0.05 -1.68 -0.11 0.00 -1.16 0.00 0.00 32.46 29.56 1j9k n ARG 61 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1j9k s VAL 62 N -3.30 1.49 -0.22 1.55 -7.23 -0.44 -4.64 120.40 107.62 1j9k s VAL 62 Ca 0.01 -1.73 -0.16 0.00 -1.81 0.00 0.00 61.98 58.29 1j9k s VAL 62 Cb 0.13 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 1j9k s VAL 62 CO 0.80 -0.34 0.39 -0.69 -0.31 0.00 0.00 175.10 174.96 1j9k s VAL 63 N -1.96 5.19 0.06 1.32 1.01 -0.97 -4.62 120.40 120.42 1j9k s VAL 63 Ca 0.10 0.67 0.07 0.00 0.00 0.00 0.00 61.98 62.82 1j9k s VAL 63 Cb -0.06 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1j9k s VAL 63 CO 0.04 0.22 -0.18 0.00 0.00 0.00 0.00 175.10 175.18 1j9k s ALA 64 N 1.53 1.56 -0.09 5.51 0.00 -1.26 0.17 121.76 129.20 1j9k s ALA 64 Ca 0.18 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 51.04 1j9k s ALA 64 Cb -0.15 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1j9k s ALA 64 CO 0.08 0.32 0.23 0.71 0.00 0.00 0.00 175.76 177.10 1j9k s TYR 65 N -0.91 -0.25 0.14 0.00 1.51 0.14 -1.96 117.35 116.01 1j9k s TYR 65 Ca 0.05 0.62 0.06 0.00 -1.01 0.00 0.00 57.07 56.78 1j9k s TYR 65 Cb -0.09 0.08 -0.04 0.00 -0.11 0.00 0.00 41.96 41.80 1j9k s TYR 65 CO 0.02 -0.13 0.04 -1.54 -1.11 0.00 0.00 175.55 172.83 1j9k s SER 66 N 0.19 5.09 0.08 2.29 1.04 0.08 -1.83 113.70 120.65 1j9k s SER 66 Ca -0.01 -0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.20 1j9k s SER 66 Cb -0.02 -1.21 -0.04 0.00 0.10 0.00 0.00 66.02 64.85 1j9k s SER 66 CO -0.00 0.12 -0.06 0.42 0.98 0.00 0.00 173.24 174.69 1j9k s THR 67 N -1.58 0.60 -2.04 2.02 -4.23 -0.60 -0.42 115.64 109.38 1j9k s THR 67 Ca 0.28 -1.81 0.12 0.00 -1.18 0.00 0.00 61.69 59.10 1j9k s THR 67 Cb -0.10 -1.52 0.33 0.00 1.34 0.00 0.00 72.50 72.54 1j9k s THR 67 CO 0.20 -0.83 1.42 0.35 -0.54 0.00 0.00 174.62 175.22 1j9k n THR 68 N 0.16 0.08 -3.13 3.99 -2.24 -0.46 -1.40 114.28 111.29 1j9k n THR 68 Ca -0.14 -0.10 -0.12 0.00 -2.27 0.00 0.00 64.05 61.42 1j9k n THR 68 Cb 0.60 -0.05 0.04 0.00 -2.10 0.00 0.00 70.33 68.81 1j9k n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j9k n GLY 69 N 0.77 2.08 3.92 3.38 0.00 -1.26 -4.93 105.19 109.15 1j9k n GLY 69 Ca 0.10 -2.20 -0.29 0.00 0.00 0.00 0.00 46.02 43.63 1j9k n GLY 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j9k s THR 70 N -1.25 2.04 0.22 2.61 -4.23 -1.26 -4.52 115.64 109.25 1j9k s THR 70 Ca 0.34 -0.06 -0.08 0.00 -1.18 0.00 0.00 61.69 60.71 1j9k s THR 70 Cb -0.03 -2.98 0.16 0.00 1.34 0.00 0.00 72.50 70.99 1j9k s THR 70 CO 0.22 0.00 1.80 -0.65 -0.54 0.00 0.00 174.62 175.45 1j9k h PRO 71 N -1.16 0.66 -0.43 3.99 0.11 -1.85 0.14 132.00 133.46 1j9k h PRO 71 Ca -0.45 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 1j9k h PRO 71 Cb 1.30 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1j9k h PRO 71 CO 0.55 0.44 -0.04 0.00 -0.21 0.00 0.00 178.00 178.74 1j9k h ALA 72 N 1.39 1.12 -0.62 -0.75 0.00 -1.80 -2.13 119.26 116.46 1j9k h ALA 72 Ca 0.33 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1j9k h ALA 72 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1j9k h ALA 72 CO -0.22 0.56 0.26 -0.44 0.00 0.00 0.00 179.25 179.41 1j9k h ASP 73 N 0.67 0.84 -0.99 0.00 3.32 -1.37 -2.17 116.42 116.72 1j9k h ASP 73 Ca 0.13 -0.16 0.04 0.00 0.02 0.00 0.00 57.03 57.05 1j9k h ASP 73 Cb 0.48 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.75 1j9k h ASP 73 CO 0.02 0.77 0.65 0.00 -1.72 0.00 0.00 179.24 178.97 1j9k h VAL 75 N 1.26 1.30 -0.42 0.00 2.07 -1.07 0.64 116.25 120.03 1j9k h VAL 75 Ca 0.39 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1j9k h VAL 75 Cb -0.01 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1j9k h VAL 75 CO -0.12 0.40 0.24 0.11 0.02 0.00 0.00 177.57 178.22 1j9k h LYS 76 N 0.37 0.58 -0.40 1.57 1.57 -1.00 -0.58 116.57 118.68 1j9k h LYS 76 Ca 0.06 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1j9k h LYS 76 Cb 0.68 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1j9k h LYS 76 CO 0.05 0.45 0.05 -0.07 -0.57 0.00 0.00 179.45 179.36 1j9k h LEU 77 N 0.55 0.65 0.09 2.94 3.38 -0.88 -0.83 115.31 121.21 1j9k h LEU 77 Ca 0.15 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1j9k h LEU 77 Cb 0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1j9k h LEU 77 CO -0.03 0.76 -0.08 0.00 0.09 0.00 0.00 178.44 179.18 1j9k h ALA 78 N 0.91 -0.17 0.27 1.53 0.00 -0.67 0.34 119.26 121.48 1j9k h ALA 78 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1j9k h ALA 78 Cb 0.40 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1j9k h ALA 78 CO 0.01 -0.61 -0.19 -0.92 0.00 0.00 0.00 179.25 177.55 1j9k h TYR 79 N -0.19 -0.49 0.03 0.00 3.20 -1.05 0.58 116.97 119.04 1j9k h TYR 79 Ca 0.00 -0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.64 1j9k h TYR 79 Cb 0.18 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1j9k h TYR 79 CO -0.11 -0.29 -1.10 -0.91 -1.64 0.00 0.00 178.16 174.11 1j9k h ASN 80 N -0.46 0.11 0.00 -2.11 4.21 -1.11 0.39 115.58 116.62 1j9k h ASN 80 Ca -0.02 -0.12 -0.08 0.00 1.21 0.00 0.00 56.30 57.29 1j9k h ASN 80 Cb 0.39 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.54 1j9k h ASN 80 CO 0.01 1.10 -1.31 0.52 -1.29 0.00 0.00 177.43 176.46 1j9k n VAL 81 N -3.38 0.29 -0.09 2.81 0.31 0.12 -4.60 118.33 113.79 1j9k n VAL 81 Ca -0.03 -0.19 -0.23 0.00 -0.01 0.00 0.00 64.34 63.88 1j9k n VAL 81 Cb 0.97 -0.82 -0.12 0.00 -0.91 0.00 0.00 33.84 32.96 1j9k n VAL 81 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1j9k n VAL 82 N -2.14 1.59 0.33 2.52 0.31 -0.88 -4.55 118.33 115.51 1j9k n VAL 82 Ca -0.07 -0.42 0.10 0.00 -0.01 0.00 0.00 64.34 63.94 1j9k n VAL 82 Cb 0.62 -1.76 0.26 0.00 -0.91 0.00 0.00 33.84 32.05 1j9k n VAL 82 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1j9k n MET 83 N -3.84 2.30 -3.97 5.55 2.81 0.20 -4.96 117.12 115.21 1j9k n MET 83 Ca -0.41 -2.00 -0.31 0.00 -1.81 0.00 0.00 57.70 53.17 1j9k n MET 83 Cb 0.91 -1.46 0.02 0.00 -0.71 0.00 0.00 33.22 31.98 1j9k n MET 83 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1j9k n ASP 84 N 1.15 -4.27 -1.72 7.83 4.64 -1.24 -1.17 116.55 121.76 1j9k n ASP 84 Ca 0.19 -0.83 -0.21 0.00 -1.38 0.00 0.00 54.79 52.56 1j9k n ASP 84 Cb 0.49 -3.65 -0.07 0.00 -1.04 0.00 0.00 41.12 36.85 1j9k n ASP 84 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1j9k n LYS 85 N -4.61 -1.47 -3.81 -0.67 5.02 0.14 -4.93 118.16 107.82 1j9k n LYS 85 Ca 0.03 1.18 -0.33 0.00 -2.02 0.00 0.00 58.31 