#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 4.26 -0.27 2.12 -0.21 0.05 -4.92 119.66 120.70 2q42 s GLN 2 Ca 0.00 0.22 -0.04 0.00 0.02 0.00 0.00 55.36 55.55 2q42 s GLN 2 Cb 0.00 -3.42 0.02 0.00 1.00 0.00 0.00 33.01 30.61 2q42 s GLN 2 CO 0.00 0.23 0.01 0.42 -2.12 0.00 0.00 175.29 173.83 2q42 s ILE 3 N 0.45 3.43 -0.23 1.08 1.01 -1.26 -0.21 121.20 125.48 2q42 s ILE 3 Ca 0.20 -0.83 -0.09 0.00 0.00 0.00 0.00 60.65 59.93 2q42 s ILE 3 Cb -0.14 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 2q42 s ILE 3 CO 0.06 0.16 0.11 -0.70 0.00 0.00 0.00 174.94 174.57 2q42 s GLU 4 N 1.42 3.96 -0.07 2.79 2.12 0.89 -4.95 118.70 124.85 2q42 s GLU 4 Ca 0.02 -0.33 -0.25 0.00 0.36 0.00 0.00 54.97 54.77 2q42 s GLU 4 Cb -0.17 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.79 2q42 s GLU 4 CO -0.01 0.07 0.76 -0.51 -0.54 0.00 0.00 175.26 175.03 2q42 s LEU 5 N 0.98 4.30 -0.26 2.70 1.02 -1.26 -1.19 118.68 124.97 2q42 s LEU 5 Ca 0.06 1.25 0.03 0.00 0.02 0.00 0.00 54.13 55.49 2q42 s LEU 5 Cb -0.14 -3.18 0.06 0.00 0.02 0.00 0.00 46.19 42.96 2q42 s LEU 5 CO 0.03 -0.18 -0.10 -0.69 0.02 0.00 0.00 176.35 175.43 2q42 s VAL 6 N 1.04 2.10 0.29 -1.59 1.01 -0.36 -4.96 120.40 117.93 2q42 s VAL 6 Ca 0.40 -1.59 -0.29 0.00 0.00 0.00 0.00 61.98 60.50 2q42 s VAL 6 Cb -0.18 -2.22 -0.10 0.00 0.00 0.00 0.00 36.38 33.88 2q42 s VAL 6 CO 0.19 -0.03 1.20 -2.84 0.00 0.00 0.00 175.10 173.62 2q42 s PRO 7 N 1.13 4.50 0.07 2.72 0.02 -1.26 -1.26 135.00 140.93 2q42 s PRO 7 Ca -0.09 2.00 0.01 0.00 0.02 0.00 0.00 61.00 62.95 2q42 s PRO 7 Cb -0.20 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.15 2q42 s PRO 7 CO -0.05 0.00 -0.06 0.00 -0.33 0.00 0.00 177.00 176.56 2q42 n LEU 9 N 0.31 0.00 0.07 0.00 4.77 -1.26 -1.37 117.00 119.52 2q42 n LEU 9 Ca -0.15 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.63 2q42 n LEU 9 Cb 0.60 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.54 2q42 n LEU 9 CO 0.28 0.00 -0.45 0.50 -1.33 0.00 0.00 177.39 176.38 2q42 h LYS 10 N 0.00 0.32 0.00 3.23 3.64 -2.02 -3.43 116.57 118.31 2q42 h LYS 10 Ca 0.00 -0.55 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 2q42 h LYS 10 Cb 0.00 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2q42 h LYS 10 CO 0.00 1.21 -0.04 -0.40 -2.27 0.00 0.00 179.45 177.95 2q42 n ASP 11 N -3.52 0.00 -4.87 4.20 5.68 -1.17 -5.04 116.55 111.82 2q42 n ASP 11 Ca -0.21 -1.08 -0.30 0.00 -0.50 0.00 0.00 54.79 52.70 2q42 n ASP 11 Cb 1.06 -0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 41.01 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 -0.08 6.39 -0.09 -1.12 -0.87 -0.47 -0.92 114.94 117.78 2q42 s ASN 12 Ca 0.00 1.25 0.04 0.00 -1.57 0.00 0.00 52.86 52.58 2q42 s ASN 12 Cb 0.00 -2.38 0.00 0.00 -0.02 0.00 0.00 41.25 38.85 2q42 s ASN 12 CO 0.00 -0.62 -0.21 -0.31 -2.57 0.00 0.00 177.10 173.39 2q42 s TYR 13 N -2.75 2.28 0.28 2.20 2.02 0.16 -1.04 117.35 120.50 2q42 s TYR 13 Ca 0.53 -0.88 0.06 0.00 -0.37 0.00 0.00 57.07 56.40 2q42 s TYR 13 Cb -0.10 -1.54 -0.02 0.00 -0.40 0.00 0.00 41.96 39.89 2q42 s TYR 13 CO 0.41 -0.36 0.41 0.00 -1.57 0.00 0.00 175.55 174.44 2q42 s ALA 14 N 0.34 4.05 -0.17 3.71 0.00 -0.38 -4.74 121.76 124.56 2q42 s ALA 14 Ca -0.16 -1.32 -0.01 0.00 0.00 0.00 0.00 51.96 50.47 2q42 s ALA 14 Cb -0.17 -1.72 0.05 0.00 0.00 0.00 0.00 23.12 21.28 2q42 s ALA 14 CO 0.07 0.13 -0.02 0.71 0.00 0.00 0.00 175.76 176.65 2q42 s TYR 15 N -2.06 1.40 -0.20 0.00 2.02 -0.35 -1.22 117.35 116.93 2q42 s TYR 15 Ca 0.38 -0.94 -0.22 0.00 -0.37 0.00 0.00 57.07 55.92 2q42 s TYR 15 Cb -0.09 -1.17 -0.02 0.00 -0.40 0.00 0.00 41.96 40.27 2q42 s TYR 15 CO 0.30 -0.59 0.69 0.42 -1.57 0.00 0.00 175.55 174.80 2q42 s ILE 16 N 1.73 4.97 -0.24 2.71 1.01 -0.34 -0.26 121.20 130.79 2q42 s ILE 16 Ca 0.00 1.31 -0.13 0.00 0.00 0.00 0.00 60.65 61.83 2q42 s ILE 16 Cb -0.16 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 2q42 s ILE 16 CO -0.07 0.07 0.28 -0.76 0.00 0.00 0.00 174.94 174.45 2q42 s LEU 17 N 2.09 4.09 -0.23 2.97 1.43 0.21 -0.08 118.68 129.16 2q42 s LEU 17 Ca 0.31 0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.62 2q42 s LEU 17 Cb -0.16 -2.29 0.01 0.00 0.03 0.00 0.00 46.19 43.78 2q42 s LEU 17 CO 0.10 -0.05 -0.04 -1.00 0.23 0.00 0.00 176.35 175.60 2q42 s HIS 18 N 1.46 3.00 0.37 0.29 3.76 0.70 -1.20 115.29 123.67 2q42 s HIS 18 Ca 0.12 -1.16 -0.26 0.00 -0.15 0.00 0.00 55.06 53.62 2q42 s HIS 18 Cb -0.15 -2.10 -0.09 0.00 1.11 0.00 0.00 32.58 31.35 2q42 s HIS 18 CO 0.08 -0.62 1.13 0.34 -0.85 0.00 0.00 174.74 174.81 2q42 s ASP 19 N 1.43 6.78 -0.18 1.40 2.15 -0.28 -0.77 116.67 127.20 2q42 s ASP 19 Ca 0.04 2.26 0.15 0.00 0.43 0.00 0.00 52.55 55.43 2q42 s ASP 19 Cb -0.15 -2.61 0.75 0.00 -0.30 0.00 0.00 42.92 40.61 2q42 s ASP 19 CO -0.04 -0.49 1.66 -0.62 -0.17 0.00 0.00 175.17 175.52 2q42 n GLU 20 N 0.35 4.29 0.00 4.34 1.02 -1.26 -3.43 120.64 125.95 2q42 n GLU 20 Ca 0.03 -2.92 0.00 0.00 -0.02 0.00 0.00 57.16 54.25 2q42 n GLU 20 Cb 0.47 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 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 0.82 2.36 -0.04 1.62 2.03 -1.26 -4.88 116.55 117.20 2q42 n ASP 21 Ca 0.26 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.59 2q42 n ASP 21 Cb 1.04 0.32 -0.01 0.00 -0.72 0.00 0.00 41.12 41.74 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 -1.04 0.00 -0.95 5.18 -2.24 -1.26 -4.98 114.28 108.99 2q42 n THR 22 Ca 0.00 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 2q42 n THR 22 Cb 0.16 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 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 0.86 0.49 3.73 3.38 0.00 -1.22 -4.97 105.19 107.46 2q42 n GLY 23 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.23 3.22 -0.05 2.61 2.01 -1.26 -4.80 115.64 115.15 2q42 s THR 24 Ca 0.00 0.97 0.05 0.00 0.31 0.00 0.00 61.69 63.01 2q42 s THR 24 Cb 0.00 -3.62 -0.00 0.00 0.01 0.00 0.00 72.50 68.89 2q42 s THR 24 CO 0.00 0.13 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.18 2q42 s VAL 25 N 0.37 1.53 0.24 3.82 1.01 -1.26 -1.12 120.40 124.99 2q42 s VAL 25 Ca 0.59 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.88 2q42 s VAL 25 Cb -0.37 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 2q42 s VAL 25 CO 0.36 0.44 -0.14 -0.83 0.00 0.00 0.00 175.10 174.93 2q42 s GLY 26 N 0.01 1.64 -0.05 4.51 0.00 -0.34 0.32 107.32 113.41 2q42 s GLY 26 Ca -0.04 -1.77 0.02 0.00 0.00 0.00 0.00 44.72 42.93 2q42 s GLY 26 CO 0.02 -1.84 -0.11 0.54 0.00 0.00 0.00 173.10 171.72 2q42 s VAL 27 N -2.84 1.01 -0.23 1.40 0.11 0.11 0.64 120.40 120.61 2q42 s VAL 27 Ca 0.26 -0.44 -0.13 0.00 -2.93 0.00 0.00 61.98 58.74 2q42 s VAL 27 Cb -0.01 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 2q42 s VAL 27 CO 0.10 0.32 0.28 -0.69 -3.33 0.00 0.00 175.10 171.78 2q42 s VAL 28 N 0.49 5.28 -1.09 2.04 1.01 0.64 -0.41 120.40 128.35 2q42 s VAL 28 Ca -0.10 0.44 -0.12 0.00 0.00 0.00 0.00 61.98 62.20 2q42 s VAL 28 Cb -0.13 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2q42 s VAL 28 CO 0.02 0.29 0.87 0.47 0.00 0.00 0.00 175.10 176.75 2q42 n ASP 29 N 4.46 -6.05 -4.56 3.32 8.00 0.89 -1.21 116.55 121.40 2q42 n ASP 29 Ca -0.12 -0.83 -0.34 0.00 0.71 0.00 0.00 54.79 54.21 2q42 n ASP 29 Cb 0.51 -4.47 -0.04 0.00 -0.02 0.00 0.00 41.12 37.11 2q42 n ASP 29 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2q42 s PRO 30 N -5.05 2.85 0.41 -0.24 0.04 -1.19 -4.22 135.00 127.59 2q42 s PRO 30 Ca 0.46 -0.25 0.12 0.00 0.04 0.00 0.00 61.00 61.37 2q42 s PRO 30 Cb -0.10 -4.88 0.95 0.00 0.04 0.00 0.00 34.50 30.51 2q42 s PRO 30 CO 0.79 -2.86 1.95 0.77 0.04 0.00 0.00 177.00 177.68 2q42 h SER 31 N 11.70 0.47 -4.87 6.66 0.02 -1.76 -2.01 113.55 123.75 2q42 h SER 31 Ca -0.00 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 2q42 h SER 31 Cb 1.05 -0.08 -0.20 0.00 0.14 0.00 0.00 62.40 63.30 2q42 h SER 31 CO 1.26 0.27 -0.14 -1.83 -1.14 0.00 0.00 176.83 175.26 2q42 s GLU 32 N -5.49 0.76 0.08 3.45 -1.05 -1.26 -2.94 118.70 112.26 2q42 s GLU 32 Ca -0.08 0.02 -0.16 0.00 -0.15 0.00 0.00 54.97 54.60 2q42 s GLU 32 Cb 0.20 0.35 -0.11 0.00 -0.44 0.00 0.00 34.13 34.13 2q42 s GLU 32 CO 0.76 -0.21 1.39 0.00 0.95 0.00 0.00 175.26 178.15 2q42 h ALA 33 N 3.80 0.36 -0.59 -0.84 0.00 -1.84 -3.38 119.26 116.77 2q42 h ALA 33 Ca -0.29 -0.40 0.10 0.00 0.00 0.00 0.00 54.91 54.32 2q42 h ALA 33 Cb 1.17 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.77 2q42 h ALA 33 CO 0.38 0.37 -0.37 1.49 0.00 0.00 0.00 179.25 181.12 2q42 h GLU 34 N 0.33 -0.18 -0.66 0.00 