#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d2a s ASN 4 N 0.00 5.38 0.58 0.41 0.01 -1.26 -4.97 114.94 115.09 3d2a s ASN 4 Ca 0.00 1.74 -0.19 0.00 -0.71 0.00 0.00 52.86 53.70 3d2a s ASN 4 Cb 0.00 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 3d2a s ASN 4 CO 0.00 -1.44 1.23 -2.84 -1.51 0.00 0.00 177.10 172.54 3d2a s PRO 5 N -4.62 3.01 -0.15 -0.60 0.02 -1.26 -4.66 135.00 126.75 3d2a s PRO 5 Ca 0.61 1.90 -0.01 0.00 0.02 0.00 0.00 61.00 63.52 3d2a s PRO 5 Cb -0.16 -2.00 -0.02 0.00 0.02 0.00 0.00 34.50 32.35 3d2a s PRO 5 CO 0.48 -1.20 -0.10 0.08 -0.33 0.00 0.00 177.00 175.93 3d2a s VAL 6 N -1.53 3.23 -0.20 3.83 1.01 -0.28 -1.01 120.40 125.46 3d2a s VAL 6 Ca 0.76 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 3d2a s VAL 6 Cb -0.32 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 3d2a s VAL 6 CO 0.36 0.51 -0.01 -0.69 0.00 0.00 0.00 175.10 175.26 3d2a s VAL 7 N 0.49 3.86 -0.17 2.92 1.01 -0.07 -0.06 120.40 128.38 3d2a s VAL 7 Ca -0.08 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 3d2a s VAL 7 Cb -0.15 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3d2a s VAL 7 CO 0.04 0.44 0.03 -0.04 0.00 0.00 0.00 175.10 175.57 3d2a s MET 8 N 0.97 3.84 -0.23 2.72 -1.94 0.12 -1.68 119.30 123.09 3d2a s MET 8 Ca 0.01 -0.39 -0.01 0.00 -1.71 0.00 0.00 55.69 53.59 3d2a s MET 8 Cb -0.14 -3.11 0.02 0.00 2.01 0.00 0.00 34.83 33.61 3d2a s MET 8 CO 0.01 0.30 -0.09 0.08 -0.01 0.00 0.00 175.02 175.31 3d2a s VAL 9 N 0.28 2.72 0.84 -6.03 1.01 -0.09 -1.95 120.40 117.17 3d2a s VAL 9 Ca 0.02 -0.99 -0.12 0.00 0.00 0.00 0.00 61.98 60.89 3d2a s VAL 9 Cb -0.13 -2.34 0.12 0.00 0.00 0.00 0.00 36.38 34.04 3d2a s VAL 9 CO 0.01 0.28 1.20 -1.38 0.00 0.00 0.00 175.10 175.21 3d2a s HIS 10 N 1.32 2.40 0.01 5.22 -3.43 -1.26 -0.96 115.29 118.59 3d2a s HIS 10 Ca 0.01 0.50 0.00 0.00 -0.80 0.00 0.00 55.06 54.78 3d2a s HIS 10 Cb -0.16 -3.65 0.00 0.00 -1.43 0.00 0.00 32.58 27.34 3d2a s HIS 10 CO -0.06 -2.03 0.01 0.41 -2.00 0.00 0.00 174.74 171.07 3d2a n GLY 11 N -3.40 2.22 3.68 -1.38 0.00 -1.19 -3.14 105.19 101.98 3d2a n GLY 11 Ca 0.11 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 3d2a n GLY 11 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3d2a n ILE 12 N -0.90 0.51 -0.95 -0.61 5.41 -1.26 -0.40 119.36 121.16 3d2a n ILE 12 Ca 0.00 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 63.66 3d2a n ILE 12 Cb 0.01 -2.11 0.00 0.00 -0.71 0.00 0.00 39.64 36.83 3d2a n ILE 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3d2a n GLY 13 N 4.32 0.55 0.00 7.39 0.00 -1.26 -5.01 105.19 111.18 3d2a n GLY 13 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3d2a n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d2a n GLY 14 N -2.06 -0.35 3.52 -0.02 0.00 0.46 -5.13 105.19 101.62 3d2a n GLY 14 Ca 0.00 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.13 3d2a n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d2a s ALA 15 N -3.50 -1.55 0.49 4.61 0.00 -1.26 -4.88 121.76 115.67 3d2a s ALA 15 Ca 0.00 0.38 0.21 0.00 0.00 0.00 0.00 51.96 52.55 3d2a s ALA 15 Cb 0.00 0.83 1.26 0.00 0.00 0.00 0.00 23.12 25.21 3d2a s ALA 15 CO 0.00 -0.82 1.99 0.66 0.00 0.00 0.00 175.76 177.59 3d2a h SER 16 N 2.00 0.14 0.42 0.00 4.64 -1.90 -0.27 113.55 118.58 3d2a h SER 16 Ca -0.30 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3d2a h SER 16 Cb 1.29 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3d2a h SER 16 CO 0.34 0.08 0.00 2.22 -0.87 0.00 0.00 176.83 178.60 3d2a n PHE 17 N -4.42 0.00 0.30 4.77 1.16 -1.26 -2.42 117.46 115.58 3d2a n PHE 17 Ca 0.10 0.00 0.17 0.00 -1.87 0.00 0.00 57.45 55.85 3d2a n PHE 17 Cb 0.51 -0.46 0.94 0.00 -1.61 0.00 0.00 39.48 38.86 3d2a n PHE 17 CO 0.00 0.00 0.00 -0.91 -1.87 0.00 0.00 176.76 173.98 3d2a h ASN 18 N 0.00 0.00 -0.64 5.98 2.35 -1.45 -2.56 115.58 119.27 3d2a h ASN 18 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3d2a h ASN 18 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3d2a h ASN 18 CO 0.00 0.04 0.00 0.49 -1.65 0.00 0.00 177.43 176.31 3d2a n PHE 19 N -3.47 1.18 -0.27 1.19 3.72 -1.02 -4.53 117.46 114.25 3d2a n PHE 19 Ca -0.02 -0.51 0.02 0.00 -0.05 0.00 0.00 57.45 56.88 3d2a n PHE 19 Cb 0.15 -0.13 0.15 0.00 -0.94 0.00 0.00 39.48 38.70 3d2a n PHE 19 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3d2a h ALA 20 N 4.13 1.08 -0.40 4.37 0.00 -1.66 -0.01 119.26 126.76 3d2a h ALA 20 Ca 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3d2a h ALA 20 Cb 1.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3d2a h ALA 20 CO 0.12 0.08 0.01 0.78 0.00 0.00 0.00 179.25 180.24 3d2a h GLY 21 N 0.75 0.76 1.05 0.00 0.00 -1.81 -1.55 103.07 102.28 3d2a h GLY 21 Ca 0.37 -0.55 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 3d2a h GLY 21 CO -0.23 0.51 0.06 -2.22 0.00 0.00 0.00 176.54 174.66 3d2a h ILE 22 N 0.54 1.26 -0.30 2.60 2.04 -1.59 -0.98 117.51 121.08 3d2a h ILE 22 Ca 0.12 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 3d2a h ILE 22 Cb 0.46 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3d2a h ILE 22 CO 0.02 0.39 0.09 0.11 0.00 0.00 0.00 178.15 178.76 3d2a h LYS 23 N 0.93 0.47 -0.80 2.37 1.57 -0.93 -0.62 116.57 119.55 3d2a h LYS 23 Ca 0.18 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3d2a h LYS 23 Cb 0.48 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 3d2a h LYS 23 CO 0.02 0.52 0.51 1.03 -0.57 0.00 0.00 179.45 180.96 3d2a h SER 24 N 0.32 0.84 0.18 0.86 0.87 -1.12 -1.06 113.55 114.44 3d2a h SER 24 Ca 0.10 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 3d2a h SER 24 Cb 0.25 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 3d2a h SER 24 CO -0.00 0.58 -0.09 0.22 -0.53 0.00 0.00 176.83 177.01 3d2a h TYR 25 N 0.99 -0.23 -0.89 2.24 3.20 -0.89 -2.55 116.97 118.84 3d2a h TYR 25 Ca 0.32 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.26 3d2a h TYR 25 Cb 0.02 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.30 3d2a h TYR 25 CO -0.03 -0.03 0.58 -0.07 -1.64 0.00 0.00 178.16 176.97 3d2a h LEU 26 N -0.39 0.88 -1.12 2.82 3.38 -0.80 -0.45 115.31 119.63 3d2a h LEU 26 Ca -0.03 