57.17 1j9k n LYS 85 Cb 0.53 -5.60 -0.11 0.00 -0.02 0.00 0.00 35.03 29.83 1j9k n LYS 85 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1j9k s ARG 86 N -3.98 2.46 -0.12 1.97 0.52 -0.32 -5.04 118.95 114.44 1j9k s ARG 86 Ca 0.00 -2.81 0.00 0.00 -0.52 0.00 0.00 55.73 52.40 1j9k s ARG 86 Cb 0.00 -3.58 0.02 0.00 0.52 0.00 0.00 34.95 31.92 1j9k s ARG 86 CO 0.00 -1.18 -0.10 0.08 0.02 0.00 0.00 175.30 174.12 1j9k s VAL 87 N -0.57 1.20 -0.06 3.52 1.01 -1.26 -4.88 120.40 119.35 1j9k s VAL 87 Ca 0.20 -0.40 0.14 0.00 0.00 0.00 0.00 61.98 61.91 1j9k s VAL 87 Cb -0.18 -1.17 -0.22 0.00 0.00 0.00 0.00 36.38 34.81 1j9k s VAL 87 CO -0.06 0.39 0.65 0.47 0.00 0.00 0.00 175.10 176.56 1j9k n ASP 88 N 4.80 0.82 -3.66 3.32 8.00 0.08 -4.91 116.55 125.00 1j9k n ASP 88 Ca -0.15 0.39 -0.15 0.00 0.71 0.00 0.00 54.79 55.59 1j9k n ASP 88 Cb 0.50 0.04 -0.08 0.00 -0.02 0.00 0.00 41.12 41.56 1j9k n ASP 88 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1j9k s LEU 89 N -6.01 0.07 -0.12 0.64 2.96 -1.16 -4.34 118.68 110.72 1j9k s LEU 89 Ca -0.05 0.61 0.03 0.00 -0.22 0.00 0.00 54.13 54.50 1j9k s LEU 89 Cb 0.08 1.87 0.01 0.00 0.50 0.00 0.00 46.19 48.65 1j9k s LEU 89 CO 0.82 -0.42 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.59 1j9k s ILE 90 N -0.77 1.93 -0.12 6.68 1.01 -0.33 -0.82 121.20 128.78 1j9k s ILE 90 Ca -0.08 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.65 1j9k s ILE 90 Cb -0.03 -1.70 0.02 0.00 0.01 0.00 0.00 42.46 40.76 1j9k s ILE 90 CO 0.05 0.53 -0.12 -0.69 0.00 0.00 0.00 174.94 174.71 1j9k s VAL 91 N 0.68 1.33 -0.30 2.92 1.01 0.00 0.03 120.40 126.07 1j9k s VAL 91 Ca -0.11 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 1j9k s VAL 91 Cb -0.16 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 34.98 1j9k s VAL 91 CO 0.02 0.42 0.04 -0.55 0.00 0.00 0.00 175.10 175.02 1j9k s SER 92 N 1.44 4.94 0.00 3.32 0.15 0.12 -1.61 113.70 122.07 1j9k s SER 92 Ca 0.02 -0.95 0.00 0.00 0.70 0.00 0.00 55.95 55.72 1j9k s SER 92 Cb -0.13 -1.80 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 1j9k s SER 92 CO -0.07 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1j9k n GLY 93 N 4.76 -0.07 3.68 9.45 0.00 0.37 -0.29 105.19 123.08 1j9k n GLY 93 Ca -0.14 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 1j9k n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j9k s VAL 94 N -2.97 4.92 0.42 1.61 1.01 -0.89 -4.00 120.40 120.50 1j9k s VAL 94 Ca 0.00 1.58 -0.23 0.00 0.00 0.00 0.00 61.98 63.33 1j9k s VAL 94 Cb 0.00 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 1j9k s VAL 94 CO 0.00 0.07 1.02 0.21 0.00 0.00 0.00 175.10 176.40 1j9k s ASN 95 N 1.11 6.76 -0.62 3.32 2.47 -0.43 -4.33 114.94 123.21 1j9k s ASN 95 Ca 0.38 1.93 -0.21 0.00 0.42 0.00 0.00 52.86 55.37 1j9k s ASN 95 Cb -0.17 -2.57 0.08 0.00 -1.45 0.00 0.00 41.25 37.14 1j9k s ASN 95 CO 0.14 -0.49 0.84 -0.60 -3.72 0.00 0.00 177.10 173.27 1j9k s ARG 96 N -2.74 3.09 0.00 0.43 3.52 -1.26 -1.37 118.95 120.62 1j9k s ARG 96 Ca 0.60 -1.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.19 1j9k s ARG 96 Cb -0.18 -4.23 0.00 0.00 -1.56 0.00 0.00 34.95 28.98 1j9k s ARG 96 CO 0.23 -1.66 0.00 0.41 -0.81 0.00 0.00 175.30 173.47 1j9k n GLY 97 N 5.29 3.31 3.81 8.12 0.00 -0.50 -4.73 105.19 120.49 1j9k n GLY 97 Ca -0.06 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 1j9k n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1j9k s PRO 98 N -3.37 3.06 -0.44 1.61 0.04 -1.25 -4.03 135.00 130.62 1j9k s PRO 98 Ca 0.00 1.06 0.04 0.00 0.04 0.00 0.00 61.00 62.14 1j9k s PRO 98 Cb 0.00 -2.00 0.16 0.00 0.04 0.00 0.00 34.50 32.70 1j9k s PRO 98 CO 0.00 -1.01 0.34 -0.80 0.04 0.00 0.00 177.00 175.57 1j9k s ASN 99 N -3.38 2.10 0.18 6.66 0.01 -1.26 -5.04 114.94 114.21 1j9k s ASN 99 Ca 0.60 -3.05 0.02 0.00 -0.71 0.00 0.00 52.86 49.72 1j9k s ASN 99 Cb -0.15 -0.60 -0.05 0.00 0.41 0.00 0.00 41.25 40.86 1j9k s ASN 99 CO 0.48 -0.18 0.00 -0.04 -1.51 0.00 0.00 177.10 175.85 1j9k s MET 100 N -0.00 1.14 3.83 -0.60 -1.94 -1.26 -4.81 119.30 115.66 1j9k s MET 100 Ca 0.30 -1.55 0.00 0.00 -1.71 0.00 0.00 55.69 52.72 1j9k s MET 100 Cb -0.01 -0.29 0.00 0.00 2.01 0.00 0.00 34.83 36.53 1j9k s MET 100 CO -0.16 -0.13 0.00 0.41 -0.01 0.00 0.00 175.02 175.12 1j9k n GLY 101 N -0.26 0.73 0.01 -0.03 0.00 -1.26 -2.80 105.19 101.59 1j9k n GLY 101 Ca -0.06 -0.74 0.09 0.00 0.00 0.00 0.00 46.02 45.31 1j9k n GLY 101 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1j9k n MET 102 N 0.98 0.02 0.30 1.61 2.81 -0.03 -2.99 117.12 119.82 1j9k n MET 102 Ca 0.00 0.22 0.19 0.00 -1.81 0.00 0.00 57.70 56.30 1j9k n MET 102 Cb 0.00 -1.53 0.91 0.00 -0.71 0.00 0.00 33.22 31.89 1j9k n MET 102 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1j9k h ASP 103 N 0.00 0.00 0.65 7.83 5.19 -1.68 -2.48 116.42 125.93 1j9k h ASP 103 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1j9k h ASP 103 Cb 0.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1j9k h ASP 103 CO 0.00 0.02 0.00 0.16 -3.12 0.00 0.00 179.24 176.30 1j9k h ILE 104 N 0.00 0.00 0.00 0.35 3.07 -1.69 -2.26 117.51 116.98 1j9k h ILE 104 Ca -0.00 -0.32 -0.06 0.00 1.55 0.00 0.00 64.86 66.03 1j9k h ILE 104 Cb 0.28 1.30 -0.01 0.00 -0.27 0.00 0.00 36.82 38.11 1j9k h ILE 104 CO 0.00 0.00 -0.30 -0.07 -1.05 0.00 0.00 178.15 176.73 1j9k h LEU 105 N 0.00 0.00 -2.75 0.16 4.07 -1.71 -2.91 115.31 112.16 1j9k h LEU 105 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1j9k h LEU 105 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1j9k h LEU 105 CO 0.00 0.30 0.00 0.00 -1.08 0.00 0.00 178.44 177.66 1j9k n HIS 106 N -3.73 0.45 -2.58 1.13 1.44 -0.88 -4.31 115.22 106.73 1j9k n HIS 106 Ca -0.01 -0.46 -0.43 0.00 -2.01 0.00 0.00 57.72 54.82 1j9k n HIS 106 Cb 0.40 -0.02 -0.02 0.00 0.12 0.00 0.00 29.99 30.47 1j9k n HIS 106 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1j9k s SER 107 N -1.00 7.13 0.19 4.39 0.15 -1.04 -0.87 113.70 122.66 1j9k s SER 107 Ca 0.24 1.62 -0.02 0.00 0.70 0.00 0.00 55.95 58.49 1j9k s SER 107 Cb 0.13 -2.55 0.11 0.00 -1.71 0.00 0.00 66.02 62.00 1j9k s SER 107 CO 0.17 -0.55 1.49 1.23 1.20 0.00 0.00 173.24 176.78 1j9k h GLY 108 N 8.43 0.53 0.97 9.45 0.00 -1.79 -1.98 103.07 118.67 1j9k h GLY 108 Ca -0.30 -0.65 0.01 0.00 0.00 0.00 0.00 47.33 46.38 1j9k h GLY 108 CO 0.89 0.59 0.16 -0.84 0.00 0.00 0.00 176.54 177.33 1j9k h THR 109 N 0.36 1.04 -0.45 4.70 2.02 -1.89 -2.12 112.91 116.58 1j9k h THR 109 Ca -0.00 -0.11 -0.10 0.00 0.77 0.00 0.00 66.41 66.97 1j9k h THR 109 Cb 1.15 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1j9k h THR 109 CO 0.11 0.06 -0.11 0.58 0.37 0.00 0.00 175.52 176.53 1j9k h VAL 110 N 0.32 1.26 -0.65 3.16 2.07 -1.86 -2.98 116.25 117.58 1j9k h VAL 110 Ca 0.10 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 1j9k h VAL 110 Cb -0.02 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1j9k h VAL 110 CO -0.04 0.41 0.34 0.28 0.02 0.00 0.00 177.57 178.58 1j9k h SER 111 N 0.73 0.80 -0.03 0.57 0.02 -0.96 0.11 113.55 114.79 1j9k h SER 111 Ca 0.12 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1j9k h SER 111 Cb 0.60 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 1j9k h SER 111 CO 0.04 0.66 0.02 1.23 -1.14 0.00 0.00 176.83 177.64 1j9k h GLY 112 N 0.97 0.04 1.42 -3.77 0.00 -1.24 -0.87 103.07 99.62 1j9k h GLY 112 Ca 0.23 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 1j9k h GLY 112 CO -0.03 0.01 -0.10 0.00 0.00 0.00 0.00 176.54 176.42 1j9k h ALA 113 N 1.00 1.09 -0.35 3.60 0.00 -1.43 -2.75 119.26 120.41 1j9k h ALA 113 Ca 0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1j9k h ALA 113 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1j9k h ALA 113 CO -0.00 0.57 -0.01 1.98 0.00 0.00 0.00 179.25 181.78 1j9k h MET 114 N 0.63 0.56 -0.44 0.00 -1.53 -0.42 -0.56 114.93 113.17 1j9k h MET 114 Ca 0.11 -0.13 -0.03 0.00 -3.44 0.00 0.00 59.70 56.22 1j9k h MET 114 Cb 0.54 -0.08 -0.02 0.00 -0.55 0.00 0.00 31.60 31.49 1j9k h MET 114 CO 0.03 0.59 0.16 1.49 0.14 0.00 0.00 176.91 179.32 1j9k h GLU 115 N 0.53 0.63 -0.34 0.39 4.57 -0.86 -0.69 114.58 118.80 1j9k h GLU 115 Ca 0.11 -0.09 -0.09 0.00 -1.18 0.00 0.00 59.36 58.11 1j9k h GLU 115 Cb 0.36 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1j9k h GLU 115 CO 0.01 0.53 -0.14 0.78 -1.18 0.00 0.00 179.01 179.01 1j9k h GLY 116 N 0.79 0.76 1.03 1.92 0.00 -1.06 -3.00 103.07 103.51 1j9k h GLY 116 Ca 0.15 -0.67 0.03 0.00 0.00 0.00 0.00 47.33 46.84 1j9k h GLY 116 CO -0.01 0.61 0.60 0.00 0.00 0.00 0.00 176.54 177.73 1j9k h ALA 117 N 0.79 1.40 0.00 3.60 0.00 -0.32 -0.82 119.26 123.91 1j9k h ALA 117 Ca 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1j9k h ALA 117 Cb 0.67 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1j9k h ALA 117 CO 0.05 0.53 -0.03 0.52 0.00 0.00 0.00 179.25 180.32 1j9k h MET 118 N 1.17 0.00 -0.59 0.00 2.07 -1.02 0.09 114.93 116.64 1j9k h MET 118 Ca 0.35 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.98 1j9k h MET 118 Cb -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.69 1j9k h MET 118 CO -0.10 0.03 0.00 -1.33 1.07 0.00 0.00 176.91 176.58 1j9k n MET 119 N -3.26 2.81 -2.89 1.72 2.81 -0.44 -4.95 117.12 112.92 1j9k n MET 119 Ca -0.02 -2.46 -0.22 0.00 -1.81 0.00 0.00 57.70 53.20 1j9k n MET 119 Cb 0.17 -1.47 0.02 0.00 -0.71 0.00 0.00 33.22 31.23 1j9k n MET 119 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1j9k n ASN 120 N 1.22 -5.95 -4.65 7.83 3.02 0.02 -4.98 115.26 111.76 1j9k n ASN 120 Ca 0.20 -0.22 -0.35 0.00 -0.03 0.00 0.00 54.58 54.18 1j9k n ASN 120 Cb 0.56 -4.84 -0.09 0.00 -0.61 0.00 0.00 39.78 34.79 1j9k n ASN 120 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1j9k s ILE 121 N -3.13 4.95 -0.04 2.41 1.01 -0.47 -4.94 121.20 120.99 1j9k s ILE 121 Ca 0.24 0.03 -0.36 0.00 0.00 0.00 0.00 60.65 60.56 1j9k s ILE 121 Cb -0.11 -3.25 -0.14 0.00 0.01 0.00 0.00 42.46 38.98 1j9k s ILE 121 CO 0.29 0.45 1.71 -0.81 0.00 0.00 0.00 174.94 176.58 1j9k n PRO 122 N 3.61 1.85 -4.11 2.79 -0.04 -1.26 -3.94 135.00 133.89 1j9k n PRO 122 Ca -0.16 0.67 -0.15 0.00 -0.04 0.00 0.00 63.50 63.82 1j9k n PRO 122 Cb 0.52 -2.44 -0.12 0.00 -0.04 0.00 0.00 33.50 31.42 1j9k n PRO 122 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1j9k s SER 123 N 2.69 1.22 -0.02 3.54 0.01 -1.26 -1.18 113.70 118.70 1j9k s SER 123 Ca 0.89 -0.57 0.01 0.00 1.31 0.00 0.00 55.95 57.58 1j9k s SER 123 Cb -0.79 -0.00 0.01 0.00 0.21 0.00 0.00 66.02 65.45 1j9k s SER 123 CO 0.50 -0.14 -0.01 -0.63 0.41 0.00 0.00 173.24 173.37 1j9k s ILE 124 N -1.32 0.16 -0.17 1.44 1.01 0.10 -1.46 121.20 120.97 1j9k s ILE 124 Ca -0.06 0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.56 1j9k s ILE 124 Cb -0.10 -0.21 -0.02 0.00 0.01 0.00 0.00 42.46 42.14 1j9k s ILE 124 CO 0.01 0.10 -0.03 0.00 0.00 0.00 0.00 174.94 175.02 1j9k s ALA 125 N 0.56 2.97 -0.06 9.38 0.00 -0.43 0.15 121.76 134.33 1j9k s ALA 125 Ca -0.05 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.04 1j9k s ALA 125 Cb -0.08 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.44 1j9k s ALA 125 CO -0.01 0.07 -0.13 -1.50 0.00 0.00 0.00 175.76 174.19 1j9k s ILE 126 N 0.62 1.18 0.03 0.00 2.07 0.60 -0.00 121.20 125.69 1j9k s ILE 126 Ca -0.02 -0.52 0.04 0.00 -1.41 0.00 0.00 60.65 58.74 1j9k s ILE 126 Cb -0.14 -1.06 -0.02 0.00 0.13 0.00 0.00 42.46 41.37 1j9k s ILE 126 CO 0.02 0.36 -0.11 -0.44 -1.91 0.00 0.00 174.94 172.86 1j9k s SER 127 N 0.54 1.34 -0.44 4.50 0.01 0.17 -1.31 113.70 118.50 1j9k s SER 127 Ca -0.13 -0.40 -0.19 0.00 1.31 0.00 0.00 55.95 56.54 1j9k s SER 127 Cb -0.15 -0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.03 1j9k s SER 127 CO 0.03 0.00 0.55 -0.55 0.41 0.00 0.00 173.24 173.69 1j9k s SER 128 N -1.01 6.26 0.00 2.44 0.15 -0.47 -0.52 113.70 120.54 1j9k s SER 128 Ca -0.00 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1j9k s SER 128 Cb -0.07 -2.27 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1j9k s SER 128 CO 0.01 -0.71 0.13 0.00 1.20 0.00 0.00 173.24 173.87 1j9k n ALA 129 N 5.97 1.66 -3.26 5.45 0.00 0.03 -1.42 120.51 128.94 1j9k n ALA 129 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 1j9k n ALA 129 Cb 0.47 -1.59 -0.04 0.00 0.00 0.00 0.00 19.45 18.30 1j9k n ALA 129 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1j9k s ASN 130 N 1.64 -0.20 0.09 0.00 3.84 -1.26 -4.59 114.94 114.46 1j9k s ASN 130 Ca 0.00 -0.26 -0.22 0.00 0.21 0.00 0.00 52.86 52.59 1j9k s ASN 130 Cb 0.00 1.37 -0.13 0.00 -0.55 0.00 0.00 41.25 41.94 1j9k s ASN 130 CO 0.00 -0.33 1.72 0.22 -2.79 0.00 0.00 177.10 175.91 1j9k h TYR 131 N 8.07 0.08 0.55 0.43 3.20 -1.85 -2.03 116.97 125.42 1j9k h TYR 131 Ca -0.06 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.79 1j9k h TYR 131 Cb 1.14 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.36 1j9k h TYR 131 CO 0.27 0.09 -0.47 0.93 -1.64 0.00 0.00 178.16 177.33 1j9k h GLU 132 N 0.05 -0.97 -3.01 