#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c46 s LYS 5 N 0.00 0.57 0.46 1.20 -0.14 -1.26 -5.08 119.74 115.49 2c46 s LYS 5 Ca 0.00 -0.64 -0.20 0.00 -1.36 0.00 0.00 55.97 53.77 2c46 s LYS 5 Cb 0.00 -0.43 -0.10 0.00 -1.68 0.00 0.00 37.83 35.62 2c46 s LYS 5 CO 0.00 0.09 0.97 0.96 -0.76 0.00 0.00 175.35 176.62 2c46 s ILE 6 N -1.02 4.32 0.44 2.17 -4.36 -1.26 -5.02 121.20 116.46 2c46 s ILE 6 Ca -0.05 1.35 -0.24 0.00 -0.26 0.00 0.00 60.65 61.45 2c46 s ILE 6 Cb -0.08 -3.60 -0.08 0.00 1.25 0.00 0.00 42.46 39.95 2c46 s ILE 6 CO 0.00 -0.40 1.15 -2.16 0.24 0.00 0.00 174.94 173.77 2c46 s PRO 7 N -3.42 3.90 0.52 0.37 0.04 -1.26 -5.00 135.00 130.15 2c46 s PRO 7 Ca 0.62 1.75 -0.22 0.00 0.04 0.00 0.00 61.00 63.19 2c46 s PRO 7 Cb -0.10 -2.49 -0.06 0.00 0.04 0.00 0.00 34.50 31.89 2c46 s PRO 7 CO 0.19 -0.43 1.27 -2.14 0.04 0.00 0.00 177.00 175.93 2c46 s PRO 8 N -2.57 3.34 -0.98 0.56 0.02 -1.26 -2.81 135.00 131.29 2c46 s PRO 8 Ca 0.61 2.01 0.00 0.00 0.02 0.00 0.00 61.00 63.64 2c46 s PRO 8 Cb -0.28 -2.26 0.00 0.00 0.02 0.00 0.00 34.50 31.98 2c46 s PRO 8 CO 0.34 -0.96 0.00 0.54 -0.33 0.00 0.00 177.00 176.59 2c46 n ARG 9 N -0.92 -1.26 0.01 5.54 5.12 -1.26 -4.89 116.66 119.00 2c46 n ARG 9 Ca 0.10 0.78 -0.22 0.00 -1.93 0.00 0.00 57.85 56.57 2c46 n ARG 9 Cb 0.47 -4.92 -0.14 0.00 -1.16 0.00 0.00 32.46 26.70 2c46 n ARG 9 CO 0.00 0.00 0.00 2.35 -1.93 0.00 0.00 177.63 178.05 2c46 h TRP 10 N 0.00 0.49 -0.85 -1.55 7.01 -1.89 -3.30 115.95 115.87 2c46 h TRP 10 Ca -0.19 -0.35 0.12 0.00 2.11 0.00 0.00 58.89 60.58 2c46 h TRP 10 Cb 0.91 -0.02 -0.08 0.00 -2.10 0.00 0.00 29.16 27.87 2c46 h TRP 10 CO 0.45 1.65 0.47 -0.07 -2.79 0.00 0.00 178.44 178.15 2c46 h LEU 11 N -0.15 0.62 -2.73 0.65 4.07 -1.90 -2.03 115.31 113.85 2c46 h LEU 11 Ca -0.36 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.67 2c46 h LEU 11 Cb 1.89 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.58 2c46 h LEU 11 CO 0.07 0.32 0.00 0.59 -1.08 0.00 0.00 178.44 178.34 2c46 n ASN 12 N -4.79 3.32 -4.71 -0.43 3.02 -1.26 -4.89 115.26 105.51 2c46 n ASN 12 Ca 0.16 -1.98 -0.42 0.00 -0.03 0.00 0.00 54.58 52.31 2c46 n ASN 12 Cb 0.36 -0.32 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 2c46 n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2c46 n PRO 14 N 4.00 2.18 -0.05 0.00 -0.04 -1.26 -4.94 135.00 134.89 2c46 n PRO 14 Ca 0.08 0.78 -0.12 0.00 -0.04 0.00 0.00 63.50 64.20 2c46 n PRO 14 Cb 0.47 -2.59 -0.06 0.00 -0.04 0.00 0.00 33.50 31.28 2c46 n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2c46 h ARG 15 N 2.23 0.28 -3.77 0.54 3.08 -1.95 -3.40 114.38 111.39 2c46 h ARG 15 Ca -0.50 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 59.35 2c46 h ARG 15 Cb 1.27 -0.02 -0.15 0.00 0.08 0.00 0.00 29.97 31.15 2c46 h ARG 15 CO 0.61 0.55 -0.41 -0.98 -1.07 0.00 0.00 179.97 178.66 2c46 s ARG 16 N -4.80 0.76 0.66 0.04 1.70 -1.26 -1.34 118.95 114.71 2c46 s ARG 16 Ca -0.14 -0.87 0.03 0.00 -0.47 0.00 0.00 55.73 54.28 2c46 s ARG 16 Cb 0.05 0.31 0.11 0.00 -0.57 0.00 0.00 34.95 34.85 2c46 s ARG 16 CO 0.72 -0.23 0.92 0.20 -1.08 0.00 0.00 175.30 175.83 2c46 s GLY 17 N -2.59 1.76 0.64 3.88 0.00 0.58 -4.98 107.32 106.61 2c46 s GLY 17 Ca 0.01 -1.86 -0.16 0.00 0.00 0.00 0.00 44.72 42.71 2c46 s GLY 17 CO -0.08 -1.34 1.14 1.20 0.00 0.00 0.00 173.10 174.01 2c46 s GLN 18 N -4.97 2.85 0.21 2.90 -1.52 0.13 -4.66 119.66 114.60 2c46 s GLN 18 Ca 0.64 1.53 -0.32 0.00 -1.95 0.00 0.00 55.36 55.26 2c46 s GLN 18 Cb -0.06 -1.94 -0.14 0.00 -0.22 0.00 0.00 33.01 30.65 2c46 s GLN 18 CO 0.42 -1.24 1.47 -2.30 -0.25 0.00 0.00 175.29 173.40 2c46 n PRO 19 N -2.14 2.07 -3.36 2.91 -0.02 -1.26 -4.51 135.00 128.69 2c46 n PRO 19 Ca 0.11 0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 61.92 2c46 n PRO 19 Cb 0.51 -2.44 -0.09 0.00 -0.02 0.00 0.00 33.50 31.46 2c46 n PRO 19 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2c46 s VAL 20 N 0.31 5.13 -1.22 -1.45 1.01 0.19 -4.22 120.40 120.15 2c46 s VAL 20 Ca 0.72 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.71 2c46 s VAL 20 Cb -0.66 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 31.88 2c46 s VAL 20 CO 0.45 -0.15 0.33 0.00 0.00 0.00 0.00 175.10 175.73 2c46 n ALA 21 N 5.47 -0.95 -2.37 5.51 0.00 -1.26 -0.91 120.51 126.00 2c46 n ALA 21 Ca -0.08 0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.31 2c46 n ALA 21 Cb 0.49 -2.44 -0.01 0.00 0.00 0.00 0.00 19.45 17.49 2c46 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c46 n GLY 22 N -1.08 -0.38 0.00 0.00 0.00 -1.26 -4.81 105.19 97.65 2c46 n GLY 22 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2c46 n GLY 22 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2c46 n ARG 23 N -2.86 0.18 -5.05 1.61 0.00 -0.08 -4.86 116.66 105.59 2c46 n ARG 23 Ca -0.19 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.38 2c46 n ARG 23 Cb 0.64 -0.70 -0.16 0.00 -0.00 0.00 0.00 32.46 32.24 2c46 n ARG 23 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2c46 s PHE 24 N -1.41 1.94 -0.30 2.89 0.08 -1.03 -1.03 117.98 119.12 2c46 s PHE 24 Ca 0.00 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.66 2c46 s PHE 24 Cb 0.00 -1.25 0.07 0.00 -0.57 0.00 0.00 43.02 41.27 2c46 s PHE 24 CO 0.00 -0.05 -0.01 -1.17 -0.10 0.00 0.00 175.22 173.88 2c46 s LEU 25 N -0.44 4.01 0.20 -0.37 2.96 -0.18 0.54 118.68 125.40 2c46 s LEU 25 Ca 0.07 -1.54 -0.28 0.00 -0.22 0.00 0.00 54.13 52.15 2c46 s LEU 25 Cb -0.09 -1.65 -0.08 0.00 0.50 0.00 0.00 46.19 44.87 2c46 s LEU 25 CO -0.00 -0.28 0.89 -2.16 -1.32 0.00 0.00 176.35 173.47 2c46 s PRO 26 N 1.13 4.74 0.16 0.98 0.04 -1.26 -1.75 135.00 139.04 2c46 s PRO 26 Ca -0.03 1.37 -0.11 0.00 0.04 0.00 0.00 61.00 62.27 2c46 s PRO 26 Cb -0.20 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.05 2c46 s PRO 26 CO -0.04 0.49 0.34 -0.48 0.04 0.00 0.00 177.00 177.35 2c46 s LEU 27 N -0.98 0.76 0.73 -3.56 2.34 -0.80 -0.30 118.68 116.85 2c46 s LEU 27 Ca 0.40 -0.71 -0.10 0.00 0.06 0.00 0.00 54.13 53.78 2c46 s LEU 27 Cb -0.25 1.45 0.04 0.00 -0.56 0.00 0.00 46.19 46.88 2c46 s LEU 27 CO 0.30 -0.91 1.09 -1.59 -1.06 0.00 0.00 176.35 174.17 2c46 s LYS 28 N -3.92 2.45 0.46 1.48 -2.85 -0.45 -3.55 119.74 113.35 2c46 s LYS 28 Ca 0.13 0.16 -0.25 0.00 -1.00 0.00 0.00 55.97 55.01 2c46 s LYS 28 Cb 0.02 -2.05 -0.08 0.00 -2.06 0.00 0.00 37.83 33.66 2c46 s LYS 28 CO -0.03 -1.22 1.40 -0.08 0.10 0.00 0.00 175.35 175.53 2c46 s THR 29 N -3.37 2.14 0.49 3.79 -1.32 -0.32 -4.90 115.64 112.15 2c46 s THR 29 Ca 0.59 0.12 -0.19 0.00 -1.21 0.00 0.00 61.69 61.01 2c46 s THR 29 Cb -0.11 -3.07 -0.08 0.00 -1.51 0.00 0.00 72.50 67.73 2c46 s THR 29 CO 0.49 0.02 1.00 -0.04 -2.21 0.00 0.00 174.62 173.87 2c46 s MET 30 N -2.48 3.89 -0.09 7.08 1.00 -1.26 -5.00 119.30 122.44 2c46 s MET 30 Ca 0.62 1.15 0.04 0.00 0.00 0.00 0.00 55.69 57.49 2c46 s MET 30 Cb -0.43 -2.12 0.00 0.00 0.00 0.00 0.00 34.83 32.29 2c46 s MET 30 CO 0.54 -0.33 -0.21 -0.51 0.00 0.00 0.00 175.02 174.51 2c46 s LEU 31 N -3.72 1.98 0.99 -0.03 1.43 -0.69 -4.25 118.68 114.38 2c46 s LEU 31 Ca 0.63 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 53.07 2c46 s LEU 31 Cb -0.12 -1.26 0.21 0.00 0.03 0.00 0.00 46.19 45.05 2c46 s LEU 31 CO 0.24 0.13 1.30 -0.83 0.23 0.00 0.00 176.35 177.41 2c46 s GLY 32 N 0.40 1.75 0.50 -3.19 0.00 -0.58 -3.74 107.32 102.47 2c46 s GLY 32 Ca -0.17 -1.16 0.18 0.00 0.00 0.00 0.00 44.72 43.56 2c46 s GLY 32 CO 0.07 -0.38 2.08 -2.55 0.00 0.00 0.00 173.10 172.32 2c46 h PRO 33 N -1.75 0.10 0.00 2.90 0.11 -1.98 -1.78 132.00 129.61 2c46 h PRO 33 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2c46 h PRO 33 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2c46 h PRO 33 CO 0.38 0.07 0.27 0.00 -0.21 0.00 0.00 178.00 178.51 2c46 h ARG 34 N 0.11 0.00 -0.02 1.05 3.08 -1.94 0.18 114.38 116.85 2c46 h ARG 34 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2c46 h ARG 34 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2c46 h ARG 34 CO -0.01 0.00 -0.38 0.66 -1.07 0.00 0.00 179.97 179.16 2c46 n TYR 35 N -2.76 0.00 -0.32 3.04 4.01 -0.67 -4.65 117.16 115.82 2c46 n TYR 35 Ca -0.02 0.00 0.23 0.00 -0.16 0.00 0.00 57.90 57.95 2c46 n TYR 35 Cb 0.32 -0.02 0.52 0.00 -0.31 0.00 0.00 39.34 39.85 2c46 n TYR 35 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2c46 h ASP 36 N 2.41 0.41 0.30 7.72 5.19 -0.74 0.43 116.42 132.14 2c46 h ASP 36 Ca 0.00 0.07 -0.05 0.00 -0.62 0.00 0.00 57.03 56.43 2c46 h ASP 36 Cb 0.73 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.24 2c46 h ASP 36 CO 0.00 0.09 -0.24 0.77 -3.12 0.00 0.00 179.24 176.73 2c46 h SER 37 N 0.37 0.00 0.00 6.45 4.64 -1.83 -2.79 113.55 120.39 2c46 h SER 37 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 2c46 h SER 37 Cb 1.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 2c46 h SER 37 CO -0.27 0.24 -0.03 0.00 -0.87 0.00 0.00 176.83 175.90 2c46 n GLN 38 N -4.10 1.74 -3.78 4.77 6.02 0.15 -4.88 117.38 117.29 2c46 n GLN 38 Ca -0.02 -1.15 -0.19 0.00 -0.01 0.00 0.00 57.00 55.63 2c46 n GLN 38 Cb 0.31 -1.48 -0.17 0.00 1.02 0.00 0.00 30.24 29.92 2c46 n GLN 38 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2c46 s VAL 39 N -2.05 0.09 0.68 5.09 1.01 -1.04 -5.01 120.40 119.17 2c46 s VAL 39 Ca 0.34 0.23 -0.16 0.00 0.00 0.00 0.00 61.98 62.40 2c46 s VAL 39 Cb 0.21 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 36.33 2c46 s VAL 39 CO 0.35 0.18 1.18 0.00 0.00 0.00 0.00 175.10 176.81 2c46 s ALA 40 N 1.66 2.30 0.25 5.51 0.00 -1.26 -4.75 121.76 125.46 2c46 s ALA 40 Ca -0.01 0.83 -0.03 0.00 0.00 0.00 0.00 51.96 52.75 2c46 s ALA 40 Cb -0.13 -3.43 0.49 0.00 0.00 0.00 0.00 23.12 20.06 2c46 s ALA 40 CO -0.03 -1.57 1.72 0.93 0.00 0.00 0.00 175.76 176.80 2c46 h GLU 41 N 0.05 0.39 0.00 0.00 5.08 -1.99 0.16 114.58 118.27 2c46 h GLU 41 Ca -0.48 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2c46 h GLU 41 Cb 1.28 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2c46 h GLU 41 CO 0.52 0.26 0.00 -0.85 -1.00 0.00 0.00 179.01 177.94 2c46 n GLU 42 N -5.04 0.20 -0.07 2.33 0.28 -1.26 -2.63 120.64 114.45 2c46 n GLU 42 Ca 0.15 0.15 0.02 0.00 -0.16 0.00 0.00 57.16 57.33 2c46 n GLU 42 Cb 0.45 -1.50 0.06 0.00 1.43 0.00 0.00 31.44 31.89 2c46 n GLU 42 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2c46 n ASN 43 N -1.31 2.25 -4.79 -1.84 4.13 0.51 -5.06 115.26 109.15 2c46 n ASN 43 Ca 0.07 -1.87 -0.35 0.00 1.68 0.00 0.00 54.58 54.11 2c46 n ASN 43 Cb 0.13 -0.09 -0.05 0.00 -1.54 0.00 0.00 39.78 38.24 2c46 n ASN 43 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2c46 s ARG 44 N -0.90 4.11 -0.44 3.52 3.00 -1.02 -4.86 118.95 122.37 2c46 s ARG 44 Ca 0.10 1.36 0.06 0.00 0.00 0.00 0.00 55.73 57.24 2c46 s ARG 44 Cb 0.05 -2.35 0.20 0.00 0.00 0.00 0.00 34.95 32.85 2c46 s ARG 44 CO 0.07 -0.16 0.52 0.34 0.00 0.00 0.00 175.30 176.07 2c46 n PHE 45 N -0.40 -1.65 -2.52 -0.53 7.35 -1.26 -5.09 117.46 113.37 2c46 n PHE 45 Ca 0.06 -2.81 -0.31 0.00 -0.76 0.00 0.00 57.45 53.63 2c46 n PHE 45 Cb 0.51 0.50 -0.02 0.00 0.35 0.00 0.00 39.48 40.82 2c46 n PHE 45 CO 0.00 0.00 0.00 -3.38 -0.76 0.00 0.00 176.76 172.62 2c46 s HIS 46 N -0.01 3.49 0.27 -5.13 0.00 -1.24 -1.71 115.29 110.96 2c46 s HIS 46 Ca 0.33 1.24 -0.00 0.00 -3.00 0.00 0.00 55.06 53.62 2c46 s HIS 46 Cb 0.08 -2.61 0.59 0.00 -4.00 0.00 0.00 32.58 26.64 2c46 s HIS 46 CO -0.15 -0.31 1.72 -1.35 -1.00 0.00 0.00 174.74 173.65 2c46 h PRO 47 N 0.83 0.45 -0.89 -0.38 0.11 -1.94 -0.70 132.00 129.48 2c46 h PRO 47 Ca -0.47 -0.03 0.24 0.00 0.11 0.00 0.00 66.00 65.85 2c46 h PRO 47 Cb 1.19 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 2c46 h PRO 47 CO 0.62 0.30 0.62 0.66 -0.21 0.00 0.00 178.00 179.99 2c46 h SER 48 N 0.47 0.16 -0.49 -2.05 4.64 -1.93 0.85 113.55 115.20 2c46 h SER 48 Ca 0.49 0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.70 2c46 h SER 48 Cb 0.82 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 2c46 h SER 48 CO -0.45 0.06 -0.19 0.24 -0.87 0.00 0.00 176.83 175.61 2c46 h MET 49 N 0.15 1.00 0.19 4.77 2.86 -1.49 -2.89 114.93 119.52 2c46 h MET 49 Ca 0.44 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2c46 h MET 49 Cb 1.49 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 33.11 2c46 h MET 49 CO -0.08 1.09 -0.09 1.25 1.06 0.00 0.00 176.91 180.14 2c46 h LEU 50 N 0.87 -0.22 -1.99 1.22 5.85 -0.80 -2.75 115.31 117.49 2c46 h LEU 50 Ca 0.12 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.84 2c46 h LEU 50 Cb 0.77 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 2c46 h LEU 50 CO 0.06 -0.13 0.06 0.77 -0.34 0.00 0.00 178.44 178.85 2c46 h SER 51 N -0.28 0.02 -0.02 1.25 4.64 -1.54 -1.79 113.55 115.83 2c46 h SER 51 Ca -0.03 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2c46 