#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d2b s ASN 4 N 0.00 5.37 0.52 0.41 0.01 -1.26 -4.96 114.94 115.03 3d2b s ASN 4 Ca 0.00 1.92 -0.22 0.00 -0.71 0.00 0.00 52.86 53.85 3d2b s ASN 4 Cb 0.00 -2.54 -0.06 0.00 0.41 0.00 0.00 41.25 39.06 3d2b s ASN 4 CO 0.00 -1.45 1.33 -2.84 -1.51 0.00 0.00 177.10 172.64 3d2b s PRO 5 N -4.11 3.34 -0.15 -0.60 0.02 -1.26 -4.65 135.00 127.60 3d2b s PRO 5 Ca 0.65 2.18 -0.04 0.00 0.02 0.00 0.00 61.00 63.81 3d2b s PRO 5 Cb -0.19 -2.35 -0.03 0.00 0.02 0.00 0.00 34.50 31.96 3d2b s PRO 5 CO 0.40 -1.02 -0.01 0.08 -0.33 0.00 0.00 177.00 176.12 3d2b s VAL 6 N -1.33 4.14 -0.22 3.83 1.01 -0.17 -1.06 120.40 126.60 3d2b s VAL 6 Ca 0.68 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 62.35 3d2b s VAL 6 Cb -0.39 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 3d2b s VAL 6 CO 0.47 0.51 -0.04 -0.69 0.00 0.00 0.00 175.10 175.34 3d2b s VAL 7 N 0.14 3.40 -0.19 2.92 1.01 0.18 0.58 120.40 128.45 3d2b s VAL 7 Ca 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 3d2b s VAL 7 Cb -0.13 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 3d2b s VAL 7 CO 0.02 0.42 0.08 -0.04 0.00 0.00 0.00 175.10 175.59 3d2b s MET 8 N 1.43 4.02 -0.23 2.72 -1.94 0.10 -1.49 119.30 123.92 3d2b s MET 8 Ca 0.05 -0.31 -0.02 0.00 -1.71 0.00 0.00 55.69 53.70 3d2b s MET 8 Cb -0.14 -3.26 0.01 0.00 2.01 0.00 0.00 34.83 33.45 3d2b s MET 8 CO -0.03 0.29 -0.08 0.08 -0.01 0.00 0.00 175.02 175.27 3d2b s VAL 9 N 0.34 2.90 0.83 -6.03 1.01 0.15 -1.82 120.40 117.78 3d2b s VAL 9 Ca 0.04 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 3d2b s VAL 9 Cb -0.12 -2.37 0.12 0.00 0.00 0.00 0.00 36.38 34.00 3d2b s VAL 9 CO -0.00 0.34 1.18 -1.38 0.00 0.00 0.00 175.10 175.24 3d2b s HIS 10 N 1.37 2.42 0.00 5.22 -3.43 -1.26 -1.22 115.29 118.39 3d2b s HIS 10 Ca 0.03 0.48 0.00 0.00 -0.80 0.00 0.00 55.06 54.77 3d2b s HIS 10 Cb -0.15 -3.61 0.00 0.00 -1.43 0.00 0.00 32.58 27.39 3d2b s HIS 10 CO -0.06 -1.98 0.00 0.41 -2.00 0.00 0.00 174.74 171.11 3d2b n GLY 11 N -3.35 2.23 3.67 -1.38 0.00 -1.22 -3.31 105.19 101.83 3d2b n GLY 11 Ca 0.11 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 3d2b n GLY 11 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3d2b n ILE 12 N -0.47 0.64 -0.94 -0.61 5.41 -1.26 -1.15 119.36 120.98 3d2b n ILE 12 Ca 0.00 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.64 3d2b n ILE 12 Cb 0.00 -2.25 0.00 0.00 -0.71 0.00 0.00 39.64 36.68 3d2b n ILE 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3d2b n GLY 13 N 4.45 0.71 0.00 7.39 0.00 -1.26 -5.01 105.19 111.47 3d2b n GLY 13 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3d2b n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d2b n GLY 14 N -2.10 -0.65 3.59 -0.02 0.00 -0.30 -5.13 105.19 100.58 3d2b n GLY 14 Ca 0.00 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.22 3d2b n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d2b s ALA 15 N -3.76 -1.58 0.54 4.61 0.00 -1.26 -4.87 121.76 115.44 3d2b s ALA 15 Ca 0.00 0.38 0.24 0.00 0.00 0.00 0.00 51.96 52.58 3d2b s ALA 15 Cb 0.00 0.73 1.42 0.00 0.00 0.00 0.00 23.12 25.27 3d2b s ALA 15 CO 0.00 -0.85 2.05 0.66 0.00 0.00 0.00 175.76 177.62 3d2b h SER 16 N 2.00 0.00 0.30 0.00 4.64 -1.87 -0.24 113.55 118.38 3d2b h SER 16 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3d2b h SER 16 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3d2b h SER 16 CO 0.31 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.73 3d2b n SER 17 N -4.29 0.00 0.29 4.97 3.41 -1.26 -2.06 113.62 114.69 3d2b n SER 17 Ca 0.05 0.41 0.18 0.00 -0.26 0.00 0.00 58.87 59.25 3d2b n SER 17 Cb 0.42 -0.44 0.84 0.00 -0.26 0.00 0.00 64.21 64.77 3d2b n SER 17 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3d2b h ASN 18 N 0.00 0.00 -0.48 4.04 2.35 -1.45 -3.05 115.58 117.00 3d2b h ASN 18 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3d2b h ASN 18 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3d2b h ASN 18 CO 0.00 0.02 0.00 0.49 -1.65 0.00 0.00 177.43 176.29 3d2b n PHE 19 N -3.16 1.51 -0.18 1.19 3.72 -0.87 -4.50 117.46 115.16 3d2b n PHE 19 Ca -0.01 -0.54 -0.06 0.00 -0.05 0.00 0.00 57.45 56.79 3d2b n PHE 19 Cb 0.24 -0.36 0.03 0.00 -0.94 0.00 0.00 39.48 38.45 3d2b n PHE 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3d2b h ALA 20 N 3.68 0.68 -0.41 4.37 0.00 -1.75 -0.34 119.26 125.48 3d2b h ALA 20 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3d2b h ALA 20 Cb 1.53 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3d2b h ALA 20 CO 0.33 0.07 -0.03 0.78 0.00 0.00 0.00 179.25 180.40 3d2b h GLY 21 N 0.67 0.79 1.15 0.00 0.00 -1.82 -1.82 103.07 102.05 3d2b h GLY 21 Ca 0.21 -0.60 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 3d2b h GLY 21 CO -0.07 0.55 0.06 -2.22 0.00 0.00 0.00 176.54 174.86 3d2b h ILE 22 N 0.56 1.26 -0.20 2.60 2.04 -1.66 -1.49 117.51 120.61 3d2b h ILE 22 Ca 0.11 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 3d2b h ILE 22 Cb 0.52 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3d2b h ILE 22 CO 0.03 0.39 0.05 0.11 0.00 0.00 0.00 178.15 178.73 3d2b h LYS 23 N 0.96 0.32 -0.36 2.37 1.57 -0.98 -1.04 116.57 119.42 3d2b h LYS 23 Ca 0.18 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 58.96 3d2b h LYS 23 Cb 0.47 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.68 3d2b h LYS 23 CO 0.02 0.44 -0.01 1.03 -0.57 0.00 0.00 179.45 180.35 3d2b h SER 24 N 0.15 -0.17 0.26 0.86 0.87 -1.15 -0.69 113.55 113.67 3d2b h SER 24 Ca 0.06 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3d2b h SER 24 Cb 0.25 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 3d2b h SER 24 CO -0.00 -0.05 -0.18 0.22 -0.53 0.00 0.00 176.83 176.29 3d2b h TYR 25 N 0.08 -0.47 -0.79 2.24 3.20 -1.09 -1.84 116.97 118.31 3d2b h TYR 25 Ca 0.17 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.09 3d2b h TYR 25 Cb 0.24 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.63 3d2b h TYR 25 CO -0.26 -0.28 0.48 -0.07 -1.64 0.00 0.00 178.16 176.40 3d2b h LEU 26 N -0.43 0.77 -1.03 2.82 3.38 -0.88 -0.97 115.31 118.97 3d2b h LEU 26 Ca -0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3d2b h LEU 26 Cb 0.37 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3d2b h LEU 26 CO 0.01 0.51 0.56 0.58 0.09 0.00 0.00 178.44 180.19 3d2b h VAL 27 N 0.91 1.25 0.00 1.22 2.07 -0.97 0.11 116.25 120.83 3d2b h VAL 27 Ca 0.34 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3d2b h VAL 27 Cb 0.12 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 3d2b h VAL 27 CO -0.15 0.25 0.00 0.77 0.02 0.00 0.00 177.57 178.46 3d2b h SER 28 N 1.25 0.00 -0.49 0.57 4.64 -0.33 -2.55 113.55 116.64 3d2b h SER 28 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3d2b h SER 28 Cb -0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3d2b h SER 28 CO -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.90 3d2b n GLN 29 N -2.98 2.53 0.00 4.77 1.13 -0.08 -4.95 117.38 117.81 3d2b n GLN 29 Ca -0.00 -2.34 0.00 0.00 -1.94 0.00 0.00 57.00 52.72 3d2b n GLN 29 Cb 0.23 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 29.06 3d2b n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3d2b n GLY 30 N 1.54 1.33 3.80 1.08 0.00 -0.96 -5.06 105.19 106.91 3d2b n GLY 30 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3d2b n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3d2b s TRP 31 N -2.02 3.12 -0.14 1.61 0.51 -0.59 -4.99 118.94 116.44 3d2b s TRP 31 Ca 0.00 1.60 -0.22 0.00 -2.12 0.00 0.00 56.10 55.36 3d2b s TRP 31 Cb 0.00 -3.04 -0.03 0.00 -0.81 0.00 0.00 33.47 29.60 3d2b s TRP 31 CO 0.00 -0.64 0.68 0.45 -0.51 0.00 0.00 176.95 176.93 3d2b s SER 32 N -1.93 6.85 0.32 2.95 0.15 -1.26 -4.16 113.70 116.62 3d2b s SER 32 Ca 0.64 1.03 0.03 0.00 0.70 0.00 0.00 55.95 58.35 3d2b s SER 32 Cb -0.16 -2.39 0.63 0.00 -1.71 0.00 0.00 66.02 62.39 3d2b s SER 32 CO 0.20 -0.22 1.90 -0.09 1.20 0.00 0.00 173.24 176.24 3d2b h ARG 33 N 7.12 0.88 0.00 5.44 2.43 -1.94 -0.39 114.38 127.92 3d2b h ARG 33 Ca -0.35 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 3d2b h ARG 33 Cb 1.16 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 3d2b h ARG 33 CO 0.78 0.58 0.00 -0.40 -1.51 0.00 0.00 179.97 179.42 3d2b n ASP 34 N -4.51 0.00 -0.58 -3.80 5.68 -1.26 -2.07 116.55 110.00 3d2b n ASP 34 Ca 0.14 -0.92 0.06 0.00 -0.50 0.00 0.00 54.79 53.57 3d2b n ASP 34 Cb 0.27 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.42 3d2b n ASP 34 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3d2b n LYS 35 N -0.91 2.76 -3.88 0.11 4.76 -0.16 -4.89 118.16 115.96 3d2b n LYS 35 Ca 0.16 -2.29 -0.35 0.00 -2.87 0.00 0.00 58.31 52.95 3d2b n LYS 35 Cb 0.07 -1.44 -0.13 0.00 -1.84 0.00 0.00 35.03 31.68 3d2b n LYS 35 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3d2b s LEU 36 N -1.78 3.92 0.18 -0.35 1.43 -0.88 -1.00 118.68 120.20 3d2b s LEU 36 Ca 0.27 -1.21 0.08 0.00 -1.03 0.00 0.00 54.13 52.24 3d2b s LEU 36 Cb 0.19 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 3d2b s LEU 36 CO 0.10 -0.26 -0.03 -0.31 0.23 0.00 0.00 176.35 176.08 3d2b s TYR 37 N 1.29 2.78 -0.04 0.29 1.51 0.20 -4.97 117.35 118.41 3d2b s TYR 37 Ca -0.04 -0.16 -0.01 0.00 -1.01 0.00 0.00 57.07 55.84 3d2b s TYR 37 Cb -0.19 -1.35 0.03 0.00 -0.11 0.00 0.00 41.96 40.34 3d2b s TYR 37 CO -0.00 0.52 0.06 0.00 -1.11 0.00 0.00 175.55 175.01 3d2b s ALA 38 N -1.72 0.12 0.71 3.71 0.00 -1.26 0.02 121.76 123.34 3d2b s ALA 38 Ca 0.27 0.28 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 3d2b s ALA 38 Cb -0.09 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.58 3d2b s ALA 38 CO 0.17 -0.32 1.09 0.54 0.00 0.00 0.00 175.76 177.25 3d2b s VAL 39 N 1.67 3.50 -0.11 0.00 0.11 -0.76 -4.80 120.40 120.01 3d2b s VAL 39 Ca -0.02 0.49 -0.01 0.00 -2.93 0.00 0.00 61.98 59.50 3d2b s VAL 39 Cb -0.12 -3.44 0.04 0.00 -1.53 0.00 0.00 36.38 31.32 3d2b s VAL 39 CO -0.03 -0.63 -0.01 -1.81 -3.33 0.00 0.00 175.10 169.29 3d2b s ASP 40 N -4.27 2.04 0.01 3.54 1.01 -1.26 -3.60 116.67 114.13 3d2b s ASP 40 Ca 0.58 -0.31 -0.15 0.00 0.71 0.00 0.00 52.55 53.38 3d2b s ASP 40 Cb -0.12 -0.57 -0.06 0.00 1.01 0.00 0.00 42.92 43.19 3d2b s ASP 40 CO 0.52 -0.21 0.42 -0.36 0.21 0.00 0.00 175.17 175.76 3d2b s PHE 41 N 1.89 3.73 -0.34 4.23 0.08 -1.26 -4.98 117.98 121.32 3d2b s PHE 41 Ca 0.03 1.01 0.23 0.00 0.12 0.00 0.00 56.93 58.32 3d2b s PHE 41 Cb -0.13 -2.30 0.04 0.00 -0.57 0.00 0.00 43.02 40.06 3d2b s PHE 41 CO -0.06 0.64 1.05 -2.67 -0.10 0.00 0.00 175.22 174.08 3d2b n TRP 42 N 1.78 0.74 -2.41 0.36 4.27 -1.26 -4.78 117.44 116.15 3d2b n TRP 42 Ca -0.14 0.22 -0.41 0.00 -3.89 0.00 0.00 57.50 53.28 3d2b n TRP 42 Cb 0.52 -0.81 -0.03 0.00 -1.36 0.00 0.00 31.31 29.64 3d2b n TRP 42 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 3d2b s ASP 43 N -4.91 6.13 0.00 -0.67 -1.08 -1.26 -4.86 116.67 110.03 3d2b s ASP 43 Ca 0.01 0.22 0.13 0.00 -0.52 0.00 0.00 52.55 52.39 3d2b s ASP 43 Cb 0.11 -2.55 0.67 0.00 -1.46 0.00 0.00 42.92 39.70 3d2b s ASP 43 CO 0.79 -1.72 1.35 0.29 0.52 0.00 0.00 175.17 176.40 3d2b n LYS 44 N 8.71 0.19 -0.00 4.34 4.76 -1.26 -1.88 118.16 133.01 3d2b n LYS 44 Ca 0.12 0.16 0.09 0.00 -2.87 0.00 0.00 58.31 55.81 3d2b n LYS 44 Cb 0.49 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.07 3d2b n LYS 44 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3d2b n THR 45 N -1.29 0.00 -2.30 -0.18 -2.24 -1.26 -4.07 114.28 102.94 3d2b n THR 45 Ca 0.06 -0.11 -0.14 0.00 -2.27 0.00 0.00 64.05 61.60 3d2b n THR 45 Cb 0.11 0.87 -0.00 0.00 -2.10 0.00 0.00 70.33 69.20 3d2b n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d2b n GLY 46 N 1.44 -0.19 3.77 3.38 0.00 -0.79 -4.92 105.19 107.88 3d2b n GLY 46 Ca 0.03 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 3d2b n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d2b s THR 47 N -2.70 2.49 0.34 2.61 -4.23 -1.26 -4.85 115.64 108.04 3d2b s THR 47 Ca 0.02 0.43 0.04 0.00 -1.18 0.00 0.00 61.69 60.99 3d2b s THR 47 Cb -0.01 -3.25 0.18 0.00 1.34 0.00 0.00 72.50 70.76 3d2b s THR 47 CO 0.02 0.05 1.90 0.78 -0.54 0.00 0.00 174.62 176.83 3d2b h ASN 48 N 2.47 0.52 -0.59 3.99 2.35 -1.94 0.53 115.58 122.90 3d2b h ASN 48 Ca -0.50 -0.08 0.12 0.00 -0.55 0.00 0.00 56.30 55.29 3d2b h ASN 48 Cb 1.25 -0.13 -0.11 0.00 0.05 0.00 0.00 38.32 39.38 3d2b h ASN 48 CO 0.62 0.55 -0.18 0.22 -1.65 0.00 0.00 177.43 176.98 3d2b h TYR 49 N 0.55 -0.42 0.08 1.19 3.20 -2.00 0.22 116.97 119.80 3d2b h TYR 49 Ca 0.12 0.06 -0.37 0.00 3.14 0.00 0.00 58.73 61.68 3d2b h TYR 49 Cb 0.26 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.77 3d2b h TYR 49 CO 0.01 -0.28 -2.12 0.09 -1.64 0.00 0.00 178.16 174.22 3d2b n ASN 50 N -5.42 1.92 0.01 -2.11 3.02 -1.05 -4.43 115.26 107.20 3d2b n ASN 50 Ca 0.06 0.12 -0.08 0.00 -0.03 0.00 0.00 54.58 54.66 3d2b n ASN 50 Cb 0.32 -0.62 0.09 0.00 -0.61 0.00 0.00 39.78 38.97 3d2b n ASN 50 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3d2b h ASN 51 N 0.05 0.57 0.14 6.41 -0.26 -0.87 -3.13 115.58 118.48 3d2b h ASN 51 Ca -0.46 -0.27 0.02 0.00 -0.56 0.00 0.00 56.30 55.02 3d2b h ASN 51 Cb 2.01 -0.16 -0.04 0.00 -1.06 0.00 0.00 38.32 39.06 3d2b h ASN 51 CO 0.04 0.95 -0.39 1.23 -1.06 0.00 0.00 177.43 178.20 3d2b h GLY 52 N 1.09 -0.79 1.31 2.83 0.00 -1.13 0.69 103.07 107.07 3d2b h GLY 52 Ca 0.02 0.47 0.02 0.00 0.00 0.00 0.00 47.33 47.84 3d2b h GLY 52 CO 0.09 -0.27 0.44 -2.55 0.00 0.00 0.00 176.54 174.24 3d2b h PRO 53 N -0.64 0.83 -0.38 4.80 0.11 -1.77 -0.02 132.00 134.92 3d2b h PRO 53 Ca 0.02 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 3d2b h PRO 53 Cb 0.66 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 3d2b h PRO 53 CO -0.22 0.55 0.09 0.28 -0.21 0.00 0.00 178.00 178.49 3d2b h VAL 54 N 0.85 1.23 -0.73 3.15 2.07 -1.38 -0.85 116.25 120.59 3d2b h VAL 54 Ca 0.25 -0.80 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 3d2b h VAL 54 Cb -0.04 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3d2b h VAL 54 CO -0.06 0.27 0.23 0.25 0.02 0.00 0.00 177.57 178.28 3d2b h LEU 55 N 0.48 1.06 -0.14 2.57 5.85 -0.36 -0.42 115.31 124.36 3d2b h LEU 55 Ca 0.12 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.65 3d2b h LEU 55 Cb 0.32 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3d2b h LEU 55 CO 0.00 0.99 0.03 -1.28 -0.34 0.00 0.00 178.44 177.84 3d2b h SER 56 N 1.08 0.02 -0.60 1.25 0.87 -0.72 0.44 113.55 115.89 3d2b h SER 56 Ca 0.24 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.74 3d2b h SER 56 Cb 0.30 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 3d2b h SER 56 CO -0.01 0.03 0.09 0.03 -0.53 0.00 0.00 176.83 176.45 3d2b h ARG 57 N 0.09 1.03 -0.35 2.24 3.08 -0.94 -2.09 114.38 117.44 3d2b h ARG 57 Ca 0.06 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 3d2b h ARG 57 Cb 0.05 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3d2b h ARG 57 CO -0.08 0.95 0.15 0.35 -1.07 0.00 0.00 179.97 180.28 3d2b h PHE 58 N 0.96 0.51 -0.42 3.04 3.57 -0.66 -2.05 116.94 121.89 3d2b h PHE 58 Ca 0.19 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 3d2b h PHE 58 Cb 0.43 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 3d2b h PHE 58 CO 0.03 0.46 0.17 0.28 -2.23 0.00 0.00 178.31 177.02 3d2b h VAL 59 N 0.42 1.20 -0.99 1.41 2.07 -0.80 -1.72 116.25 117.84 3d2b h VAL 59 Ca 0.12 -0.61 0.08 0.00 0.82 0.00 0.00 66.70 67.11 3d2b h VAL 59 Cb 0.15 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 3d2b h VAL 59 CO -0.01 0.22 0.63 -0.61 0.02 0.00 0.00 177.57 177.82 3d2b h GLN 60 N 0.54 1.08 -0.49 1.57 5.75 -1.24 0.67 115.11 122.98 3d2b h GLN 60 Ca 0.14 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 3d2b h GLN 60 Cb 0.19 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 3d2b h GLN 60 CO -0.01 0.71 0.20 -0.22 -2.65 0.00 0.00 178.83 176.86 3d2b h LYS 61 N 1.11 0.73 -0.48 1.69 3.64 -0.97 0.02 116.57 122.31 3d2b h LYS 61 Ca 0.44 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.68 3d2b h LYS 61 Cb 0.24 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 3d2b h LYS 61 CO -0.20 0.65 0.26 0.28 -2.27 0.00 0.00 179.45 178.18 3d2b h VAL 62 N 0.65 1.17 -0.42 2.00 2.07 -0.28 -1.09 116.25 120.34 3d2b h VAL 62 Ca 0.16 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3d2b h VAL 62 Cb 0.19 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3d2b h VAL 62 CO -0.01 0.18 0.17 -0.07 0.02 0.00 0.00 177.57 177.85 3d2b h LEU 63 N 0.63 0.58 -0.92 2.57 3.38 -0.69 -0.84 115.31 120.02 3d2b h LEU 63 Ca 0.17 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3d2b h LEU 63 Cb 0.05 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3d2b h LEU 63 CO -0.03 0.58 0.52 0.44 0.09 0.00 0.00 178.44 180.05 3d2b h ASP 64 N 0.54 1.13 0.00 -0.43 3.32 -0.71 0.31 116.42 120.59 3d2b h ASP 64 Ca 0.14 -0.09 -0.21 0.00 0.02 0.00 0.00 57.03 56.90 3d2b h ASP 64 Cb 0.18 -0.29 0.02 0.00 0.22 0.00 0.00 39.33 39.46 3d2b h ASP 64 CO -0.01 0.89 -0.81 -0.33 -1.72 0.00 0.00 179.24 177.26 3d2b h GLU 65 N 1.28 0.55 0.00 3.56 5.08 -1.05 -3.33 114.58 120.66 3d2b h GLU 65 Ca 0.33 -0.59 -0.17 0.00 -1.00 0.00 0.00 59.36 57.93 3d2b h GLU 65 Cb -0.01 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3d2b h GLU 65 CO -0.06 1.21 -0.89 1.79 -1.00 0.00 0.00 179.01 180.06 3d2b h THR 66 N 0.12 1.14 0.00 1.13 1.35 -1.11 -3.47 112.91 112.07 3d2b h THR 66 Ca -0.10 -2.68 0.00 0.00 -0.55 0.00 0.00 66.41 63.08 3d2b h THR 66 Cb 1.49 2.54 0.00 0.00 -1.73 0.00 0.00 68.15 70.45 3d2b h THR 66 CO 0.16 0.65 0.00 0.61 -0.25 0.00 0.00 175.52 176.69 3d2b n GLY 67 N 1.32 0.67 3.80 5.82 0.00 0.11 -5.02 105.19 111.89 3d2b n GLY 67 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3d2b n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d2b s ALA 68 N -2.65 2.64 0.06 4.61 0.00 -1.23 -4.97 121.76 120.22 3d2b s ALA 68 Ca 0.00 0.35 -0.03 0.00 0.00 0.00 0.00 51.96 52.29 3d2b s ALA 68 Cb 0.00 -3.24 -0.28 0.00 0.00 0.00 0.00 23.12 19.60 3d2b s ALA 68 CO 0.00 -1.06 1.07 -0.22 0.00 0.00 0.00 175.76 175.55 3d2b h LYS 69 N 0.01 0.24 -3.73 0.00 3.64 -1.95 -3.45 116.57 111.33 3d2b h LYS 69 Ca -0.46 -0.41 -0.08 0.00 -1.27 0.00 0.00 60.65 58.43 3d2b h LYS 69 Cb 1.22 0.15 -0.13 0.00 -0.41 0.00 0.00 32.23 33.06 3d2b h LYS 69 CO 0.56 1.16 -0.30 0.15 -2.27 0.00 0.00 179.45 178.76 3d2b s LYS 70 N -2.65 0.95 0.33 1.90 1.02 -1.26 -4.78 119.74 115.25 3d2b s LYS 70 Ca -0.05 -0.95 0.09 0.00 0.02 0.00 0.00 55.97 55.08 3d2b s LYS 70 Cb 0.07 0.38 -0.05 0.00 -0.52 0.00 0.00 37.83 37.71 3d2b s LYS 70 CO 0.87 -0.33 0.04 0.14 -0.92 0.00 0.00 175.35 175.15 3d2b s VAL 71 N -3.87 2.82 0.20 3.17 -7.23 -0.49 -4.16 120.40 110.84 3d2b s VAL 71 Ca 0.07 -1.91 0.07 0.00 -1.81 0.00 0.00 61.98 58.40 3d2b s VAL 71 Cb 0.04 -2.