#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 4.18 -0.38 2.12 0.74 0.20 -4.92 119.66 121.59 2q42 s GLN 2 Ca 0.00 0.34 -0.13 0.00 0.05 0.00 0.00 55.36 55.63 2q42 s GLN 2 Cb 0.00 -3.56 0.02 0.00 1.10 0.00 0.00 33.01 30.57 2q42 s GLN 2 CO 0.00 -0.13 0.24 0.42 -0.55 0.00 0.00 175.29 175.27 2q42 s ILE 3 N 1.58 4.87 -0.22 -2.34 1.01 -1.26 -1.48 121.20 123.37 2q42 s ILE 3 Ca 0.22 -0.73 -0.17 0.00 0.00 0.00 0.00 60.65 59.97 2q42 s ILE 3 Cb -0.15 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 2q42 s ILE 3 CO 0.09 -0.24 0.45 -0.70 0.00 0.00 0.00 174.94 174.54 2q42 s GLU 4 N 1.61 4.15 -0.23 2.79 2.12 0.30 -4.90 118.70 124.54 2q42 s GLU 4 Ca 0.03 0.27 -0.23 0.00 0.36 0.00 0.00 54.97 55.40 2q42 s GLU 4 Cb -0.19 -3.57 -0.01 0.00 0.26 0.00 0.00 34.13 30.62 2q42 s GLU 4 CO 0.08 -0.14 0.77 -1.17 -0.54 0.00 0.00 175.26 174.27 2q42 s LEU 5 N 1.62 4.09 -0.26 2.70 2.96 -1.26 -0.51 118.68 128.02 2q42 s LEU 5 Ca 0.20 0.97 0.02 0.00 -0.22 0.00 0.00 54.13 55.10 2q42 s LEU 5 Cb -0.15 -3.10 0.05 0.00 0.50 0.00 0.00 46.19 43.49 2q42 s LEU 5 CO 0.09 -0.45 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.89 2q42 s VAL 6 N 2.62 2.39 0.24 1.68 1.01 -0.71 -4.97 120.40 122.66 2q42 s VAL 6 Ca 0.33 -1.51 -0.30 0.00 0.00 0.00 0.00 61.98 60.50 2q42 s VAL 6 Cb -0.15 -2.37 -0.09 0.00 0.00 0.00 0.00 36.38 33.77 2q42 s VAL 6 CO 0.08 -0.00 1.17 -2.84 0.00 0.00 0.00 175.10 173.51 2q42 s PRO 7 N 1.16 4.53 0.16 2.72 0.02 -1.26 -2.65 135.00 139.68 2q42 s PRO 7 Ca -0.07 1.90 0.05 0.00 0.02 0.00 0.00 61.00 62.89 2q42 s PRO 7 Cb -0.19 -3.19 -0.04 0.00 0.02 0.00 0.00 34.50 31.09 2q42 s PRO 7 CO -0.04 0.02 -0.10 0.00 -0.33 0.00 0.00 177.00 176.55 2q42 n LEU 9 N -0.22 0.00 -0.00 0.00 7.99 -1.26 -0.28 117.00 123.22 2q42 n LEU 9 Ca -0.10 0.00 0.11 0.00 -0.01 0.00 0.00 56.01 56.01 2q42 n LEU 9 Cb 0.61 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 43.78 2q42 n LEU 9 CO 0.33 0.00 -0.42 1.17 -1.51 0.00 0.00 177.39 176.95 2q42 n LYS 10 N 14.00 0.38 -0.69 3.23 4.81 -1.26 -4.75 118.16 133.88 2q42 n LYS 10 Ca 0.00 -0.11 -0.03 0.00 -0.87 0.00 0.00 58.31 57.30 2q42 n LYS 10 Cb 0.00 -1.52 -0.03 0.00 0.02 0.00 0.00 35.03 33.50 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 -1.96 -0.46 -4.97 3.14 5.68 -1.01 -5.03 116.55 111.95 2q42 n ASP 11 Ca -0.00 -0.99 -0.21 0.00 -0.50 0.00 0.00 54.79 53.09 2q42 n ASP 11 Cb 0.47 0.14 0.01 0.00 -1.14 0.00 0.00 41.12 40.59 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 -0.46 5.80 -0.46 -1.12 -0.87 0.61 -1.22 114.94 117.23 2q42 s ASN 12 Ca 0.00 0.03 0.09 0.00 -1.57 0.00 0.00 52.86 51.40 2q42 s ASN 12 Cb 0.00 -1.28 0.30 0.00 -0.02 0.00 0.00 41.25 40.25 2q42 s ASN 12 CO 0.00 -0.67 0.71 -1.22 -2.57 0.00 0.00 177.10 173.35 2q42 n TYR 13 N -1.94 1.26 -1.70 2.20 4.01 -0.60 -1.50 117.16 118.88 2q42 n TYR 13 Ca 0.02 -3.82 -0.42 0.00 -0.16 0.00 0.00 57.90 53.52 2q42 n TYR 13 Cb 0.58 -0.43 -0.00 0.00 -0.31 0.00 0.00 39.34 39.18 2q42 n TYR 13 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2q42 n ALA 14 N 0.63 1.27 -2.61 -0.72 0.00 -1.09 -4.68 120.51 113.31 2q42 n ALA 14 Ca 0.26 0.33 -0.32 0.00 0.00 0.00 0.00 53.44 53.70 2q42 n ALA 14 Cb 0.53 -2.25 -0.10 0.00 0.00 0.00 0.00 19.45 17.63 2q42 n ALA 14 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2q42 s TYR 15 N -1.13 2.92 -0.25 0.00 2.02 -0.08 -1.75 117.35 119.08 2q42 s TYR 15 Ca 0.57 -0.02 -0.08 0.00 -0.37 0.00 0.00 57.07 57.17 2q42 s TYR 15 Cb -0.55 -1.61 -0.03 0.00 -0.40 0.00 0.00 41.96 39.37 2q42 s TYR 15 CO 0.61 0.39 0.09 0.42 -1.57 0.00 0.00 175.55 175.49 2q42 s ILE 16 N -1.03 4.47 -0.25 2.71 -1.09 0.34 -1.38 121.20 124.96 2q42 s ILE 16 Ca 0.18 -0.12 -0.10 0.00 -2.23 0.00 0.00 60.65 58.38 2q42 s ILE 16 Cb -0.11 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.63 2q42 s ILE 16 CO 0.08 0.33 0.14 -0.76 -1.23 0.00 0.00 174.94 173.50 2q42 s LEU 17 N 1.60 3.89 -0.14 2.97 1.43 -0.09 0.11 118.68 128.45 2q42 s LEU 17 Ca 0.06 -0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 2q42 s LEU 17 Cb -0.15 -2.05 0.04 0.00 0.03 0.00 0.00 46.19 44.05 2q42 s LEU 17 CO 0.05 0.01 -0.05 -2.28 0.23 0.00 0.00 176.35 174.31 2q42 s HIS 18 N 1.38 1.50 -0.35 0.29 2.46 -0.55 0.22 115.29 120.24 2q42 s HIS 18 Ca 0.07 -0.88 -0.23 0.00 0.47 0.00 0.00 55.06 54.49 2q42 s HIS 18 Cb -0.15 -1.23 0.01 0.00 -0.13 0.00 0.00 32.58 31.08 2q42 s HIS 18 CO 0.06 -0.56 0.76 0.34 -2.47 0.00 0.00 174.74 172.88 2q42 s ASP 19 N 1.70 6.56 0.47 9.88 2.15 -0.63 -0.63 116.67 136.17 2q42 s ASP 19 Ca 0.02 0.39 0.23 0.00 0.43 0.00 0.00 52.55 53.63 2q42 s ASP 19 Cb -0.14 -2.39 1.19 0.00 -0.30 0.00 0.00 42.92 41.28 2q42 s ASP 19 CO -0.08 -0.68 1.97 -0.33 -0.17 0.00 0.00 175.17 175.89 2q42 h GLU 20 N 8.39 0.00 0.00 4.34 4.39 -1.96 1.92 114.58 131.67 2q42 h GLU 20 Ca -0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.45 2q42 h GLU 20 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 2q42 h GLU 20 CO 0.89 0.19 0.00 -0.25 -1.16 0.00 0.00 179.01 178.68 2q42 n ASP 21 N -3.71 0.00 0.00 1.42 9.92 -1.26 -4.22 116.55 118.70 2q42 n ASP 21 Ca -0.01 0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.31 2q42 n ASP 21 Cb 0.31 -0.33 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 2q42 n ASP 21 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2q42 n THR 22 N -1.33 0.00 -0.84 -3.53 -2.24 -0.81 -5.00 114.28 100.53 2q42 n THR 22 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2q42 n THR 22 Cb 0.20 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.00 0.87 3.77 3.38 0.00 0.65 -5.00 105.19 108.86 2q42 n GLY 23 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.44 2.68 -0.07 2.61 2.01 -1.25 -4.81 115.64 113.38 2q42 s THR 24 Ca 0.00 0.60 0.04 0.00 0.31 0.00 0.00 61.69 62.64 2q42 s THR 24 Cb 0.00 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.16 2q42 s THR 24 CO 0.00 0.08 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.13 2q42 s VAL 25 N -1.28 1.65 0.30 3.82 1.01 -1.26 -1.61 120.40 123.04 2q42 s VAL 25 Ca 0.57 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.84 2q42 s VAL 25 Cb -0.37 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 2q42 s VAL 25 CO 0.47 0.47 0.05 -0.83 0.00 0.00 0.00 175.10 175.26 2q42 s GLY 26 N 0.28 1.82 -0.16 4.51 0.00 0.13 -1.04 107.32 112.86 2q42 s GLY 26 Ca -0.12 -1.76 -0.03 0.00 0.00 0.00 0.00 44.72 42.81 2q42 s GLY 26 CO 0.05 -1.76 0.04 0.54 0.00 0.00 0.00 173.10 171.97 2q42 s VAL 27 N -2.39 0.36 -0.22 1.40 0.11 0.59 -0.92 120.40 119.34 2q42 s VAL 27 Ca 0.34 -0.33 -0.18 0.00 -2.93 0.00 0.00 61.98 58.88 2q42 s VAL 27 Cb -0.04 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 2q42 s VAL 27 CO 0.21 -0.13 0.48 -0.69 -3.33 0.00 0.00 175.10 171.65 2q42 s VAL 28 N 1.94 5.12 -1.24 2.04 1.01 -0.48 0.29 120.40 129.08 2q42 s VAL 28 Ca 0.01 0.86 -0.05 0.00 0.00 0.00 0.00 61.98 62.80 2q42 s VAL 28 Cb -0.16 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.40 2q42 s VAL 28 CO -0.08 0.17 0.75 0.47 0.00 0.00 0.00 175.10 176.41 2q42 n ASP 29 N 4.94 -2.63 -4.56 3.32 9.92 0.44 -0.90 116.55 127.08 2q42 n ASP 29 Ca -0.06 -0.84 -0.23 0.00 -0.53 0.00 0.00 54.79 53.13 2q42 n ASP 29 Cb 0.50 -4.08 -0.06 0.00 -0.64 0.00 0.00 41.12 36.84 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 -5.77 2.22 0.45 -0.24 0.04 -1.22 -4.08 135.00 126.41 2q42 s PRO 30 Ca 0.15 0.05 0.21 0.00 0.04 0.00 0.00 61.00 61.45 2q42 s PRO 30 Cb -0.04 -4.93 1.20 0.00 0.04 0.00 0.00 34.50 30.77 2q42 s PRO 30 CO 0.81 -3.71 1.87 0.77 0.04 0.00 0.00 177.00 176.78 2q42 h SER 31 N 12.11 0.29 -4.71 6.66 0.02 -1.77 -1.33 113.55 124.82 2q42 h SER 31 Ca 0.04 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 2q42 h SER 31 Cb 1.02 -0.02 -0.21 0.00 0.14 0.00 0.00 62.40 63.33 2q42 h SER 31 CO 1.14 0.11 -0.09 -0.70 -1.14 0.00 0.00 176.83 176.15 2q42 s GLU 32 N -5.30 0.77 0.02 3.45 2.12 -1.26 -3.14 118.70 115.35 2q42 s GLU 32 Ca -0.07 0.18 -0.25 0.00 0.36 0.00 0.00 54.97 55.19 2q42 s GLU 32 Cb 0.22 0.36 -0.17 0.00 0.26 0.00 0.00 34.13 34.79 2q42 s GLU 32 CO 0.78 -0.20 1.36 0.00 -0.54 0.00 0.00 175.26 176.66 2q42 h ALA 33 N 3.99 -0.25 -0.84 6.30 0.00 -1.82 -3.34 119.26 123.30 2q42 h ALA 33 Ca -0.28 -0.17 0.18 0.00 0.00 0.00 0.00 54.91 54.64 2q42 h ALA 33 Cb 1.16 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.94 2q42 h ALA 33 CO 0.34 -0.49 0.36 1.49 0.00 0.00 0.00 179.25 180.95 2q42 h GLU 34 N -0.55 0.43 -0.16 0.00 4.57 -1.98 -0.25 114.58 116.64 2q42 h GLU 34 Ca -0.03 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 