#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q42 s GLN 2 N 0.00 4.32 -0.30 2.12 -0.21 -0.61 -4.98 119.66 119.99 2q42 s GLN 2 Ca 0.00 0.50 -0.05 0.00 0.02 0.00 0.00 55.36 55.83 2q42 s GLN 2 Cb 0.00 -3.41 0.03 0.00 1.00 0.00 0.00 33.01 30.62 2q42 s GLN 2 CO 0.00 0.21 0.06 0.42 -2.12 0.00 0.00 175.29 173.86 2q42 s ILE 3 N 0.44 3.62 -0.46 1.08 1.01 -1.26 -2.50 121.20 123.13 2q42 s ILE 3 Ca 0.27 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 59.78 2q42 s ILE 3 Cb -0.16 -2.95 0.05 0.00 0.01 0.00 0.00 42.46 39.41 2q42 s ILE 3 CO 0.12 -0.02 0.40 -0.70 0.00 0.00 0.00 174.94 174.74 2q42 s GLU 4 N 1.41 3.00 -0.24 2.79 2.12 0.50 -4.93 118.70 123.36 2q42 s GLU 4 Ca -0.00 -1.17 -0.28 0.00 0.36 0.00 0.00 54.97 53.87 2q42 s GLU 4 Cb -0.18 -4.08 0.01 0.00 0.26 0.00 0.00 34.13 30.14 2q42 s GLU 4 CO 0.01 -0.96 1.00 -0.51 -0.54 0.00 0.00 175.26 174.26 2q42 s LEU 5 N 1.79 4.09 -0.28 2.70 1.02 -1.26 -0.40 118.68 126.34 2q42 s LEU 5 Ca 0.06 1.30 -0.03 0.00 0.02 0.00 0.00 54.13 55.49 2q42 s LEU 5 Cb -0.22 -3.47 0.04 0.00 0.02 0.00 0.00 46.19 42.56 2q42 s LEU 5 CO 0.09 -0.65 -0.01 -0.69 0.02 0.00 0.00 176.35 175.11 2q42 s VAL 6 N 3.14 3.09 -0.12 -1.59 1.01 -0.13 -4.98 120.40 120.84 2q42 s VAL 6 Ca 0.42 -1.18 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 2q42 s VAL 6 Cb -0.15 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 2q42 s VAL 6 CO 0.07 0.01 1.29 -2.84 0.00 0.00 0.00 175.10 173.62 2q42 s PRO 7 N 1.31 4.26 0.32 2.72 0.02 -1.26 -1.62 135.00 140.75 2q42 s PRO 7 Ca -0.03 1.73 0.10 0.00 0.02 0.00 0.00 61.00 62.83 2q42 s PRO 7 Cb -0.18 -3.72 -0.06 0.00 0.02 0.00 0.00 34.50 30.56 2q42 s PRO 7 CO -0.02 -0.64 -0.10 0.00 -0.33 0.00 0.00 177.00 175.91 2q42 n LEU 9 N -0.77 0.00 -0.00 0.00 4.77 -1.26 -0.66 117.00 119.08 2q42 n LEU 9 Ca -0.05 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.00 2q42 n LEU 9 Cb 0.62 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.62 2q42 n LEU 9 CO 0.41 0.00 -0.29 1.17 -1.33 0.00 0.00 177.39 177.35 2q42 n LYS 10 N 14.00 1.59 -0.72 3.23 4.81 -1.26 -4.75 118.16 135.05 2q42 n LYS 10 Ca 0.00 -0.05 -0.03 0.00 -0.87 0.00 0.00 58.31 57.35 2q42 n LYS 10 Cb 0.00 -1.23 -0.03 0.00 0.02 0.00 0.00 35.03 33.78 2q42 n LYS 10 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2q42 n ASP 11 N -1.60 -0.49 -4.77 3.14 5.68 -1.16 -5.04 116.55 112.31 2q42 n ASP 11 Ca 0.00 -1.03 -0.30 0.00 -0.50 0.00 0.00 54.79 52.96 2q42 n ASP 11 Cb 0.28 0.15 -0.07 0.00 -1.14 0.00 0.00 41.12 40.34 2q42 n ASP 11 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 2q42 s ASN 12 N -0.49 5.51 -0.15 -1.12 -0.87 0.17 -2.34 114.94 115.65 2q42 s ASN 12 Ca 0.00 -0.02 0.02 0.00 -1.57 0.00 0.00 52.86 51.30 2q42 s ASN 12 Cb 0.00 -1.47 0.01 0.00 -0.02 0.00 0.00 41.25 39.77 2q42 s ASN 12 CO 0.00 0.17 -0.21 -0.31 -2.57 0.00 0.00 177.10 174.18 2q42 s TYR 13 N -1.38 2.69 0.12 2.20 2.02 -0.51 0.81 117.35 123.29 2q42 s TYR 13 Ca 0.29 -1.37 0.04 0.00 -0.37 0.00 0.00 57.07 55.66 2q42 s TYR 13 Cb -0.12 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.57 2q42 s TYR 13 CO 0.22 -0.63 0.14 0.00 -1.57 0.00 0.00 175.55 173.70 2q42 s ALA 14 N 0.87 3.65 -0.14 3.71 0.00 -0.64 -4.76 121.76 124.44 2q42 s ALA 14 Ca -0.06 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.83 2q42 s ALA 14 Cb -0.15 -1.47 0.02 0.00 0.00 0.00 0.00 23.12 21.51 2q42 s ALA 14 CO -0.03 0.63 -0.18 0.71 0.00 0.00 0.00 175.76 176.89 2q42 s TYR 15 N -1.59 2.38 -0.11 0.00 2.02 -1.09 -0.95 117.35 118.02 2q42 s TYR 15 Ca 0.31 -1.26 -0.22 0.00 -0.37 0.00 0.00 57.07 55.53 2q42 s TYR 15 Cb -0.11 -1.68 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 2q42 s TYR 15 CO 0.24 -0.63 0.66 0.42 -1.57 0.00 0.00 175.55 174.66 2q42 s ILE 16 N 1.12 5.05 -0.22 2.71 1.01 0.47 -1.12 121.20 130.22 2q42 s ILE 16 Ca -0.02 1.32 -0.07 0.00 0.00 0.00 0.00 60.65 61.88 2q42 s ILE 16 Cb -0.14 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 2q42 s ILE 16 CO -0.06 0.22 0.06 -0.76 0.00 0.00 0.00 174.94 174.39 2q42 s LEU 17 N 1.10 3.50 -0.23 2.97 1.43 -0.13 -0.37 118.68 126.95 2q42 s LEU 17 Ca 0.34 -0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 53.30 2q42 s LEU 17 Cb -0.17 -1.92 0.06 0.00 0.03 0.00 0.00 46.19 44.20 2q42 s LEU 17 CO 0.15 0.03 -0.01 -1.00 0.23 0.00 0.00 176.35 175.75 2q42 s HIS 18 N 1.20 1.96 0.72 0.29 3.76 -1.04 -2.07 115.29 120.10 2q42 s HIS 18 Ca 0.04 -1.51 -0.15 0.00 -0.15 0.00 0.00 55.06 53.30 2q42 s HIS 18 Cb -0.14 -1.45 0.03 0.00 1.11 0.00 0.00 32.58 32.13 2q42 s HIS 18 CO 0.03 -0.74 1.18 0.34 -0.85 0.00 0.00 174.74 174.71 2q42 s ASP 19 N 1.54 4.39 -0.01 1.40 2.15 -0.53 -1.58 116.67 124.04 2q42 s ASP 19 Ca -0.03 2.26 0.22 0.00 0.43 0.00 0.00 52.55 55.43 2q42 s ASP 19 Cb -0.18 -2.58 -0.26 0.00 -0.30 0.00 0.00 42.92 39.60 2q42 s ASP 19 CO -0.08 -2.13 0.72 -0.62 -0.17 0.00 0.00 175.17 172.90 2q42 n GLU 20 N -2.67 0.32 -0.09 4.34 1.02 -1.26 -3.36 120.64 118.93 2q42 n GLU 20 Ca 0.13 -0.09 -0.10 0.00 -0.02 0.00 0.00 57.16 57.08 2q42 n GLU 20 Cb 0.51 -1.52 -0.16 0.00 -0.02 0.00 0.00 31.44 30.25 2q42 n GLU 20 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2q42 n ASP 21 N -1.88 0.16 -0.04 1.62 2.03 -1.26 -4.68 116.55 112.51 2q42 n ASP 21 Ca 0.00 0.06 -0.01 0.00 0.52 0.00 0.00 54.79 55.36 2q42 n ASP 21 Cb 0.45 0.82 -0.10 0.00 -0.72 0.00 0.00 41.12 41.57 2q42 n ASP 21 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2q42 n THR 22 N -2.80 0.48 -0.55 5.18 -2.24 -1.26 -4.99 114.28 108.10 2q42 n THR 22 Ca -0.31 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 2q42 n THR 22 Cb 1.14 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 2q42 n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2q42 n GLY 23 N 2.07 0.74 3.77 3.38 0.00 -1.21 -5.03 105.19 108.91 2q42 n GLY 23 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 2q42 n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q42 s THR 24 N -2.33 2.63 0.45 2.61 2.01 -1.26 -4.81 115.64 114.95 2q42 s THR 24 Ca 0.00 0.60 0.03 0.00 0.31 0.00 0.00 61.69 62.62 2q42 s THR 24 Cb 0.00 -3.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.12 2q42 s THR 24 CO 0.00 0.11 0.06 -0.69 -0.69 0.00 0.00 174.62 173.41 2q42 s VAL 25 N -1.21 0.98 0.00 3.82 1.01 -1.25 -1.45 120.40 122.29 2q42 s VAL 25 Ca 0.54 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.52 2q42 s VAL 25 Cb -0.39 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.66 2q42 s VAL 25 CO 0.51 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2q42 n GLY 26 N -1.06 0.23 2.97 4.51 0.00 -0.88 -2.55 105.19 108.41 2q42 n GLY 26 Ca -0.12 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 2q42 n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q42 s VAL 27 N -2.00 0.03 -0.66 1.61 0.11 -0.79 -0.96 120.40 117.75 2q42 s VAL 27 Ca 0.00 -0.28 -0.08 0.00 -2.93 0.00 0.00 61.98 58.69 2q42 s VAL 27 Cb 0.00 -0.18 0.17 0.00 -1.53 0.00 0.00 36.38 34.84 2q42 s VAL 27 CO 0.00 -0.15 0.52 -0.69 -3.33 0.00 0.00 175.10 171.45 2q42 s VAL 28 N -0.46 4.42 0.00 2.04 1.01 -0.28 -1.01 120.40 126.12 2q42 s VAL 28 Ca -0.05 -2.55 0.00 0.00 0.00 0.00 0.00 61.98 59.38 2q42 s VAL 28 Cb -0.03 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2q42 s VAL 28 CO 0.00 -0.90 0.00 0.47 0.00 0.00 0.00 175.10 174.67 2q42 n ASP 29 N 3.95 -1.36 -4.55 3.32 9.92 -0.78 -2.65 116.55 124.39 2q42 n ASP 29 Ca 0.06 0.00 -0.34 0.00 -0.53 0.00 0.00 54.79 53.99 2q42 n ASP 29 Cb 0.41 -0.34 -0.04 0.00 -0.64 0.00 0.00 41.12 40.52 2q42 n ASP 29 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2q42 s PRO 30 N -2.50 2.38 0.22 -0.24 0.04 -1.20 -4.40 135.00 129.30 2q42 s PRO 30 Ca 0.00 0.66 -0.07 0.00 0.04 0.00 0.00 61.00 61.63 2q42 s PRO 30 Cb 0.00 -4.59 0.19 0.00 0.04 0.00 0.00 34.50 30.14 2q42 s PRO 30 CO 0.00 -3.15 1.83 0.77 0.04 0.00 0.00 177.00 176.50 2q42 h SER 31 N 15.40 1.10 -4.59 6.66 0.02 -1.78 0.22 113.55 130.58 2q42 h SER 31 Ca -0.17 -0.12 -0.26 0.00 -0.84 0.00 0.00 61.79 60.40 2q42 h SER 31 Cb 1.15 -0.28 -0.23 0.00 0.14 0.00 0.00 62.40 63.18 2q42 h SER 31 CO 1.18 0.90 -0.73 -1.61 -1.14 0.00 0.00 176.83 175.43 2q42 s GLU 32 N -5.77 0.45 -0.06 3.45 2.02 -1.26 -2.83 118.70 114.68 2q42 s GLU 32 Ca -0.13 -0.59 -0.27 0.00 0.02 0.00 0.00 54.97 54.01 2q42 s GLU 32 Cb 0.16 -0.23 -0.22 0.00 0.10 0.00 0.00 34.13 33.94 2q42 s GLU 32 CO 0.83 0.04 1.08 0.00 0.02 0.00 0.00 175.26 177.23 2q42 h ALA 33 N 4.89 0.01 -0.69 5.21 0.00 -1.82 -3.36 119.26 123.50 2q42 h ALA 33 Ca -0.33 -0.36 0.14 0.00 0.00 0.00 0.00 54.91 54.37 2q42 h ALA 33 Cb 1.20 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 2q42 h ALA 33 CO 0.43 -0.12 0.17 1.49 0.00 0.00 0.00 179.25 181.21 2q42 h GLU 34 N -0.65 0.27 -0.01 0.00 4.57 -1.98 0.30 114.58 117.09 2q42 h GLU 34 Ca -0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2q42 h GLU 34 Cb 0.72 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.25 2q42 h GLU 34 CO 0.01 0.18 0.01 -1.35 -1.18 0.00 0.00 179.01 176.68 2q42 h PRO 35 N 0.28 0.00 0.02 0.92 0.11 -2.00 -0.85 132.00 130.47 2q42 h PRO 35 Ca 0.38 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 66.15 2q42 h PRO 35 Cb 0.62 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.68 2q42 h PRO 35 CO -0.47 0.00 -2.09 -0.89 -0.21 0.00 0.00 178.00 174.34 2q42 n ILE 36 N -3.76 1.53 -0.00 4.15 2.08 0.46 -3.37 119.36 120.45 2q42 n ILE 36 Ca -0.03 -0.78 -0.09 0.00 0.56 0.00 0.00 62.75 62.41 2q42 n ILE 36 Cb 0.10 -0.95 -0.03 0.00 -0.75 0.00 0.00 39.64 38.01 2q42 n ILE 36 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 2q42 h ILE 37 N 0.01 0.59 0.00 1.39 2.04 0.53 -2.62 117.51 119.44 2q42 h ILE 37 Ca -0.43 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 2q42 h ILE 37 Cb 2.09 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.76 2q42 h ILE 37 CO 0.04 0.00 -0.03 0.44 0.00 0.00 0.00 178.15 178.60 2q42 h ASP 38 N -0.19 0.00 0.98 1.72 3.32 -1.38 -3.03 116.42 117.83 2q42 h ASP 38 Ca 0.10 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 2q42 h ASP 38 Cb 0.