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 3d2b s VAL 71 CO -0.09 -0.22 0.06 -1.81 -0.31 0.00 0.00 175.10 172.72 3d2b s ASP 72 N -3.74 5.00 -0.02 4.85 1.01 -0.23 -1.71 116.67 121.85 3d2b s ASP 72 Ca 0.35 -0.36 0.03 0.00 0.71 0.00 0.00 52.55 53.28 3d2b s ASP 72 Cb -0.02 -1.13 -0.00 0.00 1.01 0.00 0.00 42.92 42.77 3d2b s ASP 72 CO 0.20 0.05 -0.11 -0.63 0.21 0.00 0.00 175.17 174.89 3d2b s ILE 73 N -1.90 0.94 -0.20 0.77 1.01 0.36 -0.65 121.20 121.54 3d2b s ILE 73 Ca 0.30 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.48 3d2b s ILE 73 Cb -0.09 -0.80 0.03 0.00 0.01 0.00 0.00 42.46 41.62 3d2b s ILE 73 CO 0.21 0.27 -0.15 -0.69 0.00 0.00 0.00 174.94 174.58 3d2b s VAL 74 N -0.09 1.90 0.04 2.92 1.01 -0.55 -0.55 120.40 125.07 3d2b s VAL 74 Ca 0.01 -1.06 0.08 0.00 0.00 0.00 0.00 61.98 61.02 3d2b s VAL 74 Cb -0.07 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 3d2b s VAL 74 CO 0.00 0.31 -0.24 0.00 0.00 0.00 0.00 175.10 175.18 3d2b s ALA 75 N 1.31 2.01 -0.04 5.51 0.00 0.34 -0.67 121.76 130.21 3d2b s ALA 75 Ca 0.00 -1.15 0.06 0.00 0.00 0.00 0.00 51.96 50.87 3d2b s ALA 75 Cb -0.15 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 3d2b s ALA 75 CO -0.10 0.47 -0.21 -1.58 0.00 0.00 0.00 175.76 174.34 3d2b s HIS 76 N -0.77 2.50 0.00 0.00 5.65 -0.36 0.05 115.29 122.37 3d2b s HIS 76 Ca 0.10 -0.43 0.00 0.00 0.25 0.00 0.00 55.06 54.97 3d2b s HIS 76 Cb -0.09 -1.58 0.00 0.00 -1.18 0.00 0.00 32.58 29.72 3d2b s HIS 76 CO 0.02 -0.02 0.00 0.45 -0.65 0.00 0.00 174.74 174.53 3d2b n SER 77 N 2.59 0.00 0.32 9.88 2.88 -0.63 -0.00 113.62 128.65 3d2b n SER 77 Ca -0.17 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.57 3d2b n SER 77 Cb 0.52 0.00 1.05 0.00 -0.75 0.00 0.00 64.21 65.03 3d2b n SER 77 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3d2b h MET 78 N 0.00 0.00 -0.23 -1.46 1.85 -1.85 0.09 114.93 113.33 3d2b h MET 78 Ca 0.00 0.00 0.05 0.00 -0.61 0.00 0.00 59.70 59.14 3d2b h MET 78 Cb 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 3d2b h MET 78 CO 0.00 0.01 0.16 0.78 -0.40 0.00 0.00 176.91 177.46 3d2b h GLY 79 N 0.46 0.12 0.78 1.39 0.00 -0.42 -0.57 103.07 104.83 3d2b h GLY 79 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 3d2b h GLY 79 CO 0.00 0.03 0.01 -1.33 0.00 0.00 0.00 176.54 175.26 3d2b h GLY 80 N 0.10 0.18 0.96 4.60 0.00 -1.13 0.16 103.07 107.94 3d2b h GLY 80 Ca 0.10 -0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.32 3d2b h GLY 80 CO -0.01 0.11 0.34 0.00 0.00 0.00 0.00 176.54 176.99 3d2b h ALA 81 N 0.78 0.68 -0.77 3.60 0.00 -1.40 -0.86 119.26 121.29 3d2b h ALA 81 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3d2b h ALA 81 Cb 0.30 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3d2b h ALA 81 CO 0.00 0.09 0.45 -0.91 0.00 0.00 0.00 179.25 178.88 3d2b h ASN 82 N 0.69 0.94 -0.42 0.00 2.35 -1.00 -0.59 115.58 117.55 3d2b h ASN 82 Ca 0.20 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.84 3d2b h ASN 82 Cb -0.04 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 3d2b h ASN 82 CO -0.06 0.75 0.11 0.74 -1.65 0.00 0.00 177.43 177.32 3d2b h THR 83 N 1.06 1.23 -0.38 2.81 2.02 -0.55 -1.51 112.91 117.59 3d2b h THR 83 Ca 0.27 -0.77 -0.07 0.00 0.77 0.00 0.00 66.41 66.62 3d2b h THR 83 Cb -0.01 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 3d2b h THR 83 CO -0.05 0.27 -0.05 -0.07 0.37 0.00 0.00 175.52 176.00 3d2b h LEU 84 N 0.54 0.59 -0.29 2.58 3.38 -0.89 -1.56 115.31 119.67 3d2b h LEU 84 Ca 0.13 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3d2b h LEU 84 Cb 0.30 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3d2b h LEU 84 CO -0.00 0.69 0.04 0.22 0.09 0.00 0.00 178.44 179.49 3d2b h TYR 85 N 0.58 0.51 -0.60 1.13 3.20 -0.85 0.07 116.97 121.01 3d2b h TYR 85 Ca 0.11 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.92 3d2b h TYR 85 Cb 0.44 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 3d2b h TYR 85 CO 0.02 0.57 0.39 -0.92 -1.64 0.00 0.00 178.16 176.59 3d2b h TYR 86 N 0.29 0.74 -0.20 -3.82 3.20 -1.01 0.27 116.97 116.45 3d2b h TYR 86 Ca 0.09 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 3d2b h TYR 86 Cb 0.34 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 3d2b h TYR 86 CO 0.02 0.46 -0.09 0.82 -1.64 0.00 0.00 178.16 177.73 3d2b h ILE 87 N 0.80 1.31 0.09 1.81 2.04 -1.15 -1.19 117.51 121.22 3d2b h ILE 87 Ca 0.22 -1.15 -0.20 0.00 1.00 0.00 0.00 64.86 64.74 3d2b h ILE 87 Cb -0.08 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 3d2b h ILE 87 CO -0.06 0.35 -0.96 0.50 0.00 0.00 0.00 178.15 177.98 3d2b h LYS 88 N 0.11 0.19 0.00 2.37 3.64 -0.89 -2.67 116.57 119.32 3d2b h LYS 88 Ca 0.04 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3d2b h LYS 88 Cb 0.58 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3d2b h LYS 88 CO 0.03 1.16 -1.71 0.66 -2.27 0.00 0.00 179.45 177.32 3d2b n TYR 89 N -4.16 0.06 -0.54 1.91 4.02 0.92 -4.97 117.16 114.39 3d2b n TYR 89 Ca -0.20 0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.71 3d2b n TYR 89 Cb 0.78 -0.42 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 3d2b n TYR 89 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3d2b n LEU 90 N -2.11 0.00 -1.51 7.72 4.77 -0.97 -5.01 117.00 119.89 3d2b n LEU 90 Ca -0.02 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.06 3d2b n LEU 90 Cb 0.51 0.00 0.35 0.00 -2.33 0.00 0.00 43.42 41.95 3d2b n LEU 90 CO 0.45 0.00 0.81 -0.90 -1.33 0.00 0.00 177.39 176.41 3d2b n ASP 91 N 0.00 4.57 0.02 -1.43 5.75 -1.21 -4.51 116.55 119.74 3d2b n ASP 91 Ca 0.00 -2.36 0.11 0.00 -0.01 0.00 0.00 54.79 52.53 3d2b n ASP 91 Cb 0.00 -0.55 0.48 0.00 -1.03 0.00 0.00 41.12 40.02 3d2b n ASP 91 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d2b n GLY 92 N 1.19 -1.34 0.46 6.12 0.00 -0.49 -4.05 105.19 107.08 