1.82 4.39 -1.96 -3.36 114.58 111.55 1j9k h GLU 132 Ca 0.02 0.07 -0.62 0.00 0.34 0.00 0.00 59.36 59.17 1j9k h GLU 132 Cb 0.03 0.22 -0.42 0.00 -0.10 0.00 0.00 28.75 28.48 1j9k h GLU 132 CO -0.00 -0.64 -0.61 -1.54 -1.16 0.00 0.00 179.01 175.05 1j9k s SER 133 N -4.37 4.47 0.58 1.42 1.04 -1.23 -5.10 113.70 110.51 1j9k s SER 133 Ca -0.18 -3.77 -0.16 0.00 0.48 0.00 0.00 55.95 52.32 1j9k s SER 133 Cb 0.04 -1.51 -0.04 0.00 0.10 0.00 0.00 66.02 64.61 1j9k s SER 133 CO 0.61 -0.09 1.05 -2.16 0.98 0.00 0.00 173.24 173.63 1j9k s PRO 134 N -1.29 3.41 -0.61 4.02 0.04 -0.76 -4.76 135.00 135.05 1j9k s PRO 134 Ca 0.26 1.21 0.05 0.00 0.04 0.00 0.00 61.00 62.55 1j9k s PRO 134 Cb -0.04 -2.05 0.19 0.00 0.04 0.00 0.00 34.50 32.65 1j9k s PRO 134 CO -0.17 -0.74 0.52 -3.47 0.04 0.00 0.00 177.00 173.18 1j9k n ASP 135 N -1.89 2.22 -0.28 6.66 2.03 -1.26 -4.96 116.55 119.07 1j9k n ASP 135 Ca 0.09 -3.05 0.01 0.00 0.52 0.00 0.00 54.79 52.37 1j9k n ASP 135 Cb 0.53 -0.69 0.15 0.00 -0.72 0.00 0.00 41.12 40.39 1j9k n ASP 135 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1j9k h PHE 136 N 5.07 0.85 -0.16 -0.67 0.05 -1.96 -1.68 116.94 118.44 1j9k h PHE 136 Ca 0.18 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.98 1j9k h PHE 136 Cb 0.78 -0.26 -0.01 0.00 2.00 0.00 0.00 35.95 38.46 1j9k h PHE 136 CO 0.58 0.38 0.02 0.93 -0.18 0.00 0.00 178.31 180.04 1j9k h GLU 137 N 0.81 0.28 -0.98 1.51 5.08 -1.96 -0.39 114.58 118.93 1j9k h GLU 137 Ca 0.37 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.69 1j9k h GLU 137 Cb 0.28 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 1j9k h GLU 137 CO -0.22 0.46 0.64 0.78 -1.00 0.00 0.00 179.01 179.68 1j9k h GLY 138 N 0.05 1.42 1.01 -3.84 0.00 -1.91 0.44 103.07 100.24 1j9k h GLY 138 Ca 0.05 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 46.77 1j9k h GLY 138 CO 0.00 0.44 -0.19 0.00 0.00 0.00 0.00 176.54 176.79 1j9k h ALA 139 N 1.42 0.55 -0.30 3.60 0.00 -1.17 -1.10 119.26 122.26 1j9k h ALA 139 Ca 0.38 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1j9k h ALA 139 Cb -0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1j9k h ALA 139 CO -0.11 0.49 0.06 0.00 0.00 0.00 0.00 179.25 179.69 1j9k h ALA 140 N 0.81 0.39 -0.77 0.00 0.00 -0.34 -1.62 119.26 117.73 1j9k h ALA 140 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1j9k h ALA 140 Cb 0.74 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1j9k h ALA 140 CO 0.06 0.06 0.50 0.00 0.00 0.00 0.00 179.25 179.87 1j9k h ARG 141 N 0.31 1.02 -0.75 0.00 2.47 -0.08 -1.65 114.38 115.70 1j9k h ARG 141 Ca 0.09 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1j9k h ARG 141 Cb 0.31 -0.23 -0.04 0.00 -1.65 0.00 0.00 29.97 28.37 1j9k h ARG 141 CO 0.00 0.69 0.43 0.35 0.56 0.00 0.00 179.97 182.00 1j9k h PHE 142 N 1.04 1.02 0.03 3.04 3.57 -0.98 -2.55 116.94 122.11 1j9k h PHE 142 Ca 0.28 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1j9k h PHE 142 Cb -0.10 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.31 1j9k h PHE 142 CO -0.02 0.71 -0.04 1.25 -2.23 0.00 0.00 178.31 177.98 1j9k h LEU 143 N 1.04 -0.11 -0.96 0.59 6.46 -0.55 0.55 115.31 122.33 1j9k h LEU 143 Ca 0.27 0.01 0.15 0.00 -0.12 0.00 0.00 57.88 58.19 1j9k h LEU 143 Cb 0.01 0.04 -0.09 0.00 -0.73 0.00 0.00 40.66 39.89 1j9k h LEU 143 CO -0.05 -0.07 0.57 0.40 -0.62 0.00 0.00 178.44 178.68 1j9k h ILE 144 N -0.09 0.80 -0.26 4.05 2.04 -1.13 0.16 117.51 123.08 1j9k h ILE 144 Ca 0.01 -0.28 -0.11 0.00 1.00 0.00 0.00 64.86 65.48 1j9k h ILE 144 Cb 0.09 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.09 1j9k h ILE 144 CO -0.02 0.15 -0.28 -0.78 0.00 0.00 0.00 178.15 177.21 1j9k h ASP 145 N 0.81 0.70 -0.96 1.72 -0.00 -1.04 -3.16 116.42 114.50 1j9k h ASP 145 Ca 0.51 -0.48 0.04 0.00 -0.00 0.00 0.00 57.03 57.10 1j9k h ASP 145 Cb 0.67 -0.20 -0.06 0.00 -0.00 0.00 0.00 39.33 39.75 1j9k h ASP 145 CO -0.33 1.04 0.63 0.15 -0.00 0.00 0.00 179.24 180.73 1j9k h PHE 146 N 0.37 1.17 0.00 0.28 3.57 0.70 -1.60 116.94 121.43 1j9k h PHE 146 Ca 0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1j9k h PHE 146 Cb 0.85 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 1j9k h PHE 146 CO 0.08 0.68 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.73 1j9k h LEU 147 N 1.21 0.00 0.00 0.59 3.38 -1.00 0.30 115.31 119.79 1j9k h LEU 147 Ca 0.38 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.15 1j9k h LEU 147 Cb 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1j9k h LEU 147 CO -0.12 0.04 -1.44 0.11 0.09 0.00 0.00 178.44 177.12 1j9k h LYS 148 N 0.00 0.00 0.00 1.13 1.57 -1.32 -3.39 116.57 114.56 1j9k h LYS 148 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j9k h LYS 148 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1j9k h LYS 148 CO 0.00 0.39 -1.62 0.39 -0.57 0.00 0.00 179.45 178.04 1j9k n GLU 149 N -2.97 0.56 -3.55 3.15 4.71 -0.96 -4.98 120.64 116.59 1j9k n GLU 149 Ca -0.11 -0.13 -0.38 0.00 -0.01 0.00 0.00 57.16 56.53 1j9k n GLU 149 Cb 0.90 -1.47 -0.06 0.00 -1.01 0.00 0.00 31.44 29.80 1j9k n GLU 149 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1j9k s PHE 150 N -3.25 3.71 -0.48 -0.32 5.36 0.06 -5.05 117.98 118.00 1j9k s PHE 150 Ca -0.03 0.94 -0.12 0.00 -0.96 0.00 0.00 56.93 56.76 1j9k s PHE 150 Cb 0.14 -2.24 0.11 0.00 -0.34 0.00 0.00 43.02 40.68 1j9k s PHE 150 CO 0.84 0.66 0.38 0.34 -1.46 0.00 0.00 175.22 175.98 1j9k s ASP 151 N -1.08 5.87 0.00 6.13 2.15 -1.26 -4.91 116.67 123.57 1j9k s ASP 151 Ca 0.23 -1.74 0.04 0.00 0.43 0.00 0.00 52.55 51.51 1j9k s ASP 151 Cb -0.16 -2.08 0.19 0.00 -0.30 0.00 0.00 42.92 40.57 1j9k s ASP 151 CO 0.12 -0.70 0.99 0.49 -0.17 0.00 0.00 175.17 175.90 1j9k n PHE 152 N 5.03 0.00 0.63 -5.34 3.01 -1.26 -2.11 117.46 117.42 1j9k n PHE 152 Ca -0.10 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.47 1j9k n PHE 152 Cb 0.41 -0.33 0.46 0.00 -0.01 0.00 0.00 39.48 40.00 1j9k n PHE 152 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1j9k n SER 153 N -1.33 0.36 0.13 4.37 3.41 -1.26 -2.10 113.62 117.19 1j9k n SER 153 Ca 0.02 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 1j9k n SER 153 Cb 0.03 -0.65 0.32 0.00 -0.26 0.00 0.00 64.21 63.66 1j9k n SER 153 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1j9k h LEU 154 N 0.00 0.00 -9.24 1.04 3.38 -1.87 -3.44 115.31 105.19 1j9k h LEU 154 Ca 0.00 -0.01 -0.56 0.00 0.09 0.00 0.00 57.88 57.40 1j9k h LEU 154 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1j9k