4.57 -1.98 -1.24 114.58 115.42 2q42 h GLU 34 Ca 0.03 0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.29 2q42 h GLU 34 Cb 0.86 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.45 2q42 h GLU 34 CO 0.07 -0.12 0.44 -1.35 -1.18 0.00 0.00 179.01 176.87 2q42 h PRO 35 N -0.18 0.66 -0.15 0.92 0.11 -1.94 0.22 132.00 131.63 2q42 h PRO 35 Ca 0.22 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.24 2q42 h PRO 35 Cb 0.56 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 2q42 h PRO 35 CO -0.69 0.44 -0.10 0.82 -0.21 0.00 0.00 178.00 178.26 2q42 h ILE 36 N 0.68 1.33 -0.45 4.15 1.08 -1.44 -2.25 117.51 120.60 2q42 h ILE 36 Ca 0.29 -1.20 0.05 0.00 -0.39 0.00 0.00 64.86 63.61 2q42 h ILE 36 Cb 0.25 1.80 -0.05 0.00 -3.07 0.00 0.00 36.82 35.76 2q42 h ILE 36 CO -0.09 0.35 0.19 0.40 -0.69 0.00 0.00 178.15 178.31 2q42 h ILE 37 N -0.03 0.89 -0.46 -0.67 2.04 -0.74 0.12 117.51 118.66 2q42 h ILE 37 Ca 0.03 -0.13 0.08 0.00 1.00 0.00 0.00 64.86 65.84 2q42 h ILE 37 Cb 0.60 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 2q42 h ILE 37 CO 0.03 0.07 0.09 0.44 0.00 0.00 0.00 178.15 178.78 2q42 h ASP 38 N 0.38 -0.00 -0.48 1.72 3.32 -0.44 0.12 116.42 121.03 2q42 h ASP 38 Ca 0.21 0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.24 2q42 h ASP 38 Cb 0.18 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2q42 h ASP 38 CO -0.19 0.03 -0.08 -1.28 -1.72 0.00 0.00 179.24 176.00 2q42 h SER 39 N 0.22 0.90 -0.18 6.45 0.87 -0.89 -1.21 113.55 119.71 2q42 h SER 39 Ca 0.23 -0.35 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 2q42 h SER 39 Cb 0.30 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2q42 h SER 39 CO -0.30 1.03 0.05 -0.07 -0.53 0.00 0.00 176.83 177.01 2q42 h LEU 40 N 0.75 0.27 -0.96 2.23 3.38 -0.07 -0.95 115.31 119.95 2q42 h LEU 40 Ca 0.13 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 2q42 h LEU 40 Cb 0.62 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2q42 h LEU 40 CO 0.04 0.41 0.08 0.11 0.09 0.00 0.00 178.44 179.16 2q42 h LYS 41 N 0.11 0.83 0.30 1.13 1.79 -0.82 1.00 116.57 120.92 2q42 h LYS 41 Ca 0.06 -0.20 -0.00 0.00 -2.18 0.00 0.00 60.65 58.33 2q42 h LYS 41 Cb 0.24 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 2q42 h LYS 41 CO -0.00 0.79 -0.28 -0.09 -1.08 0.00 0.00 179.45 178.79 2q42 h ARG 42 N 0.79 -0.58 -0.08 3.15 2.43 -0.95 -0.52 114.38 118.62 2q42 h ARG 42 Ca 0.17 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2q42 h ARG 42 Cb 0.37 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2q42 h ARG 42 CO 0.01 -0.39 0.00 -1.13 -1.51 0.00 0.00 179.97 176.95 2q42 n SER 43 N -5.40 0.90 -3.74 -3.80 3.41 -0.39 -4.93 113.62 99.67 2q42 n SER 43 Ca -0.09 -1.55 -0.25 0.00 -0.26 0.00 0.00 58.87 56.72 2q42 n SER 43 Cb 0.31 -0.05 0.02 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.98 -0.49 3.35 5.00 0.00 0.31 -5.00 105.19 109.35 2q42 n GLY 44 Ca 0.16 0.24 -0.23 0.00 0.00 0.00 0.00 46.02 46.19 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 -6.05 1.32 0.26 1.61 0.52 0.54 -4.99 118.95 112.15 2q42 s ARG 45 Ca 0.14 -1.43 -0.10 0.00 -0.52 0.00 0.00 55.73 53.83 2q42 s ARG 45 Cb -0.05 -1.41 -0.07 0.00 0.52 0.00 0.00 34.95 33.94 2q42 s ARG 45 CO 0.84 0.29 0.59 1.21 0.02 0.00 0.00 175.30 178.25 2q42 s ASN 46 N -2.68 6.62 -0.24 0.23 3.04 -1.26 -4.55 114.94 116.10 2q42 s ASN 46 Ca 0.17 0.96 -0.13 0.00 0.04 0.00 0.00 52.86 53.89 2q42 s ASN 46 Cb -0.06 -2.24 -0.04 0.00 -1.54 0.00 0.00 41.25 37.37 2q42 s ASN 46 CO 0.07 -0.12 0.29 -0.22 -3.04 0.00 0.00 177.10 174.08 2q42 s LEU 47 N -2.97 4.09 -0.19 3.21 2.96 -1.26 -4.23 118.68 120.29 2q42 s LEU 47 Ca 0.48 0.26 -0.19 0.00 -0.22 0.00 0.00 54.13 54.45 2q42 s LEU 47 Cb -0.11 -2.30 -0.20 0.00 0.50 0.00 0.00 46.19 44.07 2q42 s LEU 47 CO 0.22 -0.05 0.25 0.74 -1.32 0.00 0.00 176.35 176.18 2q42 h THR 48 N 5.16 0.87 -3.91 3.68 2.02 -0.51 -3.38 112.91 116.85 2q42 h THR 48 Ca -0.35 -2.21 -0.37 0.00 0.77 0.00 0.00 66.41 64.25 2q42 h THR 48 Cb 1.17 2.27 -0.21 0.00 -1.74 0.00 0.00 68.15 69.64 2q42 h THR 48 CO 0.66 0.41 -0.76 -0.31 0.37 0.00 0.00 175.52 175.89 2q42 s TYR 49 N -2.40 1.08 0.05 3.16 2.02 -0.83 -1.04 117.35 119.38 2q42 s TYR 49 Ca -0.28 -0.50 0.08 0.00 -0.37 0.00 0.00 57.07 56.01 2q42 s TYR 49 Cb 0.06 -0.61 -0.03 0.00 -0.40 0.00 0.00 41.96 40.98 2q42 s TYR 49 CO 0.62 0.02 -0.22 0.42 -1.57 0.00 0.00 175.55 174.83 2q42 s ILE 50 N -1.49 2.51 -0.00 2.71 1.01 -0.25 -0.71 121.20 124.98 2q42 s ILE 50 Ca -0.02 -1.29 0.03 0.00 0.00 0.00 0.00 60.65 59.37 2q42 s ILE 50 Cb -0.09 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 2q42 s ILE 50 CO 0.02 0.34 -0.09 -0.76 0.00 0.00 0.00 174.94 174.44 2q42 s LEU 51 N -1.38 2.03 -0.12 2.97 1.43 0.45 -0.48 118.68 123.58 2q42 s LEU 51 Ca 0.13 -0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 53.05 2q42 s LEU 51 Cb -0.10 -0.47 0.02 0.00 0.03 0.00 0.00 46.19 45.67 2q42 s LEU 51 CO 0.04 0.10 -0.08 0.20 0.23 0.00 0.00 176.35 176.84 2q42 s ASN 52 N -0.28 2.23 0.26 2.29 0.02 -0.94 -0.08 114.94 118.45 2q42 s ASN 52 Ca 0.03 -0.32 0.09 0.00 -1.02 0.00 0.00 52.86 51.64 2q42 s ASN 52 Cb -0.04 -0.88 0.31 0.00 0.02 0.00 0.00 41.25 40.67 2q42 s ASN 52 CO -0.00 -0.11 1.59 0.71 0.02 0.00 0.00 177.10 179.30 2q42 h THR 53 N 6.16 1.44 -2.53 1.60 1.35 -1.90 -3.40 112.91 115.64 2q42 h THR 53 Ca -0.31 -2.14 0.14 0.00 -0.55 0.00 0.00 66.41 63.56 2q42 h THR 53 Cb 1.13 2.14 -0.05 0.00 -1.73 0.00 0.00 68.15 69.64 2q42 h THR 53 CO 0.42 0.61 0.49 -1.38 -0.25 0.00 0.00 175.52 175.41 2q42 s HIS 54 N -3.61 -0.02 -0.89 4.73 -3.43 -1.26 -0.65 115.29 110.17 2q42 s HIS 54 Ca -0.02 -0.39 0.26 0.00 -0.80 0.00 0.00 55.06 54.12 2q42 s HIS 54 Cb 0.12 0.70 0.70 0.00 -1.43 0.00 0.00 32.58 32.67 2q42 s HIS 54 CO 0.77 -0.98 1.57 -2.39 -2.00 0.00 0.00 174.74 171.71 2q42 n HIS 55 N -0.57 0.23 -1.74 0.38 -0.00 -1.26 -4.62 115.22 107.64 2q42 n HIS 55 Ca -0.05 0.07 -0.42 0.00 -0.00 0.00 0.00 57.72 57.32 2q42 n HIS 55 Cb 0.60 -0.49 -0.01 0.00 -0.00 0.00 0.00 29.99 30.09 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 -1.73 2.76 -0.37 -1.40 8.25 -1.26 -4.70 115.22 116.77 2q42 n HIS 56 Ca 0.05 0.32 0.27 0.00 -0.26 0.00 0.00 57.72 58.11 2q42 n HIS 56 Cb 0.37 -2.56 0.54 0.00 1.12 0.00 0.00 29.99 29.47 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 4.29 0.69 0.00 4.41 3.20 -1.95 0.35 116.97 127.95 2q42 h TYR 57 Ca -0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.42 2q42 h TYR 57 Cb 1.24 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 39.32 2q42 h TYR 57 CO 0.57 -0.08 0.00 -0.40 -1.64 0.00 0.00 178.16 176.61 2q42 n ASP 58 N -4.75 0.00 -0.00 -2.11 5.75 -1.26 -0.92 116.55 113.25 2q42 n ASP 58 Ca 0.31 -0.58 0.00 0.00 -0.01 0.00 0.00 54.79 54.51 2q42 n ASP 58 Cb 1.08 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 41.17 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 -0.95 0.00 0.00 2.11 8.25 0.12 -4.07 115.22 120.68 2q42 n HIS 59 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 2q42 n HIS 59 Cb 0.05 -0.00 0.01 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 -1.18 0.60 0.00 1.59 -2.24 -1.09 -3.20 114.28 108.75 2q42 n THR 60 Ca 0.00 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 2q42 n THR 60 Cb 0.00 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 2q42 n THR 60 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2q42 n GLY 61 N -0.25 -0.85 0.69 3.38 0.00 -0.10 -2.25 105.19 105.81 2q42 n GLY 61 Ca 0.01 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2q42 n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q42 n GLY 62 N -0.24 1.12 0.37 -0.02 0.00 -0.77 -4.25 105.19 101.41 2q42 n GLY 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.46 1.05 1.08 1.61 4.21 -1.62 -1.97 115.58 120.40 2q42 h ASN 63 Ca 0.00 -0.02 -0.16 0.00 1.21 0.00 0.00 56.30 57.34 2q42 h ASN 63 Cb 0.46 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.39 2q42 h ASN 63 CO 0.00 0.73 -0.97 -0.07 -1.29 0.00 0.00 177.43 175.83 2q42 h LEU 64 N 1.22 0.00 0.02 1.61 3.38 -1.82 -3.02 115.31 116.70 2q42 h LEU 64 Ca 0.37 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.15 2q42 h LEU 64 Cb -0.04 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.73 2q42 h LEU 64 CO -0.10 0.64 -0.73 -0.08 0.09 0.00 0.00 178.44 178.26 2q42 h GLU 65 N 0.00 0.45 -0.51 1.13 4.81 -1.85 -1.36 114.58 117.26 2q42 h GLU 65 Ca -0.08 -0.52 -0.03 0.00 -0.13 0.00 0.00 59.36 58.60 2q42 h GLU 65 Cb 1.56 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 31.07 2q42 h GLU 65 