#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 4.17 -0.29 2.12 -0.21 0.04 -4.91 119.66 120.58 2q42 s GLN 2 Ca 0.00 0.70 0.02 0.00 0.02 0.00 0.00 55.36 56.10 2q42 s GLN 2 Cb 0.00 -3.24 0.08 0.00 1.00 0.00 0.00 33.01 30.85 2q42 s GLN 2 CO 0.00 0.63 0.00 0.42 -2.12 0.00 0.00 175.29 174.23 2q42 s ILE 3 N -1.06 1.73 -0.28 1.08 1.01 -1.26 -0.65 121.20 121.77 2q42 s ILE 3 Ca 0.28 -1.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.14 2q42 s ILE 3 Cb -0.19 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 2q42 s ILE 3 CO 0.18 -0.36 0.21 -0.70 0.00 0.00 0.00 174.94 174.27 2q42 s GLU 4 N 1.24 3.96 0.17 2.79 2.12 0.27 -4.95 118.70 124.29 2q42 s GLU 4 Ca 0.02 -0.28 -0.30 0.00 0.36 0.00 0.00 54.97 54.77 2q42 s GLU 4 Cb -0.19 -3.66 -0.07 0.00 0.26 0.00 0.00 34.13 30.47 2q42 s GLU 4 CO -0.10 -0.19 1.05 -0.51 -0.54 0.00 0.00 175.26 174.97 2q42 s LEU 5 N 1.79 4.51 -0.27 2.70 1.02 -1.26 -1.13 118.68 126.04 2q42 s LEU 5 Ca 0.08 2.01 0.02 0.00 0.02 0.00 0.00 54.13 56.25 2q42 s LEU 5 Cb -0.16 -3.60 0.07 0.00 0.02 0.00 0.00 46.19 42.52 2q42 s LEU 5 CO 0.11 -0.13 -0.03 -0.69 0.02 0.00 0.00 176.35 175.62 2q42 s VAL 6 N -0.32 1.76 0.30 -1.59 1.01 -0.41 -4.94 120.40 116.20 2q42 s VAL 6 Ca 0.48 -1.56 -0.29 0.00 0.00 0.00 0.00 61.98 60.61 2q42 s VAL 6 Cb -0.28 -2.07 -0.10 0.00 0.00 0.00 0.00 36.38 33.93 2q42 s VAL 6 CO 0.34 -0.24 1.30 -2.84 0.00 0.00 0.00 175.10 173.66 2q42 s PRO 7 N 1.25 4.38 0.07 2.72 0.02 -1.26 -1.19 135.00 140.99 2q42 s PRO 7 Ca -0.02 2.17 0.01 0.00 0.02 0.00 0.00 61.00 63.18 2q42 s PRO 7 Cb -0.19 -3.10 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 2q42 s PRO 7 CO -0.08 -0.18 -0.06 0.00 -0.33 0.00 0.00 177.00 176.35 2q42 n LEU 9 N 0.31 0.00 0.05 0.00 4.77 -1.26 -1.33 117.00 119.54 2q42 n LEU 9 Ca -0.15 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.62 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 -0.07 0.50 -1.33 0.00 0.00 177.39 176.77 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 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 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 1.26 -0.17 -0.40 -2.27 0.00 0.00 179.45 177.86 2q42 n ASP 11 N -4.05 0.00 -4.87 4.20 5.68 -1.20 -5.04 116.55 111.27 2q42 n ASP 11 Ca -0.16 -1.35 -0.30 0.00 -0.50 0.00 0.00 54.79 52.48 2q42 n ASP 11 Cb 0.87 -0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 40.75 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 -0.35 6.50 -0.07 -1.12 -0.87 -0.45 -0.94 114.94 117.65 2q42 s ASN 12 Ca 0.00 1.21 0.05 0.00 -1.57 0.00 0.00 52.86 52.55 2q42 s ASN 12 Cb 0.00 -2.36 -0.00 0.00 -0.02 0.00 0.00 41.25 38.87 2q42 s ASN 12 CO 0.00 -0.48 -0.22 -0.31 -2.57 0.00 0.00 177.10 173.52 2q42 s TYR 13 N -2.50 2.24 0.34 2.20 2.02 -0.11 -1.05 117.35 120.49 2q42 s TYR 13 Ca 0.52 -0.77 0.06 0.00 -0.37 0.00 0.00 57.07 56.52 2q42 s TYR 13 Cb -0.10 -1.50 -0.01 0.00 -0.40 0.00 0.00 41.96 39.95 2q42 s TYR 13 CO 0.34 -0.28 0.48 0.00 -1.57 0.00 0.00 175.55 174.52 2q42 s ALA 14 N 0.12 4.21 -0.20 3.71 0.00 -0.33 -4.75 121.76 124.50 2q42 s ALA 14 Ca -0.10 -1.43 -0.03 0.00 0.00 0.00 0.00 51.96 50.41 2q42 s ALA 14 Cb -0.15 -1.71 0.06 0.00 0.00 0.00 0.00 23.12 21.33 2q42 s ALA 14 CO 0.05 -0.05 0.03 0.71 0.00 0.00 0.00 175.76 176.51 2q42 s TYR 15 N -2.19 1.14 -0.18 0.00 2.02 -0.41 -1.29 117.35 116.45 2q42 s TYR 15 Ca 0.45 -0.96 -0.24 0.00 -0.37 0.00 0.00 57.07 55.94 2q42 s TYR 15 Cb -0.10 -1.10 -0.02 0.00 -0.40 0.00 0.00 41.96 40.35 2q42 s TYR 15 CO 0.31 -0.64 0.79 0.42 -1.57 0.00 0.00 175.55 174.86 2q42 s ILE 16 N 1.82 4.91 -0.26 2.71 1.01 -0.28 -0.31 121.20 130.80 2q42 s ILE 16 Ca -0.01 1.53 -0.13 0.00 0.00 0.00 0.00 60.65 62.05 2q42 s ILE 16 Cb -0.17 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 2q42 s ILE 16 CO -0.09 0.04 0.27 -0.76 0.00 0.00 0.00 174.94 174.40 2q42 s LEU 17 N 2.15 4.06 -0.25 2.97 1.43 0.27 -0.57 118.68 128.75 2q42 s LEU 17 Ca 0.36 0.18 -0.05 0.00 -1.03 0.00 0.00 54.13 53.59 2q42 s LEU 17 Cb -0.16 -2.27 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 2q42 s LEU 17 CO 0.12 -0.07 0.02 -1.00 0.23 0.00 0.00 176.35 175.64 2q42 s HIS 18 N 1.65 3.05 0.43 0.29 3.76 0.17 -1.34 115.29 123.30 2q42 s HIS 18 Ca 0.11 -0.86 -0.23 0.00 -0.15 0.00 0.00 55.06 53.93 2q42 s HIS 18 Cb -0.15 -2.18 -0.08 0.00 1.11 0.00 0.00 32.58 31.28 2q42 s HIS 18 CO 0.09 -0.52 1.10 0.34 -0.85 0.00 0.00 174.74 174.90 2q42 s ASP 19 N 1.51 6.48 0.00 1.40 2.15 -0.46 -0.78 116.67 126.98 2q42 s ASP 19 Ca 0.05 2.16 0.23 0.00 0.43 0.00 0.00 52.55 55.42 2q42 s ASP 19 Cb -0.15 -2.59 0.58 0.00 -0.30 0.00 0.00 42.92 40.45 2q42 s ASP 19 CO 0.00 -0.69 1.50 -0.62 -0.17 0.00 0.00 175.17 175.19 2q42 n GLU 20 N -0.26 2.66 -0.00 4.34 1.02 -1.26 -3.37 120.64 123.77 2q42 n GLU 20 Ca 0.06 -2.55 -0.00 0.00 -0.02 0.00 0.00 57.16 54.65 2q42 n GLU 20 Cb 0.49 -1.55 -0.00 0.00 -0.02 0.00 0.00 31.44 30.35 2q42 n GLU 20 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2q42 n ASP 21 N 1.61 4.97 -0.04 1.62 2.03 -1.26 -4.81 116.55 120.66 2q42 n ASP 21 Ca 0.23 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.55 2q42 n ASP 21 Cb 0.62 0.68 0.00 0.00 -0.72 0.00 0.00 41.12 41.70 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 -1.83 0.00 -0.95 5.18 -2.24 -1.26 -4.98 114.28 108.20 2q42 n THR 22 Ca -0.00 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 2q42 n THR 22 Cb 0.33 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 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 0.52 0.31 3.73 3.38 0.00 -1.22 -4.94 105.19 106.97 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 -1.71 3.17 -0.08 2.61 2.01 -1.26 -4.82 115.64 115.56 2q42 s THR 24 Ca 0.00 0.91 0.05 0.00 0.31 0.00 0.00 61.69 62.96 2q42 s THR 24 Cb 0.00 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 2q42 s THR 24 CO 0.00 0.11 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.11 2q42 s VAL 25 N 0.50 2.14 0.21 3.82 1.01 -1.26 -1.35 120.40 125.47 2q42 s VAL 25 Ca 0.60 -1.02 0.10 0.00 0.00 0.00 0.00 61.98 61.66 2q42 s VAL 25 Cb -0.37 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2q42 s VAL 25 CO 0.35 0.56 -0.19 -0.83 0.00 0.00 0.00 175.10 175.00 2q42 s GLY 26 N 0.02 1.59 -0.04 4.51 0.00 -0.45 -0.52 107.32 112.43 2q42 s GLY 26 Ca -0.09 -1.65 0.03 0.00 0.00 0.00 0.00 44.72 43.02 2q42 s GLY 26 CO 0.06 -1.71 -0.14 0.54 0.00 0.00 0.00 173.10 171.84 2q42 s VAL 27 N -2.25 1.20 -0.23 1.40 0.11 0.06 0.98 120.40 121.67 2q42 s VAL 27 Ca 0.21 -0.57 -0.12 0.00 -2.93 0.00 0.00 61.98 58.57 2q42 s VAL 27 Cb -0.05 -1.05 -0.05 0.00 -1.53 0.00 0.00 36.38 33.71 2q42 s VAL 27 CO 0.09 0.35 0.22 -0.69 -3.33 0.00 0.00 175.10 171.75 2q42 s VAL 28 N 0.19 5.32 -1.14 2.04 1.01 0.58 -1.05 120.40 127.35 2q42 s VAL 28 Ca -0.05 0.32 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 2q42 s VAL 28 Cb -0.11 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 2q42 s VAL 28 CO 0.02 0.33 0.83 0.47 0.00 0.00 0.00 175.10 176.74 2q42 n ASP 29 N 4.26 -5.06 -4.56 3.32 8.00 0.27 -1.28 116.55 121.50 2q42 n ASP 29 Ca -0.13 -0.87 -0.32 0.00 0.71 0.00 0.00 54.79 54.18 2q42 n ASP 29 Cb 0.52 -4.16 -0.04 0.00 -0.02 0.00 0.00 41.12 37.42 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 -5.42 2.73 0.36 -0.24 0.04 -1.23 -4.27 135.00 126.98 2q42 s PRO 30 Ca 0.39 -0.19 0.12 0.00 0.04 0.00 0.00 61.00 61.36 2q42 s PRO 30 Cb -0.10 -4.91 0.91 0.00 0.04 0.00 0.00 34.50 30.45 2q42 s PRO 30 CO 0.81 -3.03 1.82 0.77 0.04 0.00 0.00 177.00 177.41 2q42 h SER 31 N 11.88 0.59 -5.05 6.66 0.02 -1.78 -0.12 113.55 125.76 2q42 h SER 31 Ca 0.01 0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 2q42 h SER 31 Cb 1.04 -0.05 -0.17 0.00 0.14 0.00 0.00 62.40 63.37 2q42 h SER 31 CO 1.24 0.23 -0.23 -1.83 -1.14 0.00 0.00 176.83 175.11 2q42 s GLU 32 N -5.63 0.82 0.07 3.45 -1.05 -1.26 -2.88 118.70 112.21 2q42 s GLU 32 Ca -0.10 -0.46 -0.15 0.00 -0.15 0.00 0.00 54.97 54.12 2q42 s GLU 32 Cb 0.24 0.36 -0.24 0.00 -0.44 0.00 0.00 34.13 34.04 2q42 s GLU 32 CO 0.79 -0.26 1.17 0.00 0.95 0.00 0.00 175.26 177.91 2q42 h ALA 33 N 3.23 0.10 -0.41 -0.84 0.00 -1.84 -3.39 119.26 116.11 2q42 h ALA 33 Ca -0.31 -0.70 0.08 0.00 0.00 0.00 0.00 54.91 53.97 2q42 h ALA 33 Cb 1.20 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 2q42 h ALA 33 CO 0.45 0.66 -0.37 1.49 0.00 0.00 0.00 179.25 181.48 2q42 h GLU 34 N 0.34 -0.27 -0.99 0.00 4.57 -1.98 -1.49 114.58 114.76 2q42 h GLU 34 Ca -0.14 0.02 0.09 0.00 -1.18 0.00 0.00 59.36 58.15 2q42 h GLU 34 