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3d2a h LEU 26 Cb 0.30 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3d2a h LEU 26 CO 0.04 0.55 0.11 0.58 0.09 0.00 0.00 178.44 179.81 3d2a h VAL 27 N 0.99 1.21 0.00 1.22 2.07 -1.09 -0.61 116.25 120.03 3d2a h VAL 27 Ca 0.39 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3d2a h VAL 27 Cb 0.24 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3d2a h VAL 27 CO -0.15 0.28 0.00 0.77 0.02 0.00 0.00 177.57 178.49 3d2a h SER 28 N 0.71 0.00 -0.51 0.57 4.64 -0.67 -2.66 113.55 115.62 3d2a h SER 28 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3d2a h SER 28 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3d2a h SER 28 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3d2a n GLN 29 N -2.67 2.57 0.00 4.77 1.13 -0.47 -4.95 117.38 117.77 3d2a n GLN 29 Ca 0.02 -2.40 0.00 0.00 -1.94 0.00 0.00 57.00 52.67 3d2a n GLN 29 Cb 0.29 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 29.12 3d2a n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3d2a n GLY 30 N 1.50 0.87 3.78 1.08 0.00 -1.00 -5.07 105.19 106.35 3d2a n GLY 30 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 3d2a n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3d2a s TRP 31 N -2.00 3.28 -0.10 1.61 0.51 -0.36 -4.99 118.94 116.89 3d2a s TRP 31 Ca 0.00 1.64 -0.28 0.00 -2.12 0.00 0.00 56.10 55.34 3d2a s TRP 31 Cb 0.00 -3.19 -0.02 0.00 -0.81 0.00 0.00 33.47 29.45 3d2a s TRP 31 CO 0.00 -0.72 0.91 0.45 -0.51 0.00 0.00 176.95 177.09 3d2a s SER 32 N -1.41 7.16 0.37 2.95 0.15 -1.26 -4.16 113.70 117.49 3d2a s SER 32 Ca 0.56 1.41 0.07 0.00 0.70 0.00 0.00 55.95 58.69 3d2a s SER 32 Cb -0.25 -2.51 0.78 0.00 -1.71 0.00 0.00 66.02 62.33 3d2a s SER 32 CO 0.31 -0.36 1.95 -0.09 1.20 0.00 0.00 173.24 176.26 3d2a h ARG 33 N 7.06 0.69 0.00 5.44 9.65 -1.94 -0.62 114.38 134.66 3d2a h ARG 33 Ca -0.34 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.50 3d2a h ARG 33 Cb 1.16 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.59 3d2a h ARG 33 CO 0.82 0.46 0.00 -0.40 2.80 0.00 0.00 179.97 183.65 3d2a n ASP 34 N -4.48 0.00 -0.31 -3.80 5.75 -1.26 -2.31 116.55 110.13 3d2a n ASP 34 Ca 0.11 -0.80 0.08 0.00 -0.01 0.00 0.00 54.79 54.17 3d2a n ASP 34 Cb 0.26 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.50 3d2a n ASP 34 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3d2a n LYS 35 N -0.96 2.04 -4.04 0.11 5.02 -0.24 -4.92 118.16 115.16 3d2a n LYS 35 Ca 0.17 -2.48 -0.34 0.00 -2.02 0.00 0.00 58.31 53.64 3d2a n LYS 35 Cb 0.08 -1.51 -0.15 0.00 -0.02 0.00 0.00 35.03 33.42 3d2a n LYS 35 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3d2a s LEU 36 N -2.51 2.43 0.19 -0.35 1.43 -0.98 -1.12 118.68 117.77 3d2a s LEU 36 Ca 0.30 -0.55 0.09 0.00 -1.03 0.00 0.00 54.13 52.94 3d2a s LEU 36 Cb 0.25 -1.58 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 3d2a s LEU 36 CO 0.05 -0.01 -0.19 -0.31 0.23 0.00 0.00 176.35 176.13 3d2a s TYR 37 N 1.36 1.91 -0.03 0.29 1.51 0.91 -4.98 117.35 118.33 3d2a s TYR 37 Ca 0.05 -0.45 -0.01 0.00 -1.01 0.00 0.00 57.07 55.65 3d2a s TYR 37 Cb -0.13 -0.93 0.03 0.00 -0.11 0.00 0.00 41.96 40.81 3d2a s TYR 37 CO -0.09 0.40 0.04 0.00 -1.11 0.00 0.00 175.55 174.78 3d2a s ALA 38 N -2.17 0.16 0.59 3.71 0.00 -1.26 0.10 121.76 122.89 3d2a s ALA 38 Ca 0.19 0.25 -0.07 0.00 0.00 0.00 0.00 51.96 52.33 3d2a s ALA 38 Cb -0.05 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 3d2a s ALA 38 CO 0.08 -0.23 0.92 0.54 0.00 0.00 0.00 175.76 177.07 3d2a s VAL 39 N 1.43 4.02 -0.06 0.00 0.11 -0.83 -4.88 120.40 120.20 3d2a s VAL 39 Ca -0.04 0.21 0.01 0.00 -2.93 0.00 0.00 61.98 59.23 3d2a s VAL 39 Cb -0.13 -3.59 0.02 0.00 -1.53 0.00 0.00 36.38 31.15 3d2a s VAL 39 CO -0.03 -0.65 -0.07 -1.81 -3.33 0.00 0.00 175.10 169.21 3d2a s ASP 40 N -4.26 1.45 -0.12 3.54 1.01 -1.26 -3.95 116.67 113.08 3d2a s ASP 40 Ca 0.53 -0.21 -0.09 0.00 0.71 0.00 0.00 52.55 53.49 3d2a s ASP 40 Cb -0.11 -0.63 -0.04 0.00 1.01 0.00 0.00 42.92 43.15 3d2a s ASP 40 CO 0.47 -0.04 0.19 -0.36 0.21 0.00 0.00 175.17 175.63 3d2a s PHE 41 N 1.00 3.58 -0.09 4.23 0.08 -1.26 -5.00 117.98 120.52 3d2a s PHE 41 Ca -0.09 0.57 0.13 0.00 0.12 0.00 0.00 56.93 57.66 3d2a s PHE 41 Cb -0.14 -2.05 -0.03 0.00 -0.57 0.00 0.00 43.02 40.22 3d2a s PHE 41 CO -0.00 0.63 1.30 0.11 -0.10 0.00 0.00 175.22 177.16 3d2a h TRP 42 N 5.30 0.00 -3.13 0.36 5.08 -2.00 -3.44 115.95 118.13 3d2a h TRP 42 Ca -0.52 0.00 -0.55 0.00 1.08 0.00 0.00 58.89 58.90 3d2a h TRP 42 Cb 1.21 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 27.31 3d2a h TRP 42 CO 0.72 0.64 1.04 0.34 -1.28 0.00 0.00 178.44 179.89 3d2a s ASP 43 N -6.41 6.33 0.25 0.11 2.15 -1.26 -4.88 116.67 112.96 3d2a s ASP 43 Ca 0.02 0.33 0.21 0.00 0.43 0.00 0.00 52.55 53.54 3d2a s ASP 43 Cb 0.08 -2.55 0.97 0.00 -0.30 0.00 0.00 42.92 41.13 3d2a s ASP 43 CO 0.77 -1.54 1.63 0.29 -0.17 0.00 0.00 175.17 176.16 3d2a n LYS 44 N 8.40 0.15 0.00 4.34 4.76 -1.26 -1.54 118.16 133.01 3d2a n LYS 44 Ca 0.12 0.50 0.12 0.00 -2.87 0.00 0.00 58.31 56.17 3d2a n LYS 44 Cb 0.49 -1.86 0.13 0.00 -1.84 0.00 0.00 35.03 31.95 3d2a n LYS 44 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 3d2a n THR 45 N -2.15 0.00 -3.12 -0.18 -2.24 -1.26 -4.10 114.28 101.23 3d2a n THR 45 Ca 0.01 -0.14 -0.22 0.00 -2.27 0.00 0.00 64.05 61.42 3d2a n THR 45 Cb 0.14 0.81 0.02 0.00 -2.10 0.00 0.00 70.33 69.20 3d2a n THR 45 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d2a n GLY 46 N 1.42 -0.51 3.73 3.38 0.00 -0.59 -4.95 105.19 107.68 3d2a n GLY 46 Ca 0.09 0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3d2a n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d2a s THR 47 N -3.09 2.31 0.21 2.61 -4.23 -1.26 -4.84 115.64 107.36 3d2a s THR 47 Ca 0.33 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 60.98 3d2a s THR 47 Cb -0.16 -2.92 0.00 0.00 1.34 0.00 0.00 72.50 70.77 3d2a s THR 47 CO 0.40 -0.06 1.59 0.78 -0.54 0.00 0.00 174.62 176.79 3d2a h ASN 48 N 0.25 0.69 0.64 3.99 2.35 -1.94 -0.94 115.58 120.63 3d2a h ASN 48 Ca -0.49 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 54.94 3d2a h ASN 48 Cb 1.31 