3d2b n GLY 92 Ca 0.25 -0.06 0.28 0.00 0.00 0.00 0.00 46.02 46.49 3d2b n GLY 92 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3d2b h GLY 93 N 3.87 0.00 -0.13 -0.02 0.00 -1.66 -2.29 103.07 102.84 3d2b h GLY 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3d2b h GLY 93 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.70 3d2b n ASN 94 N -4.15 2.46 0.00 0.19 0.23 -1.26 -1.00 115.26 111.73 3d2b n ASN 94 Ca 0.17 -3.04 0.00 0.00 -0.53 0.00 0.00 54.58 51.19 3d2b n ASN 94 Cb 0.94 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 38.22 3d2b n ASN 94 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3d2b n LYS 95 N -1.32 2.05 -4.62 -3.83 5.02 -0.86 -4.91 118.16 109.68 3d2b n LYS 95 Ca 0.16 -1.20 -0.22 0.00 -2.02 0.00 0.00 58.31 55.03 3d2b n LYS 95 Cb 0.64 -0.90 -0.15 0.00 -0.02 0.00 0.00 35.03 34.61 3d2b n LYS 95 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3d2b s VAL 96 N -0.71 1.12 -0.02 -0.18 1.01 -1.23 -1.40 120.40 118.99 3d2b s VAL 96 Ca 0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 3d2b s VAL 96 Cb 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 3d2b s VAL 96 CO 0.00 0.28 -0.09 0.00 0.00 0.00 0.00 175.10 175.29 3d2b n ALA 97 N 2.62 1.73 -2.79 5.51 0.00 -0.69 -4.69 120.51 122.20 3d2b n ALA 97 Ca -0.15 -0.27 -0.34 0.00 0.00 0.00 0.00 53.44 52.68 3d2b n ALA 97 Cb 0.55 0.07 -0.12 0.00 0.00 0.00 0.00 19.45 19.96 3d2b n ALA 97 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3d2b s ASN 98 N -5.25 4.75 -0.06 0.00 0.01 -1.26 -1.66 114.94 111.46 3d2b s ASN 98 Ca -0.07 -0.07 0.04 0.00 -0.71 0.00 0.00 52.86 52.05 3d2b s ASN 98 Cb 0.01 -1.51 -0.00 0.00 0.41 0.00 0.00 41.25 40.16 3d2b s ASN 98 CO 0.11 0.26 -0.18 -0.69 -1.51 0.00 0.00 177.10 175.09 3d2b s VAL 99 N -0.22 1.54 -0.08 1.60 1.01 -0.24 -0.49 120.40 123.53 3d2b s VAL 99 Ca 0.03 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 3d2b s VAL 99 Cb -0.13 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.95 3d2b s VAL 99 CO 0.02 0.44 -0.04 -0.69 0.00 0.00 0.00 175.10 174.84 3d2b s VAL 100 N 0.16 0.66 -0.01 2.92 1.01 0.28 -1.35 120.40 124.07 3d2b s VAL 100 Ca -0.08 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.85 3d2b s VAL 100 Cb -0.13 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 3d2b s VAL 100 CO 0.04 0.30 -0.08 0.42 0.00 0.00 0.00 175.10 175.77 3d2b s THR 101 N 1.65 3.55 -0.25 3.92 -4.23 -0.50 -0.50 115.64 119.27 3d2b s THR 101 Ca 0.01 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.76 3d2b s THR 101 Cb -0.13 -2.52 0.04 0.00 1.34 0.00 0.00 72.50 71.23 3d2b s THR 101 CO -0.05 0.43 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.60 3d2b s LEU 102 N -1.30 3.22 -1.50 4.79 1.43 0.11 -1.06 118.68 124.37 3d2b s LEU 102 Ca 0.16 -1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 52.02 3d2b s LEU 102 Cb -0.11 -1.60 0.09 0.00 0.03 0.00 0.00 46.19 44.60 3d2b s LEU 102 CO 0.06 -0.15 0.81 0.61 0.23 0.00 0.00 176.35 177.91 3d2b n GLY 103 N 4.56 -0.49 3.76 -3.19 0.00 0.80 -1.61 105.19 109.02 3d2b n GLY 103 Ca -0.16 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3d2b n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d2b s GLY 104 N -3.11 2.99 -0.44 -0.02 0.00 -1.26 -3.17 107.32 102.31 3d2b s GLY 104 Ca 0.59 1.14 -0.04 0.00 0.00 0.00 0.00 44.72 46.41 3d2b s GLY 104 CO 0.73 1.79 2.90 0.00 0.00 0.00 0.00 173.10 178.53 3d2b n ALA 105 N 1.02 6.48 -0.27 3.20 0.00 -0.34 -3.33 120.51 127.27 3d2b n ALA 105 Ca -0.00 -2.91 0.06 0.00 0.00 0.00 0.00 53.44 50.59 3d2b n ALA 105 Cb 0.43 -2.23 0.20 0.00 0.00 0.00 0.00 19.45 17.86 3d2b n ALA 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3d2b h ASN 106 N 3.11 0.40 0.00 0.00 2.35 -1.73 -1.89 115.58 117.82 3d2b h ASN 106 Ca 0.38 0.10 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 3d2b h ASN 106 Cb 0.83 0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.24 3d2b h ASN 106 CO 0.81 0.16 0.00 0.54 -1.65 0.00 0.00 177.43 177.29 3d2b n ARG 107 N -4.94 0.50 0.00 0.81 1.74 -0.17 -1.23 116.66 113.38 3d2b n ARG 107 Ca 0.16 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.38 3d2b n ARG 107 Cb 0.42 -1.39 0.62 0.00 -1.02 0.00 0.00 32.46 31.09 3d2b n ARG 107 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3d2b n LEU 108 N -0.89 0.08 0.02 0.55 4.77 -0.71 -4.20 117.00 116.61 3d2b n LEU 108 Ca 0.09 0.36 -0.00 0.00 -0.03 0.00 0.00 56.01 56.44 3d2b n LEU 108 Cb 0.04 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 40.73 3d2b n LEU 108 CO 0.07 0.02 -0.32 0.41 -1.33 0.00 0.00 177.39 176.24 3d2b n THR 109 N -1.41 0.48 -3.48 -5.08 -1.04 -0.36 -5.08 114.28 98.31 3d2b n THR 109 Ca 0.09 0.15 -0.14 0.00 -2.04 0.00 0.00 64.05 62.11 3d2b n THR 109 Cb 0.31 -1.54 -0.04 0.00 -1.82 0.00 0.00 70.33 67.24 3d2b n THR 109 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3d2b s THR 110 N -2.00 0.01 -2.27 12.58 -1.32 -0.80 -5.01 115.64 116.81 3d2b s THR 110 Ca -0.00 -0.05 0.21 0.00 -1.21 0.00 0.00 61.69 60.64 3d2b s THR 110 Cb 0.00 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.07 3d2b s THR 110 CO 0.00 -0.03 1.10 0.61 -2.21 0.00 0.00 174.62 174.09 3d2b n GLY 111 N 0.15 0.38 3.17 6.08 0.00 -1.26 -3.52 105.19 110.19 3d2b n GLY 111 Ca -0.18 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 3d2b n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d2b s LYS 112 N -2.06 2.08 -0.29 1.61 1.02 -1.26 -0.48 119.74 120.35 3d2b s LYS 112 Ca 0.21 -0.71 -0.28 0.00 0.02 0.00 0.00 55.97 55.21 3d2b s LYS 112 Cb 0.17 -1.77 -0.02 0.00 -0.52 0.00 0.00 37.83 35.69 3d2b s LYS 112 CO 0.40 0.27 1.83 0.00 -0.92 0.00 0.00 175.35 176.94 3d2b s ALA 113 N 0.02 2.92 0.09 5.17 0.00 -0.53 -4.87 121.76 124.56 3d2b s ALA 113 Ca -0.05 0.38 -0.31 0.00 0.00 0.00 0.00 51.96 51.98 3d2b s ALA 113 Cb -0.13 -4.00 -0.10 0.00 0.00 0.00 0.00 23.12 18.90 3d2b s ALA 113 CO 0.03 -2.54 1.87 -2.14 0.00 0.00 0.00 175.76 172.98 3d2b s PRO 114 N 5.60 4.14 0.42 0.00 0.02 -1.26 -4.79 135.00 139.13 3d2b s PRO 114 Ca 0.82 2.59 0.17 0.00 0.02 0.00 0.00 61.00 64.59 3d2b s PRO 114 Cb -0.25 -3.79 0.92 0.00 0.02 0.00 0.00 34.50 31.40 3d2b s PRO 