2q42 h GLU 34 Cb 0.41 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2q42 h GLU 34 CO 0.04 0.28 -0.00 -1.35 -1.18 0.00 0.00 179.01 176.80 2q42 h PRO 35 N 0.44 0.23 0.39 0.92 0.11 -1.96 -1.91 132.00 130.22 2q42 h PRO 35 Ca 0.49 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.55 2q42 h PRO 35 Cb 0.85 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2q42 h PRO 35 CO -0.47 0.26 -0.19 0.82 -0.21 0.00 0.00 178.00 178.21 2q42 h ILE 36 N 0.23 0.36 -0.81 4.15 1.08 -1.16 -3.24 117.51 118.12 2q42 h ILE 36 Ca 0.06 -0.65 0.20 0.00 -0.39 0.00 0.00 64.86 64.07 2q42 h ILE 36 Cb 0.17 0.57 -0.14 0.00 -3.07 0.00 0.00 36.82 34.35 2q42 h ILE 36 CO 0.00 0.08 0.11 0.40 -0.69 0.00 0.00 178.15 178.05 2q42 h ILE 37 N -1.01 0.33 0.00 -0.67 2.04 -1.45 0.30 117.51 117.06 2q42 h ILE 37 Ca -0.05 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2q42 h ILE 37 Cb 0.53 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2q42 h ILE 37 CO 0.09 0.03 0.00 -0.67 0.00 0.00 0.00 178.15 177.60 2q42 n ASP 38 N -5.29 1.99 0.00 1.72 2.03 -0.73 -2.07 116.55 114.21 2q42 n ASP 38 Ca 0.17 -1.37 0.00 0.00 0.52 0.00 0.00 54.79 54.11 2q42 n ASP 38 Cb 0.56 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 2q42 n ASP 38 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2q42 n SER 39 N 0.64 0.66 -0.11 1.67 7.64 0.10 -4.86 113.62 119.36 2q42 n SER 39 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 2q42 n SER 39 Cb 0.33 0.08 -0.08 0.00 -1.01 0.00 0.00 64.21 63.53 2q42 n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2q42 n LEU 40 N -0.62 1.12 -4.49 -3.43 -0.00 -0.88 -4.87 117.00 103.84 2q42 n LEU 40 Ca 0.00 -0.57 -0.43 0.00 -0.00 0.00 0.00 56.01 55.01 2q42 n LEU 40 Cb 0.06 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.39 2q42 n LEU 40 CO 0.00 0.25 0.18 -0.54 -0.00 0.00 0.00 177.39 177.28 2q42 s LYS 41 N -2.59 3.14 0.00 1.47 -0.14 -0.89 -3.55 119.74 117.18 2q42 s LYS 41 Ca 0.09 -0.69 0.00 0.00 -1.36 0.00 0.00 55.97 54.02 2q42 s LYS 41 Cb 0.14 -3.97 0.00 0.00 -1.68 0.00 0.00 37.83 32.32 2q42 s LYS 41 CO 0.68 -0.91 0.00 0.54 -0.76 0.00 0.00 175.35 174.90 2q42 n ARG 42 N 5.78 0.00 0.10 1.68 1.74 -1.26 -4.95 116.66 119.75 2q42 n ARG 42 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 2q42 n ARG 42 Cb 0.47 -0.17 0.00 0.00 -1.02 0.00 0.00 32.46 31.74 2q42 n ARG 42 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2q42 n SER 43 N -1.57 0.11 0.00 0.55 7.64 -1.26 -5.09 113.62 114.01 2q42 n SER 43 Ca 0.00 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.21 2q42 n SER 43 Cb 0.00 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2q42 n SER 43 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2q42 n GLY 44 N 1.98 -2.10 2.92 0.23 0.00 -1.26 -5.16 105.19 101.79 2q42 n GLY 44 Ca 0.00 1.02 -0.20 0.00 0.00 0.00 0.00 46.02 46.83 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 0.00 0.96 0.15 1.61 3.00 -1.23 -5.12 118.95 118.31 2q42 s ARG 45 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 55.73 55.59 2q42 s ARG 45 Cb 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 34.95 34.06 2q42 s ARG 45 CO 0.00 -0.06 0.13 0.09 0.00 0.00 0.00 175.30 175.46 2q42 n ASN 46 N 3.97 1.24 -4.26 0.23 3.02 -1.26 -4.54 115.26 113.66 2q42 n ASN 46 Ca -0.25 -1.47 -0.34 0.00 -0.03 0.00 0.00 54.58 52.49 2q42 n ASN 46 Cb 0.51 -0.03 -0.15 0.00 -0.61 0.00 0.00 39.78 39.50 2q42 n ASN 46 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2q42 s LEU 47 N 0.00 2.56 -0.21 3.41 2.96 -1.26 -4.62 118.68 121.53 2q42 s LEU 47 Ca 0.10 -0.46 -0.20 0.00 -0.22 0.00 0.00 54.13 53.35 2q42 s LEU 47 Cb -0.01 -1.61 -0.19 0.00 0.50 0.00 0.00 46.19 44.88 2q42 s LEU 47 CO 0.06 0.04 0.19 0.41 -1.32 0.00 0.00 176.35 175.73 2q42 n THR 48 N 4.34 1.55 -4.32 3.68 -1.04 -0.21 -3.76 114.28 114.52 2q42 n THR 48 Ca -0.19 -0.10 -0.23 0.00 -2.04 0.00 0.00 64.05 61.49 2q42 n THR 48 Cb 0.51 -2.01 -0.13 0.00 -1.82 0.00 0.00 70.33 66.89 2q42 n THR 48 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2q42 s TYR 49 N -2.39 1.71 -0.11 -1.42 2.02 -0.89 -0.19 117.35 116.08 2q42 s TYR 49 Ca -0.29 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.00 2q42 s TYR 49 Cb 0.07 -0.95 0.02 0.00 -0.40 0.00 0.00 41.96 40.69 2q42 s TYR 49 CO 0.60 0.17 -0.13 0.42 -1.57 0.00 0.00 175.55 175.04 2q42 s ILE 50 N -1.11 1.34 -0.08 2.71 1.01 0.48 -0.30 121.20 125.25 2q42 s ILE 50 Ca 0.05 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.23 2q42 s ILE 50 Cb -0.10 -1.26 -0.00 0.00 0.01 0.00 0.00 42.46 41.11 2q42 s ILE 50 CO 0.04 0.41 -0.23 -0.76 0.00 0.00 0.00 174.94 174.40 2q42 s LEU 51 N 1.24 2.05 -0.04 2.97 1.02 0.14 -1.47 118.68 124.59 2q42 s LEU 51 Ca -0.02 -0.51 0.05 0.00 0.02 0.00 0.00 54.13 53.67 2q42 s LEU 51 Cb -0.14 -1.33 -0.02 0.00 0.02 0.00 0.00 46.19 44.71 2q42 s LEU 51 CO -0.05 0.18 -0.18 0.20 0.02 0.00 0.00 176.35 176.53 2q42 s ASN 52 N 0.15 3.71 -0.02 2.29 -0.87 -1.26 -0.42 114.94 118.52 2q42 s ASN 52 Ca -0.12 -0.29 -0.08 0.00 -1.57 0.00 0.00 52.86 50.80 2q42 s ASN 52 Cb -0.16 -0.68 -0.30 0.00 -0.02 0.00 0.00 41.25 40.10 2q42 s ASN 52 CO 0.06 0.33 0.78 0.71 -2.57 0.00 0.00 177.10 176.41 2q42 h THR 53 N 4.37 1.06 -3.31 1.60 1.35 -1.89 -3.41 112.91 112.67 2q42 h THR 53 Ca -0.45 -2.65 -0.06 0.00 -0.55 0.00 0.00 66.41 62.69 2q42 h THR 53 Cb 1.14 2.78 -0.04 0.00 -1.73 0.00 0.00 68.15 70.31 2q42 h THR 53 CO 0.49 0.83 0.12 -1.38 -0.25 0.00 0.00 175.52 175.33 2q42 s HIS 54 N -2.60 0.29 -0.73 4.73 -3.43 -1.26 0.53 115.29 112.82 2q42 s HIS 54 Ca -0.12 -0.79 0.26 0.00 -0.80 0.00 0.00 55.06 53.60 2q42 s HIS 54 Cb 0.06 0.54 0.67 0.00 -1.43 0.00 0.00 32.58 32.43 2q42 s HIS 54 CO 0.86 -1.35 1.63 -2.39 -2.00 0.00 0.00 174.74 171.49 2q42 n HIS 55 N -0.51 0.74 -1.65 0.38 -0.00 -1.26 -4.62 115.22 108.30 2q42 n HIS 55 Ca -0.05 0.21 -0.43 0.00 -0.00 0.00 0.00 57.72 57.46 2q42 n HIS 55 Cb 0.60 -0.81 -0.00 0.00 -0.00 0.00 0.00 29.99 29.78 2q42 n HIS 55 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2q42 n HIS 56 N -2.15 1.74 -0.22 -1.40 8.25 -1.26 -4.65 115.22 115.52 2q42 n HIS 56 Ca 0.05 0.59 0.19 0.00 -0.26 0.00 0.00 57.72 58.29 2q42 n HIS 56 Cb 0.43 -2.32 0.52 0.00 1.12 0.00 0.00 29.99 29.73 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 2.13 0.51 0.00 4.41 3.20 -1.95 0.15 116.97 125.41 2q42 h TYR 57 Ca -0.44 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.45 2q42 h TYR 57 Cb 1.31 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.43 2q42 h TYR 57 CO 0.48 0.15 0.00 -0.40 -1.64 0.00 0.00 178.16 176.75 2q42 n ASP 58 N -4.50 0.00 0.00 -2.11 5.75 -1.26 -0.28 116.55 114.15 2q42 n ASP 58 Ca 0.18 -0.67 0.00 0.00 -0.01 0.00 0.00 54.79 54.29 2q42 n ASP 58 Cb 0.67 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 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 -0.96 0.00 -0.20 2.11 8.25 0.48 -4.06 115.22 120.84 2q42 n HIS 59 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 2q42 n HIS 59 Cb 0.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.17 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 -0.99 0.00 -0.28 1.59 -2.24 -0.99 -3.38 114.28 107.99 2q42 n THR 60 Ca 0.00 -0.35 0.09 0.00 -2.27 0.00 0.00 64.05 61.52 2q42 n THR 60 Cb 0.00 1.20 0.23 0.00 -2.10 0.00 0.00 70.33 69.66 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 1.15 -0.50 3.38 0.00 -0.71 -0.51 103.07 105.88 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 -0.30 0.00 0.61 0.00 0.00 0.00 176.54 176.85 2q42 n GLY 62 N -1.38 0.02 0.34 4.60 0.00 -0.50 -4.58 105.19 103.69 2q42 n GLY 62 Ca 0.18 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 2q42 n GLY 62 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2q42 h ASN 63 N 1.87 -1.03 -0.16 1.61 2.35 -1.25 -1.92 115.58 117.06 2q42 h ASN 63 Ca 0.00 0.15 -0.13 0.00 -0.55 0.00 0.00 56.30 55.77 2q42 h ASN 63 Cb 0.41 0.44 0.00 0.00 0.05 0.00 0.00 38.32 39.22 2q42 h ASN 63 CO 0.00 -0.36 -0.40 -0.07 -1.65 0.00 0.00 177.43 174.95 2q42 h LEU 64 N -0.38 0.64 -1.75 1.61 3.38 -1.81 0.73 115.31 117.72 2q42 h LEU 64 Ca 0.10 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 2q42 h LEU 64 Cb 0.55 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2q42 h LEU 64 CO -0.38 1.10 0.06 -0.08 0.09 0.00 0.00 178.44 179.23 2q42 h GLU 65 N 0.20 0.22 0.18 1.13 4.81 -1.86 0.24 114.58 119.49 2q42 h GLU 65 Ca -0.00 -0.02 -0.24 0.00 -0.13 0.00 0.00 59.36 58.96 2q42 h GLU 65 Cb 1.02 -0.05 0.03 0.00 0.63 0.00 0.00 28.75 30.38 2q42 h GLU 65 CO 0.09 0.19 -1.07 -0.07 -0.73 0.00 0.00 179.01 177.41 2q42 h