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.48 3d2a h ASN 48 CO 0.52 0.98 -0.13 0.10 -1.65 0.00 0.00 177.43 177.25 3d2a h TYR 49 N 0.56 0.00 0.05 1.19 -0.00 -1.99 0.12 116.97 116.89 3d2a h TYR 49 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 58.73 58.41 3d2a h TYR 49 Cb 0.86 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.54 3d2a h TYR 49 CO 0.04 0.13 -2.30 0.09 -0.00 0.00 0.00 178.16 176.12 3d2a n ASN 50 N -3.43 1.98 0.09 0.10 3.02 -1.17 -4.40 115.26 111.45 3d2a n ASN 50 Ca -0.01 -0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.40 3d2a n ASN 50 Cb 0.30 -0.54 -0.08 0.00 -0.61 0.00 0.00 39.78 38.85 3d2a n ASN 50 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3d2a h ASN 51 N 0.03 0.44 -0.24 6.41 -0.26 -1.16 -3.26 115.58 117.53 3d2a h ASN 51 Ca -0.52 -0.40 0.05 0.00 -0.56 0.00 0.00 56.30 54.87 3d2a h ASN 51 Cb 1.96 -0.14 -0.05 0.00 -1.06 0.00 0.00 38.32 39.03 3d2a h ASN 51 CO -0.02 1.25 -0.07 1.23 -1.06 0.00 0.00 177.43 178.75 3d2a h GLY 52 N 1.50 0.16 1.17 2.83 0.00 -0.94 -1.03 103.07 106.75 3d2a h GLY 52 Ca -0.10 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3d2a h GLY 52 CO 0.18 -0.10 0.46 -2.55 0.00 0.00 0.00 176.54 174.53 3d2a h PRO 53 N -0.02 1.09 -0.53 4.80 0.11 -1.77 -0.11 132.00 135.57 3d2a h PRO 53 Ca 0.12 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 3d2a h PRO 53 Cb 0.20 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 3d2a h PRO 53 CO -0.26 0.78 0.27 0.28 -0.21 0.00 0.00 178.00 178.85 3d2a h VAL 54 N 1.11 1.19 -0.63 3.15 2.07 -1.47 -1.36 116.25 120.31 3d2a h VAL 54 Ca 0.29 -0.52 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 3d2a h VAL 54 Cb -0.02 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3d2a h VAL 54 CO -0.05 0.21 0.14 0.25 0.02 0.00 0.00 177.57 178.14 3d2a h LEU 55 N 0.71 0.95 -0.13 2.57 5.85 -0.66 -1.16 115.31 123.44 3d2a h LEU 55 Ca 0.18 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3d2a h LEU 55 Cb 0.09 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3d2a h LEU 55 CO -0.03 0.93 0.08 -1.28 -0.34 0.00 0.00 178.44 177.81 3d2a h SER 56 N 0.96 0.15 -0.45 1.25 0.87 -0.54 0.43 113.55 116.22 3d2a h SER 56 Ca 0.20 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 3d2a h SER 56 Cb 0.37 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 3d2a h SER 56 CO 0.00 0.13 0.14 -0.09 -0.53 0.00 0.00 176.83 176.49 3d2a h ARG 57 N 0.16 0.70 -0.20 2.24 2.43 -1.10 -2.40 114.38 116.21 3d2a h ARG 57 Ca 0.05 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3d2a h ARG 57 Cb 0.00 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3d2a h ARG 57 CO -0.01 0.67 0.12 0.35 -1.51 0.00 0.00 179.97 179.59 3d2a h PHE 58 N 0.59 0.27 -0.50 2.20 3.57 -0.99 -2.27 116.94 119.80 3d2a h PHE 58 Ca 0.14 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3d2a h PHE 58 Cb 0.26 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 3d2a h PHE 58 CO 0.01 0.21 0.27 0.28 -2.23 0.00 0.00 178.31 176.85 3d2a h VAL 59 N 0.25 1.18 -0.78 1.41 2.07 -0.86 -1.84 116.25 117.67 3d2a h VAL 59 Ca 0.07 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.13 3d2a h VAL 59 Cb 0.02 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 3d2a h VAL 59 CO -0.01 0.19 0.52 -0.61 0.02 0.00 0.00 177.57 177.67 3d2a h GLN 60 N 0.67 1.02 -0.58 1.57 5.75 -1.30 -0.48 115.11 121.75 3d2a h GLN 60 Ca 0.18 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.52 3d2a h GLN 60 Cb 0.07 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 3d2a h GLN 60 CO -0.03 0.67 0.01 -0.22 -2.65 0.00 0.00 178.83 176.61 3d2a h LYS 61 N 1.05 1.02 -0.55 1.69 1.63 -1.02 -1.04 116.57 119.35 3d2a h LYS 61 Ca 0.29 -0.32 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 3d2a h LYS 61 Cb -0.11 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.40 3d2a h LYS 61 CO -0.06 1.01 0.24 0.28 -3.45 0.00 0.00 179.45 177.46 3d2a h VAL 62 N 0.91 1.21 -0.68 2.00 2.07 -0.51 -1.13 116.25 120.13 3d2a h VAL 62 Ca 0.17 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3d2a h VAL 62 Cb 0.54 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3d2a h VAL 62 CO 0.03 0.25 0.33 -0.07 0.02 0.00 0.00 177.57 178.12 3d2a h LEU 63 N 0.74 0.89 -0.65 2.57 3.38 -0.86 -0.88 115.31 120.49 3d2a h LEU 63 Ca 0.18 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 3d2a h LEU 63 Cb 0.17 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3d2a h LEU 63 CO -0.02 0.77 -0.00 0.44 0.09 0.00 0.00 178.44 179.72 3d2a h ASP 64 N 0.94 1.03 -0.18 -0.43 3.32 -0.90 0.11 116.42 120.32 3d2a h ASP 64 Ca 0.23 -0.29 -0.19 0.00 0.02 0.00 0.00 57.03 56.81 3d2a h ASP 64 Cb 0.12 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.40 3d2a h ASP 64 CO -0.03 1.08 -0.62 -0.33 -1.72 0.00 0.00 179.24 177.62 3d2a h GLU 65 N 0.96 0.73 0.00 3.56 5.08 -1.00 -3.33 114.58 120.57 3d2a h GLU 65 Ca 0.17 -0.55 -0.14 0.00 -1.00 0.00 0.00 59.36 57.84 3d2a h GLU 65 Cb 0.56 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 3d2a h GLU 65 CO 0.03 1.17 -1.08 1.79 -1.00 0.00 0.00 179.01 179.92 3d2a h THR 66 N 0.44 0.65 0.00 1.13 1.35 -1.17 -3.48 112.91 111.82 3d2a h THR 66 Ca -0.03 -2.09 0.00 0.00 -0.55 0.00 0.00 66.41 63.74 3d2a h THR 66 Cb 1.24 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.84 3d2a h THR 66 CO 0.13 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 3d2a n GLY 67 N 1.33 0.82 3.78 5.82 0.00 0.38 -5.03 105.19 112.29 3d2a n GLY 67 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 3d2a n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d2a s ALA 68 N -3.17 2.51 0.00 4.61 0.00 -1.22 -4.97 121.76 119.52 3d2a s ALA 68 Ca 0.00 0.48 0.05 0.00 0.00 0.00 0.00 51.96 52.49 3d2a s ALA 68 Cb 0.00 -3.29 -0.24 0.00 0.00 0.00 0.00 23.12 19.58 3d2a s ALA 68 CO 0.00 -1.24 0.84 -0.22 0.00 0.00 0.00 175.76 175.14 3d2a h LYS 69 N -0.03 0.10 -3.88 0.00 3.64 -1.96 -3.45 116.57 110.99 3d2a h LYS 69 Ca -0.46 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 58.66 3d2a h LYS 69 Cb 1.24 0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 32.98 3d2a h LYS 69 CO 0.54 0.85 -0.41 0.15 -2.27 0.00 0.00 179.45 178.31 3d2a s LYS 70 N -2.63 0.82 0.33 1.90 1.02 -1.26 -4.74 119.74 115.19 3d2a s LYS 70 Ca -0.06 -1.01 0.09 0.00 0.02 0.00 0.00 55.97 55.01 3d2a s LYS 70 Cb 0.08 0.32 -0.05 0.00 -0.52 0.00 0.00 37.83 37.66 3d2a s LYS 70 CO 0.83 -0.25 0.03 0.14 -0.92 0.00 0.00 175.35 175.18 3d2a s VAL 71 N -3.88 2.79 0.13 3.17 -7.23 -0.33 -4.25 120.40 110.81 3d2a s VAL 71 Ca 0.06 -1.93 0.06 0.00 -1.81 0.00 0.00 61.98 58.36 3d2a s VAL 71 Cb 0.05 -2.