#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j92 h LEU 8 N 0.00 0.70 -0.84 -2.12 5.85 -1.99 -1.41 115.31 115.50 2j92 h LEU 8 Ca 0.00 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.58 2j92 h LEU 8 Cb 0.00 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 2j92 h LEU 8 CO 0.00 0.72 0.51 -0.61 -0.34 0.00 0.00 178.44 178.72 2j92 h GLN 9 N 0.64 0.89 -0.45 1.25 4.15 -2.01 0.11 115.11 119.69 2j92 h GLN 9 Ca 0.15 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.46 2j92 h GLN 9 Cb 0.28 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 2j92 h GLN 9 CO -0.00 0.59 0.06 0.87 -1.93 0.00 0.00 178.83 178.42 2j92 h LYS 10 N 0.92 0.75 -0.37 1.69 1.57 -1.92 -0.03 116.57 119.18 2j92 h LYS 10 Ca 0.37 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2j92 h LYS 10 Cb 0.21 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2j92 h LYS 10 CO -0.19 0.78 0.23 0.52 -0.57 0.00 0.00 179.45 180.23 2j92 h MET 11 N 0.61 0.50 -0.59 3.15 2.86 -0.42 -1.55 114.93 119.49 2j92 h MET 11 Ca 0.13 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 2j92 h MET 11 Cb 0.40 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 2j92 h MET 11 CO 0.01 0.37 0.24 0.28 1.06 0.00 0.00 176.91 178.87 2j92 h VAL 12 N 0.49 1.22 -0.13 -2.22 2.07 -0.60 -1.99 116.25 115.09 2j92 h VAL 12 Ca 0.13 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 2j92 h VAL 12 Cb -0.01 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2j92 h VAL 12 CO -0.03 0.27 -0.07 -0.03 0.02 0.00 0.00 177.57 177.74 2j92 h MET 13 N 0.81 0.20 0.00 1.57 -1.53 -0.81 -1.00 114.93 114.17 2j92 h MET 13 Ca 0.20 -0.03 -0.05 0.00 -3.44 0.00 0.00 59.70 56.37 2j92 h MET 13 Cb 0.19 -0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.20 2j92 h MET 13 CO -0.02 0.28 -0.26 0.78 0.14 0.00 0.00 176.91 177.83 2j92 h GLY 14 N 0.56 0.00 0.05 1.39 0.00 -0.53 -2.79 103.07 101.76 2j92 h GLY 14 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2j92 h GLY 14 CO 0.01 0.00 -0.49 0.70 0.00 0.00 0.00 176.54 176.76 2j92 n ASN 15 N -3.88 1.16 -4.64 0.19 4.13 -0.45 -4.92 115.26 106.85 2j92 n ASN 15 Ca -0.02 -0.93 -0.40 0.00 1.68 0.00 0.00 54.58 54.91 2j92 n ASN 15 Cb 0.34 0.40 -0.06 0.00 -1.54 0.00 0.00 39.78 38.92 2j92 n ASN 15 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2j92 s THR 16 N -2.69 4.98 0.13 3.41 2.01 -0.80 -1.00 115.64 121.68 2j92 s THR 16 Ca 0.17 1.20 0.10 0.00 0.31 0.00 0.00 61.69 63.47 2j92 s THR 16 Cb 0.18 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 2j92 s THR 16 CO 0.63 0.05 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.85 2j92 s LYS 17 N 2.29 1.59 0.21 4.92 -0.14 -0.01 -4.84 119.74 123.77 2j92 s LYS 17 Ca 0.28 -1.28 -0.30 0.00 -1.36 0.00 0.00 55.97 53.32 2j92 s LYS 17 Cb -0.16 -2.00 -0.08 0.00 -1.68 0.00 0.00 37.83 33.91 2j92 s LYS 17 CO 0.09 0.46 0.99 -1.25 -0.76 0.00 0.00 175.35 174.88 2j92 s PRO 18 N -2.14 4.76 -0.09 -1.68 0.04 -1.07 -1.28 135.00 133.54 2j92 s PRO 18 Ca 0.16 1.56 0.04 0.00 0.04 0.00 0.00 61.00 62.80 2j92 s PRO 18 Cb -0.10 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.15 2j92 s PRO 18 CO 0.08 0.35 -0.21 0.08 0.04 0.00 0.00 177.00 177.35 2j92 s VAL 19 N -0.79 1.79 -0.18 -0.36 1.01 -0.10 -1.48 120.40 120.28 2j92 s VAL 19 Ca 0.44 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2j92 s VAL 19 Cb -0.27 -1.56 0.04 0.00 0.00 0.00 0.00 36.38 34.59 2j92 s VAL 19 CO 0.33 0.50 -0.09 -1.61 0.00 0.00 0.00 175.10 174.23 2j92 s GLU 20 N 0.38 1.86 -0.23 2.72 8.01 -0.70 -1.41 118.70 129.32 2j92 s GLU 20 Ca -0.16 -0.71 -0.20 0.00 0.01 0.00 0.00 54.97 53.91 2j92 s GLU 20 Cb -0.17 -2.25 -0.02 0.00 -4.31 0.00 0.00 34.13 27.38 2j92 s GLU 20 CO 0.07 -0.41 0.63 -0.51 0.01 0.00 0.00 175.26 175.05 2j92 s LEU 21 N 1.48 4.09 -0.10 1.80 1.43 0.07 -0.98 118.68 126.48 2j92 s LEU 21 Ca 0.00 0.75 -0.00 0.00 -1.03 0.00 0.00 54.13 53.85 2j92 s LEU 21 Cb -0.16 -2.86 -0.02 0.00 0.03 0.00 0.00 46.19 43.18 2j92 s LEU 21 CO -0.08 -0.33 -0.09 -0.63 0.23 0.00 0.00 176.35 175.44 2j92 s ILE 22 N 2.27 3.46 -0.31 -0.59 1.01 0.11 -1.17 121.20 125.99 2j92 s ILE 22 Ca 0.27 -0.54 -0.00 0.00 0.00 0.00 0.00 60.65 60.38 2j92 s ILE 22 Cb -0.16 -2.44 0.10 0.00 0.01 0.00 0.00 42.46 39.97 2j92 s ILE 22 CO 0.09 0.55 0.09 -0.22 0.00 0.00 0.00 174.94 175.45 2j92 s LEU 23 N -0.19 2.54 -0.78 2.97 2.96 0.78 -0.00 118.68 126.96 2j92 s LEU 23 Ca 0.02 -1.68 -0.04 0.00 -0.22 0.00 0.00 54.13 52.21 2j92 s LEU 23 Cb -0.13 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.56 2j92 s LEU 23 CO 0.03 -0.41 0.68 -0.90 -1.32 0.00 0.00 176.35 174.43 2j92 n ASP 24 N 4.77 -4.75 0.00 3.68 5.68 -1.26 -2.99 116.55 121.68 2j92 n ASP 24 Ca -0.02 -0.50 0.00 0.00 -0.50 0.00 0.00 54.79 53.77 2j92 n ASP 24 Cb 0.42 -3.91 0.00 0.00 -1.14 0.00 0.00 41.12 36.50 2j92 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2j92 n GLY 25 N -1.27 0.63 3.58 6.12 0.00 -1.26 -4.97 105.19 108.03 2j92 n GLY 25 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 2j92 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2j92 s LYS 26 N -0.42 2.73 -0.82 1.61 0.00 -1.16 -5.06 119.74 116.62 2j92 s LYS 26 Ca 0.00 -0.56 -0.25 0.00 0.00 0.00 0.00 55.97 55.16 2j92 s LYS 26 Cb 0.00 -2.58 0.05 0.00 0.00 0.00 0.00 37.83 35.30 2j92 s LYS 26 CO 0.00 0.66 1.28 0.99 0.00 0.00 0.00 175.35 178.28 2j92 s THR 27 N -0.82 3.93 -1.42 3.79 2.01 -1.26 -0.16 115.64 121.71 2j92 s THR 27 Ca 0.13 -0.16 0.30 0.00 0.31 0.00 0.00 61.69 62.26 2j92 s THR 27 Cb -0.11 -4.92 0.50 0.00 0.01 0.00 0.00 72.50 67.98 2j92 s THR 27 CO 0.02 -1.81 2.02 1.33 -0.69 0.00 0.00 174.62 175.49 2j92 n VAL 28 N 6.41 0.00 0.00 3.82 0.24 -0.32 -4.92 118.33 123.57 2j92 n VAL 28 Ca 0.12 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 2j92 n VAL 28 Cb 0.49 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 2j92 n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2j92 n ALA 29 N -1.27 0.00 -2.15 2.33 0.00 -1.20 -5.01 120.51 113.22 2j92 n ALA 29 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.48 2j92 n ALA 29 Cb 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.60 2j92 n ALA 29 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2j92 s ILE 30 N -2.00 0.56 0.00 0.00 -4.36 -1.26 -0.75 121.20 113.39 2j92 s ILE 30 Ca 0.00 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 2j92 s ILE 30 Cb 0.00 -1.67 0.00 0.00 1.25 0.00 0.00 42.46 42.04 2j92 s ILE 30 CO 0.00 -0.88 0.00 0.00 0.24 0.00 0.00 174.94 174.30 2j92 s ALA 33 N -2.52 0.79 -0.47 0.00 0.00 -0.41 -4.27 121.76 114.89 2j92 s ALA 33 Ca 0.33 -0.19 -0.15 0.00 0.00 0.00 0.00 51.96 51.95 2j92 s ALA 33 Cb -0.01 -0.76 0.07 0.00 0.00 0.00 0.00 23.12 22.42 2j92 s ALA 33 CO 0.18 -0.43 0.38 0.99 0.00 0.00 0.00 175.76 176.88 2j92 