h LEU 154 CO 0.00 0.01 0.90 -0.76 0.09 0.00 0.00 178.44 178.68 1j9k s LEU 155 N -4.96 4.25 0.86 1.67 1.02 -0.89 -5.01 118.68 115.62 1j9k s LEU 155 Ca 0.09 1.90 -0.11 0.00 0.02 0.00 0.00 54.13 56.03 1j9k s LEU 155 Cb 0.10 -3.54 0.11 0.00 0.02 0.00 0.00 46.19 42.88 1j9k s LEU 155 CO 0.63 -0.77 1.09 -1.81 0.02 0.00 0.00 176.35 175.52 1j9k s ASP 156 N 2.19 3.82 0.71 2.29 -0.00 -1.26 -4.95 116.67 119.47 1j9k s ASP 156 Ca 0.61 1.43 -0.16 0.00 -0.00 0.00 0.00 52.55 54.43 1j9k s ASP 156 Cb -0.26 -2.13 0.03 0.00 -0.00 0.00 0.00 42.92 40.55 1j9k s ASP 156 CO 0.21 -2.41 1.25 -2.16 -0.00 0.00 0.00 175.17 172.06 1j9k s PRO 157 N -5.01 2.19 -1.61 8.23 0.04 -1.26 -2.48 135.00 135.10 1j9k s PRO 157 Ca 0.63 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.59 1j9k s PRO 157 Cb -0.17 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1j9k s PRO 157 CO 0.56 -1.84 0.00 1.19 0.04 0.00 0.00 177.00 176.95 1j9k n PHE 158 N -2.48 -0.61 -4.81 0.56 3.01 -1.24 -4.95 117.46 106.94 1j9k n PHE 158 Ca 0.15 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.28 1j9k n PHE 158 Cb 0.49 -3.11 -0.15 0.00 -0.01 0.00 0.00 39.48 36.70 1j9k n PHE 158 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1j9k s THR 159 N -2.56 2.87 0.44 4.37 2.01 -1.03 -4.00 115.64 117.73 1j9k s THR 159 Ca 0.00 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.33 1j9k s THR 159 Cb 0.00 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1j9k s THR 159 CO 0.00 0.53 0.13 0.00 -0.69 0.00 0.00 174.62 174.59 1j9k s MET 160 N 0.41 2.16 -0.22 4.92 0.23 0.05 -4.63 119.30 122.22 1j9k s MET 160 Ca -0.11 -2.03 -0.02 0.00 -1.03 0.00 0.00 55.69 52.50 1j9k s MET 160 Cb -0.16 -1.83 0.01 0.00 -1.53 0.00 0.00 34.83 31.32 1j9k s MET 160 CO 0.06 -0.20 -0.08 -0.51 -2.03 0.00 0.00 175.02 172.26 1j9k s LEU 161 N -3.90 2.88 -0.44 0.18 1.02 -0.53 -1.31 118.68 116.58 1j9k s LEU 161 Ca 0.32 -0.63 -0.19 0.00 0.02 0.00 0.00 54.13 53.65 1j9k s LEU 161 Cb 0.04 -1.66 0.03 0.00 0.02 0.00 0.00 46.19 44.62 1j9k s LEU 161 CO 0.18 -0.06 0.56 0.21 0.02 0.00 0.00 176.35 177.26 1j9k s ASN 162 N 1.39 6.26 -0.13 2.29 3.04 0.51 -1.32 114.94 126.98 1j9k s ASN 162 Ca 0.03 -0.56 -0.02 0.00 0.04 0.00 0.00 52.86 52.35 1j9k s ASN 162 Cb -0.15 -2.28 -0.02 0.00 -1.54 0.00 0.00 41.25 37.26 1j9k s ASN 162 CO -0.05 -0.72 -0.07 -0.63 -3.04 0.00 0.00 177.10 172.58 1j9k s ILE 163 N 2.53 3.61 -0.15 -5.21 1.01 0.10 -1.50 121.20 121.59 1j9k s ILE 163 Ca 0.17 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.36 1j9k s ILE 163 Cb -0.16 -2.55 0.02 0.00 0.01 0.00 0.00 42.46 39.79 1j9k s ILE 163 CO 0.16 0.52 -0.14 0.20 0.00 0.00 0.00 174.94 175.68 1j9k s ASN 164 N 0.13 2.70 -0.17 3.58 -0.87 -0.44 -0.65 114.94 119.22 1j9k s ASN 164 Ca -0.03 -0.50 -0.07 0.00 -1.57 0.00 0.00 52.86 50.68 1j9k s ASN 164 Cb -0.14 -1.16 -0.04 0.00 -0.02 0.00 0.00 41.25 39.88 1j9k s ASN 164 CO 0.03 -0.07 0.08 -0.69 -2.57 0.00 0.00 177.10 173.89 1j9k s VAL 165 N 1.49 4.96 0.62 1.60 1.01 0.32 -0.76 120.40 129.64 1j9k s VAL 165 Ca 0.05 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.86 1j9k s VAL 165 Cb -0.13 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1j9k s VAL 165 CO -0.10 0.50 1.25 -2.84 0.00 0.00 0.00 175.10 173.90 1j9k s PRO 166 N 0.03 2.77 0.08 2.72 0.02 -1.26 -0.79 135.00 138.58 1j9k s PRO 166 Ca 0.07 1.94 0.02 0.00 0.02 0.00 0.00 61.00 63.05 1j9k s PRO 166 Cb -0.12 -1.89 -0.25 0.00 0.02 0.00 0.00 34.50 32.27 1j9k s PRO 166 CO 0.00 -1.39 1.16 0.00 -0.33 0.00 0.00 177.00 176.44 1j9k h ALA 167 N 0.72 0.27 -3.00 -1.55 0.00 -1.90 -3.45 119.26 110.35 1j9k h ALA 167 Ca -0.51 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.46 1j9k h ALA 167 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1j9k h ALA 167 CO 0.54 1.15 0.00 0.41 0.00 0.00 0.00 179.25 181.35 1j9k n GLY 168 N 1.46 0.78 3.82 0.00 0.00 -1.26 -4.76 105.19 105.23 1j9k n GLY 168 Ca -0.05 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1j9k n GLY 168 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j9k s GLU 169 N 0.00 4.00 -0.51 1.61 2.12 -1.26 -5.04 118.70 119.62 1j9k s GLU 169 Ca 0.00 0.46 -0.18 0.00 0.36 0.00 0.00 54.97 55.61 1j9k s GLU 169 Cb 0.00 -3.24 0.07 0.00 0.26 0.00 0.00 34.13 31.22 1j9k s GLU 169 CO 0.00 0.64 0.57 0.42 -0.54 0.00 0.00 175.26 176.34 1j9k s ILE 170 N -0.94 4.98 -2.19 -3.70 1.01 -1.26 -4.69 121.20 114.42 1j9k s ILE 170 Ca 0.25 -0.76 0.20 0.00 0.00 0.00 0.00 60.65 60.33 1j9k s ILE 170 Cb -0.17 -4.28 0.48 0.00 0.01 0.00 0.00 42.46 38.50 1j9k s ILE 170 CO 0.14 -0.79 1.60 0.29 0.00 0.00 0.00 174.94 176.18 1j9k n LYS 171 N 5.88 1.49 0.00 2.79 5.02 0.67 -5.01 118.16 129.00 1j9k n LYS 171 Ca -0.09 -0.73 0.00 0.00 -2.02 0.00 0.00 58.31 55.47 1j9k n LYS 171 Cb 0.44 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 1j9k n LYS 171 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1j9k n GLY 172 N 1.02 0.47 3.70 0.72 0.00 -1.26 -4.97 105.19 104.87 1j9k n GLY 172 Ca 0.15 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 1j9k n GLY 172 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1j9k s TRP 173 N -1.34 3.02 -0.15 1.61 0.51 -1.26 -1.02 118.94 120.31 1j9k s TRP 173 Ca 0.00 -0.01 -0.07 0.00 -2.12 0.00 0.00 56.10 53.90 1j9k s TRP 173 Cb 0.00 -1.55 0.06 0.00 -0.81 0.00 0.00 33.47 31.17 1j9k s TRP 173 CO 0.00 0.49 0.35 0.50 -0.51 0.00 0.00 176.95 177.77 1j9k s ARG 174 N -2.31 0.28 -0.12 4.98 3.52 -0.68 -4.89 118.95 119.74 1j9k s ARG 174 Ca 0.26 0.78 -0.29 0.00 -0.13 0.00 0.00 55.73 56.35 1j9k s ARG 174 Cb -0.12 0.03 -0.01 0.00 -1.56 0.00 0.00 34.95 33.29 1j9k s ARG 174 CO 0.19 -0.21 0.97 -0.06 -0.81 0.00 0.00 175.30 175.38 1j9k s PHE 175 N 1.85 3.50 0.38 5.12 0.40 -1.26 -1.52 117.98 126.44 1j9k s PHE 175 Ca -0.06 1.52 0.04 0.00 -0.60 0.00 0.00 56.93 57.84 1j9k s PHE 175 Cb -0.10 -3.15 -0.06 0.00 0.51 0.00 0.00 43.02 40.22 1j9k s PHE 175 CO -0.11 -0.22 0.05 0.95 0.70 0.00 0.00 175.22 176.59 1j9k s THR 176 N 2.01 1.35 0.29 0.64 -4.23 -0.30 -4.90 115.64 110.49 1j9k s THR 176 Ca 0.46 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.05 1j9k s THR 176 Cb -0.18 -2.74 -0.04 0.00 1.34 0.00 0.00 72.50 70.88 1j9k s THR 176 CO 0.17 0.00 0.12 0.00 -0.54 0.00 0.00 174.62 174.37 1j9k s ARG 177 N -3.82 2.54 0.27 3.99 1.70 -0.78 -4.12 118.95 118.74 1j9k s ARG 177 Ca 0.32 -1.33 -0.29 0.00 -0.47 0.00 0.00 55.73 53.95 1j9k s ARG 177 Cb 0.08 -2.31 -0.10 0.00 -0.57 0.00 0.00 34.95 32.05 