#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 4.09 -0.20 2.12 -0.21 -0.05 -4.92 119.66 120.49 2q42 s GLN 2 Ca 0.00 -0.08 -0.07 0.00 0.02 0.00 0.00 55.36 55.23 2q42 s GLN 2 Cb 0.00 -3.56 -0.04 0.00 1.00 0.00 0.00 33.01 30.41 2q42 s GLN 2 CO 0.00 -0.03 0.06 0.42 -2.12 0.00 0.00 175.29 173.62 2q42 s ILE 3 N 1.30 4.56 -0.20 1.08 1.01 -1.26 0.01 121.20 127.70 2q42 s ILE 3 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.67 2q42 s ILE 3 Cb -0.14 -3.08 0.02 0.00 0.01 0.00 0.00 42.46 39.27 2q42 s ILE 3 CO 0.07 0.42 -0.16 -0.70 0.00 0.00 0.00 174.94 174.57 2q42 s GLU 4 N 0.82 2.97 0.20 2.79 2.12 -0.38 -4.97 118.70 122.24 2q42 s GLU 4 Ca 0.03 -0.86 -0.30 0.00 0.36 0.00 0.00 54.97 54.21 2q42 s GLU 4 Cb -0.14 -2.70 -0.08 0.00 0.26 0.00 0.00 34.13 31.47 2q42 s GLU 4 CO 0.02 -0.26 1.08 -0.51 -0.54 0.00 0.00 175.26 175.05 2q42 s LEU 5 N 1.31 4.52 -0.34 2.70 1.02 -1.26 -1.41 118.68 125.21 2q42 s LEU 5 Ca 0.03 2.10 0.02 0.00 0.02 0.00 0.00 54.13 56.30 2q42 s LEU 5 Cb -0.14 -3.61 0.10 0.00 0.02 0.00 0.00 46.19 42.56 2q42 s LEU 5 CO -0.10 -0.16 0.10 -0.69 0.02 0.00 0.00 176.35 175.52 2q42 s VAL 6 N -0.53 1.62 0.26 -1.59 1.01 0.05 -4.95 120.40 116.27 2q42 s VAL 6 Ca 0.47 -2.00 -0.30 0.00 0.00 0.00 0.00 61.98 60.15 2q42 s VAL 6 Cb -0.29 -2.20 -0.11 0.00 0.00 0.00 0.00 36.38 33.78 2q42 s VAL 6 CO 0.36 -0.67 1.57 -2.84 0.00 0.00 0.00 175.10 173.52 2q42 s PRO 7 N 1.11 4.16 0.09 2.72 0.02 -1.26 -1.61 135.00 140.24 2q42 s PRO 7 Ca 0.11 2.51 0.02 0.00 0.02 0.00 0.00 61.00 63.66 2q42 s PRO 7 Cb -0.19 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.23 2q42 s PRO 7 CO -0.14 -0.60 -0.07 0.00 -0.33 0.00 0.00 177.00 175.86 2q42 n LEU 9 N 0.14 0.00 -0.09 0.00 4.77 -1.26 -0.82 117.00 119.73 2q42 n LEU 9 Ca -0.13 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.67 2q42 n LEU 9 Cb 0.60 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.59 2q42 n LEU 9 CO 0.29 0.00 -0.30 0.50 -1.33 0.00 0.00 177.39 176.55 2q42 h LYS 10 N 0.00 0.00 -0.10 3.23 3.64 -2.01 -3.43 116.57 117.90 2q42 h LYS 10 Ca 0.00 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 2q42 h LYS 10 Cb 0.00 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 31.47 2q42 h LYS 10 CO 0.00 0.87 -0.94 -0.40 -2.27 0.00 0.00 179.45 176.71 2q42 n ASP 11 N -4.50 0.80 -4.89 4.20 5.68 -1.23 -5.01 116.55 111.61 2q42 n ASP 11 Ca -0.24 -2.01 -0.34 0.00 -0.50 0.00 0.00 54.79 51.70 2q42 n ASP 11 Cb 0.58 -0.23 -0.05 0.00 -1.14 0.00 0.00 41.12 40.28 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 -2.25 6.50 -0.17 -1.12 -0.87 -0.00 0.57 114.94 117.60 2q42 s ASN 12 Ca 0.28 0.58 0.01 0.00 -1.57 0.00 0.00 52.86 52.15 2q42 s ASN 12 Cb 0.33 -2.09 0.01 0.00 -0.02 0.00 0.00 41.25 39.48 2q42 s ASN 12 CO -0.12 0.19 -0.17 -0.31 -2.57 0.00 0.00 177.10 174.12 2q42 s TYR 13 N -1.41 2.78 0.15 2.20 2.02 -1.03 -0.35 117.35 121.71 2q42 s TYR 13 Ca 0.32 -1.35 0.03 0.00 -0.37 0.00 0.00 57.07 55.70 2q42 s TYR 13 Cb -0.13 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 2q42 s TYR 13 CO 0.19 -0.66 0.23 0.00 -1.57 0.00 0.00 175.55 173.74 2q42 s ALA 14 N 1.10 3.83 -0.06 3.71 0.00 -0.63 -3.87 121.76 125.84 2q42 s ALA 14 Ca -0.00 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.93 2q42 s ALA 14 Cb -0.14 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.33 2q42 s ALA 14 CO -0.06 0.55 -0.23 0.71 0.00 0.00 0.00 175.76 176.73 2q42 s TYR 15 N -1.72 2.26 -0.28 0.00 2.02 0.15 -0.77 117.35 119.00 2q42 s TYR 15 Ca 0.33 -0.70 -0.06 0.00 -0.37 0.00 0.00 57.07 56.27 2q42 s TYR 15 Cb -0.11 -1.50 0.00 0.00 -0.40 0.00 0.00 41.96 39.96 2q42 s TYR 15 CO 0.27 -0.23 0.07 0.42 -1.57 0.00 0.00 175.55 174.50 2q42 s ILE 16 N -0.05 3.92 -0.22 2.71 1.01 -0.50 -1.28 121.20 126.80 2q42 s ILE 16 Ca -0.05 -0.64 -0.18 0.00 0.00 0.00 0.00 60.65 59.77 2q42 s ILE 16 Cb -0.14 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 2q42 s ILE 16 CO 0.04 0.13 0.51 -0.76 0.00 0.00 0.00 174.94 174.86 2q42 s LEU 17 N 1.50 4.12 -0.30 2.97 1.43 0.29 -1.25 118.68 127.45 2q42 s LEU 17 Ca 0.03 0.63 -0.04 0.00 -1.03 0.00 0.00 54.13 53.72 2q42 s LEU 17 Cb -0.17 -2.69 0.03 0.00 0.03 0.00 0.00 46.19 43.40 2q42 s LEU 17 CO 0.02 -0.21 0.03 -1.00 0.23 0.00 0.00 176.35 175.42 2q42 s HIS 18 N 1.81 3.19 0.50 0.29 3.76 0.10 -0.65 115.29 124.29 2q42 s HIS 18 Ca 0.23 -1.49 -0.21 0.00 -0.15 0.00 0.00 55.06 53.44 2q42 s HIS 18 Cb -0.15 -2.17 -0.07 0.00 1.11 0.00 0.00 32.58 31.30 2q42 s HIS 18 CO 0.09 -0.72 1.14 0.34 -0.85 0.00 0.00 174.74 174.75 2q42 s ASP 19 N 1.36 5.97 -0.13 1.40 2.15 0.36 -0.87 116.67 126.91 2q42 s ASP 19 Ca -0.01 2.23 -0.15 0.00 0.43 0.00 0.00 52.55 55.05 2q42 s ASP 19 Cb -0.18 -2.59 -0.25 0.00 -0.30 0.00 0.00 42.92 39.59 2q42 s ASP 19 CO -0.00 -1.05 0.43 -0.33 -0.17 0.00 0.00 175.17 174.05 2q42 h GLU 20 N 1.64 0.20 -0.21 4.34 5.08 -1.95 -2.10 114.58 121.56 2q42 h GLU 20 Ca -0.50 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 57.46 2q42 h GLU 20 Cb 1.25 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 2q42 h GLU 20 CO 0.59 1.16 -0.15 0.22 -1.00 0.00 0.00 179.01 179.83 2q42 h ASP 21 N -0.36 0.50 0.00 1.42 3.58 -1.98 -3.32 116.42 116.26 2q42 h ASP 21 Ca -0.34 -0.44 0.00 0.00 0.42 0.00 0.00 57.03 56.66 2q42 h ASP 21 Cb 1.73 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.64 2q42 h ASP 21 CO 0.01 0.83 -0.95 0.35 -2.88 0.00 0.00 179.24 176.60 2q42 n THR 22 N -4.49 0.00 -0.90 2.25 -2.24 -1.26 -4.95 114.28 102.69 2q42 n THR 22 Ca -0.05 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2q42 n THR 22 Cb 0.37 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 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 1.43 0.47 3.75 3.38 0.00 -0.79 -4.93 105.19 108.49 2q42 n GLY 23 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.26 2.10 -0.08 2.61 2.01 -1.26 -4.67 115.64 114.08 2q42 s THR 24 Ca 0.00 0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.12 2q42 s THR 24 Cb 0.00 -3.04 -0.00 0.00 0.01 0.00 0.00 72.50 69.47 2q42 s THR 24 CO 0.00 -0.00 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.01 2q42 s VAL 25 N -1.32 1.95 0.24 3.82 1.01 -1.26 -0.49 120.40 124.36 2q42 s VAL 25 Ca 0.72 -0.98 0.09 0.00 0.00 0.00 0.00 61.98 61.82 2q42 s VAL 25 Cb -0.40 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 2q42 s VAL 25 CO 0.47 0.54 -0.05 -0.83 0.00 0.00 0.00 175.10 175.23 2q42 s GLY 26 N 0.16 1.70 -0.13 4.51 0.00 0.18 -0.55 107.32 113.19 2q42 s GLY 26 Ca -0.12 -1.60 -0.02 0.00 0.00 0.00 0.00 44.72 42.97 2q42 s GLY 26 CO 0.06 -1.66 0.03 0.54 0.00 0.00 0.00 173.10 172.07 2q42 s VAL 27 N -2.12 0.39 -0.22 1.40 0.11 0.68 -0.55 120.40 120.09 2q42 s VAL 27 Ca 0.29 -0.19 -0.09 0.00 -2.93 0.00 0.00 61.98 59.06 2q42 s VAL 27 Cb -0.07 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 2q42 s VAL 27 CO 0.18 0.01 0.12 -0.69 -3.33 0.00 0.00 175.10 171.38 2q42 s VAL 28 N 1.94 5.02 -1.15 2.04 1.01 -0.40 0.81 120.40 129.67 2q42 s VAL 28 Ca 0.02 0.06 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 2q42 s VAL 28 Cb -0.15 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 2q42 s VAL 28 CO -0.07 0.38 0.87 0.47 0.00 0.00 0.00 175.10 176.76 2q42 n ASP 29 N 4.15 -4.19 -4.56 3.32 9.92 -0.44 -0.67 116.55 124.07 2q42 n ASP 29 Ca -0.16 -0.76 -0.31 0.00 -0.53 0.00 0.00 54.79 53.04 2q42 n ASP 29 Cb 0.52 -4.66 -0.04 0.00 -0.64 0.00 0.00 41.12 36.29 2q42 n ASP 29 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2q42 s PRO 30 N -5.20 2.84 0.27 -0.24 0.04 -1.25 -4.11 135.00 127.34 2q42 s PRO 30 Ca 0.26 -0.54 -0.00 0.00 0.04 0.00 0.00 61.00 60.76 2q42 s PRO 30 Cb -0.05 -5.15 0.55 0.00 0.04 0.00 0.00 34.50 29.89 2q42 s PRO 30 CO 0.77 -3.07 1.78 0.77 0.04 0.00 0.00 177.00 177.29 2q42 h SER 31 N 10.84 0.65 -4.49 6.66 0.02 -1.80 0.16 113.55 125.59 2q42 h SER 31 Ca 0.13 0.08 -0.25 0.00 -0.84 0.00 0.00 61.79 60.91 2q42 h SER 31 Cb 1.00 -0.04 -0.15 0.00 0.14 0.00 0.00 62.40 63.36 2q42 h SER 31 CO 1.27 0.30 -0.69 -1.61 -1.14 0.00 0.00 176.83 174.95 2q42 s GLU 32 N -5.96 0.93 -0.15 3.45 2.02 -1.26 -3.59 118.70 114.14 2q42 s GLU 32 Ca -0.12 -1.40 -0.21 0.00 0.02 0.00 0.00 54.97 53.27 2q42 s GLU 32 Cb 0.22 -0.28 -0.24 0.00 0.10 0.00 0.00 34.13 33.93 2q42 s GLU 32 CO 0.79 -0.03 0.50 0.00 0.02 0.00 0.00 175.26 176.54 2q42 h ALA 33 N 2.88 0.16 -0.57 5.21 0.00 -1.79 -3.39 119.26 121.76 2q42 h ALA 33 Ca -0.36 -0.98 0.11 0.00 0.00 0.00 0.00 54.91 53.68 2q42 h ALA 33 Cb 1.18 0.45 -0.09 0.00 0.00 0.00 0.00 17.79 19.33 2q42 h ALA 33 CO 0.64 0.58 0.08 1.49 0.00 0.00 0.00 179.25 