s THR 34 N 1.89 5.16 0.19 0.00 2.01 -0.49 -0.83 115.64 123.58 2j92 s THR 34 Ca 0.04 -1.08 -0.31 0.00 0.31 0.00 0.00 61.69 60.65 2j92 s THR 34 Cb -0.12 -4.08 -0.10 0.00 0.01 0.00 0.00 72.50 68.20 2j92 s THR 34 CO -0.05 -0.57 1.52 -0.83 -0.69 0.00 0.00 174.62 174.00 2j92 s GLY 35 N 2.55 1.82 -0.01 4.40 0.00 -0.17 -0.34 107.32 115.57 2j92 s GLY 35 Ca 0.04 1.35 0.06 0.00 0.00 0.00 0.00 44.72 46.17 2j92 s GLY 35 CO 0.06 2.52 0.12 3.33 0.00 0.00 0.00 173.10 179.13 2j92 n VAL 36 N 3.44 0.05 -3.65 1.40 0.24 -0.34 -4.81 118.33 114.66 2j92 n VAL 36 Ca 0.11 -0.15 -0.02 0.00 -2.04 0.00 0.00 64.34 62.24 2j92 n VAL 36 Cb 0.39 0.21 -0.02 0.00 -1.47 0.00 0.00 33.84 32.95 2j92 n VAL 36 CO 0.00 0.00 0.00 0.72 -2.14 0.00 0.00 176.83 175.41 2j92 s PHE 37 N -2.39 -0.01 0.00 6.34 -0.12 -1.22 -1.44 117.98 119.13 2j92 s PHE 37 Ca -0.02 0.01 0.00 0.00 -0.05 0.00 0.00 56.93 56.86 2j92 s PHE 37 Cb 0.04 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.93 2j92 s PHE 37 CO 0.25 -0.01 0.00 0.41 -0.05 0.00 0.00 175.22 175.82 2j92 n GLY 38 N 0.01 1.79 2.21 1.99 0.00 -1.25 0.21 105.19 110.15 2j92 n GLY 38 Ca 0.06 0.43 -0.19 0.00 0.00 0.00 0.00 46.02 46.32 2j92 n GLY 38 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2j92 n THR 39 N 0.00 2.25 -4.44 2.61 -2.24 -1.26 -0.32 114.28 110.88 2j92 n THR 39 Ca 0.00 -3.96 -0.34 0.00 -2.27 0.00 0.00 64.05 57.48 2j92 n THR 39 Cb 0.00 -0.62 -0.12 0.00 -2.10 0.00 0.00 70.33 67.49 2j92 n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2j92 s ALA 40 N -3.64 2.99 -0.05 6.98 0.00 0.13 -0.65 121.76 127.53 2j92 s ALA 40 Ca 0.46 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.61 2j92 s ALA 40 Cb 0.39 -1.51 0.01 0.00 0.00 0.00 0.00 23.12 22.01 2j92 s ALA 40 CO 0.02 0.26 -0.10 0.71 0.00 0.00 0.00 175.76 176.65 2j92 s TYR 41 N 0.23 1.14 0.07 0.00 1.51 0.25 -1.20 117.35 119.36 2j92 s TYR 41 Ca -0.03 -0.36 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 2j92 s TYR 41 Cb -0.14 -0.85 -0.06 0.00 -0.11 0.00 0.00 41.96 40.80 2j92 s TYR 41 CO 0.03 -0.19 1.15 -0.51 -1.11 0.00 0.00 175.55 174.92 2j92 s LEU 42 N 0.51 4.39 0.05 -1.29 1.43 0.54 -0.87 118.68 123.44 2j92 s LEU 42 Ca -0.09 1.97 -0.01 0.00 -1.03 0.00 0.00 54.13 54.97 2j92 s LEU 42 Cb -0.13 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 2j92 s LEU 42 CO 0.02 -0.40 -0.03 0.68 0.23 0.00 0.00 176.35 176.84 2j92 s VAL 43 N 0.85 0.27 -0.05 -1.59 -7.23 -0.00 -1.39 120.40 111.26 2j92 s VAL 43 Ca 0.56 -1.78 -0.30 0.00 -1.81 0.00 0.00 61.98 58.66 2j92 s VAL 43 Cb -0.28 -1.47 -0.05 0.00 0.56 0.00 0.00 36.38 35.13 2j92 s VAL 43 CO 0.30 -0.96 1.61 -2.84 -0.31 0.00 0.00 175.10 172.90 2j92 s PRO 44 N -3.77 4.19 0.12 4.82 0.02 -1.26 -1.29 135.00 137.83 2j92 s PRO 44 Ca 0.06 2.15 -0.15 0.00 0.02 0.00 0.00 61.00 63.08 2j92 s PRO 44 Cb 0.07 -3.92 -0.03 0.00 0.02 0.00 0.00 34.50 30.64 2j92 s PRO 44 CO -0.09 -0.81 1.57 -0.09 -0.33 0.00 0.00 177.00 177.25 2j92 h ARG 45 N 9.25 0.66 0.00 5.54 2.43 -0.56 -2.24 114.38 129.45 2j92 h ARG 45 Ca -0.38 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 2j92 h ARG 45 Cb 1.17 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2j92 h ARG 45 CO 0.95 0.76 0.12 1.12 -1.51 0.00 0.00 179.97 181.41 2j92 h HIS 46 N 0.48 0.00 0.02 2.20 2.07 -1.91 -1.81 115.15 116.19 2j92 h HIS 46 Ca 0.11 0.00 -0.39 0.00 -2.85 0.00 0.00 60.37 57.23 2j92 h HIS 46 Cb 0.46 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.37 2j92 h HIS 46 CO 0.04 0.00 -2.41 1.28 -3.07 0.00 0.00 177.93 173.77 2j92 n LEU 47 N -2.29 2.80 -1.96 6.12 4.77 -1.02 -4.40 117.00 121.02 2j92 n LEU 47 Ca -0.01 -0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.83 2j92 n LEU 47 Cb 0.15 -0.93 -0.15 0.00 -2.33 0.00 0.00 43.42 40.16 2j92 n LEU 47 CO 0.09 0.87 1.55 0.49 -1.33 0.00 0.00 177.39 179.07 2j92 n PHE 48 N -3.43 0.00 -2.66 -1.77 3.01 -0.68 -3.17 117.46 108.76 2j92 n PHE 48 Ca -0.45 -1.44 -0.02 0.00 1.01 0.00 0.00 57.45 56.55 2j92 n PHE 48 Cb 0.98 -1.49 0.12 0.00 -0.01 0.00 0.00 39.48 39.08 2j92 n PHE 48 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2j92 n ALA 49 N 2.42 2.91 -3.03 4.37 0.00 -1.22 -4.97 120.51 120.99 2j92 n ALA 49 Ca 0.39 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2j92 n ALA 49 Cb 0.87 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.51 2j92 n ALA 49 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2j92 n GLU 50 N -1.44 1.48 -3.09 0.00 1.02 -1.19 -5.07 120.64 112.35 2j92 n GLU 50 Ca -0.17 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.54 2j92 n GLU 50 Cb 0.87 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 32.23 2j92 n GLU 50 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2j92 s GLN 51 N 0.80 3.20 -0.00 3.49 -1.52 -1.26 -5.04 119.66 119.33 2j92 s GLN 51 Ca 0.00 -0.63 0.03 0.00 -1.95 0.00 0.00 55.36 52.81 2j92 s GLN 51 Cb 0.00 -4.04 -0.01 0.00 -0.22 0.00 0.00 33.01 28.74 2j92 s GLN 51 CO 0.00 -1.19 -0.09 0.71 -0.25 0.00 0.00 175.29 174.47 2j92 s TYR 52 N 2.89 0.85 -0.13 0.91 4.12 -1.26 -4.48 117.35 120.25 2j92 s TYR 52 Ca 0.20 -0.17 0.12 0.00 0.02 0.00 0.00 57.07 57.23 2j92 s TYR 52 Cb -0.16 -0.54 -0.17 0.00 -1.52 0.00 0.00 41.96 39.57 2j92 s TYR 52 CO 0.15 -0.01 0.06 -0.25 0.02 0.00 0.00 175.55 175.52 2j92 n ASP 53 N 2.78 1.72 -3.83 2.29 8.00 1.00 -4.96 116.55 123.55 2j92 n ASP 53 Ca -0.14 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.24 2j92 n ASP 53 Cb 0.57 0.87 -0.12 0.00 -0.02 0.00 0.00 41.12 42.42 2j92 n ASP 53 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2j92 s LYS 54 N -2.36 0.20 -0.24 -1.24 -0.14 -0.99 -4.71 119.74 110.27 2j92 s LYS 54 Ca -0.06 0.11 0.01 0.00 -1.36 0.00 0.00 55.97 54.67 2j92 s LYS 54 Cb 0.04 0.09 0.04 0.00 -1.68 0.00 0.00 37.83 36.33 2j92 s LYS 54 CO 0.55 -0.03 -0.12 0.42 -0.76 0.00 0.00 175.35 175.41 2j92 s ILE 55 N -0.11 2.30 -0.34 2.17 -1.09 0.15 -0.71 121.20 123.57 2j92 s ILE 55 Ca -0.02 -1.34 -0.19 0.00 -2.23 0.00 0.00 60.65 56.87 2j92 s ILE 55 Cb -0.02 -2.22 -0.01 0.00 -1.58 0.00 0.00 42.46 38.63 2j92 s ILE 55 CO 0.00 0.15 0.55 -0.04 -1.23 0.00 0.00 174.94 174.38 2j92 s MET 56 N 1.20 3.71 -0.32 2.79 -1.94 -0.15 -0.87 119.30 123.71 2j92 s MET 56 Ca -0.04 -0.01 -0.01 0.00 -1.71 0.00 0.00 55.69 53.92 2j92 s MET 56 Cb -0.18 -3.78 0.07 0.00 2.01 0.00 0.00 34.83 32.95 2j92 s MET 56 CO -0.07 -0.62 0.04 -1.17 -0.01 0.00 0.00 175.02 173.19 2j92 s LEU 57 N 2.48 4.24 -1.47 -0.03 2.96 -0.15 -1.73 118.68 124.97 2j92 s LEU 57 Ca 0.21 -1.51 -0.11 0.00 -0.22 0.00 0.00 54.13 52.49 2j92 s LEU 57 Cb -0.15 -1.72 0.07 0.00 0.50 0.00 0.00 46.19 44.88 2j92 s LEU 57 CO 0.13 -0.33 0.81 -0.67 -1.32 0.00 0.00 176.35 174.97 2j92 n ASP 58 N 4.58 -4.79 0.00 3.68 2.03 -0.55 -1.04 116.55 120.45 2j92 