LEU 66 N 0.22 0.59 0.35 1.64 3.38 -1.13 -3.24 115.31 117.12 2q42 h LEU 66 Ca 0.06 -0.94 -0.02 0.00 0.09 0.00 0.00 57.88 57.07 2q42 h LEU 66 Cb 0.06 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2q42 h LEU 66 CO -0.01 1.51 -0.17 0.50 0.09 0.00 0.00 178.44 180.37 2q42 h LYS 67 N -0.19 -0.45 -0.84 1.13 3.64 -0.48 -2.50 116.57 116.87 2q42 h LYS 67 Ca -0.19 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2q42 h LYS 67 Cb 1.83 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 2q42 h LYS 67 CO 0.19 -0.19 0.00 -0.40 -2.27 0.00 0.00 179.45 176.78 2q42 n ASP 68 N -5.22 0.99 0.00 4.20 3.85 0.80 -1.80 116.55 119.38 2q42 n ASP 68 Ca -0.10 -1.26 0.00 0.00 -0.71 0.00 0.00 54.79 52.72 2q42 n ASP 68 Cb 0.25 -0.31 0.00 0.00 -1.35 0.00 0.00 41.12 39.71 2q42 n ASP 68 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2q42 n ARG 69 N 0.33 3.52 0.00 0.11 3.00 -1.07 -4.90 116.66 117.65 2q42 n ARG 69 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2q42 n ARG 69 Cb 0.20 -0.69 0.00 0.00 0.00 0.00 0.00 32.46 31.97 2q42 n ARG 69 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2q42 n TYR 70 N -0.62 0.00 -0.98 -1.55 4.01 -0.97 -5.01 117.16 112.05 2q42 n TYR 70 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2q42 n TYR 70 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 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 1.62 0.47 3.70 2.72 0.00 -0.74 -4.76 105.19 108.19 2q42 n GLY 71 Ca 0.00 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.00 1.83 -0.15 4.61 0.00 -1.25 -4.99 121.76 119.81 2q42 s ALA 72 Ca 0.00 0.77 -0.07 0.00 0.00 0.00 0.00 51.96 52.66 2q42 s ALA 72 Cb 0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2q42 s ALA 72 CO 0.00 -2.30 0.10 0.15 0.00 0.00 0.00 175.76 173.72 2q42 s LYS 73 N -4.24 3.68 -0.11 0.00 -0.14 0.73 -4.83 119.74 114.83 2q42 s LYS 73 Ca 0.71 -0.23 -0.03 0.00 -1.36 0.00 0.00 55.97 55.06 2q42 s LYS 73 Cb -0.27 -3.20 -0.03 0.00 -1.68 0.00 0.00 37.83 32.64 2q42 s LYS 73 CO 0.51 0.55 0.03 0.08 -0.76 0.00 0.00 175.35 175.76 2q42 s VAL 74 N -0.39 4.56 0.00 3.17 1.01 -1.26 -0.39 120.40 127.11 2q42 s VAL 74 Ca 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2q42 s VAL 74 Cb -0.12 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2q42 s VAL 74 CO 0.01 0.59 0.00 -0.38 0.00 0.00 0.00 175.10 175.32 2q42 n ILE 75 N 2.33 0.00 0.00 2.22 2.08 -0.54 -0.16 119.36 125.29 2q42 n ILE 75 Ca -0.19 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.12 2q42 n ILE 75 Cb 0.54 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.43 2q42 n ILE 75 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2q42 n GLY 76 N 5.00 3.07 3.71 7.39 0.00 -1.17 -4.26 105.19 118.94 2q42 n GLY 76 Ca 0.00 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 2q42 n GLY 76 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2q42 s SER 77 N 0.00 7.25 0.29 1.61 0.15 -1.26 -1.40 113.70 120.35 2q42 s SER 77 Ca 0.00 1.79 0.22 0.00 0.70 0.00 0.00 55.95 58.66 2q42 s SER 77 Cb 0.00 -2.57 1.09 0.00 -1.71 0.00 0.00 66.02 62.83 2q42 s SER 77 CO 0.00 -0.35 1.66 0.00 1.20 0.00 0.00 173.24 175.74 2q42 n ALA 78 N 3.98 1.21 0.05 5.45 0.00 0.28 -1.19 120.51 130.29 2q42 n ALA 78 Ca 0.07 0.16 -0.16 0.00 0.00 0.00 0.00 53.44 53.52 2q42 n ALA 78 Cb 0.49 -1.33 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 2q42 n ALA 78 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2q42 h MET 79 N 0.00 0.56 -0.89 0.00 2.86 -1.88 -3.34 114.93 112.24 2q42 h MET 79 Ca 0.00 -0.57 -0.57 0.00 -2.06 0.00 0.00 59.70 56.51 2q42 h MET 79 Cb 0.10 0.15 -0.42 0.00 0.06 0.00 0.00 31.60 31.50 2q42 h MET 79 CO 0.00 1.19 -0.69 -3.47 1.06 0.00 0.00 176.91 175.00 2q42 n ASP 80 N -3.82 5.09 -0.06 1.22 4.64 -0.33 -4.80 116.55 118.49 2q42 n ASP 80 Ca -0.08 -3.75 0.18 0.00 -1.38 0.00 0.00 54.79 49.76 2q42 n ASP 80 Cb 0.83 -0.40 0.62 0.00 -1.04 0.00 0.00 41.12 41.12 2q42 n ASP 80 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 2q42 h LYS 81 N 2.24 0.16 0.00 -0.67 3.64 -1.60 -1.57 116.57 118.77 2q42 h LYS 81 Ca 0.38 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.73 2q42 h LYS 81 Cb 1.39 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.17 2q42 h LYS 81 CO 0.83 0.10 -0.08 -0.44 -2.27 0.00 0.00 179.45 177.59 2q42 h ASP 82 N 0.16 0.00 -2.24 4.20 3.32 -1.90 -3.32 116.42 116.64 2q42 h ASP 82 Ca 0.29 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.75 2q42 h ASP 82 Cb 0.94 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 40.07 2q42 h ASP 82 CO -0.04 0.08 -0.65 0.54 -1.72 0.00 0.00 179.24 177.44 2q42 n ARG 83 N -3.37 2.90 -3.29 3.56 1.74 -0.59 -4.94 116.66 112.67 2q42 n ARG 83 Ca -0.01 -4.73 -0.06 0.00 -0.77 0.00 0.00 57.85 52.29 2q42 n ARG 83 Cb 0.25 -2.21 -0.06 0.00 -1.02 0.00 0.00 32.46 29.43 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 -3.73 -0.71 0.23 0.55 -1.09 -1.25 -4.49 121.20 110.70 2q42 s ILE 84 Ca 0.46 -0.11 -0.31 0.00 -2.23 0.00 0.00 60.65 58.46 2q42 s ILE 84 Cb 0.24 -0.90 -0.10 0.00 -1.58 0.00 0.00 42.46 40.11 2q42 s ILE 84 CO -0.10 -0.13 1.53 -2.84 -1.23 0.00 0.00 174.94 172.17 2q42 s PRO 85 N 2.62 4.21 0.00 2.79 0.02 -1.26 -2.80 135.00 140.58 2q42 s PRO 85 Ca 0.13 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.56 2q42 s PRO 85 Cb -0.14 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.28 2q42 s PRO 85 CO -0.21 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.32 2q42 n GLY 86 N 2.79 0.62 3.62 0.52 0.00 -1.26 -4.66 105.19 106.82 2q42 n GLY 86 Ca 0.10 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.58 2q42 n GLY 86 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2q42 n ILE 87 N -2.26 0.08 -0.01 -0.61 3.06 -1.12 -4.38 119.36 114.13 2q42 n ILE 87 Ca 0.00 -0.01 -0.01 0.00 -2.50 0.00 0.00 62.75 60.23 2q42 n ILE 87 Cb 0.04 -0.89 -0.01 0.00 0.54 0.00 0.00 39.64 39.32 2q42 n ILE 87 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 2q42 n ASP 88 N 3.25 4.28 -4.00 9.51 8.00 0.77 -4.95 116.55 133.42 2q42 n ASP 88 Ca 0.21 -0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.40 2q42 n ASP 88 Cb 0.17 0.27 -0.16 0.00 -0.02 0.00 0.00 41.12 41.37 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 -2.03 2.12 -0.15 -1.24 1.75 0.16 -5.00 119.30 114.91 2q42 s MET 89 Ca -0.01 -0.58 -0.11 0.00 -1.25 0.00 0.00 55.69 53.73 2q42 s MET 89 Cb 0.01 -2.11 -0.05 0.00 2.84 0.00 0.00 34.83 35.52 2q42 s MET 89 CO 0.05 -0.29 0.21 0.00 -0.65 0.00 0.00 175.02 174.34 2q42 s ALA 90 N 1.50 3.70 0.06 4.11 0.00 -1.26 -3.02 121.76 126.85 2q42 s ALA 90 Ca 0.03 -0.55 0.05 0.00 0.00 0.00 0.00 51.96 51.50 2q42 s ALA 90 Cb -0.14 -2.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 2q42 s ALA 90 CO -0.10 0.27 -0.15 -0.51 0.00 0.00 0.00 175.76 175.26 2q42 s LEU 91 N -0.04 2.22 0.48 0.00 1.43 -0.49 -4.64 118.68 117.64 2q42 s LEU 91 Ca 0.14 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 52.76 2q42 s LEU 91 Cb -0.12 -0.63 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 2q42 s LEU 91 CO 0.03 0.01 0.25 -0.54 0.23 0.00 0.00 176.35 176.33 2q42 s LYS 92 N -1.40 2.25 0.29 1.70 3.01 -1.26 -0.56 119.74 123.77 2q42 s LYS 92 Ca 0.01 -2.00 -0.30 0.00 -1.01 0.00 0.00 55.97 52.67 2q42 s LYS 92 Cb -0.09 -1.96 -0.12 0.00 -1.01 0.00 0.00 37.83 34.64 2q42 s LYS 92 CO 0.02 -0.37 1.45 -3.47 0.51 0.00 0.00 175.35 173.49 2q42 n ASP 93 N -1.47 3.18 0.00 2.83 2.03 -1.26 -1.54 116.55 120.32 2q42 n ASP 93 Ca -0.04 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.43 2q42 n ASP 93 Cb 0.65 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 2q42 n ASP 93 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2q42 n GLY 94 N 1.78 2.83 3.78 0.27 0.00 0.14 -4.98 105.19 109.01 2q42 n GLY 94 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.86 6.44 -0.09 1.61 1.11 -0.59 -4.74 116.67 116.55 2q42 s ASP 95 Ca 0.00 2.97 -0.04 0.00 0.18 0.00 0.00 52.55 55.66 2q42 s ASP 95 Cb 0.00 -2.66 -0.04 0.00 1.07 0.00 0.00 42.92 41.29 2q42 s ASP 95 CO 0.00 -0.80 0.10 -0.54 1.18 0.00 0.00 175.17 175.11 2q42 s LYS 96 N -2.01 3.27 -0.03 8.23 1.02 -1.26 -1.06 119.74 127.91 2q42 s LYS 96 Ca 0.52 -0.26 0.01 0.00 0.02 0.00 0.00 55.97 56.25 2q42 s LYS 96 Cb -0.45 -3.04 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 2q42 s LYS 96 CO 0.61 0.73 -0.02 -0.46 -0.92 0.00 0.00 175.35 175.30 2q42 s TRP 97 N -1.04 0.38 -0.27 3.18 -0.00 -0.36 -4.98 118.94 115.85 2q42 s TRP 97 Ca 0.17 -0.05 -0.12 0.00 -0.00 0.00 0.00 56.10 56.10 2q42 s TRP 97 Cb -0.12 -0.40 -0.05 0.00 -0.00 0.00 0.00 33.47 