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2q42 h ASP 38 CO -0.24 0.03 -0.19 -1.28 -1.72 0.00 0.00 179.24 175.83 2q42 h SER 39 N 0.00 0.00 0.34 6.45 0.87 -1.50 -3.13 113.55 116.58 2q42 h SER 39 Ca -0.00 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.24 2q42 h SER 39 Cb 1.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.93 2q42 h SER 39 CO 0.00 0.19 -1.81 -0.07 -0.53 0.00 0.00 176.83 174.62 2q42 h LEU 40 N 0.00 0.21 -1.82 2.23 3.38 -1.36 -3.34 115.31 114.60 2q42 h LEU 40 Ca -0.00 -0.45 0.31 0.00 0.09 0.00 0.00 57.88 57.83 2q42 h LEU 40 Cb 0.73 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 2q42 h LEU 40 CO 0.03 1.40 0.77 0.11 0.09 0.00 0.00 178.44 180.83 2q42 h LYS 41 N 0.04 0.11 0.56 1.13 1.57 -1.47 0.49 116.57 118.99 2q42 h LYS 41 Ca -0.34 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.41 2q42 h LYS 41 Cb 2.02 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 34.31 2q42 h LYS 41 CO 0.09 0.07 -0.27 -0.09 -0.57 0.00 0.00 179.45 178.68 2q42 h ARG 42 N 0.11 -0.73 0.00 3.15 2.43 -1.68 -2.20 114.38 115.45 2q42 h ARG 42 Ca 0.55 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.77 2q42 h ARG 42 Cb 1.96 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.68 2q42 h ARG 42 CO -0.09 -0.44 0.00 -1.13 -1.51 0.00 0.00 179.97 176.80 2q42 n SER 43 N -5.37 0.00 -3.70 -3.80 3.41 -0.19 -4.91 113.62 99.05 2q42 n SER 43 Ca -0.12 0.04 -0.24 0.00 -0.26 0.00 0.00 58.87 58.29 2q42 n SER 43 Cb 0.33 -0.33 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 2q42 n SER 43 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2q42 n GLY 44 N 0.89 -0.51 3.30 5.00 0.00 0.15 -5.00 105.19 109.02 2q42 n GLY 44 Ca 0.11 0.24 -0.17 0.00 0.00 0.00 0.00 46.02 46.20 2q42 n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2q42 s ARG 45 N -5.94 1.19 0.37 1.61 0.52 -1.21 -5.04 118.95 110.45 2q42 s ARG 45 Ca 0.15 -1.47 -0.11 0.00 -0.52 0.00 0.00 55.73 53.78 2q42 s ARG 45 Cb -0.04 -0.96 -0.07 0.00 0.52 0.00 0.00 34.95 34.40 2q42 s ARG 45 CO 0.83 0.16 0.74 1.21 0.02 0.00 0.00 175.30 178.26 2q42 s ASN 46 N -3.06 6.56 -0.37 0.23 3.04 -1.26 -4.78 114.94 115.30 2q42 s ASN 46 Ca 0.18 1.11 -0.17 0.00 0.04 0.00 0.00 52.86 54.02 2q42 s ASN 46 Cb -0.01 -2.31 0.00 0.00 -1.54 0.00 0.00 41.25 37.39 2q42 s ASN 46 CO 0.04 -0.34 0.46 -0.22 -3.04 0.00 0.00 177.10 174.01 2q42 s LEU 47 N -3.63 4.47 -0.04 3.21 2.96 -1.26 -4.28 118.68 120.11 2q42 s LEU 47 Ca 0.51 -0.22 -0.17 0.00 -0.22 0.00 0.00 54.13 54.03 2q42 s LEU 47 Cb -0.10 -2.49 -0.31 0.00 0.50 0.00 0.00 46.19 43.79 2q42 s LEU 47 CO 0.28 -0.47 0.79 0.74 -1.32 0.00 0.00 176.35 176.37 2q42 h THR 48 N 5.63 1.22 -3.39 3.68 2.02 -1.85 -3.33 112.91 116.89 2q42 h THR 48 Ca -0.28 -2.54 -0.38 0.00 0.77 0.00 0.00 66.41 63.98 2q42 h THR 48 Cb 1.13 2.95 -0.14 0.00 -1.74 0.00 0.00 68.15 70.35 2q42 h THR 48 CO 0.76 0.76 -0.63 -0.31 0.37 0.00 0.00 175.52 176.47 2q42 s TYR 49 N -2.51 1.62 -0.23 3.16 2.02 -1.07 -0.16 117.35 120.17 2q42 s TYR 49 Ca -0.15 -1.02 -0.03 0.00 -0.37 0.00 0.00 57.07 55.51 2q42 s TYR 49 Cb 0.03 -0.97 0.11 0.00 -0.40 0.00 0.00 41.96 40.74 2q42 s TYR 49 CO 0.85 -0.13 0.28 0.42 -1.57 0.00 0.00 175.55 175.40 2q42 s ILE 50 N -3.51 -0.42 -0.17 2.71 1.01 0.01 -1.88 121.20 118.95 2q42 s ILE 50 Ca 0.33 -0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.76 2q42 s ILE 50 Cb 0.07 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 2q42 s ILE 50 CO 0.11 -0.21 0.04 -0.76 0.00 0.00 0.00 174.94 174.12 2q42 s LEU 51 N 2.40 3.73 -0.06 2.97 1.02 -0.18 0.13 118.68 128.68 2q42 s LEU 51 Ca 0.09 0.07 0.05 0.00 0.02 0.00 0.00 54.13 54.36 2q42 s LEU 51 Cb -0.15 -1.93 -0.01 0.00 0.02 0.00 0.00 46.19 44.11 2q42 s LEU 51 CO -0.16 0.20 -0.22 0.20 0.02 0.00 0.00 176.35 176.39 2q42 s ASN 52 N 0.23 3.34 0.29 2.29 -0.87 -0.14 -1.86 114.94 118.22 2q42 s ASN 52 Ca 0.03 -0.44 0.20 0.00 -1.57 0.00 0.00 52.86 51.08 2q42 s ASN 52 Cb -0.13 -0.92 0.13 0.00 -0.02 0.00 0.00 41.25 40.31 2q42 s ASN 52 CO 0.01 0.25 1.32 0.71 -2.57 0.00 0.00 177.10 176.82 2q42 h THR 53 N 4.97 0.26 -0.11 1.60 1.35 -1.88 -3.40 112.91 115.70 2q42 h THR 53 Ca -0.34 -1.40 0.26 0.00 -0.55 0.00 0.00 66.41 64.39 2q42 h THR 53 Cb 1.18 1.96 -0.28 0.00 -1.73 0.00 0.00 68.15 69.28 2q42 h THR 53 CO 0.49 0.15 0.57 -1.38 -0.25 0.00 0.00 175.52 175.10 2q42 s HIS 54 N -3.16 -0.04 0.00 4.73 -3.43 -1.26 -1.73 115.29 110.40 2q42 s HIS 54 Ca 0.03 0.06 0.00 0.00 -0.80 0.00 0.00 55.06 54.35 2q42 s HIS 54 Cb 0.07 0.02 0.00 0.00 -1.43 0.00 0.00 32.58 31.24 2q42 s HIS 54 CO 0.74 -0.02 0.38 -2.39 -2.00 0.00 0.00 174.74 171.45 2q42 n HIS 55 N 4.43 0.00 -1.34 0.38 1.44 -1.26 -4.54 115.22 114.34 2q42 n HIS 55 Ca -0.07 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.26 2q42 n HIS 55 Cb 0.56 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.70 2q42 n HIS 55 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2q42 n HIS 56 N -0.82 -1.58 -0.12 -1.40 8.25 -1.26 -4.39 115.22 113.90 2q42 n HIS 56 Ca 0.00 0.40 -0.01 0.00 -0.26 0.00 0.00 57.72 57.86 2q42 n HIS 56 Cb 0.38 -1.84 0.25 0.00 1.12 0.00 0.00 29.99 29.89 2q42 n HIS 56 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 2q42 h TYR 57 N -0.02 0.80 0.00 4.41 3.20 -1.95 0.12 116.97 123.53 2q42 h TYR 57 Ca -0.44 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.39 2q42 h TYR 57 Cb 1.40 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.42 2q42 h TYR 57 CO 0.29 0.61 0.00 -0.40 -1.64 0.00 0.00 178.16 177.02 2q42 n ASP 58 N -4.34 0.00 0.00 -2.11 5.75 -1.26 -1.68 116.55 112.90 2q42 n ASP 58 Ca 0.05 -1.59 0.00 0.00 -0.01 0.00 0.00 54.79 53.23 2q42 n ASP 58 Cb 0.15 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 2q42 n ASP 58 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2q42 n HIS 59 N -0.67 0.00 -0.60 2.11 8.25 -0.27 -4.16 115.22 119.88 2q42 n HIS 59 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2q42 n HIS 59 Cb 0.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.15 2q42 n HIS 59 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2q42 n THR 60 N -0.63 0.02 0.15 1.59 -2.24 0.26 -3.24 114.28 110.18 2q42 n THR 60 Ca 0.00 -0.21 0.16 0.00 -2.27 0.00 0.00 64.05 61.73 2q42 n THR 60 Cb 0.00 1.57 0.75 0.00 -2.10 0.00 0.00 70.33 70.54 2q42 n THR 60 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2q42 h GLY 61 N 0.00 0.00 0.21 3.38 0.00 -1.26 -1.28 103.07 104.12 2q42 h GLY 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2q42 h GLY 61 CO 0.00 0.00 -0.46 0.61 0.00 0.00 0.00 176.54 176.69 2q42 n GLY 62 N -1.51 -0.73 0.00 4.60 0.00 0.78 -4.62 105.19 103.70 2q42 n GLY 62 Ca 0.03 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2q42 n GLY 62 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2q42 n ASN 63 N -0.89 0.00 -0.29 1.61 4.13 -0.48 -1.18 115.26 118.15 2q42 n ASN 63 Ca 0.09 0.99 0.04 0.00 1.68 0.00 0.00 54.58 57.38 2q42 n ASN 63 Cb 0.36 -0.49 0.18 0.00 -1.54 0.00 0.00 39.78 38.29 2q42 n ASN 63 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2q42 h LEU 64 N 0.00 0.60 -0.08 3.41 3.38 -1.80 0.16 115.31 120.98 2q42 h LEU 64 Ca 0.00 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2q42 h LEU 64 Cb 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2q42 h LEU 64 CO 0.00 0.31 0.00 -0.08 0.09 0.00 0.00 178.44 178.77 2q42 h GLU 65 N 0.71 0.13 -0.71 1.13 4.81 -1.86 -1.44 114.58 117.36 2q42 h GLU 65 Ca 0.41 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.55 2q42 h GLU 65 Cb 0.46 