h SER 51 Cb 0.22 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2c46 h SER 51 CO 0.04 0.01 0.01 0.78 -0.87 0.00 0.00 176.83 176.80 2c46 h ASN 52 N 0.02 0.03 -0.80 4.97 2.35 -1.28 -0.94 115.58 119.93 2c46 h ASN 52 Ca 0.04 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 2c46 h ASN 52 Cb 0.12 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 2c46 h ASN 52 CO -0.00 0.20 0.46 0.22 -1.65 0.00 0.00 177.43 176.67 2c46 h TYR 53 N -0.15 1.06 -0.25 1.19 3.20 -1.13 0.34 116.97 121.24 2c46 h TYR 53 Ca 0.01 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2c46 h TYR 53 Cb 0.19 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2c46 h TYR 53 CO -0.01 0.72 0.14 -0.07 -1.64 0.00 0.00 178.16 177.30 2c46 h LEU 54 N 1.09 0.31 -1.55 2.82 3.38 -1.32 -2.62 115.31 117.43 2c46 h LEU 54 Ca 0.28 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.20 2c46 h LEU 54 Cb -0.01 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2c46 h LEU 54 CO -0.05 0.31 0.34 0.11 0.09 0.00 0.00 178.44 179.23 2c46 h LYS 55 N 0.29 0.57 -0.10 1.13 1.57 -0.74 -3.22 116.57 116.08 2c46 h LYS 55 Ca 0.09 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2c46 h LYS 55 Cb 0.07 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2c46 h LYS 55 CO -0.01 0.38 0.00 -1.13 -0.57 0.00 0.00 179.45 178.12 2c46 n SER 56 N -4.47 0.10 -0.12 0.86 3.41 0.07 -5.09 113.62 108.37 2c46 n SER 56 Ca 0.06 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 2c46 n SER 56 Cb 0.13 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2c46 n SER 56 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2c46 n VAL 59 N -0.32 -1.18 -4.18 -3.33 0.31 -1.22 -4.96 118.33 103.45 2c46 n VAL 59 Ca 0.00 0.18 -0.34 0.00 -0.01 0.00 0.00 64.34 64.17 2c46 n VAL 59 Cb 0.02 -0.25 -0.10 0.00 -0.91 0.00 0.00 33.84 32.60 2c46 n VAL 59 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2c46 s LYS 60 N -5.57 3.72 -0.41 5.55 2.47 -1.26 -4.77 119.74 119.46 2c46 s LYS 60 Ca 0.00 -0.40 -0.20 0.00 -1.56 0.00 0.00 55.97 53.81 2c46 s LYS 60 Cb 0.00 -3.06 0.02 0.00 -1.46 0.00 0.00 37.83 33.33 2c46 s LYS 60 CO 0.00 0.35 0.63 1.41 0.16 0.00 0.00 175.35 177.90 2c46 s MET 61 N 0.13 3.40 0.18 4.03 0.00 -1.26 -0.16 119.30 125.61 2c46 s MET 61 Ca 0.03 -0.26 0.09 0.00 0.00 0.00 0.00 55.69 55.54 2c46 s MET 61 Cb -0.13 -3.91 0.02 0.00 0.00 0.00 0.00 34.83 30.81 2c46 s MET 61 CO 0.01 -0.92 1.41 0.78 0.00 0.00 0.00 175.02 176.31 2c46 h GLY 62 N 9.58 0.00 -5.46 2.11 0.00 -1.18 -3.42 103.07 104.71 2c46 h GLY 62 Ca -0.26 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.87 2c46 h GLY 62 CO 0.87 0.00 -0.59 -2.27 0.00 0.00 0.00 176.54 174.55 2c46 s LEU 63 N -7.05 1.57 -0.15 3.11 2.96 -1.21 -2.35 118.68 115.56 2c46 s LEU 63 Ca 0.00 0.22 0.00 0.00 -0.22 0.00 0.00 54.13 54.14 2c46 s LEU 63 Cb 0.11 0.39 -0.01 0.00 0.50 0.00 0.00 46.19 47.18 2c46 s LEU 63 CO 0.80 -0.04 -0.15 -0.22 -1.32 0.00 0.00 176.35 175.42 2c46 s LEU 64 N 0.05 2.54 -0.25 -0.68 2.96 0.15 0.69 118.68 124.14 2c46 s LEU 64 Ca -0.00 -0.43 -0.07 0.00 -0.22 0.00 0.00 54.13 53.41 2c46 s LEU 64 Cb -0.01 -1.58 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 2c46 s LEU 64 CO 0.00 0.10 0.05 -0.69 -1.32 0.00 0.00 176.35 174.49 2c46 s VAL 65 N 0.72 4.08 -0.37 1.68 1.01 0.74 -1.54 120.40 126.72 2c46 s VAL 65 Ca -0.07 -0.29 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 2c46 s VAL 65 Cb -0.15 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2c46 s VAL 65 CO 0.01 0.33 0.26 -0.62 0.00 0.00 0.00 175.10 175.09 2c46 s ASP 66 N 1.58 6.05 0.00 3.32 -1.08 0.26 -1.47 116.67 125.33 2c46 s ASP 66 Ca 0.06 -0.66 0.25 0.00 -0.52 0.00 0.00 52.55 51.68 2c46 s ASP 66 Cb -0.15 -2.14 0.56 0.00 -1.46 0.00 0.00 42.92 39.73 2c46 s ASP 66 CO 0.02 -0.33 1.47 0.18 0.52 0.00 0.00 175.17 177.02 2c46 n LEU 67 N 5.12 2.42 -4.84 -1.34 4.77 0.14 -1.19 117.00 122.08 2c46 n LEU 67 Ca -0.12 -0.85 -0.30 0.00 -0.03 0.00 0.00 56.01 54.72 2c46 n LEU 67 Cb 0.48 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.61 2c46 n LEU 67 CO 0.39 0.42 0.73 0.42 -1.33 0.00 0.00 177.39 178.02 2c46 s THR 68 N -1.94 3.28 -1.38 -5.08 -4.23 -1.26 -4.54 115.64 100.49 2c46 s THR 68 Ca 0.33 0.42 0.19 0.00 -1.18 0.00 0.00 61.69 61.44 2c46 s THR 68 Cb 0.20 -3.28 0.68 0.00 1.34 0.00 0.00 72.50 71.45 2c46 s THR 68 CO 0.31 -0.54 1.58 0.59 -0.54 0.00 0.00 174.62 176.02 2c46 n ASN 69 N -3.23 4.39 -4.15 3.99 3.02 -1.26 -4.74 115.26 113.28 2c46 n ASN 69 Ca 0.07 -2.32 -0.10 0.00 -0.03 0.00 0.00 54.58 52.21 2c46 n ASN 69 Cb 0.57 -0.55 -0.10 0.00 -0.61 0.00 0.00 39.78 39.09 2c46 n ASN 69 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2c46 s THR 70 N -1.64 0.50 -0.23 3.41 -1.32 -1.26 -5.04 115.64 110.06 2c46 s THR 70 Ca 0.49 -1.90 0.10 0.00 -1.21 0.00 0.00 61.69 59.17 2c46 s THR 70 Cb 0.30 -1.69 0.43 0.00 -1.51 0.00 0.00 72.50 70.03 2c46 s THR 70 CO 0.26 -0.85 1.21 -1.54 -2.21 0.00 0.00 174.62 171.48 2c46 n SER 71 N -0.01 2.69 -0.38 8.08 3.41 -1.26 -4.72 113.62 121.43 2c46 n SER 71 Ca -0.12 -3.77 0.08 0.00 -0.26 0.00 0.00 58.87 54.80 2c46 n SER 71 Cb 0.61 -0.46 -0.00 0.00 -0.26 0.00 0.00 64.21 64.10 2c46 n SER 71 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2c46 n ARG 72 N -0.94 1.63 0.02 4.33 1.85 -1.26 -4.57 116.66 117.73 2c46 n ARG 72 Ca 0.26 -0.83 -0.20 0.00 -1.00 0.00 0.00 57.85 56.08 2c46 n ARG 72 Cb 0.79 -1.29 -0.14 0.00 -1.05 0.00 0.00 32.46 30.77 2c46 n ARG 72 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 2c46 h PHE 73 N 1.86 0.44 -3.08 2.89 0.04 -1.87 -3.45 116.94 113.77 2c46 h PHE 73 Ca 0.00 -0.32 -0.05 0.00 2.80 0.00 0.00 57.97 60.40 2c46 h PHE 73 Cb 0.57 -0.02 -0.14 0.00 2.20 0.00 0.00 35.95 38.56 2c46 h PHE 73 CO 0.00 1.35 0.01 1.52 -0.60 0.00 0.00 178.31 180.59 2c46 s TYR 74 N -2.42 -0.34 -0.26 -0.55 1.13 -1.26 -1.53 117.35 112.12 2c46 s TYR 74 Ca -0.16 0.20 -0.29 0.00 -1.41 0.00 0.00 57.07 55.40 2c46 s TYR 74 Cb 0.02 0.33 0.01 0.00 -1.10 0.00 0.00 41.96 41.22 2c46 s TYR 74 CO 0.79 -0.69 1.12 0.34 -2.51 0.00 0.00 175.55 174.60 2c46 s ASP 75 N -2.43 6.96 0.54 -0.18 -1.08 -1.26 -4.91 116.67 114.31 2c46 s ASP 75 Ca -0.01 1.29 0.21 0.00 -0.52 0.00 0.00 52.55 53.53 2c46 s ASP 75 Cb 0.00 -2.54 1.41 0.00 -1.46 0.00 0.00 42.92 40.33 2c46 s ASP 75 CO -0.08 -0.81 2.12 0.08 0.52 0.00 0.00 175.17 177.00 2c46 h