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 3d2a s VAL 71 CO -0.10 -0.22 0.02 -1.81 -0.31 0.00 0.00 175.10 172.68 3d2a s ASP 72 N -3.73 5.01 -0.03 4.85 1.01 -0.18 -1.44 116.67 122.16 3d2a s ASP 72 Ca 0.35 -0.25 0.04 0.00 0.71 0.00 0.00 52.55 53.39 3d2a s ASP 72 Cb -0.01 -1.17 -0.00 0.00 1.01 0.00 0.00 42.92 42.74 3d2a s ASP 72 CO 0.20 0.12 -0.15 -0.63 0.21 0.00 0.00 175.17 174.93 3d2a s ILE 73 N -1.54 1.22 -0.19 0.77 1.01 -0.10 -0.89 121.20 121.47 3d2a s ILE 73 Ca 0.27 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.32 3d2a s ILE 73 Cb -0.10 -1.05 0.03 0.00 0.01 0.00 0.00 42.46 41.34 3d2a s ILE 73 CO 0.19 0.36 -0.18 -0.69 0.00 0.00 0.00 174.94 174.62 3d2a s VAL 74 N 0.00 2.10 0.08 2.92 1.01 -0.68 -0.91 120.40 124.93 3d2a s VAL 74 Ca -0.02 -1.05 0.08 0.00 0.00 0.00 0.00 61.98 60.99 3d2a s VAL 74 Cb -0.10 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 3d2a s VAL 74 CO 0.01 0.44 -0.21 0.00 0.00 0.00 0.00 175.10 175.34 3d2a s ALA 75 N 1.26 1.81 -0.01 5.51 0.00 0.00 -0.92 121.76 129.41 3d2a s ALA 75 Ca 0.03 -1.18 0.08 0.00 0.00 0.00 0.00 51.96 50.88 3d2a s ALA 75 Cb -0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 3d2a s ALA 75 CO -0.12 0.38 -0.24 -1.58 0.00 0.00 0.00 175.76 174.20 3d2a s HIS 76 N -1.02 2.18 0.00 0.00 5.65 -0.14 0.11 115.29 122.07 3d2a s HIS 76 Ca 0.07 -0.41 0.00 0.00 0.25 0.00 0.00 55.06 54.97 3d2a s HIS 76 Cb -0.10 -1.40 0.00 0.00 -1.18 0.00 0.00 32.58 29.91 3d2a s HIS 76 CO 0.03 -0.03 0.00 0.45 -0.65 0.00 0.00 174.74 174.55 3d2a n SER 77 N 2.44 0.00 0.30 9.88 2.88 -0.64 -0.09 113.62 128.40 3d2a n SER 77 Ca -0.16 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.58 3d2a n SER 77 Cb 0.52 0.00 1.06 0.00 -0.75 0.00 0.00 64.21 65.03 3d2a n SER 77 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3d2a h MET 78 N 0.00 0.00 -0.21 -1.46 1.85 -1.84 -0.41 114.93 112.85 3d2a h MET 78 Ca 0.00 0.00 0.05 0.00 -0.61 0.00 0.00 59.70 59.14 3d2a h MET 78 Cb 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 3d2a h MET 78 CO 0.00 0.00 0.15 0.78 -0.40 0.00 0.00 176.91 177.44 3d2a h GLY 79 N 0.16 0.08 0.93 1.39 0.00 -0.44 -0.93 103.07 104.27 3d2a h GLY 79 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 3d2a h GLY 79 CO 0.00 0.02 -0.07 -1.33 0.00 0.00 0.00 176.54 175.16 3d2a h GLY 80 N 0.07 0.73 0.96 4.60 0.00 -1.22 -0.46 103.07 107.75 3d2a h GLY 80 Ca 0.10 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 3d2a h GLY 80 CO -0.01 0.54 0.20 0.00 0.00 0.00 0.00 176.54 177.27 3d2a h ALA 81 N 0.82 0.60 -0.80 3.60 0.00 -1.40 -1.39 119.26 120.70 3d2a h ALA 81 Ca 0.09 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3d2a h ALA 81 Cb 0.57 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3d2a h ALA 81 CO 0.03 0.19 0.52 -0.91 0.00 0.00 0.00 179.25 179.09 3d2a h ASN 82 N 0.61 0.88 -0.24 0.00 2.35 -1.06 -1.20 115.58 116.93 3d2a h ASN 82 Ca 0.16 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.87 3d2a h ASN 82 Cb 0.17 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3d2a h ASN 82 CO -0.02 0.63 0.08 0.74 -1.65 0.00 0.00 177.43 177.21 3d2a h THR 83 N 1.04 1.19 -0.50 2.81 2.02 -0.77 -1.02 112.91 117.68 3d2a h THR 83 Ca 0.31 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 3d2a h THR 83 Cb -0.06 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 3d2a h THR 83 CO -0.09 0.19 0.21 -0.07 0.37 0.00 0.00 175.52 176.14 3d2a h LEU 84 N 0.21 0.65 -0.34 2.58 3.38 -0.97 -1.54 115.31 119.28 3d2a h LEU 84 Ca 0.08 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3d2a h LEU 84 Cb 0.23 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3d2a h LEU 84 CO -0.00 0.58 -0.10 0.22 0.09 0.00 0.00 178.44 179.23 3d2a h TYR 85 N 0.71 0.76 -0.52 1.13 3.20 -0.99 0.19 116.97 121.45 3d2a h TYR 85 Ca 0.17 -0.17 0.04 0.00 3.14 0.00 0.00 58.73 61.92 3d2a h TYR 85 Cb 0.13 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 3d2a h TYR 85 CO 0.01 0.84 0.28 -0.92 -1.64 0.00 0.00 178.16 176.73 3d2a h TYR 86 N 0.45 0.51 -0.17 -3.82 3.20 -0.71 0.29 116.97 116.72 3d2a h TYR 86 Ca 0.08 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.88 3d2a h TYR 86 Cb 0.61 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 3d2a h TYR 86 CO 0.05 0.26 -0.27 0.82 -1.64 0.00 0.00 178.16 177.39 3d2a h ILE 87 N 0.54 1.35 0.14 1.81 2.04 -1.12 -1.90 117.51 120.37 3d2a h ILE 87 Ca 0.23 -1.49 -0.24 0.00 1.00 0.00 0.00 64.86 64.35 3d2a h ILE 87 Cb 0.11 1.91 0.01 0.00 -0.74 0.00 0.00 36.82 38.12 3d2a h ILE 87 CO -0.14 0.45 -1.14 0.50 0.00 0.00 0.00 178.15 177.82 3d2a h LYS 88 N 0.11 0.30 0.00 2.37 3.64 -0.49 -3.07 116.57 119.43 3d2a h LYS 88 Ca 0.01 -0.51 -0.32 0.00 -1.27 0.00 0.00 60.65 58.56 3d2a h LYS 88 Cb 0.84 0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 32.80 3d2a h LYS 88 CO 0.06 1.25 -1.98 0.09 -2.27 0.00 0.00 179.45 176.60 3d2a n ASN 89 N -4.00 0.56 0.00 4.20 3.02 0.98 -4.99 115.26 115.03 3d2a n ASN 89 Ca -0.19 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 3d2a n ASN 89 Cb 0.88 0.33 0.00 0.00 -0.61 0.00 0.00 39.78 40.39 3d2a n ASN 89 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3d2a n LEU 90 N -2.94 0.00 -1.35 3.41 4.77 -0.99 -5.03 117.00 114.87 3d2a n LEU 90 Ca -0.23 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.85 3d2a n LEU 90 Cb 1.09 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 42.50 3d2a n LEU 90 CO 0.44 0.00 0.77 -0.90 -1.33 0.00 0.00 177.39 176.38 3d2a n ASP 91 N 0.00 4.08 0.00 -1.43 5.75 -1.20 -4.55 116.55 119.20 3d2a n ASP 91 Ca 0.00 -2.12 0.11 0.00 -0.01 0.00 0.00 54.79 52.77 3d2a n ASP 91 Cb 0.00 -0.49 0.53 0.00 -1.03 0.00 0.00 41.12 40.12 3d2a n ASP 91 