32.91 2q42 s TRP 97 CO 0.06 -0.11 0.24 -1.64 -0.00 0.00 0.00 176.95 175.50 2q42 s MET 98 N 0.74 3.98 -0.74 5.86 -1.94 -1.26 -0.77 119.30 125.16 2q42 s MET 98 Ca -0.08 -0.21 -0.17 0.00 -1.71 0.00 0.00 55.69 53.53 2q42 s MET 98 Cb -0.11 -3.65 0.15 0.00 2.01 0.00 0.00 34.83 33.24 2q42 s MET 98 CO -0.01 -0.19 0.79 0.12 -0.01 0.00 0.00 175.02 175.73 2q42 s PHE 99 N 1.79 3.33 -1.40 -0.03 5.36 0.37 -4.44 117.98 122.95 2q42 s PHE 99 Ca 0.09 -1.47 -0.03 0.00 -0.96 0.00 0.00 56.93 54.57 2q42 s PHE 99 Cb -0.16 -3.98 0.02 0.00 -0.34 0.00 0.00 43.02 38.57 2q42 s PHE 99 CO 0.10 -1.19 0.65 0.00 -1.46 0.00 0.00 175.22 173.32 2q42 n ALA 100 N 5.40 -1.85 -0.76 11.12 0.00 -1.26 -0.94 120.51 132.22 2q42 n ALA 100 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2q42 n ALA 100 Cb 0.45 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 -1.72 1.01 3.46 0.00 0.00 -1.26 -5.00 105.19 101.68 2q42 n GLY 101 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 2q42 n GLY 101 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2q42 s HIS 102 N -3.57 3.09 0.10 1.61 4.02 -0.11 -5.07 115.29 115.36 2q42 s HIS 102 Ca 0.00 -0.40 -0.31 0.00 1.02 0.00 0.00 55.06 55.38 2q42 s HIS 102 Cb 0.00 -2.22 -0.07 0.00 -1.02 0.00 0.00 32.58 29.26 2q42 s HIS 102 CO 0.00 -0.33 1.35 -2.00 1.02 0.00 0.00 174.74 174.79 2q42 s GLU 103 N 1.52 4.34 -0.11 1.40 2.12 -1.26 -0.48 118.70 126.23 2q42 s GLU 103 Ca 0.06 2.01 0.02 0.00 0.36 0.00 0.00 54.97 57.42 2q42 s GLU 103 Cb -0.15 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 30.96 2q42 s GLU 103 CO 0.04 -0.40 -0.19 0.08 -0.54 0.00 0.00 175.26 174.24 2q42 s VAL 104 N 1.12 2.52 -0.22 3.70 1.01 0.05 -3.99 120.40 124.59 2q42 s VAL 104 Ca 0.63 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.69 2q42 s VAL 104 Cb -0.35 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 2q42 s VAL 104 CO 0.30 0.54 0.04 -1.00 0.00 0.00 0.00 175.10 174.99 2q42 s HIS 105 N 0.35 3.09 -0.14 5.22 3.76 0.75 -1.23 115.29 127.09 2q42 s HIS 105 Ca -0.15 -0.38 -0.23 0.00 -0.15 0.00 0.00 55.06 54.15 2q42 s HIS 105 Cb -0.17 -2.16 -0.03 0.00 1.11 0.00 0.00 32.58 31.33 2q42 s HIS 105 CO 0.07 -0.26 0.70 0.08 -0.85 0.00 0.00 174.74 174.48 2q42 s VAL 106 N 1.25 5.00 -0.19 -0.90 1.01 -0.22 -1.29 120.40 125.06 2q42 s VAL 106 Ca 0.04 1.38 0.01 0.00 0.00 0.00 0.00 61.98 63.41 2q42 s VAL 106 Cb -0.15 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.25 2q42 s VAL 106 CO 0.03 0.15 -0.14 -0.04 0.00 0.00 0.00 175.10 175.10 2q42 s MET 107 N 1.50 2.41 0.30 2.72 -1.94 -0.84 0.28 119.30 123.73 2q42 s MET 107 Ca 0.34 -0.86 -0.29 0.00 -1.71 0.00 0.00 55.69 53.16 2q42 s MET 107 Cb -0.17 -2.48 -0.10 0.00 2.01 0.00 0.00 34.83 34.09 2q42 s MET 107 CO 0.14 -0.35 1.41 -0.51 -0.01 0.00 0.00 175.02 175.70 2q42 s ASP 108 N 1.33 6.64 -0.36 3.03 1.01 -1.26 -0.79 116.67 126.27 2q42 s ASP 108 Ca 0.01 2.74 0.13 0.00 0.71 0.00 0.00 52.55 56.14 2q42 s ASP 108 Cb -0.15 -2.64 0.38 0.00 1.01 0.00 0.00 42.92 41.52 2q42 s ASP 108 CO -0.10 -0.68 0.79 0.35 0.21 0.00 0.00 175.17 175.75 2q42 n THR 109 N 1.54 0.20 -0.90 -1.27 -2.24 -0.72 -4.83 114.28 106.05 2q42 n THR 109 Ca 0.04 -4.20 -0.33 0.00 -2.27 0.00 0.00 64.05 57.28 2q42 n THR 109 Cb 0.40 -0.04 0.13 0.00 -2.10 0.00 0.00 70.33 68.73 2q42 n THR 109 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2q42 n PRO 110 N 0.18 -0.13 0.00 -0.78 -0.04 -1.26 -4.58 135.00 128.38 2q42 n PRO 110 Ca 0.21 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2q42 n PRO 110 Cb 0.70 -2.18 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 2q42 n PRO 110 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2q42 n GLY 111 N 0.86 0.95 0.26 0.55 0.00 -1.26 -3.54 105.19 103.02 2q42 n GLY 111 Ca 0.11 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 1.06 -4.03 1.61 -0.00 -1.81 -1.35 115.15 110.64 2q42 h HIS 112 Ca 0.00 -0.32 -0.12 0.00 -0.00 0.00 0.00 60.37 59.93 2q42 h HIS 112 Cb 0.00 -0.22 -0.16 0.00 -0.00 0.00 0.00 27.41 27.03 2q42 h HIS 112 CO 0.00 1.13 -0.59 0.95 -0.00 0.00 0.00 177.93 179.42 2q42 s THR 113 N -4.37 0.17 -0.46 6.26 -4.23 -1.26 -2.36 115.64 109.39 2q42 s THR 113 Ca -0.10 -1.43 -0.19 0.00 -1.18 0.00 0.00 61.69 58.79 2q42 s THR 113 Cb 0.11 -1.20 0.04 0.00 1.34 0.00 0.00 72.50 72.79 2q42 s THR 113 CO 0.87 -0.79 0.54 -0.54 -0.54 0.00 0.00 174.62 174.17 2q42 s LYS 114 N -3.32 3.13 0.00 3.99 1.02 -1.26 -3.67 119.74 119.63 2q42 s LYS 114 Ca 0.01 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.24 2q42 s LYS 114 Cb 0.03 -4.02 0.00 0.00 -0.52 0.00 0.00 37.83 33.32 2q42 s LYS 114 CO -0.08 -1.03 0.00 0.41 -0.92 0.00 0.00 175.35 173.73 2q42 n GLY 115 N 5.12 1.38 3.64 -3.33 0.00 -1.26 -4.82 105.19 105.93 2q42 n GLY 115 Ca -0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.52 2q42 n GLY 115 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2q42 n HIS 116 N 0.00 1.75 -3.81 1.61 -0.00 -1.24 -4.61 115.22 108.91 2q42 n HIS 116 Ca 0.00 0.61 -0.27 0.00 -0.00 0.00 0.00 57.72 58.07 2q42 n HIS 116 Cb 0.00 -2.34 -0.17 0.00 -0.00 0.00 0.00 29.99 27.48 2q42 n HIS 116 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 2q42 s ILE 117 N -0.86 0.74 0.56 3.57 -4.36 0.19 -1.76 121.20 119.28 2q42 s ILE 117 Ca 0.60 -0.42 -0.10 0.00 -0.26 0.00 0.00 60.65 60.47 2q42 s ILE 117 Cb -0.66 -1.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.99 2q42 s ILE 117 CO 0.59 0.05 0.95 -0.44 0.24 0.00 0.00 174.94 176.32 2q42 s SER 118 N 1.79 6.29 -0.18 4.36 0.01 0.03 -4.54 113.70 121.46 2q42 s SER 118 Ca 0.01 1.28 0.00 0.00 1.31 0.00 0.00 55.95 58.56 2q42 s SER 118 Cb -0.15 -2.40 0.04 0.00 0.21 0.00 0.00 66.02 63.71 2q42 s SER 118 CO -0.07 -0.74 -0.10 -0.76 0.41 0.00 0.00 173.24 171.98 2q42 s LEU 119 N -4.90 1.97 -0.21 2.44 1.43 0.32 -1.99 118.68 117.72 2q42 s LEU 119 Ca 0.53 -0.74 -0.10 0.00 -1.03 0.00 0.00 54.13 52.79 2q42 s LEU 119 Cb -0.11 -1.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.94 2q42 s LEU 119 CO 0.49 -0.14 0.13 -0.47 0.23 0.00 0.00 176.35 176.59 2q42 s TYR 120 N 1.48 3.34 -0.57 0.29 5.04 -0.41 -1.28 117.35 125.25 2q42 s TYR 120 Ca 0.01 0.24 -0.03 0.00 -2.44 0.00 0.00 57.07 54.84 2q42 s TYR 120 Cb -0.15 -2.19 0.15 0.00 0.35 0.00 0.00 41.96 40.11 2q42 s TYR 120 CO -0.09 0.17 0.38 -0.06 -1.34 0.00 0.00 175.55 174.61 2q42 s PHE 121 N 0.65 3.45 0.47 4.97 0.08 -1.01 -0.18 117.98 126.40 2q42 s PHE 121 Ca 0.07 -2.65 0.15 0.00 0.12 0.00 0.00 56.93 54.61 2q42 s PHE 121 Cb -0.12 -3.20 1.11 0.00 -0.57 0.00 0.00 43.02 40.24 2q42 s PHE 121 CO 0.01 -0.87 2.05 -1.00 -0.10 0.00 0.00 175.22 175.31 2q42 h PRO 122 N 7.26 0.26 0.00 0.24 0.13 -1.81 -1.18 132.00 136.90 2q42 h PRO 122 Ca -0.05 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2q42 h PRO 122 Cb 0.97 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.04 2q42 h PRO 122 CO 0.71 0.17 0.00 0.41 -0.23 0.00 0.00 178.00 179.06 2q42 n GLY 123 N -1.53 -1.11 0.23 1.56 0.00 -1.26 -2.53 105.19 100.56 2q42 n GLY 123 Ca 0.05 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.00 2q42 n GLY 123 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2q42 n SER 124 N -1.36 1.73 -3.85 1.61 7.64 -0.48 -4.89 113.62 114.02 2q42 n SER 124 Ca 0.09 -1.45 -0.25 0.00 1.01 0.00 0.00 58.87 58.28 2q42 n SER 124 Cb 0.21 -0.03 0.01 0.00 -1.01 0.00 0.00 64.21 63.38 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 0.20 -4.26 -3.86 1.43 1.74 -1.00 -4.89 116.66 106.01 2q42 n ARG 125 Ca 0.04 0.52 -0.09 0.00 -0.77 0.00 0.00 57.85 57.55 2q42 n ARG 125 Cb 0.19 -4.96 -0.00 0.00 -1.02 0.00 0.00 32.46 26.67 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 -3.72 -0.78 -0.17 7.54 0.00 -1.21 -0.51 121.76 122.91 2q42 s ALA 126 Ca 0.11 -0.65 -0.11 0.00 0.00 0.00 0.00 51.96 51.32 2q42 s ALA 126 Cb -0.06 0.80 0.05 0.00 0.00 0.00 0.00 23.12 23.92 2q42 s ALA 126 CO 0.85 -0.98 0.41 -1.50 0.00 0.00 0.00 175.76 174.54 2q42 s ILE 127 N -3.08 -0.02 -0.42 0.00 2.07 0.14 -2.41 121.20 117.48 2q42 s ILE 127 Ca 0.15 0.07 -0.24 0.00 -1.41 0.00 0.00 60.65 59.23 2q42 s ILE 127 Cb -0.05 -0.60 0.02 0.00 0.13 0.00 0.00 42.46 41.96 2q42 s ILE 127 CO 0.10 0.03 0.82 -0.36 -1.91 0.00 0.00 174.94 173.62 2q42 s PHE 128 N 1.12 3.02 -1.60 3.50 0.08 -0.40 -1.56 117.98 122.13 2q42 s PHE 128 Ca -0.07 0.35 0.15 0.00 0.12 0.00 0.00 56.93 57.48 2q42 s PHE 128 Cb -0.07 -3.64 0.23 0.00 -0.57 0.00 0.00 43.02 38.97 2q42 s PHE 128 CO -0.10 -0.92 1.12 0.25 -0.10 0.00 0.00 175.22 175.47 2q42 n THR 129 N 6.08 0.40 -0.34 0.64 -2.24 -0.83 -0.52 114.28 117.46 2q42 n THR 129 Ca 