ARG 76 N 8.03 0.00 -0.28 4.34 0.11 -2.00 -2.31 114.38 122.27 2c46 h ARG 76 Ca -0.22 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.86 2c46 h ARG 76 Cb 1.07 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.14 2c46 h ARG 76 CO 1.00 0.00 0.16 -0.91 0.10 0.00 0.00 179.97 180.32 2c46 h ASN 77 N 0.00 0.33 1.04 0.08 2.35 -1.98 -1.52 115.58 115.87 2c46 h ASN 77 Ca 0.07 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2c46 h ASN 77 Cb 0.29 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2c46 h ASN 77 CO -0.00 0.26 0.00 0.47 -1.65 0.00 0.00 177.43 176.51 2c46 n ASP 78 N -4.47 0.73 0.03 5.81 8.00 -0.87 0.07 116.55 125.85 2c46 n ASP 78 Ca 0.01 0.63 -0.21 0.00 0.71 0.00 0.00 54.79 55.93 2c46 n ASP 78 Cb 0.09 -0.80 -0.14 0.00 -0.02 0.00 0.00 41.12 40.25 2c46 n ASP 78 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2c46 h ILE 79 N 0.00 1.26 0.00 0.53 1.08 -1.44 -3.39 117.51 115.55 2c46 h ILE 79 Ca 0.00 -2.46 -0.08 0.00 -0.39 0.00 0.00 64.86 61.92 2c46 h ILE 79 Cb 0.52 2.93 -0.01 0.00 -3.07 0.00 0.00 36.82 37.19 2c46 h ILE 79 CO 0.00 0.70 -0.40 -0.33 -0.69 0.00 0.00 178.15 177.43 2c46 h GLU 80 N -0.35 0.00 0.00 2.37 5.08 -0.79 -2.44 114.58 118.44 2c46 h GLU 80 Ca -0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2c46 h GLU 80 Cb 1.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.95 2c46 h GLU 80 CO 0.10 0.40 0.00 0.36 -1.00 0.00 0.00 179.01 178.87 2c46 n LYS 81 N -3.84 0.61 -0.26 2.33 2.85 0.11 -0.78 118.16 119.19 2c46 n LYS 81 Ca -0.01 0.02 0.12 0.00 -1.05 0.00 0.00 58.31 57.38 2c46 n LYS 81 Cb 0.46 -1.50 0.26 0.00 -0.65 0.00 0.00 35.03 33.60 2c46 n LYS 81 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2c46 n GLU 82 N -1.05 2.56 -1.32 -1.58 -0.58 -0.93 -4.94 120.64 112.79 2c46 n GLU 82 Ca 0.15 -2.38 -0.03 0.00 -0.42 0.00 0.00 57.16 54.48 2c46 n GLU 82 Cb 0.09 -1.53 -0.01 0.00 -0.57 0.00 0.00 31.44 29.42 2c46 n GLU 82 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2c46 n GLY 83 N 1.56 0.52 3.60 0.62 0.00 0.04 -5.03 105.19 106.50 2c46 n GLY 83 Ca 0.21 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 2c46 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c46 s ILE 84 N -2.12 5.31 0.09 -0.61 1.01 -1.18 -4.88 121.20 118.82 2c46 s ILE 84 Ca 0.00 0.19 -0.31 0.00 0.00 0.00 0.00 60.65 60.53 2c46 s ILE 84 Cb 0.00 -3.53 -0.09 0.00 0.01 0.00 0.00 42.46 38.85 2c46 s ILE 84 CO 0.00 0.25 1.65 -1.59 0.00 0.00 0.00 174.94 175.26 2c46 s LYS 85 N 1.72 4.19 -0.22 2.79 0.00 -0.99 -3.57 119.74 123.66 2c46 s LYS 85 Ca 0.07 2.36 -0.06 0.00 0.00 0.00 0.00 55.97 58.34 2c46 s LYS 85 Cb -0.16 -3.53 -0.03 0.00 0.00 0.00 0.00 37.83 34.12 2c46 s LYS 85 CO 0.10 -0.72 0.02 -0.47 0.00 0.00 0.00 175.35 174.28 2c46 s TYR 86 N 2.42 3.06 -0.04 1.78 6.14 -1.26 -0.68 117.35 128.76 2c46 s TYR 86 Ca 0.74 -0.46 0.03 0.00 0.64 0.00 0.00 57.07 58.03 2c46 s TYR 86 Cb -0.41 -2.13 0.00 0.00 0.42 0.00 0.00 41.96 39.84 2c46 s TYR 86 CO 0.32 -0.28 -0.14 0.42 0.64 0.00 0.00 175.55 176.52 2c46 s ILE 87 N 1.19 1.17 0.15 3.14 -1.09 -0.59 -5.00 121.20 120.18 2c46 s ILE 87 Ca 0.03 -0.56 -0.17 0.00 -2.23 0.00 0.00 60.65 57.73 2c46 s ILE 87 Cb -0.14 -1.03 -0.07 0.00 -1.58 0.00 0.00 42.46 39.63 2c46 s ILE 87 CO 0.02 0.35 0.60 -0.75 -1.23 0.00 0.00 174.94 173.93 2c46 s LYS 88 N 0.23 4.09 -0.33 2.79 2.20 -1.26 -0.58 119.74 126.89 2c46 s LYS 88 Ca -0.06 0.63 -0.01 0.00 -0.36 0.00 0.00 55.97 56.17 2c46 s LYS 88 Cb -0.12 -2.97 0.13 0.00 -1.51 0.00 0.00 37.83 33.36 2c46 s LYS 88 CO 0.02 0.49 0.22 -1.17 -0.36 0.00 0.00 175.35 174.54 2c46 s LEU 89 N -1.81 0.56 -0.20 5.43 0.20 -0.33 -4.88 118.68 117.65 2c46 s LEU 89 Ca 0.37 -1.67 -0.21 0.00 0.69 0.00 0.00 54.13 53.32 2c46 s LEU 89 Cb -0.16 -0.15 -0.02 0.00 -0.43 0.00 0.00 46.19 45.43 2c46 s LEU 89 CO 0.20 -0.35 0.65 -1.10 -0.29 0.00 0.00 176.35 175.45 2c46 s GLN 90 N 1.59 4.21 0.37 1.98 -0.21 -1.26 -4.31 119.66 122.02 2c46 s GLN 90 Ca 0.14 0.65 0.03 0.00 0.02 0.00 0.00 55.36 56.20 2c46 s GLN 90 Cb -0.19 -3.58 -0.01 0.00 1.00 0.00 0.00 33.01 30.23 2c46 s GLN 90 CO -0.15 -0.26 0.54 0.00 -2.12 0.00 0.00 175.29 173.30 2c46 n LYS 92 N -1.79 1.67 0.00 0.00 3.00 -1.26 -4.98 118.16 114.80 2c46 n LYS 92 Ca -0.01 0.59 0.00 0.00 -0.00 0.00 0.00 58.31 58.89 2c46 n LYS 92 Cb 0.57 -2.17 0.00 0.00 0.00 0.00 0.00 35.03 33.44 2c46 n LYS 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2c46 n GLY 93 N 1.96 1.41 2.46 3.14 0.00 -1.26 -4.40 105.19 108.50 2c46 n GLY 93 Ca 0.12 -1.83 -0.18 0.00 0.00 0.00 0.00 46.02 44.13 2c46 n GLY 93 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2c46 n HIS 94 N 0.00 -1.21 -0.96 1.61 -0.00 -1.26 -2.34 115.22 111.07 2c46 n HIS 94 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 2c46 n HIS 94 Cb 0.00 -3.54 0.00 0.00 -0.00 0.00 0.00 29.99 26.45 2c46 n HIS 94 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2c46 n GLY 95 N -0.96 0.69 3.79 1.57 0.00 -1.26 -5.00 105.19 104.01 2c46 n GLY 95 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 2c46 n GLY 95 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c46 s GLU 96 N -0.20 3.46 0.50 1.61 2.02 -0.99 -5.01 118.70 120.10 2c46 s GLU 96 Ca 0.00 1.38 -0.23 0.00 0.02 0.00 0.00 54.97 56.14 2c46 s GLU 96 Cb 0.00 -2.04 -0.06 0.00 0.10 0.00 0.00 34.13 32.13 2c46 s GLU 96 CO 0.00 -0.72 1.32 0.00 0.02 0.00 0.00 175.26 175.88 2c46 n PRO 98 N -0.72 1.22 -1.71 0.00 -0.02 -1.26 -4.78 135.00 127.72 2c46 n PRO 98 Ca 0.09 0.43 -0.29 0.00 -2.02 0.00 0.00 63.50 61.70 2c46 n PRO 98 Cb 0.45 -1.81 0.14 0.00 -0.02 0.00 0.00 33.50 32.26 2c46 n PRO 98 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2c46 s THR 99 N -0.78 1.97 0.39 3.45 -4.23 -1.26 -4.82 115.64 110.35 2c46 s THR 99 Ca 0.63 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 61.21 2c46 s THR 99 Cb -0.76 -2.87 0.28 0.00 1.34 0.00 0.00 72.50 70.49 2c46 s THR 99 CO 0.57 0.00 2.02 0.71 -0.54 0.00 0.00 174.62 177.38 2c46 h THR 100 N -1.47 1.08 -0.09 3.99 1.35 -2.00 -1.53 112.91 114.24 2c46 h THR 100 Ca -0.47 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.15 2c46 h THR 100 Cb 1.31 0.36 -0.00 0.00 -1.73 0.00 0.00 68.15 68.09 2c46 h THR 100 CO 0.56 0.12 0.02 -0.33 -0.25 0.00 0.00 175.52 175.64 2c46 h GLU 101 N 0.66 0.15 -0.59 4.72 3.07 -1.99 -2.04 114.58 118.55 2c46 h GLU 101 Ca 0.22 -0.04 0.07 0.00 -0.50 0.00 0.00 