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d2a n GLY 92 N 1.42 -1.12 0.46 6.12 0.00 -0.75 -4.11 105.19 107.20 3d2a n GLY 92 Ca 0.24 -0.09 0.28 0.00 0.00 0.00 0.00 46.02 46.44 3d2a n GLY 92 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3d2a h GLY 93 N 3.74 0.00 -0.36 -0.02 0.00 -1.75 -2.16 103.07 102.52 3d2a h GLY 93 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3d2a h GLY 93 CO 0.00 0.00 -0.18 1.16 0.00 0.00 0.00 176.54 177.52 3d2a n ASN 94 N -4.13 1.55 -0.02 0.19 6.94 -1.26 -0.40 115.26 118.13 3d2a n ASN 94 Ca 0.17 -2.73 0.00 0.00 -0.02 0.00 0.00 54.58 52.01 3d2a n ASN 94 Cb 0.94 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 3d2a n ASN 94 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3d2a n LYS 95 N -0.95 0.23 -4.89 -3.83 5.02 -0.82 -4.87 118.16 108.06 3d2a n LYS 95 Ca 0.11 -0.83 -0.26 0.00 -2.02 0.00 0.00 58.31 55.31 3d2a n LYS 95 Cb 0.66 -1.01 -0.16 0.00 -0.02 0.00 0.00 35.03 34.50 3d2a n LYS 95 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3d2a s VAL 96 N -0.33 1.49 -0.08 -0.18 1.01 -1.18 -1.19 120.40 119.94 3d2a s VAL 96 Ca 0.01 -0.77 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 3d2a s VAL 96 Cb 0.00 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 3d2a s VAL 96 CO 0.01 0.42 -0.19 0.00 0.00 0.00 0.00 175.10 175.34 3d2a n ALA 97 N 2.91 1.17 -2.46 5.51 0.00 -0.52 -4.75 120.51 122.37 3d2a n ALA 97 Ca -0.17 -0.50 -0.32 0.00 0.00 0.00 0.00 53.44 52.45 3d2a n ALA 97 Cb 0.53 0.06 -0.14 0.00 0.00 0.00 0.00 19.45 19.90 3d2a n ALA 97 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3d2a s ASN 98 N -5.43 3.66 -0.04 0.00 0.01 -1.26 -1.70 114.94 110.18 3d2a s ASN 98 Ca -0.16 -0.31 0.04 0.00 -0.71 0.00 0.00 52.86 51.72 3d2a s ASN 98 Cb 0.02 -0.71 0.00 0.00 0.41 0.00 0.00 41.25 40.97 3d2a s ASN 98 CO 0.23 0.32 -0.14 -0.69 -1.51 0.00 0.00 177.10 175.32 3d2a s VAL 99 N -0.62 1.20 -0.09 1.60 1.01 0.23 -0.93 120.40 122.80 3d2a s VAL 99 Ca 0.09 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 3d2a s VAL 99 Cb -0.11 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.25 3d2a s VAL 99 CO 0.00 0.35 -0.06 -0.69 0.00 0.00 0.00 175.10 174.71 3d2a s VAL 100 N 0.15 0.82 0.01 2.92 1.01 -0.09 -1.11 120.40 124.13 3d2a s VAL 100 Ca -0.05 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.78 3d2a s VAL 100 Cb -0.11 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 3d2a s VAL 100 CO 0.02 0.33 -0.03 0.42 0.00 0.00 0.00 175.10 175.83 3d2a s THR 101 N 1.63 3.89 -0.26 3.92 -4.23 -0.24 -0.81 115.64 119.53 3d2a s THR 101 Ca 0.02 -0.74 0.02 0.00 -1.18 0.00 0.00 61.69 59.81 3d2a s THR 101 Cb -0.13 -2.73 0.06 0.00 1.34 0.00 0.00 72.50 71.04 3d2a s THR 101 CO -0.06 0.35 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.51 3d2a s LEU 102 N -1.60 3.41 -1.51 4.79 1.43 0.12 -1.02 118.68 124.31 3d2a s LEU 102 Ca 0.19 -1.33 -0.13 0.00 -1.03 0.00 0.00 54.13 51.83 3d2a s LEU 102 Cb -0.11 -1.56 0.08 0.00 0.03 0.00 0.00 46.19 44.62 3d2a s LEU 102 CO 0.10 -0.18 0.92 0.61 0.23 0.00 0.00 176.35 178.03 3d2a n GLY 103 N 4.46 -0.50 3.76 -3.19 0.00 0.33 -1.61 105.19 108.44 3d2a n GLY 103 Ca -0.14 0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3d2a n GLY 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d2a s GLY 104 N -3.20 3.02 -0.50 -0.02 0.00 -1.26 -3.19 107.32 102.17 3d2a s GLY 104 Ca 0.62 1.09 -0.05 0.00 0.00 0.00 0.00 44.72 46.38 3d2a s GLY 104 CO 0.76 1.70 2.90 0.00 0.00 0.00 0.00 173.10 178.46 3d2a n ALA 105 N 0.90 6.52 -0.23 3.20 0.00 -0.58 -3.08 120.51 127.24 3d2a n ALA 105 Ca -0.00 -2.95 0.03 0.00 0.00 0.00 0.00 53.44 50.51 3d2a n ALA 105 Cb 0.43 -2.29 0.15 0.00 0.00 0.00 0.00 19.45 17.74 3d2a n ALA 105 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3d2a h ASN 106 N 3.24 0.25 0.15 0.00 2.35 -1.66 -2.44 115.58 117.47 3d2a h ASN 106 Ca 0.40 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 56.25 3d2a h ASN 106 Cb 0.81 0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.25 3d2a h ASN 106 CO 0.85 0.12 0.00 0.54 -1.65 0.00 0.00 177.43 177.29 3d2a n ARG 107 N -5.00 0.25 0.08 0.81 1.74 -0.20 -1.51 116.66 112.82 3d2a n ARG 107 Ca 0.12 0.11 0.11 0.00 -0.77 0.00 0.00 57.85 57.42 3d2a n ARG 107 Cb 0.34 -1.50 0.45 0.00 -1.02 0.00 0.00 32.46 30.73 3d2a n ARG 107 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3d2a n LEU 108 N -1.19 0.47 -0.03 0.55 4.77 -0.92 -3.85 117.00 116.80 3d2a n LEU 108 Ca 0.07 0.58 -0.08 0.00 -0.03 0.00 0.00 56.01 56.56 3d2a n LEU 108 Cb 0.08 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 3d2a n LEU 108 CO 0.08 -0.32 -0.53 0.41 -1.33 0.00 0.00 177.39 175.70 3d2a n THR 109 N -1.99 1.16 -3.48 -5.08 -1.04 -0.57 -5.11 114.28 98.18 3d2a n THR 109 Ca 0.04 0.13 -0.13 0.00 -2.04 0.00 0.00 64.05 62.05 3d2a n THR 109 Cb 0.28 -1.87 -0.03 0.00 -1.82 0.00 0.00 70.33 66.90 3d2a n THR 109 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3d2a s THR 110 N -2.37 0.01 -1.98 12.58 -1.32 -0.99 -5.03 115.64 116.54 3d2a s THR 110 Ca -0.15 -0.09 0.23 0.00 -1.21 0.00 0.00 61.69 60.47 3d2a s THR 110 Cb 0.04 -1.01 -0.01 0.00 -1.51 0.00 0.00 72.50 70.01 3d2a s THR 110 CO 0.22 -0.05 1.10 0.61 -2.21 0.00 0.00 174.62 174.29 3d2a n GLY 111 N -0.04 -0.04 3.26 6.08 0.00 -1.26 -3.52 105.19 109.67 3d2a n GLY 111 Ca -0.17 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 3d2a n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d2a s LYS 112 N -2.51 2.89 -0.11 1.61 1.02 -1.26 -0.69 119.74 120.69 3d2a s LYS 112 Ca 0.18 -0.86 -0.29 0.00 0.02 0.00 0.00 55.97 55.02 3d2a s LYS 112 Cb 0.18 -2.29 -0.06 0.00 -0.52 0.00 0.00 37.83 35.15 3d2a s LYS 112 CO 0.59 0.27 1.88 0.00 -0.92 0.00 0.00 175.35 177.17 3d2a s ALA 113 N 0.13 3.29 0.04 5.17 0.00 -0.56 -4.91 121.76 124.93 3d2a s ALA 113 Ca -0.12 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 52.43 3d2a s ALA 113 Cb -0.16 -3.89 -0.08 0.00 0.00 0.00 0.00 23.12 18.99 3d2a s ALA 113 CO 0.07 -1.96 1.76 -2.14 0.00 0.00 0.00 175.76 173.48 3d2a s PRO 114 N 4.93 4.17 0.45 0.00 0.02 -1.26 -4.81 135.00 138.50 3d2a s PRO 114 Ca 0.84 2.41 0.21 0.00 0.02 0.00 0.00 61.00 64.49 3d2a s PRO 114 Cb -0.34 -3.81 1.09 0.00 0.02 0.00 0.00 34.50 31.46 3d2a s PRO 114 CO 0.35 -0.83 1.94 -1.35 -0.33 0.00 0.00 177.00 176.78 3d2a h PRO 115 N 9.15 0.00 0.00 5.54 0.11 -1.91 -3.40 132.00 141.49 3d2a h PRO 115 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3d2a h PRO 115 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3d2a h PRO 115 CO 0.94 0.23 0.00 0.41 -0.21 0.00 0.00 178.00 179.37 3d2a n GLY 116 N -0.49 -2.03 0.14 -0.55 0.00 -1.26 -0.60 105.19 100.40 3d2a n GLY 116 Ca -0.02 -1.91 0.01 0.00 0.00 0.00 0.00 46.02 44.11 3d2a n GLY 116 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3d2a n THR 117 N -0.03 0.72 -2.50 2.61 -2.24 0.47 -4.97 114.28 108.33 3d2a n THR 117 Ca 0.00 -0.86 -0.43 0.00 -2.27 0.00 0.00 64.05 60.49 3d2a n THR 117 Cb 0.00 0.65 -0.02 0.00 -2.10 0.00 0.00 70.33 68.86 3d2a n THR 117 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3d2a s ASP 118 N -0.78 6.92 0.50 3.42 -1.08 -1.25 -4.89 116.67 119.51 3d2a s ASP 118 Ca 0.05 1.45 0.34 0.00 -0.52 0.00 0.00 52.55 53.86 3d2a s ASP 118 Cb 0.03 -2.54 1.72 0.00 -1.46 0.00 0.00 42.92 40.67 3d2a s ASP 118 CO 0.04 -0.82 2.02 -0.65 0.52 0.00 0.00 175.17 176.28 3d2a h PRO 119 N 8.23 0.00 0.00 4.34 0.11 -1.98 -3.04 132.00 139.67 3d2a h PRO 119 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3d2a h PRO 119 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3d2a h PRO 119 CO 0.99 0.00 -1.18 0.09 -0.21 0.00 0.00 178.00 177.69 3d2a n ASN 120 N -2.74 0.98 -3.70 -2.05 3.02 -1.26 -4.99 115.26 104.53 3d2a n ASN 120 Ca -0.01 -0.49 -0.10 0.00 -0.03 0.00 0.00 54.58 53.94 3d2a n ASN 120 Cb 0.12 1.33 -0.11 0.00 -0.61 0.00 0.00 39.78 40.51 3d2a n ASN 120 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3d2a s GLN 121 N -2.77 0.39 0.26 3.52 0.74 -1.15 -5.15 119.66 115.51 3d2a s GLN 121 Ca 0.01 0.79 -0.19 0.00 0.05 0.00 0.00 55.36 56.01 3d2a s GLN 121 Cb 0.11 -0.02 -0.09 0.00 1.10 0.00 0.00 33.01 34.12 3d2a s GLN 121 CO 0.66 -0.16 0.75 0.21 -0.55 0.00 0.00 175.29 176.20 3d2a s LYS 122 N 1.39 4.23 0.16 1.67 2.20 -1.26 -4.32 119.74 123.80 3d2a s LYS 122 Ca -0.09 0.88 -0.30 0.00 -0.36 0.00 0.00 55.97 56.09 3d2a s LYS 122 Cb -0.08 -2.77 -0.08 0.00 -1.51 0.00 0.00 37.83 33.39 3d2a s LYS 122 CO -0.13 0.33 1.31 0.42 -0.36 0.00 0.00 175.35 176.93 3d2a s ILE 123 N -1.64 3.35 -0.14 5.43 1.01 0.23 -5.00 121.20 124.44 3d2a s ILE 123 Ca 0.46 1.05 -0.07 0.00 0.00 0.00 0.00 60.65 62.09 3d2a s ILE 123 Cb -0.15 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 3d2a s ILE 123 CO 0.20 0.13 0.13 -0.76 0.00 0.00 0.00 174.94 174.64 3d2a s LEU 124 N 0.38 4.30 0.10 2.97 1.43 -0.69 -4.65 118.68 122.52 3d2a s LEU 124 Ca 0.59 0.40 0.09 0.00 -1.03 0.00 0.00 54.13 54.17 3d2a s LEU 124 Cb -0.36 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 3d2a s LEU 124 CO 0.35 0.36 -0.22 -0.31 0.23 0.00 0.00 176.35 176.75 3d2a s TYR 125 N -0.70 1.92 -0.10 0.29 1.51 -0.31 -0.60 117.35 119.35 3d2a s TYR 125 Ca 0.13 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.77 3d2a s TYR 125 Cb -0.12 -1.07 0.04 0.00 -0.11 0.00 0.00 41.96 40.70 3d2a s TYR 125 CO 0.03 0.21 0.03 0.99 -1.11 0.00 0.00 175.55 175.69 3d2a s THR 126 N -1.07 0.28 -0.31 -0.71 2.01 -0.26 -1.26 115.64 114.31 3d2a s THR 126 Ca 0.08 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.05 3d2a s THR 126 Cb -0.10 -0.56 0.02 0.00 0.01 0.00 0.00 72.50 71.88 3d2a s THR 126 CO 0.04 0.12 0.07 -0.55 -0.69 0.00 0.00 174.62 173.61 3d2a s SER 127 N 2.00 5.12 -0.16 3.53 0.15 0.11 -1.08 113.70 123.37 3d2a s SER 127 Ca 0.04 -0.91 -0.07 0.00 0.70 0.00 0.00 55.95 55.71 3d2a s SER 127 Cb -0.13 -1.85 -0.04 0.00 -1.71 0.00 0.00 66.02 62.29 3d2a s SER 127 CO -0.06 -0.24 0.07 -0.63 1.20 0.00 0.00 173.24 173.58 3d2a s ILE 128 N 1.44 4.85 -0.02 6.45 1.01 -0.19 -0.57 121.20 134.17 3d2a s ILE 128 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 60.65 60.49 3d2a s ILE 128 Cb -0.18 -3.16 0.02 0.00 0.01 0.00 0.00 42.46 39.16 3d2a s ILE 128 CO 0.02 0.50 0.31 -0.72 0.00 0.00 0.00 174.94 175.05 3d2a s TYR 129 N -0.02 -0.19 -0.09 3.97 -0.85 -0.72 -0.52 117.35 118.94 3d2a s TYR 129 Ca 0.06 0.29 -0.01 0.00 -0.52 0.00 0.00 57.07 56.88 3d2a s TYR 129 Cb -0.12 0.10 -0.03 0.00 0.38 0.00 0.00 41.96 42.29 3d2a s TYR 129 CO 0.01 -0.39 -0.02 0.45 -1.52 0.00 0.00 175.55 174.08 3d2a s SER 130 N -1.29 5.00 0.12 -0.18 0.15 -1.26 -0.59 113.70 115.65 3d2a s SER 130 Ca -0.13 0.05 0.14 0.00 0.70 0.00 0.00 55.95 56.71 3d2a s SER 130 Cb -0.05 -1.45 0.65 0.00 -1.71 0.00 0.00 66.02 63.46 3d2a s SER 130 CO 0.04 0.33 1.45 -1.54 1.20 0.00 0.00 173.24 174.72 3d2a n SER 131 N 2.43 0.26 -1.35 5.45 3.41 -0.56 -1.57 113.62 121.69 3d2a n SER 131 Ca -0.18 0.58 0.09 0.00 -0.26 0.00 0.00 58.87 59.11 3d2a n SER 131 Cb 0.53 -0.63 0.32 0.00 -0.26 0.00 0.00 64.21 64.17 3d2a n SER 131 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3d2a n ASP 132 N -1.81 4.26 -4.63 4.04 8.00 -1.26 -4.92 116.55 120.23 3d2a n ASP 132 Ca 0.02 -2.31 -0.43 0.00 0.71 0.00 0.00 54.79 52.78 3d2a n ASP 132 Cb 0.12 -0.51 -0.02 0.00 -0.02 0.00 0.00 41.12 40.69 3d2a n ASP 132 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3d2a s ASP 133 N -1.02 6.65 0.00 -2.24 -1.08 -0.61 -4.57 116.67 113.80 3d2a s ASP 133 Ca 0.46 1.18 0.23 0.00 -0.52 0.00 0.00 52.55 53.90 3d2a s ASP 133 Cb 0.28 -2.54 0.48 0.00 -1.46 0.00 0.00 42.92 39.68 3d2a s ASP 133 CO 0.25 -1.11 1.43 0.23 0.52 0.00 0.00 175.17 176.49 3d2a n MET 134 N 7.37 2.41 -0.09 4.34 2.81 -1.26 -4.48 117.12 128.22 3d2a n MET 134 Ca 0.15 -2.13 -0.19 0.00 -1.81 0.00 0.00 57.70 53.71 3d2a n MET 134 Cb 0.47 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.41 3d2a n MET 134 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3d2a n ILE 135 N 1.33 1.19 -3.95 2.02 2.08 -1.26 -4.93 119.36 115.84 3d2a n ILE 135 Ca 0.19 -0.20 -0.34 0.00 0.56 0.00 0.00 62.75 62.96 3d2a n ILE 135 Cb 0.57 -1.85 -0.14 0.00 -0.75 0.00 0.00 39.64 37.46 3d2a n ILE 135 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3d2a s VAL 136 N -2.43 2.89 0.44 1.39 1.01 -1.26 -5.09 120.40 117.35 3d2a s VAL 136 Ca -0.28 -1.05 -0.25 0.00 0.00 0.00 