182.04 2q42 h GLU 34 N -0.70 0.20 -0.24 0.00 4.57 -1.95 -1.02 114.58 115.43 2q42 h GLU 34 Ca -0.24 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 57.97 2q42 h GLU 34 Cb 1.43 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.96 2q42 h GLU 34 CO -0.04 0.13 0.17 -1.35 -1.18 0.00 0.00 179.01 176.73 2q42 h PRO 35 N 0.20 0.14 -0.00 0.92 0.11 -1.95 0.13 132.00 131.55 2q42 h PRO 35 Ca 0.30 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.37 2q42 h PRO 35 Cb 0.45 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.53 2q42 h PRO 35 CO -0.42 0.09 -0.13 0.82 -0.21 0.00 0.00 178.00 178.16 2q42 h ILE 36 N 0.15 1.59 -0.73 4.15 1.08 -1.40 -3.15 117.51 119.19 2q42 h ILE 36 Ca 0.11 -1.91 0.15 0.00 -0.39 0.00 0.00 64.86 62.82 2q42 h ILE 36 Cb 0.24 2.84 -0.10 0.00 -3.07 0.00 0.00 36.82 36.73 2q42 h ILE 36 CO -0.02 0.51 0.22 0.40 -0.69 0.00 0.00 178.15 178.58 2q42 h ILE 37 N -0.65 0.57 -0.60 -0.67 2.04 -0.90 -0.28 117.51 117.02 2q42 h ILE 37 Ca -0.02 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 65.80 2q42 h ILE 37 Cb 0.90 0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 2q42 h ILE 37 CO 0.02 0.06 0.27 0.44 0.00 0.00 0.00 178.15 178.95 2q42 h ASP 38 N 0.33 0.35 -0.35 1.72 3.32 -1.01 0.11 116.42 120.89 2q42 h ASP 38 Ca 0.41 0.05 -0.12 0.00 0.02 0.00 0.00 57.03 57.40 2q42 h ASP 38 Cb 0.67 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 2q42 h ASP 38 CO -0.46 0.22 -0.22 -1.28 -1.72 0.00 0.00 179.24 175.78 2q42 h SER 39 N 0.50 0.85 -0.24 6.45 0.87 -1.13 -0.57 113.55 120.29 2q42 h SER 39 Ca 0.29 -0.31 -0.15 0.00 -1.23 0.00 0.00 61.79 60.39 2q42 h SER 39 Cb 0.28 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2q42 h SER 39 CO -0.24 1.04 -0.39 -0.07 -0.53 0.00 0.00 176.83 176.64 2q42 h LEU 40 N 0.73 0.83 -0.10 2.23 3.38 -0.31 -1.72 115.31 120.34 2q42 h LEU 40 Ca 0.10 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 2q42 h LEU 40 Cb 0.75 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2q42 h LEU 40 CO 0.06 1.12 -0.27 0.11 0.09 0.00 0.00 178.44 179.55 2q42 h LYS 41 N 0.64 0.36 -0.07 1.13 1.79 -0.79 1.06 116.57 120.69 2q42 h LYS 41 Ca 0.05 -0.25 0.02 0.00 -2.18 0.00 0.00 60.65 58.29 2q42 h LYS 41 Cb 0.95 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.63 2q42 h LYS 41 CO 0.09 0.87 0.06 -0.09 -1.08 0.00 0.00 179.45 179.29 2q42 h ARG 42 N -0.09 0.00 -0.02 3.15 2.43 -1.08 0.17 114.38 118.95 2q42 h ARG 42 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2q42 h ARG 42 Cb 0.88 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 2q42 h ARG 42 CO 0.06 0.00 -0.30 -1.13 -1.51 0.00 0.00 179.97 177.09 2q42 n SER 43 N -4.31 1.96 -3.51 -3.80 3.41 -0.65 -5.01 113.62 101.72 2q42 n SER 43 Ca -0.01 -1.48 -0.22 0.00 -0.26 0.00 0.00 58.87 56.89 2q42 n SER 43 Cb 0.16 0.37 0.05 0.00 -0.26 0.00 0.00 64.21 64.54 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 1.21 -0.88 3.18 5.00 0.00 0.33 -5.02 105.19 109.02 2q42 n GLY 44 Ca 0.08 0.42 -0.14 0.00 0.00 0.00 0.00 46.02 46.38 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 -5.34 0.87 0.20 1.61 0.52 0.10 -5.00 118.95 111.91 2q42 s ARG 45 Ca 0.34 -1.19 -0.09 0.00 -0.52 0.00 0.00 55.73 54.27 2q42 s ARG 45 Cb -0.08 -0.53 -0.07 0.00 0.52 0.00 0.00 34.95 34.79 2q42 s ARG 45 CO 0.80 0.08 0.50 1.21 0.02 0.00 0.00 175.30 177.91 2q42 s ASN 46 N -2.54 6.60 -0.20 0.23 3.04 -1.26 -4.62 114.94 116.20 2q42 s ASN 46 Ca 0.07 0.85 -0.13 0.00 0.04 0.00 0.00 52.86 53.68 2q42 s ASN 46 Cb -0.02 -2.20 -0.05 0.00 -1.54 0.00 0.00 41.25 37.45 2q42 s ASN 46 CO -0.00 -0.03 0.27 -0.22 -3.04 0.00 0.00 177.10 174.08 2q42 s LEU 47 N -2.70 4.18 -0.21 3.21 2.96 -1.26 -4.18 118.68 120.67 2q42 s LEU 47 Ca 0.45 0.38 -0.16 0.00 -0.22 0.00 0.00 54.13 54.57 2q42 s LEU 47 Cb -0.12 -2.31 -0.11 0.00 0.50 0.00 0.00 46.19 44.16 2q42 s LEU 47 CO 0.22 0.05 -0.19 0.41 -1.32 0.00 0.00 176.35 175.52 2q42 n THR 48 N 3.96 1.50 -4.37 3.68 -1.04 0.29 -4.28 114.28 114.02 2q42 n THR 48 Ca -0.12 -0.06 -0.26 0.00 -2.04 0.00 0.00 64.05 61.57 2q42 n THR 48 Cb 0.52 -2.13 -0.12 0.00 -1.82 0.00 0.00 70.33 66.78 2q42 n THR 48 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2q42 s TYR 49 N -2.52 2.10 -0.18 -1.42 2.02 -0.87 -1.31 117.35 115.17 2q42 s TYR 49 Ca -0.30 -0.40 -0.00 0.00 -0.37 0.00 0.00 57.07 56.00 2q42 s TYR 49 Cb 0.08 -1.08 0.04 0.00 -0.40 0.00 0.00 41.96 40.60 2q42 s TYR 49 CO 0.45 0.37 -0.06 0.42 -1.57 0.00 0.00 175.55 175.16 2q42 s ILE 50 N -1.53 1.25 -0.13 2.71 1.01 0.18 -0.23 121.20 124.46 2q42 s ILE 50 Ca 0.16 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 2q42 s ILE 50 Cb -0.08 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.93 2q42 s ILE 50 CO 0.07 0.10 -0.00 -0.76 0.00 0.00 0.00 174.94 174.35 2q42 s LEU 51 N 1.56 3.49 -0.13 2.97 1.02 0.24 0.96 118.68 128.80 2q42 s LEU 51 Ca -0.00 0.02 0.03 0.00 0.02 0.00 0.00 54.13 54.19 2q42 s LEU 51 Cb -0.16 -1.83 0.01 0.00 0.02 0.00 0.00 46.19 44.23 2q42 s LEU 51 CO -0.08 0.25 -0.22 0.20 0.02 0.00 0.00 176.35 176.53 2q42 s ASN 52 N -0.13 3.15 -0.03 2.29 -0.87 -0.14 -1.33 114.94 117.87 2q42 s ASN 52 Ca 0.04 -0.58 -0.05 0.00 -1.57 0.00 0.00 52.86 50.70 2q42 s ASN 52 Cb -0.13 -1.44 -0.03 0.00 -0.02 0.00 0.00 41.25 39.63 2q42 s ASN 52 CO 0.02 0.11 0.34 0.71 -2.57 0.00 0.00 177.10 175.71 2q42 h THR 53 N 5.77 0.00 -0.40 1.60 1.35 -1.89 -3.40 112.91 115.95 2q42 h THR 53 Ca -0.28 -0.41 -0.65 0.00 -0.55 0.00 0.00 66.41 64.52 2q42 h THR 53 Cb 1.21 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 67.52 2q42 h THR 53 CO 0.53 0.00 -0.45 -1.38 -0.25 0.00 0.00 175.52 173.97 2q42 s HIS 54 N -2.16 1.78 -0.68 4.73 0.00 -1.26 -2.97 115.29 114.73 2q42 s HIS 54 Ca -0.03 -0.93 0.23 0.00 -3.00 0.00 0.00 55.06 51.33 2q42 s HIS 54 Cb 0.00 -1.70 0.05 0.00 -4.00 0.00 0.00 32.58 26.93 2q42 s HIS 54 CO 0.09 0.02 1.03 -2.39 -1.00 0.00 0.00 174.74 172.49 2q42 n HIS 55 N -1.41 0.20 -1.31 0.38 -0.00 -1.26 -4.63 115.22 107.18 2q42 n HIS 55 Ca -0.14 0.06 -0.36 0.00 -0.00 0.00 0.00 57.72 57.27 2q42 n HIS 55 Cb 0.66 -0.36 0.07 0.00 -0.00 0.00 0.00 29.99 30.35 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 -1.87 -0.60 0.10 -1.40 8.25 -1.26 -4.44 115.22 114.01 2q42 n HIS 56 Ca 0.02 0.37 0.04 0.00 -0.26 0.00 0.00 57.72 57.89 2q42 n HIS 56 Cb 0.42 -1.94 0.45 0.00 1.12 0.00 0.00 29.99 30.04 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 -0.25 0.31 0.00 4.41 3.20 -1.95 0.39 116.97 123.08 2q42 h TYR 57 Ca -0.46 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.40 2q42 h TYR 57 Cb 1.36 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.53 2q42 h TYR 57 CO 0.35 0.28 0.00 -0.40 -1.64 0.00 0.00 178.16 176.75 2q42 n ASP 58 N -4.41 0.00 -0.00 -2.11 5.75 -1.26 -3.04 116.55 111.48 2q42 n ASP 58 Ca 0.00 0.22 0.02 0.00 -0.01 0.00 0.00 54.79 55.03 2q42 n ASP 58 Cb 0.15 -0.39 -0.03 0.00 -1.03 0.00 0.00 41.12 39.82 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 -1.39 0.00 -3.24 2.11 8.25 0.49 -4.05 115.22 117.39 2q42 n HIS 59 Ca 0.08 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.30 2q42 n HIS 59 Cb 0.22 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.26 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 -1.12 -0.30 -0.49 1.59 -2.24 0.11 -3.87 114.28 107.95 2q42 n THR 60 Ca 0.01 -4.15 0.00 0.00 -2.27 0.00 0.00 64.05 57.64 2q42 n THR 60 Cb 0.08 -1.96 0.00 0.00 -2.10 0.00 0.00 70.33 66.35 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 1.43 0.89 0.00 3.38 0.00 -1.12 -4.64 105.19 105.14 2q42 n GLY 61 Ca 0.23 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.30 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 0.04 -0.15 0.44 -0.02 0.00 0.55 -4.18 105.19 101.87 2q42 n GLY 62 Ca 0.00 -0.31 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 -1.77 -0.56 1.61 4.21 -1.87 -0.74 115.58 116.46 2q42 h ASN 63 Ca 0.00 0.24 -0.02 0.00 1.21 0.00 0.00 56.30 57.73 2q42 h ASN 63 Cb 0.32 0.73 -0.03 0.00 -1.12 0.00 0.00 38.32 38.22 2q42 h ASN 63 CO 0.00 -0.40 0.28 -0.07 -1.29 0.00 0.00 177.43 175.95 2q42 h LEU 64 N -0.40 0.72 -0.08 1.61 3.38 -1.87 0.48 115.31 119.15 2q42 h LEU 64 Ca 0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2q42 h LEU 64 Cb 0.60 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 2q42 h LEU 64 CO -0.58 0.63 -0.03 -0.08 0.09 0.00 0.00 178.44 178.47 2q42 h GLU 65 N 0.75 0.16 -0.50 1.13 4.81 -1.84 0.14 114.58 119.23 2q42 h GLU 65 Ca 0.19 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2q42 h GLU 65 Cb 0.10 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2q42 