59.36 59.11 2c46 h GLU 101 Cb 0.07 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 27.90 2c46 h GLU 101 CO -0.06 0.33 0.28 -0.91 -1.40 0.00 0.00 179.01 177.25 2c46 h ASN 102 N -0.05 0.37 -0.33 1.42 -0.26 -1.80 -0.56 115.58 114.36 2c46 h ASN 102 Ca 0.03 0.05 -0.09 0.00 -0.56 0.00 0.00 56.30 55.73 2c46 h ASN 102 Cb 0.24 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.48 2c46 h ASN 102 CO 0.00 0.24 -0.14 0.71 -1.06 0.00 0.00 177.43 177.18 2c46 h THR 103 N 0.52 1.29 -0.77 2.81 1.35 -1.30 -1.54 112.91 115.25 2c46 h THR 103 Ca 0.28 -1.23 0.09 0.00 -0.55 0.00 0.00 66.41 64.99 2c46 h THR 103 Cb 0.24 1.39 -0.07 0.00 -1.73 0.00 0.00 68.15 67.99 2c46 h THR 103 CO -0.22 0.40 0.43 -0.08 -0.25 0.00 0.00 175.52 175.80 2c46 h GLU 104 N 0.45 0.72 -0.34 4.72 4.57 -1.12 0.17 114.58 123.75 2c46 h GLU 104 Ca 0.08 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2c46 h GLU 104 Cb 0.66 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 2c46 h GLU 104 CO 0.04 0.47 0.19 1.15 -1.18 0.00 0.00 179.01 179.69 2c46 h THR 105 N 0.74 1.13 -0.09 0.32 2.02 -0.92 -1.06 112.91 115.05 2c46 h THR 105 Ca 0.37 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 2c46 h THR 105 Cb 0.32 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2c46 h THR 105 CO -0.24 0.13 0.04 0.15 0.37 0.00 0.00 175.52 175.97 2c46 h PHE 106 N 0.43 0.13 -0.19 3.16 3.57 -0.75 -0.98 116.94 122.32 2c46 h PHE 106 Ca 0.12 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 2c46 h PHE 106 Cb 0.04 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2c46 h PHE 106 CO -0.03 0.23 0.09 0.82 -2.23 0.00 0.00 178.31 177.18 2c46 h ILE 107 N -0.00 1.14 -0.73 1.41 2.04 -0.58 -1.40 117.51 119.39 2c46 h ILE 107 Ca 0.03 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2c46 h ILE 107 Cb 0.15 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 2c46 h ILE 107 CO -0.00 0.13 0.39 0.03 0.00 0.00 0.00 178.15 178.70 2c46 h ARG 108 N 0.17 1.02 0.05 2.37 -0.00 -1.19 -1.17 114.38 115.64 2c46 h ARG 108 Ca 0.06 -0.12 0.01 0.00 -0.50 0.00 0.00 59.98 59.44 2c46 h ARG 108 Cb 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 29.97 29.89 2c46 h ARG 108 CO -0.01 0.76 -0.10 1.25 0.00 0.00 0.00 179.97 181.87 2c46 h LEU 109 N 1.02 -0.28 -0.92 3.04 5.85 -0.76 -3.00 115.31 120.27 2c46 h LEU 109 Ca 0.26 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.90 2c46 h LEU 109 Cb 0.04 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2c46 h LEU 109 CO -0.04 -0.15 -0.44 0.00 -0.34 0.00 0.00 178.44 177.46 2c46 h GLU 111 N 0.17 0.00 0.00 0.00 4.81 -1.06 0.17 114.58 118.68 2c46 h GLU 111 Ca 0.01 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2c46 h GLU 111 Cb 0.86 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2c46 h GLU 111 CO 0.07 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.89 2c46 n ARG 112 N -4.21 0.49 -2.50 1.92 3.00 -1.18 -5.11 116.66 109.08 2c46 n ARG 112 Ca 0.23 0.00 -0.06 0.00 -0.01 0.00 0.00 57.85 58.01 2c46 n ARG 112 Cb 1.15 -1.38 -0.01 0.00 0.00 0.00 0.00 32.46 32.22 2c46 n ARG 112 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2c46 n PHE 113 N -0.88 0.22 -0.80 -1.55 3.01 0.60 -5.19 117.46 112.88 2c46 n PHE 113 Ca 0.09 -0.47 0.00 0.00 1.01 0.00 0.00 57.45 58.08 2c46 n PHE 113 Cb 0.04 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 2c46 n PHE 113 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2c46 n GLU 120 N -0.24 -2.25 -2.04 -1.08 1.02 -1.26 -5.10 120.64 109.69 2c46 n GLU 120 Ca -0.04 1.63 -0.32 0.00 -0.02 0.00 0.00 57.16 58.42 2c46 n GLU 120 Cb 0.12 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 2c46 n GLU 120 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2c46 s LEU 121 N -1.69 3.41 -0.21 -4.62 1.43 0.77 -4.71 118.68 113.05 2c46 s LEU 121 Ca 0.00 1.59 -0.00 0.00 -1.03 0.00 0.00 54.13 54.68 2c46 s LEU 121 Cb 0.00 -4.50 0.02 0.00 0.03 0.00 0.00 46.19 41.74 2c46 s LEU 121 CO 0.00 -0.93 -0.12 -0.63 0.23 0.00 0.00 176.35 174.90 2c46 s ILE 122 N -2.81 2.55 0.25 -0.59 1.01 -0.19 -0.67 121.20 120.74 2c46 s ILE 122 Ca 0.59 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 60.01 2c46 s ILE 122 Cb -0.12 -2.19 -0.09 0.00 0.01 0.00 0.00 42.46 40.07 2c46 s ILE 122 CO 0.43 0.37 0.92 -0.83 0.00 0.00 0.00 174.94 175.83 2c46 s GLY 123 N 1.32 3.04 -0.04 6.18 0.00 0.22 -1.01 107.32 117.03 2c46 s GLY 123 Ca 0.03 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.32 2c46 s GLY 123 CO -0.08 1.11 -0.01 0.14 0.00 0.00 0.00 173.10 174.25 2c46 s VAL 124 N -1.26 0.31 -0.01 1.40 1.01 -0.72 -0.18 120.40 120.95 2c46 s VAL 124 Ca 0.42 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 2c46 s VAL 124 Cb -0.24 -0.39 -0.00 0.00 0.00 0.00 0.00 36.38 35.74 2c46 s VAL 124 CO 0.30 0.18 0.03 -1.38 0.00 0.00 0.00 175.10 174.23 2c46 s HIS 125 N 1.10 0.03 0.00 5.22 -3.43 -0.54 -1.91 115.29 115.76 2c46 s HIS 125 Ca -0.08 -0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.12 2c46 s HIS 125 Cb -0.14 -0.04 0.00 0.00 -1.43 0.00 0.00 32.58 30.98 2c46 s HIS 125 CO -0.01 -0.08 0.00 0.00 -2.00 0.00 0.00 174.74 172.64 2c46 h THR 127 N 0.00 1.38 0.00 0.00 2.02 -1.91 -2.85 112.91 111.55 2c46 h THR 127 Ca 0.00 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 65.97 2c46 h THR 127 Cb 0.00 2.19 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 2c46 h THR 127 CO 0.00 0.31 -1.25 1.41 0.37 0.00 0.00 175.52 176.36 2c46 n HIS 128 N -4.85 0.00 -1.31 3.16 8.25 -1.26 -1.18 115.22 118.03 2c46 n HIS 128 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2c46 n HIS 128 Cb 0.27 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.18 2c46 n HIS 128 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2c46 n GLY 129 N 1.66 0.95 1.16 -1.41 0.00 -1.23 -3.78 105.19 102.54 2c46 n GLY 129 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2c46 n GLY 129 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2c46 n PHE 130 N -2.82 -0.28 -0.02 1.61 3.72 -1.26 -4.57 117.46 113.84 2c46 n PHE 130 Ca 0.00 0.05 -0.00 0.00 -0.05 0.00 0.00 57.45 57.45 2c46 n PHE 130 Cb 0.32 0.07 -0.00 0.00 -0.94 0.00 0.00 39.48 38.93 2c46 n PHE 130 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2c46 h ASN 131 N 0.00 0.00 -0.54 4.37 2.35 -1.95 -0.36 115.58 119.45 2c46 h ASN 131 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 2c46 h