114 CO 0.34 -0.88 1.90 -1.35 -0.33 0.00 0.00 177.00 176.68 3d2b h PRO 115 N 9.29 0.00 0.00 5.54 0.11 -1.92 -3.42 132.00 141.60 3d2b h PRO 115 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3d2b h PRO 115 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3d2b h PRO 115 CO 0.95 0.29 0.00 0.41 -0.21 0.00 0.00 178.00 179.43 3d2b n GLY 116 N -0.55 -1.74 0.04 -0.55 0.00 -1.26 -1.22 105.19 99.91 3d2b n GLY 116 Ca -0.02 -2.13 0.03 0.00 0.00 0.00 0.00 46.02 43.90 3d2b n GLY 116 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3d2b n THR 117 N -0.05 1.25 -3.23 2.61 -2.24 -0.17 -4.96 114.28 107.49 3d2b n THR 117 Ca 0.00 -1.36 -0.43 0.00 -2.27 0.00 0.00 64.05 59.99 3d2b n THR 117 Cb 0.00 0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 68.45 3d2b n THR 117 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d2b s ASP 118 N -1.52 6.22 0.62 3.42 -1.08 -1.25 -4.84 116.67 118.24 3d2b s ASP 118 Ca 0.10 -0.78 0.42 0.00 -0.52 0.00 0.00 52.55 51.76 3d2b s ASP 118 Cb 0.08 -2.26 2.25 0.00 -1.46 0.00 0.00 42.92 41.53 3d2b s ASP 118 CO 0.01 -0.74 2.27 -0.65 0.52 0.00 0.00 175.17 176.59 3d2b h PRO 119 N 8.86 0.00 0.00 4.34 0.11 -1.97 -2.24 132.00 141.10 3d2b h PRO 119 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3d2b h PRO 119 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3d2b h PRO 119 CO 0.88 0.00 -1.08 0.09 -0.21 0.00 0.00 178.00 177.68 3d2b n ASN 120 N -2.97 0.68 -3.68 -2.05 3.02 -1.26 -4.92 115.26 104.09 3d2b n ASN 120 Ca -0.03 0.16 -0.09 0.00 -0.03 0.00 0.00 54.58 54.59 3d2b n ASN 120 Cb 0.07 0.67 -0.10 0.00 -0.61 0.00 0.00 39.78 39.81 3d2b n ASN 120 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3d2b s GLN 121 N -3.33 0.38 0.14 3.52 0.74 -0.84 -5.15 119.66 115.13 3d2b s GLN 121 Ca 0.00 0.92 -0.24 0.00 0.05 0.00 0.00 55.36 56.09 3d2b s GLN 121 Cb 0.11 0.15 -0.08 0.00 1.10 0.00 0.00 33.01 34.30 3d2b s GLN 121 CO 0.80 -0.20 0.75 0.21 -0.55 0.00 0.00 175.29 176.30 3d2b s LYS 122 N 1.96 4.52 0.02 1.67 2.20 -1.26 -4.42 119.74 124.42 3d2b s LYS 122 Ca -0.06 1.10 -0.30 0.00 -0.36 0.00 0.00 55.97 56.34 3d2b s LYS 122 Cb -0.10 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 3d2b s LYS 122 CO -0.13 0.56 1.13 0.42 -0.36 0.00 0.00 175.35 176.97 3d2b s ILE 123 N -1.06 4.33 -0.07 5.43 1.01 -0.36 -4.97 121.20 125.53 3d2b s ILE 123 Ca 0.35 1.67 -0.03 0.00 0.00 0.00 0.00 60.65 62.64 3d2b s ILE 123 Cb -0.22 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 3d2b s ILE 123 CO 0.25 0.10 0.07 -0.76 0.00 0.00 0.00 174.94 174.61 3d2b s LEU 124 N 1.26 3.95 0.08 2.97 1.43 -0.67 -4.63 118.68 123.06 3d2b s LEU 124 Ca 0.56 0.25 0.07 0.00 -1.03 0.00 0.00 54.13 53.97 3d2b s LEU 124 Cb -0.26 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 3d2b s LEU 124 CO 0.27 0.35 -0.18 -0.31 0.23 0.00 0.00 176.35 176.71 3d2b s TYR 125 N -1.04 1.55 -0.11 0.29 1.51 -0.12 -1.08 117.35 118.36 3d2b s TYR 125 Ca 0.17 -0.41 -0.02 0.00 -1.01 0.00 0.00 57.07 55.80 3d2b s TYR 125 Cb -0.12 -0.88 0.04 0.00 -0.11 0.00 0.00 41.96 40.89 3d2b s TYR 125 CO 0.07 0.12 0.01 0.99 -1.11 0.00 0.00 175.55 175.64 3d2b s THR 126 N -1.09 0.40 -0.29 -0.71 2.01 -0.46 -1.47 115.64 114.03 3d2b s THR 126 Ca 0.04 -0.07 -0.05 0.00 0.31 0.00 0.00 61.69 61.92 3d2b s THR 126 Cb -0.09 -0.67 0.02 0.00 0.01 0.00 0.00 72.50 71.77 3d2b s THR 126 CO 0.03 0.11 0.04 -0.55 -0.69 0.00 0.00 174.62 173.56 3d2b s SER 127 N 1.95 4.91 -0.14 3.53 0.15 0.24 -1.42 113.70 122.93 3d2b s SER 127 Ca 0.03 -0.89 -0.06 0.00 0.70 0.00 0.00 55.95 55.73 3d2b s SER 127 Cb -0.14 -1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 62.33 3d2b s SER 127 CO -0.06 -0.21 0.06 -0.63 1.20 0.00 0.00 173.24 173.60 3d2b s ILE 128 N 1.41 4.80 -0.04 6.45 1.01 -0.22 -0.29 121.20 134.32 3d2b s ILE 128 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 60.65 60.43 3d2b s ILE 128 Cb -0.18 -3.11 0.03 0.00 0.01 0.00 0.00 42.46 39.22 3d2b s ILE 128 CO 0.00 0.54 0.38 -0.72 0.00 0.00 0.00 174.94 175.14 3d2b s TYR 129 N -0.28 -0.29 -0.10 3.97 -0.85 -0.77 -0.14 117.35 118.89 3d2b s TYR 129 Ca 0.08 0.51 -0.01 0.00 -0.52 0.00 0.00 57.07 57.14 3d2b s TYR 129 Cb -0.12 0.16 -0.03 0.00 0.38 0.00 0.00 41.96 42.35 3d2b s TYR 129 CO 0.02 -0.41 -0.04 0.45 -1.52 0.00 0.00 175.55 174.05 3d2b s SER 130 N -1.12 4.83 0.39 -0.18 0.15 -1.26 -0.73 113.70 115.78 3d2b s SER 130 Ca -0.12 -0.01 0.28 0.00 0.70 0.00 0.00 55.95 56.80 3d2b s SER 130 Cb -0.04 -1.41 1.34 0.00 -1.71 0.00 0.00 66.02 64.20 3d2b s SER 130 CO 0.05 0.31 1.84 0.77 1.20 0.00 0.00 173.24 177.41 3d2b h SER 131 N 5.63 0.00 -0.69 5.45 4.64 -1.63 -1.70 113.55 125.25 3d2b h SER 131 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3d2b h SER 131 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3d2b h SER 131 CO 0.56 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.99 3d2b n ASP 132 N -2.50 4.29 -4.64 4.97 8.00 -1.26 -4.91 116.55 120.50 3d2b n ASP 132 Ca -0.00 -2.20 -0.43 0.00 0.71 0.00 0.00 54.79 52.87 3d2b n ASP 132 Cb 0.14 -0.52 -0.02 0.00 -0.02 0.00 0.00 41.12 40.69 3d2b n ASP 132 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3d2b s ASP 133 N -0.97 6.77 0.00 -2.24 -1.08 -0.64 -4.55 116.67 113.95 3d2b s ASP 133 Ca 0.49 1.36 0.22 0.00 -0.52 0.00 0.00 52.55 54.10 3d2b s ASP 133 Cb 0.28 -2.54 0.51 0.00 -1.46 0.00 0.00 42.92 39.71 3d2b s ASP 133 CO 0.29 -0.97 1.44 0.23 0.52 0.00 0.00 175.17 176.68 3d2b n MET 134 N 7.07 2.33 -0.08 4.34 2.81 -1.26 -4.48 117.12 127.86 3d2b n MET 134 Ca 0.14 -2.02 -0.16 0.00 -1.81 0.00 0.00 57.70 53.85 3d2b n MET 134 Cb 0.46 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.43 3d2b n MET 134 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3d2b n ILE 135 N 1.22 1.12 -3.91 2.02 2.08 -1.26 -4.94 119.36 115.68 3d2b n ILE 135 Ca 0.19 -0.12 -0.35 0.00 0.56 0.00 0.00 62.75 63.03 3d2b n ILE 135 Cb 0.54 -1.84 -0.14 0.00 -0.75 0.00 0.00 39.64 37.44 3d2b n ILE 135 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3d2b s VAL 136 N -2.41 3.10 0.39 1.39 1.01 -1.26 -5.09 120.40 117.53 3d2b s VAL 136 Ca -0.24 -1.07 -0.27 0.00 0.00 0.00 0.00 61.98 60.40 