h GLU 65 CO -0.03 0.52 0.30 -0.07 -0.73 0.00 0.00 179.01 179.00 2q42 h LEU 66 N -0.20 0.60 -0.36 1.64 3.38 -0.98 0.38 115.31 119.77 2q42 h LEU 66 Ca 0.02 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2q42 h LEU 66 Cb 0.47 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2q42 h LEU 66 CO 0.01 0.48 0.22 0.50 0.09 0.00 0.00 178.44 179.75 2q42 h LYS 67 N 0.67 0.44 0.00 1.13 3.64 0.19 -0.09 116.57 122.55 2q42 h LYS 67 Ca 0.18 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 2q42 h LYS 67 Cb -0.01 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2q42 h LYS 67 CO -0.03 0.29 -0.30 0.22 -2.27 0.00 0.00 179.45 177.36 2q42 h ASP 68 N 0.46 0.00 0.70 4.20 1.82 -0.56 0.50 116.42 123.54 2q42 h ASP 68 Ca 0.14 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.52 2q42 h ASP 68 Cb -0.02 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 39.99 2q42 h ASP 68 CO -0.05 0.30 -1.20 -0.09 -1.61 0.00 0.00 179.24 176.58 2q42 h ARG 69 N 0.00 0.21 0.00 0.28 2.43 0.48 -3.38 114.38 114.40 2q42 h ARG 69 Ca -0.00 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2q42 h ARG 69 Cb 0.86 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2q42 h ARG 69 CO 0.04 1.17 -0.53 0.66 -1.51 0.00 0.00 179.97 179.80 2q42 n TYR 70 N -3.49 0.00 -1.68 2.20 4.01 -0.11 -5.00 117.16 113.09 2q42 n TYR 70 Ca -0.07 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.61 2q42 n TYR 70 Cb 1.01 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.99 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 0.44 3.74 2.72 0.00 0.17 -4.81 105.19 108.88 2q42 n GLY 71 Ca 0.00 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.25 1.93 -0.13 4.61 0.00 -1.11 -5.00 121.76 119.82 2q42 s ALA 72 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 51.96 52.08 2q42 s ALA 72 Cb 0.00 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 2q42 s ALA 72 CO 0.00 -2.05 -0.00 0.15 0.00 0.00 0.00 175.76 173.86 2q42 s LYS 73 N -4.90 3.40 -0.16 0.00 -0.14 -0.43 -4.78 119.74 112.73 2q42 s LYS 73 Ca 0.62 -0.43 -0.17 0.00 -1.36 0.00 0.00 55.97 54.63 2q42 s LYS 73 Cb -0.18 -2.91 -0.04 0.00 -1.68 0.00 0.00 37.83 33.02 2q42 s LYS 73 CO 0.57 0.47 0.43 0.08 -0.76 0.00 0.00 175.35 176.14 2q42 s VAL 74 N -0.24 5.19 -0.20 3.17 1.01 -1.26 -0.64 120.40 127.44 2q42 s VAL 74 Ca 0.06 0.82 -0.02 0.00 0.00 0.00 0.00 61.98 62.84 2q42 s VAL 74 Cb -0.12 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.49 2q42 s VAL 74 CO 0.02 0.28 -0.10 -0.63 0.00 0.00 0.00 175.10 174.67 2q42 s ILE 75 N 1.00 2.90 0.14 2.22 -1.09 0.27 -1.38 121.20 125.25 2q42 s ILE 75 Ca 0.22 -0.66 -0.00 0.00 -2.23 0.00 0.00 60.65 57.98 2q42 s ILE 75 Cb -0.15 -2.28 0.00 0.00 -1.58 0.00 0.00 42.46 38.45 2q42 s ILE 75 CO 0.08 0.47 0.18 0.61 -1.23 0.00 0.00 174.94 175.06 2q42 n GLY 76 N 4.60 2.81 3.72 6.18 0.00 -0.41 -0.97 105.19 121.12 2q42 n GLY 76 Ca -0.19 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.84 7.44 0.35 1.61 0.15 -1.26 0.01 113.70 120.15 2q42 s SER 77 Ca 0.12 1.72 0.03 0.00 0.70 0.00 0.00 55.95 58.52 2q42 s SER 77 Cb -0.00 -2.57 0.66 0.00 -1.71 0.00 0.00 66.02 62.40 2q42 s SER 77 CO 0.08 -0.11 1.99 0.00 1.20 0.00 0.00 173.24 176.40 2q42 h ALA 78 N 5.93 1.59 -0.02 5.45 0.00 -1.47 -0.59 119.26 130.15 2q42 h ALA 78 Ca -0.42 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.45 2q42 h ALA 78 Cb 1.21 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2q42 h ALA 78 CO 0.73 0.35 0.03 0.52 0.00 0.00 0.00 179.25 180.87 2q42 h MET 79 N 0.84 0.00 -0.06 0.00 2.86 -1.89 -2.18 114.93 114.50 2q42 h MET 79 Ca 0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 2q42 h MET 79 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2q42 h MET 79 CO -0.07 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.65 2q42 n ASP 80 N -3.61 2.51 -0.34 1.22 8.00 -0.34 -4.81 116.55 119.18 2q42 n ASP 80 Ca -0.03 -2.74 0.19 0.00 0.71 0.00 0.00 54.79 52.92 2q42 n ASP 80 Cb 0.11 -0.33 0.40 0.00 -0.02 0.00 0.00 41.12 41.29 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 0.37 0.51 0.00 -1.24 3.64 -0.58 1.05 116.57 120.32 2q42 h LYS 81 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2q42 h LYS 81 Cb 0.92 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 2q42 h LYS 81 CO 0.03 0.34 0.00 -0.25 -2.27 0.00 0.00 179.45 177.30 2q42 n ASP 82 N -4.92 0.00 -0.01 4.20 8.00 -1.26 -3.34 116.55 119.21 2q42 n ASP 82 Ca 0.28 -0.32 0.05 0.00 0.71 0.00 0.00 54.79 55.50 2q42 n ASP 82 Cb 0.79 -0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 41.63 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 -1.21 3.62 -3.21 -1.24 1.74 0.36 -4.91 116.66 111.81 2q42 n ARG 83 Ca 0.15 -0.03 -0.43 0.00 -0.77 0.00 0.00 57.85 56.77 2q42 n ARG 83 Cb 0.19 -0.98 -0.07 0.00 -1.02 0.00 0.00 32.46 30.58 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 -1.92 4.94 0.17 0.55 -1.09 -0.79 -4.83 121.20 118.24 2q42 s ILE 84 Ca 0.04 -0.41 -0.33 0.00 -2.23 0.00 0.00 60.65 57.71 2q42 s ILE 84 Cb 0.08 -4.21 -0.14 0.00 -1.58 0.00 0.00 42.46 36.60 2q42 s ILE 84 CO 0.40 -0.67 1.48 -2.65 -1.23 0.00 0.00 174.94 172.28 2q42 n PRO 85 N 5.98 1.96 -1.18 2.79 -0.02 -1.26 -2.45 135.00 140.81 2q42 n PRO 85 Ca -0.06 0.70 -0.06 0.00 -2.02 0.00 0.00 63.50 62.06 2q42 n PRO 85 Cb 0.46 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.50 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 2.89 0.72 3.67 -1.23 0.00 -1.26 -4.82 105.19 105.16 2q42 n GLY 86 Ca 0.15 -0.13 -0.45 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.40 0.08 -0.01 -0.61 3.06 -1.03 -4.43 119.36 114.03 2q42 n ILE 87 Ca -0.06 -0.02 0.07 0.00 -2.50 0.00 0.00 62.75 60.24 2q42 n ILE 87 Cb 0.42 -1.57 -0.12 0.00 0.54 0.00 0.00 39.64 38.90 2q42 n ILE 87 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 2q42 n ASP 88 N 3.35 1.48 -3.70 9.51 8.00 -0.48 -4.94 116.55 129.77 2q42 n ASP 88 Ca 0.16 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.55 2q42 n ASP 88 Cb 0.30 1.69 -0.11 0.00 -0.02 0.00 0.00 41.12 42.97 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 -3.06 0.33 -0.25 -1.24 1.75 -0.74 -4.98 119.30 111.12 2q42 s MET 89 Ca -0.06 0.73 -0.03 0.00 -1.25 0.00 0.00 55.69 55.08 2q42 s MET 89 Cb 0.10 -0.03 0.01 0.00 2.84 0.00 0.00 34.83 37.75 2q42 s MET 89 CO 0.64 -0.17 -0.03 0.00 -0.65 0.00 0.00 175.02 174.82 2q42 s ALA 90 N 1.46 2.81 -0.05 4.11 0.00 -1.26 -1.29 121.76 127.53 2q42 s ALA 90 Ca -0.09 -1.36 -0.03 0.00 0.00 0.00 0.00 51.96 50.49 2q42 s ALA 90 Cb -0.09 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 2q42 s ALA 90 CO -0.12 -0.70 0.09 -0.51 0.00 0.00 0.00 175.76 174.53 2q42 s LEU 91 N 1.41 4.03 0.43 0.00 1.43 0.10 -4.39 118.68 121.69 2q42 s LEU 91 Ca 0.03 0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.44 2q42 s LEU 91 Cb -0.16 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 43.90 2q42 s LEU 91 CO -0.03 0.33 0.60 -0.54 0.23 0.00 0.00 176.35 176.94 2q42 s LYS 92 N -1.40 2.90 0.32 1.70 3.01 -1.26 -1.49 119.74 123.52 2q42 s LYS 92 Ca 0.19 -0.96 -0.29 0.00 -1.01 0.00 0.00 55.97 53.91 2q42 s LYS 92 Cb -0.12 -2.69 -0.12 0.00 -1.01 0.00 0.00 37.83 33.89 2q42 s LYS 92 CO 0.09 -0.26 1.43 -3.47 0.51 0.00 0.00 175.35 173.66 2q42 n ASP 93 N -1.92 3.29 0.00 2.83 2.03 -1.26 -1.74 116.55 119.77 2q42 n ASP 93 Ca 0.04 1.19 0.00 0.00 0.52 0.00 0.00 54.79 56.54 2q42 n ASP 93 Cb 0.59 -1.54 0.00 0.00 -0.72 0.00 0.00 41.12 39.45 2q42 n ASP 93 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2q42 n GLY 94 N 1.22 1.25 3.76 0.27 0.00 0.18 -4.99 105.19 106.89 2q42 n GLY 94 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.04 5.41 -0.10 1.61 1.11 -0.71 -4.73 116.67 116.22 2q42 s ASP 95 Ca 0.00 2.43 -0.01 0.00 0.18 0.00 0.00 52.55 55.14 2q42 s ASP 95 Cb 0.00 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.35 2q42 s ASP 95 CO 0.00 -1.45 -0.03 -0.54 1.18 0.00 0.00 175.17 174.34 2q42 s LYS 96 N -3.14 3.06 -0.02 8.23 1.02 -1.26 -0.91 119.74 126.72 2q42 s LYS 96 Ca 0.74 -0.47 0.01 0.00 0.02 0.00 0.00 55.97 56.27 2q42 s LYS 96 Cb -0.31 -2.76 0.01 0.00 -0.52 0.00 0.00 37.83 34.24 2q42 s LYS 96 CO 0.35 0.59 -0.05 -0.46 -0.92 0.00 0.00 175.35 174.87 2q42 s TRP 97 N -0.59 0.55 -0.27 3.18 -0.00 -0.63 -4.99 118.94 116.20 2q42 s TRP 97 Ca 0.09 -0.11 -0.10 0.00 -0.00 0.00 0.00 56.10 55.98 2q42 s TRP 97 Cb -0.12 -0.44 -0.05 0.00 -0.00 0.00 0.00 33.47 32.87 2q42 s TRP 97 CO 0.02 -0.08 0.17 -1.64 -0.00 0.00 0.00 176.95 175.42 2q42 s MET 98 N 0.32 3.92 -0.75 5.86 -1.94 -1.26 -1.21 119.30 124.24 2q42 s MET 98 