1j9k s ARG 177 CO 0.15 0.28 1.24 -1.14 -1.08 0.00 0.00 175.30 174.75 1j9k s GLN 178 N -3.80 4.46 0.70 3.89 0.74 -1.26 -1.76 119.66 122.63 1j9k s GLN 178 Ca 0.34 2.03 -0.03 0.00 0.05 0.00 0.00 55.36 57.75 1j9k s GLN 178 Cb -0.06 -3.15 0.14 0.00 1.10 0.00 0.00 33.01 31.05 1j9k s GLN 178 CO 0.23 -0.07 0.96 -1.13 -0.55 0.00 0.00 175.29 174.72 1j9k n SER 179 N 1.49 1.01 -1.40 6.67 3.41 -1.26 -4.82 113.62 118.72 1j9k n SER 179 Ca 0.01 -1.92 0.01 0.00 -0.26 0.00 0.00 58.87 56.71 1j9k n SER 179 Cb 0.43 -0.65 0.27 0.00 -0.26 0.00 0.00 64.21 64.01 1j9k n SER 179 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1j9k n ARG 180 N -2.83 3.09 -1.68 4.33 1.85 -1.26 -3.91 116.66 116.25 1j9k n ARG 180 Ca 0.15 -3.02 -0.44 0.00 -1.00 0.00 0.00 57.85 53.54 1j9k n ARG 180 Cb 0.53 -2.00 -0.02 0.00 -1.05 0.00 0.00 32.46 29.92 1j9k n ARG 180 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 1j9k n ARG 181 N -0.46 2.09 0.00 2.89 0.63 -1.26 -4.63 116.66 115.93 1j9k n ARG 181 Ca 0.31 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 57.99 1j9k n ARG 181 Cb 1.12 -2.40 0.00 0.00 0.45 0.00 0.00 32.46 31.63 1j9k n ARG 181 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1j9k n ARG 182 N 1.92 0.00 -4.15 -0.14 1.85 -1.07 -0.85 116.66 114.23 1j9k n ARG 182 Ca 0.11 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.82 1j9k n ARG 182 Cb 0.32 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.62 1j9k n ARG 182 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1j9k s TRP 183 N -2.45 0.96 -1.06 2.89 0.52 -1.26 -0.33 118.94 118.21 1j9k s TRP 183 Ca 0.00 -0.62 -0.09 0.00 0.02 0.00 0.00 56.10 55.41 1j9k s TRP 183 Cb 0.00 -0.54 0.27 0.00 -1.15 0.00 0.00 33.47 32.05 1j9k s TRP 183 CO 0.00 -0.03 1.04 -0.80 0.02 0.00 0.00 176.95 177.18 1j9k s ASN 184 N -2.21 7.13 -0.04 2.95 0.02 0.22 -4.91 114.94 118.10 1j9k s ASN 184 Ca 0.01 -3.51 -0.12 0.00 -1.02 0.00 0.00 52.86 48.22 1j9k s ASN 184 Cb -0.05 -2.18 -0.05 0.00 0.02 0.00 0.00 41.25 38.99 1j9k s ASN 184 CO -0.00 -0.31 0.33 1.51 0.02 0.00 0.00 177.10 178.65 1j9k s ASP 185 N 1.27 6.68 0.00 -1.22 1.47 -1.26 -1.95 116.67 121.67 1j9k s ASP 185 Ca 0.29 0.81 0.00 0.00 1.18 0.00 0.00 52.55 54.83 1j9k s ASP 185 Cb -0.10 -2.20 0.00 0.00 -0.34 0.00 0.00 42.92 40.28 1j9k s ASP 185 CO -0.08 0.34 0.00 0.00 0.68 0.00 0.00 175.17 176.11 1j9k n TYR 186 N 1.91 0.00 -4.40 2.11 0.18 0.26 -4.94 117.16 112.28 1j9k n TYR 186 Ca -0.16 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.42 1j9k n TYR 186 Cb 0.53 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.36 1j9k n TYR 186 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 1j9k s PHE 187 N -1.69 1.24 -0.33 -3.48 0.40 -1.26 -0.50 117.98 112.36 1j9k s PHE 187 Ca 0.00 -0.34 -0.13 0.00 -0.60 0.00 0.00 56.93 55.87 1j9k s PHE 187 Cb 0.00 -0.75 -0.02 0.00 0.51 0.00 0.00 43.02 42.76 1j9k s PHE 187 CO 0.00 0.03 0.25 -2.00 0.70 0.00 0.00 175.22 174.19 1j9k s GLU 188 N -1.02 3.60 -0.06 0.44 -6.30 0.07 -4.91 118.70 110.52 1j9k s GLU 188 Ca 0.02 -0.55 -0.16 0.00 -2.50 0.00 0.00 54.97 51.79 1j9k s GLU 188 Cb -0.07 -3.78 -0.05 0.00 0.00 0.00 0.00 34.13 30.23 1j9k s GLU 188 CO 0.01 -0.40 0.42 -2.00 0.02 0.00 0.00 175.26 173.31 1j9k s GLU 189 N 1.77 4.12 0.22 4.30 2.12 -1.26 -1.17 118.70 128.80 1j9k s GLU 189 Ca 0.07 0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.80 1j9k s GLU 189 Cb -0.17 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 1j9k s GLU 189 CO 0.11 0.44 0.14 1.03 -0.54 0.00 0.00 175.26 176.44 1j9k s ARG 190 N -0.28 1.29 -0.05 4.30 0.52 -0.31 -4.98 118.95 119.43 1j9k s ARG 190 Ca 0.24 -1.69 0.06 0.00 -0.52 0.00 0.00 55.73 53.82 1j9k s ARG 190 Cb -0.16 0.21 -0.01 0.00 0.52 0.00 0.00 34.95 35.51 1j9k s ARG 190 CO 0.11 -0.41 -0.24 0.08 0.02 0.00 0.00 175.30 174.87 1j9k s VAL 191 N -4.03 1.94 0.77 3.52 1.01 -1.26 0.12 120.40 122.47 1j9k s VAL 191 Ca 0.39 -1.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 1j9k s VAL 191 Cb 0.07 -1.63 0.10 0.00 0.00 0.00 0.00 36.38 34.91 1j9k s VAL 191 CO 0.14 0.54 1.10 -0.94 0.00 0.00 0.00 175.10 175.94 1j9k s SER 192 N -0.24 4.40 0.30 3.32 1.04 0.67 -4.94 113.70 118.25 1j9k s SER 192 Ca -0.00 0.39 -0.02 0.00 0.48 0.00 0.00 55.95 56.80 1j9k s SER 192 Cb -0.12 -0.88 0.46 0.00 0.10 0.00 0.00 66.02 65.58 1j9k s SER 192 CO 0.02 -1.89 1.96 -0.65 0.98 0.00 0.00 173.24 173.67 1j9k h PRO 193 N -0.86 1.07 -0.98 4.02 0.11 -2.01 -1.96 132.00 131.39 1j9k h PRO 193 Ca -0.44 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 1j9k h PRO 193 Cb 1.30 -0.24 -0.08 0.00 0.11 0.00 0.00 31.00 32.09 1j9k h PRO 193 CO 0.55 0.71 0.17 1.97 -0.21 0.00 0.00 178.00 181.19 1j9k n PHE 194 N -4.42 0.91 -1.02 0.65 1.16 -1.26 -4.87 117.46 108.61 1j9k n PHE 194 Ca 0.10 -0.79 -0.01 0.00 -1.87 0.00 0.00 57.45 54.88 1j9k n PHE 194 Cb 0.05 -0.42 -0.00 0.00 -1.61 0.00 0.00 39.48 37.49 1j9k n PHE 194 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1j9k n GLY 195 N 0.02 0.21 3.78 4.97 0.00 -0.74 -5.00 105.19 108.43 1j9k n GLY 195 Ca 0.17 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1j9k n GLY 195 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j9k s GLU 196 N -1.50 3.94 0.49 1.61 2.12 -1.26 -4.79 118.70 119.32 1j9k s GLU 196 Ca 0.00 -0.11 -0.20 0.00 0.36 0.00 0.00 54.97 55.02 1j9k s GLU 196 Cb 0.00 -3.34 -0.08 0.00 0.26 0.00 0.00 34.13 30.97 1j9k s GLU 196 CO 0.00 0.47 1.02 -1.59 -0.54 0.00 0.00 175.26 174.62 1j9k s LYS 197 N -0.15 3.84 0.08 4.30 -2.85 -1.26 -0.24 119.74 123.46 1j9k s LYS 197 Ca 0.12 1.26 -0.02 0.00 -1.00 0.00 0.00 55.97 56.34 1j9k s LYS 197 Cb -0.12 -2.11 -0.04 0.00 -2.06 0.00 0.00 37.83 33.51 1j9k s LYS 197 CO 0.02 -0.38 0.02 1.52 0.10 0.00 0.00 175.35 176.63 1j9k s TYR 198 N -2.13 0.57 -0.03 1.78 -0.85 0.12 -4.88 117.35 111.94 1j9k s TYR 198 Ca 0.65 -1.06 0.06 0.00 -0.52 0.00 0.00 57.07 56.20 1j9k s TYR 198 Cb -0.14 -0.37 -0.01 0.00 0.38 0.00 0.00 41.96 41.81 1j9k s TYR 198 CO 0.21 -0.44 -0.21 0.71 -1.52 0.00 0.00 175.55 174.30 1j9k s TYR 199 N -3.95 1.94 -0.22 -3.49 1.51 -1.26 -1.17 117.35 110.72 1j9k s TYR 199 Ca 0.12 -0.44 -0.06 0.00 -1.01 0.00 0.00 57.07 55.68 1j9k s TYR 199 Cb 0.07 -1.27 -0.03 0.00 -0.11 0.00 0.00 41.96 40.63 1j9k s TYR 199 CO -0.07 -0.08 0.02 -1.58 -1.11 0.00 0.00 175.55 172.73 1j9k s TRP 200 N -0.35 3.06 0.11 2.71 0.23 -0.31 -4.93 118.94 119.46 1j9k s TRP 200 Ca 0.04 -0.44 -0.30 0.00 -2.03 0.00 0.00 56.10 53.37 1j9k s TRP 200 