0.03 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 2q42 n THR 129 Cb 0.48 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 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 0.84 3.29 2.26 3.38 0.00 -1.26 -0.59 105.19 113.11 2q42 n GLY 130 Ca 0.11 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 3.69 6.36 -0.08 1.61 8.00 -1.26 0.40 116.55 135.27 2q42 n ASP 131 Ca 0.00 -3.68 -0.12 0.00 0.71 0.00 0.00 54.79 51.70 2q42 n ASP 131 Cb 0.00 -0.93 -0.07 0.00 -0.02 0.00 0.00 41.12 40.10 2q42 n ASP 131 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2q42 h THR 132 N 0.99 0.63 -2.22 -3.53 2.02 -1.22 -1.60 112.91 107.98 2q42 h THR 132 Ca 0.60 -1.66 -0.59 0.00 0.77 0.00 0.00 66.41 65.53 2q42 h THR 132 Cb 1.47 1.38 -0.42 0.00 -1.74 0.00 0.00 68.15 68.85 2q42 h THR 132 CO 1.39 0.21 -0.67 0.80 0.37 0.00 0.00 175.52 177.63 2q42 n MET 133 N -4.57 2.75 -1.55 6.66 0.00 -1.26 -2.78 117.12 116.36 2q42 n MET 133 Ca -0.16 -4.65 -0.49 0.00 -0.00 0.00 0.00 57.70 52.40 2q42 n MET 133 Cb 0.42 -2.18 -0.04 0.00 0.00 0.00 0.00 33.22 31.42 2q42 n MET 133 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 2q42 n PHE 134 N 0.28 0.99 -1.58 1.12 3.72 -0.30 -4.64 117.46 117.05 2q42 n PHE 134 Ca 0.30 0.76 -0.49 0.00 -0.05 0.00 0.00 57.45 57.96 2q42 n PHE 134 Cb 0.42 -2.21 -0.06 0.00 -0.94 0.00 0.00 39.48 36.69 2q42 n PHE 134 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2q42 n SER 135 N 1.85 2.81 0.00 4.37 2.88 -1.26 0.19 113.62 124.46 2q42 n SER 135 Ca 0.15 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 2q42 n SER 135 Cb 0.24 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.36 2q42 n SER 135 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2q42 n LEU 136 N 8.63 0.00 0.00 2.46 4.77 -1.26 -4.19 117.00 127.40 2q42 n LEU 136 Ca 0.31 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.28 2q42 n LEU 136 Cb 0.28 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2q42 n LEU 136 CO 0.74 0.00 0.05 -1.54 -1.33 0.00 0.00 177.39 175.31 2q42 n SER 137 N 0.00 -0.23 -4.23 -1.43 3.41 0.51 -4.33 113.62 107.31 2q42 n SER 137 Ca 0.00 -1.20 -0.13 0.00 -0.26 0.00 0.00 58.87 57.27 2q42 n SER 137 Cb 0.00 0.40 -0.10 0.00 -0.26 0.00 0.00 64.21 64.25 2q42 n SER 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2q42 s GLY 139 N -3.18 2.55 0.61 0.00 0.00 -0.60 -4.74 107.32 101.96 2q42 s GLY 139 Ca 0.29 0.94 -0.19 0.00 0.00 0.00 0.00 44.72 45.76 2q42 s GLY 139 CO 0.07 1.34 1.24 0.54 0.00 0.00 0.00 173.10 176.28 2q42 s LYS 140 N -3.62 2.84 -0.97 2.90 1.02 -1.26 -4.73 119.74 115.92 2q42 s LYS 140 Ca 0.76 1.91 -0.16 0.00 0.02 0.00 0.00 55.97 58.50 2q42 s LYS 140 Cb -0.30 -1.90 0.17 0.00 -0.52 0.00 0.00 37.83 35.28 2q42 s LYS 140 CO 0.39 -1.34 1.10 -0.51 -0.92 0.00 0.00 175.35 174.07 2q42 s LEU 141 N -4.16 5.51 0.01 3.17 1.43 -1.26 -4.21 118.68 119.17 2q42 s LEU 141 Ca 0.79 -2.45 -0.18 0.00 -1.03 0.00 0.00 54.13 51.26 2q42 s LEU 141 Cb -0.33 -2.35 -0.33 0.00 0.03 0.00 0.00 46.19 43.22 2q42 s LEU 141 CO 0.35 -0.85 0.99 -0.26 0.23 0.00 0.00 176.35 176.81 2q42 h PHE 142 N 8.18 0.85 0.00 0.29 0.04 -1.60 -3.41 116.94 121.28 2q42 h PHE 142 Ca 0.18 -0.59 0.00 0.00 2.80 0.00 0.00 57.97 60.35 2q42 h PHE 142 Cb 0.99 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.10 2q42 h PHE 142 CO 1.10 1.45 -0.42 0.39 -0.60 0.00 0.00 178.31 180.23 2q42 n GLU 143 N -3.88 3.47 -3.06 1.51 1.02 -1.08 -5.03 120.64 113.59 2q42 n GLU 143 Ca -0.15 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.81 2q42 n GLU 143 Cb 0.98 -0.68 0.01 0.00 -0.02 0.00 0.00 31.44 31.73 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 1.49 2.62 3.78 0.62 0.00 -0.51 -4.73 105.19 108.46 2q42 n GLY 144 Ca 0.00 -2.25 -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 -1.95 3.13 0.34 2.61 -4.23 -1.26 -4.88 115.64 109.40 2q42 s THR 145 Ca 0.28 -1.58 0.02 0.00 -1.18 0.00 0.00 61.69 59.24 2q42 s THR 145 Cb -0.02 -3.04 0.25 0.00 1.34 0.00 0.00 72.50 71.03 2q42 s THR 145 CO 0.18 -0.16 1.99 -0.65 -0.54 0.00 0.00 174.62 175.44 2q42 h PRO 146 N 1.42 0.82 -0.62 3.99 0.11 -1.94 0.42 132.00 136.22 2q42 h PRO 146 Ca -0.44 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 2q42 h PRO 146 Cb 1.25 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2q42 h PRO 146 CO 0.62 0.57 0.01 -0.22 -0.21 0.00 0.00 178.00 178.77 2q42 h LYS 147 N 0.84 1.08 -0.37 1.05 3.64 -1.95 0.53 116.57 121.39 2q42 h LYS 147 Ca 0.22 -0.34 -0.08 0.00 -1.27 0.00 0.00 60.65 59.19 2q42 h LYS 147 Cb -0.05 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 2q42 h LYS 147 CO -0.04 1.05 -0.08 1.96 -2.27 0.00 0.00 179.45 180.07 2q42 h GLN 148 N 0.98 0.70 -0.38 1.90 4.20 -1.69 -1.81 115.11 119.02 2q42 h GLN 148 Ca 0.18 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 2q42 h GLN 148 Cb 0.55 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 2q42 h GLN 148 CO 0.03 0.85 0.15 1.98 -0.67 0.00 0.00 178.83 181.17 2q42 h MET 149 N 0.50 0.57 -0.70 1.46 4.05 -0.80 -1.29 114.93 118.72 2q42 h MET 149 Ca 0.10 -0.11 0.05 0.00 -0.28 0.00 0.00 59.70 59.46 2q42 h MET 149 Cb 0.58 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.24 2q42 h MET 149 CO 0.03 0.55 0.41 1.25 0.23 0.00 0.00 176.91 179.38 2q42 h LEU 150 N 0.47 0.63 -0.54 3.39 5.85 -0.75 0.01 115.31 124.37 2q42 h LEU 150 Ca 0.13 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 2q42 h LEU 150 Cb 0.20 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2q42 h LEU 150 CO -0.01 0.41 0.25 0.00 -0.34 0.00 0.00 178.44 178.75 2q42 h ALA 151 N 1.35 0.70 -0.69 1.25 0.00 -1.16 -0.04 119.26 120.67 2q42 h ALA 151 Ca 0.31 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2q42 h ALA 151 Cb 0.16 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2q42 h ALA 151 CO -0.17 0.27 0.26 0.77 0.00 0.00 0.00 179.25 180.38 2q42 h SER 152 N 0.73 0.95 -0.36 0.00 0.02 -0.42 -0.46 113.55 114.01 2q42 h SER 152 Ca 0.18 -0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 2q42 h SER 152 Cb 0.14 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2q42 h SER 152 CO -0.02 0.86 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.34 2q42 h LEU 153 N 1.01 0.73 -1.56 5.07 3.38 -0.59 -2.45 115.31 120.89 2q42 h LEU 153 Ca 0.23 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2q42 h LEU 153 Cb 0.22 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2q42 h LEU 153 CO -0.02 0.94 -0.23 1.56 0.09 0.00 0.00 178.44 180.79 2q42 h GLN 154 N 0.51 0.00 -0.08 1.13 4.20 -0.71 0.72 115.11 120.88 2q42 h GLN 154 Ca 0.09 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 2q42 h GLN 154 Cb 0.64 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 2q42 h GLN 154 CO 0.04 0.23 -0.41 0.87 -0.67 0.00 0.00 178.83 178.89 2q42 h LYS 155 N 0.00 0.18 0.08 1.46 1.57 -0.75 -2.35 116.57 116.76 2q42 h LYS 155 Ca -0.00 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 58.56 2q42 h LYS 155 Cb 0.49 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.81 2q42 h LYS 155 CO 0.03 0.56 -0.60 0.82 -0.57 0.00 0.00 179.45 179.69 2q42 h ILE 156 N 0.15 1.55 0.00 1.86 2.04 -0.85 -3.32 117.51 118.94 2q42 h ILE 156 Ca 0.01 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.51 2q42 h ILE 156 Cb 0.79 3.08 0.00 0.00 -0.74 0.00 0.00 36.82 39.95 2q42 h ILE 156 CO 0.06 0.66 0.00 0.35 0.00 0.00 0.00 178.15 179.22 2q42 n THR 157 N -4.25 0.80 0.18 -0.27 -2.24 0.16 -1.90 114.28 106.76 2q42 n THR 157 Ca -0.12 0.17 0.07 0.00 -2.27 0.00 0.00 64.05 61.90 2q42 n THR 157 Cb 0.71 -0.98 0.15 0.00 -2.10 0.00 0.00 70.33 68.11 2q42 n THR 157 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2q42 h SER 158 N 0.00 0.00 -3.33 3.42 4.64 -1.52 -3.45 113.55 113.32 2q42 h SER 158 Ca 0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 2q42 h SER 158 Cb 0.36 0.00 0.20 0.00 -0.31 0.00 0.00 62.40 62.66 2q42 h SER 158 CO 0.00 0.28 0.03 -0.76 -0.87 0.00 0.00 176.83 175.51 2q42 s LEU 159 N -6.40 0.85 0.71 5.97 1.43 -0.80 -4.89 118.68 115.54 2q42 s LEU 159 Ca 0.05 1.41 -0.17 0.00 -1.03 0.00 0.00 54.13 54.39 2q42 s LEU 159 Cb 0.07 -3.34 -0.07 0.00 0.03 0.00 0.00 46.19 42.88 2q42 s LEU 159 CO 0.70 -4.09 0.32 -2.65 0.23 0.00 0.00 176.35 170.86 2q42 n PRO 160 N -4.84 0.24 0.14 1.29 -0.02 -1.26 -4.89 135.00 125.66 2q42 n PRO 160 Ca 0.03 0.11 -0.01 0.00 -2.02 0.00 0.00 63.50 61.61 2q42 n PRO 160 Cb 0.55 -1.63 0.24 0.00 -0.02 0.00 0.00 33.50 32.64 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 -0.34 0.08 -0.32 2.55 5.19 -1.90 -2.95 116.42 118.74 2q42 h ASP 161 Ca -0.45 