Ca -0.04 -0.34 -0.17 0.00 -1.71 0.00 0.00 55.69 53.43 2q42 s MET 98 Cb -0.07 -3.59 0.14 0.00 2.01 0.00 0.00 34.83 33.32 2q42 s MET 98 CO -0.00 -0.15 0.84 0.12 -0.01 0.00 0.00 175.02 175.81 2q42 s PHE 99 N 1.65 3.25 -1.42 -0.03 5.36 -0.35 -4.35 117.98 122.09 2q42 s PHE 99 Ca 0.07 -1.37 -0.06 0.00 -0.96 0.00 0.00 56.93 54.60 2q42 s PHE 99 Cb -0.16 -4.03 0.04 0.00 -0.34 0.00 0.00 43.02 38.53 2q42 s PHE 99 CO 0.09 -1.26 0.78 0.00 -1.46 0.00 0.00 175.22 173.37 2q42 n ALA 100 N 5.72 -1.70 -0.94 11.12 0.00 -1.26 -1.33 120.51 132.11 2q42 n ALA 100 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2q42 n ALA 100 Cb 0.45 -2.94 0.00 0.00 0.00 0.00 0.00 19.45 16.97 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 -1.66 0.68 3.44 0.00 0.00 -1.26 -5.00 105.19 101.39 2q42 n GLY 101 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.62 3.12 -0.05 1.61 4.02 -0.44 -5.06 115.29 115.86 2q42 s HIS 102 Ca 0.00 -0.49 -0.30 0.00 1.02 0.00 0.00 55.06 55.29 2q42 s HIS 102 Cb 0.00 -2.27 -0.05 0.00 -1.02 0.00 0.00 32.58 29.23 2q42 s HIS 102 CO 0.00 -0.39 1.61 -2.00 1.02 0.00 0.00 174.74 174.98 2q42 s GLU 103 N 1.61 4.19 -0.12 1.40 2.12 -1.26 -1.21 118.70 125.44 2q42 s GLU 103 Ca 0.06 2.15 -0.01 0.00 0.36 0.00 0.00 54.97 57.53 2q42 s GLU 103 Cb -0.16 -3.92 -0.02 0.00 0.26 0.00 0.00 34.13 30.29 2q42 s GLU 103 CO 0.04 -0.81 -0.09 0.08 -0.54 0.00 0.00 175.26 173.94 2q42 s VAL 104 N 3.79 3.45 -0.21 3.70 1.01 -0.35 -3.98 120.40 127.82 2q42 s VAL 104 Ca 0.72 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 2q42 s VAL 104 Cb -0.33 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 2q42 s VAL 104 CO 0.28 0.53 -0.01 -1.00 0.00 0.00 0.00 175.10 174.91 2q42 s HIS 105 N 0.05 3.02 -0.20 5.22 3.76 0.52 -1.60 115.29 126.06 2q42 s HIS 105 Ca -0.03 -0.55 -0.22 0.00 -0.15 0.00 0.00 55.06 54.12 2q42 s HIS 105 Cb -0.14 -2.09 -0.02 0.00 1.11 0.00 0.00 32.58 31.44 2q42 s HIS 105 CO 0.04 -0.30 0.70 0.08 -0.85 0.00 0.00 174.74 174.40 2q42 s VAL 106 N 1.12 4.97 -0.22 -0.90 1.01 -0.09 -1.46 120.40 124.82 2q42 s VAL 106 Ca 0.02 1.33 -0.01 0.00 0.00 0.00 0.00 61.98 63.32 2q42 s VAL 106 Cb -0.14 -4.01 0.01 0.00 0.00 0.00 0.00 36.38 32.24 2q42 s VAL 106 CO 0.01 0.07 -0.10 -0.04 0.00 0.00 0.00 175.10 175.04 2q42 s MET 107 N 2.07 3.03 0.01 2.72 -1.94 -0.63 -0.65 119.30 123.91 2q42 s MET 107 Ca 0.32 -0.83 -0.30 0.00 -1.71 0.00 0.00 55.69 53.16 2q42 s MET 107 Cb -0.16 -2.85 -0.06 0.00 2.01 0.00 0.00 34.83 33.77 2q42 s MET 107 CO 0.11 -0.28 1.47 -0.51 -0.01 0.00 0.00 175.02 175.79 2q42 s ASP 108 N 1.35 6.79 -0.47 3.03 1.11 -1.26 -0.53 116.67 126.68 2q42 s ASP 108 Ca 0.03 2.20 0.07 0.00 0.18 0.00 0.00 52.55 55.03 2q42 s ASP 108 Cb -0.15 -2.56 0.25 0.00 1.07 0.00 0.00 42.92 41.53 2q42 s ASP 108 CO -0.07 -0.77 0.59 0.35 1.18 0.00 0.00 175.17 176.45 2q42 n THR 109 N 4.71 0.29 -1.83 -1.27 -2.24 0.25 -4.90 114.28 109.30 2q42 n THR 109 Ca 0.14 -4.39 -0.35 0.00 -2.27 0.00 0.00 64.05 57.18 2q42 n THR 109 Cb 0.43 -2.00 0.05 0.00 -2.10 0.00 0.00 70.33 66.71 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 -1.57 2.75 0.00 -0.78 0.04 -1.23 -4.41 135.00 129.80 2q42 s PRO 110 Ca 0.36 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2q42 s PRO 110 Cb 0.16 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.78 2q42 s PRO 110 CO -0.08 -1.35 0.00 0.41 0.04 0.00 0.00 177.00 176.02 2q42 n GLY 111 N 0.22 -0.60 0.22 0.56 0.00 -1.26 -3.54 105.19 100.78 2q42 n GLY 111 Ca 0.13 0.29 -0.07 0.00 0.00 0.00 0.00 46.02 46.36 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 0.69 -4.15 1.61 -0.00 -1.84 0.24 115.15 111.69 2q42 h HIS 112 Ca 0.00 -0.02 -0.30 0.00 -0.00 0.00 0.00 60.37 60.05 2q42 h HIS 112 Cb 0.00 -0.22 -0.15 0.00 -0.00 0.00 0.00 27.41 27.04 2q42 h HIS 112 CO 0.00 0.51 -0.61 0.95 -0.00 0.00 0.00 177.93 178.78 2q42 s THR 113 N -5.87 0.30 -0.38 6.26 -4.23 -1.26 -3.20 115.64 107.25 2q42 s THR 113 Ca -0.13 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.22 2q42 s THR 113 Cb 0.12 -2.57 0.01 0.00 1.34 0.00 0.00 72.50 71.39 2q42 s THR 113 CO 0.76 0.00 0.41 -0.54 -0.54 0.00 0.00 174.62 174.70 2q42 s LYS 114 N -4.08 3.32 0.00 3.99 1.02 -1.26 -3.72 119.74 119.00 2q42 s LYS 114 Ca 0.38 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.79 2q42 s LYS 114 Cb 0.07 -3.89 0.00 0.00 -0.52 0.00 0.00 37.83 33.49 2q42 s LYS 114 CO 0.13 -0.70 0.00 0.41 -0.92 0.00 0.00 175.35 174.27 2q42 n GLY 115 N 5.03 1.31 3.72 -3.33 0.00 -1.26 -4.82 105.19 105.84 2q42 n GLY 115 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 2.64 -4.39 1.61 -0.00 -1.24 -4.75 115.22 109.09 2q42 n HIS 116 Ca 0.00 0.26 -0.21 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 27.31 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 0.23 2.04 0.16 3.57 -4.36 -1.16 0.86 121.20 122.54 2q42 s ILE 117 Ca 0.68 -2.23 0.11 0.00 -0.26 0.00 0.00 60.65 58.95 2q42 s ILE 117 Cb -0.54 -2.11 -0.04 0.00 1.25 0.00 0.00 42.46 41.02 2q42 s ILE 117 CO 0.45 -0.46 -0.24 -0.44 0.24 0.00 0.00 174.94 174.50 2q42 s SER 118 N -3.25 3.19 -0.23 4.36 0.01 0.31 -4.69 113.70 113.40 2q42 s SER 118 Ca 0.24 -0.80 -0.00 0.00 1.31 0.00 0.00 55.95 56.69 2q42 s SER 118 Cb -0.03 -0.22 0.03 0.00 0.21 0.00 0.00 66.02 66.01 2q42 s SER 118 CO 0.10 0.11 -0.10 -0.76 0.41 0.00 0.00 173.24 173.00 2q42 s LEU 119 N -2.37 2.95 -0.24 2.44 1.43 -0.13 -1.60 118.68 121.16 2q42 s LEU 119 Ca 0.16 -0.88 -0.09 0.00 -1.03 0.00 0.00 54.13 52.29 2q42 s LEU 119 Cb -0.09 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 2q42 s LEU 119 CO 0.07 -0.10 0.11 -0.47 0.23 0.00 0.00 176.35 176.20 2q42 s TYR 120 N 1.29 3.19 -0.77 0.29 5.04 -0.54 -0.57 117.35 125.27 2q42 s TYR 120 Ca 0.00 -0.08 -0.04 0.00 -2.44 0.00 0.00 57.07 54.50 2q42 s TYR 120 Cb -0.16 -2.25 0.20 0.00 0.35 0.00 0.00 41.96 40.10 2q42 s TYR 120 CO -0.07 -0.14 0.64 -0.06 -1.34 0.00 0.00 175.55 174.58 2q42 s PHE 121 N 1.31 3.66 0.50 4.97 0.08 0.64 -0.36 117.98 128.79 2q42 s PHE 121 Ca 0.06 -2.71 0.23 0.00 0.12 0.00 0.00 56.93 54.63 2q42 s PHE 121 Cb -0.15 -3.34 1.30 0.00 -0.57 0.00 0.00 43.02 40.27 2q42 s PHE 121 CO 0.05 -0.83 1.95 -1.00 -0.10 0.00 0.00 175.22 175.29 2q42 h PRO 122 N 6.77 0.13 -0.10 0.24 0.13 -1.79 -0.83 132.00 136.55 2q42 h PRO 122 Ca 0.07 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 65.10 2q42 h PRO 122 Cb 0.91 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 2q42 h PRO 122 CO 0.78 0.09 -0.37 0.78 -0.23 0.00 0.00 178.00 179.05 2q42 h GLY 123 N 0.13 0.22 -2.59 1.56 0.00 -1.92 -2.78 103.07 97.69 2q42 h GLY 123 Ca 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2q42 h GLY 123 CO -0.04 0.17 0.00 1.44 0.00 0.00 0.00 176.54 178.11 2q42 n SER 124 N -4.07 3.84 -3.90 0.19 7.64 -0.39 -4.96 113.62 111.97 2q42 n SER 124 Ca -0.01 -2.00 -0.38 0.00 1.01 0.00 0.00 58.87 57.49 2q42 n SER 124 Cb 0.44 -0.44 0.02 0.00 -1.01 0.00 0.00 64.21 63.23 2q42 n SER 124 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2q42 n ARG 125 N 1.60 -0.93 -3.72 1.43 1.74 -0.78 -4.92 116.66 111.07 2q42 n ARG 125 Ca 0.23 0.27 -0.14 0.00 -0.77 0.00 0.00 57.85 57.45 2q42 n ARG 125 Cb 0.62 -3.44 -0.09 0.00 -1.02 0.00 0.00 32.46 28.53 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 -3.57 -1.02 -0.03 7.54 0.00 -1.11 -2.26 121.76 121.32 2q42 s ALA 126 Ca 0.43 0.91 0.01 0.00 0.00 0.00 0.00 51.96 53.32 2q42 s ALA 126 Cb -0.20 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.57 2q42 s ALA 126 CO 0.92 -0.24 -0.04 -1.50 0.00 0.00 0.00 175.76 174.90 2q42 s ILE 127 N -0.42 0.43 -0.43 0.00 2.07 0.47 -0.26 121.20 123.05 2q42 s ILE 127 Ca -0.06 -0.12 -0.20 0.00 -1.41 0.00 0.00 60.65 58.87 2q42 s ILE 127 Cb -0.03 -0.44 0.02 0.00 0.13 0.00 0.00 42.46 42.14 2q42 s ILE 127 CO 0.03 0.17 0.58 -0.36 -1.91 0.00 0.00 174.94 173.46 2q42 s PHE 128 N 0.58 3.09 -1.82 3.50 0.08 0.26 0.06 117.98 123.73 2q42 s PHE 128 Ca -0.07 -0.15 0.20 0.00 0.12 0.00 0.00 56.93 57.02 2q42 s PHE 128 Cb -0.10 -3.22 -0.00 0.00 -0.57 0.00 0.00 43.02 39.12 2q42 s PHE 128 CO -0.00 -0.83 0.99 0.25 -0.10 0.00 0.00 175.22 175.54 2q42 n THR 129 N 5.73 0.00 0.00 0.64 -2.24 -0.99 -0.96 114.28 116.46 2q42 n THR 129 Ca -0.03 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 2q42 n THR 129 Cb 0.48 1.