Cb -0.10 -2.13 -0.06 0.00 0.03 0.00 0.00 33.47 31.21 1j9k s TRP 200 CO 0.00 -0.27 1.11 1.41 0.96 0.00 0.00 176.95 180.16 1j9k s MET 201 N 1.19 4.54 0.30 4.98 1.75 -1.26 -0.75 119.30 130.04 1j9k s MET 201 Ca 0.03 1.69 0.04 0.00 -1.25 0.00 0.00 55.69 56.20 1j9k s MET 201 Cb -0.14 -3.33 -0.03 0.00 2.84 0.00 0.00 34.83 34.16 1j9k s MET 201 CO 0.02 -0.05 0.20 -1.64 -0.65 0.00 0.00 175.02 172.90 1j9k s MET 202 N 0.30 1.59 0.00 4.11 -1.94 0.34 -4.93 119.30 118.77 1j9k s MET 202 Ca 0.53 -1.91 0.00 0.00 -1.71 0.00 0.00 55.69 52.60 1j9k s MET 202 Cb -0.28 0.12 0.00 0.00 2.01 0.00 0.00 34.83 36.68 1j9k s MET 202 CO 0.32 -0.52 0.00 0.41 -0.01 0.00 0.00 175.02 175.22 1j9k n GLY 203 N -0.55 1.49 3.27 -0.03 0.00 -1.26 -0.58 105.19 107.53 1j9k n GLY 203 Ca 0.03 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 1j9k n GLY 203 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j9k s GLU 204 N -2.00 2.17 0.56 1.61 0.41 -0.82 -4.92 118.70 115.71 1j9k s GLU 204 Ca 0.00 -0.87 -0.20 0.00 -0.41 0.00 0.00 54.97 53.49 1j9k s GLU 204 Cb 0.00 -1.98 -0.05 0.00 -1.78 0.00 0.00 34.13 30.32 1j9k s GLU 204 CO 0.00 0.46 1.20 0.54 -0.49 0.00 0.00 175.26 176.97 1j9k s VAL 205 N -0.39 2.76 -0.22 2.63 0.11 -1.26 -0.61 120.40 123.41 1j9k s VAL 205 Ca 0.04 0.49 0.02 0.00 -2.93 0.00 0.00 61.98 59.60 1j9k s VAL 205 Cb -0.11 -3.21 0.04 0.00 -1.53 0.00 0.00 36.38 31.57 1j9k s VAL 205 CO 0.01 -0.08 -0.14 -0.63 -3.33 0.00 0.00 175.10 170.92 1j9k s ILE 206 N -1.60 2.06 -0.44 7.04 1.01 0.56 -4.80 121.20 125.02 1j9k s ILE 206 Ca 0.74 -1.30 0.04 0.00 0.00 0.00 0.00 60.65 60.13 1j9k s ILE 206 Cb -0.30 -2.05 0.12 0.00 0.01 0.00 0.00 42.46 40.24 1j9k s ILE 206 CO 0.33 0.20 0.17 -1.61 0.00 0.00 0.00 174.94 174.04 1j9k s GLU 207 N 1.21 1.78 -0.08 2.79 2.02 -1.26 -2.59 118.70 122.57 1j9k s GLU 207 Ca -0.03 -2.29 0.13 0.00 0.02 0.00 0.00 54.97 52.80 1j9k s GLU 207 Cb -0.17 -3.29 0.27 0.00 0.10 0.00 0.00 34.13 31.04 1j9k s GLU 207 CO -0.08 -1.04 1.13 -0.40 0.02 0.00 0.00 175.26 174.88 1j9k n ASP 208 N 3.63 1.23 -4.70 -0.19 5.75 -1.26 -5.06 116.55 115.95 1j9k n ASP 208 Ca 0.04 -2.71 -0.42 0.00 -0.01 0.00 0.00 54.79 51.70 1j9k n ASP 208 Cb 0.37 -0.36 -0.03 0.00 -1.03 0.00 0.00 41.12 40.07 1j9k n ASP 208 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1j9k s ASP 209 N -2.22 7.18 0.20 -1.12 -1.08 -1.26 -4.93 116.67 113.44 1j9k s ASP 209 Ca 0.25 1.80 0.17 0.00 -0.52 0.00 0.00 52.55 54.25 1j9k s ASP 209 Cb 0.24 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 39.14 1j9k s ASP 209 CO -0.04 -0.43 1.19 0.44 0.52 0.00 0.00 175.17 176.84 1j9k h ASP 210 N 7.00 0.00 -3.99 -0.34 5.19 -2.04 -3.46 116.42 118.78 1j9k h ASP 210 Ca -0.38 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.49 1j9k h ASP 210 Cb 1.19 0.00 0.11 0.00 0.18 0.00 0.00 39.33 40.81 1j9k h ASP 210 CO 0.82 0.45 0.64 -0.13 -3.12 0.00 0.00 179.24 177.89 1j9k s ARG 211 N -3.00 3.68 0.24 3.56 0.52 -1.26 -4.95 118.95 117.73 1j9k s ARG 211 Ca 0.01 2.25 0.21 0.00 -0.52 0.00 0.00 55.73 57.68 1j9k s ARG 211 Cb 0.08 -2.59 0.06 0.00 0.52 0.00 0.00 34.95 33.02 1j9k s ARG 211 CO 0.77 -0.77 1.18 0.22 0.02 0.00 0.00 175.30 176.73 1j9k h ASP 212 N 2.25 0.00 -0.97 0.23 3.58 -2.04 -3.37 116.42 116.09 1j9k h ASP 212 Ca -0.50 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.38 1j9k h ASP 212 Cb 1.26 0.00 -0.30 0.00 1.72 0.00 0.00 39.33 42.02 1j9k h ASP 212 CO 0.61 0.16 0.69 -0.90 -2.88 0.00 0.00 179.24 176.92 1j9k n ASP 213 N -2.88 5.14 -4.92 2.28 5.75 -1.26 -4.79 116.55 115.88 1j9k n ASP 213 Ca -0.01 -3.68 -0.27 0.00 -0.01 0.00 0.00 54.79 50.83 1j9k n ASP 213 Cb 0.62 -0.88 -0.01 0.00 -1.03 0.00 0.00 41.12 39.82 1j9k n ASP 213 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1j9k s VAL 214 N -3.86 4.98 0.16 2.12 -7.23 -1.26 -1.86 120.40 113.45 1j9k s VAL 214 Ca 0.59 -0.00 -0.23 0.00 -1.81 0.00 0.00 61.98 60.53 1j9k s VAL 214 Cb 0.49 -3.84 0.05 0.00 0.56 0.00 0.00 36.38 33.64 1j9k s VAL 214 CO 0.06 -0.66 1.60 -2.24 -0.31 0.00 0.00 175.10 173.56 1j9k h ASP 215 N 0.68 -1.02 0.13 4.85 3.04 -1.66 -3.01 116.42 119.43 1j9k h ASP 215 Ca -0.48 0.18 -0.06 0.00 -3.24 0.00 0.00 57.03 53.43 1j9k h ASP 215 Cb 1.21 0.48 -0.01 0.00 -1.04 0.00 0.00 39.33 39.96 1j9k h ASP 215 CO 0.62 -0.32 -0.22 0.10 -2.04 0.00 0.00 179.24 177.39 1j9k h TYR 216 N -0.26 0.18 -0.60 4.15 -0.00 -1.96 -2.68 116.97 115.79 1j9k h TYR 216 Ca 0.16 -0.03 -0.09 0.00 0.00 0.00 0.00 58.73 58.78 1j9k h TYR 216 Cb 0.53 -0.05 -0.02 0.00 0.00 0.00 0.00 36.73 37.19 1j9k h TYR 216 CO -0.50 0.38 0.04 0.87 -0.00 0.00 0.00 178.16 178.95 1j9k h LYS 217 N 0.15 1.03 -0.41 0.10 1.57 -1.88 0.12 116.57 117.25 1j9k h LYS 217 Ca 0.03 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 1j9k h LYS 217 Cb 0.48 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1j9k h LYS 217 CO 0.03 1.00 0.16 0.00 -0.57 0.00 0.00 179.45 180.08 1j9k h ALA 218 N 1.00 0.53 -0.73 3.86 0.00 -1.43 -1.86 119.26 120.63 1j9k h ALA 218 Ca 0.17 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1j9k h ALA 218 Cb 0.51 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1j9k h ALA 218 CO 0.02 0.13 0.20 0.28 0.00 0.00 0.00 179.25 179.88 1j9k h VAL 219 N 0.51 1.26 -0.58 0.00 2.07 -1.25 0.12 116.25 118.39 1j9k h VAL 219 Ca 0.14 -0.95 0.05 0.00 0.82 0.00 0.00 66.70 66.75 1j9k h VAL 219 Cb 0.18 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1j9k h VAL 219 CO -0.01 0.37 0.38 -0.09 0.02 0.00 0.00 177.57 178.24 1j9k h ARG 220 N 1.09 0.59 -0.19 1.57 2.43 -0.39 -0.22 114.38 119.26 1j9k h ARG 220 Ca 0.23 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1j9k h ARG 220 Cb 0.34 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1j9k h ARG 220 CO -0.00 0.39 0.00 0.39 -1.51 0.00 0.00 179.97 179.24 1j9k n GLU 221 N -4.47 1.47 -0.93 0.20 1.02 -0.73 -4.87 120.64 112.32 1j9k n GLU 221 Ca 0.07 -0.73 0.00 0.00 -0.02 0.00 0.00 57.16 56.48 1j9k n GLU 221 Cb 0.19 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1j9k n GLU 221 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j9k n GLY 222 N 0.85 0.45 3.55 0.62 0.00 -0.09 -4.84 105.19 105.72 1j9k n GLY 222 Ca 0.08 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 1j9k n GLY 222 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j9k s TYR 223 N -2.00 2.96 0.20 1.61 1.51 0.37 -0.24 117.35 121.76 1j9k s TYR 223 Ca 0.00 -0.11 -0.31 0.00 -1.01 0.00 0.00 57.07 55.64 1j9k s TYR 223 Cb 0.00 -1.79 -0.10 