#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d3u s VAL 2 N 0.00 3.21 -0.10 2.03 0.11 -1.26 -4.90 120.40 119.48 1d3u s VAL 2 Ca 0.00 0.21 -0.31 0.00 -2.93 0.00 0.00 61.98 58.95 1d3u s VAL 2 Cb 0.00 -3.29 -0.09 0.00 -1.53 0.00 0.00 36.38 31.48 1d3u s VAL 2 CO 0.00 -0.19 2.05 -0.67 -3.33 0.00 0.00 175.10 172.96 1d3u n ASP 3 N 11.33 3.55 -0.47 3.54 -0.08 -1.26 -4.79 116.55 128.38 1d3u n ASP 3 Ca 0.27 0.67 0.07 0.00 -1.51 0.00 0.00 54.79 54.29 1d3u n ASP 3 Cb 0.46 -1.47 0.16 0.00 2.34 0.00 0.00 41.12 42.61 1d3u n ASP 3 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 1d3u n MET 4 N 7.75 2.47 0.31 -0.67 2.81 -1.26 -4.72 117.12 123.81 1d3u n MET 4 Ca 0.25 -2.39 0.19 0.00 -1.81 0.00 0.00 57.70 53.94 1d3u n MET 4 Cb 0.38 -1.50 1.01 0.00 -0.71 0.00 0.00 33.22 32.40 1d3u n MET 4 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1d3u h SER 5 N 1.05 0.00 -0.00 7.83 4.64 -1.96 -1.73 113.55 123.37 1d3u h SER 5 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1d3u h SER 5 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1d3u h SER 5 CO 0.08 0.00 -0.86 0.29 -0.87 0.00 0.00 176.83 175.47 1d3u n LYS 6 N -2.90 0.49 -2.30 4.77 5.02 -1.26 -4.97 118.16 117.00 1d3u n LYS 6 Ca -0.02 -0.18 -0.42 0.00 -2.02 0.00 0.00 58.31 55.67 1d3u n LYS 6 Cb 0.16 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 1d3u n LYS 6 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1d3u s VAL 7 N -2.81 3.50 0.06 -0.18 1.01 -0.65 -4.58 120.40 116.74 1d3u s VAL 7 Ca 0.10 1.19 -0.06 0.00 0.00 0.00 0.00 61.98 63.20 1d3u s VAL 7 Cb 0.16 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 1d3u s VAL 7 CO 0.78 0.15 0.12 -1.59 0.00 0.00 0.00 175.10 174.56 1d3u s LYS 8 N 0.25 0.71 0.06 2.72 -2.85 -0.90 -5.00 119.74 114.71 1d3u s LYS 8 Ca 0.57 -0.91 0.02 0.00 -1.00 0.00 0.00 55.97 54.65 1d3u s LYS 8 Cb -0.34 0.28 -0.03 0.00 -2.06 0.00 0.00 37.83 35.68 1d3u s LYS 8 CO 0.35 -0.19 -0.08 -0.51 0.10 0.00 0.00 175.35 175.01 1d3u s LEU 9 N -2.57 2.31 -0.03 2.77 1.43 -1.26 -1.56 118.68 119.78 1d3u s LEU 9 Ca 0.01 -0.66 0.02 0.00 -1.03 0.00 0.00 54.13 52.48 1d3u s LEU 9 Cb 0.03 -0.17 0.01 0.00 0.03 0.00 0.00 46.19 46.09 1d3u s LEU 9 CO -0.08 -0.25 -0.07 -0.13 0.23 0.00 0.00 176.35 176.04 1d3u s ARG 10 N -2.09 0.83 0.31 1.70 0.52 0.23 -4.98 118.95 115.47 1d3u s ARG 10 Ca -0.05 -0.24 -0.28 0.00 -0.52 0.00 0.00 55.73 54.64 1d3u s ARG 10 Cb -0.07 -0.79 -0.09 0.00 0.52 0.00 0.00 34.95 34.51 1d3u s ARG 10 CO -0.01 0.07 1.11 -1.50 0.02 0.00 0.00 175.30 175.00 1d3u s ILE 11 N 0.31 3.43 0.00 1.52 1.10 -1.26 -1.65 121.20 124.65 1d3u s ILE 11 Ca -0.04 1.38 0.00 0.00 -0.51 0.00 0.00 60.65 61.48 1d3u s ILE 11 Cb -0.09 -3.86 0.00 0.00 0.15 0.00 0.00 42.46 38.67 1d3u s ILE 11 CO 0.00 0.29 0.00 -0.62 -2.11 0.00 0.00 174.94 172.50 1d3u n GLU 12 N 0.94 1.91 -3.64 3.50 -0.58 0.78 -4.86 120.64 118.70 1d3u n GLU 12 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.64 1d3u n GLU 12 Cb 0.45 -0.90 -0.07 0.00 -0.57 0.00 0.00 31.44 30.35 1d3u n GLU 12 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1d3u s ASN 13 N -1.95 -0.67 -0.02 1.62 2.47 -1.09 -4.84 114.94 110.45 1d3u s ASN 13 Ca 0.00 1.23 0.04 0.00 0.42 0.00 0.00 52.86 54.56 1d3u s ASN 13 Cb 0.00 1.26 -0.01 0.00 -1.45 0.00 0.00 41.25 41.05 1d3u s ASN 13 CO 0.00 -0.21 -0.15 -0.63 -3.72 0.00 0.00 177.10 172.39 1d3u s ILE 14 N 0.61 1.25 -0.09 -5.21 1.01 0.75 -1.22 121.20 118.30 1d3u s ILE 14 Ca -0.01 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.02 1d3u s ILE 14 Cb -0.05 -1.06 0.00 0.00 0.01 0.00 0.00 42.46 41.37 1d3u s ILE 14 CO -0.06 0.36 -0.22 -0.69 0.00 0.00 0.00 174.94 174.34 1d3u s VAL 15 N -0.19 1.86 0.02 2.92 1.01 0.44 -3.05 120.40 123.42 1d3u s VAL 15 Ca 0.02 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.12 1d3u s VAL 15 Cb -0.08 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 1d3u s VAL 15 CO 0.00 0.52 -0.07 0.00 0.00 0.00 0.00 175.10 175.55 1d3u s ALA 16 N 0.39 0.55 -0.11 5.51 0.00 0.08 0.88 121.76 129.06 1d3u s ALA 16 Ca -0.18 -0.57 -0.05 0.00 0.00 0.00 0.00 51.96 51.17 1d3u s ALA 16 Cb -0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1d3u s ALA 16 CO 0.08 0.04 0.07 -1.54 0.00 0.00 0.00 175.76 174.40 1d3u s SER 17 N -1.02 5.77 -0.04 0.00 1.04 0.13 -0.58 113.70 119.00 1d3u s SER 17 Ca -0.05 0.28 0.04 0.00 0.48 0.00 0.00 55.95 56.70 1d3u s SER 17 Cb -0.07 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.28 1d3u s SER 17 CO 0.00 0.37 -0.14 -0.69 0.98 0.00 0.00 173.24 173.76 1d3u s VAL 18 N -0.84 1.23 -0.34 5.02 1.01 -0.07 -0.41 120.40 125.99 1d3u s VAL 18 Ca 0.13 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 1d3u s VAL 18 Cb -0.12 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1d3u s VAL 18 CO 0.03 0.36 0.15 -0.62 0.00 0.00 0.00 175.10 175.02 1d3u s ASP 19 N 0.15 5.50 0.43 