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 55.92 2q42 h ASP 161 Cb 1.36 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.85 2q42 h ASP 161 CO 0.41 0.56 0.00 -0.90 -3.12 0.00 0.00 179.24 176.19 2q42 n ASP 162 N -3.96 3.32 -4.71 6.45 5.75 -1.26 -1.93 116.55 120.21 2q42 n ASP 162 Ca -0.02 -2.42 -0.42 0.00 -0.01 0.00 0.00 54.79 51.92 2q42 n ASP 162 Cb 0.51 -0.55 -0.03 0.00 -1.03 0.00 0.00 41.12 40.02 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 -1.87 4.57 0.29 2.12 2.01 -1.11 -4.89 115.64 116.75 2q42 s THR 163 Ca 0.29 1.84 -0.28 0.00 0.31 0.00 0.00 61.69 63.85 2q42 s THR 163 Cb 0.21 -4.18 -0.09 0.00 0.01 0.00 0.00 72.50 68.44 2q42 s THR 163 CO 0.10 0.14 0.96 -0.44 -0.69 0.00 0.00 174.62 174.68 2q42 s SER 164 N 1.03 7.43 -0.21 3.53 0.01 0.33 -1.88 113.70 123.95 2q42 s SER 164 Ca 0.54 1.91 -0.00 0.00 1.31 0.00 0.00 55.95 59.72 2q42 s SER 164 Cb -0.24 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.42 2q42 s SER 164 CO 0.28 0.00 -0.14 -0.63 0.41 0.00 0.00 173.24 173.17 2q42 s ILE 165 N -1.42 2.44 -0.44 1.44 1.01 0.26 0.27 121.20 124.77 2q42 s ILE 165 Ca 0.47 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 60.06 2q42 s ILE 165 Cb -0.22 -2.14 0.09 0.00 0.01 0.00 0.00 42.46 40.21 2q42 s ILE 165 CO 0.28 0.39 0.28 -0.31 0.00 0.00 0.00 174.94 175.58 2q42 s TYR 166 N 1.30 3.39 0.42 3.97 2.02 -0.60 -0.97 117.35 126.87 2q42 s TYR 166 Ca 0.03 -1.72 -0.23 0.00 -0.37 0.00 0.00 57.07 54.77 2q42 s TYR 166 Cb -0.15 -3.16 -0.09 0.00 -0.40 0.00 0.00 41.96 38.17 2q42 s TYR 166 CO -0.09 -0.91 1.07 0.00 -1.57 0.00 0.00 175.55 174.05 2q42 h GLY 168 N 2.28 0.00 -2.95 0.00 0.00 -0.37 -3.41 103.07 98.62 2q42 h GLY 168 Ca -0.49 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.69 2q42 h GLY 168 CO 0.61 0.00 -0.57 0.30 0.00 0.00 0.00 176.54 176.88 2q42 s HIS 169 N -3.63 0.66 -1.05 5.60 3.76 -1.26 -1.56 115.29 117.82 2q42 s HIS 169 Ca 0.01 -1.07 -0.11 0.00 -0.15 0.00 0.00 55.06 53.74 2q42 s HIS 169 Cb 0.10 -0.36 0.26 0.00 1.11 0.00 0.00 32.58 33.69 2q42 s HIS 169 CO 0.63 -0.53 1.04 -2.00 -0.85 0.00 0.00 174.74 173.03 2q42 s GLU 170 N -4.00 4.05 0.00 1.40 2.56 -0.35 -4.72 118.70 117.64 2q42 s GLU 170 Ca 0.18 -2.99 0.08 0.00 0.00 0.00 0.00 54.97 52.24 2q42 s GLU 170 Cb 0.07 -4.55 0.04 0.00 2.00 0.00 0.00 34.13 31.69 2q42 s GLU 170 CO -0.02 -1.28 0.69 0.66 -0.56 0.00 0.00 175.26 174.75 2q42 n TYR 171 N 3.17 0.00 -0.22 5.30 4.01 -1.26 -4.78 117.16 123.38 2q42 n TYR 171 Ca 0.22 0.00 0.25 0.00 -0.16 0.00 0.00 57.90 58.21 2q42 n TYR 171 Cb 0.41 0.00 0.63 0.00 -0.31 0.00 0.00 39.34 40.08 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 1.37 0.58 0.51 -0.72 2.02 -1.85 -0.32 112.91 114.51 2q42 h THR 172 Ca 0.00 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 2q42 h THR 172 Cb 0.32 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2q42 h THR 172 CO 0.00 0.03 -0.24 0.25 0.37 0.00 0.00 175.52 175.93 2q42 h LEU 173 N 0.17 -0.58 -1.04 2.58 5.85 -1.90 0.30 115.31 120.70 2q42 h LEU 173 Ca 0.46 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.10 2q42 h LEU 173 Cb 1.54 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.68 2q42 h LEU 173 CO -0.09 -0.20 0.39 -1.28 -0.34 0.00 0.00 178.44 176.92 2q42 h SER 174 N -1.02 0.96 -0.50 1.25 0.87 -1.84 -2.12 113.55 111.15 2q42 h SER 174 Ca -0.07 -0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.42 2q42 h SER 174 Cb 0.61 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 2q42 h SER 174 CO 0.11 0.79 0.30 0.78 -0.53 0.00 0.00 176.83 178.29 2q42 h ASN 175 N 1.07 0.49 -0.02 6.23 4.21 -0.93 -2.19 115.58 124.43 2q42 h ASN 175 Ca 0.27 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.74 2q42 h ASN 175 Cb 0.06 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.15 2q42 h ASN 175 CO -0.04 0.34 -0.09 0.77 -1.29 0.00 0.00 177.43 177.12 2q42 h SER 176 N 0.60 0.24 -0.39 5.81 4.64 0.27 -1.08 113.55 123.65 2q42 h SER 176 Ca 0.20 -0.04 -0.10 0.00 -0.47 0.00 0.00 61.79 61.37 2q42 h SER 176 Cb 0.02 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2q42 h SER 176 CO -0.09 0.37 -0.16 0.11 -0.87 0.00 0.00 176.83 176.19 2q42 h LYS 177 N 0.25 0.80 -0.37 4.77 1.57 -1.10 -0.72 116.57 121.77 2q42 h LYS 177 Ca 0.05 -0.34 -0.07 0.00 -1.87 0.00 0.00 60.65 58.42 2q42 h LYS 177 Cb 0.33 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2q42 h LYS 177 CO 0.02 0.96 -0.05 0.35 -0.57 0.00 0.00 179.45 180.16 2q42 h PHE 178 N 0.60 0.77 -0.98 -1.35 3.57 -1.17 -2.16 116.94 116.22 2q42 h PHE 178 Ca 0.09 -0.15 0.02 0.00 3.53 0.00 0.00 57.97 61.46 2q42 h PHE 178 Cb 0.71 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 2q42 h PHE 178 CO 0.06 0.82 0.65 0.00 -2.23 0.00 0.00 178.31 177.60 2q42 h ALA 179 N 0.85 1.33 0.00 2.41 0.00 -1.06 -1.48 119.26 121.31 2q42 h ALA 179 Ca 0.10 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2q42 h ALA 179 Cb 0.54 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2q42 h ALA 179 CO 0.03 0.59 -0.32 -0.07 0.00 0.00 0.00 179.25 179.49 2q42 h LEU 180 N 1.28 0.00 -1.52 0.00 3.38 -0.94 0.41 115.31 117.93 2q42 h LEU 180 Ca 0.38 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.31 2q42 h LEU 180 Cb -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2q42 h LEU 180 CO -0.10 0.32 -0.16 0.77 0.09 0.00 0.00 178.44 179.35 2q42 h SER 181 N 0.00 0.00 0.05 -0.43 4.64 -0.61 -2.98 113.55 114.23 2q42 h SER 181 Ca -0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 2q42 h SER 181 Cb 0.78 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.82 2q42 h SER 181 CO 0.04 0.16 -2.29 0.18 -0.87 0.00 0.00 176.83 174.06 2q42 n LEU 182 N -3.46 2.84 -3.24 5.97 4.77 -0.65 -4.73 117.00 118.50 2q42 n LEU 182 Ca -0.01 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 2q42 n LEU 182 Cb 0.33 -0.99 -0.06 0.00 -2.33 0.00 0.00 43.42 40.37 2q42 n LEU 182 CO 0.31 0.91 -0.08 1.21 -1.33 0.00 0.00 177.39 178.41 2q42 n GLU 183 N -3.35 1.82 0.28 3.23 2.13 0.04 -4.07 120.64 120.73 2q42 n GLU 183 Ca -0.40 -4.05 0.15 0.00 0.66 0.00 0.00 57.16 53.52 2q42 n GLU 183 Cb 1.01 -1.83 0.84 0.00 0.27 0.00 0.00 31.44 31.73 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 3.78 0.00 -0.65 5.31 0.13 -1.76 -2.49 132.00 136.32 2q42 h PRO 184 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2q42 h PRO 184 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2q42 h PRO 184 CO 0.66 0.07 0.00 0.09 -0.23 0.00 0.00 178.00 178.59 2q42 n ASN 185 N -3.54 4.64 -4.47 1.44 5.03 -1.26 -4.79 115.26 112.30 2q42 n ASN 185 Ca -0.02 -2.65 -0.43 0.00 0.87 0.00 0.00 54.58 52.35 2q42 n ASN 185 Cb 0.19 -0.62 -0.06 0.00 -1.02 0.00 0.00 39.78 38.27 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 -0.69 6.26 0.23 6.41 3.84 -0.94 -4.94 114.94 125.12 2q42 s ASN 186 Ca 0.44 -0.73 0.01 0.00 0.21 0.00 0.00 52.86 52.79 2q42 s ASN 186 Cb 0.32 -2.32 0.25 0.00 -0.55 0.00 0.00 41.25 38.94 2q42 s ASN 186 CO 0.15 -0.95 1.58 -0.33 -2.79 0.00 0.00 177.10 174.76 2q42 h GLU 187 N 9.05 0.40 -0.60 0.43 5.08 -1.90 0.15 114.58 127.20 2q42 h GLU 187 Ca -0.27 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2q42 h GLU 187 Cb 1.09 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.33 2q42 h GLU 187 CO 0.98 0.81 0.37 0.28 -1.00 0.00 0.00 179.01 180.46 2q42 h VAL 188 N 0.32 1.17 -0.47 3.13 2.07 -1.93 0.15 116.25 120.68 2q42 h VAL 188 Ca 0.01 -0.35 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 2q42 h VAL 188 Cb 0.99 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2q42 h VAL 188 CO 0.09 0.17 -0.13 0.25 0.02 0.00 0.00 177.57 177.96 2q42 h LEU 189 N 0.81 0.88 -0.15 2.57 5.85 -1.78 -0.29 115.31 123.19 2q42 h LEU 189 Ca 0.22 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.66 2q42 h LEU 189 Cb -0.05 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 2q42 h LEU 189 CO -0.04 1.01 0.06 1.56 -0.34 0.00 0.00 178.44 180.69 2q42 h GLN 190 N 0.78 0.14 -0.48 1.25 4.20 0.30 0.29 115.11 121.59 2q42 h GLN 190 Ca 0.12 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 2q42 h GLN 190 Cb 0.65 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 2q42 h GLN 190 CO 0.05 0.09 -0.02 0.77 -0.67 0.00 0.00 178.83 179.05 2q42 h SER 191 N 0.14 0.84 -0.36 1.46 0.02 -0.63 -1.68 113.55 113.33 2q42 h SER 191 Ca 0.06 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 2q42 h SER 191 Cb 0.03 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 2q42 h SER 191 CO -0.06 0.96 0.17 0.22 -1.14 0.00 0.00 176.83 176.98 2q42 h TYR 192 N 0.71 0.53 -0.52 3.45 3.20 -0.77 0.16 