3d2b s VAL 136 Cb 0.08 -2.64 -0.10 0.00 0.00 0.00 0.00 36.38 33.72 3d2b s VAL 136 CO 0.31 0.09 1.43 -0.04 0.00 0.00 0.00 175.10 176.89 3d2b s MET 137 N 1.33 4.04 0.42 2.72 -1.94 -1.26 -4.82 119.30 119.80 3d2b s MET 137 Ca -0.01 2.45 0.15 0.00 -1.71 0.00 0.00 55.69 56.57 3d2b s MET 137 Cb -0.18 -2.90 1.04 0.00 2.01 0.00 0.00 34.83 34.81 3d2b s MET 137 CO -0.02 -0.54 1.92 -0.91 -0.01 0.00 0.00 175.02 175.46 3d2b h ASN 138 N 2.88 0.40 0.39 3.03 -0.26 -1.89 -0.42 115.58 119.70 3d2b h ASN 138 Ca -0.50 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.26 3d2b h ASN 138 Cb 1.24 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 38.45 3d2b h ASN 138 CO 0.64 0.21 0.00 0.10 -1.06 0.00 0.00 177.43 177.31 3d2b h TYR 139 N 0.42 0.00 0.00 1.19 -0.00 -1.96 -0.47 116.97 116.15 3d2b h TYR 139 Ca 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 59.09 3d2b h TYR 139 Cb 0.82 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.55 3d2b h TYR 139 CO -0.00 0.00 -0.64 -0.07 -0.00 0.00 0.00 178.16 177.45 3d2b h LEU 140 N 0.00 0.00 0.06 0.10 3.38 -1.39 -3.36 115.31 114.10 3d2b h LEU 140 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 3d2b h LEU 140 Cb 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3d2b h LEU 140 CO 0.00 0.03 -1.69 0.28 0.09 0.00 0.00 178.44 177.15 3d2b h SER 141 N 0.00 0.20 -2.93 -0.43 0.02 -1.10 -0.34 113.55 108.97 3d2b h SER 141 Ca -0.01 -0.37 -0.53 0.00 -0.84 0.00 0.00 61.79 60.04 3d2b h SER 141 Cb 1.03 -0.07 0.07 0.00 0.14 0.00 0.00 62.40 63.58 3d2b h SER 141 CO 0.00 1.33 0.93 0.54 -1.14 0.00 0.00 176.83 178.49 3d2b n ARG 142 N -3.28 2.69 -4.61 3.45 1.74 -0.93 -4.74 116.66 110.98 3d2b n ARG 142 Ca -0.19 0.96 -0.33 0.00 -0.77 0.00 0.00 57.85 57.53 3d2b n ARG 142 Cb 1.04 -2.77 -0.16 0.00 -1.02 0.00 0.00 32.46 29.55 3d2b n ARG 142 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3d2b s LEU 143 N 0.35 2.13 0.19 0.55 1.43 -1.26 -4.82 118.68 117.24 3d2b s LEU 143 Ca 0.70 -0.60 -0.32 0.00 -1.03 0.00 0.00 54.13 52.88 3d2b s LEU 143 Cb -0.51 -1.45 -0.11 0.00 0.03 0.00 0.00 46.19 44.15 3d2b s LEU 143 CO 0.41 0.07 1.62 -1.81 0.23 0.00 0.00 176.35 176.87 3d2b s ASP 144 N 0.86 6.50 0.00 2.29 1.01 0.37 -2.04 116.67 125.67 3d2b s ASP 144 Ca -0.06 2.73 0.00 0.00 0.71 0.00 0.00 52.55 55.93 3d2b s ASP 144 Cb -0.15 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.18 3d2b s ASP 144 CO -0.03 -0.88 0.00 0.61 0.21 0.00 0.00 175.17 175.09 3d2b n GLY 145 N 3.67 3.18 3.95 0.21 0.00 -1.26 -1.45 105.19 113.49 3d2b n GLY 145 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 3d2b n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d2b s ALA 146 N -2.28 3.17 -0.47 4.61 0.00 -0.86 -1.84 121.76 124.09 3d2b s ALA 146 Ca 0.00 -1.18 -0.23 0.00 0.00 0.00 0.00 51.96 50.55 3d2b s ALA 146 Cb 0.00 -2.46 0.03 0.00 0.00 0.00 0.00 23.12 20.69 3d2b s ALA 146 CO 0.00 -1.49 0.79 0.50 0.00 0.00 0.00 175.76 175.56 3d2b s ARG 147 N -5.30 3.37 -0.26 0.00 3.52 -0.67 -4.88 118.95 114.73 3d2b s ARG 147 Ca 0.64 -0.19 -0.13 0.00 -0.13 0.00 0.00 55.73 55.92 3d2b s ARG 147 Cb -0.08 -3.97 -0.04 0.00 -1.56 0.00 0.00 34.95 29.30 3d2b s ARG 147 CO 0.46 -1.18 0.27 -0.80 -0.81 0.00 0.00 175.30 173.24 3d2b s ASN 148 N 2.27 6.15 -0.19 -2.12 0.01 -1.26 -0.59 114.94 119.22 3d2b s ASN 148 Ca 0.29 0.16 -0.00 0.00 -0.71 0.00 0.00 52.86 52.60 3d2b s ASN 148 Cb -0.13 -2.16 0.01 0.00 0.41 0.00 0.00 41.25 39.39 3d2b s ASN 148 CO 0.21 -0.09 -0.16 -0.69 -1.51 0.00 0.00 177.10 174.86 3d2b s VAL 149 N 1.75 2.37 -0.04 1.60 1.01 0.61 -4.96 120.40 122.74 3d2b s VAL 149 Ca 0.11 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 3d2b s VAL 149 Cb -0.15 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 3d2b s VAL 149 CO 0.09 0.51 0.51 -1.58 0.00 0.00 0.00 175.10 174.63 3d2b s GLN 150 N 1.33 4.22 0.34 2.72 2.00 -1.26 -1.85 119.66 127.16 3d2b s GLN 150 Ca 0.05 0.55 0.03 0.00 -2.00 0.00 0.00 55.36 54.00 3d2b s GLN 150 Cb -0.13 -3.34 -0.04 0.00 0.80 0.00 0.00 33.01 30.30 3d2b s GLN 150 CO -0.11 0.39 0.12 0.96 -0.50 0.00 0.00 175.29 176.15 3d2b s ILE 151 N -0.18 0.65 0.13 -2.34 -4.36 0.09 -4.95 121.20 110.24 3d2b s ILE 151 Ca 0.27 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.66 3d2b s ILE 151 Cb -0.17 -2.54 -0.04 0.00 1.25 0.00 0.00 42.46 40.96 3d2b s ILE 151 CO 0.14 0.00 0.04 -1.00 0.24 0.00 0.00 174.94 174.36 3d2b s HIS 152 N -3.42 0.90 -1.25 1.37 3.76 -1.26 -1.71 115.29 113.68 3d2b s HIS 152 Ca 0.32 -1.20 0.00 0.00 -0.15 0.00 0.00 55.06 54.03 3d2b s HIS 152 Cb 0.05 -0.51 0.00 0.00 1.11 0.00 0.00 32.58 33.23 3d2b s HIS 152 CO 0.16 -0.47 0.00 0.41 -0.85 0.00 0.00 174.74 173.99 3d2b n GLY 153 N -0.11 1.27 3.10 -2.22 0.00 -1.26 -4.95 105.19 101.01 3d2b n GLY 153 Ca -0.06 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 3d2b n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d2b s VAL 154 N -2.44 1.21 0.75 1.61 1.01 -1.26 -5.05 120.40 116.23 3d2b s VAL 154 Ca 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 3d2b s VAL 154 Cb 0.00 -1.04 0.08 0.00 0.00 0.00 0.00 36.38 35.41 3d2b s VAL 154 CO 0.00 0.35 1.09 -0.83 0.00 0.00 0.00 175.10 175.71 3d2b s GLY 155 N 0.02 1.66 0.10 4.51 0.00 -1.26 -3.75 107.32 108.60 3d2b s GLY 155 Ca -0.02 -0.88 -0.30 0.00 0.00 0.00 0.00 44.72 43.53 3d2b s GLY 155 CO 0.01 -0.42 1.62 0.84 0.00 0.00 0.00 173.10 175.16 3d2b h HIS 156 N -0.81 -0.87 0.00 1.90 2.76 -1.93 -1.83 115.15 114.38 3d2b h HIS 156 Ca -0.45 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 57.68 3d2b h HIS 156 Cb 1.31 0.34 -0.01 0.00 1.55 0.00 0.00 27.41 30.61 3d2b h HIS 156 CO 0.22 -0.45 -0.25 0.52 -1.30 0.00 0.00 177.93 176.67 3d2b h MET 157 N -0.64 0.00 0.00 5.26 2.86 -2.00 -2.80 114.93 117.61 3d2b h MET 157 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3d2b h MET 157 Cb 0.60 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.26 3d2b h MET 157 CO -0.09 0.25 0.00 0.78 1.06 0.00 0.00 176.91 178.91 3d2b h GLY 158 N 1.85 0.00 2.00 8.32 0.00 -1.72 -2.83 103.07 110.68 3d2b h GLY 158 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3d2b h GLY 158 CO 0.03 0.00 -0.03 