3.32 3.68 -0.23 0.16 116.67 129.69 1d3u s ASP 19 Ca -0.05 -0.92 0.23 0.00 2.13 0.00 0.00 52.55 53.94 1d3u s ASP 19 Cb -0.11 -1.96 0.41 0.00 -1.45 0.00 0.00 42.92 39.81 1d3u s ASP 19 CO 0.02 -0.31 1.63 -0.07 0.13 0.00 0.00 175.17 176.56 1d3u h LEU 20 N 8.34 0.00 -2.72 -1.34 3.38 -1.48 -2.32 115.31 119.16 1d3u h LEU 20 Ca -0.27 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 1d3u h LEU 20 Cb 1.11 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.94 1d3u h LEU 20 CO 0.63 0.06 -0.36 0.49 0.09 0.00 0.00 178.44 179.36 1d3u n PHE 21 N -3.12 -1.26 0.00 1.13 3.72 -1.26 -4.64 117.46 112.03 1d3u n PHE 21 Ca 0.03 0.45 0.00 0.00 -0.05 0.00 0.00 57.45 57.88 1d3u n PHE 21 Cb 0.53 -3.22 0.00 0.00 -0.94 0.00 0.00 39.48 35.85 1d3u n PHE 21 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1d3u n ALA 22 N -2.20 0.00 -0.79 4.37 0.00 -1.26 -2.92 120.51 117.72 1d3u n ALA 22 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.11 1d3u n ALA 22 Cb 0.55 0.00 0.16 0.00 0.00 0.00 0.00 19.45 20.16 1d3u n ALA 22 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1d3u s GLN 23 N 0.00 0.97 -0.06 0.00 -1.52 -1.26 -3.50 119.66 114.29 1d3u s GLN 23 Ca 0.00 1.37 -0.07 0.00 -1.95 0.00 0.00 55.36 54.71 1d3u s GLN 23 Cb 0.00 -1.73 0.02 0.00 -0.22 0.00 0.00 33.01 31.07 1d3u s GLN 23 CO 0.00 -2.60 0.18 -0.51 -0.25 0.00 0.00 175.29 172.11 1d3u s LEU 24 N -6.56 1.32 -0.53 2.90 1.43 0.13 -4.80 118.68 112.57 1d3u s LEU 24 Ca 0.66 0.27 -0.17 0.00 -1.03 0.00 0.00 54.13 53.86 1d3u s LEU 24 Cb -0.22 0.66 0.09 0.00 0.03 0.00 0.00 46.19 46.75 1d3u s LEU 24 CO 0.58 -0.12 0.57 -0.62 0.23 0.00 0.00 176.35 176.99 1d3u s ASP 25 N -0.18 6.19 0.50 2.29 -1.08 -1.26 -4.41 116.67 118.72 1d3u s ASP 25 Ca -0.03 -1.36 0.21 0.00 -0.52 0.00 0.00 52.55 50.85 1d3u s ASP 25 Cb -0.02 -2.25 1.28 0.00 -1.46 0.00 0.00 42.92 40.47 1d3u s ASP 25 CO 0.01 -0.89 2.01 -0.07 0.52 0.00 0.00 175.17 176.74 1d3u h LEU 26 N 9.38 0.10 -0.80 -1.34 3.38 -1.93 -1.80 115.31 122.29 1d3u h LEU 26 Ca -0.29 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.58 1d3u h LEU 26 Cb 1.10 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1d3u h LEU 26 CO 1.00 0.06 -0.25 -0.33 0.09 0.00 0.00 178.44 179.01 1d3u h GLU 27 N 0.11 0.62 0.00 1.13 3.07 -2.01 -1.72 114.58 115.77 1d3u h GLU 27 Ca 0.22 -0.25 -0.10 0.00 -0.50 0.00 0.00 59.36 58.74 1d3u h GLU 27 Cb 0.75 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.61 1d3u h GLU 27 CO -0.02 0.82 -0.46 -0.22 -1.40 0.00 0.00 179.01 177.73 1d3u h LYS 28 N 0.54 0.00 0.05 2.33 3.64 -1.77 -3.23 116.57 118.13 1d3u h LYS 28 Ca 0.07 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.22 1d3u h LYS 28 Cb 0.72 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1d3u h LYS 28 CO 0.06 0.46 -1.03 0.28 -2.27 0.00 0.00 179.45 176.94 1d3u h VAL 29 N 0.00 1.46 -0.80 2.00 2.07 -1.04 -3.33 116.25 116.61 1d3u h VAL 29 Ca -0.00 -2.70 0.23 0.00 0.82 0.00 0.00 66.70 65.05 1d3u h VAL 29 Cb 1.11 2.61 -0.03 0.00 -1.52 0.00 0.00 31.29 33.46 1d3u h VAL 29 CO 0.06 0.80 1.14 -0.07 0.02 0.00 0.00 177.57 179.51 1d3u h LEU 30 N 0.15 0.00 0.06 2.57 3.38 -1.34 0.28 115.31 120.41 1d3u h LEU 30 Ca -0.09 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1d3u h LEU 30 Cb 1.70 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.46 1d3u h LEU 30 CO 0.17 0.00 -0.39 0.44 0.09 0.00 0.00 178.44 178.75 1d3u h ASP 31 N 0.00 0.24 -0.46 -0.43 3.45 -1.79 -3.29 116.42 114.15 1d3u h ASP 31 Ca 0.38 -0.94 0.13 0.00 0.43 0.00 0.00 57.03 57.03 1d3u h ASP 31 Cb 2.66 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 41.33 1d3u h ASP 31 CO -0.00 1.16 0.70 -0.07 -1.57 0.00 0.00 179.24 179.46 1d3u h LEU 32 N -0.64 0.00 -7.98 1.55 3.38 -0.67 -3.32 115.31 107.63 1d3u h LEU 32 Ca -0.07 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.23 1d3u h LEU 32 Cb 1.27 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 41.68 1d3u h LEU 32 CO 0.07 0.00 -0.74 0.00 0.09 0.00 0.00 178.44 177.86 1d3u n PRO 34 N 4.56 0.00 -1.70 0.00 -0.02 -1.25 -4.02 135.00 132.57 1d3u n PRO 34 Ca -0.14 0.13 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 1d3u n PRO 34 Cb 0.43 -0.96 -0.04 0.00 -0.02 0.00 0.00 33.50 32.91 1d3u n PRO 34 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1d3u s ASN 35 N -2.29 4.48 0.03 2.55 2.20 -1.26 -4.89 114.94 115.77 1d3u s ASN 35 Ca 0.00 0.46 -0.05 0.00 -0.94 0.00 0.00 52.86 52.33 1d3u s ASN 35 Cb 0.00 -2.53 -0.01 0.00 -2.00 0.00 0.00 41.25 36.71 1d3u s ASN 35 CO 0.00 -3.08 0.08 -0.55 -2.94 0.00 0.00 177.10 170.61 1d3u s SER 36 N 10.69 0.19 -0.03 3.54 0.15 -1.26 -2.53 113.70 124.45 1d3u s SER 36 Ca 0.88 -0.54 -0.01 0.00 0.70 0.00 0.00 55.95 56.99 1d3u s SER 36 Cb -0.14 0.21 0.03 0.00 -1.71 0.00 0.00 66.02 64.41 1d3u s SER 36 CO 0.17 -0.49 0.06 -0.75 1.20 0.00 0.00 173.24 173.43 1d3u s LYS 37 N -2.51 -0.01 -0.04 5.44 2.20 -0.38 -5.01 119.74 119.44 1d3u s LYS 37 Ca -0.06 0.22 -0.02 0.00 -0.36 0.00 0.00 55.97 55.76 1d3u s LYS 37 Cb -0.02 -0.22 0.03 0.00 -1.51 0.00 0.00 37.83 36.11 1d3u s LYS 37 CO -0.04 -0.16 0.09 -0.47 -0.36 0.00 0.00 175.35 174.41 1d3u s TYR 38 N 1.06 -0.08 -0.50 4.03 5.04 -1.26 -1.44 117.35 124.20 1d3u s TYR 38 Ca -0.09 0.30 0.06 0.00 -2.44 0.00 0.00 57.07 54.91 1d3u s TYR 38 Cb -0.12 -0.11 0.21 0.00 0.35 0.00 0.00 41.96 42.29 1d3u s TYR 38 CO -0.04 -0.11 0.76 0.09 -1.34 0.00 0.00 175.55 174.91 1d3u n ASN 39 N 3.92 -2.91 -0.47 4.32 3.02 -1.26 -5.01 115.26 116.86 1d3u n ASN 39 Ca -0.24 -3.02 0.42 0.00 -0.03 0.00 0.00 54.58 51.71 1d3u n ASN 39 Cb 0.53 1.54 0.71 0.00 -0.61 0.00 0.00 39.78 41.95 1d3u n ASN 39 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1d3u h PRO 40 N 4.61 0.00 0.01 3.52 0.11 -1.91 0.45 132.00 138.80 1d3u h PRO 40 Ca -0.01 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.12 1d3u h PRO 40 Cb 1.06 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1d3u h PRO 40 CO 0.17 0.00 -0.13 1.49 -0.21 0.00 0.00 178.00 179.33 1d3u h GLU 41 N 0.00 -0.21 0.00 1.05 4.81 -1.99 -3.35 114.58 114.89 1d3u h GLU 41 Ca 0.72 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.94 1d3u h GLU 41 Cb 3.13 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 32.56 1d3u h GLU 41 CO -0.01 -0.14 -0.32 1.05 -0.73 0.00 0.00 179.01 178.86 1d3u h GLU 42 N -0.22 0.00 -4.38 1.92 4.11 -0.57 -3.47 114.58 111.97 1d3u h GLU 42 Ca 0.04 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 58.95 1d3u h GLU 42 Cb 0.27 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 29.17 1d3u h GLU 42 CO -0.12 0.14 -0.81 0.12 0.07 0.00 0.00 179.01 178.42 1d3u s PHE 43 N -1.96 1.48 -1.05 2.06 5.36 -0.69 -5.04 117.98 118.14 1d3u s PHE 43 Ca -0.10 -0.66 0.00 0.00 -0.96 0.00 0.00 56.93 55.22 1d3u s PHE 43 Cb 0.01 -1.16 0.00 0.00 -0.34 0.00 0.00 43.02 41.53 1d3u s PHE 43 CO 0.19 -0.41 0.87 -0.35 -1.46 0.00 0.00 175.22 174.06 1d3u n PRO 44 N 4.41 0.00 -4.53 10.12 -0.04 -1.26 -3.79 135.00 139.92 1d3u n PRO 44 Ca -0.18 0.38 -0.27 0.00 -0.04 0.00 0.00 63.50 63.39 1d3u n PRO 44 Cb 0.51 -1.54 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 1d3u n PRO 44 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1d3u s GLY 45 N -2.75 2.46 -0.15 0.55 0.00 -1.26 -4.67 107.32 101.50 1d3u s GLY 45 Ca 0.00 -2.26 -0.20 0.00 0.00 0.00 0.00 44.72 42.25 1d3u s GLY 45 CO 0.00 -2.06 0.60 -0.42 0.00 0.00 0.00 173.10 171.22 1d3u s ILE 46 N -2.68 5.07 -0.50 0.90 1.01 0.11 -4.68 121.20 120.42 1d3u s ILE 46 Ca 0.36 1.16 -0.21 0.00 0.00 0.00 0.00 60.65 61.96 1d3u s ILE 46 Cb 0.09 -3.93 0.04 0.00 0.01 0.00 0.00 42.46 38.67 1d3u s ILE 46 CO 0.19 0.19 0.74 -0.63 0.00 0.00 0.00 174.94 175.43 1d3u s ILE 47 N 1.38 4.70 -0.03 2.92 -1.09 -0.52 -0.74 121.20 127.81 1d3u s ILE 47 Ca 0.29 -0.09 0.07 0.00 -2.23 0.00 0.00 60.65 58.69 1d3u s ILE 47 Cb -0.16 -4.36 -0.02 0.00 -1.58 0.00 0.00 42.46 36.34 1d3u s ILE 47 CO 0.12 -0.86 -0.24 0.00 -1.23 0.00 0.00 174.94 172.73 1d3u s HIS 49 N -0.52 3.62 0.56 0.00 3.76 -1.05 0.17 115.29 121.82 1d3u s HIS 49 Ca 0.07 -2.55 -0.19 0.00 -0.15 0.00 0.00 55.06 52.24 1d3u s HIS 49 Cb -0.11 -3.05 -0.05 0.00 1.11 0.00 0.00 32.58 30.48 1d3u s HIS 49 CO 0.00 -0.95 1.15 -0.51 -0.85 0.00 0.00 174.74 173.58 1d3u s LEU 50 N 1.08 3.73 -0.24 0.89 1.43 0.17 -4.75 118.68 120.99 1d3u s LEU 50 Ca 0.08 2.24 -0.13 0.00 -1.03 0.00 0.00 54.13 55.28 1d3u s LEU 50 Cb -0.21 -4.58 -0.16 0.00 0.03 0.00 0.00 46.19 41.26 1d3u s LEU 50 CO -0.05 -1.31 -0.09 0.47 0.23 0.00 0.00 176.35 175.59 1d3u n ASP 51 N -1.37 1.95 0.00 2.29 10.43 -1.26 -3.63 116.55 124.96 1d3u n ASP 51 Ca 0.12 0.28 0.00 0.00 2.57 0.00 0.00 54.79 57.76 1d3u n ASP 51 Cb 0.51 -0.81 0.00 0.00 1.84 0.00 0.00 41.12 42.66 1d3u n ASP 51 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1d3u n ASP 52 N -4.08 0.00 -4.69 -2.24 2.03 -1.26 -3.67 116.55 102.65 1d3u n ASP 52 Ca -0.44 0.06 -0.42 0.00 0.52 0.00 0.00 54.79 54.51 1d3u n ASP 52 Cb 0.86 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.23 1d3u n ASP 52 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1d3u s PRO 53 N -0.12 4.22 -0.77 -0.67 0.02 -1.26 -4.75 135.00 131.67 1d3u s PRO 53 Ca 0.00 2.25 -0.22 0.00 0.02 0.00 0.00 61.00 63.04 1d3u s PRO 53 Cb 0.00 -3.56 -0.16 0.00 0.02 0.00 0.00 34.50 30.80 1d3u s PRO 53 CO 0.00 -0.69 1.92 0.36 -0.33 0.00 0.00 177.00 178.27 1d3u n LYS 54 N 5.44 1.49 -4.35 5.54 -0.00 -1.24 -4.54 118.16 120.49 1d3u n LYS 54 Ca 0.15 -1.85 -0.25 0.00 -0.00 0.00 0.00 58.31 56.36 1d3u n LYS 54 Cb 0.41 -2.93 -0.12 0.00 -0.00 0.00 0.00 35.03 32.39 1d3u n LYS 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1d3u s VAL 55 N 5.15 2.00 -0.12 0.58 -7.23 -1.24 -4.56 120.40 114.98 1d3u s VAL 55 Ca 0.58 -1.78 -0.05 0.00 -1.81 