CO 0.07 1.17 0.18 -0.07 -0.73 0.00 0.00 179.01 179.63 2q42 h LEU 66 N -0.04 0.72 -0.20 1.64 3.38 -1.49 0.87 115.31 120.19 2q42 h LEU 66 Ca -0.10 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2q42 h LEU 66 Cb 1.44 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2q42 h LEU 66 CO 0.14 0.71 0.11 0.50 0.09 0.00 0.00 178.44 179.99 2q42 h LYS 67 N 0.69 0.28 -0.66 1.13 3.64 -1.56 -0.17 116.57 119.93 2q42 h LYS 67 Ca 0.17 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2q42 h LYS 67 Cb 0.23 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 2q42 h LYS 67 CO -0.01 0.28 0.43 0.22 -2.27 0.00 0.00 179.45 178.10 2q42 h ASP 68 N 0.22 0.75 1.05 4.20 -0.00 -1.08 0.31 116.42 121.86 2q42 h ASP 68 Ca 0.07 -0.02 -0.09 0.00 -0.00 0.00 0.00 57.03 56.99 2q42 h ASP 68 Cb 0.08 -0.19 -0.01 0.00 -0.00 0.00 0.00 39.33 39.21 2q42 h ASP 68 CO -0.01 0.54 -0.45 -0.09 -0.00 0.00 0.00 179.24 179.23 2q42 h ARG 69 N 0.88 0.00 0.00 0.28 2.43 -0.55 -3.36 114.38 114.07 2q42 h ARG 69 Ca 0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2q42 h ARG 69 Cb -0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 2q42 h ARG 69 CO -0.06 0.45 -1.08 0.66 -1.51 0.00 0.00 179.97 178.43 2q42 n TYR 70 N -3.43 0.00 -1.24 2.20 4.01 -0.10 -5.00 117.16 113.60 2q42 n TYR 70 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.70 2q42 n TYR 70 Cb 0.60 -0.11 -0.02 0.00 -0.31 0.00 0.00 39.34 39.50 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 1.95 0.64 3.74 2.72 0.00 0.11 -4.82 105.19 109.52 2q42 n GLY 71 Ca -0.01 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.16 1.99 -0.18 4.61 0.00 -1.21 -5.00 121.76 119.80 2q42 s ALA 72 Ca 0.00 0.38 -0.08 0.00 0.00 0.00 0.00 51.96 52.26 2q42 s ALA 72 Cb 0.00 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2q42 s ALA 72 CO 0.00 -2.11 0.07 0.15 0.00 0.00 0.00 175.76 173.87 2q42 s LYS 73 N -4.82 3.98 -0.25 0.00 -0.14 -0.21 -4.79 119.74 113.50 2q42 s LYS 73 Ca 0.63 -0.32 -0.15 0.00 -1.36 0.00 0.00 55.97 54.78 2q42 s LYS 73 Cb -0.19 -3.23 -0.04 0.00 -1.68 0.00 0.00 37.83 32.69 2q42 s LYS 73 CO 0.57 0.30 0.35 0.08 -0.76 0.00 0.00 175.35 175.89 2q42 s VAL 74 N 0.30 5.20 -0.14 3.17 1.01 -1.26 -1.09 120.40 127.59 2q42 s VAL 74 Ca 0.04 0.55 -0.04 0.00 0.00 0.00 0.00 61.98 62.53 2q42 s VAL 74 Cb -0.12 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 2q42 s VAL 74 CO -0.00 0.20 -0.01 -0.63 0.00 0.00 0.00 175.10 174.66 2q42 s ILE 75 N 1.78 4.18 0.07 2.22 -1.09 0.37 0.28 121.20 129.01 2q42 s ILE 75 Ca 0.15 -0.27 -0.03 0.00 -2.23 0.00 0.00 60.65 58.27 2q42 s ILE 75 Cb -0.15 -2.81 0.01 0.00 -1.58 0.00 0.00 42.46 37.92 2q42 s ILE 75 CO 0.09 0.53 0.14 0.61 -1.23 0.00 0.00 174.94 175.08 2q42 n GLY 76 N 3.05 1.92 3.69 6.18 0.00 0.28 -2.21 105.19 118.10 2q42 n GLY 76 Ca -0.18 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 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 -1.39 7.21 0.28 1.61 0.15 -1.26 -0.45 113.70 119.86 2q42 s SER 77 Ca 0.03 1.49 -0.02 0.00 0.70 0.00 0.00 55.95 58.15 2q42 s SER 77 Cb -0.01 -2.54 0.42 0.00 -1.71 0.00 0.00 66.02 62.18 2q42 s SER 77 CO 0.02 -0.41 1.92 0.00 1.20 0.00 0.00 173.24 175.98 2q42 h ALA 78 N 7.08 1.41 0.00 5.45 0.00 -1.25 0.15 119.26 132.10 2q42 h ALA 78 Ca -0.32 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2q42 h ALA 78 Cb 1.16 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2q42 h ALA 78 CO 0.84 0.48 0.04 0.52 0.00 0.00 0.00 179.25 181.13 2q42 h MET 79 N 1.16 0.00 -0.04 0.00 2.86 -1.90 -1.73 114.93 115.28 2q42 h MET 79 Ca 0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 2q42 h MET 79 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2q42 h MET 79 CO -0.12 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.60 2q42 n ASP 80 N -2.79 1.95 -0.33 1.22 8.00 0.35 -4.82 116.55 120.14 2q42 n ASP 80 Ca -0.02 -1.84 0.26 0.00 0.71 0.00 0.00 54.79 53.89 2q42 n ASP 80 Cb 0.09 -0.03 0.49 0.00 -0.02 0.00 0.00 41.12 41.66 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 0.27 0.13 0.00 -1.24 3.64 -0.12 1.21 116.57 120.45 2q42 h LYS 81 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2q42 h LYS 81 Cb 0.45 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2q42 h LYS 81 CO 0.00 0.08 0.00 -0.25 -2.27 0.00 0.00 179.45 177.01 2q42 n ASP 82 N -5.21 0.35 -0.00 4.20 8.00 -1.26 -3.17 116.55 119.46 2q42 n ASP 82 Ca 0.33 0.58 0.04 0.00 0.71 0.00 0.00 54.79 56.45 2q42 n ASP 82 Cb 1.07 -0.66 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 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 -1.88 3.71 -3.11 -1.24 1.74 0.41 -4.90 116.66 111.39 2q42 n ARG 83 Ca 0.03 -0.01 -0.44 0.00 -0.77 0.00 0.00 57.85 56.67 2q42 n ARG 83 Cb 0.22 -0.96 -0.05 0.00 -1.02 0.00 0.00 32.46 30.65 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 -1.93 4.80 0.08 0.55 -1.09 -0.99 -4.85 121.20 117.78 2q42 s ILE 84 Ca 0.03 -0.60 -0.37 0.00 -2.23 0.00 0.00 60.65 57.48 2q42 s ILE 84 Cb 0.07 -4.39 -0.17 0.00 -1.58 0.00 0.00 42.46 36.38 2q42 s ILE 84 CO 0.38 -0.96 1.28 -2.65 -1.23 0.00 0.00 174.94 171.76 2q42 n PRO 85 N 6.38 0.98 -1.34 2.79 -0.02 -1.26 -2.17 135.00 140.36 2q42 n PRO 85 Ca -0.07 0.35 -0.12 0.00 -2.02 0.00 0.00 63.50 61.65 2q42 n PRO 85 Cb 0.45 -1.96 -0.05 0.00 -0.02 0.00 0.00 33.50 31.91 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 2.33 1.14 3.67 -1.23 0.00 -1.26 -4.90 105.19 104.95 2q42 n GLY 86 Ca 0.18 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.20 0.31 -0.13 -0.61 3.06 -0.92 -4.47 119.36 114.41 2q42 n ILE 87 Ca -0.12 -0.06 -0.18 0.00 -2.50 0.00 0.00 62.75 59.90 2q42 n ILE 87 Cb 0.60 -1.61 -0.12 0.00 0.54 0.00 0.00 39.64 39.05 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 5.09 1.95 -4.09 9.51 8.00 0.14 -4.91 116.55 132.24 2q42 n ASP 88 Ca 0.21 -0.14 -0.32 0.00 0.71 0.00 0.00 54.79 55.25 2q42 n ASP 88 Cb 0.27 -0.37 -0.16 0.00 -0.02 0.00 0.00 41.12 40.84 2q42 n ASP 88 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2q42 s MET 89 N -2.51 2.78 -0.48 -1.24 -1.94 -0.93 -5.03 119.30 109.94 2q42 s MET 89 Ca -0.34 -0.79 -0.11 0.00 -1.71 0.00 0.00 55.69 52.74 2q42 s MET 89 Cb 0.09 -2.47 0.12 0.00 2.01 0.00 0.00 34.83 34.57 2q42 s MET 89 CO 0.60 -0.24 0.38 0.00 -0.01 0.00 0.00 175.02 175.76 2q42 s ALA 90 N 1.33 3.46 0.17 3.03 0.00 -1.26 -0.56 121.76 127.93 2q42 s ALA 90 Ca 0.04 -2.47 -0.07 0.00 0.00 0.00 0.00 51.96 49.46 2q42 s ALA 90 Cb -0.13 -2.94 -0.06 0.00 0.00 0.00 0.00 23.12 19.98 2q42 s ALA 90 CO -0.12 -1.90 0.44 -0.51 0.00 0.00 0.00 175.76 173.68 2q42 s LEU 91 N 1.45 4.24 0.43 0.00 1.43 0.41 -4.18 118.68 122.46 2q42 s LEU 91 Ca 0.05 0.74 0.07 0.00 -1.03 0.00 0.00 54.13 53.95 2q42 s LEU 91 Cb -0.27 -3.41 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 2q42 s LEU 91 CO 0.01 0.02 0.16 -0.54 0.23 0.00 0.00 176.35 176.24 2q42 s LYS 92 N -2.62 2.19 0.22 1.70 3.01 -1.26 -1.03 119.74 121.95 2q42 s LYS 92 Ca 0.42 -1.94 -0.32 0.00 -1.01 0.00 0.00 55.97 53.12 2q42 s LYS 92 Cb -0.12 -1.91 -0.14 0.00 -1.01 0.00 0.00 37.83 34.65 2q42 s LYS 92 CO 0.23 -0.18 1.40 -3.47 0.51 0.00 0.00 175.35 173.83 2q42 n ASP 93 N -1.26 2.60 0.00 2.83 2.03 -1.26 -1.08 116.55 120.41 2q42 n ASP 93 Ca -0.03 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.41 2q42 n ASP 93 Cb 0.65 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 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 2.28 2.57 3.75 0.27 0.00 -0.25 -4.97 105.19 108.84 2q42 n GLY 94 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.75 5.15 -0.10 1.61 1.11 -0.24 -4.74 116.67 115.72 2q42 s ASP 95 Ca 0.00 2.62 -0.00 0.00 0.18 0.00 0.00 52.55 55.34 2q42 s ASP 95 Cb 0.00 -2.62 -0.03 0.00 1.07 0.00 0.00 42.92 41.34 2q42 s ASP 95 CO 0.00 -1.64 -0.09 -0.75 1.18 0.00 0.00 175.17 173.88 2q42 s LYS 96 N -3.09 3.09 0.00 8.23 2.20 -1.26 -0.93 119.74 127.98 2q42 s LYS 96 Ca 0.75 -0.59 0.03 0.00 -0.36 0.00 0.00 55.97 55.79 2q42 s LYS 96 Cb -0.37 -2.65 -0.01 0.00 -1.51 0.00 0.00 37.83 33.29 2q42 s LYS 96 CO 0.42 0.45 -0.08 -0.46 -0.36 0.00 0.00 175.35 175.31 2q42 s TRP 97 N -0.25 0.74 -0.22 4.03 -0.00 0.14 -4.96 118.94 118.43 2q42 s TRP 97 Ca 0.03 -0.19 -0.08 0.00 -0.00 0.00 0.00 56.10 55.86 2q42 s TRP 97 Cb -0.13 -0.47 -0.04 0.00 -0.00 0.00 0.00 33.47 32.83 2q42 s TRP 97 CO 0.03 -0.01 0.08 -1.64 -0.00 0.00 0.00 176.95 175.41 2q42 s MET 98 N -0.41 3.88 -0.68 5.86 -1.94 -1.26 0.33 119.30 125.08 2q42 s MET 98 Ca 0.02 -0.38 -0.14 0.00 -1.71 0.00 0.00 55.69 53.48 2q42 s MET 98 Cb -0.04 -3.31 0.17 0.00 2.01 0.00 