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 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 1.31 3.61 1.47 3.38 0.00 -1.25 -1.55 105.19 112.15 2q42 n GLY 130 Ca 0.08 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.21 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 5.47 4.94 -0.08 1.61 9.92 -1.26 -3.84 116.55 133.32 2q42 n ASP 131 Ca 0.00 -2.94 -0.15 0.00 -0.53 0.00 0.00 54.79 51.17 2q42 n ASP 131 Cb 0.00 -0.62 -0.12 0.00 -0.64 0.00 0.00 41.12 39.74 2q42 n ASP 131 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2q42 h THR 132 N 3.10 1.49 -3.30 -3.53 2.02 -1.63 -1.10 112.91 109.96 2q42 h THR 132 Ca 0.00 -2.22 -0.46 0.00 0.77 0.00 0.00 66.41 64.50 2q42 h THR 132 Cb 1.74 2.92 -0.36 0.00 -1.74 0.00 0.00 68.15 70.70 2q42 h THR 132 CO 0.37 0.51 -0.78 -0.32 0.37 0.00 0.00 175.52 175.67 2q42 s MET 133 N -2.21 1.00 0.45 6.66 -2.45 -1.25 -2.37 119.30 119.13 2q42 s MET 133 Ca -0.20 -0.09 0.07 0.00 -1.25 0.00 0.00 55.69 54.22 2q42 s MET 133 Cb -0.01 -1.14 0.07 0.00 1.25 0.00 0.00 34.83 35.00 2q42 s MET 133 CO 0.62 -0.21 0.57 1.19 1.05 0.00 0.00 175.02 178.24 2q42 n PHE 134 N 4.70 -2.10 -2.64 4.11 3.72 -0.13 -4.68 117.46 120.43 2q42 n PHE 134 Ca -0.14 -1.70 -0.43 0.00 -0.05 0.00 0.00 57.45 55.13 2q42 n PHE 134 Cb 0.50 -0.42 -0.02 0.00 -0.94 0.00 0.00 39.48 38.61 2q42 n PHE 134 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2q42 s SER 135 N -3.77 7.07 -0.37 4.37 0.15 -1.26 -3.42 113.70 116.47 2q42 s SER 135 Ca 0.43 1.38 0.00 0.00 0.70 0.00 0.00 55.95 58.46 2q42 s SER 135 Cb -0.03 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2q42 s SER 135 CO 0.27 -0.69 0.00 0.18 1.20 0.00 0.00 173.24 174.20 2q42 n LEU 136 N 6.39 -0.07 0.00 3.45 4.77 -1.26 -4.34 117.00 125.94 2q42 n LEU 136 Ca 0.12 0.09 -0.08 0.00 -0.03 0.00 0.00 56.01 56.10 2q42 n LEU 136 Cb 0.46 -1.26 0.03 0.00 -2.33 0.00 0.00 43.42 40.31 2q42 n LEU 136 CO 0.53 -0.37 0.51 -0.24 -1.33 0.00 0.00 177.39 176.49 2q42 n SER 137 N 0.21 -2.17 -4.35 -1.43 2.88 -1.22 -4.51 113.62 103.02 2q42 n SER 137 Ca -0.04 -2.50 -0.21 0.00 -1.33 0.00 0.00 58.87 54.80 2q42 n SER 137 Cb 0.21 3.61 -0.10 0.00 -0.75 0.00 0.00 64.21 67.18 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 -3.46 1.83 0.63 0.00 0.00 -0.42 -4.78 107.32 101.13 2q42 s GLY 139 Ca 0.35 0.29 -0.18 0.00 0.00 0.00 0.00 44.72 45.18 2q42 s GLY 139 CO 0.15 0.62 1.22 0.54 0.00 0.00 0.00 173.10 175.63 2q42 s LYS 140 N -4.67 2.71 -1.13 2.90 1.02 -1.26 -4.77 119.74 114.53 2q42 s LYS 140 Ca 0.62 1.85 -0.03 0.00 0.02 0.00 0.00 55.97 58.43 2q42 s LYS 140 Cb -0.17 -1.89 0.25 0.00 -0.52 0.00 0.00 37.83 35.50 2q42 s LYS 140 CO 0.50 -1.41 1.99 1.28 -0.92 0.00 0.00 175.35 176.78 2q42 n LEU 141 N -1.91 7.51 0.28 3.17 4.77 -1.26 -3.99 117.00 125.56 2q42 n LEU 141 Ca 0.14 -5.20 0.16 0.00 -0.03 0.00 0.00 56.01 51.08 2q42 n LEU 141 Cb 0.49 -1.25 0.84 0.00 -2.33 0.00 0.00 43.42 41.17 2q42 n LEU 141 CO 0.46 2.01 1.04 -0.26 -1.33 0.00 0.00 177.39 179.31 2q42 h PHE 142 N 4.46 0.00 0.00 -1.77 0.04 -1.74 -3.40 116.94 114.53 2q42 h PHE 142 Ca 0.57 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.34 2q42 h PHE 142 Cb 0.34 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.49 2q42 h PHE 142 CO 1.40 0.00 0.00 0.39 -0.60 0.00 0.00 178.31 179.50 2q42 n GLU 143 N -2.70 0.00 -0.80 1.51 1.02 -1.19 -5.02 120.64 113.45 2q42 n GLU 143 Ca -0.02 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.80 2q42 n GLU 143 Cb 0.21 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 31.73 2q42 n GLU 143 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2q42 n GLY 144 N 0.95 -2.63 3.96 0.62 0.00 0.83 -5.00 105.19 103.92 2q42 n GLY 144 Ca 0.00 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 2q42 n GLY 144 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2q42 s THR 145 N -2.10 4.63 0.43 2.61 -4.23 -1.26 -4.86 115.64 110.86 2q42 s THR 145 Ca 0.42 -0.74 0.11 0.00 -1.18 0.00 0.00 61.69 60.30 2q42 s THR 145 Cb -0.00 -3.66 0.29 0.00 1.34 0.00 0.00 72.50 70.47 2q42 s THR 145 CO 0.59 -0.35 2.03 -0.65 -0.54 0.00 0.00 174.62 175.70 2q42 h PRO 146 N 0.81 0.43 -0.37 3.99 0.11 -1.95 0.86 132.00 135.88 2q42 h PRO 146 Ca -0.48 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.44 2q42 h PRO 146 Cb 1.24 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2q42 h PRO 146 CO 0.58 0.29 -0.38 -0.22 -0.21 0.00 0.00 178.00 178.05 2q42 h LYS 147 N 0.44 0.90 -0.46 1.05 3.64 -1.93 -0.89 116.57 119.31 2q42 h LYS 147 Ca 0.19 -0.47 -0.09 0.00 -1.27 0.00 0.00 60.65 59.02 2q42 h LYS 147 Cb 0.22 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 2q42 h LYS 147 CO -0.05 1.12 -0.05 1.96 -2.27 0.00 0.00 179.45 180.16 2q42 h GLN 148 N 0.73 0.85 -0.50 1.90 4.20 -1.58 -1.82 115.11 118.89 2q42 h GLN 148 Ca 0.06 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.43 2q42 h GLN 148 Cb 0.97 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 2q42 h GLN 148 CO 0.09 0.92 0.13 1.98 -0.67 0.00 0.00 178.83 181.29 2q42 h MET 149 N 0.69 0.79 -0.49 1.46 4.05 -0.82 -0.91 114.93 119.69 2q42 h MET 149 Ca 0.12 -0.18 0.03 0.00 -0.28 0.00 0.00 59.70 59.39 2q42 h MET 149 Cb 0.58 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.23 2q42 h MET 149 CO 0.03 0.75 0.29 1.25 0.23 0.00 0.00 176.91 179.46 2q42 h LEU 150 N 0.68 0.45 -0.80 3.39 5.85 -0.97 0.13 115.31 124.04 2q42 h LEU 150 Ca 0.16 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2q42 h LEU 150 Cb 0.31 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 2q42 h LEU 150 CO -0.00 0.32 0.45 0.00 -0.34 0.00 0.00 178.44 178.87 2q42 h ALA 151 N 1.23 1.02 -0.72 1.25 0.00 -1.18 0.56 119.26 121.42 2q42 h ALA 151 Ca 0.20 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2q42 h ALA 151 Cb 0.04 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2q42 h ALA 151 CO -0.10 0.52 0.18 0.77 0.00 0.00 0.00 179.25 180.62 2q42 h SER 152 N 1.10 1.09 -0.44 0.00 0.02 -0.37 -0.53 113.55 114.42 2q42 h SER 152 Ca 0.28 -0.23 -0.13 0.00 -0.84 0.00 0.00 61.79 60.88 2q42 h SER 152 Cb 0.01 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 2q42 h SER 152 CO -0.05 1.04 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.39 2q42 h LEU 153 N 1.09 0.95 -1.34 5.07 3.38 -0.46 -2.02 115.31 121.98 2q42 h LEU 153 Ca 0.23 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 2q42 h LEU 153 Cb 0.37 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2q42 h LEU 153 CO 0.00 1.15 -0.31 1.56 0.09 0.00 0.00 178.44 180.92 2q42 h GLN 154 N 0.76 0.02 -0.42 1.13 4.20 -0.66 0.59 115.11 120.73 2q42 h GLN 154 Ca 0.10 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 2q42 h GLN 154 Cb 0.79 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 2q42 h GLN 154 CO 0.06 0.34 -0.04 0.87 -0.67 0.00 0.00 178.83 179.40 2q42 h LYS 155 N 0.02 0.77 -0.53 1.46 1.57 -0.79 -2.13 116.57 116.94 2q42 h LYS 155 Ca 0.00 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.40 2q42 h LYS 155 Cb 0.57 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 2q42 h LYS 155 CO 0.04 0.86 -0.14 0.82 -0.57 0.00 0.00 179.45 180.46 2q42 h ILE 156 N 0.60 1.27 0.00 1.86 2.04 -0.94 -3.06 117.51 119.28 2q42 h ILE 156 Ca 0.12 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.67 2q42 h ILE 156 Cb 0.54 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2q42 h ILE 156 CO 0.03 0.46 0.00 0.35 0.00 0.00 0.00 178.15 178.99 2q42 n THR 157 N -4.13 0.03 1.09 -0.27 -2.24 0.16 -2.76 114.28 106.16 2q42 n THR 157 Ca 0.01 0.01 0.14 0.00 -2.27 0.00 0.00 64.05 61.93 2q42 n THR 157 Cb 0.42 -0.52 0.53 0.00 -2.10 0.00 0.00 70.33 68.66 2q42 n THR 157 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2q42 n SER 158 N -1.19 0.22 -4.75 3.42 3.41 -0.81 -4.82 113.62 109.08 2q42 n SER 158 Ca 0.17 0.08 -0.30 0.00 -0.26 0.00 0.00 58.87 58.56 2q42 n SER 158 Cb 0.19 -0.21 0.12 0.00 -0.26 0.00 0.00 64.21 64.05 2q42 n SER 158 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2q42 s LEU 159 N -2.89 2.36 0.49 1.04 1.43 -1.11 -4.96 118.68 115.04 2q42 s LEU 159 Ca 0.17 1.39 -0.22 0.00 -1.03 0.00 0.00 54.13 54.43 2q42 s LEU 159 Cb 0.19 -3.88 -0.08 0.00 0.03 0.00 0.00 46.19 42.45 2q42 s LEU 159 CO 0.56 -2.39 1.08 -2.65 0.23 0.00 0.00 176.35 173.18 2q42 n PRO 160 N -3.72 1.37 0.21 1.29 -0.02 -1.26 -4.84 135.00 128.03 2q42 n PRO 160 Ca 0.07 0.50 0.16 0.00 -2.02 0.00 0.00 63.50 62.21 2q42 n PRO 160 Cb 0.56 -2.20 0.82 0.00 -0.02 0.00 0.00 33.50 32.65 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 1.32 0.00 -0.42 2.55 5.19 -1.93 -0.23 116.42 122.90 2q42 h ASP 161 Ca -0.47 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 55.86 2q42 h ASP 161 Cb 1.33 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.79 2q42 h ASP 161 CO 0.56 0.00 0.10 -0.90 -3.12 0.00 0.00 179.24 175.88 2q42 n ASP 162 N -3.92 3.80 -4.60 