0.00 61.98 60.40 3d2a s VAL 136 Cb 0.10 -2.48 -0.08 0.00 0.00 0.00 0.00 36.38 33.91 3d2a s VAL 136 CO 0.36 0.17 1.39 -0.04 0.00 0.00 0.00 175.10 176.98 3d2a s MET 137 N 1.32 3.73 0.44 2.72 -1.94 -1.26 -4.82 119.30 119.49 3d2a s MET 137 Ca -0.00 2.34 0.15 0.00 -1.71 0.00 0.00 55.69 56.46 3d2a s MET 137 Cb -0.17 -2.66 1.05 0.00 2.01 0.00 0.00 34.83 35.07 3d2a s MET 137 CO -0.04 -0.76 1.97 -0.91 -0.01 0.00 0.00 175.02 175.27 3d2a h ASN 138 N 2.36 0.35 0.17 3.03 -0.26 -1.88 -1.33 115.58 118.02 3d2a h ASN 138 Ca -0.51 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.23 3d2a h ASN 138 Cb 1.26 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 38.46 3d2a h ASN 138 CO 0.61 0.20 -0.07 0.10 -1.06 0.00 0.00 177.43 177.22 3d2a h TYR 139 N 0.38 0.00 0.00 1.19 -0.00 -1.94 -0.81 116.97 115.79 3d2a h TYR 139 Ca 0.29 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.92 3d2a h TYR 139 Cb 0.62 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.33 3d2a h TYR 139 CO -0.00 0.07 -0.47 -0.07 -0.00 0.00 0.00 178.16 177.68 3d2a h LEU 140 N 0.00 0.00 0.13 0.10 3.38 -1.55 -3.31 115.31 114.05 3d2a h LEU 140 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 3d2a h LEU 140 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3d2a h LEU 140 CO 0.01 0.47 -1.63 0.28 0.09 0.00 0.00 178.44 177.67 3d2a h SER 141 N 0.00 0.44 -2.28 -0.43 0.02 -1.11 -0.34 113.55 109.84 3d2a h SER 141 Ca -0.00 -0.65 -0.57 0.00 -0.84 0.00 0.00 61.79 59.73 3d2a h SER 141 Cb 1.26 -0.14 0.04 0.00 0.14 0.00 0.00 62.40 63.70 3d2a h SER 141 CO 0.06 1.54 0.99 0.54 -1.14 0.00 0.00 176.83 178.82 3d2a n ARG 142 N -3.47 2.38 -4.19 3.45 1.74 -0.67 -4.75 116.66 111.14 3d2a n ARG 142 Ca -0.20 0.86 -0.33 0.00 -0.77 0.00 0.00 57.85 57.41 3d2a n ARG 142 Cb 1.05 -2.70 -0.15 0.00 -1.02 0.00 0.00 32.46 29.64 3d2a n ARG 142 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3d2a s LEU 143 N 2.38 2.38 0.11 0.55 1.43 -1.26 -4.81 118.68 119.46 3d2a s LEU 143 Ca 0.84 -0.55 -0.32 0.00 -1.03 0.00 0.00 54.13 53.06 3d2a s LEU 143 Cb -0.62 -1.56 -0.12 0.00 0.03 0.00 0.00 46.19 43.93 3d2a s LEU 143 CO 0.41 0.02 1.78 0.47 0.23 0.00 0.00 176.35 179.27 3d2a n ASP 144 N 4.51 3.79 0.00 2.29 8.00 0.13 -1.82 116.55 133.46 3d2a n ASP 144 Ca -0.20 1.01 0.00 0.00 0.71 0.00 0.00 54.79 56.31 3d2a n ASP 144 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 3d2a n ASP 144 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d2a n GLY 145 N 4.07 1.72 3.98 0.44 0.00 -1.26 -1.49 105.19 112.65 3d2a n GLY 145 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 3d2a n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d2a s ALA 146 N -2.36 3.94 -0.67 4.61 0.00 -0.75 -1.57 121.76 124.97 3d2a s ALA 146 Ca 0.00 -1.45 -0.24 0.00 0.00 0.00 0.00 51.96 50.27 3d2a s ALA 146 Cb 0.00 -2.01 0.06 0.00 0.00 0.00 0.00 23.12 21.17 3d2a s ALA 146 CO 0.00 -0.85 1.04 0.50 0.00 0.00 0.00 175.76 176.45 3d2a s ARG 147 N -4.80 3.16 -0.19 0.00 3.52 -0.58 -4.87 118.95 115.19 3d2a s ARG 147 Ca 0.59 -0.60 -0.19 0.00 -0.13 0.00 0.00 55.73 55.39 3d2a s ARG 147 Cb -0.09 -4.19 -0.03 0.00 -1.56 0.00 0.00 34.95 29.08 3d2a s ARG 147 CO 0.39 -1.86 0.57 -0.80 -0.81 0.00 0.00 175.30 172.79 3d2a s ASN 148 N 3.59 6.62 -0.18 -2.12 0.01 -1.26 -0.71 114.94 120.88 3d2a s ASN 148 Ca 0.27 0.75 0.01 0.00 -0.71 0.00 0.00 52.86 53.17 3d2a s ASN 148 Cb -0.14 -2.32 0.04 0.00 0.41 0.00 0.00 41.25 39.24 3d2a s ASN 148 CO 0.13 -0.21 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.71 3d2a s VAL 149 N 1.71 1.54 -0.22 1.60 1.01 0.26 -4.96 120.40 121.33 3d2a s VAL 149 Ca 0.26 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 3d2a s VAL 149 Cb -0.16 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 3d2a s VAL 149 CO 0.10 0.24 0.19 -1.58 0.00 0.00 0.00 175.10 174.05 3d2a s GLN 150 N 1.46 4.12 0.47 2.72 0.74 -1.26 -1.75 119.66 126.16 3d2a s GLN 150 Ca 0.01 -0.18 0.05 0.00 0.05 0.00 0.00 55.36 55.29 3d2a s GLN 150 Cb -0.15 -3.51 -0.03 0.00 1.10 0.00 0.00 33.01 30.42 3d2a s GLN 150 CO -0.09 0.11 0.13 0.96 -0.55 0.00 0.00 175.29 175.85 3d2a s ILE 151 N 0.90 1.75 0.09 -2.34 -4.36 0.24 -4.98 121.20 112.51 3d2a s ILE 151 Ca 0.10 -1.82 0.01 0.00 -0.26 0.00 0.00 60.65 58.68 3d2a s ILE 151 Cb -0.13 -2.57 -0.04 0.00 1.25 0.00 0.00 42.46 40.97 3d2a s ILE 151 CO 0.03 0.00 -0.06 -1.00 0.24 0.00 0.00 174.94 174.15 3d2a s HIS 152 N -2.74 0.84 -0.44 1.37 3.76 -1.26 -1.49 115.29 115.32 3d2a s HIS 152 Ca 0.27 -0.91 0.00 0.00 -0.15 0.00 0.00 55.06 54.27 3d2a s HIS 152 Cb 0.03 -0.49 0.00 0.00 1.11 0.00 0.00 32.58 33.23 3d2a s HIS 152 CO 0.15 -0.17 0.00 0.41 -0.85 0.00 0.00 174.74 174.28 3d2a n GLY 153 N 0.06 0.62 3.04 -2.22 0.00 -1.26 -4.98 105.19 100.46 3d2a n GLY 153 Ca -0.13 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 3d2a n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d2a s VAL 154 N -2.17 1.00 0.72 1.61 1.01 -1.26 -5.08 120.40 116.23 3d2a s VAL 154 Ca 0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 3d2a s VAL 154 Cb 0.00 -0.88 0.07 0.00 0.00 0.00 0.00 36.38 35.57 3d2a s VAL 154 CO 0.00 0.30 1.04 -0.83 0.00 0.00 0.00 175.10 175.61 3d2a s GLY 155 N 0.20 1.69 0.13 4.51 0.00 -1.26 -4.05 107.32 108.53 3d2a s GLY 155 Ca -0.04 -0.95 -0.26 0.00 0.00 0.00 0.00 44.72 43.47 3d2a s GLY 155 CO 0.01 -0.51 1.61 0.84 0.00 0.00 0.00 173.10 175.05 3d2a h HIS 156 N -0.67 -0.86 0.00 1.90 2.76 -1.94 -1.48 115.15 114.87 3d2a h HIS 156 Ca -0.44 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 57.67 3d2a h HIS 156 Cb 1.31 0.39 -0.01 0.00 1.55 0.00 0.00 27.41 30.65 3d2a h HIS 156 CO 0.25 -0.40 -0.42 0.52 -1.30 0.00 0.00 177.93 176.59 3d2a h MET 157 N -0.42 0.00 0.00 5.26 2.86 -2.00 -3.02 114.93 117.61 3d2a h MET 157 Ca 0.08 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3d2a h MET 157 Cb 0.54 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 3d2a h MET 157 CO -0.31 0.42 -0.03 0.78 1.06 0.00 0.00 176.91 178.83 3d2a h GLY 158 N 2.39 0.00 1.48 8.32 0.00 -1.67 -2.59 103.07 111.01 3d2a h GLY 158 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.38 3d2a h GLY 158 CO 0.05 0.00 0.22 