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 2q42 h GLU 65 CO -0.29 0.39 0.22 -0.07 -0.73 0.00 0.00 179.01 178.53 2q42 h LEU 66 N -0.14 1.02 -0.05 1.64 3.38 -0.23 -1.36 115.31 119.56 2q42 h LEU 66 Ca 0.02 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2q42 h LEU 66 Cb 0.33 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2q42 h LEU 66 CO 0.00 0.95 0.03 0.50 0.09 0.00 0.00 178.44 180.01 2q42 h LYS 67 N 1.05 0.07 -0.79 1.13 3.64 -0.66 -1.61 116.57 119.40 2q42 h LYS 67 Ca 0.23 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2q42 h LYS 67 Cb 0.30 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 2q42 h LYS 67 CO -0.01 0.08 0.36 0.22 -2.27 0.00 0.00 179.45 177.83 2q42 h ASP 68 N 0.05 1.04 -0.33 4.20 1.82 -1.03 0.29 116.42 122.46 2q42 h ASP 68 Ca 0.02 -0.13 -0.07 0.00 -0.39 0.00 0.00 57.03 56.46 2q42 h ASP 68 Cb 0.03 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 39.76 2q42 h ASP 68 CO -0.00 0.89 -0.08 -0.09 -1.61 0.00 0.00 179.24 178.34 2q42 h ARG 69 N 1.13 0.63 0.00 0.28 2.43 -1.05 -3.34 114.38 114.46 2q42 h ARG 69 Ca 0.27 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2q42 h ARG 69 Cb 0.14 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2q42 h ARG 69 CO -0.03 0.81 -0.84 0.66 -1.51 0.00 0.00 179.97 179.05 2q42 n TYR 70 N -4.44 0.00 -2.03 2.20 4.01 -0.63 -4.98 117.16 111.30 2q42 n TYR 70 Ca -0.02 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.63 2q42 n TYR 70 Cb 0.33 -0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 39.31 2q42 n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2q42 n GLY 71 N 1.39 0.17 3.80 2.72 0.00 1.00 -4.76 105.19 109.50 2q42 n GLY 71 Ca 0.02 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 2q42 n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q42 s ALA 72 N -2.41 2.43 -0.18 4.61 0.00 -1.17 -4.97 121.76 120.07 2q42 s ALA 72 Ca 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.92 2q42 s ALA 72 Cb 0.00 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 2q42 s ALA 72 CO 0.00 -1.51 0.07 0.15 0.00 0.00 0.00 175.76 174.47 2q42 s LYS 73 N -5.04 3.92 -0.23 0.00 -0.14 0.77 -4.76 119.74 114.26 2q42 s LYS 73 Ca 0.60 -0.32 -0.17 0.00 -1.36 0.00 0.00 55.97 54.72 2q42 s LYS 73 Cb -0.15 -3.21 -0.03 0.00 -1.68 0.00 0.00 37.83 32.76 2q42 s LYS 73 CO 0.55 0.33 0.46 0.08 -0.76 0.00 0.00 175.35 176.01 2q42 s VAL 74 N 0.21 5.13 -0.17 3.17 1.01 -1.26 -0.81 120.40 127.69 2q42 s VAL 74 Ca 0.05 0.81 -0.05 0.00 0.00 0.00 0.00 61.98 62.79 2q42 s VAL 74 Cb -0.12 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 2q42 s VAL 74 CO 0.00 0.17 -0.01 -0.63 0.00 0.00 0.00 175.10 174.63 2q42 s ILE 75 N 1.80 3.99 0.38 2.22 -1.09 0.35 -0.86 121.20 127.99 2q42 s ILE 75 Ca 0.20 -0.31 -0.13 0.00 -2.23 0.00 0.00 60.65 58.18 2q42 s ILE 75 Cb -0.15 -2.78 0.04 0.00 -1.58 0.00 0.00 42.46 37.99 2q42 s ILE 75 CO 0.09 0.47 0.72 -0.83 -1.23 0.00 0.00 174.94 174.15 2q42 s GLY 76 N 0.60 0.62 0.12 6.18 0.00 -0.90 -0.96 107.32 112.99 2q42 s GLY 76 Ca -0.01 -0.92 -0.30 0.00 0.00 0.00 0.00 44.72 43.48 2q42 s GLY 76 CO 0.02 -0.47 1.24 -0.45 0.00 0.00 0.00 173.10 173.44 2q42 s SER 77 N -3.11 7.03 0.33 1.64 0.15 -1.26 -0.52 113.70 117.96 2q42 s SER 77 Ca 0.19 2.17 0.02 0.00 0.70 0.00 0.00 55.95 59.02 2q42 s SER 77 Cb -0.04 -2.59 0.58 0.00 -1.71 0.00 0.00 66.02 62.26 2q42 s SER 77 CO 0.13 -0.47 1.97 0.00 1.20 0.00 0.00 173.24 176.07 2q42 h ALA 78 N 6.17 1.54 -0.79 5.45 0.00 -1.56 -1.42 119.26 128.66 2q42 h ALA 78 Ca -0.43 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 54.59 2q42 h ALA 78 Cb 1.21 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 2q42 h ALA 78 CO 0.79 0.39 0.52 0.52 0.00 0.00 0.00 179.25 181.48 2q42 h MET 79 N 0.94 0.45 -0.31 0.00 2.86 -1.89 -1.40 114.93 115.59 2q42 h MET 79 Ca 0.30 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.83 2q42 h MET 79 Cb 0.04 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.54 2q42 h MET 79 CO -0.09 0.30 -0.00 -0.25 1.06 0.00 0.00 176.91 177.93 2q42 n ASP 80 N -4.49 3.37 -0.32 1.22 8.00 -0.62 -4.76 116.55 118.94 2q42 n ASP 80 Ca 0.15 -3.30 0.21 0.00 0.71 0.00 0.00 54.79 52.57 2q42 n ASP 80 Cb 0.53 -0.59 0.48 0.00 -0.02 0.00 0.00 41.12 41.53 2q42 n ASP 80 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 2q42 h LYS 81 N 1.46 0.42 -0.00 -1.24 3.64 -0.36 0.81 116.57 121.30 2q42 h LYS 81 Ca 0.10 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2q42 h LYS 81 Cb 1.56 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 2q42 h LYS 81 CO 0.31 0.28 -0.05 -0.25 -2.27 0.00 0.00 179.45 177.47 2q42 n ASP 82 N -4.66 0.36 -0.20 4.20 8.00 -1.26 -3.71 116.55 119.29 2q42 n ASP 82 Ca 0.25 -0.70 0.06 0.00 0.71 0.00 0.00 54.79 55.11 2q42 n ASP 82 Cb 0.84 -0.09 -0.02 0.00 -0.02 0.00 0.00 41.12 41.84 2q42 n ASP 82 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2q42 n ARG 83 N -0.91 2.32 -3.22 -1.24 1.74 0.28 -4.91 116.66 110.72 2q42 n ARG 83 Ca 0.17 -0.49 -0.43 0.00 -0.77 0.00 0.00 57.85 56.34 2q42 n ARG 83 Cb 0.24 -1.11 -0.08 0.00 -1.02 0.00 0.00 32.46 30.49 2q42 n ARG 83 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2q42 s ILE 84 N -1.64 4.96 0.19 0.55 -1.09 -0.91 -4.67 121.20 118.59 2q42 s ILE 84 Ca 0.08 -0.04 -0.32 0.00 -2.23 0.00 0.00 60.65 58.15 2q42 s ILE 84 Cb 0.09 -4.10 -0.12 0.00 -1.58 0.00 0.00 42.46 36.75 2q42 s ILE 84 CO 0.33 -0.47 1.76 -2.65 -1.23 0.00 0.00 174.94 172.69 2q42 n PRO 85 N 5.91 2.81 -1.34 2.79 -0.02 -1.26 -2.63 135.00 141.25 2q42 n PRO 85 Ca -0.04 1.01 -0.12 0.00 -2.02 0.00 0.00 63.50 62.33 2q42 n PRO 85 Cb 0.48 -2.88 -0.05 0.00 -0.02 0.00 0.00 33.50 31.03 2q42 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2q42 n GLY 86 N 4.05 1.28 3.74 -1.23 0.00 -1.26 -4.46 105.19 107.31 2q42 n GLY 86 Ca 0.16 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 2q42 n GLY 86 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2q42 s ILE 87 N -2.42 2.27 -0.16 -0.61 2.07 -1.08 -4.44 121.20 116.83 2q42 s ILE 87 Ca 0.00 0.22 -0.14 0.00 -1.41 0.00 0.00 60.65 59.31 2q42 s ILE 87 Cb 0.00 -3.14 -0.05 0.00 0.13 0.00 0.00 42.46 39.40 2q42 s ILE 87 CO 0.00 0.03 -0.28 0.47 -1.91 0.00 0.00 174.94 173.25 2q42 n ASP 88 N 2.69 1.76 -4.37 4.50 8.00 -0.04 -4.94 116.55 124.15 2q42 n ASP 88 Ca 0.10 0.40 -0.32 0.00 0.71 0.00 0.00 54.79 55.67 2q42 n ASP 88 Cb 0.38 -0.76 -0.15 0.00 -0.02 0.00 0.00 41.12 40.57 2q42 n ASP 88 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 2q42 s MET 89 N -2.58 2.96 -0.18 -1.24 1.75 -0.97 -5.03 119.30 114.00 2q42 s MET 89 Ca -0.23 -0.75 -0.04 0.00 -1.25 0.00 0.00 55.69 53.43 2q42 s MET 89 Cb 0.03 -2.44 -0.02 0.00 2.84 0.00 0.00 34.83 35.24 2q42 s MET 89 CO 0.34 0.35 -0.04 0.00 -0.65 0.00 0.00 175.02 175.02 2q42 s ALA 90 N -0.04 2.91 -0.07 4.11 0.00 -1.26 -2.11 121.76 125.30 2q42 s ALA 90 Ca -0.04 -0.96 -0.02 0.00 0.00 0.00 0.00 51.96 50.93 2q42 s ALA 90 Cb -0.14 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 2q42 s ALA 90 CO 0.04 -0.04 0.04 -0.51 0.00 0.00 0.00 175.76 175.29 2q42 s LEU 91 N 0.82 3.74 0.39 0.00 1.43 0.32 -4.59 118.68 120.80 2q42 s LEU 91 Ca -0.01 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 2q42 s LEU 91 Cb -0.15 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 2q42 s LEU 91 CO 0.02 0.36 0.60 -0.54 0.23 0.00 0.00 176.35 177.01 2q42 s LYS 92 N -1.12 3.30 0.26 1.70 3.01 -1.26 -1.63 119.74 123.99 2q42 s LYS 92 Ca 0.16 -0.42 -0.30 0.00 -1.01 0.00 0.00 55.97 54.39 2q42 s LYS 92 Cb -0.12 -2.62 -0.11 0.00 -1.01 0.00 0.00 37.83 33.97 2q42 s LYS 92 CO 0.05 -0.03 1.57 0.34 0.51 0.00 0.00 175.35 177.79 2q42 s ASP 93 N -4.12 6.47 0.00 2.83 2.15 -1.26 -2.57 116.67 120.17 2q42 s ASP 93 Ca 0.44 2.83 0.00 0.00 0.43 0.00 0.00 52.55 56.25 2q42 s ASP 93 Cb -0.10 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 2q42 s ASP 93 CO 0.37 -0.86 0.00 0.61 -0.17 0.00 0.00 175.17 175.12 2q42 n GLY 94 N 2.60 0.89 3.73 2.66 0.00 -0.33 -4.98 105.19 109.76 2q42 n GLY 94 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2q42 n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2q42 s ASP 95 N -2.96 3.90 -0.45 1.61 1.01 -1.06 -4.74 116.67 113.98 2q42 s ASP 95 Ca 0.00 1.99 0.03 0.00 0.71 0.00 0.00 52.55 55.28 2q42 s ASP 95 Cb 0.00 -2.54 0.13 0.00 1.01 0.00 0.00 42.92 41.51 2q42 s ASP 95 CO 0.00 -2.44 0.22 -0.75 0.21 0.00 0.00 175.17 172.40 2q42 s LYS 96 N -4.74 1.50 0.92 8.23 2.20 -1.26 -1.64 119.74 124.95 2q42 s LYS 96 Ca 0.64 -2.13 -0.15 0.00 -0.36 0.00 0.00 55.97 53.97 2q42 s LYS 96 Cb -0.20 -2.73 0.17 0.00 -1.51 0.00 0.00 37.83 33.56 2q42 s LYS 96 CO 0.56 -1.11 1.28 -0.46 -0.36 0.00 0.00 175.35 175.26 2q42 s TRP 97 N 0.28 1.97 -0.22 4.03 -0.00 0.25 -4.82 118.94 120.43 2q42 s TRP 97 Ca 0.16 0.43 -0.04 0.00 -0.00 0.00 