ASN 131 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 2c46 h ASN 131 CO 0.00 0.17 0.20 0.03 -1.65 0.00 0.00 177.43 176.17 2c46 h ARG 132 N -0.32 0.87 0.03 0.81 3.08 -1.99 -1.22 114.38 115.64 2c46 h ARG 132 Ca 0.00 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 2c46 h ARG 132 Cb 0.02 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.93 2c46 h ARG 132 CO 0.00 0.74 -0.01 1.15 -1.07 0.00 0.00 179.97 180.78 2c46 h THR 133 N 0.85 1.05 -0.49 2.04 2.02 -1.88 -2.60 112.91 113.90 2c46 h THR 133 Ca 0.20 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 2c46 h THR 133 Cb 0.22 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2c46 h THR 133 CO -0.01 0.06 0.23 1.23 0.37 0.00 0.00 175.52 177.40 2c46 h GLY 134 N -0.14 0.75 0.45 2.16 0.00 -0.92 -2.40 103.07 102.98 2c46 h GLY 134 Ca -0.00 -0.38 0.04 0.00 0.00 0.00 0.00 47.33 46.99 2c46 h GLY 134 CO 0.01 0.36 -0.19 -2.75 0.00 0.00 0.00 176.54 173.96 2c46 h PHE 135 N 0.64 -0.49 -0.49 5.60 3.04 -1.17 0.11 116.94 124.19 2c46 h PHE 135 Ca 0.17 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 62.01 2c46 h PHE 135 Cb 0.12 0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 2c46 h PHE 135 CO -0.01 -0.27 -0.21 -0.07 -2.02 0.00 0.00 178.31 175.74 2c46 h LEU 136 N -0.26 1.03 -0.34 0.59 3.38 -1.43 -0.97 115.31 117.30 2c46 h LEU 136 Ca 0.08 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2c46 h LEU 136 Cb 0.38 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2c46 h LEU 136 CO -0.23 1.19 0.17 0.40 0.09 0.00 0.00 178.44 180.07 2c46 h ILE 137 N 0.87 1.15 -0.75 1.22 2.04 -1.14 -1.83 117.51 119.08 2c46 h ILE 137 Ca 0.11 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 2c46 h ILE 137 Cb 0.79 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 2c46 h ILE 137 CO 0.07 0.16 0.31 0.00 0.00 0.00 0.00 178.15 178.68 2c46 h ALA 139 N 1.25 0.78 0.12 0.00 0.00 -1.04 -1.73 119.26 118.63 2c46 h ALA 139 Ca 0.25 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2c46 h ALA 139 Cb 0.19 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2c46 h ALA 139 CO -0.02 0.27 -0.07 0.35 0.00 0.00 0.00 179.25 179.77 2c46 h PHE 140 N 0.82 -0.19 -0.82 0.00 3.04 -0.88 0.87 116.94 119.77 2c46 h PHE 140 Ca 0.22 -0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.23 2c46 h PHE 140 Cb 0.01 0.07 -0.06 0.00 2.56 0.00 0.00 35.95 38.52 2c46 h PHE 140 CO -0.02 -0.12 0.49 -0.07 -2.02 0.00 0.00 178.31 176.58 2c46 h LEU 141 N -0.19 0.75 0.31 0.59 3.38 -1.07 0.49 115.31 119.57 2c46 h LEU 141 Ca -0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2c46 h LEU 141 Cb 0.16 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2c46 h LEU 141 CO 0.01 0.47 -0.15 0.58 0.09 0.00 0.00 178.44 179.44 2c46 h VAL 142 N 0.88 0.55 -0.19 1.22 2.07 -1.21 -1.32 116.25 118.26 2c46 h VAL 142 Ca 0.37 -0.76 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 2c46 h VAL 142 Cb 0.23 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2c46 h VAL 142 CO -0.20 0.12 -0.21 -0.33 0.02 0.00 0.00 177.57 176.97 2c46 h GLU 143 N -0.91 0.48 0.00 1.57 5.08 -0.61 -1.53 114.58 118.65 2c46 h GLU 143 Ca -0.04 -0.26 -0.27 0.00 -1.00 0.00 0.00 59.36 57.79 2c46 h GLU 143 Cb 0.52 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 2c46 h GLU 143 CO 0.07 0.84 -1.74 1.17 -1.00 0.00 0.00 179.01 178.35 2c46 n LYS 144 N -4.44 0.64 -0.02 2.33 3.00 0.17 -4.47 118.16 115.36 2c46 n LYS 144 Ca -0.06 0.23 0.02 0.00 -0.00 0.00 0.00 58.31 58.51 2c46 n LYS 144 Cb 0.41 -1.76 0.03 0.00 0.00 0.00 0.00 35.03 33.72 2c46 n LYS 144 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2c46 n MET 145 N -2.96 0.67 -1.91 1.64 2.81 -1.00 -5.01 117.12 111.36 2c46 n MET 145 Ca -0.17 -1.06 -0.17 0.00 -1.81 0.00 0.00 57.70 54.48 2c46 n MET 145 Cb 1.01 -1.09 -0.04 0.00 -0.71 0.00 0.00 33.22 32.39 2c46 n MET 145 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2c46 n ASP 146 N 0.14 -5.03 -4.75 7.83 2.03 -0.57 -4.93 116.55 111.26 2c46 n ASP 146 Ca 0.03 0.20 -0.34 0.00 0.52 0.00 0.00 54.79 55.20 2c46 n ASP 146 Cb 0.18 -4.08 0.06 0.00 -0.72 0.00 0.00 41.12 36.56 2c46 n ASP 146 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 2c46 s TRP 147 N -2.74 2.35 0.48 -0.67 0.52 -0.55 -4.96 118.94 113.37 2c46 s TRP 147 Ca 0.00 1.56 -0.21 0.00 0.02 0.00 0.00 56.10 57.47 2c46 s TRP 147 Cb 0.00 -3.36 -0.07 0.00 -1.15 0.00 0.00 33.47 28.88 2c46 s TRP 147 CO 0.00 -2.15 1.11 -1.54 0.02 0.00 0.00 176.95 174.38 2c46 s SER 148 N -2.10 6.15 0.40 2.95 1.04 -1.26 -4.34 113.70 116.54 2c46 s SER 148 Ca 0.72 2.14 0.14 0.00 0.48 0.00 0.00 55.95 59.43 2c46 s SER 148 Cb -0.26 -2.58 0.82 0.00 0.10 0.00 0.00 66.02 64.09 2c46 s SER 148 CO 0.40 -0.92 1.88 -0.29 0.98 0.00 0.00 173.24 175.29 2c46 h ILE 149 N 1.63 1.21 -0.67 -1.02 6.09 -1.95 -1.69 117.51 121.11 2c46 h ILE 149 Ca -0.49 -1.07 -0.00 0.00 -1.37 0.00 0.00 64.86 61.92 2c46 h ILE 149 Cb 1.24 1.58 -0.03 0.00 0.47 0.00 0.00 36.82 40.08 2c46 h ILE 149 CO 0.59 0.31 0.42 -0.33 -3.07 0.00 0.00 178.15 176.06 2c46 h GLU 150 N 0.00 0.91 -0.32 2.19 3.07 -1.94 -1.09 114.58 117.40 2c46 h GLU 150 Ca -0.00 -0.08 -0.17 0.00 -0.50 0.00 0.00 59.36 58.61 2c46 h GLU 150 Cb 0.56 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.27 2c46 h GLU 150 CO 0.04 0.64 -0.48 0.00 -1.40 0.00 0.00 179.01 177.81 2c46 h ALA 151 N 1.22 0.54 0.47 3.43 0.00 -1.80 -2.57 119.26 120.55 2c46 h ALA 151 Ca 0.24 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2c46 h ALA 151 Cb -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2c46 h ALA 151 CO -0.05 0.68 -0.23 0.00 0.00 0.00 0.00 179.25 179.66 2c46 h ALA 152 N 0.75 -0.63 -0.24 0.00 0.00 -1.08 0.13 119.26 118.19 2c46 h ALA 152 Ca 0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2c46 h ALA 152 Cb 1.08 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2c46 h ALA 152 CO 0.11 -0.82 0.15 0.28 0.00 0.00 0.00 179.25 178.97 2c46 h VAL 153 N -0.70 1.09 -0.75 0.00 2.07 -1.27 -1.30 116.25 115.39 2c46 h VAL 153 Ca -0.06 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2c46 h VAL 153 Cb 0.52 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2c46 h VAL 153 CO 0.11 0.09 0.42 0.00 0.02 0.00 0.00 177.57 178.21 2c46 h ALA 154 N 1.05 0.95 -0.72 1.67 0.00 -1.44 -0.77 119.26 120.01 2c46 h ALA 154 Ca 0.09 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2c46 