116.97 123.74 2q42 h TYR 192 Ca 0.13 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 2q42 h TYR 192 Cb 0.54 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 2q42 h TYR 192 CO 0.04 0.46 0.17 0.00 -1.64 0.00 0.00 178.16 177.19 2q42 h ALA 193 N 1.02 1.32 -0.34 1.82 0.00 -0.31 0.29 119.26 123.06 2q42 h ALA 193 Ca 0.12 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2q42 h ALA 193 Cb 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2q42 h ALA 193 CO -0.01 0.50 -0.20 0.00 0.00 0.00 0.00 179.25 179.53 2q42 h ALA 194 N 1.43 0.48 -0.55 0.00 0.00 -1.04 -1.93 119.26 117.65 2q42 h ALA 194 Ca 0.17 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2q42 h ALA 194 Cb 0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2q42 h ALA 194 CO -0.01 0.43 0.15 1.25 0.00 0.00 0.00 179.25 181.07 2q42 h HIS 195 N 0.51 0.86 -0.61 0.00 6.17 -0.56 -1.97 115.15 119.54 2q42 h HIS 195 Ca 0.07 -0.08 -0.02 0.00 0.71 0.00 0.00 60.37 61.06 2q42 h HIS 195 Cb 0.75 -0.25 -0.03 0.00 2.52 0.00 0.00 27.41 30.40 2q42 h HIS 195 CO 0.06 0.72 0.31 0.28 0.71 0.00 0.00 177.93 180.00 2q42 h VAL 196 N 0.81 1.21 -0.83 5.26 2.07 -0.82 -0.56 116.25 123.39 2q42 h VAL 196 Ca 0.18 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 2q42 h VAL 196 Cb 0.28 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 2q42 h VAL 196 CO -0.00 0.24 0.48 0.00 0.02 0.00 0.00 177.57 178.30 2q42 h ALA 197 N 1.13 1.06 -0.52 1.67 0.00 -0.92 -0.13 119.26 121.56 2q42 h ALA 197 Ca 0.21 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2q42 h ALA 197 Cb 0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2q42 h ALA 197 CO -0.03 0.55 0.20 0.93 0.00 0.00 0.00 179.25 180.90 2q42 h GLU 198 N 1.15 0.78 -0.35 0.00 5.08 -0.76 0.19 114.58 120.66 2q42 h GLU 198 Ca 0.29 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2q42 h GLU 198 Cb -0.00 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2q42 h GLU 198 CO -0.05 0.69 0.15 -0.07 -1.00 0.00 0.00 179.01 178.73 2q42 h LEU 199 N 0.70 0.48 -0.97 1.33 3.38 -0.65 -2.79 115.31 116.78 2q42 h LEU 199 Ca 0.17 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2q42 h LEU 199 Cb 0.21 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2q42 h LEU 199 CO -0.01 0.50 -0.48 0.03 0.09 0.00 0.00 178.44 178.57 2q42 h ARG 200 N 0.42 0.00 -0.48 1.13 2.47 -0.85 0.80 114.38 117.87 2q42 h ARG 200 Ca 0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 2q42 h ARG 200 Cb 0.17 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.47 2q42 h ARG 200 CO -0.01 0.48 0.31 0.66 0.56 0.00 0.00 179.97 181.97 2q42 h SER 201 N 0.00 0.56 -0.71 7.04 4.64 -0.35 -1.28 113.55 123.46 2q42 h SER 201 Ca -0.00 -0.02 -0.24 0.00 -0.47 0.00 0.00 61.79 61.06 2q42 h SER 201 Cb 0.91 -0.14 -0.14 0.00 -0.31 0.00 0.00 62.40 62.72 2q42 h SER 201 CO 0.06 0.41 0.27 2.29 -0.87 0.00 0.00 176.83 178.99 2q42 n LYS 202 N -4.46 3.33 -3.98 4.77 2.85 -1.03 -4.97 118.16 114.67 2q42 n LYS 202 Ca 0.04 -3.08 -0.32 0.00 -1.05 0.00 0.00 58.31 53.91 2q42 n LYS 202 Cb 0.06 -2.15 0.01 0.00 -0.65 0.00 0.00 35.03 32.29 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 -0.39 -4.73 -3.98 -1.58 5.02 -0.48 -4.99 118.16 107.02 2q42 n LYS 203 Ca 0.41 0.53 -0.21 0.00 -2.02 0.00 0.00 58.31 57.02 2q42 n LYS 203 Cb 1.36 -5.37 -0.02 0.00 -0.02 0.00 0.00 35.03 30.98 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 -7.25 4.25 0.65 -0.35 1.43 0.24 -4.99 118.68 112.66 2q42 s LEU 204 Ca 0.68 0.03 -0.14 0.00 -1.03 0.00 0.00 54.13 53.66 2q42 s LEU 204 Cb -0.35 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.07 2q42 s LEU 204 CO 0.84 -0.07 1.08 -2.84 0.23 0.00 0.00 176.35 175.59 2q42 s PRO 205 N -3.96 2.99 0.00 1.29 0.02 -1.26 -4.14 135.00 129.94 2q42 s PRO 205 Ca 0.34 1.24 0.09 0.00 0.02 0.00 0.00 61.00 62.69 2q42 s PRO 205 Cb -0.09 -1.99 0.18 0.00 0.02 0.00 0.00 34.50 32.63 2q42 s PRO 205 CO 0.28 -1.08 1.05 0.25 -0.33 0.00 0.00 177.00 177.17 2q42 n THR 206 N -2.43 0.61 -4.76 0.99 -2.24 -1.26 -4.93 114.28 100.27 2q42 n THR 206 Ca 0.09 -0.81 -0.30 0.00 -2.27 0.00 0.00 64.05 60.76 2q42 n THR 206 Cb 0.53 0.77 -0.13 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.91 2.51 0.72 2.28 -1.09 -1.26 -4.28 121.20 119.17 2q42 s ILE 207 Ca 0.16 -1.28 -0.12 0.00 -2.23 0.00 0.00 60.65 57.18 2q42 s ILE 207 Cb 0.09 -2.03 0.03 0.00 -1.58 0.00 0.00 42.46 38.97 2q42 s ILE 207 CO 0.12 0.35 1.09 -2.16 -1.23 0.00 0.00 174.94 173.10 2q42 s PRO 208 N -1.37 2.60 0.08 2.79 0.04 -1.26 -5.08 135.00 132.80 2q42 s PRO 208 Ca 0.13 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.35 2q42 s PRO 208 Cb -0.10 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.50 2q42 s PRO 208 CO 0.04 -1.38 0.05 -2.37 0.04 0.00 0.00 177.00 173.38 2q42 n THR 209 N -3.09 0.00 -4.33 1.26 5.66 -0.15 -4.84 114.28 108.79 2q42 n THR 209 Ca 0.09 -0.34 -0.17 0.00 -3.05 0.00 0.00 64.05 60.58 2q42 n THR 209 Cb 0.53 -0.32 -0.10 0.00 -1.55 0.00 0.00 70.33 68.89 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 -0.60 1.08 0.21 1.09 -4.23 -1.26 0.92 115.64 112.84 2q42 s THR 210 Ca 0.04 -2.04 -0.09 0.00 -1.18 0.00 0.00 61.69 58.42 2q42 s THR 210 Cb -0.00 -2.33 0.15 0.00 1.34 0.00 0.00 72.50 71.66 2q42 s THR 210 CO 0.02 -0.34 1.79 0.58 -0.54 0.00 0.00 174.62 176.13 2q42 h VAL 211 N 2.47 1.25 0.07 2.29 2.07 -1.39 -0.59 116.25 122.42 2q42 h VAL 211 Ca -0.38 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 2q42 h VAL 211 Cb 1.22 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2q42 h VAL 211 CO 0.65 0.30 -0.03 0.50 0.02 0.00 0.00 177.57 179.01 2q42 h LYS 212 N 1.09 -0.09 -0.34 1.57 3.64 -1.69 -0.53 116.57 120.22 2q42 h LYS 212 Ca 0.26 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2q42 h LYS 212 Cb 0.15 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2q42 h LYS 212 CO -0.03 -0.03 0.07 1.98 -2.27 0.00 0.00 179.45 179.18 2q42 h MET 213 N -0.13 0.50 0.10 1.90 4.05 -1.79 -2.54 114.93 117.02 2q42 h MET 213 Ca -0.01 -0.08 -0.26 0.00 -0.28 0.00 0.00 59.70 59.07 2q42 h MET 213 Cb 0.11 -0.09 0.03 0.00 -0.80 0.00 0.00 31.60 30.85 2q42 h MET 213 CO 0.02 0.47 -1.08 0.93 0.23 0.00 0.00 176.91 177.48 2q42 h GLU 214 N 0.49 0.56 -1.00 0.39 4.39 -0.66 -2.32 114.58 116.42 2q42 h GLU 214 Ca 0.11 -0.73 0.11 0.00 0.34 0.00 0.00 59.36 59.20 2q42 h GLU 214 Cb 0.21 0.24 -0.08 0.00 -0.10 0.00 0.00 28.75 29.02 2q42 h GLU 214 CO -0.00 1.32 0.63 0.87 -1.16 0.00 0.00 179.01 180.67 2q42 h LYS 215 N 0.14 0.98 0.00 2.33 1.57 -1.04 0.54 116.57 121.09 2q42 h LYS 215 Ca -0.16 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.44 2q42 h LYS 215 Cb 1.78 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.85 2q42 h LYS 215 CO 0.21 0.65 -0.55 0.00 -0.57 0.00 0.00 179.45 179.19 2q42 h ALA 216 N 1.53 1.08 0.00 3.86 0.00 -1.39 -3.40 119.26 120.93 2q42 h ALA 216 Ca 0.49 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2q42 h ALA 216 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2q42 h ALA 216 CO -0.26 0.69 -0.91 0.00 0.00 0.00 0.00 179.25 178.77 2q42 s ASN 218 N -2.69 6.81 0.44 0.00 3.84 0.18 -4.87 114.94 118.65 2q42 s ASN 218 Ca 0.00 2.25 0.20 0.00 0.21 0.00 0.00 52.86 55.52 2q42 s ASN 218 Cb 0.00 -2.57 1.03 0.00 -0.55 0.00 0.00 41.25 39.16 2q42 s ASN 218 CO 0.00 -0.70 1.92 1.55 -2.79 0.00 0.00 177.10 177.08 2q42 h PRO 219 N 7.40 0.00 0.00 0.43 0.13 -1.87 -2.64 132.00 135.46 2q42 h PRO 219 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2q42 h PRO 219 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2q42 h PRO 219 CO 0.89 0.25 0.00 0.74 -0.23 0.00 0.00 178.00 179.65 2q42 h PHE 220 N 0.00 0.00 -0.07 1.56 0.04 -1.89 -2.32 116.94 114.26 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 0.54 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 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 -2.47 2.64 -2.02 1.54 4.77 -1.00 -4.29 117.00 116.16 2q42 n LEU 221 Ca 0.03 -0.92 -0.11 0.00 -0.03 0.00 0.00 56.01 54.98 2q42 n LEU 221 Cb 0.36 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.47 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 1.04 2.57 0.00 3.23 1.74 -0.88 -4.89 116.66 119.48 2q42 n ARG 222 Ca 0.16 -3.72 0.06 0.00 -0.77 0.00 0.00 57.85 53.58 2q42 n ARG 222 Cb 0.53 -1.85 0.32 0.00 -1.02 0.00 0.00 32.46 30.45 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 0.00 -0.62 0.55 3.41 -1.21 -1.28 113.62 113.82 2q42 n SER 223 Ca 0.28 -0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.94 2q42 n SER 223 Cb 0.90 -0.22 0.16 0.00 -0.26 0.00 0.00 64.21 64.79 