0.00 56.10 56.66 2q42 s TRP 97 Cb -0.24 -3.94 0.07 0.00 -0.00 0.00 0.00 33.47 29.36 2q42 s TRP 97 CO -0.02 -2.40 0.08 -1.64 -0.00 0.00 0.00 176.95 172.97 2q42 s MET 98 N -5.80 0.36 -0.56 5.86 -1.94 -1.26 -1.42 119.30 114.55 2q42 s MET 98 Ca 0.71 -0.42 -0.24 0.00 -1.71 0.00 0.00 55.69 54.03 2q42 s MET 98 Cb -0.06 -1.79 0.04 0.00 2.01 0.00 0.00 34.83 35.03 2q42 s MET 98 CO 0.52 -0.78 0.93 0.12 -0.01 0.00 0.00 175.02 175.80 2q42 s PHE 99 N 1.97 2.79 -1.61 -0.03 5.36 -1.10 -3.77 117.98 121.59 2q42 s PHE 99 Ca 0.04 -0.06 -0.17 0.00 -0.96 0.00 0.00 56.93 55.78 2q42 s PHE 99 Cb -0.17 -4.07 0.14 0.00 -0.34 0.00 0.00 43.02 38.58 2q42 s PHE 99 CO -0.17 -1.36 0.76 0.00 -1.46 0.00 0.00 175.22 172.99 2q42 n ALA 100 N 7.44 -1.22 0.00 11.12 0.00 -1.26 -2.04 120.51 134.56 2q42 n ALA 100 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2q42 n ALA 100 Cb 0.47 -3.46 0.00 0.00 0.00 0.00 0.00 19.45 16.46 2q42 n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2q42 n GLY 101 N -1.37 2.11 3.47 0.00 0.00 -1.25 -4.99 105.19 103.17 2q42 n GLY 101 Ca 0.06 -0.33 -0.50 0.00 0.00 0.00 0.00 46.02 45.25 2q42 n GLY 101 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2q42 n HIS 102 N 0.00 0.18 -1.67 1.61 -0.00 -0.87 -4.74 115.22 109.73 2q42 n HIS 102 Ca 0.00 0.93 -0.47 0.00 -0.00 0.00 0.00 57.72 58.17 2q42 n HIS 102 Cb 0.00 -2.06 -0.05 0.00 -0.00 0.00 0.00 29.99 27.88 2q42 n HIS 102 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2q42 n GLU 103 N 1.19 2.13 -3.98 -0.41 1.02 -1.26 -2.71 120.64 116.62 2q42 n GLU 103 Ca 0.17 0.78 -0.32 0.00 -0.02 0.00 0.00 57.16 57.77 2q42 n GLU 103 Cb 0.22 -2.58 -0.14 0.00 -0.02 0.00 0.00 31.44 28.91 2q42 n GLU 103 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2q42 s VAL 104 N 2.49 2.46 -0.27 2.62 1.01 -0.51 -4.46 120.40 123.75 2q42 s VAL 104 Ca 0.86 -2.25 -0.10 0.00 0.00 0.00 0.00 61.98 60.48 2q42 s VAL 104 Cb -0.70 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 2q42 s VAL 104 CO 0.45 -0.58 0.17 -1.00 0.00 0.00 0.00 175.10 174.14 2q42 s HIS 105 N 0.96 3.21 -0.06 5.22 3.76 -0.81 0.85 115.29 128.41 2q42 s HIS 105 Ca 0.09 0.05 -0.21 0.00 -0.15 0.00 0.00 55.06 54.84 2q42 s HIS 105 Cb -0.20 -2.35 -0.04 0.00 1.11 0.00 0.00 32.58 31.10 2q42 s HIS 105 CO -0.07 -0.17 0.61 0.08 -0.85 0.00 0.00 174.74 174.34 2q42 s VAL 106 N 1.69 5.04 -0.12 -0.90 1.01 -0.65 0.07 120.40 126.54 2q42 s VAL 106 Ca 0.07 1.25 0.01 0.00 0.00 0.00 0.00 61.98 63.31 2q42 s VAL 106 Cb -0.16 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 2q42 s VAL 106 CO 0.09 0.32 -0.13 -0.04 0.00 0.00 0.00 175.10 175.34 2q42 s MET 107 N 0.46 3.24 -0.27 2.72 -1.94 0.43 -1.19 119.30 122.75 2q42 s MET 107 Ca 0.32 -0.69 -0.29 0.00 -1.71 0.00 0.00 55.69 53.33 2q42 s MET 107 Cb -0.17 -2.59 0.01 0.00 2.01 0.00 0.00 34.83 34.09 2q42 s MET 107 CO 0.16 0.28 1.12 0.34 -0.01 0.00 0.00 175.02 176.91 2q42 s ASP 108 N 0.18 6.94 -0.49 3.03 -1.08 -1.26 -1.57 116.67 122.41 2q42 s ASP 108 Ca -0.08 1.24 0.08 0.00 -0.52 0.00 0.00 52.55 53.27 2q42 s ASP 108 Cb -0.15 -2.54 0.31 0.00 -1.46 0.00 0.00 42.92 39.08 2q42 s ASP 108 CO 0.05 -0.84 0.77 0.35 0.52 0.00 0.00 175.17 176.02 2q42 n THR 109 N 5.72 1.28 -1.09 1.71 -2.24 -1.06 -4.89 114.28 113.71 2q42 n THR 109 Ca 0.13 -4.93 -0.32 0.00 -2.27 0.00 0.00 64.05 56.66 2q42 n THR 109 Cb 0.46 -1.27 0.12 0.00 -2.10 0.00 0.00 70.33 67.54 2q42 n THR 109 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2q42 s PRO 110 N -2.57 1.77 0.00 -0.78 0.04 -1.25 -4.63 135.00 127.59 2q42 s PRO 110 Ca 0.42 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2q42 s PRO 110 Cb 0.26 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.98 2q42 s PRO 110 CO -0.09 -2.05 0.00 0.41 0.04 0.00 0.00 177.00 175.31 2q42 n GLY 111 N -0.35 0.67 0.24 0.56 0.00 -1.26 -3.70 105.19 101.35 2q42 n GLY 111 Ca 0.11 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 2q42 n GLY 111 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2q42 h HIS 112 N 0.00 -0.49 -1.58 1.61 -0.00 -1.82 -2.81 115.15 110.06 2q42 h HIS 112 Ca 0.00 -0.01 -0.61 0.00 -0.00 0.00 0.00 60.37 59.75 2q42 h HIS 112 Cb 0.00 0.16 -0.13 0.00 -0.00 0.00 0.00 27.41 27.44 2q42 h HIS 112 CO 0.00 -0.17 -0.56 0.95 -0.00 0.00 0.00 177.93 178.15 2q42 s THR 113 N -4.22 1.37 -0.57 6.26 -4.23 -1.26 -1.32 115.64 111.67 2q42 s THR 113 Ca -0.13 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.27 2q42 s THR 113 Cb 0.01 -2.59 0.15 0.00 1.34 0.00 0.00 72.50 71.41 2q42 s THR 113 CO 0.45 0.00 0.48 -0.75 -0.54 0.00 0.00 174.62 174.26 2q42 s LYS 114 N -3.80 2.86 0.00 3.99 2.20 -1.26 -3.87 119.74 119.86 2q42 s LYS 114 Ca 0.24 -1.95 0.00 0.00 -0.36 0.00 0.00 55.97 53.90 2q42 s LYS 114 Cb 0.06 -4.12 0.00 0.00 -1.51 0.00 0.00 37.83 32.26 2q42 s LYS 114 CO 0.12 -1.25 0.00 0.41 -0.36 0.00 0.00 175.35 174.27 2q42 n GLY 115 N 4.72 0.52 3.75 5.54 0.00 -1.26 -4.85 105.19 113.61 2q42 n GLY 115 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 2q42 n GLY 115 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2q42 s HIS 116 N -0.06 2.97 0.34 1.61 2.46 -1.25 -4.69 115.29 116.68 2q42 s HIS 116 Ca 0.00 1.08 0.05 0.00 0.47 0.00 0.00 55.06 56.67 2q42 s HIS 116 Cb 0.00 -3.83 -0.07 0.00 -0.13 0.00 0.00 32.58 28.55 2q42 s HIS 116 CO 0.00 -2.62 0.02 0.96 -2.47 0.00 0.00 174.74 170.63 2q42 s ILE 117 N -0.27 1.51 0.06 0.89 -4.36 -0.71 -2.57 121.20 115.76 2q42 s ILE 117 Ca 0.57 -2.02 0.05 0.00 -0.26 0.00 0.00 60.65 58.99 2q42 s ILE 117 Cb -0.42 -2.79 -0.03 0.00 1.25 0.00 0.00 42.46 40.47 2q42 s ILE 117 CO 0.47 -0.05 -0.13 -0.44 0.24 0.00 0.00 174.94 175.02 2q42 s SER 118 N -3.54 1.56 -0.22 4.36 0.01 -0.61 -4.70 113.70 110.56 2q42 s SER 118 Ca 0.35 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.05 2q42 s SER 118 Cb 0.08 -0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.29 2q42 s SER 118 CO 0.16 -0.06 -0.13 -0.76 0.41 0.00 0.00 173.24 172.85 2q42 s LEU 119 N -1.56 2.72 -0.16 2.44 1.43 -0.98 -0.43 118.68 122.15 2q42 s LEU 119 Ca -0.02 -0.82 -0.14 0.00 -1.03 0.00 0.00 54.13 52.12 2q42 s LEU 119 Cb -0.09 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 2q42 s LEU 119 CO 0.02 -0.07 0.30 -0.47 0.23 0.00 0.00 176.35 176.36 2q42 s TYR 120 N 1.28 3.46 -0.73 0.29 5.04 0.11 -0.71 117.35 126.09 2q42 s TYR 120 Ca 0.01 0.60 0.04 0.00 -2.44 0.00 0.00 57.07 55.28 2q42 s TYR 120 Cb -0.15 -2.36 0.22 0.00 0.35 0.00 0.00 41.96 40.02 2q42 s TYR 120 CO -0.08 0.22 0.71 1.19 -1.34 0.00 0.00 175.55 176.24 2q42 n PHE 121 N 3.63 3.51 -0.27 4.97 3.72 0.17 -1.92 117.46 131.27 2q42 n PHE 121 Ca -0.12 -4.12 0.25 0.00 -0.05 0.00 0.00 57.45 53.42 2q42 n PHE 121 Cb 0.52 -0.71 0.60 0.00 -0.94 0.00 0.00 39.48 38.94 2q42 n PHE 121 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2q42 h PRO 122 N 4.95 0.24 0.00 -1.08 0.13 -1.79 0.07 132.00 134.53 2q42 h PRO 122 Ca 0.18 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.28 2q42 h PRO 122 Cb 0.71 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 2q42 h PRO 122 CO 0.83 0.16 -0.05 0.78 -0.23 0.00 0.00 178.00 179.48 2q42 h GLY 123 N 0.25 0.00 -0.18 1.56 0.00 -1.92 -1.97 103.07 100.80 2q42 h GLY 123 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 2q42 h GLY 123 CO -0.15 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.83 2q42 n SER 124 N -3.37 2.45 -4.01 0.19 7.64 -0.04 -4.93 113.62 111.54 2q42 n SER 124 Ca -0.02 -2.86 -0.45 0.00 1.01 0.00 0.00 58.87 56.55 2q42 n SER 124 Cb 0.20 -0.36 0.02 0.00 -1.01 0.00 0.00 64.21 63.07 2q42 n SER 124 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2q42 n ARG 125 N -1.14 -0.39 -3.67 1.43 1.74 -0.74 -4.88 116.66 109.00 2q42 n ARG 125 Ca 0.14 0.14 -0.14 0.00 -0.77 0.00 0.00 57.85 57.21 2q42 n ARG 125 Cb 0.59 -2.77 -0.08 0.00 -1.02 0.00 0.00 32.46 29.18 2q42 n ARG 125 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2q42 s ALA 126 N -3.51 -1.46 0.03 7.54 0.00 -1.09 -1.56 121.76 121.70 2q42 s ALA 126 Ca 0.49 1.67 0.05 0.00 0.00 0.00 0.00 51.96 54.16 2q42 s ALA 126 Cb -0.26 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 2q42 s ALA 126 CO 0.96 -0.28 -0.14 -1.50 0.00 0.00 0.00 175.76 174.80 2q42 s ILE 127 N 0.30 1.10 -0.28 0.00 2.07 -0.70 0.43 121.20 124.12 2q42 s ILE 127 Ca -0.00 -0.92 -0.18 0.00 -1.41 0.00 0.00 60.65 58.13 2q42 s ILE 127 Cb -0.04 -0.98 -0.02 0.00 0.13 0.00 0.00 42.46 41.55 2q42 s ILE 127 CO 0.01 0.05 0.53 -0.36 -1.91 0.00 0.00 174.94 173.26 2q42 s PHE 128 N -0.76 3.25 -1.91 3.50 0.08 0.11 -1.98 117.98 120.26 2q42 s PHE 128 Ca 0.02 0.56 0.17 0.00 0.12 0.00 0.00 56.93 57.81 2q42 s PHE 128 Cb -0.07 -2.79 0.08 0.00 -0.57 0.00 0.00 43.02 39.67 2q42 s PHE 128 CO 0.01 -0.34 0.98 0.25 -0.10 0.00 0.00 175.22 176.01 2q42 n THR 129 N 5.23 0.00 -0.53 0.64 -2.24 -0.85 -2.31 114.28 114.22 2q42 n THR 129 Ca -0.04 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2q42 n THR 129 Cb 0.49 1.29 0.00 0.00 -2.10 0.00 0.00 70.33 70.02 2q42 n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2q42 n GLY 130 N 1.06 2.77 1.69 3.38 0.00 -1.26 -1.41 105.19 111.42 2q42 n GLY 130 Ca 0.09 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2q42 n GLY 130 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2q42 n ASP 131 N 1.91 3.09 -0.09 1.61 9.92 -1.26 -1.05 116.55 130.67 2q42 n ASP 131 Ca 0.00 -3.71 -0.13 0.00 -0.53 0.00 0.00 54.79 50.42 2q42 n ASP 131 Cb 0.00 -0.74 -0.06 0.00 -0.64 0.00 0.00 41.12 39.69 2q42 n ASP 131 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2q42 n THR 132 N -1.14 1.47 -4.43 -3.53 -1.04 -0.50 -2.30 114.28 102.82 2q42 n THR 132 Ca 0.46 0.09 -0.29 0.00 -2.04 0.00 0.00 64.05 62.27 2q42 n THR 132 Cb 1.34 -2.23 -0.17 0.00 -1.82 0.00 0.00 70.33 67.46 2q42 n THR 132 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 2q42 s MET 133 N -2.36 2.34 0.54 -2.82 -2.45 -1.23 -1.61 119.30 111.72 2q42 s MET 133 Ca -0.22 -0.60 0.07 0.00 -1.25 0.00 0.00 55.69 53.68 2q42 s MET 133 Cb 0.04 -2.00 0.07 0.00 1.25 0.00 0.00 34.83 34.20 2q42 s MET 133 CO 0.38 -0.08 0.59 1.19 1.05 0.00 0.00 175.02 178.16 2q42 n PHE 134 N 4.26 -1.51 -2.55 4.11 3.72 -0.48 -4.63 117.46 120.38 2q42 n PHE 134 Ca -0.19 -2.13 -0.43 0.00 -0.05 0.00 0.00 57.45 54.66 2q42 n PHE 134 Cb 0.51 -0.48 -0.02 0.00 -0.94 0.00 0.00 39.48 38.55 2q42 n PHE 134 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2q42 s SER 135 N -4.28 7.07 -0.51 4.37 0.15 -1.26 -3.38 113.70 115.86 2q42 s SER 135 Ca 0.45 1.58 0.00 0.00 0.70 0.00 0.00 55.95 58.68 2q42 s SER 135 Cb -0.04 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2q42 s SER 135 CO 0.29 -0.65 0.00 0.18 1.20 0.00 0.00 173.24 174.26 2q42 n LEU 136 N 6.00 -0.14 0.00 3.45 4.77 -1.26 -4.43 117.00 125.38 2q42 n LEU 136 Ca 0.12 0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 56.13 2q42 n LEU 136 Cb 0.46 -1.45 0.03 0.00 -2.33 0.00 0.00 43.42 40.13 2q42 n LEU 136 CO 0.54 -0.46 0.52 -0.24 -1.33 0.00 0.00 177.39 176.43 2q42 n SER 137 N 0.08 -2.24 -4.38 -1.43 2.88 -1.22 -4.42 113.62 102.89 2q42 n SER 137 Ca -0.05 -2.55 -0.22 0.00 -1.33 0.00 0.00 58.87 54.72 2q42 n SER 137 Cb 0.26 3.74 -0.10 0.00 -0.75 0.00 0.00 64.21 67.36 2q42 n SER 137 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2q42 s GLY 139 N -3.52 2.02 0.50 0.00 0.00 -0.63 -4.78 107.32 100.91 2q42 s GLY 139 Ca 0.33 0.43 -0.22 0.00 0.00 0.00 0.00 44.72 45.26 2q42 s GLY 139 CO 0.15 0.77 1.28 0.54 0.00 0.00 0.00 173.10 175.84 2q42 s LYS 140 N -4.33 3.43 -0.34 2.90 1.02 -1.26 -4.79 119.74 116.37 2q42 s LYS 140 Ca 0.65 2.04 -0.24 0.00 0.02 0.00 0.00 55.97 58.44 2q42 s LYS 140 Cb -0.19 -2.34 0.01 0.00 -0.52 0.00 0.00 37.83 34.79 2q42 s LYS 140 CO 0.45 -0.90 0.80 -0.51 -0.92 0.00 0.00 175.35 174.28 2q42 s LEU 141 N -3.27 4.09 -0.02 3.17 1.43 -1.26 -4.40 118.68 118.41 2q42 s LEU 141 Ca 0.68 0.54 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 2q42 s LEU 141 Cb -0.35 -3.08 -0.02 0.00 0.03 0.00 0.00 46.19 42.76 2q42 s LEU 141 CO 0.42 -0.69 -0.01 0.49 0.23 0.00 0.00 176.35 176.80 2q42 n PHE 142 N 6.36 0.00 0.00 0.29 3.72 -0.44 -4.87 117.46 122.52 2q42 n PHE 142 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2q42 n PHE 142 Cb 0.48 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 2q42 n PHE 142 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2q42 n GLU 143 N -2.28 3.26 -3.11 -1.08 1.02 -0.48 -5.01 120.64 112.97 2q42 n GLU 143 Ca -0.04 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.93 2q42 n GLU 143 Cb 0.57 -0.60 -0.01 0.00 -0.02 0.00 0.00 31.44 31.38 2q42 n GLU 143 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2q42 n GLY 144 N 1.19 3.08 3.81 0.62 0.00 -1.06 -4.62 105.19 108.21 2q42 n GLY 144 Ca 0.00 -2.26 -0.22 0.00 0.00 0.00 0.00 46.02 43.54 2q42 n GLY 144 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2q42 s THR 145 N -1.80 3.03 0.32 2.61 -4.23 -1.26 -4.93 115.64 109.39 2q42 s THR 145 Ca 0.15 -1.50 0.01 0.00 -1.18 0.00 0.00 61.69 59.17 2q42 s THR 145 Cb -0.01 -3.05 0.21 0.00 1.34 0.00 0.00 72.50 70.98 2q42 s THR 145 CO 0.09 -0.12 1.92 -0.65 -0.54 0.00 0.00 174.62 175.33 2q42 h PRO 146 N 1.31 0.77 -0.48 3.99 0.11 -1.94 -1.51 132.00 134.26 2q42 h PRO 146 Ca -0.43 -0.10 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 2q42 h PRO 146 Cb 1.26 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2q42 h PRO 146 CO 0.61 0.62 0.29 -0.22 -0.21 0.00 0.00 178.00 179.08 2q42 h LYS 147 N 0.77 0.65 -0.38 1.05 3.64 -1.95 0.73 116.57 121.08 2q42 h LYS 147 Ca 0.19 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 2q42 h LYS 147 Cb 0.12 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2q42 h LYS 147 CO -0.02 0.48 0.15 1.96 -2.27 0.00 0.00 179.45 179.75 2q42 h GLN 148 N 0.64 0.56 -0.84 1.90 4.20 -1.77 -2.22 115.11 117.58 2q42 h GLN 148 Ca 0.17 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 2q42 h GLN 148 Cb -0.00 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 2q42 h GLN 148 CO -0.03 0.54 0.40 1.98 -0.67 0.00 0.00 178.83 181.04 2q42 h MET 149 N 0.47 1.22 0.10 1.46 4.05 -1.03 0.14 114.93 121.33 2q42 h MET 149 Ca 0.13 -0.18 -0.00 0.00 -0.28 0.00 0.00 59.70 59.36 2q42 h MET 149 Cb 0.18 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 30.77 2q42 h MET 149 CO -0.01 0.94 -0.05 1.25 0.23 0.00 0.00 176.91 179.27 2q42 h LEU 150 N 1.20 -0.12 -1.09 3.39 5.85 -0.63 0.78 115.31 124.70 2q42 h LEU 150 Ca 0.29 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 59.01 2q42 h LEU 150 Cb 0.13 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 2q42 h LEU 150 CO -0.04 -0.00 0.62 0.00 -0.34 0.00 0.00 178.44 178.68 2q42 h ALA 151 N 0.67 1.49 -0.39 1.25 0.00 -1.11 0.35 119.26 121.52 2q42 h ALA 151 Ca -0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2q42 h ALA 151 Cb 0.18 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2q42 h ALA 151 CO 0.02 0.34 -0.01 0.77 0.00 0.00 0.00 179.25 180.38 2q42 h SER 152 N 1.06 0.69 -0.14 0.00 0.02 -0.13 -0.07 113.55 114.99 2q42 h SER 152 Ca 0.42 -0.32 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 2q42 h SER 152 Cb 0.26 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2q42 h SER 152 CO -0.18 0.84 -0.31 -0.07 -1.14 0.00 0.00 176.83 175.97 2q42 h LEU 153 N 0.52 0.65 -0.86 5.07 3.38 0.01 -1.85 115.31 122.23 2q42 h LEU 153 Ca 0.11 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 2q42 h LEU 153 Cb 0.49 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2q42 h LEU 153 CO 0.02 0.92 -0.25 1.56 0.09 0.00 0.00 178.44 180.78 2q42 h GLN 154 N 0.53 0.56 -0.36 1.13 4.20 -0.12 0.43 115.11 121.48 2q42 h GLN 154 Ca 0.06 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 2q42 h GLN 154 Cb 0.80 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 2q42 h GLN 154 CO 0.07 0.76 0.19 0.87 -0.67 0.00 0.00 178.83 180.05 2q42 h LYS 155 N 0.49 0.51 -0.60 1.46 1.57 -0.65 -0.53 116.57 118.82 2q42 h LYS 155 Ca 0.07 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 2q42 h LYS 155 Cb 0.69 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 2q42 h LYS 155 CO 0.05 0.43 -0.02 0.82 -0.57 0.00 0.00 179.45 180.17 2q42 h ILE 156 N 0.45 1.27 0.00 1.86 2.04 -1.11 -2.90 117.51 119.12 2q42 h ILE 156 Ca 0.13 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.81 2q42 h ILE 156 Cb 0.08 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2q42 h ILE 156 CO -0.02 0.42 0.00 0.35 0.00 0.00 0.00 178.15 178.91 2q42 n THR 157 N -4.17 0.60 0.23 -0.27 -2.24 0.12 -2.34 114.28 106.21 2q42 n THR 157 Ca 0.03 -0.01 0.13 0.00 -2.27 0.00 0.00 64.05 61.93 2q42 n THR 157 Cb 0.36 -0.79 0.32 0.00 -2.10 0.00 0.00 70.33 68.12 2q42 n THR 157 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2q42 h SER 158 N 0.00 0.00 -3.68 3.42 0.02 -0.88 -3.45 113.55 108.98 2q42 h SER 158 Ca 0.00 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.48 2q42 h SER 158 Cb 0.52 0.00 0.20 0.00 0.14 0.00 0.00 62.40 63.26 2q42 h SER 158 CO 0.00 0.06 0.10 -0.76 -1.14 0.00 0.00 176.83 175.09 2q42 s LEU 159 N -6.26 1.66 0.44 5.07 1.43 -0.99 -4.90 118.68 115.13 2q42 s LEU 159 Ca 0.05 1.79 -0.24 0.00 -1.03 0.00 0.00 54.13 54.69 2q42 s LEU 159 Cb 0.07 -3.89 -0.09 0.00 0.03 0.00 0.00 46.19 42.30 2q42 s LEU 159 CO 0.64 -3.74 1.17 -2.65 0.23 0.00 0.00 176.35 172.01 2q42 n PRO 160 N -4.63 1.66 0.20 1.29 -0.02 -1.26 -4.85 135.00 127.39 2q42 n PRO 160 Ca 0.07 0.59 0.17 0.00 -2.02 0.00 0.00 63.50 62.31 2q42 n PRO 160 Cb 0.53 -2.27 0.82 0.00 -0.02 0.00 0.00 33.50 32.56 2q42 n PRO 160 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2q42 h ASP 