0.00 0.00 61.98 58.92 1d3u s VAL 55 Cb 0.14 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 1d3u s VAL 55 CO 0.12 -0.09 0.06 0.00 -0.31 0.00 0.00 175.10 174.88 1d3u s ALA 56 N -1.44 3.50 0.03 1.32 0.00 -0.26 -0.65 121.76 124.26 1d3u s ALA 56 Ca 0.13 -0.74 0.09 0.00 0.00 0.00 0.00 51.96 51.44 1d3u s ALA 56 Cb -0.09 -1.76 -0.03 0.00 0.00 0.00 0.00 23.12 21.25 1d3u s ALA 56 CO 0.06 0.48 -0.25 -0.51 0.00 0.00 0.00 175.76 175.54 1d3u s LEU 57 N -0.56 2.24 -0.25 0.00 1.43 0.46 -1.85 118.68 120.16 1d3u s LEU 57 Ca 0.11 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 1d3u s LEU 57 Cb -0.12 -1.34 0.04 0.00 0.03 0.00 0.00 46.19 44.80 1d3u s LEU 57 CO 0.02 0.27 -0.09 -0.76 0.23 0.00 0.00 176.35 176.02 1d3u s LEU 58 N -1.17 3.22 -0.16 1.79 1.43 -0.10 -0.38 118.68 123.30 1d3u s LEU 58 Ca 0.12 -1.10 -0.05 0.00 -1.03 0.00 0.00 54.13 52.07 1d3u s LEU 58 Cb -0.10 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 1d3u s LEU 58 CO 0.02 -0.15 0.02 -0.63 0.23 0.00 0.00 176.35 175.84 1d3u s ILE 59 N 1.22 4.39 0.08 -0.59 1.09 0.08 -2.17 121.20 125.30 1d3u s ILE 59 Ca -0.03 -0.18 0.08 0.00 -1.10 0.00 0.00 60.65 59.41 1d3u s ILE 59 Cb -0.18 -2.94 -0.04 0.00 -1.06 0.00 0.00 42.46 38.24 1d3u s ILE 59 CO -0.06 0.49 -0.18 -0.36 -0.10 0.00 0.00 174.94 174.74 1d3u s PHE 60 N 0.20 2.55 0.50 3.97 0.08 -0.94 0.07 117.98 124.41 1d3u s PHE 60 Ca 0.01 -0.26 0.30 0.00 0.12 0.00 0.00 56.93 57.11 1d3u s PHE 60 Cb -0.13 -1.40 1.40 0.00 -0.57 0.00 0.00 43.02 42.32 1d3u s PHE 60 CO 0.02 0.33 1.81 0.66 -0.10 0.00 0.00 175.22 177.93 1d3u h SER 61 N 4.09 0.14 0.23 1.36 4.64 -1.83 0.15 113.55 122.32 1d3u h SER 61 Ca -0.49 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1d3u h SER 61 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1d3u h SER 61 CO 0.47 0.03 0.00 -1.54 -0.87 0.00 0.00 176.83 174.91 1d3u n SER 62 N -4.34 0.00 0.00 4.97 3.41 -1.26 0.20 113.62 116.60 1d3u n SER 62 Ca 0.24 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1d3u n SER 62 Cb 1.08 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 1d3u n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d3u n GLY 63 N -0.49 1.06 3.91 5.00 0.00 0.51 -4.49 105.19 110.69 1d3u n GLY 63 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1d3u n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d3u s LYS 64 N -0.53 3.61 0.22 1.61 1.02 -1.25 -1.22 119.74 123.20 1d3u s LYS 64 Ca 0.00 -0.03 -0.00 0.00 0.02 0.00 0.00 55.97 55.96 1d3u s LYS 64 Cb 0.00 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.63 1d3u s LYS 64 CO 0.00 0.19 0.12 -0.51 -0.92 0.00 0.00 175.35 174.23 1d3u s LEU 65 N -3.69 1.32 -0.03 3.17 1.43 0.12 -2.21 118.68 118.80 1d3u s LEU 65 Ca 0.43 -1.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.16 1d3u s LEU 65 Cb -0.11 0.27 0.01 0.00 0.03 0.00 0.00 46.19 46.39 1d3u s LEU 65 CO 0.31 -0.81 -0.08 -0.69 0.23 0.00 0.00 176.35 175.31 1d3u s VAL 66 N -4.01 0.76 -0.14 -1.59 1.01 -0.92 -0.89 120.40 114.62 1d3u s VAL 66 Ca 0.39 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1d3u s VAL 66 Cb 0.07 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.78 1d3u s VAL 66 CO 0.13 0.25 -0.16 -0.69 0.00 0.00 0.00 175.10 174.62 1d3u s VAL 67 N 0.32 1.67 0.15 2.92 1.01 0.25 -0.93 120.40 125.80 1d3u s VAL 67 Ca -0.05 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1d3u s VAL 67 Cb -0.10 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 1d3u s VAL 67 CO 0.01 0.48 -0.04 0.42 0.00 0.00 0.00 175.10 175.96 1d3u s THR 68 N 1.19 0.85 0.00 3.92 -4.23 -0.77 -0.74 115.64 115.86 1d3u s THR 68 Ca -0.01 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1d3u s THR 68 Cb -0.14 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.73 1d3u s THR 68 CO -0.06 -0.63 0.00 0.61 -0.54 0.00 0.00 174.62 174.00 1d3u n GLY 69 N -0.20 1.66 3.75 3.99 0.00 -1.17 -1.11 105.19 112.11 1d3u n GLY 69 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1d3u n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d3u s ALA 70 N -2.44 2.78 -1.89 4.61 0.00 -1.22 -4.66 121.76 118.95 1d3u s ALA 70 Ca 0.00 1.27 0.15 0.00 0.00 0.00 0.00 51.96 53.39 1d3u s ALA 70 Cb 0.00 -3.54 0.14 0.00 0.00 0.00 0.00 23.12 19.71 1d3u s ALA 70 CO 0.00 -1.32 1.00 1.63 0.00 0.00 0.00 175.76 177.08 1d3u n LYS 71 N -1.08 1.21 -3.56 0.00 4.76 -1.26 -0.18 118.16 118.05 1d3u n LYS 71 Ca 0.11 -1.45 -0.15 0.00 -2.87 0.00 0.00 58.31 53.94 1d3u n LYS 71 Cb 0.46 -1.30 -0.06 0.00 -1.84 0.00 0.00 35.03 32.29 1d3u n LYS 71 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1d3u s SER 72 N -1.27 -0.62 0.55 4.39 1.04 -1.26 -4.96 113.70 111.58 1d3u s SER 72 Ca 0.19 0.81 0.23 0.00 0.48 0.00 0.00 55.95 57.65 1d3u s SER 72 Cb 0.13 0.69 1.54 0.00 0.10 0.00 0.00 66.02 68.48 1d3u s SER 72 CO 0.19 -0.47 2.20 0.58 0.98 0.00 0.00 173.24 176.72 1d3u h VAL 