Cb 1.70 0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 30.28 2q42 h GLU 34 CO 0.20 -0.18 0.63 -1.35 -1.18 0.00 0.00 179.01 177.14 2q42 h PRO 35 N -0.28 1.04 0.28 0.92 0.11 -1.93 0.45 132.00 132.59 2q42 h PRO 35 Ca 0.16 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 2q42 h PRO 35 Cb 0.56 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.44 2q42 h PRO 35 CO -0.56 0.69 -0.14 0.82 -0.21 0.00 0.00 178.00 178.60 2q42 h ILE 36 N 1.07 0.76 -0.38 4.15 1.08 -1.57 -0.86 117.51 121.76 2q42 h ILE 36 Ca 0.46 -0.38 0.07 0.00 -0.39 0.00 0.00 64.86 64.62 2q42 h ILE 36 Cb 0.32 0.97 -0.07 0.00 -3.07 0.00 0.00 36.82 34.98 2q42 h ILE 36 CO -0.21 0.08 -0.06 0.40 -0.69 0.00 0.00 178.15 177.67 2q42 h ILE 37 N -0.58 0.66 -0.80 -0.67 2.04 -0.87 0.43 117.51 117.71 2q42 h ILE 37 Ca -0.04 -0.01 0.11 0.00 1.00 0.00 0.00 64.86 65.92 2q42 h ILE 37 Cb 0.42 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 2q42 h ILE 37 CO 0.06 0.01 0.52 0.44 0.00 0.00 0.00 178.15 179.18 2q42 h ASP 38 N 0.03 0.63 0.90 1.72 3.32 0.05 0.80 116.42 123.87 2q42 h ASP 38 Ca 0.18 0.02 -0.21 0.00 0.02 0.00 0.00 57.03 57.04 2q42 h ASP 38 Cb 0.27 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2q42 h ASP 38 CO -0.36 0.36 -0.98 -1.28 -1.72 0.00 0.00 179.24 175.26 2q42 h SER 39 N 0.69 0.06 0.12 6.45 0.87 0.43 -3.30 113.55 118.87 2q42 h SER 39 Ca 0.37 -0.06 -0.20 0.00 -1.23 0.00 0.00 61.79 60.67 2q42 h SER 39 Cb 0.51 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2q42 h SER 39 CO -0.14 1.00 -0.76 -0.07 -0.53 0.00 0.00 176.83 176.32 2q42 h LEU 40 N 0.01 0.65 -2.29 2.23 3.38 0.15 -2.88 115.31 116.56 2q42 h LEU 40 Ca -0.02 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2q42 h LEU 40 Cb 1.71 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.26 2q42 h LEU 40 CO 0.13 1.20 -0.05 0.11 0.09 0.00 0.00 178.44 179.93 2q42 h LYS 41 N 0.37 0.00 0.60 1.13 1.79 -1.03 0.57 116.57 120.01 2q42 h LYS 41 Ca -0.04 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 2q42 h LYS 41 Cb 1.36 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.02 2q42 h LYS 41 CO 0.14 0.05 -0.29 -0.09 -1.08 0.00 0.00 179.45 178.18 2q42 h ARG 42 N 0.00 -0.77 0.00 3.15 2.43 -1.58 -3.00 114.38 114.61 2q42 h ARG 42 Ca -0.00 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2q42 h ARG 42 Cb 0.15 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2q42 h ARG 42 CO 0.01 -0.52 0.00 -1.13 -1.51 0.00 0.00 179.97 176.82 2q42 n SER 43 N -5.26 0.00 -2.61 -3.80 3.41 -1.07 -4.86 113.62 99.43 2q42 n SER 43 Ca -0.10 -0.14 -0.21 0.00 -0.26 0.00 0.00 58.87 58.16 2q42 n SER 43 Cb 0.32 -0.22 0.02 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.37 -0.46 3.53 5.00 0.00 0.16 -5.00 105.19 108.79 2q42 n GLY 44 Ca 0.11 0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 2q42 n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2q42 s ARG 45 N -5.36 1.90 0.30 1.61 0.52 -1.02 -5.03 118.95 111.87 2q42 s ARG 45 Ca 0.16 -1.53 0.00 0.00 -0.52 0.00 0.00 55.73 53.84 2q42 s ARG 45 Cb -0.07 -1.97 -0.04 0.00 0.52 0.00 0.00 34.95 33.39 2q42 s ARG 45 CO 0.20 0.37 0.50 1.21 0.02 0.00 0.00 175.30 177.60 2q42 s ASN 46 N -3.29 6.33 -0.31 0.23 3.84 -1.26 -4.62 114.94 115.86 2q42 s ASN 46 Ca 0.28 0.42 -0.23 0.00 0.21 0.00 0.00 52.86 53.54 2q42 s ASN 46 Cb -0.07 -2.02 -0.00 0.00 -0.55 0.00 0.00 41.25 38.62 2q42 s ASN 46 CO 0.16 -0.21 0.75 -0.22 -2.79 0.00 0.00 177.10 174.79 2q42 s LEU 47 N -4.01 4.10 -0.12 3.21 2.96 -1.26 -4.36 118.68 119.20 2q42 s LEU 47 Ca 0.39 0.61 -0.24 0.00 -0.22 0.00 0.00 54.13 54.67 2q42 s LEU 47 Cb -0.10 -3.02 -0.26 0.00 0.50 0.00 0.00 46.19 43.31 2q42 s LEU 47 CO 0.33 -0.59 0.67 0.74 -1.32 0.00 0.00 176.35 176.19 2q42 h THR 48 N 5.59 1.46 -3.97 3.68 2.02 -1.16 -3.32 112.91 117.21 2q42 h THR 48 Ca -0.25 -2.37 -0.40 0.00 0.77 0.00 0.00 66.41 64.16 2q42 h THR 48 Cb 1.10 3.05 -0.22 0.00 -1.74 0.00 0.00 68.15 70.34 2q42 h THR 48 CO 0.87 0.60 -0.78 -0.31 0.37 0.00 0.00 175.52 176.27 2q42 s TYR 49 N -2.33 1.13 -0.03 3.16 2.02 -0.88 -1.43 117.35 118.98 2q42 s TYR 49 Ca -0.20 -0.43 0.06 0.00 -0.37 0.00 0.00 57.07 56.13 2q42 s TYR 49 Cb 0.01 -0.65 -0.01 0.00 -0.40 0.00 0.00 41.96 40.91 2q42 s TYR 49 CO 0.72 0.03 -0.22 0.42 -1.57 0.00 0.00 175.55 174.93 2q42 s ILE 50 N -1.17 1.79 -0.05 2.71 1.01 -0.43 -0.76 121.20 124.30 2q42 s ILE 50 Ca -0.02 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.68 2q42 s ILE 50 Cb -0.09 -1.50 0.02 0.00 0.01 0.00 0.00 42.46 40.90 2q42 s ILE 50 CO 0.02 0.51 -0.02 -0.76 0.00 0.00 0.00 174.94 174.68 2q42 s LEU 51 N -0.32 1.12 -0.07 2.97 1.02 -0.22 -0.48 118.68 122.70 2q42 s LEU 51 Ca 0.03 -0.09 0.02 0.00 0.02 0.00 0.00 54.13 54.10 2q42 s LEU 51 Cb -0.11 -0.39 -0.03 0.00 0.02 0.00 0.00 46.19 45.69 2q42 s LEU 51 CO 0.01 -0.10 -0.11 0.20 0.02 0.00 0.00 176.35 176.37 2q42 s ASN 52 N 1.18 4.29 0.24 2.29 -0.87 -1.06 -0.57 114.94 120.44 2q42 s ASN 52 Ca -0.07 -0.15 0.18 0.00 -1.57 0.00 0.00 52.86 51.25 2q42 s ASN 52 Cb -0.14 -1.12 0.05 0.00 -0.02 0.00 0.00 41.25 40.02 2q42 s ASN 52 CO -0.02 0.32 1.26 0.71 -2.57 0.00 0.00 177.10 176.80 2q42 h THR 53 N 4.50 0.53 -2.27 1.60 1.35 -1.89 -3.41 112.91 113.32 2q42 h THR 53 Ca -0.43 -1.82 0.21 0.00 -0.55 0.00 0.00 66.41 63.82 2q42 h THR 53 Cb 1.17 2.14 -0.06 0.00 -1.73 0.00 0.00 68.15 69.67 2q42 h THR 53 CO 0.52 0.30 0.63 -1.38 -0.25 0.00 0.00 175.52 175.34 2q42 s HIS 54 N -3.04 -0.01 -0.92 4.73 -3.43 -1.26 -0.91 115.29 110.45 2q42 s HIS 54 Ca 0.02 -0.29 0.27 0.00 -0.80 0.00 0.00 55.06 54.26 2q42 s HIS 54 Cb 0.08 0.65 0.80 0.00 -1.43 0.00 0.00 32.58 32.68 2q42 s HIS 54 CO 0.76 -0.73 1.64 -2.39 -2.00 0.00 0.00 174.74 172.02 2q42 n HIS 55 N -0.62 0.17 -1.64 0.38 -0.00 -1.26 -4.68 115.22 107.57 2q42 n HIS 55 Ca -0.04 0.05 -0.37 0.00 -0.00 0.00 0.00 57.72 57.36 2q42 n HIS 55 Cb 0.60 -0.47 0.06 0.00 -0.00 0.00 0.00 29.99 30.18 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 -1.66 1.24 0.06 -1.40 8.25 -1.26 -4.70 115.22 115.75 2q42 n HIS 56 Ca 0.06 0.42 0.05 0.00 -0.26 0.00 0.00 57.72 57.99 2q42 n HIS 56 Cb 0.36 -2.18 0.47 0.00 1.12 0.00 0.00 29.99 29.76 2q42 n HIS 56 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 2q42 h TYR 57 N 0.40 0.40 0.00 4.41 3.20 -1.95 -0.34 116.97 123.08 2q42 h TYR 57 Ca -0.49 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.39 2q42 h TYR 57 Cb 1.35 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.49 2q42 h TYR 57 CO 0.39 0.25 0.00 -0.40 -1.64 0.00 0.00 178.16 176.76 2q42 n ASP 58 N -4.49 0.00 -0.00 -2.11 5.75 -1.26 -0.81 116.55 113.63 2q42 n ASP 58 Ca 0.02 -0.48 0.00 0.00 -0.01 0.00 0.00 54.79 54.32 2q42 n ASP 58 Cb 0.07 -0.08 -0.00 0.00 -1.03 0.00 0.00 41.12 40.07 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 -1.08 0.00 -0.39 2.11 8.25 -0.19 -3.92 115.22 119.99 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 0.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.21 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 -0.78 0.00 -0.08 1.59 -2.24 -0.85 -3.53 114.28 108.39 2q42 n THR 60 Ca 0.00 -0.24 0.17 0.00 -2.27 0.00 0.00 64.05 61.70 2q42 n THR 60 Cb 0.00 1.39 0.58 0.00 -2.10 0.00 0.00 70.33 70.20 2q42 n THR 60 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2q42 h GLY 61 N 0.00 0.40 0.37 3.38 0.00 -1.02 -1.82 103.07 104.38 2q42 h GLY 61 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2q42 h GLY 61 CO 0.00 0.04 -0.30 0.61 0.00 0.00 0.00 176.54 176.90 2q42 n GLY 62 N -1.57 -0.72 0.40 4.60 0.00 -0.06 -4.64 105.19 103.20 2q42 n GLY 62 Ca 0.12 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 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 1.00 -1.38 -0.51 1.61 4.21 -1.48 -1.65 115.58 117.36 2q42 h ASN 63 Ca 0.00 0.15 -0.05 0.00 1.21 0.00 0.00 56.30 57.61 2q42 h ASN 63 Cb 0.50 0.52 -0.03 0.00 -1.12 0.00 0.00 38.32 38.20 2q42 h ASN 63 CO 0.00 -0.44 0.14 -0.07 -1.29 0.00 0.00 177.43 175.77 2q42 h LEU 64 N -0.57 0.80 -0.21 1.61 3.38 -1.82 0.89 115.31 119.38 2q42 h LEU 64 Ca 0.01 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 2q42 h LEU 64 Cb 0.61 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2q42 h LEU 64 CO -0.29 0.78 -0.18 -0.08 0.09 0.00 0.00 178.44 178.76 2q42 h GLU 65 N 0.83 0.49 -0.56 1.13 4.81 -1.86 -0.07 114.58 119.36 2q42 h GLU 65 Ca 0.18 -0.25 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 2q42 h GLU 65 Cb 0.29 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2q42 h GLU 65 CO -0.00 0.82 0.09 -0.07 -0.73 