161 N 1.76 0.00 -0.43 2.55 5.19 -1.90 -1.10 116.42 122.49 2q42 h ASP 161 Ca -0.47 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 55.84 2q42 h ASP 161 Cb 1.31 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.76 2q42 h ASP 161 CO 0.58 0.00 0.13 -0.90 -3.12 0.00 0.00 179.24 175.93 2q42 n ASP 162 N -3.87 3.71 -4.72 6.45 5.75 -1.26 -2.34 116.55 120.26 2q42 n ASP 162 Ca 0.02 -2.69 -0.40 0.00 -0.01 0.00 0.00 54.79 51.71 2q42 n ASP 162 Cb 0.32 -0.64 -0.05 0.00 -1.03 0.00 0.00 41.12 39.72 2q42 n ASP 162 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2q42 s THR 163 N -2.02 5.02 0.07 2.12 2.01 -0.42 -4.92 115.64 117.49 2q42 s THR 163 Ca 0.33 1.43 -0.27 0.00 0.31 0.00 0.00 61.69 63.49 2q42 s THR 163 Cb 0.26 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 2q42 s THR 163 CO 0.08 0.27 0.85 -0.44 -0.69 0.00 0.00 174.62 174.70 2q42 s SER 164 N 0.65 7.33 -0.25 3.53 0.01 -0.60 -2.15 113.70 122.23 2q42 s SER 164 Ca 0.37 1.59 -0.05 0.00 1.31 0.00 0.00 55.95 59.17 2q42 s SER 164 Cb -0.18 -2.52 -0.00 0.00 0.21 0.00 0.00 66.02 63.53 2q42 s SER 164 CO 0.18 -0.03 0.01 -0.63 0.41 0.00 0.00 173.24 173.18 2q42 s ILE 165 N 0.02 3.66 -0.47 1.44 1.01 0.16 -1.72 121.20 125.30 2q42 s ILE 165 Ca 0.42 -0.55 -0.12 0.00 0.00 0.00 0.00 60.65 60.41 2q42 s ILE 165 Cb -0.22 -2.76 0.10 0.00 0.01 0.00 0.00 42.46 39.59 2q42 s ILE 165 CO 0.26 0.28 0.36 -0.31 0.00 0.00 0.00 174.94 175.53 2q42 s TYR 166 N 1.49 3.33 0.52 3.97 2.02 -0.84 -1.82 117.35 126.02 2q42 s TYR 166 Ca 0.04 -1.47 -0.20 0.00 -0.37 0.00 0.00 57.07 55.07 2q42 s TYR 166 Cb -0.15 -3.33 -0.06 0.00 -0.40 0.00 0.00 41.96 38.01 2q42 s TYR 166 CO -0.01 -0.92 1.13 0.00 -1.57 0.00 0.00 175.55 174.19 2q42 h GLY 168 N 1.39 0.00 -3.19 0.00 0.00 -1.36 -3.43 103.07 96.48 2q42 h GLY 168 Ca -0.50 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.72 2q42 h GLY 168 CO 0.58 0.00 -0.58 0.30 0.00 0.00 0.00 176.54 176.83 2q42 s HIS 169 N -3.23 0.43 -1.15 5.60 3.76 -1.26 -1.43 115.29 118.01 2q42 s HIS 169 Ca 0.03 -0.94 -0.09 0.00 -0.15 0.00 0.00 55.06 53.91 2q42 s HIS 169 Cb 0.08 -0.30 0.25 0.00 1.11 0.00 0.00 32.58 33.72 2q42 s HIS 169 CO 0.70 -0.44 1.34 -1.91 -0.85 0.00 0.00 174.74 173.57 2q42 n GLU 170 N 0.04 3.66 -0.16 1.40 4.07 -0.99 -4.69 120.64 123.98 2q42 n GLU 170 Ca -0.14 -4.23 0.07 0.00 -0.06 0.00 0.00 57.16 52.81 2q42 n GLU 170 Cb 0.62 -2.71 0.15 0.00 -0.06 0.00 0.00 31.44 29.44 2q42 n GLU 170 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2q42 n TYR 171 N 3.36 0.41 -0.03 4.31 4.01 -1.26 -4.81 117.16 123.15 2q42 n TYR 171 Ca 0.29 -0.36 -0.09 0.00 -0.16 0.00 0.00 57.90 57.58 2q42 n TYR 171 Cb 0.39 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.38 2q42 n TYR 171 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2q42 h THR 172 N 2.56 0.39 -0.33 -0.72 2.02 -1.84 0.45 112.91 115.45 2q42 h THR 172 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2q42 h THR 172 Cb 0.73 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2q42 h THR 172 CO 0.00 0.00 0.03 0.25 0.37 0.00 0.00 175.52 176.17 2q42 h LEU 173 N -0.27 0.54 -0.27 2.58 5.85 -1.89 -0.35 115.31 121.51 2q42 h LEU 173 Ca 0.13 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.62 2q42 h LEU 173 Cb 0.46 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 2q42 h LEU 173 CO -0.37 0.68 -0.12 -1.28 -0.34 0.00 0.00 178.44 177.02 2q42 h SER 174 N 0.38 -0.39 -0.60 1.25 0.87 -1.72 -2.68 113.55 110.66 2q42 h SER 174 Ca 0.10 0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 2q42 h SER 174 Cb 0.39 0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 2q42 h SER 174 CO 0.01 -0.15 0.17 0.78 -0.53 0.00 0.00 176.83 177.11 2q42 h ASN 175 N -0.08 0.89 -0.62 6.23 2.35 0.06 -2.93 115.58 121.47 2q42 h ASN 175 Ca 0.14 -0.22 0.15 0.00 -0.55 0.00 0.00 56.30 55.82 2q42 h ASN 175 Cb 0.28 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 2q42 h ASN 175 CO -0.32 0.87 0.43 0.77 -1.65 0.00 0.00 177.43 177.54 2q42 h SER 176 N 0.85 0.15 -0.08 5.81 4.64 -0.72 -0.31 113.55 123.90 2q42 h SER 176 Ca 0.19 0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 61.36 2q42 h SER 176 Cb 0.32 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 2q42 h SER 176 CO -0.00 0.08 -0.51 0.11 -0.87 0.00 0.00 176.83 175.64 2q42 h LYS 177 N 0.16 0.65 -0.11 4.77 1.57 -1.37 -0.69 116.57 121.55 2q42 h LYS 177 Ca 0.30 -0.39 -0.15 0.00 -1.87 0.00 0.00 60.65 58.54 2q42 h LYS 177 Cb 0.95 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 2q42 h LYS 177 CO -0.05 1.01 -0.57 0.35 -0.57 0.00 0.00 179.45 179.62 2q42 h PHE 178 N 0.51 0.44 -0.26 -1.35 3.57 -1.16 -2.55 116.94 116.14 2q42 h PHE 178 Ca 0.02 -0.16 -0.15 0.00 3.53 0.00 0.00 57.97 61.21 2q42 h PHE 178 Cb 1.06 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2q42 h PHE 178 CO 0.05 0.84 -0.45 0.00 -2.23 0.00 0.00 178.31 176.52 2q42 h ALA 179 N 1.13 0.74 0.00 2.41 0.00 -1.02 -2.96 119.26 119.55 2q42 h ALA 179 Ca 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 2q42 h ALA 179 Cb 1.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2q42 h ALA 179 CO 0.09 0.67 -0.22 -0.07 0.00 0.00 0.00 179.25 179.72 2q42 h LEU 180 N 0.53 0.00 -0.51 0.00 3.38 -1.03 -0.26 115.31 117.42 2q42 h LEU 180 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2q42 h LEU 180 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2q42 h LEU 180 CO 0.09 0.22 0.00 0.77 0.09 0.00 0.00 178.44 179.61 2q42 h SER 181 N 0.00 0.00 0.00 -0.43 4.64 -1.29 -3.02 113.55 113.45 2q42 h SER 181 Ca -0.00 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.05 2q42 h SER 181 Cb 0.75 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.79 2q42 h SER 181 CO 0.03 0.00 -2.01 0.18 -0.87 0.00 0.00 176.83 174.16 2q42 n LEU 182 N -2.65 0.51 -3.15 5.97 4.77 -0.76 -4.79 117.00 116.91 2q42 n LEU 182 Ca 0.03 -0.02 -0.18 0.00 -0.03 0.00 0.00 56.01 55.81 2q42 n LEU 182 Cb 0.38 0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 2q42 n LEU 182 CO 0.28 0.44 -0.19 1.21 -1.33 0.00 0.00 177.39 177.79 2q42 n GLU 183 N -2.63 1.17 0.31 3.23 2.13 -0.18 -3.94 120.64 120.74 2q42 n GLU 183 Ca -0.25 -3.50 0.20 0.00 0.66 0.00 0.00 57.16 54.27 2q42 n GLU 183 Cb 0.95 -1.74 1.03 0.00 0.27 0.00 0.00 31.44 31.96 2q42 n GLU 183 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2q42 h PRO 184 N 3.00 0.00 -0.10 5.31 0.13 -1.74 -2.08 132.00 136.52 2q42 h PRO 184 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2q42 h PRO 184 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2q42 h PRO 184 CO 0.53 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.40 2q42 n ASN 185 N -3.21 1.05 -4.52 1.44 5.03 -1.26 -4.69 115.26 109.10 2q42 n ASN 185 Ca -0.02 -1.58 -0.43 0.00 0.87 0.00 0.00 54.58 53.42 2q42 n ASN 185 Cb 0.14 -0.06 -0.04 0.00 -1.02 0.00 0.00 39.78 38.80 2q42 n ASN 185 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 2q42 s ASN 186 N -1.61 6.34 0.47 6.41 3.84 -0.79 -4.89 114.94 124.71 2q42 s ASN 186 Ca 0.32 -0.36 0.26 0.00 0.21 0.00 0.00 52.86 53.29 2q42 s ASN 186 Cb 0.16 -2.44 0.96 0.00 -0.55 0.00 0.00 41.25 39.38 2q42 s ASN 186 CO 0.25 -1.26 1.84 -0.33 -2.79 0.00 0.00 177.10 174.81 2q42 h GLU 187 N 9.35 0.00 -0.30 0.43 5.08 -1.89 -1.10 114.58 126.15 2q42 h GLU 187 Ca -0.26 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.92 2q42 h GLU 187 Cb 1.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2q42 h GLU 187 CO 1.10 0.15 -0.51 0.28 -1.00 0.00 0.00 179.01 179.04 2q42 h VAL 188 N 0.00 1.28 -0.66 3.13 2.07 -1.93 -0.95 116.25 119.19 2q42 h VAL 188 Ca -0.00 -1.69 -0.08 0.00 0.82 0.00 0.00 66.70 65.75 2q42 h VAL 188 Cb 0.73 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 2q42 h VAL 188 CO 0.02 0.55 0.11 0.25 0.02 0.00 0.00 177.57 178.52 2q42 h LEU 189 N 0.66 1.05 -0.54 2.57 5.85 -1.70 0.14 115.31 123.34 2q42 h LEU 189 Ca 0.02 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 2q42 h LEU 189 Cb 1.11 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 2q42 h LEU 189 CO 0.12 1.04 0.33 1.56 -0.34 0.00 0.00 178.44 181.15 2q42 h GLN 190 N 1.02 0.74 -0.02 1.25 4.20 -1.07 0.36 115.11 121.59 2q42 h GLN 190 Ca 0.20 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 2q42 h GLN 190 Cb 0.44 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 2q42 h GLN 190 CO 0.01 0.53 0.01 1.03 -0.67 0.00 0.00 178.83 179.74 2q42 h SER 191 N 0.73 0.02 -0.51 1.46 0.87 -0.88 -0.79 113.55 114.46 2q42 h SER 191 Ca 0.20 -0.14 -0.09 0.00 -1.23 0.00 0.00 61.79 60.53 2q42 h SER 191 Cb -0.02 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 2q42 h SER 191 CO -0.04 0.16 -0.01 0.22 -0.53 0.00 0.00 176.83 176.63 2q42 h TYR 192 N -0.11 1.00 -0.23 2.24 3.20 -0.76 -2.29 116.97 120.02 2q42 h TYR 192 Ca 0.01 -0.18 -0.04 