73 N 3.14 0.76 -0.03 5.02 2.07 -2.00 -1.82 116.25 123.40 1d3u h VAL 73 Ca -0.26 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1d3u h VAL 73 Cb 1.15 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1d3u h VAL 73 CO 0.30 0.01 0.02 -0.61 0.02 0.00 0.00 177.57 177.30 1d3u h GLN 74 N 0.00 0.04 -0.24 1.57 -0.00 -1.99 -1.24 115.11 113.25 1d3u h GLN 74 Ca -0.00 -0.01 0.07 0.00 -0.00 0.00 0.00 58.65 58.71 1d3u h GLN 74 Cb 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.48 1d3u h GLN 74 CO 0.00 0.12 0.22 -0.44 0.00 0.00 0.00 178.83 178.72 1d3u h ASP 75 N -0.05 0.00 0.18 -0.69 3.45 -1.73 -0.89 116.42 116.69 1d3u h ASP 75 Ca 0.01 0.00 -0.30 0.00 0.43 0.00 0.00 57.03 57.17 1d3u h ASP 75 Cb 0.09 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 38.89 1d3u h ASP 75 CO -0.00 0.00 -1.30 0.40 -1.57 0.00 0.00 179.24 176.77 1d3u h ILE 76 N 0.00 1.30 -0.84 0.35 2.04 -1.25 -2.26 117.51 116.85 1d3u h ILE 76 Ca 0.11 -2.56 -0.03 0.00 1.00 0.00 0.00 64.86 63.38 1d3u h ILE 76 Cb 0.54 2.89 -0.04 0.00 -0.74 0.00 0.00 36.82 39.47 1d3u h ILE 76 CO -0.00 0.77 0.40 -0.33 0.00 0.00 0.00 178.15 178.99 1d3u h GLU 77 N 0.16 1.21 -0.46 2.37 5.08 -0.17 -0.11 114.58 122.67 1d3u h GLU 77 Ca -0.21 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 57.90 1d3u h GLU 77 Cb 1.99 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 31.01 1d3u h GLU 77 CO 0.25 0.93 0.04 0.00 -1.00 0.00 0.00 179.01 179.23 1d3u h ARG 78 N 1.20 0.79 -0.54 2.33 3.08 -1.24 -1.82 114.38 118.17 1d3u h ARG 78 Ca 0.29 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1d3u h ARG 78 Cb 0.13 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1d3u h ARG 78 CO -0.04 0.82 0.26 0.00 -1.07 0.00 0.00 179.97 179.94 1d3u h ALA 79 N 0.94 0.69 0.00 0.04 0.00 -0.92 -0.93 119.26 119.08 1d3u h ALA 79 Ca 0.14 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1d3u h ALA 79 Cb 0.44 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1d3u h ALA 79 CO 0.02 0.26 -0.15 0.28 0.00 0.00 0.00 179.25 179.66 1d3u h VAL 80 N 0.72 0.90 0.37 0.00 2.07 -0.89 -2.49 116.25 116.94 1d3u h VAL 80 Ca 0.18 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1d3u h VAL 80 Cb 0.12 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1d3u h VAL 80 CO -0.02 0.14 -0.18 0.00 0.02 0.00 0.00 177.57 177.53 1d3u h ALA 81 N 1.85 -0.58 -0.78 1.67 0.00 -0.42 -1.23 119.26 119.78 1d3u h ALA 81 Ca -0.00 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 54.98 1d3u h ALA 81 Cb 0.30 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 18.16 1d3u h ALA 81 CO 0.02 -0.54 0.18 0.87 0.00 0.00 0.00 179.25 179.78 1d3u h LYS 82 N -0.95 0.23 0.15 0.00 1.79 -1.15 0.16 116.57 116.80 1d3u h LYS 82 Ca -0.05 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1d3u h LYS 82 Cb 0.38 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1d3u h LYS 82 CO 0.08 0.15 -0.07 1.25 -1.08 0.00 0.00 179.45 179.79 1d3u h LEU 83 N 0.24 -0.17 -0.88 2.94 5.85 -1.50 -1.55 115.31 120.24 1d3u h LEU 83 Ca 0.45 -0.11 0.13 0.00 0.84 0.00 0.00 57.88 59.20 1d3u h LEU 83 Cb 0.82 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.81 1d3u h LEU 83 CO -0.57 0.01 0.49 0.00 -0.34 0.00 0.00 178.44 178.03 1d3u h ALA 84 N 0.49 1.31 -1.85 1.25 0.00 0.09 -1.37 119.26 119.19 1d3u h ALA 84 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1d3u h ALA 84 Cb 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1d3u h ALA 84 CO 0.03 0.01 0.00 0.94 0.00 0.00 0.00 179.25 180.24 1d3u n GLN 85 N -4.79 0.00 -0.42 0.00 -0.06 0.43 -2.08 117.38 110.47 1d3u n GLN 85 Ca 0.17 0.37 0.38 0.00 -2.00 0.00 0.00 57.00 55.92 1d3u n GLN 85 Cb 0.39 -1.19 0.59 0.00 -4.06 0.00 0.00 30.24 25.97 1d3u n GLN 85 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1d3u n LYS 86 N -1.32 0.01 0.03 3.69 5.02 -0.62 -0.80 118.16 124.17 1d3u n LYS 86 Ca 0.00 1.05 -0.12 0.00 -2.02 0.00 0.00 58.31 57.22 1d3u n LYS 86 Cb 0.00 -2.52 -0.09 0.00 -0.02 0.00 0.00 35.03 32.40 1d3u n LYS 86 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1d3u h LEU 87 N 0.00 -0.13 -2.09 -0.35 3.38 -0.68 -3.08 115.31 112.36 1d3u h LEU 87 Ca 0.68 -0.44 0.08 0.00 0.09 0.00 0.00 57.88 58.29 1d3u h LEU 87 Cb 3.29 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 44.06 1d3u h LEU 87 CO -0.01 0.45 0.22 0.11 0.09 0.00 0.00 178.44 179.30 1d3u h LYS 88 N -0.79 0.00 0.00 1.13 1.57 -0.50 -0.29 116.57 117.69 1d3u h LYS 88 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1d3u h LYS 88 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1d3u h LYS 88 CO 0.03 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.34 1d3u n SER 89 N -4.19 0.00 -0.32 0.86 7.64 -1.00 -1.96 113.62 114.65 1d3u n SER 89 Ca 0.04 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 58.89 1d3u n SER 89 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1d3u