0.00 34.83 33.66 2q42 s MET 98 CO -0.00 0.07 0.62 0.12 -0.01 0.00 0.00 175.02 175.82 2q42 s PHE 99 N 0.94 3.52 -1.38 -0.03 5.36 0.14 -4.57 117.98 121.96 2q42 s PHE 99 Ca 0.04 -1.74 -0.00 0.00 -0.96 0.00 0.00 56.93 54.28 2q42 s PHE 99 Cb -0.14 -3.77 -0.00 0.00 -0.34 0.00 0.00 43.02 38.78 2q42 s PHE 99 CO 0.03 -1.00 0.49 0.00 -1.46 0.00 0.00 175.22 173.28 2q42 n ALA 100 N 4.52 -2.02 -0.60 11.12 0.00 -1.26 -0.58 120.51 131.69 2q42 n ALA 100 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2q42 n ALA 100 Cb 0.43 -1.61 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.88 1.56 3.50 0.00 0.00 -1.26 -4.98 105.19 102.13 2q42 n GLY 101 Ca -0.31 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.51 3.15 0.03 1.61 4.02 0.26 -5.07 115.29 115.78 2q42 s HIS 102 Ca 0.00 -0.22 -0.30 0.00 1.02 0.00 0.00 55.06 55.55 2q42 s HIS 102 Cb 0.00 -2.31 -0.05 0.00 -1.02 0.00 0.00 32.58 29.20 2q42 s HIS 102 CO 0.00 -0.29 1.23 -1.21 1.02 0.00 0.00 174.74 175.49 2q42 s GLU 103 N 1.67 4.39 -0.15 1.40 2.02 -1.26 0.24 118.70 127.01 2q42 s GLU 103 Ca 0.06 1.78 -0.02 0.00 0.02 0.00 0.00 54.97 56.82 2q42 s GLU 103 Cb -0.16 -3.43 -0.02 0.00 0.10 0.00 0.00 34.13 30.63 2q42 s GLU 103 CO 0.07 -0.36 -0.08 0.08 0.02 0.00 0.00 175.26 175.00 2q42 s VAL 104 N 1.54 3.49 -0.29 2.63 1.01 0.15 -4.19 120.40 124.75 2q42 s VAL 104 Ca 0.59 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 2q42 s VAL 104 Cb -0.29 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.61 2q42 s VAL 104 CO 0.27 0.50 0.03 -1.00 0.00 0.00 0.00 175.10 174.90 2q42 s HIS 105 N 0.42 3.17 -0.01 5.22 3.76 -0.23 -0.69 115.29 126.93 2q42 s HIS 105 Ca -0.07 -1.42 -0.30 0.00 -0.15 0.00 0.00 55.06 53.12 2q42 s HIS 105 Cb -0.15 -2.17 -0.04 0.00 1.11 0.00 0.00 32.58 31.33 2q42 s HIS 105 CO 0.04 -0.70 1.10 0.08 -0.85 0.00 0.00 174.74 174.41 2q42 s VAL 106 N 1.38 4.46 -0.08 -0.90 1.01 -0.10 -1.88 120.40 124.27 2q42 s VAL 106 Ca -0.01 1.76 0.01 0.00 0.00 0.00 0.00 61.98 63.74 2q42 s VAL 106 Cb -0.18 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 2q42 s VAL 106 CO -0.00 0.09 -0.09 -0.04 0.00 0.00 0.00 175.10 175.06 2q42 s MET 107 N 1.41 2.91 -0.28 2.72 -1.94 -0.48 -1.09 119.30 122.56 2q42 s MET 107 Ca 0.54 -0.60 -0.26 0.00 -1.71 0.00 0.00 55.69 53.66 2q42 s MET 107 Cb -0.24 -2.58 0.01 0.00 2.01 0.00 0.00 34.83 34.02 2q42 s MET 107 CO 0.26 0.52 0.93 0.34 -0.01 0.00 0.00 175.02 177.06 2q42 s ASP 108 N -0.44 6.87 -0.48 3.03 -1.08 -1.26 -2.02 116.67 121.29 2q42 s ASP 108 Ca 0.06 1.02 0.08 0.00 -0.52 0.00 0.00 52.55 53.19 2q42 s ASP 108 Cb -0.12 -2.48 0.35 0.00 -1.46 0.00 0.00 42.92 39.21 2q42 s ASP 108 CO 0.02 -0.67 0.86 0.35 0.52 0.00 0.00 175.17 176.26 2q42 n THR 109 N 5.50 1.61 -1.01 1.71 -2.24 -0.85 -4.90 114.28 114.09 2q42 n THR 109 Ca 0.08 -5.04 -0.32 0.00 -2.27 0.00 0.00 64.05 56.49 2q42 n THR 109 Cb 0.47 -0.84 0.13 0.00 -2.10 0.00 0.00 70.33 68.00 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 -3.03 1.51 0.00 -0.78 0.04 -1.24 -4.59 135.00 126.92 2q42 s PRO 110 Ca 0.44 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2q42 s PRO 110 Cb 0.32 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 33.09 2q42 s PRO 110 CO -0.11 -2.28 0.00 0.41 0.04 0.00 0.00 177.00 175.06 2q42 n GLY 111 N 0.21 0.61 0.30 0.56 0.00 -1.26 -3.88 105.19 101.72 2q42 n GLY 111 Ca 0.12 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.64 -0.52 1.61 -0.00 -1.81 -2.59 115.15 111.20 2q42 h HIS 112 Ca 0.00 -0.02 -0.66 0.00 -0.00 0.00 0.00 60.37 59.70 2q42 h HIS 112 Cb 0.00 0.21 -0.11 0.00 -0.00 0.00 0.00 27.41 27.51 2q42 h HIS 112 CO 0.00 -0.40 -0.48 0.95 -0.00 0.00 0.00 177.93 178.00 2q42 s THR 113 N -3.81 1.34 -0.54 6.26 -4.23 -1.26 -1.39 115.64 112.01 2q42 s THR 113 Ca -0.10 -1.90 -0.09 0.00 -1.18 0.00 0.00 61.69 58.42 2q42 s THR 113 Cb 0.01 -2.24 0.14 0.00 1.34 0.00 0.00 72.50 71.75 2q42 s THR 113 CO 0.30 0.00 0.42 -0.75 -0.54 0.00 0.00 174.62 174.06 2q42 s LYS 114 N -3.94 2.67 0.00 3.99 2.20 -1.26 -3.91 119.74 119.48 2q42 s LYS 114 Ca 0.14 -1.96 0.00 0.00 -0.36 0.00 0.00 55.97 53.79 2q42 s LYS 114 Cb 0.01 -3.99 0.00 0.00 -1.51 0.00 0.00 37.83 32.34 2q42 s LYS 114 CO 0.08 -1.21 0.00 0.41 -0.36 0.00 0.00 175.35 174.26 2q42 n GLY 115 N 4.61 -0.15 3.74 5.54 0.00 -1.26 -4.87 105.19 112.80 2q42 n GLY 115 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.12 3.24 0.24 1.61 2.46 -1.25 -4.67 115.29 116.80 2q42 s HIS 116 Ca 0.00 1.25 0.09 0.00 0.47 0.00 0.00 55.06 56.87 2q42 s HIS 116 Cb 0.00 -3.61 -0.05 0.00 -0.13 0.00 0.00 32.58 28.79 2q42 s HIS 116 CO 0.00 -1.86 -0.15 0.96 -2.47 0.00 0.00 174.74 171.22 2q42 s ILE 117 N -0.05 2.00 0.19 0.89 -4.36 0.17 -2.01 121.20 118.04 2q42 s ILE 117 Ca 0.56 -2.27 0.11 0.00 -0.26 0.00 0.00 60.65 58.78 2q42 s ILE 117 Cb -0.37 -2.18 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 2q42 s ILE 117 CO 0.40 -0.49 -0.23 -0.44 0.24 0.00 0.00 174.94 174.41 2q42 s SER 118 N -3.40 3.32 -0.20 4.36 0.01 -0.86 -4.62 113.70 112.32 2q42 s SER 118 Ca 0.26 -0.88 0.01 0.00 1.31 0.00 0.00 55.95 56.65 2q42 s SER 118 Cb -0.02 -0.24 0.04 0.00 0.21 0.00 0.00 66.02 66.01 2q42 s SER 118 CO 0.10 0.09 -0.12 -0.76 0.41 0.00 0.00 173.24 172.97 2q42 s LEU 119 N -2.71 2.33 -0.22 2.44 1.43 -0.19 -1.38 118.68 120.37 2q42 s LEU 119 Ca 0.20 -0.88 -0.09 0.00 -1.03 0.00 0.00 54.13 52.33 2q42 s LEU 119 Cb -0.07 -1.28 -0.05 0.00 0.03 0.00 0.00 46.19 44.82 2q42 s LEU 119 CO 0.10 -0.13 0.13 -0.47 0.23 0.00 0.00 176.35 176.20 2q42 s TYR 120 N 1.37 3.29 -0.76 0.29 5.04 -0.79 -1.26 117.35 124.53 2q42 s TYR 120 Ca -0.01 0.14 -0.05 0.00 -2.44 0.00 0.00 57.07 54.72 2q42 s TYR 120 Cb -0.16 -2.21 0.19 0.00 0.35 0.00 0.00 41.96 40.13 2q42 s TYR 120 CO -0.09 0.07 0.63 -0.06 -1.34 0.00 0.00 175.55 174.76 2q42 s PHE 121 N 0.87 3.64 0.44 4.97 0.08 0.15 -1.07 117.98 127.06 2q42 s PHE 121 Ca 0.06 -2.69 0.17 0.00 0.12 0.00 0.00 56.93 54.59 2q42 s PHE 121 Cb -0.13 -3.34 1.10 0.00 -0.57 0.00 0.00 43.02 40.08 2q42 s PHE 121 CO 0.03 -0.84 1.91 -1.00 -0.10 0.00 0.00 175.22 175.22 2q42 h PRO 122 N 6.82 0.36 0.00 0.24 0.13 -1.80 0.43 132.00 138.18 2q42 h PRO 122 Ca 0.07 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.14 2q42 h PRO 122 Cb 0.92 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 2q42 h PRO 122 CO 0.77 0.24 -0.17 0.78 -0.23 0.00 0.00 178.00 179.39 2q42 h GLY 123 N 0.37 0.00 -1.81 1.56 0.00 -1.92 -2.05 103.07 99.21 2q42 h GLY 123 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 2q42 h GLY 123 CO -0.12 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.86 2q42 n SER 124 N -4.16 3.40 -4.24 0.19 7.64 0.06 -4.96 113.62 111.56 2q42 n SER 124 Ca -0.02 -2.09 -0.33 0.00 1.01 0.00 0.00 58.87 57.43 2q42 n SER 124 Cb 0.24 -0.35 -0.05 0.00 -1.01 0.00 0.00 64.21 63.04 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 0.81 -2.20 -4.77 1.43 1.74 -0.72 -4.89 116.66 108.07 2q42 n ARG 125 Ca 0.17 0.27 -0.24 0.00 -0.77 0.00 0.00 57.85 57.27 2q42 n ARG 125 Cb 0.54 -4.50 -0.15 0.00 -1.02 0.00 0.00 32.46 27.33 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 -3.74 1.37 -0.04 7.54 0.00 -1.03 -1.33 121.76 124.54 2q42 s ALA 126 Ca 0.38 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.67 2q42 s ALA 126 Cb -0.21 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.54 2q42 s ALA 126 CO 0.95 0.31 -0.07 -1.50 0.00 0.00 0.00 175.76 175.45 2q42 s ILE 127 N -0.25 0.70 -0.35 0.00 2.07 -0.58 0.31 121.20 123.10 2q42 s ILE 127 Ca 0.03 -0.24 -0.16 0.00 -1.41 0.00 0.00 60.65 58.87 2q42 s ILE 127 Cb -0.08 -0.68 -0.01 0.00 0.13 0.00 0.00 42.46 41.83 2q42 s ILE 127 CO 0.00 0.25 0.40 -0.36 -1.91 0.00 0.00 174.94 173.33 2q42 s PHE 128 N 0.70 3.20 -1.48 3.50 0.08 -0.39 0.31 117.98 123.91 2q42 s PHE 128 Ca -0.11 -0.00 0.17 0.00 0.12 0.00 0.00 56.93 57.11 2q42 s PHE 128 Cb -0.14 -2.75 0.51 0.00 -0.57 0.00 0.00 43.02 40.07 2q42 s PHE 128 CO 0.01 -0.48 1.42 0.25 -0.10 0.00 0.00 175.22 176.33 2q42 n THR 129 N 5.30 1.04 -2.07 0.64 -2.24 -0.52 -1.02 114.28 115.42 2q42 n THR 129 Ca -0.08 -1.02 0.00 0.00 -2.27 0.00 0.00 64.05 60.68 2q42 n THR 129 Cb 0.49 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 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 1.13 2.61 1.83 3.38 0.00 -1.26 -0.88 105.19 112.00 2q42 n GLY 130 Ca 0.19 -0.