1.41 0.00 0.00 0.00 176.54 177.95 3d2b h LEU 159 N 0.00 0.00 -0.80 3.11 3.38 -1.12 -0.87 115.31 119.01 3d2b h LEU 159 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d2b h LEU 159 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3d2b h LEU 159 CO 0.00 0.03 0.00 -0.07 0.09 0.00 0.00 178.44 178.49 3d2b h LEU 160 N 0.00 0.00 -4.69 1.67 3.38 -1.72 -3.28 115.31 110.67 3d2b h LEU 160 Ca -0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 3d2b h LEU 160 Cb 0.06 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.40 3d2b h LEU 160 CO 0.00 0.00 -0.99 -1.22 0.09 0.00 0.00 178.44 176.33 3d2b n TYR 161 N -2.65 1.94 -3.93 1.13 4.01 -0.35 -4.10 117.16 113.20 3d2b n TYR 161 Ca 0.02 -2.22 -0.35 0.00 -0.16 0.00 0.00 57.90 55.19 3d2b n TYR 161 Cb 0.32 -0.28 -0.13 0.00 -0.31 0.00 0.00 39.34 38.95 3d2b n TYR 161 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3d2b s SER 162 N -3.69 4.93 0.45 7.72 0.15 -1.07 -4.98 113.70 117.22 3d2b s SER 162 Ca 0.38 -0.21 0.12 0.00 0.70 0.00 0.00 55.95 56.94 3d2b s SER 162 Cb 0.36 -1.86 1.02 0.00 -1.71 0.00 0.00 66.02 63.83 3d2b s SER 162 CO -0.01 0.02 2.04 0.77 1.20 0.00 0.00 173.24 177.27 3d2b h SER 163 N 7.79 0.14 -0.25 5.45 4.64 -1.93 0.23 113.55 129.62 3d2b h SER 163 Ca -0.37 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 60.91 3d2b h SER 163 Cb 1.17 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3d2b h SER 163 CO 0.60 0.19 0.05 -0.61 -0.87 0.00 0.00 176.83 176.20 3d2b h GLN 164 N 0.16 0.41 -0.78 4.77 4.15 -1.98 -1.93 115.11 119.90 3d2b h GLN 164 Ca 0.04 -0.10 -0.05 0.00 0.77 0.00 0.00 58.65 59.31 3d2b h GLN 164 Cb 0.14 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 3d2b h GLN 164 CO 0.00 0.52 0.31 0.28 -1.93 0.00 0.00 178.83 178.01 3d2b h VAL 165 N 0.23 1.26 -0.14 2.39 2.07 -1.57 -2.57 116.25 117.93 3d2b h VAL 165 Ca 0.08 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.82 3d2b h VAL 165 Cb 0.30 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 3d2b h VAL 165 CO 0.00 0.34 -0.19 1.88 0.02 0.00 0.00 177.57 179.61 3d2b h TYR 166 N 1.14 -0.51 -0.94 1.57 0.05 -0.28 0.31 116.97 118.31 3d2b h TYR 166 Ca 0.26 0.03 0.06 0.00 0.05 0.00 0.00 58.73 59.13 3d2b h TYR 166 Cb 0.22 0.25 -0.07 0.00 1.01 0.00 0.00 36.73 38.14 3d2b h TYR 166 CO 0.02 -0.27 0.60 1.03 -1.05 0.00 0.00 178.16 178.49 3d2b h SER 167 N -0.24 0.95 0.21 3.88 0.87 -1.19 -1.56 113.55 116.47 3d2b h SER 167 Ca 0.10 0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.56 3d2b h SER 167 Cb 0.39 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3d2b h SER 167 CO -0.28 0.60 -0.42 -0.07 -0.53 0.00 0.00 176.83 176.14 3d2b h LEU 168 N 1.08 0.29 -0.35 2.23 3.38 -0.95 -2.14 115.31 118.85 3d2b h LEU 168 Ca 0.41 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.20 3d2b h LEU 168 Cb 0.17 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3d2b h LEU 168 CO -0.17 0.68 0.02 0.40 0.09 0.00 0.00 178.44 179.45 3d2b h ILE 169 N 0.23 1.25 -0.23 1.22 2.04 -0.15 -0.95 117.51 120.92 3d2b h ILE 169 Ca 0.02 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 64.98 3d2b h ILE 169 Cb 0.84 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 3d2b h ILE 169 CO 0.07 0.31 0.04 0.50 0.00 0.00 0.00 178.15 179.06 3d2b h LYS 170 N 0.43 0.12 -0.29 2.37 3.64 -1.10 0.28 116.57 122.02 3d2b h LYS 170 Ca 0.10 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.53 3d2b h LYS 170 Cb 0.43 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 3d2b h LYS 170 CO 0.01 0.08 -0.01 0.93 -2.27 0.00 0.00 179.45 178.20 3d2b h GLU 171 N 0.12 0.07 -0.24 1.90 5.08 -1.22 -0.69 114.58 119.61 3d2b h GLU 171 Ca 0.11 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3d2b h GLU 171 Cb 0.11 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3d2b h GLU 171 CO -0.15 0.05 0.16 0.78 -1.00 0.00 0.00 179.01 178.85 3d2b h GLY 172 N 0.08 0.34 2.00 -3.84 0.00 -0.53 0.12 103.07 101.24 3d2b h GLY 172 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3d2b h GLY 172 CO -0.24 0.13 0.00 1.41 0.00 0.00 0.00 176.54 177.84 3d2b h LEU 173 N 0.33 0.00 -2.91 3.11 3.38 -0.09 -1.04 115.31 118.09 3d2b h LEU 173 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3d2b h LEU 173 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3d2b h LEU 173 CO -0.02 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.10 3d2b n ASN 174 N -2.45 4.53 0.00 -0.43 3.02 -0.30 -4.90 115.26 114.74 3d2b n ASN 174 Ca 0.01 -2.56 0.00 0.00 -0.03 0.00 0.00 54.58 51.99 3d2b n ASN 174 Cb 0.19 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.77 3d2b n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d2b n GLY 175 N 0.80 0.53 0.11 7.41 0.00 -0.40 -4.95 105.19 108.69 3d2b n GLY 175 Ca 0.23 -0.75 0.12 0.00 0.00 0.00 0.00 46.02 45.61 3d2b n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d2b n GLY 176 N -2.79 -0.75 3.52 -0.02 0.00 0.34 -4.86 105.19 100.63 3d2b n GLY 176 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 3d2b n GLY 176 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d2b n GLY 177 N 0.92 -2.59 3.22 -0.02 0.00 -1.26 -4.82 105.19 100.65 3d2b n GLY 177 Ca 0.17 -1.53 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 3d2b n GLY 177 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d2b s GLN 178 N -5.52 0.93 -0.30 1.61 -0.21 -0.54 -4.69 119.66 110.94 3d2b s GLN 178 Ca 0.71 -1.15 -0.03 0.00 0.02 0.00 0.00 55.36 54.91 3d2b s GLN 178 Cb -0.06 0.32 0.19 0.00 1.00 0.00 0.00 33.01 34.46 3d2b s GLN 178 CO 0.54 -0.30 0.83 1.21 -2.12 0.00 0.00 175.29 175.45 3d2b s ASN 179 N -2.94 -1.00 -0.13 5.90 3.84 -1.04 -0.94 114.94 118.63 3d2b s ASN 179 Ca 0.13 0.05 0.15 0.00 0.21 0.00 0.00 52.86 53.40 3d2b s ASN 179 Cb 0.05 1.59 0.67 0.00 -0.55 0.00 0.00 41.25 43.02 3d2b s ASN 179 CO -0.05 -0.18 1.56 0.35 -2.79 0.00 0.00 177.10 176.00 3d2b n THR 180 N 5.13 1.84 1.66 -5.21 -2.24 -0.77 -5.01 114.28 109.68 3d2b n THR 180 Ca 0.07 -1.10 0.15 0.00 -2.27 0.00 0.00 64.05 60.90 3d2b n THR 180 Cb 0.56 -0.01 0.66 0.00 -2.10 0.00 0.00 70.33 69.44 3d2b n THR 180 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09