n ASP 58 Ca -0.09 -0.60 0.00 0.00 0.52 0.00 0.00 54.79 54.62 2j92 n ASP 58 Cb 0.43 -3.86 0.00 0.00 -0.72 0.00 0.00 41.12 36.97 2j92 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2j92 n GLY 59 N -1.54 1.17 3.61 0.27 0.00 -1.26 -5.02 105.19 102.41 2j92 n GLY 59 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2j92 n GLY 59 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2j92 s ARG 60 N -0.60 4.00 -0.29 1.61 3.52 -0.21 -5.04 118.95 121.94 2j92 s ARG 60 Ca 0.00 0.29 -0.27 0.00 -0.13 0.00 0.00 55.73 55.62 2j92 s ARG 60 Cb 0.00 -3.68 0.01 0.00 -1.56 0.00 0.00 34.95 29.72 2j92 s ARG 60 CO 0.00 -0.43 0.95 0.00 -0.81 0.00 0.00 175.30 175.02 2j92 s ALA 61 N 2.39 3.56 0.39 6.12 0.00 -1.26 -0.98 121.76 131.98 2j92 s ALA 61 Ca 0.22 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.09 2j92 s ALA 61 Cb -0.15 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.42 2j92 s ALA 61 CO 0.10 -1.25 0.04 -1.64 0.00 0.00 0.00 175.76 173.01 2j92 s MET 62 N 3.26 1.87 0.47 0.00 1.00 -0.05 -4.94 119.30 120.91 2j92 s MET 62 Ca 0.40 -2.09 0.02 0.00 0.00 0.00 0.00 55.69 54.03 2j92 s MET 62 Cb -0.14 -1.18 -0.01 0.00 0.00 0.00 0.00 34.83 33.50 2j92 s MET 62 CO 0.12 -0.21 0.08 0.95 0.00 0.00 0.00 175.02 175.96 2j92 s THR 63 N -3.03 0.73 -0.78 2.05 -4.23 -1.26 -0.68 115.64 108.44 2j92 s THR 63 Ca 0.30 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.96 2j92 s THR 63 Cb 0.07 -2.18 0.14 0.00 1.34 0.00 0.00 72.50 71.88 2j92 s THR 63 CO 0.14 0.00 1.47 -0.90 -0.54 0.00 0.00 174.62 174.79 2j92 n ASP 64 N -1.39 0.23 -0.18 3.99 5.75 -1.26 -2.26 116.55 121.44 2j92 n ASP 64 Ca -0.13 0.57 0.15 0.00 -0.01 0.00 0.00 54.79 55.37 2j92 n ASP 64 Cb 0.66 -0.62 0.67 0.00 -1.03 0.00 0.00 41.12 40.80 2j92 n ASP 64 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2j92 n SER 65 N -1.77 0.62 -1.03 -1.12 7.64 -1.26 -3.63 113.62 113.07 2j92 n SER 65 Ca 0.02 -0.91 0.12 0.00 1.01 0.00 0.00 58.87 59.10 2j92 n SER 65 Cb 0.14 -0.03 0.23 0.00 -1.01 0.00 0.00 64.21 63.54 2j92 n SER 65 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2j92 n ASP 66 N -0.68 3.10 -3.71 6.43 8.00 -0.96 -4.97 116.55 123.76 2j92 n ASP 66 Ca 0.18 -1.95 -0.05 0.00 0.71 0.00 0.00 54.79 53.68 2j92 n ASP 66 Cb 0.26 -0.19 -0.01 0.00 -0.02 0.00 0.00 41.12 41.16 2j92 n ASP 66 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2j92 s TYR 67 N -1.63 -0.12 -0.03 1.24 -0.85 -1.24 -2.15 117.35 112.57 2j92 s TYR 67 Ca 0.36 -0.27 0.05 0.00 -0.52 0.00 0.00 57.07 56.69 2j92 s TYR 67 Cb 0.22 0.68 -0.01 0.00 0.38 0.00 0.00 41.96 43.23 2j92 s TYR 67 CO 0.31 -1.03 -0.19 1.03 -1.52 0.00 0.00 175.55 174.14 2j92 s ARG 68 N -3.37 1.83 -0.30 -3.49 0.52 0.45 -4.93 118.95 109.66 2j92 s ARG 68 Ca 0.13 -0.69 -0.06 0.00 -0.52 0.00 0.00 55.73 54.59 2j92 s ARG 68 Cb -0.03 -1.64 0.02 0.00 0.52 0.00 0.00 34.95 33.82 2j92 s ARG 68 CO 0.05 0.33 0.07 0.08 0.02 0.00 0.00 175.30 175.85 2j92 s VAL 69 N -0.18 3.77 -0.08 3.52 1.01 -1.26 0.32 120.40 127.49 2j92 s VAL 69 Ca 0.01 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 2j92 s VAL 69 Cb -0.10 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 2j92 s VAL 69 CO 0.01 0.03 0.24 -0.36 0.00 0.00 0.00 175.10 175.02 2j92 s PHE 70 N 1.45 3.63 -0.11 5.22 0.40 0.55 -4.92 117.98 124.20 2j92 s PHE 70 Ca 0.01 0.68 0.00 0.00 -0.60 0.00 0.00 56.93 57.03 2j92 s PHE 70 Cb -0.18 -2.08 -0.02 0.00 0.51 0.00 0.00 43.02 41.25 2j92 s PHE 70 CO 0.02 0.67 -0.11 -1.21 0.70 0.00 0.00 175.22 175.28 2j92 s GLU 71 N -0.93 3.12 0.07 0.44 2.02 -1.26 -0.22 118.70 121.95 2j92 s GLU 71 Ca 0.18 -0.65 -0.23 0.00 0.02 0.00 0.00 54.97 54.29 2j92 s GLU 71 Cb -0.14 -2.60 -0.06 0.00 0.10 0.00 0.00 34.13 31.43 2j92 s GLU 71 CO 0.07 0.38 0.68 -0.06 0.02 0.00 0.00 175.26 176.35 2j92 s PHE 72 N -0.07 3.79 -0.24 1.61 0.40 -1.26 -5.02 117.98 117.19 2j92 s PHE 72 Ca -0.01 1.41 0.00 0.00 -0.60 0.00 0.00 56.93 57.73 2j92 s PHE 72 Cb -0.14 -2.68 0.04 0.00 0.51 0.00 0.00 43.02 40.75 2j92 s PHE 72 CO 0.03 0.43 -0.10 -2.00 0.70 0.00 0.00 175.22 174.28 2j92 s GLU 73 N -0.62 2.62 0.17 0.44 2.12 -1.26 -1.65 118.70 120.51 2j92 s GLU 73 Ca 0.34 -1.11 0.07 0.00 0.36 0.00 0.00 54.97 54.63 2j92 s GLU 73 Cb -0.20 -2.89 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 2j92 s GLU 73 CO 0.22 -0.44 -0.02 0.96 -0.54 0.00 0.00 175.26 175.43 2j92 s ILE 74 N 1.23 3.64 -0.23 -3.70 -4.36 0.12 -4.91 121.20 113.00 2j92 s ILE 74 Ca -0.03 -1.43 -0.15 0.00 -0.26 0.00 0.00 60.65 58.79 2j92 s ILE 74 Cb -0.17 -2.82 -0.04 0.00 1.25 0.00 0.00 42.46 40.68 2j92 s ILE 74 CO -0.06 -0.09 0.36 -1.59 0.24 0.00 0.00 174.94 173.80 2j92 s LYS 75 N -2.86 4.11 -0.35 0.37 0.00 -1.26 0.57 119.74 120.32 2j92 s LYS 75 Ca 0.27 0.09 0.01 0.00 0.00 0.00 0.00 55.97 56.34 2j92 s LYS 75 Cb -0.09 -3.57 0.10 0.00 0.00 0.00 0.00 37.83 34.26 2j92 s LYS 75 CO 0.18 -0.09 0.08 0.08 0.00 0.00 0.00 175.35 175.60 2j92 s VAL 76 N 1.49 2.65 -1.29 1.79 1.01 0.97 -4.70 120.40 122.31 2j92 s VAL 76 Ca 0.16 -2.13 -0.07 0.00 0.00 0.00 0.00 61.98 59.94 2j92 s VAL 76 Cb -0.15 -2.85 0.01 0.00 0.00 0.00 0.00 36.38 33.39 2j92 s VAL 76 CO 0.08 -0.55 1.12 0.29 0.00 0.00 0.00 175.10 176.04 2j92 n LYS 77 N 4.40 -7.51 0.00 2.72 4.76 -1.26 -2.17 118.16 119.10 2j92 n LYS 77 Ca -0.01 0.82 0.00 0.00 -2.87 0.00 0.00 58.31 56.25 2j92 n LYS 77 Cb 0.42 -5.82 0.00 0.00 -1.84 0.00 0.00 35.03 27.79 2j92 n LYS 77 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2j92 n GLY 78 N -1.78 2.61 3.61 0.72 0.00 -1.26 -5.01 105.19 104.08 2j92 n GLY 78 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 2j92 n GLY 78 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2j92 s GLN 79 N -0.38 3.97 -0.05 1.61 0.00 -0.92 -5.06 119.66 118.83 2j92 s GLN 79 Ca 0.00 -0.32 -0.30 0.00 -0.00 0.00 0.00 55.36 54.74 2j92 s GLN 79 Cb 0.00 -3.48 -0.04 0.00 0.00 0.00 0.00 33.01 29.49 2j92 s GLN 79 CO 0.00 0.02 1.35 -0.51 0.00 0.00 0.00 175.29 176.14 2j92 s ASP 80 N 1.15 6.90 0.14 12.60 1.01 -1.26 -0.02 116.67 137.19 2j92 s ASP 80 Ca 0.06 1.96 0.07 0.00 0.71 0.00 0.00 52.55 55.35 2j92 s ASP 80 Cb -0.14 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 2j92 s ASP 80 CO 0.05 -0.72 -0.16 -0.04 0.21 0.00 0.00 175.17 174.52 2j92 s MET 81 N 2.75 1.13 -0.12 8.23 -1.94 0.19 -4.93 119.30 124.61 2j92 s MET 81 Ca 0.61 -1.32 -0.22 0.00 -1.71 0.00 0.00 55.69 53.05 2j92 s MET 81 Cb -0.28 -1.07 -0.03 0.00 2.01 0.00 0.00 34.83 35.46 2j92 s MET 81 CO 0.23 0.21 0.63 -1.17 -0.01 0.00 0.00 175.02 174.91 2j92 s LEU 82 N -2.57 4.25 0.40 -0.03 2.96 -1.26 -0.71 118.68 121.72 2j92 s LEU 82 Ca 0.12 1.00 -0.24 0.00 -0.22 0.00 0.00 54.13 54.80 2j92 s LEU 82 Cb -0.05 -2.95 -0.09 0.00 0.50 0.00 0.00 46.19 43.60 2j92 s LEU 82 CO 0.04 -0.15 1.03 -0.55 -1.32 0.00 0.00 176.35 175.41 2j92 s SER 83 N 0.89 6.80 0.00 3.68 0.15 -0.66 -4.30 113.70 120.25 2j92 s SER 83 Ca 0.32 1.97 0.27 0.00 0.70 0.00 0.00 55.95 59.22 2j92 s SER 83 Cb -0.16 -2.58 1.32 0.00 -1.71 0.00 0.00 66.02 62.89 2j92 s SER 83 CO 0.14 -0.46 1.91 -0.67 1.20 0.00 0.00 173.24 175.36 2j92 n ASP 84 N -0.14 0.00 -4.49 5.45 2.03 -1.26 -4.55 116.55 113.59 2j92 n ASP 84 Ca 0.05 0.02 -0.43 0.00 0.52 0.00 0.00 54.79 54.95 2j92 n ASP 84 Cb 0.50 -0.33 -0.09 0.00 -0.72 0.00 0.00 41.12 40.48 2j92 n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2j92 s ALA 85 N -2.65 3.46 0.34 -1.67 0.00 -1.26 0.20 121.76 120.17 2j92 s ALA 85 Ca 0.23 -1.54 0.08 0.00 0.00 0.00 0.00 51.96 50.73 2j92 s ALA 85 Cb 0.18 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 2j92 s ALA 85 CO 0.43 -1.44 0.12 0.00 0.00 0.00 0.00 175.76 174.88 2j92 s ALA 86 N 1.93 3.46 -0.26 0.00 0.00 -0.41 -4.13 121.76 122.34 2j92 s ALA 86 Ca 0.09 -1.83 -0.01 0.00 0.00 0.00 0.00 51.96 50.21 2j92 s ALA 86 Cb -0.18 -0.70 0.04 0.00 0.00 0.00 0.00 23.12 22.28 2j92 s ALA 86 CO 0.12 0.05 -0.06 -1.17 0.00 0.00 0.00 175.76 174.70 2j92 s LEU 87 N -3.83 3.37 -0.30 0.00 2.96 0.70 -0.82 118.68 120.76 2j92 s LEU 87 Ca 0.37 -1.06 -0.17 0.00 -0.22 0.00 0.00 54.13 53.05 2j92 s LEU 87 Cb -0.02 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 2j92 s LEU 87 CO 0.22 -0.17 0.49 -0.32 -1.32 0.00 0.00 176.35 175.25 2j92 s MET 88 N 1.26 3.89 -0.29 1.98 -2.45 -0.05 -0.33 119.30 123.32 2j92 s MET 88 Ca -0.03 0.09 -0.03 0.00 -1.25 0.00 0.00 55.69 54.47 2j92 s MET 88 Cb -0.18 -3.71 0.03 0.00 1.25 0.00 0.00 34.83 32.22 2j92 s MET 88 CO -0.04 -0.45 0.01 0.08 1.05 0.00 0.00 175.02 175.67 2j92 s VAL 89 N 2.30 3.28 0.10 10.11 1.01 0.15 -0.58 120.40 136.77 2j92 s VAL 89 Ca 0.19 -1.07 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 2j92 s VAL 89 Cb -0.16 -2.76 -0.06 0.00 0.00 0.00 0.00 36.38 33.40 2j92 s VAL 89 CO 0.11 0.03 1.12 -0.76 0.00 0.00 0.00 175.10 175.60 2j92 s LEU 90 N 1.35 4.43 0.36 3.92 1.43 0.18 -0.41 118.68 129.94 2j92 s LEU 90 Ca -0.01 1.99 0.03 0.00 -1.03 0.00 0.00 54.13 55.11 2j92 s LEU 90 Cb -0.18 -3.59 0.67 0.00 0.03 0.00 0.00 46.19 43.12 2j92 s LEU 90 CO -0.01 -0.32 1.99 0.45 0.23 0.00 0.00 176.35 178.70 2j92 h HIS 91 N 6.02 0.70 -3.91 0.29 3.86 -1.76 -3.45 115.15 116.92 2j92 h HIS 91 Ca -0.43 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 58.67 2j92 h HIS 91 Cb 1.21 -0.23 -0.16 0.00 1.06 0.00 0.00 27.41 29.29 2j92 h HIS 91 CO 0.65 0.48 -0.51 0.50 0.86 0.00 0.00 177.93 179.91 2j92 s ARG 92 N -5.54 0.68 0.00 2.45 3.00 -1.26 -5.09 118.95 113.19 2j92 s ARG 92 Ca -0.09 -0.94 0.00 0.00 -1.00 0.00 0.00 55.73 53.70 2j92 s ARG 92 Cb 0.17 0.27 0.00 0.00 0.00 0.00 0.00 34.95 35.39 2j92 s ARG 92 CO 0.76 -0.18 0.00 0.41 0.00 0.00 0.00 175.30 176.29 2j92 n GLY 93 N 0.31 2.82 3.73 8.12 0.00 -1.26 -5.07 105.19 113.84 2j92 n GLY 93 Ca -0.16 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 2j92 n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2j92 s ASN 94 N 0.00 6.65 0.48 1.61 0.01 -1.26 -4.91 114.94 117.51 2j92 s ASN 94 Ca 0.00 2.60 -0.23 0.00 -0.71 0.00 0.00 52.86 54.52 2j92 s ASN 94 Cb 0.00 -2.61 -0.07 0.00 0.41 0.00 0.00 41.25 38.99 2j92 s ASN 94 CO 0.00 -0.75 1.23 -1.59 -1.51 0.00 0.00 177.10 174.48 2j92 s LYS 95 N 0.50 3.57 0.30 -0.60 -2.85 -1.26 -4.79 119.74 114.60 2j92 s LYS 95 Ca 0.65 1.94 0.08 0.00 -1.00 0.00 0.00 55.97 57.63 2j92 s LYS 95 Cb -0.42 -2.38 -0.03 0.00 -2.06 0.00 0.00 37.83 32.94 2j92 s LYS 95 CO 0.36 -0.75 0.20 0.14 0.10 0.00 0.00 175.35 175.41 2j92 s VAL 96 N -1.46 3.80 0.33 1.79 -7.23 0.57 -5.00 120.40 113.20 2j92 s VAL 96 Ca 0.66 -1.48 -0.29 0.00 -1.81 0.00 0.00 61.98 59.06 2j92 s VAL 96 Cb -0.33 -3.20 -0.10 0.00 0.56 0.00 0.00 36.38 33.31 2j92 s VAL 96 CO 0.39 -0.26 1.28 -0.60 -0.31 0.00 0.00 175.10 175.60 2j92 s ARG 97 N -3.88 4.38 -0.44 4.82 3.52 -1.26 -3.77 118.95 122.31 2j92 s ARG 97 Ca 0.36 2.15 -0.29 0.00 -0.13 0.00 0.00 55.73 57.83 2j92 s ARG 97 Cb -0.06 -3.07 0.02 0.00 -1.56 0.00 0.00 34.95 30.28 2j92 s ARG 97 CO 0.25 -0.15 1.24 0.34 -0.81 0.00 0.00 175.30 176.17 2j92 s ASP 98 N -0.56 6.54 -0.10 -2.12 -1.08 -1.26 -3.97 116.67 114.12 2j92 s ASP 98 Ca 0.49 0.63 0.14 0.00 -0.52 0.00 0.00 52.55 53.29 2j92 s ASP 98 Cb -0.39 -2.55 0.24 0.00 -1.46 0.00 0.00 42.92 38.76 2j92 s ASP 98 CO 0.51 -1.30 1.13 2.30 0.52 0.00 0.00 175.17 178.33 2j92 n ILE 99 N 6.88 1.68 0.26 4.11 -5.35 -0.52 -4.74 119.36 121.67 2j92 n ILE 99 Ca 0.14 -1.92 0.09 0.00 -0.27 0.00 0.00 62.75 60.78 2j92 n ILE 99 Cb 0.48 -0.05 0.65 0.00 -1.74 0.00 0.00 39.64 38.98 2j92 n ILE 99 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 2j92 h THR 100 N 0.15 0.93 0.00 7.28 1.35 -1.89 -1.65 112.91 119.07 2j92 h THR 100 Ca 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 2j92 h THR 100 Cb 0.90 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2j92 h THR 100 CO 0.01 0.06 0.00 2.29 -0.25 0.00 0.00 175.52 177.64 2j92 n LYS 101 N -4.29 0.37 0.00 4.72 2.85 -1.26 -2.13 118.16 118.42 2j92 n LYS 101 Ca -0.03 0.07 0.13 0.00 -1.05 0.00 0.00 58.31 57.43 2j92 n LYS 101 Cb 0.15 -1.50 0.28 0.00 -0.65 0.00 0.00 35.03 33.31 2j92 n LYS 101 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2j92 n HIS 102 N -1.18 0.00 -2.51 5.58 8.25 -0.62 -4.89 115.22 119.85 2j92 n HIS 102 Ca 0.10 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.33 2j92 n HIS 102 Cb 0.11 -0.02 0.04 0.00 1.12 0.00 0.00 29.99 31.24 2j92 n HIS 102 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2j92 s PHE 103 N -2.18 2.92 0.23 4.41 0.40 -0.91 -1.11 117.98 121.74 2j92 s PHE 103 Ca 0.29 0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.80 2j92 s PHE 103 Cb 0.20 -2.86 -0.05 0.00 0.51 0.00 0.00 43.02 40.82 2j92 s PHE 103 CO 0.40 -1.01 0.11 1.03 0.70 0.00 0.00 175.22 176.45 2j92 s ARG 104 N -4.91 1.30 -0.06 0.44 1.81 -1.26 -4.55 118.95 111.72 2j92 s ARG 104 Ca 0.57 -1.69 -0.02 0.00 -1.72 0.00 0.00 55.73 52.87 2j92 s ARG 104 Cb -0.10 -0.03 -0.03 0.00 -0.45 0.00 0.00 34.95 34.34 2j92 s ARG 104 CO 0.41 -0.33 -0.07 -0.25 -0.68 0.00 0.00 175.30 174.38 2j92 n ASP 105 N -0.37 1.55 -2.42 0.23 8.00 -1.26 -1.75 116.55 120.53 2j92 n ASP 105 Ca 0.01 0.03 -0.28 0.00 0.71 0.00 0.00 54.79 55.26 2j92 n ASP 105 Cb 0.66 -0.14 0.01 0.00 -0.02 0.00 0.00 41.12 41.63 2j92 n ASP 105 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2j92 n THR 106 N -3.04 2.55 -2.91 -3.53 -2.24 -1.26 -5.00 114.28 98.85 2j92 n THR 106 Ca -0.11 -4.67 -0.36 0.00 -2.27 0.00 0.00 64.05 56.64 2j92 n THR 106 Cb 0.59 -1.24 -0.06 0.00 -2.10 0.00 0.00 70.33 67.52 2j92 n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2j92 s ALA 107 N -3.61 3.27 -0.08 6.98 0.00 -1.26 -5.06 121.76 122.00 2j92 s ALA 107 Ca 0.49 0.37 0.04 0.00 0.00 0.00 0.00 51.96 52.87 2j92 s ALA 107 Cb 0.41 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.49 2j92 s ALA 107 CO -0.16 0.23 -0.21 1.03 0.00 0.00 0.00 175.76 176.65 2j92 s ARG 108 N -2.13 2.55 -0.21 0.00 1.81 -1.26 -5.11 118.95 114.60 2j92 s ARG 108 Ca 0.48 -0.76 -0.05 0.00 -1.72 0.00 0.00 55.73 53.68 2j92 s ARG 108 Cb -0.17 -2.01 -0.02 0.00 -0.45 0.00 0.00 34.95 32.30 2j92 s ARG 108 CO 0.22 0.20 -0.01 -1.64 -0.68 0.00 0.00 175.30 173.39 2j92 s MET 109 N 0.27 3.56 -0.14 3.54 -1.94 -1.26 -4.53 119.30 118.80 2j92 s MET 109 Ca -0.13 -0.55 -0.29 0.00 -1.71 0.00 0.00 55.69 53.01 2j92 s MET 109 Cb -0.16 -3.08 -0.01 0.00 2.01 0.00 0.00 34.83 33.59 2j92 s MET 109 CO 0.06 -0.05 1.15 -1.59 -0.01 0.00 0.00 175.02 174.58 2j92 s LYS 110 N 1.16 4.30 0.09 2.03 0.00 -1.26 -4.95 119.74 121.11 2j92 s LYS 110 Ca 0.03 1.54 -0.37 0.00 0.00 0.00 0.00 55.97 57.18 2j92 s LYS 110 Cb -0.14 -3.64 -0.17 0.00 0.00 0.00 0.00 37.83 33.87 2j92 s LYS 110 CO 0.01 -0.55 1.28 1.17 0.00 0.00 0.00 175.35 177.26 2j92 n LYS 111 N 5.88 1.01 -0.01 1.78 4.81 -1.26 -1.50 118.16 128.87 2j92 n LYS 111 Ca 0.12 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 2j92 n LYS 111 Cb 0.46 -1.97 0.00 0.00 0.02 0.00 0.00 35.03 33.54 2j92 n LYS 111 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2j92 n GLY 112 N 2.34 0.79 3.85 3.14 0.00 0.11 -4.95 105.19 110.47 2j92 n GLY 112 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 2j92 n GLY 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2j92 s THR 113 N -2.28 4.50 0.19 2.61 -4.23 -0.56 -4.57 115.64 111.30 2j92 s THR 113 Ca 0.00 0.88 -0.33 0.00 -1.18 0.00 0.00 61.69 61.06 2j92 s THR 113 Cb 0.00 -3.73 -0.14 0.00 1.34 0.00 0.00 72.50 69.97 2j92 s THR 113 CO 0.00 -1.00 1.45 -2.65 -0.54 0.00 0.00 174.62 171.88 2j92 n PRO 114 N -2.65 1.93 -4.53 3.99 -0.02 -1.26 -1.77 135.00 130.70 2j92 n PRO 114 Ca 0.07 0.69 -0.22 0.00 -2.02 0.00 0.00 63.50 62.02 2j92 n PRO 114 Cb 0.54 -2.38 -0.14 0.00 -0.02 0.00 0.00 33.50 31.50 2j92 n PRO 114 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2j92 s VAL 115 N 0.37 1.18 -0.08 -1.45 1.01 -0.36 -3.89 120.40 117.18 2j92 s VAL 115 Ca 0.74 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2j92 s VAL 115 Cb -0.71 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 34.67 2j92 s VAL 115 CO 0.45 0.17 -0.07 -0.69 0.00 0.00 0.00 175.10 174.96 2j92 s VAL 116 N -0.61 0.85 -0.17 2.92 1.01 0.13 -1.78 120.40 122.75 2j92 s VAL 116 Ca 0.04 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 2j92 s VAL 116 Cb -0.07 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2j92 s VAL 116 CO 0.00 0.32 0.12 -0.83 0.00 0.00 0.00 175.10 174.72 2j92 s GLY 117 N 1.39 2.06 -0.25 4.51 0.00 0.16 0.38 107.32 115.57 2j92 s GLY 117 Ca -0.02 -0.68 -0.07 0.00 0.00 0.00 0.00 44.72 43.95 2j92 s GLY 117 CO -0.04 -0.08 0.06 0.14 0.00 0.00 0.00 173.10 173.19 2j92 s VAL 118 N -0.17 4.22 0.10 1.40 1.01 0.33 -1.59 120.40 125.70 2j92 s VAL 118 Ca 0.10 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 61.94 2j92 s VAL 118 Cb -0.12 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 2j92 s VAL 118 CO 0.00 0.33 -0.23 -0.69 0.00 0.00 0.00 175.10 174.52 2j92 s VAL 119 N 1.60 1.87 -0.35 2.92 1.01 0.47 -3.35 120.40 124.56 2j92 s VAL 119 Ca 0.06 -1.55 0.07 0.00 0.00 0.00 0.00 61.98 60.56 2j92 s VAL 119 Cb -0.15 -1.67 0.19 0.00 0.00 0.00 0.00 36.38 34.74 2j92 s VAL 119 CO 0.03 0.03 0.62 0.21 0.00 0.00 0.00 175.10 175.99 2j92 s ASN 120 N -1.83 -1.57 0.29 3.32 2.47 -1.24 -0.92 114.94 115.46 2j92 s ASN 120 Ca 0.09 -0.31 0.05 0.00 0.42 0.00 0.00 52.86 53.10 2j92 s ASN 120 Cb -0.10 1.99 -0.03 0.00 -1.45 0.00 0.00 41.25 41.66 2j92 s ASN 120 CO 0.04 -0.23 0.23 0.54 -3.72 0.00 0.00 177.10 173.97 2j92 s ASN 121 N 2.32 1.18 0.43 -4.21 2.20 -1.05 -2.58 114.94 113.23 2j92 s ASN 121 Ca 0.13 -1.64 0.30 0.00 -0.94 0.00 0.00 52.86 50.71 2j92 s ASN 121 Cb -0.07 0.50 1.29 0.00 -2.00 0.00 0.00 41.25 40.98 2j92 s ASN 121 CO -0.16 -1.00 1.89 0.00 -2.94 0.00 0.00 177.10 174.89 2j92 h ALA 122 N 2.29 1.00 0.00 3.54 0.00 -1.88 -0.32 119.26 123.89 2j92 h ALA 122 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2j92 h ALA 122 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2j92 h ALA 122 CO 0.42 0.00 -0.09 0.22 0.00 0.00 0.00 179.25 179.80 2j92 h ASP 123 N 0.00 0.00 -0.06 0.00 3.58 -1.97 -3.41 116.42 114.56 2j92 h ASP 123 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2j92 h ASP 123 Cb 0.38 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2j92 h ASP 123 CO 0.00 0.39 0.00 1.33 -2.88 0.00 0.00 179.24 178.08 2j92 n VAL 124 N -3.92 0.06 -4.44 2.25 0.24 -1.25 -5.09 118.33 106.18 2j92 n VAL 124 Ca -0.01 -0.53 0.00 0.00 -2.04 0.00 0.00 64.34 61.76 2j92 n VAL 124 Cb 0.05 1.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.77 2j92 n VAL 124 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2j92 n GLY 125 N 1.13 0.23 3.64 7.63 0.00 -0.13 -4.58 105.19 113.11 2j92 n GLY 125 Ca 0.12 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 2j92 n GLY 125 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2j92 s ARG 126 N 0.00 4.10 0.06 1.61 0.52 -1.26 -2.52 118.95 121.46 2j92 s ARG 126 Ca 0.00 1.05 -0.07 0.00 -0.52 0.00 0.00 55.73 56.19 2j92 s ARG 126 Cb 0.00 -3.71 -0.01 0.00 0.52 0.00 0.00 34.95 31.75 2j92 s ARG 126 CO 0.00 -0.77 0.13 -1.17 0.02 0.00 0.00 175.30 173.51 2j92 s LEU 127 N 3.37 1.67 -0.03 2.53 0.20 -0.10 -4.99 118.68 121.34 2j92 s LEU 127 Ca 0.42 -0.63 0.05 0.00 0.69 0.00 0.00 54.13 54.66 2j92 s LEU 127 Cb -0.13 0.79 -0.01 0.00 -0.43 0.00 0.00 46.19 46.41 2j92 s LEU 127 CO 0.12 -0.63 -0.17 -0.63 -0.29 0.00 0.00 176.35 174.75 2j92 s ILE 128 N -3.36 1.39 -0.07 6.68 -1.09 -1.26 -0.40 121.20 123.09 2j92 s ILE 128 Ca 0.01 -0.72 0.03 0.00 -2.23 0.00 0.00 60.65 57.74 2j92 s ILE 128 Cb 0.03 -1.17 0.01 0.00 -1.58 0.00 0.00 42.46 39.74 2j92 s ILE 128 CO -0.08 0.40 -0.16 0.72 -1.23 0.00 0.00 174.94 174.59 2j92 s PHE 129 N -0.20 1.75 0.15 3.97 -0.12 -0.62 -4.96 117.98 117.96 2j92 s PHE 129 Ca 0.02 -0.64 0.04 0.00 -0.05 0.00 0.00 56.93 56.30 2j92 s PHE 129 Cb -0.09 -1.23 -0.04 0.00 -0.63 0.00 0.00 43.02 41.04 2j92 s PHE 129 CO 0.01 -0.29 0.16 -1.54 -0.05 0.00 0.00 175.22 173.50 2j92 s SER 130 N 0.47 5.65 0.15 1.98 1.04 -1.26 0.36 113.70 122.09 2j92 s SER 130 Ca -0.14 -0.07 -0.11 0.00 0.48 0.00 0.00 55.95 56.11 2j92 s SER 130 Cb -0.15 -1.52 0.04 0.00 0.10 0.00 0.00 66.02 64.49 2j92 s SER 130 CO 0.05 0.07 0.56 0.61 0.98 0.00 0.00 173.24 175.51 2j92 n GLY 131 N -0.31 1.06 3.29 7.32 0.00 -0.73 -4.60 105.19 111.22 2j92 n GLY 131 Ca -0.08 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 