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 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 1.01 3.26 -0.04 1.61 8.00 -1.26 -0.19 116.55 128.94 2q42 n ASP 131 Ca 0.00 -3.68 -0.01 0.00 0.71 0.00 0.00 54.79 51.80 2q42 n ASP 131 Cb 0.00 -0.76 -0.00 0.00 -0.02 0.00 0.00 41.12 40.33 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 1.00 0.00 -3.18 -3.53 2.02 -1.36 -2.10 112.91 105.77 2q42 h THR 132 Ca 0.48 -0.79 -0.67 0.00 0.77 0.00 0.00 66.41 66.20 2q42 h THR 132 Cb 2.41 0.00 -0.34 0.00 -1.74 0.00 0.00 68.15 68.48 2q42 h THR 132 CO 0.84 0.00 -0.86 -0.32 0.37 0.00 0.00 175.52 175.55 2q42 s MET 133 N -1.60 3.04 0.48 6.66 -2.45 -1.23 -1.56 119.30 122.63 2q42 s MET 133 Ca -0.04 -0.84 0.08 0.00 -1.25 0.00 0.00 55.69 53.65 2q42 s MET 133 Cb 0.00 -2.50 0.04 0.00 1.25 0.00 0.00 34.83 33.62 2q42 s MET 133 CO 0.05 -0.06 0.61 -0.06 1.05 0.00 0.00 175.02 176.61 2q42 s PHE 134 N 0.94 2.21 0.04 4.11 0.08 -0.11 -4.67 117.98 120.59 2q42 s PHE 134 Ca -0.04 -0.56 -0.31 0.00 0.12 0.00 0.00 56.93 56.15 2q42 s PHE 134 Cb -0.15 -2.26 -0.07 0.00 -0.57 0.00 0.00 43.02 39.98 2q42 s PHE 134 CO -0.05 -0.65 1.50 0.45 -0.10 0.00 0.00 175.22 176.38 2q42 s SER 135 N -4.43 6.75 -2.02 1.36 0.15 -1.26 -2.52 113.70 111.73 2q42 s SER 135 Ca 0.55 2.29 0.00 0.00 0.70 0.00 0.00 55.95 59.49 2q42 s SER 135 Cb -0.07 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2q42 s SER 135 CO 0.34 -0.78 0.00 0.18 1.20 0.00 0.00 173.24 174.18 2q42 n LEU 136 N 5.26 -1.41 -3.93 3.45 4.77 -1.26 -4.28 117.00 119.60 2q42 n LEU 136 Ca 0.14 0.46 -0.11 0.00 -0.03 0.00 0.00 56.01 56.47 2q42 n LEU 136 Cb 0.42 -2.67 -0.01 0.00 -2.33 0.00 0.00 43.42 38.83 2q42 n LEU 136 CO 0.60 -0.98 0.36 -0.55 -1.33 0.00 0.00 177.39 175.49 2q42 s SER 137 N -2.78 0.30 0.17 -1.43 0.15 -1.05 -4.61 113.70 104.45 2q42 s SER 137 Ca 0.00 -1.21 -0.04 0.00 0.70 0.00 0.00 55.95 55.41 2q42 s SER 137 Cb 0.00 0.75 -0.03 0.00 -1.71 0.00 0.00 66.02 65.03 2q42 s SER 137 CO 0.00 -1.48 0.16 0.00 1.20 0.00 0.00 173.24 173.12 2q42 s GLY 139 N -3.06 2.38 0.68 0.00 0.00 -0.60 -4.81 107.32 101.91 2q42 s GLY 139 Ca 0.26 0.56 -0.15 0.00 0.00 0.00 0.00 44.72 45.39 2q42 s GLY 139 CO 0.05 0.89 1.14 0.54 0.00 0.00 0.00 173.10 175.72 2q42 s LYS 140 N -3.58 2.59 -1.05 2.90 1.02 -1.26 -4.73 119.74 115.62 2q42 s LYS 140 Ca 0.67 1.53 -0.16 0.00 0.02 0.00 0.00 55.97 58.03 2q42 s LYS 140 Cb -0.18 -1.91 0.16 0.00 -0.52 0.00 0.00 37.83 35.38 2q42 s LYS 140 CO 0.28 -1.44 1.24 -0.51 -0.92 0.00 0.00 175.35 173.99 2q42 s LEU 141 N -4.92 5.22 0.16 3.17 1.43 -1.26 -4.33 118.68 118.16 2q42 s LEU 141 Ca 0.70 -2.57 0.25 0.00 -1.03 0.00 0.00 54.13 51.47 2q42 s LEU 141 Cb -0.24 -2.38 0.47 0.00 0.03 0.00 0.00 46.19 44.07 2q42 s LEU 141 CO 0.42 -0.86 1.46 -0.26 0.23 0.00 0.00 176.35 177.34 2q42 h PHE 142 N 7.94 0.00 0.00 0.29 0.04 -1.61 -3.41 116.94 120.19 2q42 h PHE 142 Ca 0.22 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.99 2q42 h PHE 142 Cb 0.95 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.10 2q42 h PHE 142 CO 1.11 0.00 0.00 0.39 -0.60 0.00 0.00 178.31 179.21 2q42 n GLU 143 N -2.23 2.91 -4.38 1.51 1.02 -0.49 -4.97 120.64 114.01 2q42 n GLU 143 Ca 0.04 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.89 2q42 n GLU 143 Cb 0.45 -0.24 -0.06 0.00 -0.02 0.00 0.00 31.44 31.56 2q42 n GLU 143 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2q42 s GLY 144 N 0.00 2.67 0.42 0.62 0.00 -0.98 -4.64 107.32 105.41 2q42 s GLY 144 Ca 0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 44.72 43.58 2q42 s GLY 144 CO 0.00 -2.06 0.65 -0.51 0.00 0.00 0.00 173.10 171.18 2q42 s THR 145 N -2.78 4.56 0.31 0.90 -4.23 -1.26 -4.82 115.64 108.33 2q42 s THR 145 Ca 0.23 -0.35 0.01 0.00 -1.18 0.00 0.00 61.69 60.40 2q42 s THR 145 Cb 0.02 -3.69 0.20 0.00 1.34 0.00 0.00 72.50 70.37 2q42 s THR 145 CO 0.13 -0.51 1.91 -0.65 -0.54 0.00 0.00 174.62 174.96 2q42 h PRO 146 N 0.48 0.80 -0.77 3.99 0.11 -1.94 -0.89 132.00 133.79 2q42 h PRO 146 Ca -0.48 -0.11 -0.05 0.00 0.11 0.00 0.00 66.00 65.47 2q42 h PRO 146 Cb 1.23 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2q42 h PRO 146 CO 0.60 0.65 0.27 -0.22 -0.21 0.00 0.00 178.00 179.08 2q42 h LYS 147 N 0.80 1.17 -0.48 1.05 3.64 -1.94 -0.21 116.57 120.61 2q42 h LYS 147 Ca 0.19 -0.24 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 2q42 h LYS 147 Cb 0.13 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2q42 h LYS 147 CO -0.02 0.98 0.15 1.96 -2.27 0.00 0.00 179.45 180.25 2q42 h GLN 148 N 1.13 0.75 -0.48 1.90 4.20 -1.72 -2.19 115.11 118.69 2q42 h GLN 148 Ca 0.25 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 2q42 h GLN 148 Cb 0.27 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2q42 h GLN 148 CO -0.01 0.70 0.04 1.98 -0.67 0.00 0.00 178.83 180.87 2q42 h MET 149 N 0.64 0.77 0.14 1.46 4.05 -0.85 -0.26 114.93 120.88 2q42 h MET 149 Ca 0.15 -0.19 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 2q42 h MET 149 Cb 0.27 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 2q42 h MET 149 CO -0.01 0.75 -0.07 1.25 0.23 0.00 0.00 176.91 179.07 2q42 h LEU 150 N 0.73 -0.16 -1.81 3.39 5.85 -0.79 0.75 115.31 123.27 2q42 h LEU 150 Ca 0.15 -0.19 0.14 0.00 0.84 0.00 0.00 57.88 58.82 2q42 h LEU 150 Cb 0.39 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 2q42 h LEU 150 CO 0.01 0.10 0.42 0.00 -0.34 0.00 0.00 178.44 178.63 2q42 h ALA 151 N 0.41 2.30 -0.04 1.25 0.00 -1.19 0.45 119.26 122.43 2q42 h ALA 151 Ca -0.02 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 2q42 h ALA 151 Cb 0.33 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.12 2q42 h ALA 151 CO 0.03 -0.46 -0.51 0.77 0.00 0.00 0.00 179.25 179.08 2q42 h SER 152 N 0.19 0.52 0.28 0.00 0.02 -0.41 -2.27 113.55 111.88 2q42 h SER 152 Ca 0.29 -0.71 -0.09 0.00 -0.84 0.00 0.00 61.79 60.44 2q42 h SER 152 Cb 0.87 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 2q42 h SER 152 CO -0.05 1.15 -0.39 -0.07 -1.14 0.00 0.00 176.83 176.34 2q42 h LEU 153 N -0.07 0.15 -0.74 5.07 3.38 0.49 -2.41 115.31 121.18 2q42 h LEU 153 Ca -0.05 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 2q42 h LEU 153 Cb 1.19 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 2q42 h LEU 153 CO 0.10 0.53 -0.29 1.56 0.09 0.00 0.00 178.44 180.43 2q42 h GLN 154 N 0.13 0.63 0.20 1.13 4.20 -0.16 -0.91 115.11 120.34 2q42 h GLN 154 Ca 0.01 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 2q42 h GLN 154 Cb 0.74 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.50 2q42 h GLN 154 CO 0.06 0.85 -0.13 0.87 -0.67 0.00 0.00 178.83 179.81 2q42 h LYS 155 N 0.54 -0.31 0.02 1.46 1.57 -0.93 -0.36 116.57 118.56 2q42 h LYS 155 Ca 0.07 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2q42 h LYS 155 Cb 0.78 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 2q42 h LYS 155 CO 0.06 -0.21 -0.07 0.82 -0.57 0.00 0.00 179.45 179.48 2q42 h ILE 156 N -0.32 0.82 0.00 1.86 2.04 -1.37 -1.90 117.51 118.63 2q42 h ILE 156 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2q42 h ILE 156 Cb 0.27 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 2q42 h ILE 156 CO 0.02 0.00 0.00 0.35 0.00 0.00 0.00 178.15 178.52 2q42 n THR 157 N -5.19 0.98 0.17 -0.27 -2.24 -0.35 -0.96 114.28 106.41 2q42 n THR 157 Ca -0.06 0.45 0.05 0.00 -2.27 0.00 0.00 64.05 62.22 2q42 n THR 157 Cb 0.12 -1.41 0.18 0.00 -2.10 0.00 0.00 70.33 67.12 2q42 n THR 157 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2q42 h SER 158 N 0.00 0.00 -3.57 3.42 0.87 -0.22 -3.45 113.55 110.60 2q42 h SER 158 Ca 0.00 0.00 -0.47 0.00 -1.23 0.00 0.00 61.79 60.09 2q42 h SER 158 Cb 0.19 0.00 0.21 0.00 -0.44 0.00 0.00 62.40 62.36 2q42 h SER 158 CO 0.00 0.42 0.06 0.18 -0.53 0.00 0.00 176.83 176.96 2q42 n LEU 159 N -3.33 0.16 -4.64 2.23 4.77 -0.13 -4.91 117.00 111.15 2q42 n LEU 159 Ca 0.01 0.03 -0.39 0.00 -0.03 0.00 0.00 56.01 55.64 2q42 n LEU 159 Cb 0.62 -1.33 0.04 0.00 -2.33 0.00 0.00 43.42 40.42 2q42 n LEU 159 CO 0.38 -2.92 0.64 -2.65 -1.33 0.00 0.00 177.39 171.52 2q42 n PRO 160 N -4.73 1.17 0.14 3.23 -0.02 -1.26 -4.84 135.00 128.68 2q42 n PRO 160 Ca 0.06 0.44 0.15 0.00 -2.02 0.00 0.00 63.50 62.13 2q42 n PRO 160 Cb 0.53 -2.22 0.69 0.00 -0.02 0.00 0.00 33.50 32.48 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 0.93 0.00 -0.18 2.55 5.19 -1.90 0.11 116.42 123.12 2q42 h ASP 161 Ca -0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 2q42 h ASP 161 Cb 1.35 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.86 2q42 h ASP 161 CO 0.53 0.00 0.00 -0.90 -3.12 0.00 0.00 179.24 175.75 2q42 n ASP 162 N -4.37 1.13 -4.61 6.45 5.68 -1.26 -1.57 116.55 118.00 2q42 n ASP 162 Ca 0.03 -1.87 -0.43 0.00 -0.50 0.00 0.00 54.79 52.03 2q42 n ASP 162 