1.41 0.00 0.00 0.00 176.54 178.22 3d2a h LEU 159 N 0.00 0.15 -0.70 3.11 3.38 -1.21 -1.49 115.31 118.56 3d2a h LEU 159 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3d2a h LEU 159 Cb 0.25 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3d2a h LEU 159 CO 0.00 0.10 0.00 0.18 0.09 0.00 0.00 178.44 178.82 3d2a n LEU 160 N -4.48 0.63 -0.09 1.67 4.77 -0.97 -3.26 117.00 115.28 3d2a n LEU 160 Ca 0.04 0.66 0.02 0.00 -0.03 0.00 0.00 56.01 56.70 3d2a n LEU 160 Cb 0.27 -0.58 0.03 0.00 -2.33 0.00 0.00 43.42 40.80 3d2a n LEU 160 CO 0.35 -0.56 0.40 -1.22 -1.33 0.00 0.00 177.39 175.03 3d2a n TYR 161 N -2.20 0.00 -2.63 -1.77 4.01 -0.60 -4.07 117.16 109.89 3d2a n TYR 161 Ca 0.02 -0.38 -0.42 0.00 -0.16 0.00 0.00 57.90 56.96 3d2a n TYR 161 Cb 0.22 -0.05 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 3d2a n TYR 161 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3d2a s SER 162 N -1.06 7.26 0.32 7.72 0.15 -0.94 -4.94 113.70 122.20 3d2a s SER 162 Ca 0.06 1.70 0.01 0.00 0.70 0.00 0.00 55.95 58.43 3d2a s SER 162 Cb 0.05 -2.57 0.54 0.00 -1.71 0.00 0.00 66.02 62.33 3d2a s SER 162 CO 0.01 -0.37 1.91 0.77 1.20 0.00 0.00 173.24 176.76 3d2a h SER 163 N 6.94 0.71 -0.53 5.45 4.64 -1.92 -0.22 113.55 128.61 3d2a h SER 163 Ca -0.38 -0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 60.79 3d2a h SER 163 Cb 1.20 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.08 3d2a h SER 163 CO 0.80 0.63 0.05 -0.61 -0.87 0.00 0.00 176.83 176.83 3d2a h GLN 164 N 0.78 0.90 -0.70 4.77 4.15 -1.98 -2.07 115.11 120.96 3d2a h GLN 164 Ca 0.19 -0.26 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 3d2a h GLN 164 Cb 0.13 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 3d2a h GLN 164 CO -0.02 0.89 0.32 0.28 -1.93 0.00 0.00 178.83 178.37 3d2a h VAL 165 N 0.78 1.24 -0.17 2.39 2.07 -1.69 -1.92 116.25 118.95 3d2a h VAL 165 Ca 0.16 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 67.02 3d2a h VAL 165 Cb 0.45 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3d2a h VAL 165 CO 0.02 0.28 -0.03 1.88 0.02 0.00 0.00 177.57 179.74 3d2a h TYR 166 N 0.99 -0.06 -0.87 1.57 0.05 -0.74 0.11 116.97 118.01 3d2a h TYR 166 Ca 0.24 0.01 0.05 0.00 0.05 0.00 0.00 58.73 59.09 3d2a h TYR 166 Cb 0.15 0.05 -0.06 0.00 1.01 0.00 0.00 36.73 37.88 3d2a h TYR 166 CO 0.01 -0.06 0.55 1.03 -1.05 0.00 0.00 178.16 178.64 3d2a h SER 167 N 0.02 0.88 0.28 3.88 0.87 -1.13 -0.54 113.55 117.81 3d2a h SER 167 Ca 0.08 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.53 3d2a h SER 167 Cb 0.11 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3d2a h SER 167 CO -0.16 0.58 -0.48 -0.07 -0.53 0.00 0.00 176.83 176.17 3d2a h LEU 168 N 1.02 0.25 -0.30 2.23 3.38 -0.68 -1.95 115.31 119.26 3d2a h LEU 168 Ca 0.37 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 3d2a h LEU 168 Cb 0.12 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3d2a h LEU 168 CO -0.16 0.70 -0.10 0.40 0.09 0.00 0.00 178.44 179.37 3d2a h ILE 169 N 0.19 1.29 -0.49 1.22 2.04 0.00 -1.28 117.51 120.48 3d2a h ILE 169 Ca 0.01 -1.17 0.03 0.00 1.00 0.00 0.00 64.86 64.74 3d2a h ILE 169 Cb 0.92 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 3d2a h ILE 169 CO 0.07 0.37 0.26 0.50 0.00 0.00 0.00 178.15 179.36 3d2a h LYS 170 N 0.36 0.50 -0.59 2.37 3.64 -0.94 0.13 116.57 122.04 3d2a h LYS 170 Ca 0.07 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3d2a h LYS 170 Cb 0.60 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 3d2a h LYS 170 CO 0.04 0.33 0.36 0.93 -2.27 0.00 0.00 179.45 178.83 3d2a h GLU 171 N 0.52 0.68 -0.36 1.90 5.08 -1.19 -1.63 114.58 119.57 3d2a h GLU 171 Ca 0.21 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 3d2a h GLU 171 Cb 0.08 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3d2a h GLU 171 CO -0.13 0.45 -0.03 0.78 -1.00 0.00 0.00 179.01 179.08 3d2a h GLY 172 N 0.70 0.71 2.00 -3.84 0.00 -0.51 0.19 103.07 102.32 3d2a h GLY 172 Ca 0.24 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3d2a h GLY 172 CO -0.11 0.50 0.00 1.41 0.00 0.00 0.00 176.54 178.34 3d2a h LEU 173 N 0.46 0.00 -2.89 3.11 3.38 -0.51 -0.96 115.31 117.90 3d2a h LEU 173 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3d2a h LEU 173 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3d2a h LEU 173 CO 0.02 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.14 3d2a n ASN 174 N -2.84 4.50 0.00 -0.43 3.02 -0.64 -4.91 115.26 113.97 3d2a n ASN 174 Ca 0.00 -2.58 0.00 0.00 -0.03 0.00 0.00 54.58 51.97 3d2a n ASN 174 Cb 0.22 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 3d2a n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d2a n GLY 175 N 0.74 0.61 0.13 7.41 0.00 -0.37 -4.97 105.19 108.74 3d2a n GLY 175 Ca 0.22 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.79 3d2a n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d2a n GLY 176 N -2.65 -0.72 3.84 -0.02 0.00 0.66 -4.88 105.19 101.43 3d2a n GLY 176 Ca 0.00 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 3d2a n GLY 176 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d2a s GLY 177 N -1.82 1.75 0.21 -0.02 0.00 -1.26 -4.83 107.32 101.36 3d2a s GLY 177 Ca 0.38 -1.23 -0.03 0.00 0.00 0.00 0.00 44.72 43.84 3d2a s GLY 177 CO 0.30 -0.38 0.20 1.20 0.00 0.00 0.00 173.10 174.41 3d2a s GLN 178 N -5.83 1.27 -0.32 2.90 -0.21 -0.39 -4.67 119.66 112.41 3d2a s GLN 178 Ca 0.75 -1.56 -0.01 0.00 0.02 0.00 0.00 55.36 54.55 3d2a s GLN 178 Cb -0.04 0.31 0.19 0.00 1.00 0.00 0.00 33.01 34.47 3d2a s GLN 178 CO 0.54 -0.44 0.80 1.21 -2.12 0.00 0.00 175.29 175.29 3d2a s ASN 179 N -3.14 -1.05 -0.10 5.90 3.84 -0.98 -1.16 114.94 118.25 3d2a s ASN 179 Ca 0.36 -0.11 0.12 0.00 0.21 0.00 0.00 52.86 53.44 3d2a s ASN 179 Cb 0.06 1.54 0.52 0.00 -0.55 0.00 0.00 41.25 42.82 3d2a s ASN 179 CO 0.12 -0.17 1.37 0.35 -2.79 0.00 0.00 177.10 175.98 3d2a n THR 180 N 4.85 1.41 1.54 -5.21 -2.24 -0.61 -5.02 114.28 109.00 3d2a n THR 180 Ca 0.08 -0.85 0.14 0.00 -2.27 0.00 0.00 64.05 61.14 3d2a n THR 180 Cb 0.57 -0.06 0.56 0.00 -2.10 0.00 0.00 70.33 69.30 3d2a n THR 180 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09