0.00 -0.11 0.00 0.00 41.96 39.96 1j9k s TYR 223 CO 0.00 0.20 1.56 0.08 -1.11 0.00 0.00 175.55 176.28 1j9k s VAL 224 N -0.42 2.50 -0.24 0.71 1.01 -0.19 -2.67 120.40 121.10 1j9k s VAL 224 Ca 0.06 0.38 -0.14 0.00 0.00 0.00 0.00 61.98 62.28 1j9k s VAL 224 Cb -0.12 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1j9k s VAL 224 CO 0.02 0.04 0.31 -0.55 0.00 0.00 0.00 175.10 174.92 1j9k s SER 225 N 0.91 6.25 -0.29 3.32 0.15 0.06 -1.69 113.70 122.40 1j9k s SER 225 Ca 0.68 0.28 0.02 0.00 0.70 0.00 0.00 55.95 57.62 1j9k s SER 225 Cb -0.44 -2.18 0.08 0.00 -1.71 0.00 0.00 66.02 61.77 1j9k s SER 225 CO 0.36 -0.08 0.01 -0.63 1.20 0.00 0.00 173.24 174.10 1j9k s ILE 226 N 1.57 1.80 -0.22 6.45 1.01 -0.57 -1.33 121.20 129.90 1j9k s ILE 226 Ca 0.13 -1.76 -0.06 0.00 0.00 0.00 0.00 60.65 58.97 1j9k s ILE 226 Cb -0.15 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 1j9k s ILE 226 CO 0.08 -0.39 0.02 -0.89 0.00 0.00 0.00 174.94 173.76 1j9k s THR 227 N 1.20 3.99 -0.16 2.92 2.01 -0.56 -1.16 115.64 123.88 1j9k s THR 227 Ca 0.03 -0.29 -0.26 0.00 0.31 0.00 0.00 61.69 61.48 1j9k s THR 227 Cb -0.19 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.47 1j9k s THR 227 CO -0.10 0.39 0.86 -2.16 -0.69 0.00 0.00 174.62 172.91 1j9k s PRO 228 N 1.35 4.32 0.12 4.92 0.04 -1.26 -0.36 135.00 144.13 1j9k s PRO 228 Ca 0.05 1.07 0.05 0.00 0.04 0.00 0.00 61.00 62.21 1j9k s PRO 228 Cb -0.15 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.79 1j9k s PRO 228 CO 0.01 -0.31 -0.12 0.96 0.04 0.00 0.00 177.00 177.58 1j9k s ILE 229 N 2.09 1.19 0.11 0.56 -4.36 -0.43 -4.94 121.20 115.43 1j9k s ILE 229 Ca 0.40 -1.77 -0.01 0.00 -0.26 0.00 0.00 60.65 59.00 1j9k s ILE 229 Cb -0.17 -1.55 -0.04 0.00 1.25 0.00 0.00 42.46 41.95 1j9k s ILE 229 CO 0.13 -0.53 0.03 -1.38 0.24 0.00 0.00 174.94 173.44 1j9k s HIS 230 N -2.48 0.78 -1.01 1.37 -3.43 -1.26 -0.77 115.29 108.49 1j9k s HIS 230 Ca 0.10 -1.19 -0.08 0.00 -0.80 0.00 0.00 55.06 53.08 1j9k s HIS 230 Cb -0.03 -0.46 -0.16 0.00 -1.43 0.00 0.00 32.58 30.51 1j9k s HIS 230 CO 0.02 -0.48 3.21 -0.35 -2.00 0.00 0.00 174.74 175.14 1j9k n PRO 231 N -0.04 3.05 -3.76 -0.38 -0.04 -1.26 -4.80 135.00 127.77 1j9k n PRO 231 Ca -0.08 -1.74 -0.25 0.00 -0.04 0.00 0.00 63.50 61.39 1j9k n PRO 231 Cb 0.63 -2.49 -0.17 0.00 -0.04 0.00 0.00 33.50 31.43 1j9k n PRO 231 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1j9k s PHE 232 N 1.73 0.87 -1.82 0.54 0.40 -1.26 -5.03 117.98 113.41 1j9k s PHE 232 Ca 0.69 -0.52 0.18 0.00 -0.60 0.00 0.00 56.93 56.68 1j9k s PHE 232 Cb 0.23 -0.93 0.41 0.00 0.51 0.00 0.00 43.02 43.25 1j9k s PHE 232 CO -0.04 -0.47 1.34 1.28 0.70 0.00 0.00 175.22 178.03 1j9k n LEU 233 N 5.09 3.29 -4.76 -0.37 4.77 -1.26 -5.01 117.00 118.75 1j9k n LEU 233 Ca -0.08 -1.70 -0.41 0.00 -0.03 0.00 0.00 56.01 53.78 1j9k n LEU 233 Cb 0.49 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 1j9k n LEU 233 CO 0.12 0.76 1.20 -0.89 -1.33 0.00 0.00 177.39 177.26 1j9k s THR 234 N -1.17 2.12 -0.77 -5.08 2.01 -1.26 -4.93 115.64 106.56 1j9k s THR 234 Ca 0.35 0.10 -0.15 0.00 0.31 0.00 0.00 61.69 62.30 1j9k s THR 234 Cb 0.19 -3.07 0.19 0.00 0.01 0.00 0.00 72.50 69.82 1j9k s THR 234 CO 0.26 0.02 0.76 0.21 -0.69 0.00 0.00 174.62 175.18 1j9k s ASN 235 N 0.32 6.61 0.12 3.53 3.84 -1.26 -4.92 114.94 123.17 1j9k s ASN 235 Ca 0.60 -2.37 -0.22 0.00 0.21 0.00 0.00 52.86 51.08 1j9k s ASN 235 Cb -0.47 -2.24 -0.04 0.00 -0.55 0.00 0.00 41.25 37.95 1j9k s ASN 235 CO 0.51 -0.72 1.68 -0.33 -2.79 0.00 0.00 177.10 175.45 1j9k h GLU 236 N 8.20 -0.15 -0.50 0.43 3.07 -1.99 -0.40 114.58 123.24 1j9k h GLU 236 Ca 0.01 0.01 0.10 0.00 -0.50 0.00 0.00 59.36 58.98 1j9k h GLU 236 Cb 1.05 0.03 -0.10 0.00 -0.84 0.00 0.00 28.75 28.90 1j9k h GLU 236 CO 0.87 -0.10 -0.16 0.37 -1.40 0.00 0.00 179.01 178.59 1j9k h GLN 237 N -0.16 -0.03 -0.61 2.33 4.15 -2.00 0.11 115.11 118.90 1j9k h GLN 237 Ca 0.08 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.42 1j9k h GLN 237 Cb 0.27 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 1j9k h GLN 237 CO -0.20 -0.02 0.07 0.00 -1.93 0.00 0.00 178.83 176.75 1j9k h LEU 239 N 0.93 -0.04 -1.11 0.00 6.46 0.40 -0.82 115.31 121.13 1j9k h LEU 239 Ca 0.18 0.04 0.08 0.00 -0.12 0.00 0.00 57.88 58.06 1j9k h LEU 239 Cb 0.47 0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 40.40 1j9k h LEU 239 CO 0.02 0.01 0.61 0.50 -0.62 0.00 0.00 178.44 178.96 1j9k h LYS 240 N 0.09 0.99 -0.21 1.25 3.64 -0.71 -2.38 116.57 119.24 1j9k h LYS 240 Ca 0.10 -0.06 -0.20 0.00 -1.27 0.00 0.00 60.65 59.21 1j9k h LYS 240 Cb 0.11 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 1j9k h LYS 240 CO -0.15 0.66 -0.67 -0.22 -2.27 0.00 0.00 179.45 176.80 1j9k h LYS 241 N 1.02 0.80 0.00 1.90 3.64 -1.08 -2.62 116.57 120.23 1j9k h LYS 241 Ca 0.42 -0.59 -0.04 0.00 -1.27 0.00 0.00 60.65 59.18 1j9k h LYS 241 Cb 0.29 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1j9k h LYS 241 CO -0.18 1.20 -0.20 -0.07 -2.27 0.00 0.00 179.45 177.94 1j9k h LEU 242 N 0.58 0.00 0.01 5.20 -0.00 -0.72 -2.95 115.31 117.44 1j9k h LEU 242 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.83 1j9k h LEU 242 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.95 1j9k h LEU 242 CO 0.14 0.20 -0.14 0.03 -0.00 0.00 0.00 178.44 178.67 1j9k h ARG 243 N 0.00 0.07 0.00 1.13 3.08 -1.42 -2.65 114.38 114.59 1j9k h ARG 243 Ca -0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1j9k h ARG 243 Cb 0.35 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1j9k h ARG 243 CO 0.03 0.96 0.00 -0.85 -1.07 0.00 0.00 179.97 179.03 1j9k n GLU 244 N -4.56 0.27 -0.04 0.04 0.28 -0.99 -2.42 120.64 113.21 1j9k n GLU 244 Ca -0.10 0.00 -0.06 0.00 -0.16 0.00 0.00 57.16 56.84 1j9k n GLU 244 Cb 0.50 -1.29 -0.04 0.00 1.43 0.00 0.00 31.44 32.04 1j9k n GLU 244 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1j9k n VAL 245 N -0.79 0.49 0.00 3.84 0.31 -1.12 -5.02 118.33 116.03 1j9k n VAL 245 Ca 0.04 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1j9k n VAL 245 Cb 0.02 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.14 1j9k n VAL 245 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1j9k n TYR 246 N -2.70 0.00 0.00 3.52 4.02 -1.00 -5.12 117.16 115.88 1j9k n TYR 246 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 1j9k n TYR 246 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.99 1j9k n TYR 246 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45