Cb 0.35 -0.12 -0.03 0.00 -1.14 0.00 0.00 41.12 40.19 2q42 n ASP 162 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2q42 s THR 163 N -1.76 3.58 0.13 2.12 2.01 0.40 -4.84 115.64 117.28 2q42 s THR 163 Ca 0.20 0.62 -0.30 0.00 0.31 0.00 0.00 61.69 62.51 2q42 s THR 163 Cb 0.10 -3.72 -0.07 0.00 0.01 0.00 0.00 72.50 68.83 2q42 s THR 163 CO 0.15 -0.41 1.17 -0.94 -0.69 0.00 0.00 174.62 173.90 2q42 s SER 164 N 5.27 7.14 -0.20 3.53 1.04 -0.44 -0.75 113.70 129.28 2q42 s SER 164 Ca 0.75 2.10 -0.07 0.00 0.48 0.00 0.00 55.95 59.21 2q42 s SER 164 Cb -0.22 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.27 2q42 s SER 164 CO 0.32 -0.37 0.05 -0.63 0.98 0.00 0.00 173.24 173.60 2q42 s ILE 165 N 0.35 4.52 -0.35 -1.02 1.01 0.20 -1.52 121.20 124.39 2q42 s ILE 165 Ca 0.54 -0.12 -0.04 0.00 0.00 0.00 0.00 60.65 61.03 2q42 s ILE 165 Cb -0.30 -3.06 0.06 0.00 0.01 0.00 0.00 42.46 39.17 2q42 s ILE 165 CO 0.33 0.42 0.11 -0.31 0.00 0.00 0.00 174.94 175.48 2q42 s TYR 166 N 0.83 3.34 0.40 3.97 2.02 0.15 -1.88 117.35 126.18 2q42 s TYR 166 Ca 0.03 -1.81 0.08 0.00 -0.37 0.00 0.00 57.07 54.99 2q42 s TYR 166 Cb -0.14 -2.50 -0.04 0.00 -0.40 0.00 0.00 41.96 38.89 2q42 s TYR 166 CO 0.02 -0.82 0.24 0.00 -1.57 0.00 0.00 175.55 173.42 2q42 h GLY 168 N 1.31 0.90 -3.01 0.00 0.00 -0.86 -3.41 103.07 97.99 2q42 h GLY 168 Ca -0.42 -0.29 -0.15 0.00 0.00 0.00 0.00 47.33 46.46 2q42 h GLY 168 CO 0.65 0.22 -0.64 0.30 0.00 0.00 0.00 176.54 177.07 2q42 s HIS 169 N -5.64 0.70 -1.07 5.60 3.76 -1.26 -0.66 115.29 116.72 2q42 s HIS 169 Ca -0.09 -1.14 -0.11 0.00 -0.15 0.00 0.00 55.06 53.57 2q42 s HIS 169 Cb 0.19 -0.42 0.24 0.00 1.11 0.00 0.00 32.58 33.71 2q42 s HIS 169 CO 0.77 -0.48 1.10 -2.00 -0.85 0.00 0.00 174.74 173.27 2q42 s GLU 170 N -3.99 4.05 0.00 1.40 2.56 -0.10 -4.72 118.70 117.89 2q42 s GLU 170 Ca 0.17 -2.92 0.10 0.00 0.00 0.00 0.00 54.97 52.33 2q42 s GLU 170 Cb 0.07 -4.63 -0.08 0.00 2.00 0.00 0.00 34.13 31.50 2q42 s GLU 170 CO -0.03 -1.35 0.48 0.66 -0.56 0.00 0.00 175.26 174.46 2q42 n TYR 171 N 3.56 0.00 -0.25 5.30 4.01 -1.26 -4.85 117.16 123.67 2q42 n TYR 171 Ca 0.24 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 58.03 2q42 n TYR 171 Cb 0.42 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.61 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 0.32 0.38 0.07 -0.72 2.02 -1.85 -1.59 112.91 111.55 2q42 h THR 172 Ca 0.00 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.15 2q42 h THR 172 Cb 0.26 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 2q42 h THR 172 CO 0.00 0.02 -0.15 0.25 0.37 0.00 0.00 175.52 176.01 2q42 h LEU 173 N 0.13 -0.42 0.07 2.58 5.85 -1.91 0.88 115.31 122.49 2q42 h LEU 173 Ca 0.41 0.05 0.02 0.00 0.84 0.00 0.00 57.88 59.20 2q42 h LEU 173 Cb 0.73 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2q42 h LEU 173 CO -0.63 -0.22 -0.16 0.28 -0.34 0.00 0.00 178.44 177.37 2q42 h SER 174 N -0.29 -0.46 -0.92 1.25 0.02 -1.84 -1.12 113.55 110.19 2q42 h SER 174 Ca 0.03 0.06 0.15 0.00 -0.84 0.00 0.00 61.79 61.18 2q42 h SER 174 Cb 0.32 0.18 -0.08 0.00 0.14 0.00 0.00 62.40 62.96 2q42 h SER 174 CO -0.09 -0.23 0.59 0.78 -1.14 0.00 0.00 176.83 176.73 2q42 h ASN 175 N -0.31 0.69 0.12 3.07 2.35 -0.92 0.35 115.58 120.95 2q42 h ASN 175 Ca 0.03 0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 2q42 h ASN 175 Cb 0.34 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2q42 h ASN 175 CO -0.11 0.34 -0.26 0.28 -1.65 0.00 0.00 177.43 176.03 2q42 h SER 176 N 0.73 0.23 0.59 5.81 0.02 0.20 0.19 113.55 121.33 2q42 h SER 176 Ca 0.47 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.32 2q42 h SER 176 Cb 0.73 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.20 2q42 h SER 176 CO -0.23 0.51 -0.32 0.11 -1.14 0.00 0.00 176.83 175.75 2q42 h LYS 177 N 0.21 -0.82 -0.16 3.45 1.79 0.59 -0.07 116.57 121.57 2q42 h LYS 177 Ca 0.03 0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.57 2q42 h LYS 177 Cb 0.59 0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.41 2q42 h LYS 177 CO 0.04 -0.55 0.09 0.35 -1.08 0.00 0.00 179.45 178.30 2q42 h PHE 178 N -0.85 0.16 -0.87 -1.35 3.57 -1.34 -1.71 116.94 114.55 2q42 h PHE 178 Ca -0.08 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.59 2q42 h PHE 178 Cb 0.67 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 2q42 h PHE 178 CO -0.07 0.10 0.57 0.00 -2.23 0.00 0.00 178.31 176.68 2q42 h ALA 179 N 1.07 1.97 0.00 2.41 0.00 -0.39 0.21 119.26 124.53 2q42 h ALA 179 Ca 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2q42 h ALA 179 Cb -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2q42 h ALA 179 CO -0.03 -0.23 -0.15 -0.07 0.00 0.00 0.00 179.25 178.77 2q42 h LEU 180 N 0.57 0.00 -0.76 0.00 3.38 -0.18 -1.98 115.31 116.33 2q42 h LEU 180 Ca 0.44 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.31 2q42 h LEU 180 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2q42 h LEU 180 CO -0.19 0.15 -0.21 0.77 0.09 0.00 0.00 178.44 179.05 2q42 h SER 181 N 0.00 0.72 0.00 -0.43 4.64 0.26 -3.20 113.55 115.54 2q42 h SER 181 Ca -0.00 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 2q42 h SER 181 Cb 1.01 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2q42 h SER 181 CO 0.02 0.92 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.78 2q42 h LEU 182 N 0.63 0.00 -6.61 5.97 3.38 -1.22 -3.41 115.31 114.05 2q42 h LEU 182 Ca 0.09 -0.55 -0.68 0.00 0.09 0.00 0.00 57.88 56.83 2q42 h LEU 182 Cb 0.69 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.07 2q42 h LEU 182 CO 0.05 0.80 -0.11 -0.62 0.09 0.00 0.00 178.44 178.66 2q42 n GLU 183 N -4.67 3.10 0.29 1.13 1.02 -0.77 -4.44 120.64 116.30 2q42 n GLU 183 Ca -0.06 -4.61 0.19 0.00 -0.02 0.00 0.00 57.16 52.66 2q42 n GLU 183 Cb 0.28 -2.36 0.89 0.00 -0.02 0.00 0.00 31.44 30.24 2q42 n GLU 183 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2q42 h PRO 184 N 4.86 0.00 -0.60 3.49 0.13 -1.80 -2.56 132.00 135.52 2q42 h PRO 184 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2q42 h PRO 184 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 2q42 h PRO 184 CO 0.98 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.84 2q42 n ASN 185 N -3.02 4.26 -4.63 1.44 5.03 -1.26 -4.90 115.26 112.18 2q42 n ASN 185 Ca -0.01 -2.31 -0.43 0.00 0.87 0.00 0.00 54.58 52.70 2q42 n ASN 185 Cb 0.20 -0.51 -0.02 0.00 -1.02 0.00 0.00 39.78 38.43 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 -1.02 6.86 0.16 6.41 3.84 -0.96 -4.92 114.94 125.30 2q42 s ASN 186 Ca 0.46 1.00 0.05 0.00 0.21 0.00 0.00 52.86 54.59 2q42 s ASN 186 Cb 0.28 -2.54 -0.06 0.00 -0.55 0.00 0.00 41.25 38.38 2q42 s ASN 186 CO 0.25 -0.96 1.35 -0.08 -2.79 0.00 0.00 177.10 174.87 2q42 h GLU 187 N 8.41 0.09 -0.28 0.43 4.81 -1.90 0.36 114.58 126.50 2q42 h GLU 187 Ca -0.22 -0.11 -0.19 0.00 -0.13 0.00 0.00 59.36 58.71 2q42 h GLU 187 Cb 1.07 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.48 2q42 h GLU 187 CO 1.05 0.94 -0.57 0.28 -0.73 0.00 0.00 179.01 179.97 2q42 h VAL 188 N 0.04 1.27 -0.61 0.32 2.07 -1.92 -2.59 116.25 114.83 2q42 h VAL 188 Ca -0.03 -1.75 -0.10 0.00 0.82 0.00 0.00 66.70 65.64 2q42 h VAL 188 Cb 1.59 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 33.00 2q42 h VAL 188 CO 0.13 0.57 -0.00 0.25 0.02 0.00 0.00 177.57 178.54 2q42 h LEU 189 N 0.66 1.06 -0.07 2.57 5.85 -1.82 -0.29 115.31 123.27 2q42 h LEU 189 Ca 0.01 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.45 2q42 h LEU 189 Cb 1.18 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 2q42 h LEU 189 CO 0.13 1.11 -0.14 1.56 -0.34 0.00 0.00 178.44 180.76 2q42 h GLN 190 N 0.98 -0.19 -0.40 1.25 4.20 -0.79 0.36 115.11 120.53 2q42 h GLN 190 Ca 0.17 0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.76 2q42 h GLN 190 Cb 0.57 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2q42 h GLN 190 CO 0.03 -0.13 -0.30 1.03 -0.67 0.00 0.00 178.83 178.79 2q42 h SER 191 N -0.20 0.92 -0.37 1.46 0.87 -1.39 -2.37 113.55 112.46 2q42 h SER 191 Ca 0.07 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.24 2q42 h SER 191 Cb 0.30 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 2q42 h SER 191 CO -0.18 1.14 0.19 0.22 -0.53 0.00 0.00 176.83 177.67 2q42 h TYR 192 N 0.74 0.53 -0.00 2.24 3.20 -0.65 0.30 116.97 123.32 2q42 h TYR 192 Ca 0.08 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 2q42 h TYR 192 Cb 0.86 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 2q42 h TYR 192 CO 0.05 0.44 -0.12 0.00 -1.64 0.00 0.00 178.16 176.89 2q42 h ALA 193 N 1.04 1.80 -0.07 1.82 0.00 -0.22 0.59 119.26 124.22 2q42 h ALA 193 Ca 0.13 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 2q42 h ALA 193 Cb 0.10 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2q42 h ALA 193 CO -0.02 0.15 -0.55 0.00 0.00 0.00 0.00 179.25 178.83 2q42 h ALA 194 N 1.88 0.16 -0.99 0.00 0.00 -0.86 -1.00 119.26 118.45 2q42 h ALA 194 Ca -0.00 -0.53 0.01 0.00 0.00 0.00 0.00 54.91 54.39 2q42 h ALA 194 Cb 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2q42 h ALA 194 CO 0.02 0.39 0.66 1.25 0.00 0.00 0.00 179.25 181.56 2q42 h HIS 195 N 0.07 1.25 -0.36 0.00 6.17 0.14 0.08 115.15 122.52 2q42 h HIS 195 Ca -0.05 0.03 -0.04 0.00 0.71 0.00 0.00 60.37 61.02 2q42 h HIS 195 Cb 1.22 -0.42 -0.01 0.00 2.52 0.00 0.00 27.41 30.71 2q42 h HIS 195 CO 0.12 0.79 0.06 0.28 0.71 0.00 0.00 177.93 179.90 2q42 h VAL 196 N 1.35 1.24 -0.69 5.26 2.07 -0.91 0.19 116.25 124.75 2q42 h VAL 196 Ca 0.36 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 67.08 2q42 h VAL 196 Cb -0.15 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 2q42 h VAL 196 CO -0.08 0.28 0.46 0.00 0.02 0.00 0.00 177.57 178.25 2q42 h ALA 197 N 0.91 1.60 -0.28 1.67 0.00 -0.43 0.33 119.26 123.06 2q42 h ALA 197 Ca 0.11 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2q42 h ALA 197 Cb 0.35 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2q42 h ALA 197 CO 0.01 0.34 -0.32 0.93 0.00 0.00 0.00 179.25 180.20 2q42 h GLU 198 N 0.84 0.72 -0.22 0.00 5.08 -0.60 -2.69 114.58 117.72 2q42 h GLU 198 Ca 0.27 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2q42 h GLU 198 Cb 0.04 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2q42 h GLU 198 CO -0.07 1.01 0.12 -0.07 -1.00 0.00 0.00 179.01 179.00 2q42 h LEU 199 N 0.46 0.27 -0.49 1.33 3.38 0.07 -2.79 115.31 117.54 2q42 h LEU 199 Ca 0.04 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2q42 h LEU 199 Cb 0.90 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2q42 h LEU 199 CO 0.08 0.27 0.24 0.03 0.09 0.00 0.00 178.44 179.15 2q42 h ARG 200 N 0.25 0.71 0.00 1.13 2.47 -1.03 -1.28 114.38 116.64 2q42 h ARG 200 Ca 0.08 -0.10 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2q42 h ARG 200 Cb 0.06 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 2q42 h ARG 200 CO -0.01 0.59 0.13 0.77 0.56 0.00 0.00 179.97 182.01 2q42 h SER 201 N 0.65 0.00 -0.62 7.04 0.02 -1.21 1.14 113.55 120.57 2q42 h SER 201 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2q42 h SER 201 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2q42 h SER 201 CO -0.02 0.00 0.00 2.29 -1.14 0.00 0.00 176.83 177.96 2q42 n LYS 202 N -2.87 2.92 -1.74 3.45 2.85 -0.76 -4.96 118.16 117.04 2q42 n LYS 202 Ca -0.02 -2.56 -0.19 0.00 -1.05 0.00 0.00 58.31 54.49 2q42 n LYS 202 Cb 0.19 -1.55 -0.06 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 1.25 -1.36 -3.15 -1.58 5.02 0.39 -4.99 118.16 113.74 2q42 n LYS 203 Ca 0.22 1.10 -0.23 0.00 -2.02 0.00 0.00 58.31 57.38 2q42 n LYS 203 Cb 0.62 -5.46 0.00 0.00 -0.02 0.00 0.00 35.03 30.17 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 -4.56 3.81 0.78 -0.35 1.43 -0.56 -4.99 118.68 114.24 2q42 s LEU 204 Ca 0.00 0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 53.33 2q42 s LEU 204 Cb 0.00 -3.22 0.06 0.00 0.03 0.00 0.00 46.19 43.06 2q42 s LEU 204 CO 0.00 -0.53 1.09 -2.84 0.23 0.00 0.00 176.35 174.30 2q42 s PRO 205 N -4.45 2.23 0.00 1.29 0.02 -1.26 -4.15 135.00 128.67 2q42 s PRO 205 Ca 0.45 0.80 0.06 0.00 0.02 0.00 0.00 61.00 62.33 2q42 s PRO 205 Cb -0.10 -1.92 0.16 0.00 0.02 0.00 0.00 34.50 32.66 2q42 s PRO 205 CO 0.37 -1.56 1.09 0.25 -0.33 0.00 0.00 177.00 176.82 2q42 n THR 206 N -3.42 0.89 -4.79 0.99 -2.24 -1.26 -4.91 114.28 99.55 2q42 n THR 206 Ca 0.07 -0.95 -0.30 0.00 -2.27 0.00 0.00 64.05 60.60 2q42 n THR 206 Cb 0.55 0.57 -0.14 0.00 -2.10 0.00 0.00 70.33 69.21 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 -0.95 2.35 0.70 2.28 -1.09 -1.26 -4.24 121.20 118.99 2q42 s ILE 207 Ca 0.12 -1.36 -0.13 0.00 -2.23 0.00 0.00 60.65 57.05 2q42 s ILE 207 Cb 0.07 -1.95 0.02 0.00 -1.58 0.00 0.00 42.46 39.01 2q42 s ILE 207 CO 0.09 0.34 1.10 -2.16 -1.23 0.00 0.00 174.94 173.08 2q42 s PRO 208 N -1.36 2.62 0.00 2.79 0.04 -1.26 -5.06 135.00 132.77 2q42 s PRO 208 Ca 0.13 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.48 2q42 s PRO 208 Cb -0.10 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2q42 s PRO 208 CO 0.03 -1.38 0.00 -2.37 0.04 0.00 0.00 177.00 173.32 2q42 n THR 209 N -2.78 0.00 -4.09 1.26 5.66 -0.79 -4.89 114.28 108.64 2q42 n THR 209 Ca 0.10 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.02 2q42 n THR 209 Cb 0.52 -0.59 -0.10 0.00 -1.55 0.00 0.00 70.33 68.61 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 0.92 0.19 0.22 1.09 -4.23 -1.26 -0.63 115.64 111.94 2q42 s THR 210 Ca 0.00 -1.81 -0.08 0.00 -1.18 0.00 0.00 61.69 58.62 2q42 s THR 210 Cb 0.00 -1.63 0.17 0.00 1.34 0.00 0.00 72.50 72.37 2q42 s THR 210 CO 0.00 -0.86 1.84 0.58 -0.54 0.00 0.00 174.62 175.64 2q42 h VAL 211 N 3.07 1.05 -0.17 2.29 2.07 -0.98 -0.47 116.25 123.11 2q42 h VAL 211 Ca -0.34 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 66.90 2q42 h VAL 211 Cb 1.16 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2q42 h VAL 211 CO 0.64 0.16 0.03 0.50 0.02 0.00 0.00 177.57 178.91 2q42 h LYS 212 N 0.87 0.09 -0.63 1.57 3.64 -1.57 -0.59 116.57 119.95 2q42 h LYS 212 Ca 0.32 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.61 2q42 h LYS 212 Cb 0.10 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 2q42 h LYS 212 CO -0.15 0.06 0.08 1.98 -2.27 0.00 0.00 179.45 179.16 2q42 h MET 213 N 0.10 1.04 -0.16 1.90 4.05 -1.72 -2.54 114.93 117.59 2q42 h MET 213 Ca 0.08 -0.28 -0.16 0.00 -0.28 0.00 0.00 59.70 59.07 2q42 h MET 213 Cb 0.08 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 2q42 h MET 213 CO -0.11 0.96 -0.56 0.93 0.23 0.00 0.00 176.91 178.37 2q42 h GLU 214 N 0.97 0.49 -0.65 0.39 4.39 -0.63 -0.96 114.58 118.58 2q42 h GLU 214 Ca 0.19 -0.31 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 2q42 h GLU 214 Cb 0.44 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 2q42 h GLU 214 CO 0.01 0.92 0.40 0.87 -1.16 0.00 0.00 179.01 180.05 2q42 h LYS 215 N 0.38 0.88 -0.02 2.33 1.57 -1.01 0.24 116.57 120.94 2q42 h LYS 215 Ca 0.01 -0.07 -0.18 0.00 -1.87 0.00 0.00 60.65 58.53 2q42 h LYS 215 Cb 1.09 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 2q42 h LYS 215 CO 0.10 0.61 -0.81 0.00 -0.57 0.00 0.00 179.45 178.78 2q42 h ALA 216 N 1.55 0.60 0.00 3.86 0.00 -0.97 -3.40 119.26 120.90 2q42 h ALA 216 Ca 0.24 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2q42 h ALA 216 Cb -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2q42 h ALA 216 CO -0.05 0.87 -0.94 0.00 0.00 0.00 0.00 179.25 179.13 2q42 s ASN 218 N -1.91 6.34 0.57 0.00 3.04 0.81 -4.91 114.94 118.89 2q42 s ASN 218 Ca 0.00 -0.28 0.33 0.00 0.04 0.00 0.00 52.86 52.95 2q42 s ASN 218 Cb 0.00 -2.48 1.42 0.00 -1.54 0.00 0.00 41.25 38.66 2q42 s ASN 218 CO 0.00 -1.35 1.73 1.55 -3.04 0.00 0.00 177.10 175.99 2q42 h PRO 219 N 9.44 0.00 0.00 0.43 0.13 -1.86 -0.30 132.00 139.84 2q42 h PRO 219 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2q42 h PRO 219 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2q42 h PRO 219 CO 1.13 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 180.09 2q42 n PHE 220 N -3.84 0.07 0.74 1.56 3.72 -1.26 -1.79 117.46 116.66 2q42 n PHE 220 Ca 0.20 0.02 0.10 0.00 -0.05 0.00 0.00 57.45 57.73 2q42 n PHE 220 Cb 1.15 -0.54 0.10 0.00 -0.94 0.00 0.00 39.48 39.25 2q42 n PHE 220 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2q42 n LEU 221 N -1.56 2.74 -1.98 4.37 4.77 -0.13 -4.45 117.00 120.76 2q42 n LEU 221 Ca 0.05 -1.08 -0.13 0.00 -0.03 0.00 0.00 56.01 54.82 2q42 n LEU 221 Cb 0.25 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.36 2q42 n LEU 221 CO 0.20 0.49 0.16 0.54 -1.33 0.00 0.00 177.39 177.45 2q42 n ARG 222 N 1.14 2.77 0.00 3.23 1.74 -0.74 -4.88 116.66 119.91 2q42 n ARG 222 Ca 0.12 -3.81 0.07 0.00 -0.77 0.00 0.00 57.85 53.47 2q42 n ARG 222 Cb 0.50 -1.94 0.40 0.00 -1.02 0.00 0.00 32.46 30.40 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 -0.68 0.00 -0.63 0.55 3.41 -1.22 -1.24 113.62 113.81 2q42 n SER 223 Ca 0.31 -0.08 0.08 0.00 -0.26 0.00 0.00 58.87 58.92 2q42 n SER 223 Cb 0.90 -0.21 0.06 0.00 -0.26 0.00 0.00 64.21 64.71 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 -1.21 2.30 -4.72 4.04 3.41 -1.26 -4.73 113.62 