h ALA 154 Cb 0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2c46 h ALA 154 CO -0.02 0.45 0.35 1.15 0.00 0.00 0.00 179.25 181.18 2c46 h THR 155 N 1.03 1.23 -0.69 0.00 2.02 -0.36 -1.02 112.91 115.12 2c46 h THR 155 Ca 0.26 -0.65 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 2c46 h THR 155 Cb 0.01 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 2c46 h THR 155 CO -0.05 0.27 0.25 0.15 0.37 0.00 0.00 175.52 176.52 2c46 h PHE 156 N 1.00 1.07 -0.55 3.16 3.57 -0.99 -1.50 116.94 122.70 2c46 h PHE 156 Ca 0.25 -0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 2c46 h PHE 156 Cb 0.11 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 2c46 h PHE 156 CO 0.01 0.84 0.11 0.00 -2.23 0.00 0.00 178.31 177.03 2c46 h ALA 157 N 1.11 1.16 -0.25 2.41 0.00 -0.80 0.18 119.26 123.06 2c46 h ALA 157 Ca 0.23 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2c46 h ALA 157 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2c46 h ALA 157 CO -0.01 0.57 -0.12 0.37 0.00 0.00 0.00 179.25 180.05 2c46 h GLN 158 N 0.82 0.52 -0.04 0.00 5.75 -1.07 -2.44 115.11 118.66 2c46 h GLN 158 Ca 0.18 -0.23 -0.14 0.00 -0.15 0.00 0.00 58.65 58.30 2c46 h GLN 158 Cb 0.34 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 2c46 h GLN 158 CO 0.00 0.78 -0.63 0.00 -2.65 0.00 0.00 178.83 176.33 2c46 h ALA 159 N 0.73 0.87 -1.89 3.38 0.00 -1.02 -3.38 119.26 117.94 2c46 h ALA 159 Ca 0.06 -0.57 -0.54 0.00 0.00 0.00 0.00 54.91 53.86 2c46 h ALA 159 Cb 0.62 -0.09 -0.38 0.00 0.00 0.00 0.00 17.79 17.95 2c46 h ALA 159 CO 0.04 0.76 -1.07 -2.13 0.00 0.00 0.00 179.25 176.85 2c46 n ARG 160 N -3.83 0.70 -2.08 0.00 3.00 0.60 -0.69 116.66 114.36 2c46 n ARG 160 Ca -0.02 -3.13 -0.41 0.00 -0.00 0.00 0.00 57.85 54.29 2c46 n ARG 160 Cb 0.63 -1.23 -0.02 0.00 0.00 0.00 0.00 32.46 31.84 2c46 n ARG 160 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 2c46 s PRO 161 N -1.05 4.33 0.00 -0.14 0.02 -0.92 0.94 135.00 138.18 2c46 s PRO 161 Ca 0.35 2.25 0.15 0.00 0.02 0.00 0.00 61.00 63.76 2c46 s PRO 161 Cb 0.17 -3.07 0.67 0.00 0.02 0.00 0.00 34.50 32.29 2c46 s PRO 161 CO -0.12 -0.25 1.46 -0.35 -0.33 0.00 0.00 177.00 177.42 2c46 n PRO 162 N 1.01 1.35 0.00 5.54 -0.04 -1.26 -5.04 135.00 136.55 2c46 n PRO 162 Ca 0.01 -0.53 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 2c46 n PRO 162 Cb 0.41 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 2c46 n PRO 162 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2c46 n GLY 163 N 0.88 -1.00 3.66 0.55 0.00 0.27 -4.68 105.19 104.87 2c46 n GLY 163 Ca 0.12 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 2c46 n GLY 163 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c46 s ILE 164 N 0.00 3.45 -0.33 -0.61 1.01 -1.26 -4.73 121.20 118.73 2c46 s ILE 164 Ca 0.00 0.56 0.05 0.00 0.00 0.00 0.00 60.65 61.26 2c46 s ILE 164 Cb 0.00 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 2c46 s ILE 164 CO 0.00 -0.05 0.32 0.00 0.00 0.00 0.00 174.94 175.21 2c46 n TYR 165 N 7.14 0.00 -2.47 3.97 0.18 -1.26 -4.73 117.16 119.99 2c46 n TYR 165 Ca 0.18 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.53 2c46 n TYR 165 Cb 0.42 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.36 2c46 n TYR 165 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 2c46 s LYS 166 N -1.16 3.95 0.22 -3.48 2.20 -1.26 -4.66 119.74 115.54 2c46 s LYS 166 Ca 0.03 1.20 -0.08 0.00 -0.36 0.00 0.00 55.97 56.76 2c46 s LYS 166 Cb 0.04 -3.85 0.29 0.00 -1.51 0.00 0.00 37.83 32.80 2c46 s LYS 166 CO 0.15 -1.07 1.79 0.78 -0.36 0.00 0.00 175.35 176.65 2c46 h GLY 167 N 10.68 1.02 1.71 5.54 0.00 -1.98 -1.83 103.07 118.22 2c46 h GLY 167 Ca -0.25 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 2c46 h GLY 167 CO 1.03 0.11 -0.13 -0.55 0.00 0.00 0.00 176.54 177.01 2c46 h ASP 168 N 0.65 0.34 -0.33 0.19 5.19 -1.99 -0.79 116.42 119.67 2c46 h ASP 168 Ca 0.32 -0.08 -0.06 0.00 -0.62 0.00 0.00 57.03 56.60 2c46 h ASP 168 Cb 0.27 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 2c46 h ASP 168 CO -0.22 0.50 -0.03 1.88 -3.12 0.00 0.00 179.24 178.25 2c46 h TYR 169 N 0.33 0.66 -0.29 4.55 -1.99 -1.75 -0.79 116.97 117.70 2c46 h TYR 169 Ca 0.06 -0.13 -0.00 0.00 2.00 0.00 0.00 58.73 60.67 2c46 h TYR 169 Cb 0.43 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 38.98 2c46 h TYR 169 CO 0.01 0.74 0.17 -0.07 -0.00 0.00 0.00 178.16 179.01 2c46 h LEU 170 N 0.40 0.35 -0.44 3.88 3.38 -1.12 -1.75 115.31 120.00 2c46 h LEU 170 Ca 0.09 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2c46 h LEU 170 Cb 0.49 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 2c46 h LEU 170 CO 0.02 0.31 0.16 0.11 0.09 0.00 0.00 178.44 179.13 2c46 h LYS 171 N 0.37 0.32 -0.44 1.13 6.56 -1.10 -2.66 116.57 120.75 2c46 h LYS 171 Ca 0.10 -0.02 -0.05 0.00 -1.06 0.00 0.00 60.65 59.63 2c46 h LYS 171 Cb 0.02 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.59 2c46 h LYS 171 CO -0.02 0.21 0.10 1.49 -2.06 0.00 0.00 179.45 179.17 2c46 h GLU 172 N 0.33 0.71 -1.00 3.15 4.57 -0.97 -1.06 114.58 120.31 2c46 h GLU 172 Ca 0.20 -0.18 0.06 0.00 -1.18 0.00 0.00 59.36 58.27 2c46 h GLU 172 Cb 0.19 -0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 28.63 2c46 h GLU 172 CO -0.21 0.72 0.64 -0.07 -1.18 0.00 0.00 179.01 178.92 2c46 h LEU 173 N 0.58 1.03 -0.47 1.64 3.38 -1.16 -1.04 115.31 119.27 2c46 h LEU 173 Ca 0.14 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 2c46 h LEU 173 Cb 0.33 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2c46 h LEU 173 CO 0.00 0.66 -0.66 -0.26 0.09 0.00 0.00 178.44 178.27 2c46 h PHE 174 N 1.17 0.00 -0.46 1.13 -1.00 -1.27 -1.00 116.94 115.51 2c46 h PHE 174 Ca 0.43 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.19 2c46 h PHE 174 Cb 0.16 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.70 2c46 h PHE 174 CO -0.00 0.66 0.21 -0.09 -1.61 0.00 0.00 178.31 177.48 2c46 h ARG 175 N 0.00 0.67 -0.03 1.51 2.43 -0.33 0.10 114.38 118.73 2c46 h ARG 175 Ca -0.01 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 2c46 h ARG 175 Cb 1.29 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2c46 h ARG 175 CO 0.09 0.58 -0.09 0.00 -1.51 0.00 0.00 179.97 179.04 2c46 h ARG 176 N 0.60 0.11 -0.01 0.20 3.08 -1.18 -3.40 114.38 113.79 2c46 h ARG 176 Ca 0.16 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2c46 h ARG 176 Cb 0.14 