0.00 3.14 0.00 0.00 58.73 61.65 2q42 h TYR 192 Cb 0.14 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 2q42 h TYR 192 CO -0.03 0.93 -0.05 0.00 -1.64 0.00 0.00 178.16 177.37 2q42 h ALA 193 N 0.94 1.49 -0.23 1.82 0.00 -0.18 0.01 119.26 123.10 2q42 h ALA 193 Ca 0.14 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2q42 h ALA 193 Cb 0.54 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2q42 h ALA 193 CO 0.03 0.37 -0.40 0.00 0.00 0.00 0.00 179.25 179.24 2q42 h ALA 194 N 1.61 0.36 -0.15 0.00 0.00 -0.89 -2.78 119.26 117.40 2q42 h ALA 194 Ca 0.07 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2q42 h ALA 194 Cb 0.31 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2q42 h ALA 194 CO 0.01 0.46 -0.21 1.25 0.00 0.00 0.00 179.25 180.76 2q42 h HIS 195 N 0.39 0.27 -0.79 0.00 6.17 -1.05 -2.51 115.15 117.64 2q42 h HIS 195 Ca 0.01 -0.04 -0.00 0.00 0.71 0.00 0.00 60.37 61.05 2q42 h HIS 195 Cb 1.00 -0.07 -0.04 0.00 2.52 0.00 0.00 27.41 30.82 2q42 h HIS 195 CO 0.08 0.46 0.49 0.28 0.71 0.00 0.00 177.93 179.95 2q42 h VAL 196 N 0.23 1.22 -0.42 5.26 2.07 -0.89 -0.67 116.25 123.05 2q42 h VAL 196 Ca 0.04 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 2q42 h VAL 196 Cb 0.51 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2q42 h VAL 196 CO 0.03 0.22 0.14 0.00 0.02 0.00 0.00 177.57 177.99 2q42 h ALA 197 N 1.26 0.55 -0.27 1.67 0.00 -1.19 -1.20 119.26 120.08 2q42 h ALA 197 Ca 0.28 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2q42 h ALA 197 Cb -0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 2q42 h ALA 197 CO -0.06 0.19 0.07 0.93 0.00 0.00 0.00 179.25 180.39 2q42 h GLU 198 N 0.54 0.18 0.20 0.00 5.08 -0.96 0.54 114.58 120.16 2q42 h GLU 198 Ca 0.14 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2q42 h GLU 198 Cb 0.25 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2q42 h GLU 198 CO -0.01 0.12 -0.12 -0.07 -1.00 0.00 0.00 179.01 177.93 2q42 h LEU 199 N 0.19 -0.31 -1.89 1.33 3.38 -0.99 -1.98 115.31 115.04 2q42 h LEU 199 Ca 0.12 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2q42 h LEU 199 Cb 0.11 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2q42 h LEU 199 CO -0.15 -0.20 -0.06 0.03 0.09 0.00 0.00 178.44 178.15 2q42 h ARG 200 N -0.31 0.00 0.00 1.13 2.47 -0.95 -0.44 114.38 116.28 2q42 h ARG 200 Ca -0.02 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.60 2q42 h ARG 200 Cb 0.27 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 2q42 h ARG 200 CO 0.01 0.06 -0.47 1.03 0.56 0.00 0.00 179.97 181.17 2q42 h SER 201 N 0.00 0.00 -0.52 7.04 0.87 0.86 -2.92 113.55 118.88 2q42 h SER 201 Ca -0.00 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.36 2q42 h SER 201 Cb 0.38 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.22 2q42 h SER 201 CO 0.01 0.47 0.14 2.29 -0.53 0.00 0.00 176.83 179.21 2q42 n LYS 202 N -3.95 2.58 -3.70 2.24 2.85 -0.73 -4.98 118.16 112.48 2q42 n LYS 202 Ca -0.02 -3.06 -0.24 0.00 -1.05 0.00 0.00 58.31 53.94 2q42 n LYS 202 Cb 0.50 -1.97 0.05 0.00 -0.65 0.00 0.00 35.03 32.95 2q42 n LYS 202 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2q42 n LYS 203 N -0.77 -6.10 -4.14 -1.58 5.02 -0.94 -4.99 118.16 104.65 2q42 n LYS 203 Ca 0.37 0.70 -0.32 0.00 -2.02 0.00 0.00 58.31 57.03 2q42 n LYS 203 Cb 1.19 -5.55 -0.16 0.00 -0.02 0.00 0.00 35.03 30.49 2q42 n LYS 203 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2q42 s LEU 204 N -6.97 2.03 0.71 -0.35 1.43 -0.25 -5.00 118.68 110.27 2q42 s LEU 204 Ca 0.35 -0.61 -0.17 0.00 -1.03 0.00 0.00 54.13 52.67 2q42 s LEU 204 Cb -0.17 -1.41 -0.11 0.00 0.03 0.00 0.00 46.19 44.54 2q42 s LEU 204 CO 0.79 -0.01 -0.05 -2.65 0.23 0.00 0.00 176.35 174.65 2q42 n PRO 205 N 4.61 0.10 -0.03 1.29 -0.02 -1.26 -3.94 135.00 135.75 2q42 n PRO 205 Ca -0.20 0.05 -0.01 0.00 -2.02 0.00 0.00 63.50 61.32 2q42 n PRO 205 Cb 0.50 -1.30 -0.14 0.00 -0.02 0.00 0.00 33.50 32.54 2q42 n PRO 205 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2q42 n THR 206 N -2.08 0.92 -1.91 3.45 -2.24 -1.26 -4.94 114.28 106.22 2q42 n THR 206 Ca 0.06 -0.70 -0.39 0.00 -2.27 0.00 0.00 64.05 60.75 2q42 n THR 206 Cb 0.50 -0.41 0.01 0.00 -2.10 0.00 0.00 70.33 68.34 2q42 n THR 206 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2q42 s ILE 207 N -2.92 2.33 0.50 2.28 1.09 -1.26 -4.45 121.20 118.76 2q42 s ILE 207 Ca -0.07 0.28 -0.18 0.00 -1.10 0.00 0.00 60.65 59.58 2q42 s ILE 207 Cb 0.09 -3.16 -0.08 0.00 -1.06 0.00 0.00 42.46 38.25 2q42 s ILE 207 CO 0.85 0.03 0.99 -2.16 -0.10 0.00 0.00 174.94 174.55 2q42 s PRO 208 N -2.46 3.94 0.37 2.79 0.04 -1.26 -5.11 135.00 133.30 2q42 s PRO 208 Ca 0.61 1.08 0.05 0.00 0.04 0.00 0.00 61.00 62.78 2q42 s PRO 208 Cb -0.40 -2.13 0.05 0.00 0.04 0.00 0.00 34.50 32.05 2q42 s PRO 208 CO 0.51 -0.28 0.39 -2.37 0.04 0.00 0.00 177.00 175.28 2q42 n THR 209 N -1.28 0.00 -4.44 1.26 5.66 -0.76 -4.86 114.28 109.86 2q42 n THR 209 Ca 0.07 -1.36 -0.22 0.00 -3.05 0.00 0.00 64.05 59.50 2q42 n THR 209 Cb 0.54 -0.42 -0.10 0.00 -1.55 0.00 0.00 70.33 68.80 2q42 n THR 209 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2q42 s THR 210 N -1.59 1.54 0.19 1.09 -4.23 -1.26 0.38 115.64 111.76 2q42 s THR 210 Ca 0.29 -2.08 -0.10 0.00 -1.18 0.00 0.00 61.69 58.63 2q42 s THR 210 Cb -0.02 -2.56 0.11 0.00 1.34 0.00 0.00 72.50 71.36 2q42 s THR 210 CO 0.19 -0.21 1.73 0.58 -0.54 0.00 0.00 174.62 176.36 2q42 h VAL 211 N 2.21 1.25 -0.47 2.29 2.07 -1.45 -0.48 116.25 121.68 2q42 h VAL 211 Ca -0.40 -0.87 -0.12 0.00 0.82 0.00 0.00 66.70 66.13 2q42 h VAL 211 Cb 1.24 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2q42 h VAL 211 CO 0.69 0.34 -0.16 0.50 0.02 0.00 0.00 177.57 178.95 2q42 h LYS 212 N 1.00 0.94 -0.40 1.57 3.64 -1.77 -0.29 116.57 121.26 2q42 h LYS 212 Ca 0.22 -0.38 -0.10 0.00 -1.27 0.00 0.00 60.65 59.12 2q42 h LYS 212 Cb 0.29 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2q42 h LYS 212 CO -0.01 1.04 -0.17 1.98 -2.27 0.00 0.00 179.45 180.02 2q42 h MET 213 N 0.78 0.75 -0.01 1.90 4.05 -1.76 -2.57 114.93 118.06 2q42 h MET 213 Ca 0.11 -0.28 -0.23 0.00 -0.28 0.00 0.00 59.70 59.02 2q42 h MET 213 Cb 0.73 -0.05 0.01 0.00 -0.80 0.00 0.00 31.60 31.49 2q42 h MET 213 CO 0.06 0.87 -0.94 0.93 0.23 0.00 0.00 176.91 178.06 2q42 h GLU 214 N 0.67 0.51 -0.71 0.39 4.39 -0.84 -2.24 114.58 116.74 2q42 h GLU 214 Ca 0.10 -0.53 0.06 0.00 0.34 0.00 0.00 59.36 59.33 2q42 h GLU 214 Cb 0.66 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.41 2q42 h GLU 214 CO 0.05 1.16 0.47 0.87 -1.16 0.00 0.00 179.01 180.40 2q42 h LYS 215 N 0.30 0.73 0.00 2.33 1.57 -1.00 0.43 116.57 120.92 2q42 h LYS 215 Ca -0.09 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.53 2q42 h LYS 215 Cb 1.58 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.71 2q42 h LYS 215 CO 0.17 0.48 -0.56 0.00 -0.57 0.00 0.00 179.45 178.98 2q42 h ALA 216 N 1.61 0.75 0.00 3.86 0.00 -1.24 -3.41 119.26 120.84 2q42 h ALA 216 Ca 0.31 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2q42 h ALA 216 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2q42 h ALA 216 CO -0.10 0.70 -0.81 0.00 0.00 0.00 0.00 179.25 179.04 2q42 s ASN 218 N -2.14 6.93 0.50 0.00 3.84 0.14 -4.88 114.94 119.33 2q42 s ASN 218 Ca 0.00 1.95 0.25 0.00 0.21 0.00 0.00 52.86 55.26 2q42 s ASN 218 Cb 0.00 -2.55 1.32 0.00 -0.55 0.00 0.00 41.25 39.46 2q42 s ASN 218 CO 0.00 -0.68 2.03 1.55 -2.79 0.00 0.00 177.10 177.21 2q42 h PRO 219 N 7.83 0.00 0.00 0.43 0.13 -1.87 -2.32 132.00 136.20 2q42 h PRO 219 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2q42 h PRO 219 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2q42 h PRO 219 CO 0.91 0.15 0.00 0.74 -0.23 0.00 0.00 178.00 179.57 2q42 h PHE 220 N 0.00 0.00 -0.09 1.56 0.04 -1.90 -2.23 116.94 114.33 2q42 h PHE 220 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2q42 h PHE 220 Cb 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.53 2q42 h PHE 220 CO 0.00 0.00 0.00 1.28 -0.60 0.00 0.00 178.31 178.99 2q42 n LEU 221 N -2.59 2.57 -2.06 1.54 4.77 -0.88 -4.28 117.00 116.07 2q42 n LEU 221 Ca 0.03 -0.91 -0.12 0.00 -0.03 0.00 0.00 56.01 54.98 2q42 n LEU 221 Cb 0.36 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.46 2q42 n LEU 221 CO 0.27 0.46 0.14 0.54 -1.33 0.00 0.00 177.39 177.47 2q42 n ARG 222 N 0.99 2.61 0.03 3.23 1.74 -0.84 -4.88 116.66 119.53 2q42 n ARG 222 Ca 0.16 -3.74 0.07 0.00 -0.77 0.00 0.00 57.85 53.57 2q42 n ARG 222 Cb 0.52 -1.86 0.32 0.00 -1.02 0.00 0.00 32.46 30.41 2q42 n ARG 222 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2q42 n SER 223 N -0.65 0.14 -0.77 0.55 3.41 -1.20 -1.19 113.62 113.91 2q42 n SER 223 Ca 0.28 0.54 0.11 0.00 -0.26 0.00 0.00 58.87 59.54 2q42 n SER 223 Cb 0.90 -0.57 0.06 0.00 -0.26 0.00 0.00 64.21 64.34 