111.46 2q42 n SER 224 Ca 0.08 -1.65 -0.42 0.00 -0.26 0.00 0.00 58.87 56.62 2q42 n SER 224 Cb 0.10 0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 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 -1.46 6.41 0.31 4.04 3.84 -0.37 -4.89 114.94 122.82 2q42 s ASN 225 Ca 0.19 2.82 0.00 0.00 0.21 0.00 0.00 52.86 56.08 2q42 s ASN 225 Cb 0.14 -2.59 0.49 0.00 -0.55 0.00 0.00 41.25 38.74 2q42 s ASN 225 CO 0.23 -0.96 1.91 0.74 -2.79 0.00 0.00 177.10 176.23 2q42 h THR 226 N 3.97 1.20 -0.35 -5.21 2.02 -1.94 -1.27 112.91 111.33 2q42 h THR 226 Ca -0.43 -0.58 -0.07 0.00 0.77 0.00 0.00 66.41 66.09 2q42 h THR 226 Cb 1.20 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 2q42 h THR 226 CO 0.95 0.24 -0.06 0.44 0.37 0.00 0.00 175.52 177.46 2q42 h ASP 227 N 0.85 0.67 -0.65 4.18 3.32 -1.92 -1.11 116.42 121.76 2q42 h ASP 227 Ca 0.21 -0.35 -0.07 0.00 0.02 0.00 0.00 57.03 56.83 2q42 h ASP 227 Cb 0.11 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 2q42 h ASP 227 CO -0.03 0.86 0.12 0.40 -1.72 0.00 0.00 179.24 178.88 2q42 h ILE 228 N 0.46 1.26 -0.45 0.35 2.04 -1.73 -2.20 117.51 117.24 2q42 h ILE 228 Ca 0.09 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 2q42 h ILE 228 Cb 0.56 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 2q42 h ILE 228 CO 0.03 0.38 0.26 0.03 0.00 0.00 0.00 178.15 178.85 2q42 h ARG 229 N 1.01 0.62 -0.78 2.37 3.08 -0.94 -2.54 114.38 117.21 2q42 h ARG 229 Ca 0.20 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 2q42 h ARG 229 Cb 0.41 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.30 2q42 h ARG 229 CO 0.01 0.48 0.47 -0.09 -1.07 0.00 0.00 179.97 179.77 2q42 h ARG 230 N 0.59 1.06 -0.89 0.04 2.43 -1.08 0.08 114.38 116.61 2q42 h ARG 230 Ca 0.16 -0.10 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 2q42 h ARG 230 Cb 0.03 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.31 2q42 h ARG 230 CO -0.03 0.75 0.58 0.00 -1.51 0.00 0.00 179.97 179.77 2q42 h ALA 231 N 1.25 1.45 -0.45 2.80 0.00 -1.11 -3.10 119.26 120.11 2q42 h ALA 231 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2q42 h ALA 231 Cb -0.04 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2q42 h ALA 231 CO -0.05 0.45 0.00 1.28 0.00 0.00 0.00 179.25 180.93 2q42 n LEU 232 N -4.45 3.24 -3.95 0.00 4.77 -0.98 -4.97 117.00 110.66 2q42 n LEU 232 Ca 0.12 -1.85 -0.30 0.00 -0.03 0.00 0.00 56.01 53.95 2q42 n LEU 232 Cb 0.12 -0.30 0.01 0.00 -2.33 0.00 0.00 43.42 40.93 2q42 n LEU 232 CO 0.34 0.79 0.03 -1.14 -1.33 0.00 0.00 177.39 176.08 2q42 n ARG 233 N 1.01 -4.85 -2.93 3.23 0.63 -0.03 -4.96 116.66 108.76 2q42 n ARG 233 Ca 0.16 0.54 -0.41 0.00 -0.92 0.00 0.00 57.85 57.23 2q42 n ARG 233 Cb 0.50 -5.30 -0.04 0.00 0.45 0.00 0.00 32.46 28.07 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 -3.40 4.96 0.19 5.15 1.01 -0.93 -5.01 121.20 123.17 2q42 s ILE 234 Ca 0.54 1.62 -0.32 0.00 0.00 0.00 0.00 60.65 62.49 2q42 s ILE 234 Cb -0.28 -4.13 -0.15 0.00 0.01 0.00 0.00 42.46 37.92 2q42 s ILE 234 CO 0.85 0.16 1.17 -2.65 0.00 0.00 0.00 174.94 174.47 2q42 n PRO 235 N 4.28 1.25 0.13 2.79 -0.02 -1.26 -4.74 135.00 137.44 2q42 n PRO 235 Ca 0.02 0.45 0.08 0.00 -2.02 0.00 0.00 63.50 62.03 2q42 n PRO 235 Cb 0.50 -1.95 0.57 0.00 -0.02 0.00 0.00 33.50 32.61 2q42 n PRO 235 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2q42 h GLU 236 N 3.33 0.20 0.00 -0.52 4.81 -1.96 0.21 114.58 120.66 2q42 h GLU 236 Ca -0.43 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2q42 h GLU 236 Cb 1.34 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2q42 h GLU 236 CO 0.70 0.13 0.00 0.00 -0.73 0.00 0.00 179.01 179.11 2q42 n ALA 237 N -2.53 2.10 -1.77 2.92 0.00 -1.26 -4.86 120.51 115.11 2q42 n ALA 237 Ca 0.01 -0.09 -0.37 0.00 0.00 0.00 0.00 53.44 52.98 2q42 n ALA 237 Cb 0.15 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 2q42 n ALA 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2q42 s ALA 238 N -2.74 3.03 0.93 0.00 0.00 0.75 -5.02 121.76 118.71 2q42 s ALA 238 Ca 0.17 0.95 -0.14 0.00 0.00 0.00 0.00 51.96 52.94 2q42 s ALA 238 Cb 0.15 -3.39 0.19 0.00 0.00 0.00 0.00 23.12 20.07 2q42 s ALA 238 CO 0.37 -0.63 1.29 0.16 0.00 0.00 0.00 175.76 176.94 2q42 s ASP 239 N -1.28 3.27 0.36 0.00 1.47 -1.26 -4.79 116.67 114.43 2q42 s ASP 239 Ca 0.62 0.22 0.06 0.00 1.18 0.00 0.00 52.55 54.62 2q42 s ASP 239 Cb -0.29 -0.30 0.67 0.00 -0.34 0.00 0.00 42.92 42.65 2q42 s ASP 239 CO 0.36 -2.63 1.89 -0.33 0.68 0.00 0.00 175.17 175.15 2q42 h GLU 240 N -1.52 0.43 0.18 2.11 5.08 -1.95 0.02 114.58 118.93 2q42 h GLU 240 Ca -0.44 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 2q42 h GLU 240 Cb 1.24 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2q42 h GLU 240 CO 0.39 0.49 -0.08 0.00 -1.00 0.00 0.00 179.01 178.80 2q42 h ALA 241 N 1.56 -0.24 -0.52 3.43 0.00 -1.92 -0.70 119.26 120.87 2q42 h ALA 241 Ca 0.09 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2q42 h ALA 241 Cb 0.33 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2q42 h ALA 241 CO 0.01 -0.52 0.04 1.49 0.00 0.00 0.00 179.25 180.27 2q42 h GLU 242 N -0.46 0.84 -0.17 0.00 4.81 -1.89 -1.45 114.58 116.26 2q42 h GLU 242 Ca -0.02 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 2q42 h GLU 242 Cb 0.36 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2q42 h GLU 242 CO 0.04 0.81 0.03 0.00 -0.73 0.00 0.00 179.01 179.17 2q42 h ALA 243 N 1.25 1.75 -0.16 2.92 0.00 -0.82 -1.89 119.26 122.31 2q42 h ALA 243 Ca 0.16 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 2q42 h ALA 243 Cb 0.42 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2q42 h ALA 243 CO 0.01 0.20 -0.71 1.25 0.00 0.00 0.00 179.25 180.00 2q42 h LEU 244 N 0.24 0.91 -1.05 0.00 6.46 -0.59 -2.69 115.31 118.58 2q42 h LEU 244 Ca 0.06 -0.62 0.05 0.00 -0.12 0.00 0.00 57.88 57.25 2q42 h LEU 244 Cb 0.11 -0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 39.71 2q42 h LEU 244 CO -0.00 1.38 0.64 1.23 -0.62 0.00 0.00 178.44 181.06 2q42 h GLY 245 N 0.50 1.45 1.00 3.75 0.00 -0.50 0.10 103.07 109.37 2q42 h GLY 245 Ca -0.04 -0.47 -0.16 0.00 0.00 0.00 0.00 47.33 46.66 2q42 h GLY 245 CO 0.15 0.36 -0.51 -2.22 0.00 0.00 0.00 176.54 174.32 2q42 h ILE 246 N 1.18 1.32 -0.70 2.60 2.04 -1.47 -2.24 117.51 120.23 2q42 h ILE 246 Ca 0.41 -1.74 0.03 0.00 1.00 0.00 0.00 64.86 64.55 2q42 h ILE 246 Cb 0.11 1.91 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 2q42 h ILE 246 CO -0.15 0.55 0.44 0.40 0.00 0.00 0.00 178.15 179.39 2q42 h ILE 247 N 0.37 1.09 -0.15 -0.67 2.04 -1.12 0.82 117.51 119.90 2q42 h ILE 247 Ca -0.01 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2q42 h ILE 247 Cb 1.13 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2q42 h ILE 247 CO 0.11 0.16 -0.01 -0.09 0.00 0.00 0.00 178.15 178.32 2q42 h ARG 248 N 0.86 0.26 -0.33 2.37 9.65 -0.76 0.14 114.38 126.58 2q42 h ARG 248 Ca 0.28 -0.09 -0.05 0.00 -1.10 0.00 0.00 59.98 59.02 2q42 h ARG 248 Cb 0.02 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 2q42 h ARG 248 CO -0.11 0.51 -0.02 0.87 2.80 0.00 0.00 179.97 184.02 2q42 h LYS 249 N -0.01 0.51 -0.73 0.20 1.57 -1.25 0.68 116.57 117.54 2q42 h LYS 249 Ca 0.04 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 2q42 h LYS 249 Cb 0.39 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 2q42 h LYS 249 CO 0.01 0.55 0.21 0.00 -0.57 0.00 0.00 179.45 179.65 2q42 h ALA 250 N 1.50 1.00 -0.20 3.86 0.00 -0.29 -1.76 119.26 123.36 2q42 h ALA 250 Ca 0.10 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 2q42 h ALA 250 Cb 0.35 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2q42 h ALA 250 CO 0.01 0.66 -0.27 -0.22 0.00 0.00 0.00 179.25 179.43 2q42 h LYS 251 N 1.09 0.54 -0.87 0.00 3.64 -0.02 -2.75 116.57 118.19 2q42 h LYS 251 Ca 0.23 -0.31 0.13 0.00 -1.27 0.00 0.00 60.65 59.43 2q42 h LYS 251 Cb 0.33 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.10 2q42 h LYS 251 CO -0.00 0.91 0.56 -0.44 -2.27 0.00 0.00 179.45 178.21 2q42 h ASP 252 N 0.21 0.66 -2.34 4.20 3.32 -0.74 -2.76 116.42 118.96 2q42 h ASP 252 Ca 0.02 0.03 -0.68 0.00 0.02 0.00 0.00 57.03 56.43 2q42 h ASP 252 Cb 0.84 -0.10 -0.36 0.00 0.22 0.00 0.00 39.33 39.94 2q42 h ASP 252 CO 0.06 0.35 0.02 -0.67 -1.72 0.00 0.00 179.24 177.28 2q42 n ASP 253 N -4.55 5.40 0.00 6.45 2.03 -0.67 -5.11 116.55 120.10 2q42 n ASP 253 Ca 0.16 -3.61 0.00 0.00 0.52 0.00 0.00 54.79 51.87 2q42 n ASP 253 Cb 0.44 -0.84 0.00 0.00 -0.72 0.00 0.00 41.12 40.00 2q42 n ASP 253 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61