0.00 0.00 179.01 179.11 2q42 h LEU 66 N 0.18 0.89 0.02 1.64 3.38 -0.90 -0.58 115.31 119.93 2q42 h LEU 66 Ca 0.04 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 2q42 h LEU 66 Cb 0.71 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2q42 h LEU 66 CO 0.05 0.93 -0.01 0.50 0.09 0.00 0.00 178.44 180.00 2q42 h LYS 67 N 0.83 -0.02 -0.92 1.13 3.64 -0.77 -1.11 116.57 119.35 2q42 h LYS 67 Ca 0.17 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2q42 h LYS 67 Cb 0.42 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.19 2q42 h LYS 67 CO 0.01 0.02 0.60 0.22 -2.27 0.00 0.00 179.45 178.04 2q42 h ASP 68 N -0.06 1.03 0.19 4.20 1.82 -0.85 0.13 116.42 122.87 2q42 h ASP 68 Ca -0.00 -0.02 -0.20 0.00 -0.39 0.00 0.00 57.03 56.42 2q42 h ASP 68 Cb 0.05 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 39.82 2q42 h ASP 68 CO 0.00 0.72 -0.79 -0.09 -1.61 0.00 0.00 179.24 177.47 2q42 h ARG 69 N 1.20 0.49 0.00 0.28 2.43 -0.89 -3.35 114.38 114.54 2q42 h ARG 69 Ca 0.35 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2q42 h ARG 69 Cb -0.08 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2q42 h ARG 69 CO -0.10 1.06 -1.00 0.66 -1.51 0.00 0.00 179.97 179.09 2q42 n TYR 70 N -3.84 0.00 -1.38 2.20 4.01 -0.44 -4.97 117.16 112.75 2q42 n TYR 70 Ca -0.06 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.63 2q42 n TYR 70 Cb 0.75 -0.10 -0.02 0.00 -0.31 0.00 0.00 39.34 39.65 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 1.43 0.65 3.75 2.72 0.00 0.43 -4.73 105.19 109.45 2q42 n GLY 71 Ca 0.01 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.22 2.13 -0.07 4.61 0.00 -1.16 -4.98 121.76 120.06 2q42 s ALA 72 Ca 0.00 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.35 2q42 s ALA 72 Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 2q42 s ALA 72 CO 0.00 -1.91 -0.08 0.15 0.00 0.00 0.00 175.76 173.93 2q42 s LYS 73 N -4.74 2.81 0.09 0.00 -0.14 -0.51 -4.72 119.74 112.53 2q42 s LYS 73 Ca 0.63 -0.56 -0.22 0.00 -1.36 0.00 0.00 55.97 54.46 2q42 s LYS 73 Cb -0.19 -2.59 -0.07 0.00 -1.68 0.00 0.00 37.83 33.30 2q42 s LYS 73 CO 0.55 0.62 0.66 0.08 -0.76 0.00 0.00 175.35 176.50 2q42 s VAL 74 N -0.69 4.63 -0.19 3.17 1.01 -1.26 -1.31 120.40 125.76 2q42 s VAL 74 Ca 0.10 1.43 -0.01 0.00 0.00 0.00 0.00 61.98 63.50 2q42 s VAL 74 Cb -0.11 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.31 2q42 s VAL 74 CO 0.02 0.51 -0.01 -0.63 0.00 0.00 0.00 175.10 174.98 2q42 s ILE 75 N -0.90 0.93 0.01 2.22 -1.09 0.36 -0.11 121.20 122.62 2q42 s ILE 75 Ca 0.32 -0.73 0.00 0.00 -2.23 0.00 0.00 60.65 58.01 2q42 s ILE 75 Cb -0.21 -1.28 -0.00 0.00 -1.58 0.00 0.00 42.46 39.39 2q42 s ILE 75 CO 0.22 -0.09 0.01 0.61 -1.23 0.00 0.00 174.94 174.46 2q42 n GLY 76 N 4.91 3.37 3.69 6.18 0.00 -0.67 -2.55 105.19 120.12 2q42 n GLY 76 Ca -0.10 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 -1.07 7.07 0.21 1.61 0.15 -1.26 0.54 113.70 120.95 2q42 s SER 77 Ca 0.01 1.82 -0.09 0.00 0.70 0.00 0.00 55.95 58.39 2q42 s SER 77 Cb -0.00 -2.56 0.22 0.00 -1.71 0.00 0.00 66.02 61.97 2q42 s SER 77 CO 0.01 -0.56 1.83 0.00 1.20 0.00 0.00 173.24 175.72 2q42 h ALA 78 N 7.38 0.93 0.00 5.45 0.00 -0.63 0.24 119.26 132.63 2q42 h ALA 78 Ca -0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2q42 h ALA 78 Cb 1.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2q42 h ALA 78 CO 0.87 0.15 0.11 -1.33 0.00 0.00 0.00 179.25 179.05 2q42 n MET 79 N -4.71 0.09 0.00 0.00 2.81 -1.26 -0.57 117.12 113.48 2q42 n MET 79 Ca 0.08 0.56 0.00 0.00 -1.81 0.00 0.00 57.70 56.53 2q42 n MET 79 Cb 0.13 -1.89 0.00 0.00 -0.71 0.00 0.00 33.22 30.75 2q42 n MET 79 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2q42 n ASP 80 N -1.96 1.68 -0.48 7.83 -0.08 0.69 -4.82 116.55 119.41 2q42 n ASP 80 Ca -0.01 -1.75 0.40 0.00 -1.51 0.00 0.00 54.79 51.92 2q42 n ASP 80 Cb 0.13 0.00 0.72 0.00 2.34 0.00 0.00 41.12 44.31 2q42 n ASP 80 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2q42 h LYS 81 N 0.00 0.06 -0.69 -0.67 3.64 0.73 0.49 116.57 120.14 2q42 h LYS 81 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2q42 h LYS 81 Cb 0.44 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2q42 h LYS 81 CO 0.00 0.04 0.00 -0.25 -2.27 0.00 0.00 179.45 176.97 2q42 n ASP 82 N -4.30 1.09 0.00 4.20 8.00 -1.26 -3.74 116.55 120.54 2q42 n ASP 82 Ca 0.35 -2.06 0.00 0.00 0.71 0.00 0.00 54.79 53.79 2q42 n ASP 82 Cb 1.50 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 42.23 2q42 n ASP 82 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2q42 n ARG 83 N -0.06 0.00 -3.21 -1.24 1.74 0.17 -5.03 116.66 109.04 2q42 n ARG 83 Ca 0.02 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.66 2q42 n ARG 83 Cb 0.25 -0.14 -0.06 0.00 -1.02 0.00 0.00 32.46 31.49 2q42 n ARG 83 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2q42 s ILE 84 N 0.00 4.96 0.07 0.55 -1.09 -1.19 -4.83 121.20 119.67 2q42 s ILE 84 Ca 0.00 -0.70 -0.35 0.00 -2.23 0.00 0.00 60.65 57.37 2q42 s ILE 84 Cb 0.00 -4.28 -0.15 0.00 -1.58 0.00 0.00 42.46 36.45 2q42 s ILE 84 CO 0.00 -0.79 1.53 -2.65 -1.23 0.00 0.00 174.94 171.81 2q42 n PRO 85 N 5.94 1.69 -1.08 2.79 -0.02 -1.26 -2.24 135.00 140.82 2q42 n PRO 85 Ca -0.08 0.61 -0.03 0.00 -2.02 0.00 0.00 63.50 61.98 2q42 n PRO 85 Cb 0.45 -2.33 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 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 3.25 0.47 3.66 -1.23 0.00 -1.26 -4.79 105.19 105.28 2q42 n GLY 86 Ca 0.19 -0.11 -0.49 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.46 0.15 -0.10 -0.61 3.06 -0.95 -4.16 119.36 114.28 2q42 n ILE 87 Ca -0.03 -0.03 -0.21 0.00 -2.50 0.00 0.00 62.75 59.99 2q42 n ILE 87 Cb 0.32 -1.42 -0.07 0.00 0.54 0.00 0.00 39.64 39.02 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 4.07 1.57 -4.39 9.51 8.00 0.84 -4.93 116.55 131.22 2q42 n ASP 88 Ca 0.19 0.27 -0.36 0.00 0.71 0.00 0.00 54.79 55.60 2q42 n ASP 88 Cb 0.25 -0.64 -0.13 0.00 -0.02 0.00 0.00 41.12 40.58 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 -2.45 3.47 -0.44 -1.24 1.75 -0.91 -5.04 119.30 114.44 2q42 s MET 89 Ca -0.29 -0.59 -0.23 0.00 -1.25 0.00 0.00 55.69 53.33 2q42 s MET 89 Cb 0.10 -3.25 0.02 0.00 2.84 0.00 0.00 34.83 34.55 2q42 s MET 89 CO 0.38 -0.24 0.80 0.00 -0.65 0.00 0.00 175.02 175.31 2q42 s ALA 90 N 1.56 3.31 0.08 4.11 0.00 -1.26 -1.67 121.76 127.88 2q42 s ALA 90 Ca 0.06 -0.92 -0.16 0.00 0.00 0.00 0.00 51.96 50.94 2q42 s ALA 90 Cb -0.15 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.43 2q42 s ALA 90 CO 0.02 -1.87 0.50 -0.51 0.00 0.00 0.00 175.76 173.90 2q42 s LEU 91 N 3.32 4.44 0.10 0.00 1.43 0.19 -4.48 118.68 123.67 2q42 s LEU 91 Ca 0.31 1.08 0.07 0.00 -1.03 0.00 0.00 54.13 54.56 2q42 s LEU 91 Cb -0.12 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 2q42 s LEU 91 CO 0.22 0.23 -0.12 -0.54 0.23 0.00 0.00 176.35 176.37 2q42 s LYS 92 N -1.44 2.08 0.10 1.70 1.02 -1.26 0.03 119.74 121.97 2q42 s LYS 92 Ca 0.31 -1.04 -0.34 0.00 0.02 0.00 0.00 55.97 54.92 2q42 s LYS 92 Cb -0.17 -2.27 -0.14 0.00 -0.52 0.00 0.00 37.83 34.73 2q42 s LYS 92 CO 0.17 0.51 1.62 -3.47 -0.92 0.00 0.00 175.35 173.27 2q42 n ASP 93 N 0.82 3.06 0.00 2.83 2.03 -1.26 -0.48 116.55 123.54 2q42 n ASP 93 Ca -0.14 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.23 2q42 n ASP 93 Cb 0.52 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 39.53 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 3.56 1.84 3.74 0.27 0.00 0.03 -4.98 105.19 109.65 2q42 n GLY 94 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.37 4.87 -0.10 1.61 1.01 0.37 -4.71 116.67 116.34 2q42 s ASP 95 Ca 0.00 2.50 -0.02 0.00 0.71 0.00 0.00 52.55 55.75 2q42 s ASP 95 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2q42 s ASP 95 CO 0.00 -1.82 -0.03 -0.75 0.21 0.00 0.00 175.17 172.78 2q42 s LYS 96 N -3.37 3.13 -0.02 8.23 2.20 -1.26 -0.85 119.74 127.80 2q42 s LYS 96 Ca 0.80 -0.49 0.02 0.00 -0.36 0.00 0.00 55.97 55.95 2q42 s LYS 96 Cb -0.34 -2.77 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 2q42 s LYS 96 CO 0.37 0.55 -0.08 -0.46 -0.36 0.00 0.00 175.35 175.36 2q42 s TRP 97 N -0.47 0.82 -0.28 4.03 -0.00 -0.17 -5.00 118.94 117.87 2q42 s TRP 97 Ca 0.08 -0.19 -0.10 0.00 -0.00 0.00 0.00 56.10 55.89 2q42 s TRP 97 Cb -0.12 -0.58 -0.04 0.00 -0.00 0.00 0.00 33.47 32.74 2q42 s TRP 97 CO 0.02 -0.07 0.16 -1.64 -0.00 0.00 0.00 176.95 175.42 2q42 s MET 98 N 0.10 3.76 -0.62 5.86 -1.94 -1.26 -2.00 119.30 123.20 2q42 s MET 98 Ca -0.01 -0.43 -0.19 