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 -1.22 3.01 -4.75 4.04 3.41 -1.26 -4.78 113.62 112.07 2q42 n SER 224 Ca 0.07 -2.20 -0.41 0.00 -0.26 0.00 0.00 58.87 56.07 2q42 n SER 224 Cb 0.08 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.20 6.98 0.06 4.04 3.84 -0.41 -4.94 114.94 123.32 2q42 s ASN 225 Ca 0.25 2.44 -0.20 0.00 0.21 0.00 0.00 52.86 55.56 2q42 s ASN 225 Cb 0.15 -2.63 -0.08 0.00 -0.55 0.00 0.00 41.25 38.14 2q42 s ASN 225 CO 0.13 -0.40 1.32 0.74 -2.79 0.00 0.00 177.10 176.10 2q42 h THR 226 N 3.31 0.00 -0.64 -5.21 2.02 -1.96 -1.54 112.91 108.90 2q42 h THR 226 Ca -0.47 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.75 2q42 h THR 226 Cb 1.22 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.58 2q42 h THR 226 CO 0.70 0.00 0.38 0.44 0.37 0.00 0.00 175.52 177.41 2q42 h ASP 227 N -0.43 0.61 -0.32 4.18 3.32 -1.93 -0.71 116.42 121.14 2q42 h ASP 227 Ca -0.00 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.08 2q42 h ASP 227 Cb 0.44 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 2q42 h ASP 227 CO -0.18 0.42 0.15 0.40 -1.72 0.00 0.00 179.24 178.32 2q42 h ILE 228 N 0.74 0.98 -0.54 0.35 2.04 -1.68 0.43 117.51 119.83 2q42 h ILE 228 Ca 0.26 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.96 2q42 h ILE 228 Cb 0.06 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2q42 h ILE 228 CO -0.12 0.06 0.13 0.03 0.00 0.00 0.00 178.15 178.25 2q42 h ARG 229 N 0.32 0.83 -0.01 2.37 3.08 -0.69 -2.46 114.38 117.82 2q42 h ARG 229 Ca 0.13 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2q42 h ARG 229 Cb 0.05 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 2q42 h ARG 229 CO -0.10 0.75 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.45 2q42 h ARG 230 N 0.80 0.02 -0.74 0.04 2.43 -0.68 0.33 114.38 116.59 2q42 h ARG 230 Ca 0.18 -0.01 0.21 0.00 -0.81 0.00 0.00 59.98 59.55 2q42 h ARG 230 Cb 0.29 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 2q42 h ARG 230 CO -0.00 0.48 0.53 0.00 -1.51 0.00 0.00 179.97 179.48 2q42 h ALA 231 N 0.54 2.70 -0.17 2.80 0.00 -0.00 0.23 119.26 125.36 2q42 h ALA 231 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2q42 h ALA 231 Cb 0.48 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2q42 h ALA 231 CO 0.00 -0.92 0.00 1.28 0.00 0.00 0.00 179.25 179.62 2q42 n LEU 232 N -4.31 2.64 -3.26 0.00 4.77 -0.94 -4.99 117.00 110.91 2q42 n LEU 232 Ca 0.15 -1.32 -0.23 0.00 -0.03 0.00 0.00 56.01 54.58 2q42 n LEU 232 Cb 0.81 -0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.80 2q42 n LEU 232 CO 0.38 0.55 -0.03 -1.14 -1.33 0.00 0.00 177.39 175.82 2q42 n ARG 233 N 0.91 -3.83 -2.70 3.23 0.63 0.92 -4.93 116.66 110.89 2q42 n ARG 233 Ca 0.12 0.60 -0.41 0.00 -0.92 0.00 0.00 57.85 57.23 2q42 n ARG 233 Cb 0.43 -5.35 -0.04 0.00 0.45 0.00 0.00 32.46 27.95 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 -3.00 4.57 0.36 5.15 1.01 0.27 -4.99 121.20 124.57 2q42 s ILE 234 Ca 0.37 2.02 -0.27 0.00 0.00 0.00 0.00 60.65 62.77 2q42 s ILE 234 Cb -0.19 -4.29 -0.12 0.00 0.01 0.00 0.00 42.46 37.87 2q42 s ILE 234 CO 0.46 0.26 1.22 -2.65 0.00 0.00 0.00 174.94 174.23 2q42 n PRO 235 N 3.18 1.92 0.16 2.79 -0.02 -1.26 -4.70 135.00 137.07 2q42 n PRO 235 Ca 0.04 0.68 0.05 0.00 -2.02 0.00 0.00 63.50 62.25 2q42 n PRO 235 Cb 0.49 -2.25 0.52 0.00 -0.02 0.00 0.00 33.50 32.24 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 2.30 0.19 -0.39 -0.52 5.08 -1.96 -2.84 114.58 116.44 2q42 h GLU 236 Ca -0.45 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 57.83 2q42 h GLU 236 Cb 1.30 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 2q42 h GLU 236 CO 0.61 0.19 0.03 0.00 -1.00 0.00 0.00 179.01 178.84 2q42 h ALA 237 N 1.84 0.53 -1.97 3.43 0.00 -2.03 -3.46 119.26 117.59 2q42 h ALA 237 Ca 0.05 -0.24 -0.61 0.00 0.00 0.00 0.00 54.91 54.11 2q42 h ALA 237 Cb 0.09 -0.15 0.14 0.00 0.00 0.00 0.00 17.79 17.88 2q42 h ALA 237 CO -0.00 0.28 -0.40 0.00 0.00 0.00 0.00 179.25 179.12 2q42 n ALA 238 N -2.39 -1.55 -1.63 0.00 0.00 -1.07 -4.95 120.51 108.92 2q42 n ALA 238 Ca -0.01 0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.48 2q42 n ALA 238 Cb 0.26 -1.77 0.13 0.00 0.00 0.00 0.00 19.45 18.07 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 1.35 0.11 0.10 0.00 5.68 -1.26 -4.83 116.55 117.68 2q42 n ASP 239 Ca 0.12 -1.33 -0.02 0.00 -0.50 0.00 0.00 54.79 53.06 2q42 n ASP 239 Cb 0.39 -0.63 0.23 0.00 -1.14 0.00 0.00 41.12 39.97 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 0.24 -0.10 0.11 5.08 -1.92 -2.03 114.58 115.96 2q42 h GLU 240 Ca -0.27 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 57.95 2q42 h GLU 240 Cb 0.75 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 2q42 h GLU 240 CO 0.19 0.60 -0.06 0.00 -1.00 0.00 0.00 179.01 178.75 2q42 h ALA 241 N 1.39 0.14 -0.92 3.43 0.00 -1.93 -0.55 119.26 120.83 2q42 h ALA 241 Ca 0.02 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.68 2q42 h ALA 241 Cb 0.79 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 2q42 h ALA 241 CO 0.06 -0.08 0.60 0.93 0.00 0.00 0.00 179.25 180.77 2q42 h GLU 242 N -0.16 1.21 -0.17 0.00 5.08 -1.90 -1.52 114.58 117.12 2q42 h GLU 242 Ca 0.02 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2q42 h GLU 242 Cb 0.52 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2q42 h GLU 242 CO 0.02 0.80 0.08 0.00 -1.00 0.00 0.00 179.01 178.91 2q42 h ALA 243 N 1.33 0.22 -0.78 3.43 0.00 -1.34 -2.34 119.26 119.77 2q42 h ALA 243 Ca 0.33 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.26 2q42 h ALA 243 Cb -0.14 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.51 2q42 h ALA 243 CO -0.07 -0.22 0.41 1.25 0.00 0.00 0.00 179.25 180.63 2q42 h LEU 244 N 0.14 0.55 -0.96 0.00 6.46 -0.71 0.43 115.31 121.23 2q42 h LEU 244 Ca 0.06 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.90 2q42 h LEU 244 Cb 0.13 -0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 39.98 2q42 h LEU 244 CO -0.01 0.30 0.63 1.23 -0.62 0.00 0.00 178.44 179.97 2q42 h GLY 245 N 0.68 1.37 0.92 3.75 0.00 -0.90 0.12 103.07 109.01 2q42 h GLY 245 Ca 0.39 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 2q42 h GLY 245 CO -0.28 0.45 -0.21 -2.22 0.00 0.00 0.00 176.54 174.27 2q42 h ILE 246 N 1.25 1.30 -0.82 2.60 2.04 -0.74 -1.86 117.51 121.28 2q42 h ILE 246 Ca 0.37 -1.35 0.04 0.00 1.00 0.00 0.00 64.86 64.92 2q42 h ILE 246 Cb -0.07 1.56 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 2q42 h ILE 246 CO -0.10 0.43 0.52 0.40 0.00 0.00 0.00 178.15 179.40 2q42 h ILE 247 N 0.37 1.09 -0.24 -0.67 2.04 -0.64 0.99 117.51 120.46 2q42 h ILE 247 Ca 0.05 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 2q42 h ILE 247 Cb 0.76 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2q42 h ILE 247 CO 0.06 0.18 -0.00 -0.09 0.00 0.00 0.00 178.15 178.29 2q42 h ARG 248 N 0.99 0.43 -0.14 2.37 9.65 -0.63 -2.04 114.38 125.01 2q42 h ARG 248 Ca 0.34 -0.14 -0.08 0.00 -1.10 0.00 0.00 59.98 59.00 2q42 h ARG 248 Cb 0.07 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 2q42 h ARG 248 CO -0.14 0.61 -0.29 0.87 2.80 0.00 0.00 179.97 183.83 2q42 h LYS 249 N 0.20 0.27 0.00 0.20 1.57 -1.09 -1.80 116.57 115.92 2q42 h LYS 249 Ca 0.07 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2q42 h LYS 249 Cb 0.42 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 2q42 h LYS 249 CO 0.01 0.54 -0.06 0.00 -0.57 0.00 0.00 179.45 179.37 2q42 h ALA 250 N 1.47 1.21 0.00 3.86 0.00 -0.32 -1.19 119.26 124.28 2q42 h ALA 250 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2q42 h ALA 250 Cb 0.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2q42 h ALA 250 CO 0.05 0.08 -0.64 1.17 0.00 0.00 0.00 179.25 179.90 2q42 n LYS 251 N -3.47 0.29 0.07 0.00 4.81 -0.70 -2.63 118.16 116.53 2q42 n LYS 251 Ca -0.02 0.08 0.12 0.00 -0.87 0.00 0.00 58.31 57.63 2q42 n LYS 251 Cb 0.20 -1.68 0.28 0.00 0.02 0.00 0.00 35.03 33.84 2q42 n LYS 251 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2q42 n ASP 252 N -2.10 0.71 -0.37 3.14 8.00 -0.47 -3.87 116.55 121.59 2q42 n ASP 252 Ca 0.03 0.28 0.04 0.00 0.71 0.00 0.00 54.79 55.86 2q42 n ASP 252 Cb 0.44 -0.21 0.05 0.00 -0.02 0.00 0.00 41.12 41.38 2q42 n ASP 252 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2q42 n ASP 253 N -2.12 1.89 0.00 -2.24 2.03 -1.09 -5.13 116.55 109.90 2q42 n ASP 253 Ca 0.04 -1.47 0.09 0.00 0.52 0.00 0.00 54.79 53.97 2q42 n ASP 253 Cb 0.43 -0.03 0.51 0.00 -0.72 0.00 0.00 41.12 41.30 2q42 n ASP 253 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61