6.45 5.75 -1.26 -0.97 116.55 121.80 2q42 n ASP 162 Ca 0.01 -2.68 -0.42 0.00 -0.01 0.00 0.00 54.79 51.69 2q42 n ASP 162 Cb 0.28 -0.64 -0.05 0.00 -1.03 0.00 0.00 41.12 39.68 2q42 n ASP 162 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2q42 s THR 163 N -2.07 4.81 0.22 2.12 2.01 -0.10 -4.90 115.64 117.74 2q42 s THR 163 Ca 0.34 0.97 -0.30 0.00 0.31 0.00 0.00 61.69 63.01 2q42 s THR 163 Cb 0.27 -4.13 -0.09 0.00 0.01 0.00 0.00 72.50 68.56 2q42 s THR 163 CO 0.09 -0.30 0.99 -0.44 -0.69 0.00 0.00 174.62 174.27 2q42 s SER 164 N 1.71 7.52 0.02 3.53 0.01 -0.96 0.19 113.70 125.72 2q42 s SER 164 Ca 0.30 2.01 0.04 0.00 1.31 0.00 0.00 55.95 59.61 2q42 s SER 164 Cb -0.14 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.45 2q42 s SER 164 CO 0.14 0.03 -0.10 -0.63 0.41 0.00 0.00 173.24 173.10 2q42 s ILE 165 N -0.93 3.41 -0.22 1.44 1.01 -0.86 -0.40 121.20 124.65 2q42 s ILE 165 Ca 0.43 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 2q42 s ILE 165 Cb -0.27 -2.48 0.07 0.00 0.01 0.00 0.00 42.46 39.79 2q42 s ILE 165 CO 0.34 0.37 0.02 -0.31 0.00 0.00 0.00 174.94 175.35 2q42 s TYR 166 N -0.98 1.59 0.27 3.97 2.02 0.11 -2.47 117.35 121.85 2q42 s TYR 166 Ca 0.17 -1.29 0.04 0.00 -0.37 0.00 0.00 57.07 55.62 2q42 s TYR 166 Cb -0.11 -1.32 0.04 0.00 -0.40 0.00 0.00 41.96 40.18 2q42 s TYR 166 CO 0.07 -0.70 0.36 0.00 -1.57 0.00 0.00 175.55 173.71 2q42 n GLY 168 N 1.77 4.79 3.61 0.00 0.00 -1.25 -4.45 105.19 109.66 2q42 n GLY 168 Ca 0.07 -1.22 -0.03 0.00 0.00 0.00 0.00 46.02 44.85 2q42 n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2q42 s HIS 169 N -3.30 -1.07 -0.76 1.61 3.76 -1.24 -2.46 115.29 111.83 2q42 s HIS 169 Ca 0.50 1.96 -0.24 0.00 -0.15 0.00 0.00 55.06 57.13 2q42 s HIS 169 Cb 0.44 0.64 0.06 0.00 1.11 0.00 0.00 32.58 34.83 2q42 s HIS 169 CO 0.04 -0.53 1.16 -2.00 -0.85 0.00 0.00 174.74 172.56 2q42 s GLU 170 N 2.27 3.25 0.00 1.40 2.56 0.19 -4.71 118.70 123.67 2q42 s GLU 170 Ca -0.07 -0.76 0.00 0.00 0.00 0.00 0.00 54.97 54.14 2q42 s GLU 170 Cb -0.08 -4.44 0.00 0.00 2.00 0.00 0.00 34.13 31.61 2q42 s GLU 170 CO -0.19 -1.98 0.50 0.66 -0.56 0.00 0.00 175.26 173.69 2q42 n TYR 171 N 8.33 0.00 0.00 5.30 4.01 -1.26 -4.92 117.16 128.62 2q42 n TYR 171 Ca 0.06 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 2q42 n TYR 171 Cb 0.48 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 2q42 n TYR 171 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 2q42 n THR 172 N -0.03 0.00 -0.32 -0.72 -1.04 -1.26 0.18 114.28 111.09 2q42 n THR 172 Ca 0.00 1.19 0.18 0.00 -2.04 0.00 0.00 64.05 63.38 2q42 n THR 172 Cb 0.03 -2.12 0.34 0.00 -1.82 0.00 0.00 70.33 66.75 2q42 n THR 172 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2q42 n LEU 173 N -1.18 -0.02 0.01 -4.42 7.94 -1.26 0.14 117.00 118.21 2q42 n LEU 173 Ca 0.00 1.60 -0.10 0.00 -1.11 0.00 0.00 56.01 56.40 2q42 n LEU 173 Cb 0.00 -0.63 -0.03 0.00 0.53 0.00 0.00 43.42 43.29 2q42 n LEU 173 CO 0.00 -1.66 0.70 -1.28 -1.11 0.00 0.00 177.39 174.04 2q42 h SER 174 N 0.00 -0.74 -0.29 1.96 0.87 -1.84 -2.99 113.55 110.53 2q42 h SER 174 Ca 0.62 0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 61.27 2q42 h SER 174 Cb 1.39 0.33 -0.01 0.00 -0.44 0.00 0.00 62.40 63.66 2q42 h SER 174 CO -0.86 -0.29 0.04 0.78 -0.53 0.00 0.00 176.83 175.97 2q42 h ASN 175 N -0.31 0.46 -1.16 6.23 2.35 0.55 -3.13 115.58 120.58 2q42 h ASN 175 Ca 0.10 -0.27 0.33 0.00 -0.55 0.00 0.00 56.30 55.90 2q42 h ASN 175 Cb 0.45 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.63 2q42 h ASN 175 CO -0.30 0.62 0.80 0.77 -1.65 0.00 0.00 177.43 177.66 2q42 h SER 176 N 0.29 0.19 0.14 5.81 4.64 -0.38 0.50 113.55 124.73 2q42 h SER 176 Ca 0.09 0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.32 2q42 h SER 176 Cb 0.36 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 2q42 h SER 176 CO 0.01 0.02 -0.45 0.11 -0.87 0.00 0.00 176.83 175.65 2q42 h LYS 177 N 0.15 0.38 -0.03 4.77 1.57 -1.48 0.49 116.57 122.42 2q42 h LYS 177 Ca 0.60 -0.20 -0.19 0.00 -1.87 0.00 0.00 60.65 58.99 2q42 h LYS 177 Cb 2.04 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.35 2q42 h LYS 177 CO -0.15 0.76 -0.81 0.35 -0.57 0.00 0.00 179.45 179.03 2q42 h PHE 178 N 0.31 0.44 -0.20 -1.35 3.57 -0.17 -2.74 116.94 116.79 2q42 h PHE 178 Ca 0.02 -0.22 -0.16 0.00 3.53 0.00 0.00 57.97 61.15 2q42 h PHE 178 Cb 0.91 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 2q42 h PHE 178 CO 0.03 0.99 -0.52 0.00 -2.23 0.00 0.00 178.31 176.58 2q42 h ALA 179 N 0.94 0.71 0.00 2.41 0.00 -0.98 -2.97 119.26 119.37 2q42 h ALA 179 Ca -0.04 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 2q42 h ALA 179 Cb 1.41 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2q42 h ALA 179 CO 0.13 0.68 -0.22 -0.07 0.00 0.00 0.00 179.25 179.77 2q42 h LEU 180 N 0.45 0.00 -0.74 0.00 3.38 -0.88 -0.27 115.31 117.25 2q42 h LEU 180 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2q42 h LEU 180 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 2q42 h LEU 180 CO 0.10 0.22 -0.06 0.77 0.09 0.00 0.00 178.44 179.56 2q42 h SER 181 N 0.00 0.00 0.00 -0.43 4.64 -1.33 -3.06 113.55 113.37 2q42 h SER 181 Ca -0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 2q42 h SER 181 Cb 0.72 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.74 2q42 h SER 181 CO 0.03 0.06 -2.39 0.18 -0.87 0.00 0.00 176.83 173.84 2q42 n LEU 182 N -3.14 1.94 -3.13 5.97 4.77 -0.75 -4.76 117.00 117.91 2q42 n LEU 182 Ca 0.02 -0.09 -0.21 0.00 -0.03 0.00 0.00 56.01 55.70 2q42 n LEU 182 Cb 0.44 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 2q42 n LEU 182 CO 0.31 0.77 -0.12 1.21 -1.33 0.00 0.00 177.39 178.23 2q42 n GLU 183 N -3.05 1.62 0.31 3.23 2.13 -0.18 -3.93 120.64 120.76 2q42 n GLU 183 Ca -0.40 -3.81 0.19 0.00 0.66 0.00 0.00 57.16 53.81 2q42 n GLU 183 Cb 1.03 -1.84 1.01 0.00 0.27 0.00 0.00 31.44 31.91 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 3.07 0.00 -0.10 5.31 0.13 -1.74 -2.14 132.00 136.53 2q42 h PRO 184 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2q42 h PRO 184 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2q42 h PRO 184 CO 0.59 0.02 0.00 0.09 -0.23 0.00 0.00 178.00 178.47 2q42 n ASN 185 N -3.25 1.05 -4.51 1.44 5.03 -1.26 -4.68 115.26 109.08 2q42 n ASN 185 Ca -0.02 -1.61 -0.43 0.00 0.87 0.00 0.00 54.58 53.39 2q42 n ASN 185 Cb 0.15 -0.07 -0.04 0.00 -1.02 0.00 0.00 39.78 38.80 2q42 n ASN 185 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 2q42 s ASN 186 N -1.57 6.29 0.47 6.41 3.84 -0.81 -4.89 114.94 124.70 2q42 s ASN 186 Ca 0.30 -0.50 0.27 0.00 0.21 0.00 0.00 52.86 53.14 2q42 s ASN 186 Cb 0.16 -2.44 1.05 0.00 -0.55 0.00 0.00 41.25 39.46 2q42 s ASN 186 CO 0.24 -1.32 1.87 -0.33 -2.79 0.00 0.00 177.10 174.78 2q42 h GLU 187 N 9.42 0.00 -0.24 0.43 5.08 -1.89 -1.05 114.58 126.33 2q42 h GLU 187 Ca -0.27 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 57.91 2q42 h GLU 187 Cb 1.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2q42 h GLU 187 CO 1.12 0.15 -0.57 0.28 -1.00 0.00 0.00 179.01 179.00 2q42 h VAL 188 N 0.00 1.29 -0.50 3.13 2.07 -1.90 -1.78 116.25 118.56 2q42 h VAL 188 Ca -0.00 -1.78 -0.12 0.00 0.82 0.00 0.00 66.70 65.62 2q42 h VAL 188 Cb 0.67 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 2q42 h VAL 188 CO 0.02 0.57 -0.16 0.25 0.02 0.00 0.00 177.57 178.27 2q42 h LEU 189 N 0.58 0.98 -0.33 2.57 5.85 -1.62 -0.23 115.31 123.11 2q42 h LEU 189 Ca 0.01 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2q42 h LEU 189 Cb 1.16 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2q42 h LEU 189 CO 0.12 1.12 0.20 1.56 -0.34 0.00 0.00 178.44 181.10 2q42 h GLN 190 N 0.85 0.44 -0.36 1.25 4.20 -1.10 0.19 115.11 120.58 2q42 h GLN 190 Ca 0.12 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.74 2q42 h GLN 190 Cb 0.72 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 2q42 h GLN 190 CO 0.06 0.32 -0.02 0.77 -0.67 0.00 0.00 178.83 179.28 2q42 h SER 191 N 0.43 0.64 -0.58 1.46 0.02 -1.22 -0.93 113.55 113.38 2q42 h SER 191 Ca 0.12 -0.32 -0.05 0.00 -0.84 0.00 0.00 61.79 60.70 2q42 h SER 191 Cb -0.02 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 2q42 h SER 191 CO -0.02 0.81 0.17 0.22 -1.14 0.00 0.00 176.83 176.87 2q42 h TYR 192 N 0.46 0.94 -0.69 3.45 3.20 -0.83 -0.50 116.97 123.01 2q42 h TYR 192 Ca 0.10 -0.10 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 2q42 h TYR 192 Cb 0.49 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 2q42 h TYR 192 CO 0.04 0.79 0.23 0.00 -1.64 0.00 0.00 178.16 177.58 2q42 