2q42 n SER 223 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2q42 n SER 224 N -1.66 2.60 -4.71 4.04 3.41 -1.26 -4.80 113.62 111.24 2q42 n SER 224 Ca 0.03 -1.80 -0.42 0.00 -0.26 0.00 0.00 58.87 56.42 2q42 n SER 224 Cb 0.16 0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 2q42 n SER 224 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2q42 s ASN 225 N -2.12 6.44 0.33 4.04 3.84 -0.33 -4.89 114.94 122.25 2q42 s ASN 225 Ca 0.24 2.77 0.01 0.00 0.21 0.00 0.00 52.86 56.09 2q42 s ASN 225 Cb 0.19 -2.58 0.55 0.00 -0.55 0.00 0.00 41.25 38.85 2q42 s ASN 225 CO 0.39 -0.96 1.95 0.74 -2.79 0.00 0.00 177.10 176.44 2q42 h THR 226 N 4.21 1.19 -0.07 -5.21 2.02 -1.93 -1.83 112.91 111.29 2q42 h THR 226 Ca -0.44 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.28 2q42 h THR 226 Cb 1.21 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2q42 h THR 226 CO 0.95 0.20 0.05 0.44 0.37 0.00 0.00 175.52 177.53 2q42 h ASP 227 N 0.86 0.08 0.44 4.18 3.32 -1.90 0.38 116.42 123.79 2q42 h ASP 227 Ca 0.22 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 2q42 h ASP 227 Cb 0.01 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2q42 h ASP 227 CO -0.04 0.07 -0.21 0.40 -1.72 0.00 0.00 179.24 177.74 2q42 h ILE 228 N 0.09 0.56 -0.08 0.35 2.04 -1.62 -2.45 117.51 116.40 2q42 h ILE 228 Ca 0.03 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.69 2q42 h ILE 228 Cb -0.00 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2q42 h ILE 228 CO -0.01 0.04 0.15 0.03 0.00 0.00 0.00 178.15 178.37 2q42 h ARG 229 N -0.72 0.00 -0.03 2.37 3.08 -1.20 0.21 114.38 118.10 2q42 h ARG 229 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2q42 h ARG 229 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2q42 h ARG 229 CO 0.10 0.00 0.00 -2.13 -1.07 0.00 0.00 179.97 176.87 2q42 n ARG 230 N -3.44 1.16 -0.02 0.04 0.63 0.13 -2.94 116.66 112.23 2q42 n ARG 230 Ca -0.01 -0.24 -0.02 0.00 -0.92 0.00 0.00 57.85 56.66 2q42 n ARG 230 Cb 0.24 -1.37 -0.03 0.00 0.45 0.00 0.00 32.46 31.75 2q42 n ARG 230 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2q42 n ALA 231 N -0.60 1.91 -0.14 5.13 0.00 0.70 -4.75 120.51 122.76 2q42 n ALA 231 Ca 0.17 -0.23 0.10 0.00 0.00 0.00 0.00 53.44 53.48 2q42 n ALA 231 Cb 0.14 0.23 0.24 0.00 0.00 0.00 0.00 19.45 20.05 2q42 n ALA 231 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2q42 n LEU 232 N -2.26 3.45 -3.63 0.00 4.77 -0.98 -4.97 117.00 113.38 2q42 n LEU 232 Ca -0.06 -1.85 -0.27 0.00 -0.03 0.00 0.00 56.01 53.79 2q42 n LEU 232 Cb 0.61 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 41.39 2q42 n LEU 232 CO 0.07 0.83 0.09 -1.14 -1.33 0.00 0.00 177.39 175.91 2q42 n ARG 233 N 1.22 -5.44 -2.87 3.23 0.63 -1.15 -4.96 116.66 107.32 2q42 n ARG 233 Ca 0.19 0.66 -0.41 0.00 -0.92 0.00 0.00 57.85 57.37 2q42 n ARG 233 Cb 0.54 -5.55 -0.04 0.00 0.45 0.00 0.00 32.46 27.87 2q42 n ARG 233 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2q42 s ILE 234 N -3.22 4.89 0.18 5.15 1.01 -1.19 -5.01 121.20 123.02 2q42 s ILE 234 Ca 0.56 1.69 -0.32 0.00 0.00 0.00 0.00 60.65 62.57 2q42 s ILE 234 Cb -0.27 -4.16 -0.15 0.00 0.01 0.00 0.00 42.46 37.89 2q42 s ILE 234 CO 0.68 0.06 1.18 -2.65 0.00 0.00 0.00 174.94 174.21 2q42 n PRO 235 N 4.96 1.27 0.24 2.79 -0.02 -1.26 -4.82 135.00 138.17 2q42 n PRO 235 Ca 0.04 0.45 0.11 0.00 -2.02 0.00 0.00 63.50 62.08 2q42 n PRO 235 Cb 0.49 -1.96 0.70 0.00 -0.02 0.00 0.00 33.50 32.71 2q42 n PRO 235 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2q42 h GLU 236 N 3.40 0.00 -0.35 -0.52 5.08 -1.94 -2.14 114.58 118.11 2q42 h GLU 236 Ca -0.43 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.76 2q42 h GLU 236 Cb 1.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 2q42 h GLU 236 CO 0.70 0.00 -0.43 0.00 -1.00 0.00 0.00 179.01 178.28 2q42 h ALA 237 N 1.97 0.57 -2.36 3.43 0.00 -2.04 -3.47 119.26 117.36 2q42 h ALA 237 Ca 0.02 -0.47 -0.59 0.00 0.00 0.00 0.00 54.91 53.87 2q42 h ALA 237 Cb 0.10 -0.11 0.16 0.00 0.00 0.00 0.00 17.79 17.94 2q42 h ALA 237 CO -0.00 0.68 -0.35 0.00 0.00 0.00 0.00 179.25 179.58 2q42 n ALA 238 N -2.55 -1.13 -1.84 0.00 0.00 -0.81 -4.96 120.51 109.23 2q42 n ALA 238 Ca -0.03 0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.28 2q42 n ALA 238 Cb 0.57 -1.83 0.17 0.00 0.00 0.00 0.00 19.45 18.35 2q42 n ALA 238 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2q42 n ASP 239 N 0.73 0.17 0.09 0.00 5.68 -1.26 -4.84 116.55 117.12 2q42 n ASP 239 Ca 0.11 -1.45 -0.02 0.00 -0.50 0.00 0.00 54.79 52.93 2q42 n ASP 239 Cb 0.45 -0.84 0.25 0.00 -1.14 0.00 0.00 41.12 39.83 2q42 n ASP 239 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2q42 h GLU 240 N 0.00 0.28 -0.14 0.11 5.08 -1.93 -1.88 114.58 116.09 2q42 h GLU 240 Ca -0.36 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 57.85 2q42 h GLU 240 Cb 1.01 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2q42 h GLU 240 CO 0.26 0.59 -0.05 0.00 -1.00 0.00 0.00 179.01 178.81 2q42 h ALA 241 N 1.41 0.20 -0.86 3.43 0.00 -1.93 -0.24 119.26 121.26 2q42 h ALA 241 Ca 0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2q42 h ALA 241 Cb 0.72 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2q42 h ALA 241 CO 0.06 -0.02 0.52 0.93 0.00 0.00 0.00 179.25 180.74 2q42 h GLU 242 N -0.03 1.17 -0.29 0.00 5.08 -1.90 -1.51 114.58 117.11 2q42 h GLU 242 Ca 0.03 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2q42 h GLU 242 Cb 0.50 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2q42 h GLU 242 CO 0.02 0.82 0.13 0.00 -1.00 0.00 0.00 179.01 178.98 2q42 h ALA 243 N 1.28 0.37 -0.80 3.43 0.00 -1.29 -2.36 119.26 119.89 2q42 h ALA 243 Ca 0.31 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.21 2q42 h ALA 243 Cb -0.05 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.56 2q42 h ALA 243 CO -0.06 -0.06 0.45 1.25 0.00 0.00 0.00 179.25 180.84 2q42 h LEU 244 N 0.33 0.65 -0.98 0.00 6.46 -0.66 0.10 115.31 121.22 2q42 h LEU 244 Ca 0.10 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.93 2q42 h LEU 244 Cb 0.13 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 39.93 2q42 h LEU 244 CO -0.01 0.38 0.64 1.23 -0.62 0.00 0.00 178.44 180.07 2q42 h GLY 245 N 0.78 1.41 0.95 3.75 0.00 -0.86 0.13 103.07 109.23 2q42 h GLY 245 Ca 0.38 -0.50 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 2q42 h GLY 245 CO -0.23 0.45 -0.29 -2.22 0.00 0.00 0.00 176.54 174.25 2q42 h ILE 246 N 1.27 1.31 -0.64 2.60 2.04 -0.82 -1.67 117.51 121.60 2q42 h ILE 246 Ca 0.38 -1.46 0.03 0.00 1.00 0.00 0.00 64.86 64.81 2q42 h ILE 246 Cb -0.06 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 2q42 h ILE 246 CO -0.11 0.46 0.39 0.40 0.00 0.00 0.00 178.15 179.30 2q42 h ILE 247 N 0.39 1.07 -0.38 -0.67 2.04 -0.69 0.88 117.51 120.15 2q42 h ILE 247 Ca 0.04 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 2q42 h ILE 247 Cb 0.86 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2q42 h ILE 247 CO 0.07 0.14 0.02 -0.09 0.00 0.00 0.00 178.15 178.29 2q42 h ARG 248 N 0.76 0.65 -0.27 2.37 9.65 -0.65 -0.41 114.38 126.49 2q42 h ARG 248 Ca 0.26 -0.20 -0.10 0.00 -1.10 0.00 0.00 59.98 58.84 2q42 h ARG 248 Cb 0.03 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 2q42 h ARG 248 CO -0.11 0.75 -0.26 0.87 2.80 0.00 0.00 179.97 184.02 2q42 h LYS 249 N 0.48 0.52 0.00 0.20 1.57 -1.05 -1.43 116.57 116.86 2q42 h LYS 249 Ca 0.11 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 2q42 h LYS 249 Cb 0.44 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2q42 h LYS 249 CO 0.02 0.73 -0.35 0.00 -0.57 0.00 0.00 179.45 179.28 2q42 h ALA 250 N 1.27 1.41 0.06 3.86 0.00 -0.41 -2.56 119.26 122.88 2q42 h ALA 250 Ca 0.07 -0.31 -0.22 0.00 0.00 0.00 0.00 54.91 54.44 2q42 h ALA 250 Cb 0.69 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.44 2q42 h ALA 250 CO 0.05 0.43 -0.88 -0.22 0.00 0.00 0.00 179.25 178.63 2q42 h LYS 251 N 0.00 0.49 -0.99 0.00 3.64 -0.57 -2.84 116.57 116.31 2q42 h LYS 251 Ca -0.00 -0.61 0.07 0.00 -1.27 0.00 0.00 60.65 58.84 2q42 h LYS 251 Cb 0.62 0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.56 2q42 h LYS 251 CO 0.04 1.24 0.63 -0.44 -2.27 0.00 0.00 179.45 178.66 2q42 h ASP 252 N 0.03 1.00 -0.44 4.20 3.32 -1.16 -1.59 116.42 121.79 2q42 h ASP 252 Ca -0.13 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2q42 h ASP 252 Cb 1.59 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.95 2q42 h ASP 252 CO 0.17 0.62 0.00 -0.67 -1.72 0.00 0.00 179.24 177.64 2q42 n ASP 253 N -4.53 4.32 -0.23 6.45 2.03 -0.98 -5.12 116.55 118.49 2q42 n ASP 253 Ca 0.16 -2.61 0.15 0.00 0.52 0.00 0.00 54.79 53.00 2q42 n ASP 253 Cb 0.21 -0.61 0.75 0.00 -0.72 0.00 0.00 41.12 40.74 2q42 n ASP 253 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61