n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1d3u n ILE 90 N -0.58 0.00 -0.62 0.44 3.06 -0.13 -5.02 119.36 116.50 1d3u n ILE 90 Ca 0.02 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.27 1d3u n ILE 90 Cb 0.01 0.63 0.00 0.00 0.54 0.00 0.00 39.64 40.82 1d3u n ILE 90 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1d3u n GLY 91 N 0.00 1.17 3.52 4.50 0.00 -0.83 -5.11 105.19 108.45 1d3u n GLY 91 Ca 0.00 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1d3u n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d3u s VAL 92 N -2.18 3.49 -0.09 1.61 1.01 -1.12 -5.00 120.40 118.12 1d3u s VAL 92 Ca 0.00 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.48 1d3u s VAL 92 Cb 0.00 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.94 1d3u s VAL 92 CO 0.00 0.57 -0.24 -0.54 0.00 0.00 0.00 175.10 174.90 1d3u s LYS 93 N -0.49 2.93 -0.23 2.72 1.02 -1.26 -4.09 119.74 120.34 1d3u s LYS 93 Ca 0.07 -0.87 -0.10 0.00 0.02 0.00 0.00 55.97 55.08 1d3u s LYS 93 Cb -0.12 -2.28 -0.05 0.00 -0.52 0.00 0.00 37.83 34.86 1d3u s LYS 93 CO 0.02 0.24 0.14 -0.06 -0.92 0.00 0.00 175.35 174.77 1d3u s PHE 94 N 0.19 3.33 0.28 3.18 0.08 -1.26 -4.81 117.98 118.97 1d3u s PHE 94 Ca -0.14 0.22 0.37 0.00 0.12 0.00 0.00 56.93 57.50 1d3u s PHE 94 Cb -0.17 -2.23 1.76 0.00 -0.57 0.00 0.00 43.02 41.82 1d3u s PHE 94 CO 0.07 0.12 2.11 -0.22 -0.10 0.00 0.00 175.22 177.21 1d3u h LYS 95 N 7.25 0.00 -3.38 0.44 3.64 -1.80 -3.45 116.57 119.27 1d3u h LYS 95 Ca -0.39 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.98 1d3u h LYS 95 Cb 1.16 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.91 1d3u h LYS 95 CO 0.68 0.00 0.03 1.03 -2.27 0.00 0.00 179.45 178.93 1d3u s ARG 96 N -3.83 1.69 0.32 1.90 0.52 -1.26 -5.14 118.95 113.14 1d3u s ARG 96 Ca -0.01 -1.17 -0.27 0.00 -0.52 0.00 0.00 55.73 53.76 1d3u s ARG 96 Cb 0.10 0.53 -0.09 0.00 0.52 0.00 0.00 34.95 36.01 1d3u s ARG 96 CO 0.47 -0.74 1.01 0.00 0.02 0.00 0.00 175.30 176.07 1d3u s ALA 97 N -3.87 3.24 0.12 2.13 0.00 -1.26 -4.87 121.76 117.24 1d3u s ALA 97 Ca 0.18 0.68 -0.35 0.00 0.00 0.00 0.00 51.96 52.47 1d3u s ALA 97 Cb -0.03 -3.25 -0.17 0.00 0.00 0.00 0.00 23.12 19.67 1d3u s ALA 97 CO 0.09 -0.02 1.10 -2.30 0.00 0.00 0.00 175.76 174.63 1d3u n PRO 98 N 0.67 0.75 -3.56 0.00 -0.02 -1.26 -4.96 135.00 126.62 1d3u n PRO 98 Ca 0.01 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.35 1d3u n PRO 98 Cb 0.48 -1.74 -0.11 0.00 -0.02 0.00 0.00 33.50 32.12 1d3u n PRO 98 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1d3u s GLN 99 N -0.19 3.05 -0.17 -0.52 0.74 -0.88 -4.97 119.66 116.72 1d3u s GLN 99 Ca 0.79 -0.94 -0.06 0.00 0.05 0.00 0.00 55.36 55.20 1d3u s GLN 99 Cb -0.98 -3.79 -0.04 0.00 1.10 0.00 0.00 33.01 29.31 1d3u s GLN 99 CO 0.53 -0.63 0.03 0.42 -0.55 0.00 0.00 175.29 175.09 1d3u s ILE 100 N 1.63 4.47 -0.10 -2.34 1.01 -1.26 -1.07 121.20 123.54 1d3u s ILE 100 Ca 0.04 -0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.55 1d3u s ILE 100 Cb -0.18 -3.00 0.02 0.00 0.01 0.00 0.00 42.46 39.31 1d3u s ILE 100 CO 0.08 0.47 -0.11 -1.81 0.00 0.00 0.00 174.94 173.57 1d3u s ASP 101 N 0.40 2.08 -0.24 3.58 1.01 0.45 -4.99 116.67 118.95 1d3u s ASP 101 Ca 0.01 -0.33 -0.29 0.00 0.71 0.00 0.00 52.55 52.65 1d3u s ASP 101 Cb -0.13 -0.88 -0.00 0.00 1.01 0.00 0.00 42.92 42.92 1d3u s ASP 101 CO 0.01 -0.04 1.24 -0.69 0.21 0.00 0.00 175.17 175.89 1d3u s VAL 102 N 1.22 4.29 -0.10 -1.27 1.01 -1.26 0.18 120.40 124.48 1d3u s VAL 102 Ca -0.04 1.52 0.21 0.00 0.00 0.00 0.00 61.98 63.67 1d3u s VAL 102 Cb -0.14 -4.13 -0.27 0.00 0.00 0.00 0.00 36.38 31.84 1d3u s VAL 102 CO -0.03 -0.30 0.46 0.00 0.00 0.00 0.00 175.10 175.23 1d3u n GLN 103 N 6.87 0.66 -3.59 2.72 1.13 0.25 -4.93 117.38 120.49 1d3u n GLN 103 Ca 0.14 -0.08 -0.11 0.00 -1.94 0.00 0.00 57.00 55.01 1d3u n GLN 103 Cb 0.46 -1.57 -0.06 0.00 0.11 0.00 0.00 30.24 29.18 1d3u n GLN 103 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1d3u s ASN 104 N -4.95 -0.42 0.09 1.08 2.47 -1.03 -4.77 114.94 107.40 1d3u s ASN 104 Ca -0.07 0.58 0.05 0.00 0.42 0.00 0.00 52.86 53.83 1d3u s ASN 104 Cb 0.11 0.51 -0.03 0.00 -1.45 0.00 0.00 41.25 40.39 1d3u s ASN 104 CO 0.87 -0.30 -0.12 -0.04 -3.72 0.00 0.00 177.10 173.79 1d3u s MET 105 N -0.67 0.85 -0.09 0.43 -1.94 0.10 -0.42 119.30 117.57 1d3u s MET 105 Ca -0.01 -1.07 0.01 0.00 -1.71 0.00 0.00 55.69 52.91 1d3u s MET 105 Cb -0.02 -0.70 0.02 0.00 2.01 0.00 0.00 34.83 36.14 1d3u s MET 105 CO -0.00 0.13 -0.12 0.08 -0.01 0.00 0.00 175.02 175.10 1d3u s VAL 106 N -1.89 1.18 0.10 -6.03 1.01 -0.36 -2.57 120.40 111.84 1d3u s VAL 106 Ca 0.02 -0.46 0.10 0.00 0.00 0.00 0.00 61.98 61.64 1d3u s VAL 106 Cb -0.06 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1d3u s VAL 106 CO 0.01 0.37 -0.26 -0.36 0.00 0.00 0.00 175.10 174.87 1d3u s PHE 107 N 0.99 2.35 0.26 