0.00 -1.71 0.00 0.00 55.69 53.34 2q42 s MET 98 Cb -0.07 -3.57 0.10 0.00 2.01 0.00 0.00 34.83 33.31 2q42 s MET 98 CO 0.00 -0.23 0.75 0.12 -0.01 0.00 0.00 175.02 175.65 2q42 s PHE 99 N 1.70 2.99 -1.50 -0.03 5.36 -1.10 -4.23 117.98 121.17 2q42 s PHE 99 Ca 0.07 -0.96 -0.09 0.00 -0.96 0.00 0.00 56.93 54.98 2q42 s PHE 99 Cb -0.16 -4.05 0.07 0.00 -0.34 0.00 0.00 43.02 38.54 2q42 s PHE 99 CO 0.08 -1.33 0.72 0.00 -1.46 0.00 0.00 175.22 173.23 2q42 n ALA 100 N 6.42 -1.61 -1.11 11.12 0.00 -1.26 -1.27 120.51 132.80 2q42 n ALA 100 Ca -0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 53.44 53.28 2q42 n ALA 100 Cb 0.43 -2.94 -0.02 0.00 0.00 0.00 0.00 19.45 16.93 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 -1.69 0.65 3.56 0.00 0.00 -1.26 -4.99 105.19 101.47 2q42 n GLY 101 Ca -0.11 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.01 3.16 -0.23 1.61 4.02 -0.40 -5.06 115.29 116.37 2q42 s HIS 102 Ca 0.00 -0.11 -0.28 0.00 1.02 0.00 0.00 55.06 55.69 2q42 s HIS 102 Cb 0.00 -2.08 -0.04 0.00 -1.02 0.00 0.00 32.58 29.44 2q42 s HIS 102 CO 0.00 0.01 2.07 -2.00 1.02 0.00 0.00 174.74 175.84 2q42 s GLU 103 N 0.62 3.27 -0.16 1.40 2.12 -1.26 -2.70 118.70 121.98 2q42 s GLU 103 Ca 0.02 1.89 -0.02 0.00 0.36 0.00 0.00 54.97 57.22 2q42 s GLU 103 Cb -0.13 -4.30 -0.02 0.00 0.26 0.00 0.00 34.13 29.94 2q42 s GLU 103 CO 0.02 -1.94 -0.07 0.08 -0.54 0.00 0.00 175.26 172.80 2q42 s VAL 104 N 7.59 3.43 -0.17 3.70 1.01 -0.85 -3.65 120.40 131.47 2q42 s VAL 104 Ca 0.93 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 62.39 2q42 s VAL 104 Cb -0.30 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.58 2q42 s VAL 104 CO 0.35 0.49 -0.12 -1.00 0.00 0.00 0.00 175.10 174.82 2q42 s HIS 105 N 0.66 2.85 0.02 5.22 3.76 0.54 -1.00 115.29 127.34 2q42 s HIS 105 Ca -0.04 -1.00 -0.26 0.00 -0.15 0.00 0.00 55.06 53.61 2q42 s HIS 105 Cb -0.15 -1.96 -0.05 0.00 1.11 0.00 0.00 32.58 31.54 2q42 s HIS 105 CO 0.02 -0.48 0.80 0.08 -0.85 0.00 0.00 174.74 174.31 2q42 s VAL 106 N 1.00 4.79 -0.17 -0.90 1.01 -0.03 -1.44 120.40 124.66 2q42 s VAL 106 Ca -0.01 1.70 -0.00 0.00 0.00 0.00 0.00 61.98 63.66 2q42 s VAL 106 Cb -0.15 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 32.12 2q42 s VAL 106 CO -0.02 0.31 -0.08 -0.04 0.00 0.00 0.00 175.10 175.28 2q42 s MET 107 N 0.25 1.70 0.31 2.72 -1.94 -0.67 -0.79 119.30 120.88 2q42 s MET 107 Ca 0.41 -0.58 -0.29 0.00 -1.71 0.00 0.00 55.69 53.52 2q42 s MET 107 Cb -0.20 -2.08 -0.10 0.00 2.01 0.00 0.00 34.83 34.45 2q42 s MET 107 CO 0.23 -0.39 1.40 -0.51 -0.01 0.00 0.00 175.02 175.74 2q42 s ASP 108 N 1.56 6.63 -0.35 3.03 1.01 -1.26 -0.41 116.67 126.89 2q42 s ASP 108 Ca 0.01 2.77 0.15 0.00 0.71 0.00 0.00 52.55 56.19 2q42 s ASP 108 Cb -0.15 -2.64 0.40 0.00 1.01 0.00 0.00 42.92 41.54 2q42 s ASP 108 CO -0.08 -0.67 0.85 0.35 0.21 0.00 0.00 175.17 175.82 2q42 n THR 109 N 1.29 0.41 -1.23 -1.27 -2.24 0.12 -4.84 114.28 106.52 2q42 n THR 109 Ca 0.03 -3.76 -0.36 0.00 -2.27 0.00 0.00 64.05 57.69 2q42 n THR 109 Cb 0.41 0.23 0.08 0.00 -2.10 0.00 0.00 70.33 68.95 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 0.10 0.28 0.00 -0.78 -0.04 -1.24 -4.60 135.00 128.72 2q42 n PRO 110 Ca 0.17 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 2q42 n PRO 110 Cb 0.74 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 1.45 -0.10 0.18 0.55 0.00 -1.26 -3.60 105.19 102.41 2q42 n GLY 111 Ca 0.11 0.18 -0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 0.58 -4.25 1.61 -0.00 -1.81 -0.26 115.15 111.02 2q42 h HIS 112 Ca 0.00 -0.10 -0.25 0.00 -0.00 0.00 0.00 60.37 60.02 2q42 h HIS 112 Cb 0.00 -0.15 -0.15 0.00 -0.00 0.00 0.00 27.41 27.11 2q42 h HIS 112 CO 0.00 0.66 -0.63 0.95 -0.00 0.00 0.00 177.93 178.90 2q42 s THR 113 N -5.04 0.25 -0.25 6.26 -4.23 -1.26 -1.66 115.64 109.71 2q42 s THR 113 Ca -0.13 -1.97 -0.14 0.00 -1.18 0.00 0.00 61.69 58.26 2q42 s THR 113 Cb 0.08 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 2q42 s THR 113 CO 0.76 -0.20 0.35 -0.54 -0.54 0.00 0.00 174.62 174.45 2q42 s LYS 114 N -4.06 4.05 0.00 3.99 1.02 -1.26 -3.69 119.74 119.79 2q42 s LYS 114 Ca 0.32 0.02 0.00 0.00 0.02 0.00 0.00 55.97 56.34 2q42 s LYS 114 Cb 0.07 -3.62 0.00 0.00 -0.52 0.00 0.00 37.83 33.76 2q42 s LYS 114 CO 0.08 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 2q42 n GLY 115 N 4.52 1.93 3.72 -3.33 0.00 -1.26 -4.90 105.19 105.87 2q42 n GLY 115 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 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 2.63 -4.43 1.61 -0.00 -1.24 -4.73 115.22 109.06 2q42 n HIS 116 Ca 0.00 0.27 -0.22 0.00 -0.00 0.00 0.00 57.72 57.77 2q42 n HIS 116 Cb 0.00 -2.57 -0.10 0.00 -0.00 0.00 0.00 29.99 27.32 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 0.21 2.14 0.18 3.57 -4.36 -0.09 0.10 121.20 122.96 2q42 s ILE 117 Ca 0.68 -2.30 0.11 0.00 -0.26 0.00 0.00 60.65 58.87 2q42 s ILE 117 Cb -0.55 -2.25 -0.04 0.00 1.25 0.00 0.00 42.46 40.87 2q42 s ILE 117 CO 0.46 -0.44 -0.23 -0.44 0.24 0.00 0.00 174.94 174.52 2q42 s SER 118 N -3.45 3.29 -0.21 4.36 0.01 0.46 -4.65 113.70 113.51 2q42 s SER 118 Ca 0.28 -0.86 0.02 0.00 1.31 0.00 0.00 55.95 56.69 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 0.12 0.10 -0.13 -0.76 0.41 0.00 0.00 173.24 172.97 2q42 s LEU 119 N -2.63 2.57 -0.22 2.44 1.43 0.00 -1.68 118.68 120.60 2q42 s LEU 119 Ca 0.19 -0.96 -0.09 0.00 -1.03 0.00 0.00 54.13 52.24 2q42 s LEU 119 Cb -0.08 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 2q42 s LEU 119 CO 0.09 -0.11 0.12 -0.47 0.23 0.00 0.00 176.35 176.21 2q42 s TYR 120 N 1.28 3.27 -0.83 0.29 5.04 -0.52 -1.12 117.35 124.76 2q42 s TYR 120 Ca -0.02 0.11 -0.02 0.00 -2.44 0.00 0.00 57.07 54.71 2q42 s TYR 120 Cb -0.16 -2.21 0.21 0.00 0.35 0.00 0.00 41.96 40.14 2q42 s TYR 120 CO -0.09 0.05 0.70 -0.06 -1.34 0.00 0.00 175.55 174.81 2q42 s PHE 121 N 0.92 3.78 0.55 4.97 0.08 0.15 -0.34 117.98 128.09 2q42 s PHE 121 Ca 0.06 -2.96 0.30 0.00 0.12 0.00 0.00 56.93 54.45 2q42 s PHE 121 Cb -0.13 -3.22 1.47 0.00 -0.57 0.00 0.00 43.02 40.56 2q42 s PHE 121 CO 0.03 -0.76 1.90 -1.00 -0.10 0.00 0.00 175.22 175.29 2q42 h PRO 122 N 6.23 0.00 -0.19 0.24 0.13 -1.78 0.83 132.00 137.45 2q42 h PRO 122 Ca 0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.17 2q42 h PRO 122 Cb 0.84 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 2q42 h PRO 122 CO 0.82 0.00 -0.24 0.78 -0.23 0.00 0.00 178.00 179.13 2q42 h GLY 123 N 0.00 0.38 -2.49 1.56 0.00 -1.92 -2.61 103.07 97.99 2q42 h GLY 123 Ca 0.36 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2q42 h GLY 123 CO -0.00 0.27 0.00 1.44 0.00 0.00 0.00 176.54 178.24 2q42 n SER 124 N -4.15 4.30 -4.23 0.19 7.64 0.23 -4.95 113.62 112.65 2q42 n SER 124 Ca -0.01 -2.47 -0.30 0.00 1.01 0.00 0.00 58.87 57.11 2q42 n SER 124 Cb 0.37 -0.51 -0.08 0.00 -1.01 0.00 0.00 64.21 62.98 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 0.73 -1.54 -4.32 1.43 1.74 -0.84 -4.83 116.66 109.03 2q42 n ARG 125 Ca 0.23 0.17 -0.19 0.00 -0.77 0.00 0.00 57.85 57.29 2q42 n ARG 125 Cb 0.81 -3.83 -0.15 0.00 -1.02 0.00 0.00 32.46 28.28 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 -4.28 0.72 -0.04 7.54 0.00 -1.09 0.29 121.76 124.90 2q42 s ALA 126 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.67 2q42 s ALA 126 Cb -0.00 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.90 2q42 s ALA 126 CO 0.97 0.14 -0.07 -1.50 0.00 0.00 0.00 175.76 175.30 2q42 s ILE 127 N 0.02 0.73 -0.33 0.00 2.07 -0.22 0.31 121.20 123.79 2q42 s ILE 127 Ca -0.00 -0.27 -0.16 0.00 -1.41 0.00 0.00 60.65 58.81 2q42 s ILE 127 Cb -0.06 -0.70 -0.01 0.00 0.13 0.00 0.00 42.46 41.82 2q42 s ILE 127 CO -0.00 0.26 0.43 -0.36 -1.91 0.00 0.00 174.94 173.35 2q42 s PHE 128 N 0.64 3.20 -1.38 3.50 0.08 -0.28 -0.77 117.98 122.98 2q42 s PHE 128 Ca -0.10 0.13 0.15 0.00 0.12 0.00 0.00 56.93 57.23 2q42 s PHE 128 Cb -0.13 -2.76 0.40 0.00 -0.57 0.00 0.00 43.02 39.96 2q42 s PHE 128 CO 0.01 -0.44 1.33 0.25 -0.10 0.00 0.00 175.22 176.26 2q42 n THR 129 N 5.29 0.90 -1.85 0.64 -2.24 -0.62 -0.82 114.28 115.59 2q42 n THR 129 Ca -0.07 -0.95 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 2q42 n THR 129 Cb 0.49 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.94 2.66 1.69 3.38 0.00 -1.26 -0.56 105.19 112.03 2q42 n GLY 130 Ca 0.16 -0.22 0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 1.22 5.05 0.12 1.61 8.00 -1.26 0.19 116.55 131.48 2q42 n ASP 131 Ca 0.00 -2.56 -0.05 0.00 0.71 0.00 0.00 54.79 