2j92 n GLY 131 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2j92 s GLU 132 N -2.04 2.50 0.41 1.61 -1.05 -0.65 -1.22 118.70 118.27 2j92 s GLU 132 Ca 0.12 -0.89 -0.27 0.00 -0.15 0.00 0.00 54.97 53.79 2j92 s GLU 132 Cb -0.02 -2.17 -0.10 0.00 -0.44 0.00 0.00 34.13 31.40 2j92 s GLU 132 CO 0.04 0.42 1.44 0.00 0.95 0.00 0.00 175.26 178.12 2j92 n ALA 133 N 2.84 2.10 -2.00 -0.84 0.00 -0.73 -0.56 120.51 121.33 2j92 n ALA 133 Ca -0.17 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2j92 n ALA 133 Cb 0.52 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.58 2j92 n ALA 133 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2j92 n LEU 134 N 0.18 0.00 -4.14 0.00 4.77 -0.37 0.09 117.00 117.53 2j92 n LEU 134 Ca 0.03 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 2j92 n LEU 134 Cb 0.40 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 2j92 n LEU 134 CO 0.62 0.00 0.05 0.42 -1.33 0.00 0.00 177.39 177.14 2j92 s THR 135 N 1.94 0.00 0.72 -5.08 -4.23 -1.24 -4.25 115.64 103.50 2j92 s THR 135 Ca 0.00 -1.72 -0.11 0.00 -1.18 0.00 0.00 61.69 58.69 2j92 s THR 135 Cb 0.00 -2.57 0.02 0.00 1.34 0.00 0.00 72.50 71.29 2j92 s THR 135 CO 0.00 0.00 1.07 -0.31 -0.54 0.00 0.00 174.62 174.84 2j92 s TYR 136 N -3.30 2.97 -0.09 3.99 1.51 -1.26 -0.98 117.35 120.18 2j92 s TYR 136 Ca 0.33 1.45 -0.04 0.00 -1.01 0.00 0.00 57.07 57.81 2j92 s TYR 136 Cb 0.01 -2.93 0.05 0.00 -0.11 0.00 0.00 41.96 38.98 2j92 s TYR 136 CO 0.21 -1.39 0.18 0.15 -1.11 0.00 0.00 175.55 173.59 2j92 s LYS 137 N -5.01 0.06 0.15 -0.62 -0.14 -0.56 -4.82 119.74 108.80 2j92 s LYS 137 Ca 0.59 0.60 -0.18 0.00 -1.36 0.00 0.00 55.97 55.62 2j92 s LYS 137 Cb -0.15 -0.22 0.05 0.00 -1.68 0.00 0.00 37.83 35.83 2j92 s LYS 137 CO 0.55 -0.30 1.69 -0.44 -0.76 0.00 0.00 175.35 176.10 2j92 h ASP 138 N 8.32 -0.22 -5.07 2.83 3.32 -1.94 -0.84 116.42 122.82 2j92 h ASP 138 Ca -0.14 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 2j92 h ASP 138 Cb 1.12 0.16 -0.14 0.00 0.22 0.00 0.00 39.33 40.69 2j92 h ASP 138 CO 0.15 -0.07 -0.10 0.27 -1.72 0.00 0.00 179.24 177.77 2j92 s ILE 139 N -6.20 0.07 -0.34 0.35 -4.36 -1.26 -0.51 121.20 108.95 2j92 s ILE 139 Ca -0.13 -0.60 -0.00 0.00 -0.26 0.00 0.00 60.65 59.65 2j92 s ILE 139 Cb 0.12 -1.14 0.13 0.00 1.25 0.00 0.00 42.46 42.83 2j92 s ILE 139 CO 0.70 -0.33 0.21 -0.69 0.24 0.00 0.00 174.94 175.07 2j92 s VAL 140 N -3.59 0.04 0.36 8.37 1.01 -0.75 -4.99 120.40 120.85 2j92 s VAL 140 Ca 0.02 -1.43 -0.25 0.00 0.00 0.00 0.00 61.98 60.31 2j92 s VAL 140 Cb 0.02 -1.04 -0.10 0.00 0.00 0.00 0.00 36.38 35.26 2j92 s VAL 140 CO -0.10 -0.89 0.99 -0.69 0.00 0.00 0.00 175.10 174.41 2j92 s VAL 141 N 1.33 3.99 0.22 2.92 1.01 -1.26 -3.59 120.40 125.01 2j92 s VAL 141 Ca 0.16 1.59 -0.04 0.00 0.00 0.00 0.00 61.98 63.69 2j92 s VAL 141 Cb -0.21 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 2j92 s VAL 141 CO -0.07 0.08 0.46 -0.94 0.00 0.00 0.00 175.10 174.63 2j92 s SER 142 N -1.58 6.46 0.00 3.32 1.04 0.39 -4.94 113.70 118.39 2j92 s SER 142 Ca 0.53 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.58 2j92 s SER 142 Cb -0.20 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 63.82 2j92 s SER 142 CO 0.26 -0.07 0.49 0.23 0.98 0.00 0.00 173.24 175.13 2j92 n MET 143 N -0.47 0.00 -0.00 4.02 0.00 -1.26 -0.06 117.12 119.34 2j92 n MET 143 Ca -0.02 0.06 0.08 0.00 0.00 0.00 0.00 57.70 57.81 2j92 n MET 143 Cb 0.53 -1.51 -0.11 0.00 0.00 0.00 0.00 33.22 32.13 2j92 n MET 143 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2j92 n ASP 144 N -0.99 1.07 0.00 7.83 8.00 -1.26 -4.99 116.55 126.20 2j92 n ASP 144 Ca 0.00 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.10 2j92 n ASP 144 Cb 0.01 1.39 0.00 0.00 -0.02 0.00 0.00 41.12 42.50 2j92 n ASP 144 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j92 n GLY 145 N 1.49 0.90 3.74 0.44 0.00 0.91 -5.10 105.19 107.57 2j92 n GLY 145 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2j92 n GLY 145 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2j92 s ASP 146 N -1.23 7.11 -0.05 1.61 1.11 -1.25 -4.79 116.67 119.19 2j92 s ASP 146 Ca 0.00 2.21 0.07 0.00 0.18 0.00 0.00 52.55 55.01 2j92 s ASP 146 Cb 0.00 -2.61 -0.01 0.00 1.07 0.00 0.00 42.92 41.37 2j92 s ASP 146 CO 0.00 -0.35 -0.25 -0.89 1.18 0.00 0.00 175.17 174.86 2j92 s THR 147 N -0.10 2.01 -0.23 -1.27 2.01 -1.26 -0.46 115.64 116.33 2j92 s THR 147 Ca 0.52 -1.06 0.01 0.00 0.31 0.00 0.00 61.69 61.47 2j92 s THR 147 Cb -0.32 -1.69 0.06 0.00 0.01 0.00 0.00 72.50 70.55 2j92 s THR 147 CO 0.37 0.56 -0.06 -0.04 -0.69 0.00 0.00 174.62 174.76 2j92 s MET 148 N -0.29 1.69 0.42 4.92 -1.94 -1.24 -4.86 119.30 118.00 2j92 s MET 148 Ca 0.00 -0.97 0.02 0.00 -1.71 0.00 0.00 55.69 53.04 2j92 s MET 148 Cb -0.12 -2.56 -0.00 0.00 2.01 0.00 0.00 34.83 34.15 2j92 s MET 148 CO 0.02 -0.57 0.61 -1.25 -0.01 0.00 0.00 175.02 173.82 2j92 s PRO 149 N 1.39 3.05 -0.85 2.03 0.04 -1.26 -1.80 135.00 137.60 2j92 s PRO 149 Ca -0.05 -0.68 -0.04 0.00 0.04 0.00 0.00 61.00 60.27 2j92 s PRO 149 Cb -0.18 -2.64 -0.01 0.00 0.04 0.00 0.00 34.50 31.71 2j92 s PRO 149 CO -0.06 -0.19 0.70 0.41 0.04 0.00 0.00 177.00 177.90 2j92 n GLY 150 N -1.95 -1.22 3.77 0.56 0.00 0.33 -4.70 105.19 101.99 2j92 n GLY 150 Ca 0.01 0.52 -0.26 0.00 0.00 0.00 0.00 46.02 46.28 2j92 n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2j92 s LEU 151 N -4.80 2.89 -0.04 0.99 1.43 -0.32 -0.82 118.68 118.01 2j92 s LEU 151 Ca 0.11 -1.22 -0.01 0.00 -1.03 0.00 0.00 54.13 51.97 2j92 s LEU 151 Cb -0.03 -1.25 0.03 0.00 0.03 0.00 0.00 46.19 44.97 2j92 s LEU 151 CO 0.81 -0.70 0.05 0.12 0.23 0.00 0.00 176.35 176.86 2j92 s PHE 152 N -2.68 0.11 0.26 0.29 5.36 -0.81 -1.50 117.98 119.01 2j92 s PHE 152 Ca 0.34 0.19 -0.03 0.00 -0.96 0.00 0.00 56.93 56.46 2j92 s PHE 152 Cb 0.03 -0.46 -0.05 0.00 -0.34 0.00 0.00 43.02 42.20 2j92 s PHE 152 CO 0.19 -0.18 0.50 0.00 -1.46 0.00 0.00 175.22 174.27 2j92 s ALA 153 N 1.89 3.69 -0.05 11.12 0.00 -0.15 -2.29 121.76 135.97 2j92 s ALA 153 Ca 0.02 -0.66 -0.31 0.00 0.00 0.00 0.00 51.96 51.01 2j92 s ALA 153 Cb -0.12 -2.19 0.07 0.00 0.00 0.00 0.00 23.12 20.87 2j92 s ALA 153 CO -0.03 0.30 0.68 1.52 0.00 0.00 0.00 175.76 178.22 2j92 s TYR 154 N -2.02 -0.66 -0.11 0.00 -0.85 -0.62 -1.24 117.35 111.84 2j92 s TYR 154 Ca 0.42 1.14 -0.29 0.00 -0.52 0.00 0.00 57.07 57.82 2j92 s TYR 154 Cb -0.11 0.41 -0.01 0.00 0.38 0.00 0.00 41.96 42.63 2j92 s TYR 154 CO 0.30 -0.60 0.98 0.15 -1.52 0.00 0.00 175.55 174.85 2j92 s LYS 155 N -1.16 4.41 -0.19 -3.49 1.02 0.28 -0.17 119.74 120.43 2j92 s LYS 155 Ca -0.11 1.33 -0.32 0.00 0.02 0.00 0.00 55.97 56.89 2j92 s LYS 155 Cb -0.00 -3.54 0.15 0.00 -0.52 0.00 0.00 37.83 33.91 2j92 s LYS 155 CO 0.10 -0.31 1.18 