5.22 0.40 0.11 -0.16 117.98 127.16 1d3u s PHE 107 Ca -0.08 -0.37 0.10 0.00 -0.60 0.00 0.00 56.93 55.97 1d3u s PHE 107 Cb -0.15 -1.31 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 1d3u s PHE 107 CO -0.00 0.29 -0.02 -1.54 0.70 0.00 0.00 175.22 174.64 1d3u s SER 108 N -1.83 4.47 0.10 1.36 1.04 -0.66 -0.33 113.70 117.87 1d3u s SER 108 Ca 0.14 -0.66 -0.13 0.00 0.48 0.00 0.00 55.95 55.78 1d3u s SER 108 Cb -0.10 -0.81 0.05 0.00 0.10 0.00 0.00 66.02 65.26 1d3u s SER 108 CO 0.05 0.01 0.64 0.61 0.98 0.00 0.00 173.24 175.54 1d3u n GLY 109 N -0.80 0.84 2.93 7.32 0.00 -0.02 -0.60 105.19 114.86 1d3u n GLY 109 Ca -0.07 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 1d3u n GLY 109 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1d3u s ASP 110 N -2.51 -0.11 0.14 1.61 -1.08 -0.60 -1.15 116.67 112.97 1d3u s ASP 110 Ca 0.14 0.29 0.14 0.00 -0.52 0.00 0.00 52.55 52.60 1d3u s ASP 110 Cb -0.02 0.19 -0.09 0.00 -1.46 0.00 0.00 42.92 41.55 1d3u s ASP 110 CO 0.03 -0.14 1.12 0.40 0.52 0.00 0.00 175.17 177.11 1d3u h ILE 111 N 5.93 0.91 0.00 4.11 2.04 -0.95 -2.40 117.51 127.16 1d3u h ILE 111 Ca -0.41 -2.44 0.00 0.00 1.00 0.00 0.00 64.86 63.01 1d3u h ILE 111 Cb 1.15 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 39.61 1d3u h ILE 111 CO 0.43 0.52 0.00 0.61 0.00 0.00 0.00 178.15 179.71 1d3u n GLY 112 N 1.34 0.94 3.34 5.37 0.00 -1.26 -3.96 105.19 110.96 1d3u n GLY 112 Ca -0.04 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 1d3u n GLY 112 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1d3u s ARG 113 N -0.88 1.12 0.40 1.61 1.70 -1.26 -5.08 118.95 116.56 1d3u s ARG 113 Ca 0.00 -0.65 -0.00 0.00 -0.47 0.00 0.00 55.73 54.61 1d3u s ARG 113 Cb 0.00 0.50 -0.02 0.00 -0.57 0.00 0.00 34.95 34.86 1d3u s ARG 113 CO 0.00 -0.45 0.63 -1.21 -1.08 0.00 0.00 175.30 173.18 1d3u s GLU 114 N -3.79 3.32 0.04 3.89 2.02 -1.26 -3.49 118.70 119.43 1d3u s GLU 114 Ca 0.02 -0.34 0.03 0.00 0.02 0.00 0.00 54.97 54.70 1d3u s GLU 114 Cb 0.01 -2.59 -0.02 0.00 0.10 0.00 0.00 34.13 31.63 1d3u s GLU 114 CO -0.12 -0.06 -0.08 -0.06 0.02 0.00 0.00 175.26 174.95 1d3u s PHE 115 N -2.46 0.73 -0.56 1.61 0.40 -0.16 -4.90 117.98 112.64 1d3u s PHE 115 Ca 0.44 -0.48 -0.20 0.00 -0.60 0.00 0.00 56.93 56.09 1d3u s PHE 115 Cb -0.10 -0.43 0.07 0.00 0.51 0.00 0.00 43.02 43.07 1d3u s PHE 115 CO 0.38 -0.06 0.73 1.21 0.70 0.00 0.00 175.22 178.18 1d3u s ASN 116 N -1.54 6.21 0.42 1.36 3.84 -1.26 -4.53 114.94 119.45 1d3u s ASN 116 Ca -0.09 -1.05 0.11 0.00 0.21 0.00 0.00 52.86 52.05 1d3u s ASN 116 Cb -0.10 -2.33 0.96 0.00 -0.55 0.00 0.00 41.25 39.24 1d3u s ASN 116 CO 0.01 -1.09 2.00 -0.07 -2.79 0.00 0.00 177.10 175.16 1d3u h LEU 117 N 10.17 0.42 -0.60 3.21 3.38 -1.95 -0.27 115.31 129.66 1d3u h LEU 117 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1d3u h LEU 117 Cb 1.09 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1d3u h LEU 117 CO 1.06 0.27 0.40 0.44 0.09 0.00 0.00 178.44 180.69 1d3u h ASP 118 N 0.47 0.70 -0.22 -0.43 3.32 -1.99 -0.07 116.42 118.20 1d3u h ASP 118 Ca 0.25 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 1d3u h ASP 118 Cb 0.36 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1d3u h ASP 118 CO -0.07 0.51 -0.11 0.58 -1.72 0.00 0.00 179.24 178.43 1d3u h VAL 119 N 0.82 1.31 -0.72 -1.35 2.07 -1.76 -2.92 116.25 113.70 1d3u h VAL 119 Ca 0.22 -1.19 0.07 0.00 0.82 0.00 0.00 66.70 66.62 1d3u h VAL 119 Cb -0.09 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 1d3u h VAL 119 CO -0.05 0.36 0.40 0.58 0.02 0.00 0.00 177.57 178.89 1d3u h VAL 120 N 0.16 0.96 0.00 2.57 2.07 -0.82 -1.83 116.25 119.36 1d3u h VAL 120 Ca 0.05 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1d3u h VAL 120 Cb 0.61 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1d3u h VAL 120 CO 0.03 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.76 1d3u n ALA 121 N -2.36 1.55 -0.12 1.67 0.00 -0.06 -1.36 120.51 119.83 1d3u n ALA 121 Ca 0.10 0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.53 1d3u n ALA 121 Cb 0.19 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.30 1d3u n ALA 121 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1d3u h LEU 122 N 0.00 0.93 0.00 0.00 5.85 -1.13 -3.38 115.31 117.58 1d3u h LEU 122 Ca 0.00 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1d3u h LEU 122 Cb 0.30 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1d3u h LEU 122 CO 0.00 1.14 -0.49 0.35 -0.34 0.00 0.00 178.44 179.10 1d3u n THR 123 N -4.09 0.00 -1.99 1.05 -2.24 -1.13 -5.01 114.28 100.87 1d3u n THR 123 Ca -0.01 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 1d3u n THR 123 Cb 0.48 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 69.42 1d3u n THR 123 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1d3u s LEU 124 N -2.40 4.33 0.67 3.22 2.96 -0.46 -4.97 118.68 