52.90 2q42 n ASP 131 Cb 0.00 -0.61 -0.02 0.00 -0.02 0.00 0.00 41.12 40.46 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 4.16 0.00 -3.66 -3.53 2.02 -1.17 0.11 112.91 110.85 2q42 h THR 132 Ca 0.00 -0.05 -0.67 0.00 0.77 0.00 0.00 66.41 66.46 2q42 h THR 132 Cb 1.59 0.00 -0.24 0.00 -1.74 0.00 0.00 68.15 67.76 2q42 h THR 132 CO 0.30 0.00 -0.75 -0.32 0.37 0.00 0.00 175.52 175.12 2q42 s MET 133 N -3.36 2.95 0.00 6.66 -2.45 -1.24 -1.82 119.30 120.04 2q42 s MET 133 Ca -0.05 -0.65 0.00 0.00 -1.25 0.00 0.00 55.69 53.74 2q42 s MET 133 Cb 0.00 -2.55 0.00 0.00 1.25 0.00 0.00 34.83 33.54 2q42 s MET 133 CO 0.14 0.46 0.00 1.19 1.05 0.00 0.00 175.02 177.85 2q42 n PHE 134 N 2.82 -0.77 -2.92 4.11 3.72 -0.50 -4.64 117.46 119.29 2q42 n PHE 134 Ca -0.18 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.79 2q42 n PHE 134 Cb 0.53 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.02 2q42 n PHE 134 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2q42 s SER 135 N -0.72 6.40 -0.42 4.37 0.01 -1.26 -3.83 113.70 118.25 2q42 s SER 135 Ca 0.00 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2q42 s SER 135 Cb 0.00 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.83 2q42 s SER 135 CO 0.00 -1.02 0.00 0.18 0.41 0.00 0.00 173.24 172.81 2q42 n LEU 136 N 6.95 -0.27 0.00 2.44 4.77 -1.26 -4.26 117.00 125.37 2q42 n LEU 136 Ca 0.02 0.10 -0.07 0.00 -0.03 0.00 0.00 56.01 56.03 2q42 n LEU 136 Cb 0.48 -0.97 0.02 0.00 -2.33 0.00 0.00 43.42 40.61 2q42 n LEU 136 CO 0.61 -0.22 0.38 -0.24 -1.33 0.00 0.00 177.39 176.59 2q42 n SER 137 N 1.22 -1.67 -4.35 -1.43 2.88 -1.25 -4.42 113.62 104.59 2q42 n SER 137 Ca -0.04 -2.20 -0.19 0.00 -1.33 0.00 0.00 58.87 55.11 2q42 n SER 137 Cb 0.14 2.80 -0.10 0.00 -0.75 0.00 0.00 64.21 66.29 2q42 n SER 137 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2q42 s GLY 139 N -3.40 2.44 0.77 0.00 0.00 0.38 -4.83 107.32 102.68 2q42 s GLY 139 Ca 0.37 0.74 -0.14 0.00 0.00 0.00 0.00 44.72 45.69 2q42 s GLY 139 CO 0.15 1.10 1.20 0.54 0.00 0.00 0.00 173.10 176.09 2q42 s LYS 140 N -3.65 1.88 -1.13 2.90 1.02 -1.26 -4.72 119.74 114.77 2q42 s LYS 140 Ca 0.71 1.72 -0.09 0.00 0.02 0.00 0.00 55.97 58.33 2q42 s LYS 140 Cb -0.24 -1.81 0.26 0.00 -0.52 0.00 0.00 37.83 35.53 2q42 s LYS 140 CO 0.35 -2.02 1.29 1.28 -0.92 0.00 0.00 175.35 175.32 2q42 n LEU 141 N -3.07 5.74 0.17 3.17 4.77 -1.26 -4.13 117.00 122.39 2q42 n LEU 141 Ca 0.13 -4.97 0.03 0.00 -0.03 0.00 0.00 56.01 51.18 2q42 n LEU 141 Cb 0.51 -1.46 0.28 0.00 -2.33 0.00 0.00 43.42 40.42 2q42 n LEU 141 CO 0.48 1.33 0.62 -0.26 -1.33 0.00 0.00 177.39 178.23 2q42 h PHE 142 N 6.40 0.00 0.00 -1.77 0.04 -1.60 -3.39 116.94 116.63 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 0.80 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.95 2q42 h PHE 142 CO 0.89 0.45 -0.41 0.39 -0.60 0.00 0.00 178.31 179.03 2q42 n GLU 143 N -3.65 3.45 -3.98 1.51 1.02 -0.66 -4.98 120.64 113.34 2q42 n GLU 143 Ca -0.01 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.87 2q42 n GLU 143 Cb 0.54 -0.70 -0.02 0.00 -0.02 0.00 0.00 31.44 31.23 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 -0.87 2.42 0.41 0.62 0.00 -0.11 -4.66 107.32 105.13 2q42 s GLY 144 Ca 0.00 -1.29 0.02 0.00 0.00 0.00 0.00 44.72 43.45 2q42 s GLY 144 CO 0.00 -1.95 0.61 -0.51 0.00 0.00 0.00 173.10 171.25 2q42 s THR 145 N -2.75 4.03 0.34 0.90 -4.23 -1.26 -4.84 115.64 107.83 2q42 s THR 145 Ca 0.33 -0.65 0.03 0.00 -1.18 0.00 0.00 61.69 60.21 2q42 s THR 145 Cb -0.01 -3.46 0.19 0.00 1.34 0.00 0.00 72.50 70.55 2q42 s THR 145 CO 0.20 -0.28 1.91 -0.65 -0.54 0.00 0.00 174.62 175.26 2q42 h PRO 146 N 0.56 0.63 -0.52 3.99 0.11 -1.95 -1.32 132.00 133.49 2q42 h PRO 146 Ca -0.46 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 65.54 2q42 h PRO 146 Cb 1.25 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2q42 h PRO 146 CO 0.56 0.57 0.32 -0.22 -0.21 0.00 0.00 178.00 179.01 2q42 h LYS 147 N 0.62 0.71 -0.41 1.05 3.64 -1.94 0.47 116.57 120.71 2q42 h LYS 147 Ca 0.14 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2q42 h LYS 147 Cb 0.21 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2q42 h LYS 147 CO -0.01 0.52 0.18 1.96 -2.27 0.00 0.00 179.45 179.83 2q42 h GLN 148 N 0.70 0.61 -0.66 1.90 4.20 -1.74 -2.01 115.11 118.12 2q42 h GLN 148 Ca 0.19 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 2q42 h GLN 148 Cb -0.01 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 2q42 h GLN 148 CO -0.04 0.56 0.27 1.98 -0.67 0.00 0.00 178.83 180.93 2q42 h MET 149 N 0.53 0.96 -0.24 1.46 4.05 -0.97 0.96 114.93 121.69 2q42 h MET 149 Ca 0.14 -0.16 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 2q42 h MET 149 Cb 0.17 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 2q42 h MET 149 CO -0.01 0.78 0.05 1.25 0.23 0.00 0.00 176.91 179.20 2q42 h LEU 150 N 0.95 0.37 -1.90 3.39 5.85 -0.64 0.55 115.31 123.88 2q42 h LEU 150 Ca 0.22 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 2q42 h LEU 150 Cb 0.18 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 2q42 h LEU 150 CO -0.02 0.53 0.05 0.00 -0.34 0.00 0.00 178.44 178.65 2q42 h ALA 151 N 0.86 1.93 -0.03 1.25 0.00 -0.87 0.41 119.26 122.82 2q42 h ALA 151 Ca 0.07 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2q42 h ALA 151 Cb 0.31 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2q42 h ALA 151 CO 0.00 0.06 -0.45 0.77 0.00 0.00 0.00 179.25 179.64 2q42 h SER 152 N 0.11 0.44 0.11 0.00 0.02 -0.13 -1.70 113.55 112.39 2q42 h SER 152 Ca 0.03 -0.73 -0.10 0.00 -0.84 0.00 0.00 61.79 60.16 2q42 h SER 152 Cb 0.00 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2q42 h SER 152 CO -0.01 1.10 -0.33 -0.07 -1.14 0.00 0.00 176.83 176.39 2q42 h LEU 153 N -0.18 0.33 -0.77 5.07 3.38 -0.25 -1.90 115.31 120.99 2q42 h LEU 153 Ca -0.05 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 2q42 h LEU 153 Cb 1.15 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 2q42 h LEU 153 CO 0.09 0.65 -0.06 1.56 0.09 0.00 0.00 178.44 180.77 2q42 h GLN 154 N 0.28 0.87 -0.08 1.13 4.20 -0.19 0.13 115.11 121.46 2q42 h GLN 154 Ca 0.04 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 2q42 h GLN 154 Cb 0.72 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 2q42 h GLN 154 CO 0.06 0.91 0.03 0.87 -0.67 0.00 0.00 178.83 180.03 2q42 h LYS 155 N 0.80 0.11 -0.74 1.46 1.57 -0.74 -1.75 116.57 117.28 2q42 h LYS 155 Ca 0.14 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2q42 h LYS 155 Cb 0.56 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.81 2q42 h LYS 155 CO 0.03 0.21 0.46 0.82 -0.57 0.00 0.00 179.45 180.40 2q42 h ILE 156 N -0.01 1.20 0.00 1.86 2.04 -1.21 -2.41 117.51 118.99 2q42 h ILE 156 Ca 0.03 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.46 2q42 h ILE 156 Cb 0.14 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 2q42 h ILE 156 CO -0.00 0.21 0.00 0.35 0.00 0.00 0.00 178.15 178.70 2q42 n THR 157 N -4.53 0.52 1.44 -0.27 -2.24 0.43 -2.39 114.28 107.23 2q42 n THR 157 Ca 0.07 0.09 0.15 0.00 -2.27 0.00 0.00 64.05 62.08 2q42 n THR 157 Cb 0.04 -0.76 0.76 0.00 -2.10 0.00 0.00 70.33 68.28 2q42 n THR 157 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2q42 n SER 158 N -1.64 0.00 -4.82 3.42 7.64 -0.68 -4.80 113.62 112.75 2q42 n SER 158 Ca 0.05 -0.17 -0.30 0.00 1.01 0.00 0.00 58.87 59.45 2q42 n SER 158 Cb 0.27 -0.27 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 2q42 n SER 158 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2q42 s LEU 159 N -2.55 2.83 0.53 -3.43 1.43 -1.01 -4.99 118.68 111.49 2q42 s LEU 159 Ca 0.29 1.41 -0.22 0.00 -1.03 0.00 0.00 54.13 54.58 2q42 s LEU 159 Cb 0.20 -4.14 -0.06 0.00 0.03 0.00 0.00 46.19 42.22 2q42 s LEU 159 CO 0.45 -1.71 1.19 -2.65 0.23 0.00 0.00 176.35 173.86 2q42 n PRO 160 N -3.28 1.45 0.32 1.29 -0.02 -1.26 -4.83 135.00 128.68 2q42 n PRO 160 Ca 0.07 0.53 0.20 0.00 -2.02 0.00 0.00 63.50 62.29 2q42 n PRO 160 Cb 0.55 -2.36 1.11 0.00 -0.02 0.00 0.00 33.50 32.78 2q42 n PRO 160 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2q42 h ASP 161 N 1.27 0.00 -0.33 2.55 3.32 -1.94 -1.39 116.42 119.90 2q42 h ASP 161 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2q42 h ASP 161 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2q42 h ASP 161 CO 0.56 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.18 2q42 n ASP 162 N -3.33 3.48 -4.71 6.45 5.68 -1.26 -2.29 116.55 120.57 2q42 n ASP 162 Ca -0.03 -2.46 -0.41 0.00 -0.50 0.00 0.00 54.79 