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2c46 h ARG 176 CO -0.02 0.71 -0.07 0.66 -1.07 0.00 0.00 179.97 180.18 2c46 n TYR 177 N -4.68 0.00 -0.07 3.04 4.01 -0.39 -5.03 117.16 114.04 2c46 n TYR 177 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 2c46 n TYR 177 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.39 2c46 n TYR 177 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2c46 n GLY 178 N 0.64 4.61 3.35 2.72 0.00 -0.01 -4.54 105.19 111.97 2c46 n GLY 178 Ca 0.04 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 2c46 n GLY 178 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2c46 s ASP 179 N 1.55 4.31 0.48 1.61 -1.08 -1.04 -4.63 116.67 117.86 2c46 s ASP 179 Ca 0.00 -0.34 0.14 0.00 -0.52 0.00 0.00 52.55 51.83 2c46 s ASP 179 Cb 0.00 -1.72 1.11 0.00 -1.46 0.00 0.00 42.92 40.85 2c46 s ASP 179 CO 0.00 0.05 2.08 -0.29 0.52 0.00 0.00 175.17 177.53 2c46 h ILE 180 N 5.56 1.06 -0.04 4.11 2.10 -1.87 -0.55 117.51 127.88 2c46 h ILE 180 Ca -0.37 -0.25 0.01 0.00 1.08 0.00 0.00 64.86 65.33 2c46 h ILE 180 Cb 1.18 1.05 -0.00 0.00 -1.09 0.00 0.00 36.82 37.95 2c46 h ILE 180 CO 0.60 0.08 0.05 -0.08 -1.08 0.00 0.00 178.15 177.71 2c46 h GLU 181 N 0.08 0.00 -0.01 2.19 4.57 -1.95 -2.90 114.58 116.57 2c46 h GLU 181 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2c46 h GLU 181 Cb 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 2c46 h GLU 181 CO 0.00 0.00 -0.40 0.39 -1.18 0.00 0.00 179.01 177.83 2c46 n GLU 182 N -3.71 0.76 -1.63 1.92 -0.58 -0.22 -4.97 120.64 112.21 2c46 n GLU 182 Ca -0.02 -0.52 -0.46 0.00 -0.42 0.00 0.00 57.16 55.74 2c46 n GLU 182 Cb 0.13 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.49 2c46 n GLU 182 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2c46 n ALA 183 N -0.66 0.37 -1.34 0.62 0.00 -1.10 -4.91 120.51 113.49 2c46 n ALA 183 Ca 0.10 0.43 -0.32 0.00 0.00 0.00 0.00 53.44 53.64 2c46 n ALA 183 Cb 0.38 -2.17 0.08 0.00 0.00 0.00 0.00 19.45 17.73 2c46 n ALA 183 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2c46 s PRO 184 N -0.55 2.40 0.59 0.00 0.02 -1.26 -4.97 135.00 131.23 2c46 s PRO 184 Ca 0.69 1.35 -0.17 0.00 0.02 0.00 0.00 61.00 62.89 2c46 s PRO 184 Cb -0.72 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 31.87 2c46 s PRO 184 CO 0.52 -1.56 1.09 -1.25 -0.33 0.00 0.00 177.00 175.47 2c46 s PRO 185 N -4.43 3.19 0.23 5.54 0.04 -1.26 -4.89 135.00 133.42 2c46 s PRO 185 Ca 0.65 1.38 -0.31 0.00 0.04 0.00 0.00 61.00 62.76 2c46 s PRO 185 Cb -0.20 -2.00 -0.14 0.00 0.04 0.00 0.00 34.50 32.20 2c46 s PRO 185 CO 0.49 -0.94 1.31 -2.30 0.04 0.00 0.00 177.00 175.59 2c46 n PRO 186 N -1.90 1.75 -1.44 0.56 -0.02 -1.26 -4.93 135.00 127.76 2c46 n PRO 186 Ca 0.10 0.62 -0.30 0.00 -2.02 0.00 0.00 63.50 61.90 2c46 n PRO 186 Cb 0.52 -2.21 0.10 0.00 -0.02 0.00 0.00 33.50 31.89 2c46 n PRO 186 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2c46 s PRO 187 N -0.55 1.89 0.32 0.52 0.04 -1.26 -4.99 135.00 130.97 2c46 s PRO 187 Ca 0.68 0.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.17 2c46 s PRO 187 Cb -0.71 -1.89 -0.11 0.00 0.04 0.00 0.00 34.50 31.84 2c46 s PRO 187 CO 0.52 -1.78 1.41 -0.51 0.04 0.00 0.00 177.00 176.68 2c46 s LEU 188 N -5.90 4.38 -0.05 -3.56 1.43 -1.26 -4.99 118.68 108.72 2c46 s LEU 188 Ca 0.61 2.81 -0.10 0.00 -1.03 0.00 0.00 54.13 56.43 2c46 s LEU 188 Cb -0.16 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.37 2c46 s LEU 188 CO 0.55 -0.70 0.26 -0.76 0.23 0.00 0.00 176.35 175.93 2c46 s LEU 189 N -1.48 4.42 0.84 1.79 1.43 -1.26 -4.87 118.68 119.54 2c46 s LEU 189 Ca 0.53 0.67 -0.11 0.00 -1.03 0.00 0.00 54.13 54.19 2c46 s LEU 189 Cb -0.43 -2.37 0.09 0.00 0.03 0.00 0.00 46.19 43.52 2c46 s LEU 189 CO 0.54 0.35 1.09 -2.16 0.23 0.00 0.00 176.35 176.40 2c46 s PRO 190 N -1.17 1.75 0.39 1.29 0.04 -1.26 -4.94 135.00 131.09 2c46 s PRO 190 Ca 0.20 0.85 0.08 0.00 0.04 0.00 0.00 61.00 62.18 2c46 s PRO 190 Cb -0.14 -1.86 0.83 0.00 0.04 0.00 0.00 34.50 33.37 2c46 s PRO 190 CO 0.10 -1.91 1.98 0.22 0.04 0.00 0.00 177.00 177.42 2c46 h ASP 191 N -1.31 0.56 1.15 6.66 3.58 -1.99 -1.49 116.42 123.57 2c46 h ASP 191 Ca -0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.98 2c46 h ASP 191 Cb 1.27 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2c46 h ASP 191 CO 0.55 0.36 0.00 4.11 -2.88 0.00 0.00 179.24 181.38 2c46 h TRP 192 N 0.64 0.00 -3.36 0.28 5.08 -1.93 -3.42 115.95 113.24 2c46 h TRP 192 Ca 0.28 0.00 -0.73 0.00 1.08 0.00 0.00 58.89 59.52 2c46 h TRP 192 Cb 0.28 0.00 -0.25 0.00 -3.00 0.00 0.00 29.16 26.19 2c46 h TRP 192 CO -0.00 0.00 -0.39 0.00 -1.28 0.00 0.00 178.44 176.77 2c46 s PHE 194 N 1.53 -0.45 -0.21 0.00 -0.71 -1.26 -4.60 117.98 112.28 2c46 s PHE 194 Ca 0.04 0.33 -0.05 0.00 -1.04 0.00 0.00 56.93 56.21 2c46 s PHE 194 Cb -0.24 0.43 -0.02 0.00 -1.21 0.00 0.00 43.02 41.98 2c46 s PHE 194 CO 0.04 -0.75 -0.00 -2.00 -1.34 0.00 0.00 175.22 171.17 2c46 s GLU 195 N -3.23 3.56 -0.30 1.99 -6.30 -1.26 -5.01 118.70 108.15 2c46 s GLU 195 Ca -0.01 -0.54 -0.04 0.00 -2.50 0.00 0.00 54.97 51.88 2c46 s GLU 195 Cb -0.00 -3.09 0.18 0.00 0.00 0.00 0.00 34.13 31.21 2c46 s GLU 195 CO -0.08 -0.07 0.65 0.34 0.02 0.00 0.00 175.26 176.12 2c46 s ASP 196 N 1.22 -1.25 0.46 -1.70 -1.08 -1.26 -5.04 116.67 108.02 2c46 s ASP 196 Ca 0.03 0.97 0.31 0.00 -0.52 0.00 0.00 52.55 53.34 2c46 s ASP 196 Cb -0.15 2.13 1.30 0.00 -1.46 0.00 0.00 42.92 44.74 2c46 s ASP 196 CO 0.01 -0.24 1.91 0.44 0.52 0.00 0.00 175.17 177.82 2c46 h ASP 197 N 7.99 0.00 0.02 -0.34 3.45 -2.06 -2.97 116.42 122.51 2c46 h ASP 197 Ca -0.21 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.25 2c46 h ASP 197 Cb 1.15 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.92 2c46 h ASP 197 CO 0.20 0.00 -0.30 -0.62 -1.57 0.00 0.00 179.24 176.95 2c46 n GLU 198 N -2.81 1.45 -2.40 3.56 4.71 -1.26 -4.93 120.64 118.95 2c46 n GLU 198 Ca 0.01 -1.14 -0.42 0.00 -0.01 0.00 0.00 57.16 55.60 2c46 n GLU 198 Cb 0.27 -1.48 -0.03 0.00 -1.01 0.00 0.00 31.44 29.19 2c46 n GLU 198 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2c46 s ASP 199 N -2.34 7.02 0.00 1.62 -1.08 -1.13 -5.31 116.67 115.46 2c46 s ASP 199 Ca 0.23 1.94 0.25 0.00 -0.52 0.00 0.00 52.55 54.45 2c46 s ASP 199 Cb 0.19 -2.57 0.40 0.00 -1.46 0.00 0.00 42.92 39.49 2c46 s ASP 199 CO 0.49 -0.57 1.38 1.21 0.52 0.00 0.00 175.17 178.20