h ALA 193 N 1.04 1.12 -0.48 1.82 0.00 -0.52 -0.48 119.26 121.77 2q42 h ALA 193 Ca 0.18 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2q42 h ALA 193 Cb 0.30 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2q42 h ALA 193 CO -0.00 0.61 0.01 0.00 0.00 0.00 0.00 179.25 179.87 2q42 h ALA 194 N 1.25 0.64 -0.72 0.00 0.00 -0.83 -1.13 119.26 118.47 2q42 h ALA 194 Ca 0.23 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2q42 h ALA 194 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2q42 h ALA 194 CO -0.01 0.44 0.31 1.25 0.00 0.00 0.00 179.25 181.23 2q42 h HIS 195 N 0.69 1.06 -0.26 0.00 6.17 -0.67 -2.00 115.15 120.13 2q42 h HIS 195 Ca 0.14 -0.06 -0.01 0.00 0.71 0.00 0.00 60.37 61.14 2q42 h HIS 195 Cb 0.49 -0.32 -0.01 0.00 2.52 0.00 0.00 27.41 30.09 2q42 h HIS 195 CO 0.04 0.79 0.11 0.28 0.71 0.00 0.00 177.93 179.86 2q42 h VAL 196 N 1.04 1.17 -0.93 5.26 2.07 -0.88 -0.76 116.25 123.21 2q42 h VAL 196 Ca 0.25 -0.51 0.11 0.00 0.82 0.00 0.00 66.70 67.37 2q42 h VAL 196 Cb 0.16 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.87 2q42 h VAL 196 CO -0.03 0.17 0.56 0.00 0.02 0.00 0.00 177.57 178.30 2q42 h ALA 197 N 0.95 1.38 -0.45 1.67 0.00 -0.80 0.15 119.26 122.16 2q42 h ALA 197 Ca 0.09 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2q42 h ALA 197 Cb 0.17 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2q42 h ALA 197 CO -0.01 0.17 0.11 0.93 0.00 0.00 0.00 179.25 180.45 2q42 h GLU 198 N 0.91 0.72 -0.45 0.00 5.08 -0.88 -1.05 114.58 118.90 2q42 h GLU 198 Ca 0.46 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 2q42 h GLU 198 Cb 0.45 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2q42 h GLU 198 CO -0.26 0.72 0.21 -0.07 -1.00 0.00 0.00 179.01 178.60 2q42 h LEU 199 N 0.60 0.60 0.23 1.33 3.38 0.16 -2.76 115.31 118.84 2q42 h LEU 199 Ca 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2q42 h LEU 199 Cb 0.32 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2q42 h LEU 199 CO 0.00 0.57 -0.11 0.03 0.09 0.00 0.00 178.44 179.03 2q42 h ARG 200 N 0.59 -0.29 0.00 1.13 2.47 -0.67 0.73 114.38 118.33 2q42 h ARG 200 Ca 0.15 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 2q42 h ARG 200 Cb 0.14 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 2q42 h ARG 200 CO -0.02 0.05 0.29 0.66 0.56 0.00 0.00 179.97 181.51 2q42 h SER 201 N -0.68 0.00 -0.44 7.04 4.64 -1.20 0.75 113.55 123.67 2q42 h SER 201 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2q42 h SER 201 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2q42 h SER 201 CO 0.05 0.00 0.00 2.29 -0.87 0.00 0.00 176.83 178.30 2q42 n LYS 202 N -2.46 3.13 -3.13 4.77 2.85 -1.00 -5.00 118.16 117.33 2q42 n LYS 202 Ca -0.01 -2.53 -0.23 0.00 -1.05 0.00 0.00 58.31 54.49 2q42 n LYS 202 Cb 0.32 -1.61 0.04 0.00 -0.65 0.00 0.00 35.03 33.13 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 0.52 -5.08 -4.21 -1.58 5.02 0.26 -5.01 118.16 108.09 2q42 n LYS 203 Ca 0.19 0.85 -0.23 0.00 -2.02 0.00 0.00 58.31 57.10 2q42 n LYS 203 Cb 0.69 -5.73 -0.07 0.00 -0.02 0.00 0.00 35.03 29.90 2q42 n LYS 203 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2q42 s LEU 204 N -6.75 3.20 0.76 -0.35 1.43 0.18 -5.01 118.68 112.14 2q42 s LEU 204 Ca 0.35 -0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 2q42 s LEU 204 Cb -0.16 -1.67 0.04 0.00 0.03 0.00 0.00 46.19 44.43 2q42 s LEU 204 CO 0.43 -0.19 1.08 -2.84 0.23 0.00 0.00 176.35 175.07 2q42 s PRO 205 N -3.77 2.43 0.00 1.29 0.02 -1.26 -4.17 135.00 129.54 2q42 s PRO 205 Ca 0.35 0.85 0.06 0.00 0.02 0.00 0.00 61.00 62.28 2q42 s PRO 205 Cb -0.03 -1.94 0.11 0.00 0.02 0.00 0.00 34.50 32.65 2q42 s PRO 205 CO 0.21 -1.43 0.93 0.25 -0.33 0.00 0.00 177.00 176.63 2q42 n THR 206 N -3.34 0.56 -4.35 0.99 -2.24 -1.26 -4.91 114.28 99.73 2q42 n THR 206 Ca 0.07 -0.78 -0.31 0.00 -2.27 0.00 0.00 64.05 60.76 2q42 n THR 206 Cb 0.55 0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.77 3.55 0.79 2.28 -1.09 -1.26 -4.43 121.20 120.27 2q42 s ILE 207 Ca 0.10 -0.99 -0.11 0.00 -2.23 0.00 0.00 60.65 57.42 2q42 s ILE 207 Cb 0.06 -2.60 0.07 0.00 -1.58 0.00 0.00 42.46 38.41 2q42 s ILE 207 CO 0.08 0.26 1.09 -2.16 -1.23 0.00 0.00 174.94 172.98 2q42 s PRO 208 N -1.79 2.08 -0.26 2.79 0.04 -1.26 -5.10 135.00 131.50 2q42 s PRO 208 Ca 0.19 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.38 2q42 s PRO 208 Cb -0.11 -1.88 0.07 0.00 0.04 0.00 0.00 34.50 32.61 2q42 s PRO 208 CO 0.11 -1.75 -0.05 -0.08 0.04 0.00 0.00 177.00 175.26 2q42 s THR 209 N -2.90 1.77 0.93 1.26 -1.32 -1.03 -4.87 115.64 109.47 2q42 s THR 209 Ca 0.62 -1.46 -0.10 0.00 -1.21 0.00 0.00 61.69 59.53 2q42 s THR 209 Cb -0.17 -2.02 0.15 0.00 -1.51 0.00 0.00 72.50 68.95 2q42 s THR 209 CO 0.56 -0.15 1.13 0.42 -2.21 0.00 0.00 174.62 174.37 2q42 s THR 210 N 1.27 2.16 0.24 5.08 -4.23 -1.26 -2.02 115.64 116.88 2q42 s THR 210 Ca -0.05 0.05 -0.05 0.00 -1.18 0.00 0.00 61.69 60.47 2q42 s THR 210 Cb -0.19 -2.12 0.22 0.00 1.34 0.00 0.00 72.50 71.75 2q42 s THR 210 CO -0.07 -0.07 1.83 0.58 -0.54 0.00 0.00 174.62 176.36 2q42 h VAL 211 N -1.90 0.98 -0.67 2.29 2.07 -0.34 -2.69 116.25 116.00 2q42 h VAL 211 Ca -0.45 -0.31 0.14 0.00 0.82 0.00 0.00 66.70 66.90 2q42 h VAL 211 Cb 1.27 0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 30.94 2q42 h VAL 211 CO 0.43 0.16 -0.01 0.50 0.02 0.00 0.00 177.57 178.68 2q42 h LYS 212 N 0.90 0.10 -0.19 1.57 3.64 -1.32 0.31 116.57 121.58 2q42 h LYS 212 Ca 0.39 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.73 2q42 h LYS 212 Cb 0.26 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2q42 h LYS 212 CO -0.21 0.07 -0.01 1.98 -2.27 0.00 0.00 179.45 179.01 2q42 h MET 213 N 0.11 0.34 0.00 1.90 4.05 -1.76 -2.63 114.93 116.94 2q42 h MET 213 Ca 0.35 -0.11 -0.03 0.00 -0.28 0.00 0.00 59.70 59.62 2q42 h MET 213 Cb 0.58 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.35 2q42 h MET 213 CO -0.58 0.56 -0.17 0.93 0.23 0.00 0.00 176.91 177.88 2q42 h GLU 214 N 0.09 0.00 -0.13 0.39 4.39 -1.22 0.21 114.58 118.31 2q42 h GLU 214 Ca 0.05 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.66 2q42 h GLU 214 Cb 0.41 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2q42 h GLU 214 CO 0.01 0.17 -0.32 0.87 -1.16 0.00 0.00 179.01 178.57 2q42 h LYS 215 N 0.00 0.26 -0.06 2.33 1.57 -0.77 -1.50 116.57 118.40 2q42 h LYS 215 Ca -0.00 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2q42 h LYS 215 Cb 0.32 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2q42 h LYS 215 CO 0.02 0.56 0.00 0.00 -0.57 0.00 0.00 179.45 179.46 2q42 n ALA 216 N -2.48 2.51 0.00 3.86 0.00 0.49 -4.63 120.51 120.26 2q42 n ALA 216 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2q42 n ALA 216 Cb 0.42 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2q42 n ALA 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2q42 s ASN 218 N -0.05 6.65 0.60 0.00 2.47 -0.59 -4.92 114.94 119.10 2q42 s ASN 218 Ca 0.00 0.53 0.30 0.00 0.42 0.00 0.00 52.86 54.11 2q42 s ASN 218 Cb 0.00 -2.45 1.66 0.00 -1.45 0.00 0.00 41.25 39.01 2q42 s ASN 218 CO 0.00 -0.83 2.06 1.55 -3.72 0.00 0.00 177.10 176.16 2q42 h PRO 219 N 8.47 0.00 0.00 0.43 0.13 -1.89 0.13 132.00 139.28 2q42 h PRO 219 Ca -0.23 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2q42 h PRO 219 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2q42 h PRO 219 CO 0.97 0.00 -0.01 0.74 -0.23 0.00 0.00 178.00 179.46 2q42 h PHE 220 N 0.00 0.00 -0.40 1.56 0.04 -1.92 -1.94 116.94 114.29 2q42 h PHE 220 Ca 0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 2q42 h PHE 220 Cb 0.61 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.76 2q42 h PHE 220 CO 0.00 0.01 0.00 1.28 -0.60 0.00 0.00 178.31 179.00 2q42 n LEU 221 N -3.11 3.40 -0.93 1.54 4.77 0.45 -4.37 117.00 118.75 2q42 n LEU 221 Ca 0.01 -1.48 0.05 0.00 -0.03 0.00 0.00 56.01 54.56 2q42 n LEU 221 Cb 0.31 -0.26 0.09 0.00 -2.33 0.00 0.00 43.42 41.23 2q42 n LEU 221 CO 0.27 0.74 0.23 0.54 -1.33 0.00 0.00 177.39 177.84 2q42 n ARG 222 N 1.45 0.62 0.18 3.23 1.74 -0.74 -4.89 116.66 118.25 2q42 n ARG 222 Ca 0.20 -2.32 0.13 0.00 -0.77 0.00 0.00 57.85 55.09 2q42 n ARG 222 Cb 0.60 -0.73 0.65 0.00 -1.02 0.00 0.00 32.46 31.96 2q42 n ARG 222 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2q42 h SER 223 N 0.75 0.00 0.65 0.55 4.64 -1.72 0.46 113.55 118.88 2q42 h SER 223 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2q42 h SER 223 Cb 1.