51.39 2q42 n ASP 162 Cb 0.09 -0.57 -0.04 0.00 -1.14 0.00 0.00 41.12 39.47 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 -1.92 4.92 0.29 2.12 2.01 -0.53 -4.91 115.64 117.63 2q42 s THR 163 Ca 0.30 1.86 -0.24 0.00 0.31 0.00 0.00 61.69 63.92 2q42 s THR 163 Cb 0.22 -4.23 -0.09 0.00 0.01 0.00 0.00 72.50 68.41 2q42 s THR 163 CO 0.10 0.19 0.87 -0.44 -0.69 0.00 0.00 174.62 174.65 2q42 s SER 164 N 0.91 7.22 -0.25 3.53 0.01 0.14 -2.10 113.70 123.17 2q42 s SER 164 Ca 0.47 1.68 0.02 0.00 1.31 0.00 0.00 55.95 59.43 2q42 s SER 164 Cb -0.20 -2.52 0.06 0.00 0.21 0.00 0.00 66.02 63.57 2q42 s SER 164 CO 0.25 -0.05 -0.08 -0.63 0.41 0.00 0.00 173.24 173.14 2q42 s ILE 165 N -1.61 1.83 -0.36 1.44 1.01 -0.06 -1.05 121.20 122.39 2q42 s ILE 165 Ca 0.48 -1.41 -0.11 0.00 0.00 0.00 0.00 60.65 59.61 2q42 s ILE 165 Cb -0.17 -2.02 0.02 0.00 0.01 0.00 0.00 42.46 40.29 2q42 s ILE 165 CO 0.22 -0.07 0.20 -0.31 0.00 0.00 0.00 174.94 174.99 2q42 s TYR 166 N 1.26 3.23 0.39 3.97 2.02 0.05 -1.97 117.35 126.29 2q42 s TYR 166 Ca -0.07 -0.80 0.08 0.00 -0.37 0.00 0.00 57.07 55.91 2q42 s TYR 166 Cb -0.19 -2.43 -0.05 0.00 -0.40 0.00 0.00 41.96 38.88 2q42 s TYR 166 CO -0.06 -0.58 0.12 0.00 -1.57 0.00 0.00 175.55 173.46 2q42 h GLY 168 N 1.57 1.49 -2.55 0.00 0.00 -0.52 -3.41 103.07 99.65 2q42 h GLY 168 Ca -0.43 -0.11 -0.25 0.00 0.00 0.00 0.00 47.33 46.54 2q42 h GLY 168 CO 0.70 -0.33 -0.60 0.30 0.00 0.00 0.00 176.54 176.60 2q42 s HIS 169 N -5.89 1.18 -1.06 5.60 3.76 -1.26 -0.93 115.29 116.69 2q42 s HIS 169 Ca -0.12 -1.39 -0.07 0.00 -0.15 0.00 0.00 55.06 53.34 2q42 s HIS 169 Cb 0.26 -0.56 0.26 0.00 1.11 0.00 0.00 32.58 33.66 2q42 s HIS 169 CO 0.78 -0.66 1.03 -2.00 -0.85 0.00 0.00 174.74 173.04 2q42 s GLU 170 N -4.11 3.97 0.00 1.40 2.56 -0.11 -4.77 118.70 117.64 2q42 s GLU 170 Ca 0.39 -3.25 0.14 0.00 0.00 0.00 0.00 54.97 52.25 2q42 s GLU 170 Cb 0.07 -4.40 0.30 0.00 2.00 0.00 0.00 34.13 32.09 2q42 s GLU 170 CO 0.13 -1.25 1.20 0.66 -0.56 0.00 0.00 175.26 175.44 2q42 n TYR 171 N 2.58 0.39 -0.12 5.30 4.01 -1.26 -4.79 117.16 123.27 2q42 n TYR 171 Ca 0.23 -0.32 0.02 0.00 -0.16 0.00 0.00 57.90 57.67 2q42 n TYR 171 Cb 0.38 -0.01 0.32 0.00 -0.31 0.00 0.00 39.34 39.72 2q42 n TYR 171 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2q42 h THR 172 N 2.73 1.16 0.60 -0.72 2.02 -1.86 -1.08 112.91 115.76 2q42 h THR 172 Ca 0.00 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 2q42 h THR 172 Cb 0.73 0.32 0.01 0.00 -1.74 0.00 0.00 68.15 67.47 2q42 h THR 172 CO 0.00 0.16 -0.29 0.25 0.37 0.00 0.00 175.52 176.01 2q42 h LEU 173 N 0.80 -0.69 -1.29 2.58 5.85 -1.89 0.28 115.31 120.96 2q42 h LEU 173 Ca 0.21 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 2q42 h LEU 173 Cb -0.06 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2q42 h LEU 173 CO -0.04 -0.34 0.24 -1.28 -0.34 0.00 0.00 178.44 176.67 2q42 h SER 174 N -1.06 0.65 -0.82 1.25 0.87 -1.94 0.01 113.55 112.52 2q42 h SER 174 Ca -0.08 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.42 2q42 h SER 174 Cb 0.67 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.43 2q42 h SER 174 CO 0.14 0.57 0.54 0.78 -0.53 0.00 0.00 176.83 178.33 2q42 h ASN 175 N 0.73 0.94 0.50 6.23 4.21 -0.96 -1.90 115.58 125.33 2q42 h ASN 175 Ca 0.18 -0.02 -0.08 0.00 1.21 0.00 0.00 56.30 57.59 2q42 h ASN 175 Cb 0.09 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.05 2q42 h ASN 175 CO -0.02 0.68 -0.36 0.77 -1.29 0.00 0.00 177.43 177.21 2q42 h SER 176 N 1.11 0.00 -0.36 5.81 4.64 0.15 -2.10 113.55 122.81 2q42 h SER 176 Ca 0.30 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.53 2q42 h SER 176 Cb -0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 2q42 h SER 176 CO -0.07 0.36 -0.15 0.11 -0.87 0.00 0.00 176.83 176.21 2q42 h LYS 177 N 0.00 0.74 -0.28 4.77 1.57 -0.87 -1.56 116.57 120.93 2q42 h LYS 177 Ca -0.00 -0.31 -0.05 0.00 -1.87 0.00 0.00 60.65 58.42 2q42 h LYS 177 Cb 0.70 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2q42 h LYS 177 CO 0.05 0.92 -0.00 0.35 -0.57 0.00 0.00 179.45 180.19 2q42 h PHE 178 N 0.52 0.54 -0.71 -1.35 3.57 -1.34 -2.17 116.94 116.01 2q42 h PHE 178 Ca 0.08 -0.10 0.08 0.00 3.53 0.00 0.00 57.97 61.57 2q42 h PHE 178 Cb 0.68 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.22 2q42 h PHE 178 CO 0.06 0.65 0.37 0.00 -2.23 0.00 0.00 178.31 177.16 2q42 h ALA 179 N 0.83 0.97 0.00 2.41 0.00 -1.27 -0.60 119.26 121.60 2q42 h ALA 179 Ca 0.08 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2q42 h ALA 179 Cb 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2q42 h ALA 179 CO 0.01 0.00 -0.28 -0.07 0.00 0.00 0.00 179.25 178.92 2q42 h LEU 180 N 0.65 0.00 -0.26 0.00 3.38 -1.15 0.21 115.31 118.14 2q42 h LEU 180 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2q42 h LEU 180 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2q42 h LEU 180 CO -0.24 0.28 0.00 -1.54 0.09 0.00 0.00 178.44 177.04 2q42 n SER 181 N -3.70 0.28 -0.04 -0.43 3.41 -0.25 -3.02 113.62 109.86 2q42 n SER 181 Ca -0.01 0.56 -0.04 0.00 -0.26 0.00 0.00 58.87 59.12 2q42 n SER 181 Cb 0.39 -0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 63.65 2q42 n SER 181 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2q42 n LEU 182 N -1.81 0.08 -3.18 1.04 4.77 -0.44 -4.84 117.00 112.61 2q42 n LEU 182 Ca 0.03 -0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.81 2q42 n LEU 182 Cb 0.21 0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 2q42 n LEU 182 CO 0.17 0.22 -0.22 1.21 -1.33 0.00 0.00 177.39 177.44 2q42 n GLU 183 N -2.33 1.04 0.31 3.23 2.13 -0.07 -3.83 120.64 121.13 2q42 n GLU 183 Ca -0.14 -3.44 0.19 0.00 0.66 0.00 0.00 57.16 54.43 2q42 n GLU 183 Cb 0.78 -1.62 1.03 0.00 0.27 0.00 0.00 31.44 31.90 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 3.26 0.00 0.00 5.31 0.13 -1.78 -2.60 132.00 136.32 2q42 h PRO 184 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2q42 h PRO 184 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2q42 h PRO 184 CO 0.51 0.01 -0.33 -0.91 -0.23 0.00 0.00 178.00 177.05 2q42 h ASN 185 N 0.00 0.00 -2.60 1.44 4.21 -1.92 -3.43 115.58 113.28 2q42 h ASN 185 Ca -0.00 -0.09 -0.55 0.00 1.21 0.00 0.00 56.30 56.86 2q42 h ASN 185 Cb 0.06 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.23 2q42 h ASN 185 CO 0.00 0.05 1.26 0.21 -1.29 0.00 0.00 177.43 177.65 2q42 s ASN 186 N -4.59 5.82 0.27 5.81 3.84 -0.98 -4.82 114.94 120.29 2q42 s ASN 186 Ca 0.08 0.95 0.25 0.00 0.21 0.00 0.00 52.86 54.35 2q42 s ASN 186 Cb 0.12 -2.53 0.69 0.00 -0.55 0.00 0.00 41.25 38.98 2q42 s ASN 186 CO 0.67 -1.83 1.73 -0.33 -2.79 0.00 0.00 177.10 174.55 2q42 h GLU 187 N 12.99 0.00 -0.04 0.43 5.08 -1.89 -2.69 114.58 128.45 2q42 h GLU 187 Ca -0.30 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.92 2q42 h GLU 187 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2q42 h GLU 187 CO 1.09 0.00 -0.60 0.28 -1.00 0.00 0.00 179.01 178.78 2q42 h VAL 188 N 0.00 1.40 -0.16 3.13 2.07 -1.92 -2.47 116.25 118.30 2q42 h VAL 188 Ca 0.00 -2.01 -0.19 0.00 0.82 0.00 0.00 66.70 65.32 2q42 h VAL 188 Cb 0.80 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 2q42 h VAL 188 CO 0.00 0.58 -0.69 0.25 0.02 0.00 0.00 177.57 177.74 2q42 h LEU 189 N 0.11 0.76 -0.35 2.57 5.85 -1.79 -0.77 115.31 121.68 2q42 h LEU 189 Ca -0.01 -0.47 0.02 0.00 0.84 0.00 0.00 57.88 58.27 2q42 h LEU 189 Cb 1.09 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 2q42 h LEU 189 CO 0.09 1.23 0.19 1.56 -0.34 0.00 0.00 178.44 181.17 2q42 h GLN 190 N 0.47 0.38 -0.20 1.25 4.20 -1.33 0.22 115.11 120.09 2q42 h GLN 190 Ca -0.02 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 2q42 h GLN 190 Cb 1.28 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.97 2q42 h GLN 190 CO 0.13 0.25 -0.19 1.03 -0.67 0.00 0.00 178.83 179.39 2q42 h SER 191 N 0.39 0.52 -0.56 1.46 0.87 -1.44 -1.99 113.55 112.80 2q42 h SER 191 Ca 0.14 -0.47 -0.00 0.00 -1.23 0.00 0.00 61.79 60.23 2q42 h SER 191 Cb 0.03 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 2q42 h SER 191 CO -0.08 0.88 0.33 0.22 -0.53 0.00 0.00 176.83 177.65 2q42 h TYR 192 N 0.16 0.75 -0.72 2.24 3.20 -0.86 0.52 116.97 122.26 2q42 h TYR 192 Ca 0.03 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 2q42 h TYR 192 Cb 0.73 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 2q42 h TYR 192 CO 0.08 0.52 0.34 0.00 -1.64 0.00 0.00 178.16 177.45 2q42 h ALA 193 N 1.16 0.93 -0.34 1.82 0.00 -0.59 0.82 119.26 123.06 2q42 h ALA 193 Ca 