0.00 -0.92 0.00 0.00 175.35 175.40 2j92 s ALA 156 N 2.00 -2.04 -0.61 5.17 0.00 -0.37 -1.63 121.76 124.29 2j92 s ALA 156 Ca 0.47 1.62 -0.19 0.00 0.00 0.00 0.00 51.96 53.86 2j92 s ALA 156 Cb -0.18 -0.50 0.11 0.00 0.00 0.00 0.00 23.12 22.55 2j92 s ALA 156 CO 0.17 -0.47 0.71 0.00 0.00 0.00 0.00 175.76 176.18 2j92 s ALA 157 N -1.91 3.43 0.27 0.00 0.00 -1.26 -3.49 121.76 118.80 2j92 s ALA 157 Ca 0.07 -2.28 0.11 0.00 0.00 0.00 0.00 51.96 49.86 2j92 s ALA 157 Cb -0.01 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 2j92 s ALA 157 CO -0.04 -2.36 -0.13 0.95 0.00 0.00 0.00 175.76 174.17 2j92 s THR 158 N 2.61 2.84 0.15 0.00 -4.23 -1.26 -4.99 115.64 110.76 2j92 s THR 158 Ca 0.12 -2.21 0.01 0.00 -1.18 0.00 0.00 61.69 58.43 2j92 s THR 158 Cb -0.23 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.06 2j92 s THR 158 CO 0.05 -0.38 0.02 0.00 -0.54 0.00 0.00 174.62 173.77 2j92 s ARG 159 N -3.54 1.01 0.28 3.99 1.70 -1.26 -4.69 118.95 116.45 2j92 s ARG 159 Ca 0.30 -1.48 -0.30 0.00 -0.47 0.00 0.00 55.73 53.78 2j92 s ARG 159 Cb -0.06 -0.06 -0.12 0.00 -0.57 0.00 0.00 34.95 34.14 2j92 s ARG 159 CO 0.17 -0.17 1.54 0.00 -1.08 0.00 0.00 175.30 175.75 2j92 n ALA 160 N -0.17 2.14 0.00 7.88 0.00 -1.26 -1.97 120.51 127.14 2j92 n ALA 160 Ca -0.07 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2j92 n ALA 160 Cb 0.63 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.67 2j92 n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j92 n GLY 161 N 2.10 0.97 0.19 0.00 0.00 -1.26 -4.92 105.19 102.27 2j92 n GLY 161 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.21 2j92 n GLY 161 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2j92 h TYR 162 N 0.00 0.00 -2.11 1.61 -1.99 -1.70 -3.31 116.97 109.48 2j92 h TYR 162 Ca 0.00 0.00 -0.63 0.00 2.00 0.00 0.00 58.73 60.10 2j92 h TYR 162 Cb 0.00 0.00 0.08 0.00 2.00 0.00 0.00 36.73 38.81 2j92 h TYR 162 CO 0.00 0.13 0.39 0.00 -0.00 0.00 0.00 178.16 178.68 2j92 n ALA 163 N -2.14 -0.25 0.00 3.88 0.00 -1.26 -1.60 120.51 119.15 2j92 n ALA 163 Ca 0.03 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2j92 n ALA 163 Cb 0.58 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.93 2j92 n ALA 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j92 n GLY 164 N 2.16 2.80 3.79 0.00 0.00 -0.51 -0.79 105.19 112.64 2j92 n GLY 164 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 2j92 n GLY 164 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2j92 s GLY 165 N -2.69 2.63 0.32 -0.02 0.00 -0.62 -3.68 107.32 103.25 2j92 s GLY 165 Ca 0.00 0.67 -0.20 0.00 0.00 0.00 0.00 44.72 45.19 2j92 s GLY 165 CO 0.00 1.05 0.82 0.00 0.00 0.00 0.00 173.10 174.97 2j92 s ALA 166 N -1.81 3.26 -0.18 3.20 0.00 -1.21 -0.14 121.76 124.88 2j92 s ALA 166 Ca 0.63 0.25 -0.04 0.00 0.00 0.00 0.00 51.96 52.81 2j92 s ALA 166 Cb -0.20 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 19.95 2j92 s ALA 166 CO 0.24 0.25 -0.03 0.08 0.00 0.00 0.00 175.76 176.30 2j92 s VAL 167 N -1.82 3.77 -0.01 0.00 1.01 -0.33 -0.51 120.40 122.51 2j92 s VAL 167 Ca 0.52 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.12 2j92 s VAL 167 Cb -0.14 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 2j92 s VAL 167 CO 0.19 0.46 -0.00 -0.76 0.00 0.00 0.00 175.10 174.99 2j92 s LEU 168 N 0.72 3.49 0.36 3.92 1.43 0.16 -0.74 118.68 128.02 2j92 s LEU 168 Ca -0.02 -0.01 0.06 0.00 -1.03 0.00 0.00 54.13 53.14 2j92 s LEU 168 Cb -0.14 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 2j92 s LEU 168 CO 0.02 0.29 0.23 0.00 0.23 0.00 0.00 176.35 177.12 2j92 s ALA 169 N -1.06 2.24 0.02 4.21 0.00 -0.56 -0.70 121.76 125.92 2j92 s ALA 169 Ca 0.19 -1.76 0.06 0.00 0.00 0.00 0.00 51.96 50.44 2j92 s ALA 169 Cb -0.11 1.24 -0.02 0.00 0.00 0.00 0.00 23.12 24.22 2j92 s ALA 169 CO 0.09 -0.55 -0.18 0.15 0.00 0.00 0.00 175.76 175.27 2j92 s LYS 170 N -3.53 1.26 -0.47 0.00 1.02 -1.25 -1.97 119.74 114.79 2j92 s LYS 170 Ca 0.35 -0.78 0.04 0.00 0.02 0.00 0.00 55.97 55.59 2j92 s LYS 170 Cb 0.02 -1.29 0.16 0.00 -0.52 0.00 0.00 37.83 36.20 2j92 s LYS 170 CO 0.23 0.34 0.35 0.34 -0.92 0.00 0.00 175.35 175.69 2j92 s ASP 171 N -0.91 2.48 1.25 2.83 -1.08 0.44 -4.50 116.67 117.18 2j92 s ASP 171 Ca 0.06 -3.11 0.00 0.00 -0.52 0.00 0.00 52.55 48.98 2j92 s ASP 171 Cb -0.08 -0.73 0.00 0.00 -1.46 0.00 0.00 42.92 40.65 2j92 s ASP 171 CO 0.01 -0.17 0.00 0.61 0.52 0.00 0.00 175.17 176.13 2j92 n GLY 172 N 2.84 1.87 0.38 2.66 0.00 -1.26 -2.13 105.19 109.55 2j92 n GLY 172 Ca 0.24 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.94 2j92 n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j92 n ALA 173 N 10.27 2.58 -2.68 4.61 0.00 -1.26 -4.85 120.51 129.17 2j92 n ALA 173 Ca 0.00 -0.40 -0.37 0.00 0.00 0.00 0.00 53.44 52.67 2j92 n ALA 173 Cb 0.00 -1.21 -0.07 0.00 0.00 0.00 0.00 19.45 18.18 2j92 n ALA 173 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2j92 s ASP 174 N -1.79 6.57 -0.13 0.00 2.15 -0.91 -5.08 116.67 117.48 2j92 s ASP 174 Ca 0.36 0.67 0.02 0.00 0.43 0.00 0.00 52.55 54.03 2j92 s ASP 174 Cb 0.19 -2.21 -0.00 0.00 -0.30 0.00 0.00 42.92 40.60 2j92 s ASP 174 CO 0.30 0.16 -0.18 -0.89 -0.17 0.00 0.00 175.17 174.38 2j92 s THR 175 N 0.03 2.49 0.23 1.71 2.01 -1.26 -0.42 115.64 120.43 2j92 s THR 175 Ca 0.20 -0.85 -0.08 0.00 0.31 0.00 0.00 61.69 61.27 2j92 s THR 175 Cb -0.14 -2.01 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 2j92 s THR 175 CO 0.07 0.54 0.35 0.72 -0.69 0.00 0.00 174.62 175.61 2j92 s PHE 176 N 0.53 0.68 -0.24 4.92 -0.12 -0.83 -5.01 117.98 117.91 2j92 s PHE 176 Ca -0.12 -0.98 -0.16 0.00 -0.05 0.00 0.00 56.93 55.62 2j92 s PHE 176 Cb -0.16 -0.10 -0.03 0.00 -0.63 0.00 0.00 43.02 42.10 2j92 s PHE 176 CO 0.04 -0.86 0.44 0.42 -0.05 0.00 0.00 175.22 175.21 2j92 s ILE 177 N -4.05 5.14 -0.01 -4.49 1.01 -0.27 -1.50 121.20 117.03 2j92 s ILE 177 Ca 0.29 0.75 -0.19 0.00 0.00 0.00 0.00 60.65 61.50 2j92 s ILE 177 Cb 0.02 -3.76 -0.34 0.00 0.01 0.00 0.00 42.46 38.39 2j92 s ILE 177 CO 0.10 0.16 0.95 0.58 0.00 0.00 0.00 174.94 176.73 2j92 h VAL 178 N 5.28 1.38 0.00 2.92 2.07 -1.26 -3.37 116.25 123.26 2j92 h VAL 178 Ca -0.32 -2.63 0.00 0.00 0.82 0.00 0.00 66.70 64.57 2j92 h VAL 178 Cb 1.15 3.11 0.00 0.00 -1.52 0.00 0.00 31.29 34.04 2j92 h VAL 178 CO 0.70 0.77 0.00 0.61 0.02 0.00 0.00 177.57 179.67 2j92 n GLY 179 N 1.70 -0.57 3.22 2.17 0.00 -1.24 -2.16 105.19 108.31 2j92 n GLY 179 Ca -0.16 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.95 2j92 n GLY 179 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2j92 s THR 180 N -4.00 1.82 0.18 2.61 -4.23 -0.86 -1.18 115.64 109.99 2j92 s THR 180 Ca 0.00 -0.93 -0.33 0.00 -1.18 0.00 0.00 61.69 59.25 2j92 s THR 180 Cb 0.00 -1.55 -0.15 0.00 1.34 0.00 0.00 