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 2q42 h SER 223 CO 0.04 0.00 -0.22 -1.54 -0.87 0.00 0.00 176.83 174.25 2q42 n SER 224 N -2.40 0.32 -4.69 4.97 3.41 -1.26 -4.59 113.62 109.37 2q42 n SER 224 Ca -0.01 -0.07 -0.44 0.00 -0.26 0.00 0.00 58.87 58.10 2q42 n SER 224 Cb 0.10 -0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 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 -1.35 3.60 0.25 4.04 2.85 0.15 -4.85 115.26 119.94 2q42 n ASN 225 Ca 0.08 1.06 0.09 0.00 -0.11 0.00 0.00 54.58 55.71 2q42 n ASN 225 Cb 0.32 -1.50 0.64 0.00 1.24 0.00 0.00 39.78 40.48 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 3.83 0.82 -0.14 -0.44 2.02 -1.88 -2.24 112.91 114.87 2q42 h THR 226 Ca -0.44 -0.55 -0.14 0.00 0.77 0.00 0.00 66.41 66.05 2q42 h THR 226 Cb 1.23 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 2q42 h THR 226 CO 0.93 0.14 -0.45 0.44 0.37 0.00 0.00 175.52 176.95 2q42 h ASP 227 N 0.00 0.63 -0.55 4.18 3.32 -1.89 -1.56 116.42 120.55 2q42 h ASP 227 Ca -0.00 -0.60 -0.05 0.00 0.02 0.00 0.00 57.03 56.40 2q42 h ASP 227 Cb 0.31 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2q42 h ASP 227 CO 0.02 1.12 0.16 0.40 -1.72 0.00 0.00 179.24 179.22 2q42 h ILE 228 N 0.18 1.24 -0.18 0.35 2.04 -1.63 -0.58 117.51 118.93 2q42 h ILE 228 Ca -0.02 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 2q42 h ILE 228 Cb 1.07 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2q42 h ILE 228 CO 0.09 0.31 0.08 0.03 0.00 0.00 0.00 178.15 178.67 2q42 h ARG 229 N 0.78 0.26 -0.36 2.37 3.08 -1.38 -2.21 114.38 116.91 2q42 h ARG 229 Ca 0.18 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 2q42 h ARG 229 Cb 0.31 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 2q42 h ARG 229 CO -0.00 0.30 0.06 -0.09 -1.07 0.00 0.00 179.97 179.17 2q42 h ARG 230 N 0.15 0.54 -0.36 0.04 2.43 -1.22 0.56 114.38 116.52 2q42 h ARG 230 Ca 0.06 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 2q42 h ARG 230 Cb 0.13 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2q42 h ARG 230 CO -0.01 0.52 0.03 0.00 -1.51 0.00 0.00 179.97 179.01 2q42 h ALA 231 N 1.54 1.39 -0.39 2.80 0.00 -0.76 -3.09 119.26 120.75 2q42 h ALA 231 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2q42 h ALA 231 Cb 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2q42 h ALA 231 CO 0.00 0.43 0.00 1.28 0.00 0.00 0.00 179.25 180.96 2q42 n LEU 232 N -4.30 3.53 -3.75 0.00 4.77 -0.86 -4.97 117.00 111.41 2q42 n LEU 232 Ca 0.02 -2.34 -0.22 0.00 -0.03 0.00 0.00 56.01 53.44 2q42 n LEU 232 Cb 0.23 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 40.96 2q42 n LEU 232 CO 0.39 0.74 -0.10 -1.14 -1.33 0.00 0.00 177.39 175.95 2q42 n ARG 233 N 0.40 -4.61 -3.10 3.23 0.63 0.66 -4.93 116.66 108.95 2q42 n ARG 233 Ca 0.17 0.58 -0.42 0.00 -0.92 0.00 0.00 57.85 57.26 2q42 n ARG 233 Cb 0.63 -5.06 -0.07 0.00 0.45 0.00 0.00 32.46 28.42 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 -3.72 4.87 0.64 5.15 1.01 0.16 -5.01 121.20 124.30 2q42 s ILE 234 Ca 0.02 0.54 -0.18 0.00 0.00 0.00 0.00 60.65 61.02 2q42 s ILE 234 Cb -0.01 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 2q42 s ILE 234 CO 0.83 -0.36 1.21 -2.65 0.00 0.00 0.00 174.94 173.97 2q42 n PRO 235 N 6.10 1.05 0.27 2.79 -0.02 -1.26 -4.56 135.00 139.37 2q42 n PRO 235 Ca -0.01 0.41 0.13 0.00 -2.02 0.00 0.00 63.50 62.01 2q42 n PRO 235 Cb 0.48 -2.45 0.76 0.00 -0.02 0.00 0.00 33.50 32.28 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 0.49 0.00 0.00 -0.52 5.08 -1.97 -2.24 114.58 115.42 2q42 h GLU 236 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2q42 h GLU 236 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2q42 h GLU 236 CO 0.52 0.09 0.00 0.00 -1.00 0.00 0.00 179.01 178.63 2q42 h ALA 237 N 1.91 1.00 -2.78 3.43 0.00 -2.03 -3.45 119.26 117.33 2q42 h ALA 237 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 2q42 h ALA 237 Cb 0.24 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.08 2q42 h ALA 237 CO 0.01 0.00 0.53 0.00 0.00 0.00 0.00 179.25 179.79 2q42 s ALA 238 N -3.23 3.30 0.99 0.00 0.00 -0.85 -5.02 121.76 116.96 2q42 s ALA 238 Ca 0.07 1.02 -0.15 0.00 0.00 0.00 0.00 51.96 52.90 2q42 s ALA 238 Cb 0.10 -3.39 0.21 0.00 0.00 0.00 0.00 23.12 20.05 2q42 s ALA 238 CO 0.51 -0.46 1.27 -0.40 0.00 0.00 0.00 175.76 176.68 2q42 n ASP 239 N 0.54 0.16 -0.10 0.00 5.68 -1.26 -4.77 116.55 116.80 2q42 n ASP 239 Ca 0.02 -1.50 -0.01 0.00 -0.50 0.00 0.00 54.79 52.80 2q42 n ASP 239 Cb 0.45 -0.96 0.24 0.00 -1.14 0.00 0.00 41.12 39.71 2q42 n ASP 239 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2q42 h GLU 240 N 0.00 0.74 -0.63 0.11 5.08 -1.95 0.27 114.58 118.20 2q42 h GLU 240 Ca -0.41 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 57.78 2q42 h GLU 240 Cb 1.14 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 2q42 h GLU 240 CO 0.30 0.66 0.24 0.00 -1.00 0.00 0.00 179.01 179.21 2q42 h ALA 241 N 1.43 0.82 -0.23 3.43 0.00 -1.93 0.21 119.26 123.00 2q42 h ALA 241 Ca 0.17 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2q42 h ALA 241 Cb 0.24 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2q42 h ALA 241 CO -0.01 0.45 -0.25 0.93 0.00 0.00 0.00 179.25 180.37 2q42 h GLU 242 N 0.89 0.58 0.11 0.00 5.08 -1.78 -2.66 114.58 116.80 2q42 h GLU 242 Ca 0.21 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2q42 h GLU 242 Cb 0.22 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 2q42 h GLU 242 CO -0.02 0.91 -0.07 0.00 -1.00 0.00 0.00 179.01 178.84 2q42 h ALA 243 N 0.66 -0.16 -0.53 3.43 0.00 -0.67 -1.49 119.26 120.50 2q42 h ALA 243 Ca 0.03 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.02 2q42 h ALA 243 Cb 0.82 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 2q42 h ALA 243 CO 0.06 -0.60 -0.07 1.25 0.00 0.00 0.00 179.25 179.90 2q42 h LEU 244 N -0.17 -0.37 -0.91 0.00 6.46 -1.02 -0.37 115.31 118.94 2q42 h LEU 244 Ca -0.01 0.15 0.01 0.00 -0.12 0.00 0.00 57.88 57.90 2q42 h LEU 244 Cb 0.14 0.28 -0.04 0.00 -0.73 0.00 0.00 40.66 40.31 2q42 h LEU 244 CO 0.01 -0.13 0.59 1.23 -0.62 0.00 0.00 178.44 179.51 2q42 h GLY 245 N 0.05 1.29 1.25 3.75 0.00 -1.24 0.14 103.07 108.31 2q42 h GLY 245 Ca 0.26 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2q42 h GLY 245 CO -0.50 0.49 0.40 -2.22 0.00 0.00 0.00 176.54 174.70 2q42 h ILE 246 N 1.24 1.21 -0.33 2.60 2.04 -0.05 0.36 117.51 124.58 2q42 h ILE 246 Ca 0.33 -0.52 -0.15 0.00 1.00 0.00 0.00 64.86 65.52 2q42 h ILE 246 Cb -0.12 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.20 2q42 h ILE 246 CO -0.07 0.23 -0.37 0.40 0.00 0.00 0.00 178.15 178.35 2q42 h ILE 247 N 1.00 1.28 -0.72 -0.67 2.04 -0.45 -2.27 117.51 117.72 2q42 h ILE 247 Ca 0.25 -1.54 -0.06 0.00 1.00 0.00 0.00 64.86 64.51 2q42 h ILE 247 Cb 0.02 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 2q42 h ILE 247 CO -0.04 0.51 0.20 -0.09 0.00 0.00 0.00 178.15 178.73 2q42 h ARG 248 N 0.62 1.13 -0.23 2.37 9.65 -0.06 0.11 114.38 127.98 2q42 h ARG 248 Ca 0.05 -0.26 -0.14 0.00 -1.10 0.00 0.00 59.98 58.53 2q42 h ARG 248 Cb 0.96 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.37 2q42 h ARG 248 CO 0.09 0.98 -0.44 0.87 2.80 0.00 0.00 179.97 184.27 2q42 h LYS 249 N 1.08 0.57 -0.01 0.20 1.57 -0.97 -2.29 116.57 116.72 2q42 h LYS 249 Ca 0.23 -0.31 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 2q42 h LYS 249 Cb 0.33 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2q42 h LYS 249 CO -0.00 0.90 -0.52 0.00 -0.57 0.00 0.00 179.45 179.26 2q42 h ALA 250 N 1.06 1.13 -0.22 3.86 0.00 -0.87 -2.92 119.26 121.28 2q42 h ALA 250 Ca 0.03 -0.47 -0.20 0.00 0.00 0.00 0.00 54.91 54.27 2q42 h ALA 250 Cb 0.95 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2q42 h ALA 250 CO 0.09 0.65 -0.66 -0.22 0.00 0.00 0.00 179.25 179.11 2q42 h LYS 251 N 0.02 0.82 -0.88 0.00 3.64 -0.57 -2.53 116.57 117.06 2q42 h LYS 251 Ca -0.00 -0.59 0.03 0.00 -1.27 0.00 0.00 60.65 58.82 2q42 h LYS 251 Cb 0.92 0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.79 2q42 h LYS 251 CO 0.07 1.21 0.57 -0.44 -2.27 0.00 0.00 179.45 178.59 2q42 h ASP 252 N 0.60 0.95 -0.44 4.20 3.32 -1.32 -2.25 116.42 121.49 2q42 h ASP 252 Ca -0.02 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.03 2q42 h ASP 252 Cb 1.27 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.61 2q42 h ASP 252 CO 0.14 0.66 0.00 -0.67 -1.72 0.00 0.00 179.24 177.64 2q42 n ASP 253 N -4.53 4.56 -0.17 6.45 2.03 -1.11 -5.13 116.55 118.65 2q42 n ASP 253 Ca 0.11 -2.69 0.15 0.00 0.52 0.00 0.00 54.79 52.88 2q42 n ASP 253 Cb 0.09 -0.64 0.80 0.00 -0.72 0.00 0.00 41.12 40.65 2q42 n ASP 253 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61