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2q42 h ALA 193 Cb -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2q42 h ALA 193 CO -0.04 0.51 0.18 0.00 0.00 0.00 0.00 179.25 179.90 2q42 h ALA 194 N 1.17 0.44 -0.49 0.00 0.00 -0.96 0.65 119.26 120.05 2q42 h ALA 194 Ca 0.25 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2q42 h ALA 194 Cb 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2q42 h ALA 194 CO -0.03 -0.03 0.15 1.25 0.00 0.00 0.00 179.25 180.60 2q42 h HIS 195 N 0.42 0.73 -0.50 0.00 6.17 -0.54 -1.17 115.15 120.26 2q42 h HIS 195 Ca 0.12 -0.05 -0.02 0.00 0.71 0.00 0.00 60.37 61.13 2q42 h HIS 195 Cb 0.08 -0.22 -0.02 0.00 2.52 0.00 0.00 27.41 29.77 2q42 h HIS 195 CO -0.02 0.60 0.22 0.28 0.71 0.00 0.00 177.93 179.71 2q42 h VAL 196 N 0.71 1.20 -0.78 5.26 2.07 -0.35 0.53 116.25 124.90 2q42 h VAL 196 Ca 0.17 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2q42 h VAL 196 Cb 0.21 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 2q42 h VAL 196 CO -0.01 0.23 0.50 0.00 0.02 0.00 0.00 177.57 178.31 2q42 h ALA 197 N 1.06 1.41 -0.26 1.67 0.00 -0.22 -0.05 119.26 122.87 2q42 h ALA 197 Ca 0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2q42 h ALA 197 Cb 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2q42 h ALA 197 CO -0.02 0.53 0.03 0.93 0.00 0.00 0.00 179.25 180.73 2q42 h GLU 198 N 1.06 0.44 0.23 0.00 5.08 -0.38 -2.15 114.58 118.85 2q42 h GLU 198 Ca 0.28 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2q42 h GLU 198 Cb -0.09 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.11 2q42 h GLU 198 CO -0.06 0.57 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.34 2q42 h LEU 199 N 0.24 -0.26 -2.47 1.33 3.38 -0.33 -2.25 115.31 114.95 2q42 h LEU 199 Ca 0.08 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2q42 h LEU 199 Cb 0.35 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2q42 h LEU 199 CO 0.01 -0.17 -0.02 0.03 0.09 0.00 0.00 178.44 178.37 2q42 h ARG 200 N -0.31 0.00 0.00 1.13 2.47 -1.03 -0.60 114.38 116.03 2q42 h ARG 200 Ca -0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2q42 h ARG 200 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.56 2q42 h ARG 200 CO 0.05 0.02 -0.01 1.03 0.56 0.00 0.00 179.97 181.62 2q42 h SER 201 N 0.00 0.00 -0.54 7.04 0.87 -0.78 -2.80 113.55 117.34 2q42 h SER 201 Ca -0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2q42 h SER 201 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2q42 h SER 201 CO 0.00 0.00 0.00 2.29 -0.53 0.00 0.00 176.83 178.59 2q42 n LYS 202 N -2.50 3.12 -1.10 2.24 2.85 -0.31 -4.96 118.16 117.49 2q42 n LYS 202 Ca 0.05 -2.57 -0.04 0.00 -1.05 0.00 0.00 58.31 54.71 2q42 n LYS 202 Cb 0.46 -1.61 -0.02 0.00 -0.65 0.00 0.00 35.03 33.22 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 0.91 -0.92 -2.98 -1.58 5.02 -0.92 -5.00 118.16 112.70 2q42 n LYS 203 Ca 0.21 0.46 -0.27 0.00 -2.02 0.00 0.00 58.31 56.69 2q42 n LYS 203 Cb 0.68 -4.28 -0.01 0.00 -0.02 0.00 0.00 35.03 31.40 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 -0.80 3.82 0.81 -0.35 1.43 -0.72 -4.98 118.68 117.90 2q42 s LEU 204 Ca 0.00 0.78 -0.11 0.00 -1.03 0.00 0.00 54.13 53.77 2q42 s LEU 204 Cb 0.00 -3.68 0.08 0.00 0.03 0.00 0.00 46.19 42.61 2q42 s LEU 204 CO 0.00 -0.42 1.09 -2.84 0.23 0.00 0.00 176.35 174.41 2q42 s PRO 205 N -4.34 1.96 -0.02 1.29 0.02 -1.26 -3.98 135.00 128.67 2q42 s PRO 205 Ca 0.45 0.88 0.09 0.00 0.02 0.00 0.00 61.00 62.44 2q42 s PRO 205 Cb -0.10 -1.89 0.26 0.00 0.02 0.00 0.00 34.50 32.79 2q42 s PRO 205 CO 0.39 -1.77 1.21 0.25 -0.33 0.00 0.00 177.00 176.75 2q42 n THR 206 N -3.57 1.12 -4.56 0.99 -2.24 -1.26 -4.89 114.28 99.87 2q42 n THR 206 Ca 0.08 -1.09 -0.31 0.00 -2.27 0.00 0.00 64.05 60.45 2q42 n THR 206 Cb 0.55 0.43 -0.12 0.00 -2.10 0.00 0.00 70.33 69.09 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 -1.18 3.06 0.64 2.28 -1.09 -1.26 -4.22 121.20 119.43 2q42 s ILE 207 Ca 0.20 -1.10 -0.14 0.00 -2.23 0.00 0.00 60.65 57.38 2q42 s ILE 207 Cb 0.12 -2.32 -0.01 0.00 -1.58 0.00 0.00 42.46 38.66 2q42 s ILE 207 CO 0.12 0.32 1.07 -2.16 -1.23 0.00 0.00 174.94 173.06 2q42 s PRO 208 N -1.53 3.08 0.00 2.79 0.04 -1.26 -5.06 135.00 133.06 2q42 s PRO 208 Ca 0.16 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.36 2q42 s PRO 208 Cb -0.11 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2q42 s PRO 208 CO 0.07 -1.00 0.00 -2.37 0.04 0.00 0.00 177.00 173.74 2q42 n THR 209 N -2.47 0.00 -4.13 1.26 5.66 -0.83 -4.87 114.28 108.90 2q42 n THR 209 Ca 0.09 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.00 2q42 n THR 209 Cb 0.53 -0.66 -0.10 0.00 -1.55 0.00 0.00 70.33 68.55 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 0.82 0.23 0.21 1.09 -4.23 -1.26 -0.88 115.64 111.62 2q42 s THR 210 Ca 0.00 -1.87 -0.09 0.00 -1.18 0.00 0.00 61.69 58.55 2q42 s THR 210 Cb 0.00 -1.77 0.15 0.00 1.34 0.00 0.00 72.50 72.22 2q42 s THR 210 CO 0.00 -0.75 1.83 0.58 -0.54 0.00 0.00 174.62 175.74 2q42 h VAL 211 N 3.00 1.03 0.06 2.29 2.07 -1.47 -1.29 116.25 121.95 2q42 h VAL 211 Ca -0.35 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 66.92 2q42 h VAL 211 Cb 1.17 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2q42 h VAL 211 CO 0.63 0.14 -0.17 0.50 0.02 0.00 0.00 177.57 178.69 2q42 h LYS 212 N 0.79 -0.30 -0.90 1.57 3.64 -1.76 -0.62 116.57 118.99 2q42 h LYS 212 Ca 0.30 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.70 2q42 h LYS 212 Cb 0.11 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 2q42 h LYS 212 CO -0.15 -0.20 0.55 1.98 -2.27 0.00 0.00 179.45 179.36 2q42 h MET 213 N -0.31 1.22 -0.13 1.90 4.05 -1.76 -1.68 114.93 118.22 2q42 h MET 213 Ca 0.04 -0.11 -0.17 0.00 -0.28 0.00 0.00 59.70 59.18 2q42 h MET 213 Cb 0.35 -0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 2q42 h MET 213 CO -0.12 0.85 -0.63 0.93 0.23 0.00 0.00 176.91 178.17 2q42 h GLU 214 N 1.24 0.46 -0.74 0.39 4.39 -0.83 -0.23 114.58 119.26 2q42 h GLU 214 Ca 0.32 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2q42 h GLU 214 Cb -0.06 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 2q42 h GLU 214 CO -0.06 0.94 0.45 0.87 -1.16 0.00 0.00 179.01 180.05 2q42 h LYS 215 N 0.33 0.99 0.00 2.33 1.57 -0.85 0.34 116.57 121.29 2q42 h LYS 215 Ca -0.01 -0.08 -0.13 0.00 -1.87 0.00 0.00 60.65 58.56 2q42 h LYS 215 Cb 1.17 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 2q42 h LYS 215 CO 0.11 0.69 -0.64 0.00 -0.57 0.00 0.00 179.45 179.04 2q42 h ALA 216 N 1.49 0.80 0.00 3.86 0.00 -0.63 -3.40 119.26 121.37 2q42 h ALA 216 Ca 0.27 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2q42 h ALA 216 Cb -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2q42 h ALA 216 CO -0.05 0.80 -0.80 0.00 0.00 0.00 0.00 179.25 179.19 2q42 s ASN 218 N -1.71 6.78 0.63 0.00 3.84 0.11 -4.89 114.94 119.71 2q42 s ASN 218 Ca 0.00 1.00 0.35 0.00 0.21 0.00 0.00 52.86 54.42 2q42 s ASN 218 Cb 0.00 -2.54 2.00 0.00 -0.55 0.00 0.00 41.25 40.15 2q42 s ASN 218 CO 0.00 -1.02 2.22 1.55 -2.79 0.00 0.00 177.10 177.06 2q42 h PRO 219 N 8.73 0.00 0.00 0.43 0.13 -1.87 -0.92 132.00 138.49 2q42 h PRO 219 Ca -0.23 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 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 1.05 0.00 -0.08 0.74 -0.23 0.00 0.00 178.00 179.48 2q42 h PHE 220 N 0.00 0.00 -0.12 1.56 0.04 -1.90 -2.24 116.94 114.29 2q42 h PHE 220 Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2q42 h PHE 220 Cb 0.