72.50 72.14 2j92 s THR 180 CO 0.00 0.51 1.36 1.57 -0.54 0.00 0.00 174.62 177.52 2j92 n HIS 181 N 3.05 1.83 -0.00 3.99 -0.00 0.80 -0.31 115.22 124.59 2j92 n HIS 181 Ca -0.18 0.51 -0.00 0.00 0.46 0.00 0.00 57.72 58.50 2j92 n HIS 181 Cb 0.52 -2.40 -0.00 0.00 -0.12 0.00 0.00 29.99 27.99 2j92 n HIS 181 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2j92 n SER 182 N 2.40 4.45 -3.78 0.26 7.64 0.11 -1.42 113.62 123.28 2j92 n SER 182 Ca 0.15 -0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.96 2j92 n SER 182 Cb 0.27 0.27 -0.02 0.00 -1.01 0.00 0.00 64.21 63.72 2j92 n SER 182 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2j92 s ALA 183 N -2.01 -1.40 -0.04 -0.43 0.00 -0.97 -4.84 121.76 112.07 2j92 s ALA 183 Ca -0.01 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 2j92 s ALA 183 Cb 0.00 0.78 0.12 0.00 0.00 0.00 0.00 23.12 24.02 2j92 s ALA 183 CO 0.02 -1.00 1.33 0.20 0.00 0.00 0.00 175.76 176.30 2j92 s GLY 184 N -2.90 -0.32 0.00 0.00 0.00 -1.26 -0.02 107.32 102.83 2j92 s GLY 184 Ca 0.10 0.48 0.00 0.00 0.00 0.00 0.00 44.72 45.30 2j92 s GLY 184 CO 0.03 2.66 0.00 0.61 0.00 0.00 0.00 173.10 176.40 2j92 n GLY 185 N -0.68 4.24 2.28 0.20 0.00 0.44 -4.97 105.19 106.71 2j92 n GLY 185 Ca -0.03 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 2j92 n GLY 185 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2j92 n ASN 186 N 0.00 -4.13 -0.03 1.61 4.13 -1.26 -2.20 115.26 113.38 2j92 n ASN 186 Ca 0.00 0.12 -0.00 0.00 1.68 0.00 0.00 54.58 56.37 2j92 n ASN 186 Cb 0.00 -3.08 -0.00 0.00 -1.54 0.00 0.00 39.78 35.16 2j92 n ASN 186 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2j92 n GLY 187 N -1.20 0.46 2.96 7.41 0.00 -1.26 -5.01 105.19 108.54 2j92 n GLY 187 Ca -0.14 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 2j92 n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j92 s VAL 188 N -1.90 0.65 0.34 1.61 0.11 -0.93 -1.24 120.40 119.04 2j92 s VAL 188 Ca 0.00 -0.26 0.08 0.00 -2.93 0.00 0.00 61.98 58.87 2j92 s VAL 188 Cb 0.00 -0.61 -0.07 0.00 -1.53 0.00 0.00 36.38 34.18 2j92 s VAL 188 CO 0.00 0.22 -0.04 -0.83 -3.33 0.00 0.00 175.10 171.12 2j92 s GLY 189 N 0.40 2.17 0.00 6.54 0.00 0.76 -0.42 107.32 116.78 2j92 s GLY 189 Ca -0.06 -2.10 0.01 0.00 0.00 0.00 0.00 44.72 42.57 2j92 s GLY 189 CO 0.00 -1.98 -0.03 -0.19 0.00 0.00 0.00 173.10 170.90 2j92 s TYR 190 N -2.80 0.25 0.11 1.90 1.51 0.97 -1.60 117.35 117.70 2j92 s TYR 190 Ca 0.33 -0.09 0.09 0.00 -1.01 0.00 0.00 57.07 56.39 2j92 s TYR 190 Cb 0.05 -0.16 -0.04 0.00 -0.11 0.00 0.00 41.96 41.71 2j92 s TYR 190 CO 0.16 -0.02 -0.22 0.00 -1.11 0.00 0.00 175.55 174.36 2j92 s SER 192 N -2.01 6.93 0.22 0.00 0.01 0.58 -1.93 113.70 117.50 2j92 s SER 192 Ca 0.09 1.13 -0.30 0.00 1.31 0.00 0.00 55.95 58.18 2j92 s SER 192 Cb -0.10 -2.41 -0.09 0.00 0.21 0.00 0.00 66.02 63.63 2j92 s SER 192 CO 0.05 -0.22 1.20 0.00 0.41 0.00 0.00 173.24 174.68 2j92 s VAL 194 N -0.32 1.33 0.44 0.00 1.01 -0.92 -4.97 120.40 116.97 2j92 s VAL 194 Ca 0.51 -0.48 -0.10 0.00 0.00 0.00 0.00 61.98 61.91 2j92 s VAL 194 Cb -0.34 -1.28 -0.06 0.00 0.00 0.00 0.00 36.38 34.71 2j92 s VAL 194 CO 0.39 0.42 0.80 -0.94 0.00 0.00 0.00 175.10 175.76 2j92 s SER 195 N 1.55 6.46 0.18 3.32 1.04 -1.26 -4.50 113.70 120.50 2j92 s SER 195 Ca 0.04 1.13 -0.13 0.00 0.48 0.00 0.00 55.95 57.47 2j92 s SER 195 Cb -0.13 -2.32 0.11 0.00 0.10 0.00 0.00 66.02 63.78 2j92 s SER 195 CO -0.09 -0.47 1.83 -0.09 0.98 0.00 0.00 173.24 175.41 2j92 h ARG 196 N 0.96 0.70 -0.26 4.02 9.65 -1.58 -2.66 114.38 125.22 2j92 h ARG 196 Ca -0.47 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 2j92 h ARG 196 Cb 1.19 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.60 2j92 h ARG 196 CO 0.63 0.47 0.17 0.66 2.80 0.00 0.00 179.97 184.70 2j92 h SER 197 N 0.73 0.29 -0.51 -3.80 4.64 -1.94 -0.30 113.55 112.66 2j92 h SER 197 Ca 0.22 -0.01 0.10 0.00 -0.47 0.00 0.00 61.79 61.63 2j92 h SER 197 Cb -0.02 -0.07 -0.10 0.00 -0.31 0.00 0.00 62.40 61.89 2j92 h SER 197 CO -0.08 0.22 -0.26 0.24 -0.87 0.00 0.00 176.83 176.08 2j92 h MET 198 N 0.34 -0.14 -0.50 4.77 2.07 -1.88 -0.30 114.93 119.30 2j92 h MET 198 Ca 0.09 0.01 -0.09 0.00 -2.07 0.00 0.00 59.70 57.64 2j92 h MET 198 Cb -0.04 0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 29.70 2j92 h MET 198 CO -0.02 -0.09 -0.05 -0.07 1.07 0.00 0.00 176.91 177.75 2j92 h LEU 199 N -0.14 0.86 -0.15 1.22 3.38 -1.17 -1.99 115.31 117.32 2j92 h LEU 199 Ca 0.23 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2j92 h LEU 199 Cb 0.50 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2j92 h LEU 199 CO -0.59 0.95 0.04 1.56 0.09 0.00 0.00 178.44 180.49 2j92 h GLN 200 N 0.80 0.24 -0.74 1.13 1.08 -0.08 0.37 115.11 117.92 2j92 h GLN 200 Ca 0.14 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 2j92 h GLN 200 Cb 0.55 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.91 2j92 h GLN 200 CO 0.03 0.38 0.37 1.57 -0.95 0.00 0.00 178.83 180.23 2j92 h LYS 201 N 0.05 1.05 -0.42 1.46 -0.00 -1.08 -0.30 116.57 117.33 2j92 h LYS 201 Ca 0.05 -0.14 -0.11 0.00 -0.00 0.00 0.00 60.65 60.45 2j92 h LYS 201 Cb 0.24 -0.19 -0.02 0.00 -0.00 0.00 0.00 32.23 32.26 2j92 h LYS 201 CO -0.00 0.80 -0.18 1.98 -0.00 0.00 0.00 179.45 182.06 2j92 h MET 202 N 1.02 0.81 -0.51 0.07 -1.53 -1.18 -0.92 114.93 112.69 2j92 h MET 202 Ca 0.26 -0.31 -0.12 0.00 -3.44 0.00 0.00 59.70 56.09 2j92 h MET 202 Cb 0.09 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 31.07 2j92 h MET 202 CO -0.04 0.93 -0.15 -0.22 0.14 0.00 0.00 176.91 177.57 2j92 h LYS 203 N 0.72 0.99 -0.56 0.39 3.64 0.21 -2.27 116.57 119.68 2j92 h LYS 203 Ca 0.11 -0.38 -0.10 0.00 -1.27 0.00 0.00 60.65 59.00 2j92 h LYS 203 Cb 0.69 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2j92 h LYS 203 CO 0.05 1.06 -0.06 0.00 -2.27 0.00 0.00 179.45 178.24 2j92 h ALA 204 N 0.95 0.83 -0.02 5.00 0.00 -0.84 0.16 119.26 125.34 2j92 h ALA 204 Ca 0.13 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2j92 h ALA 204 Cb 0.71 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2j92 h ALA 204 CO 0.05 0.66 -0.07 1.25 0.00 0.00 0.00 179.25 181.14 2j92 h HIS 205 N 0.92 -0.18 0.00 0.00 -0.00 -0.94 -1.71 115.15 113.23 2j92 h HIS 205 Ca 0.15 0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.46 2j92 h HIS 205 Cb 0.61 0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.09 2j92 h HIS 205 CO 0.04 -0.11 -0.34 0.28 -0.00 0.00 0.00 177.93 177.80 2j92 h VAL 206 N -0.12 0.84 0.00 5.26 2.07 -1.31 -3.51 116.25 119.48 2j92 h VAL 206 Ca 0.04 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.19 2j92 h VAL 206 Cb 0.17 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2j92 h VAL 206 CO -0.09 0.33 0.00 -0.62 0.02 0.00 0.00 177.57 177.21