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.37 2q42 h PHE 220 CO 0.00 0.08 0.00 1.28 -0.60 0.00 0.00 178.31 179.07 2q42 n LEU 221 N -3.15 1.89 -2.04 1.54 4.77 -0.36 -4.11 117.00 115.53 2q42 n LEU 221 Ca 0.02 -0.72 -0.11 0.00 -0.03 0.00 0.00 56.01 55.16 2q42 n LEU 221 Cb 0.44 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.51 2q42 n LEU 221 CO 0.32 0.36 0.14 0.54 -1.33 0.00 0.00 177.39 177.42 2q42 n ARG 222 N 0.47 2.58 0.00 3.23 1.74 -0.84 -4.89 116.66 118.94 2q42 n ARG 222 Ca 0.17 -3.73 0.08 0.00 -0.77 0.00 0.00 57.85 53.61 2q42 n ARG 222 Cb 0.39 -1.85 0.48 0.00 -1.02 0.00 0.00 32.46 30.46 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 -0.54 0.55 3.41 -1.21 -1.17 113.62 114.00 2q42 n SER 223 Ca 0.28 -0.35 0.08 0.00 -0.26 0.00 0.00 58.87 58.62 2q42 n SER 223 Cb 0.90 -0.09 0.04 0.00 -0.26 0.00 0.00 64.21 64.80 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 -1.09 2.07 -4.71 4.04 3.41 -1.26 -4.83 113.62 111.25 2q42 n SER 224 Ca 0.11 -1.54 -0.42 0.00 -0.26 0.00 0.00 58.87 56.77 2q42 n SER 224 Cb 0.08 0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.17 2q42 n SER 224 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2q42 n ASN 225 N 0.54 4.05 -0.10 4.04 2.85 -0.32 -4.89 115.26 121.44 2q42 n ASN 225 Ca 0.08 1.04 0.01 0.00 -0.11 0.00 0.00 54.58 55.60 2q42 n ASN 225 Cb 0.38 -1.57 0.30 0.00 1.24 0.00 0.00 39.78 40.12 2q42 n ASN 225 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 2q42 h THR 226 N 4.02 1.17 -0.37 -0.44 2.02 -1.94 -2.12 112.91 115.25 2q42 h THR 226 Ca -0.44 -0.47 -0.10 0.00 0.77 0.00 0.00 66.41 66.17 2q42 h THR 226 Cb 1.20 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 2q42 h THR 226 CO 0.96 0.20 -0.17 0.44 0.37 0.00 0.00 175.52 177.32 2q42 h ASP 227 N 0.75 0.79 0.29 4.18 3.32 -1.90 -2.03 116.42 121.83 2q42 h ASP 227 Ca 0.19 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.82 2q42 h ASP 227 Cb 0.06 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.39 2q42 h ASP 227 CO -0.03 1.02 -0.14 0.40 -1.72 0.00 0.00 179.24 178.77 2q42 h ILE 228 N 0.57 0.75 -0.87 0.35 2.04 -1.60 -1.85 117.51 116.89 2q42 h ILE 228 Ca 0.08 -0.37 0.14 0.00 1.00 0.00 0.00 64.86 65.71 2q42 h ILE 228 Cb 0.71 0.95 -0.09 0.00 -0.74 0.00 0.00 36.82 37.65 2q42 h ILE 228 CO 0.05 0.08 0.48 0.03 0.00 0.00 0.00 178.15 178.79 2q42 h ARG 229 N -0.59 0.68 -0.58 2.37 3.08 -1.41 -1.79 114.38 116.14 2q42 h ARG 229 Ca -0.04 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 2q42 h ARG 229 Cb 0.43 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2q42 h ARG 229 CO 0.07 0.45 0.23 -0.09 -1.07 0.00 0.00 179.97 179.55 2q42 h ARG 230 N 0.70 0.88 -0.60 0.04 2.43 -1.27 0.59 114.38 117.16 2q42 h ARG 230 Ca 0.46 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.49 2q42 h ARG 230 Cb 0.60 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 2q42 h ARG 230 CO -0.33 0.76 0.40 0.00 -1.51 0.00 0.00 179.97 179.28 2q42 h ALA 231 N 1.08 1.61 -0.52 2.80 0.00 -0.52 -2.94 119.26 120.77 2q42 h ALA 231 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2q42 h ALA 231 Cb 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2q42 h ALA 231 CO -0.01 0.34 0.00 1.28 0.00 0.00 0.00 179.25 180.86 2q42 n LEU 232 N -4.45 3.45 -3.82 0.00 4.77 -0.81 -4.97 117.00 111.18 2q42 n LEU 232 Ca 0.06 -2.04 -0.24 0.00 -0.03 0.00 0.00 56.01 53.77 2q42 n LEU 232 Cb 0.08 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 40.82 2q42 n LEU 232 CO 0.35 0.84 -0.11 -1.14 -1.33 0.00 0.00 177.39 176.00 2q42 n ARG 233 N 0.99 -4.35 -3.11 3.23 0.63 0.18 -4.96 116.66 109.26 2q42 n ARG 233 Ca 0.18 0.54 -0.39 0.00 -0.92 0.00 0.00 57.85 57.25 2q42 n ARG 233 Cb 0.54 -4.97 -0.05 0.00 0.45 0.00 0.00 32.46 28.43 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 -3.74 5.08 0.54 5.15 1.01 0.59 -5.02 121.20 124.81 2q42 s ILE 234 Ca 0.06 1.33 -0.21 0.00 0.00 0.00 0.00 60.65 61.83 2q42 s ILE 234 Cb -0.03 -3.99 -0.06 0.00 0.01 0.00 0.00 42.46 38.39 2q42 s ILE 234 CO 0.84 0.27 1.16 -2.65 0.00 0.00 0.00 174.94 174.56 2q42 n PRO 235 N 3.77 1.38 -0.20 2.79 -0.02 -1.26 -4.61 135.00 136.85 2q42 n PRO 235 Ca -0.03 0.51 -0.04 0.00 -2.02 0.00 0.00 63.50 61.92 2q42 n PRO 235 Cb 0.51 -2.34 0.06 0.00 -0.02 0.00 0.00 33.50 31.71 2q42 n PRO 235 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2q42 h GLU 236 N 1.17 0.67 0.00 -0.52 5.08 -1.97 -1.47 114.58 117.54 2q42 h GLU 236 Ca -0.49 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 2q42 h GLU 236 Cb 1.33 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2q42 h GLU 236 CO 0.55 0.44 0.00 0.00 -1.00 0.00 0.00 179.01 179.01 2q42 n ALA 237 N -2.30 2.40 -1.77 3.43 0.00 -1.26 -4.90 120.51 116.12 2q42 n ALA 237 Ca 0.05 -0.06 -0.40 0.00 0.00 0.00 0.00 53.44 53.03 2q42 n ALA 237 Cb 0.09 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 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 -2.00 3.42 0.73 0.00 0.00 -0.56 -5.01 121.76 118.34 2q42 s ALA 238 Ca 0.15 1.28 -0.11 0.00 0.00 0.00 0.00 51.96 53.27 2q42 s ALA 238 Cb 0.07 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.72 2q42 s ALA 238 CO 0.11 -0.74 1.10 0.16 0.00 0.00 0.00 175.76 176.39 2q42 s ASP 239 N -0.54 5.23 0.12 0.00 1.47 -1.26 -4.87 116.67 116.81 2q42 s ASP 239 Ca 0.52 1.15 -0.18 0.00 1.18 0.00 0.00 52.55 55.22 2q42 s ASP 239 Cb -0.40 -1.93 -0.05 0.00 -0.34 0.00 0.00 42.92 40.21 2q42 s ASP 239 CO 0.52 -1.48 1.70 -0.33 0.68 0.00 0.00 175.17 176.26 2q42 h GLU 240 N -0.75 0.39 -0.23 2.11 5.08 -1.95 -1.68 114.58 117.54 2q42 h GLU 240 Ca -0.45 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 57.88 2q42 h GLU 240 Cb 1.26 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2q42 h GLU 240 CO 0.63 0.36 0.08 0.00 -1.00 0.00 0.00 179.01 179.08 2q42 h ALA 241 N 1.01 0.26 -0.96 3.43 0.00 -1.94 0.68 119.26 121.74 2q42 h ALA 241 Ca 0.09 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.06 2q42 h ALA 241 Cb 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 2q42 h ALA 241 CO -0.01 -0.33 0.63 0.93 0.00 0.00 0.00 179.25 180.46 2q42 h GLU 242 N 0.19 1.19 0.16 0.00 5.08 -1.87 -0.77 114.58 118.57 2q42 h GLU 242 Ca 0.10 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2q42 h GLU 242 Cb 0.06 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.05 2q42 h GLU 242 CO -0.10 0.79 -0.08 0.00 -1.00 0.00 0.00 179.01 178.62 2q42 h ALA 243 N 1.43 -0.22 -0.70 3.43 0.00 -0.93 -1.74 119.26 120.53 2q42 h ALA 243 Ca 0.38 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.28 2q42 h ALA 243 Cb -0.02 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 2q42 h ALA 243 CO -0.11 -0.54 0.31 1.25 0.00 0.00 0.00 179.25 180.16 2q42 h LEU 244 N -0.40 0.36 -0.92 0.00 6.46 0.83 0.58 115.31 122.22 2q42 h LEU 244 Ca -0.02 0.08 0.06 0.00 -0.12 0.00 0.00 57.88 57.87 2q42 h LEU 244 Cb 0.31 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.21 2q42 h LEU 244 CO 0.04 0.19 0.59 1.23 -0.62 0.00 0.00 178.44 179.86 2q42 h GLY 245 N 0.51 1.39 0.91 3.75 0.00 -0.88 0.16 103.07 108.90 2q42 h GLY 245 Ca 0.36 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 2q42 h GLY 245 CO -0.32 0.32 -0.04 -2.22 0.00 0.00 0.00 176.54 174.28 2q42 h ILE 246 N 1.08 1.27 -0.64 2.60 2.04 -0.34 0.03 117.51 123.56 2q42 h ILE 246 Ca 0.39 -1.06 0.05 0.00 1.00 0.00 0.00 64.86 65.25 2q42 h ILE 246 Cb 0.13 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 2q42 h ILE 246 CO -0.16 0.34 0.35 0.40 0.00 0.00 0.00 178.15 179.08 2q42 h ILE 247 N 0.40 0.97 -0.13 -0.67 2.04 -0.52 -0.74 117.51 118.87 2q42 h ILE 247 Ca 0.09 -0.22 -0.11 0.00 1.00 0.00 0.00 64.86 65.61 2q42 h ILE 247 Cb 0.52 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2q42 h ILE 247 CO 0.03 0.12 -0.42 -0.09 0.00 0.00 0.00 178.15 177.78 2q42 h ARG 248 N 0.66 0.29 -0.23 2.37 9.65 -0.48 -1.42 114.38 125.22 2q42 h ARG 248 Ca 0.28 -0.15 -0.06 0.00 -1.10 0.00 0.00 59.98 58.96 2q42 h ARG 248 Cb 0.17 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 2q42 h ARG 248 CO -0.17 0.67 -0.09 0.87 2.80 0.00 0.00 179.97 184.04 2q42 h LYS 249 N 0.24 0.47 0.16 0.20 1.79 -0.20 -0.29 116.57 118.95 2q42 h LYS 249 Ca 0.02 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.29 2q42 h LYS 249 Cb 0.85 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 2q42 h LYS 249 CO 0.07 0.73 -0.08 0.00 -1.08 0.00 0.00 179.45 179.09 2q42 h ALA 250 N 0.73 -0.22 -0.93 3.86 0.00 -1.01 -2.25 119.26 119.44 2q42 h ALA 250 Ca 0.05 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.96 2q42 h ALA 250 Cb 0.58 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 2q42 h ALA 250 CO 0.03 -0.57 0.57 -0.22 0.00 0.00 0.00 179.25 179.06 2q42 h LYS 251 N -0.33 0.94 -0.95 0.00 3.64 -1.24 0.40 116.57 119.03 2q42 h LYS 251 Ca -0.02 -0.06 0.15 0.00 -1.27 0.00 0.00 60.65 59.45 2q42 h LYS 251 Cb 0.26 -0.21 -0.08 0.00 -0.41 0.00 0.00 32.23 31.79 2q42 h LYS 251 CO 0.04 0.62 0.60 -0.44 -2.27 0.00 0.00 179.45 178.00 2q42 h ASP 252 N 0.97 0.75 -0.42 4.20 5.19 -0.63 -2.27 116.42 124.20 2q42 h ASP 252 Ca 0.44 0.05 -0.16 0.00 -0.62 0.00 0.00 57.03 56.74 2q42 h ASP 252 Cb 0.34 -0.09 -0.09 0.00 0.18 0.00 0.00 39.33 39.67 2q42 h ASP 252 CO -0.23 0.36 0.05 -0.67 -3.12 0.00 0.00 179.24 175.63 2q42 n ASP 253 N -4.61 3.29 -0.10 6.45 2.03 -0.03 -5.10 116.55 118.47 2q42 n ASP 253 Ca 0.19 -3.46 0.16 0.00 0.52 0.00 0.00 54.79 52.20 2q42 n ASP 253 Cb 0.47 -0.64 0.86 0.00 -0.72 0.00 0.00 41.12 41.09 2q42 n ASP 253 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61