122.03 1d3u s LEU 124 Ca 0.00 2.29 -0.11 0.00 -0.22 0.00 0.00 54.13 56.09 1d3u s LEU 124 Cb 0.00 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.14 1d3u s LEU 124 CO 0.00 -0.91 1.05 -2.16 -1.32 0.00 0.00 176.35 173.02 1d3u s PRO 125 N 3.68 3.13 -1.46 0.98 0.04 -1.26 -3.96 135.00 136.15 1d3u s PRO 125 Ca 0.73 0.78 -0.09 0.00 0.04 0.00 0.00 61.00 62.47 1d3u s PRO 125 Cb -0.35 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.21 1d3u s PRO 125 CO 0.30 -0.92 0.79 0.09 0.04 0.00 0.00 177.00 177.31 1d3u n ASN 126 N -2.98 -5.44 -4.32 6.66 3.02 -1.26 -4.79 115.26 106.14 1d3u n ASN 126 Ca 0.07 -0.47 -0.17 0.00 -0.03 0.00 0.00 54.58 53.98 1d3u n ASN 126 Cb 0.54 -4.37 -0.10 0.00 -0.61 0.00 0.00 39.78 35.25 1d3u n ASN 126 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1d3u s GLU 128 N -3.70 0.69 -0.23 0.00 2.02 -0.36 -4.97 118.70 112.14 1d3u s GLU 128 Ca 0.22 -0.73 -0.03 0.00 0.02 0.00 0.00 54.97 54.45 1d3u s GLU 128 Cb 0.01 -0.60 0.12 0.00 0.10 0.00 0.00 34.13 33.76 1d3u s GLU 128 CO 0.06 0.14 0.32 -0.47 0.02 0.00 0.00 175.26 175.32 1d3u s TYR 129 N -1.06 -0.61 -0.48 1.61 5.04 -1.26 -0.63 117.35 119.97 1d3u s TYR 129 Ca -0.04 0.57 0.05 0.00 -2.44 0.00 0.00 57.07 55.21 1d3u s TYR 129 Cb -0.08 -0.14 0.18 0.00 0.35 0.00 0.00 41.96 42.27 1d3u s TYR 129 CO 0.01 -0.69 0.40 -1.91 -1.34 0.00 0.00 175.55 172.03 1d3u n GLU 130 N 5.35 0.64 0.12 4.97 4.07 -1.26 -4.99 120.64 129.53 1d3u n GLU 130 Ca -0.04 -3.49 0.06 0.00 -0.06 0.00 0.00 57.16 53.63 1d3u n GLU 130 Cb 0.50 -1.77 0.33 0.00 -0.06 0.00 0.00 31.44 30.44 1d3u n GLU 130 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1d3u n PRO 131 N 2.46 0.08 0.05 5.31 -0.04 -1.18 -0.10 135.00 141.58 1d3u n PRO 131 Ca 0.27 0.54 0.13 0.00 -0.04 0.00 0.00 63.50 64.40 1d3u n PRO 131 Cb 0.46 -1.91 0.39 0.00 -0.04 0.00 0.00 33.50 32.40 1d3u n PRO 131 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1d3u n GLU 132 N -1.93 0.16 0.00 0.54 4.07 -1.26 -4.19 120.64 118.04 1d3u n GLU 132 Ca -0.01 0.10 0.00 0.00 -0.06 0.00 0.00 57.16 57.19 1d3u n GLU 132 Cb 0.16 -1.66 0.00 0.00 -0.06 0.00 0.00 31.44 29.89 1d3u n GLU 132 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1d3u n GLN 133 N -1.92 2.86 -3.64 5.31 6.02 0.85 -5.08 117.38 121.79 1d3u n GLN 133 Ca 0.05 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.90 1d3u n GLN 133 Cb 0.40 -0.98 -0.08 0.00 1.02 0.00 0.00 30.24 30.60 1d3u n GLN 133 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1d3u s PHE 134 N -1.96 -0.68 -0.22 1.08 5.36 -0.26 -5.08 117.98 116.23 1d3u s PHE 134 Ca 0.00 1.57 0.28 0.00 -0.96 0.00 0.00 56.93 57.83 1d3u s PHE 134 Cb 0.00 0.26 0.93 0.00 -0.34 0.00 0.00 43.02 43.87 1d3u s PHE 134 CO 0.00 -0.38 1.81 -1.00 -1.46 0.00 0.00 175.22 174.19 1d3u h PRO 135 N 4.76 0.00 -6.20 10.12 0.13 -1.83 -3.11 132.00 135.87 1d3u h PRO 135 Ca -0.28 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.35 1d3u h PRO 135 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1d3u h PRO 135 CO 0.16 0.00 -0.51 0.20 -0.23 0.00 0.00 178.00 177.62 1d3u s GLY 136 N -4.07 1.46 0.24 1.56 0.00 -1.26 -4.65 107.32 100.60 1d3u s GLY 136 Ca 0.04 -1.45 -0.30 0.00 0.00 0.00 0.00 44.72 43.02 1d3u s GLY 136 CO 0.57 -1.47 0.97 0.14 0.00 0.00 0.00 173.10 173.31 1d3u s VAL 137 N -2.15 4.00 -0.35 1.40 1.01 0.88 -4.58 120.40 120.60 1d3u s VAL 137 Ca 0.34 1.99 -0.08 0.00 0.00 0.00 0.00 61.98 64.23 1d3u s VAL 137 Cb -0.08 -4.27 0.03 0.00 0.00 0.00 0.00 36.38 32.07 1d3u s VAL 137 CO 0.25 0.46 0.15 -0.63 0.00 0.00 0.00 175.10 175.34 1d3u s ILE 138 N -1.10 4.13 -0.25 2.22 1.01 0.20 -0.86 121.20 126.56 1d3u s ILE 138 Ca 0.42 -0.99 -0.06 0.00 0.00 0.00 0.00 60.65 60.02 1d3u s ILE 138 Cb -0.27 -3.32 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 1d3u s ILE 138 CO 0.33 -0.19 0.04 -0.47 0.00 0.00 0.00 174.94 174.65 1d3u s TYR 139 N 1.47 3.07 -0.28 3.97 5.04 0.30 -1.23 117.35 129.68 1d3u s TYR 139 Ca 0.00 -0.76 -0.10 0.00 -2.44 0.00 0.00 57.07 53.78 1d3u s TYR 139 Cb -0.19 -2.20 -0.03 0.00 0.35 0.00 0.00 41.96 39.89 1d3u s TYR 139 CO 0.04 -0.49 0.15 1.03 -1.34 0.00 0.00 175.55 174.95 1d3u s ARG 140 N 1.54 3.65 -0.23 4.97 0.52 -0.25 -0.38 118.95 128.78 1d3u s ARG 140 Ca 0.05 -0.51 -0.10 0.00 -0.52 0.00 0.00 55.73 54.66 1d3u s ARG 140 Cb -0.15 -3.55 -0.05 0.00 0.52 0.00 0.00 34.95 31.72 1d3u s ARG 140 CO 0.01 -0.27 0.14 0.08 0.02 0.00 0.00 175.30 175.28 1d3u s VAL 141 N 1.67 5.20 0.13 3.52 1.01 -0.12 -4.82 120.40 126.99 1d3u s VAL 141 Ca 0.06 0.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.06 1d3u s VAL 141 Cb -0.16 -3.41 -0.10 0.00 0.00 0.00 0.00 36.38 32.71 1d3u s VAL 141 CO 0.07 0.37 1.39 0.11 0.00 0.00 0.00 175.10 177.05 1d3u h LYS 142 N 7.35 0.82 -2.79 2.72 6.56 -1.96 -1.45 116.57 127.82 1d3u h LYS 142 Ca -0.38 -0.56 -0.19 0.00 -1.06 0.00 0.00 60.65 58.46 1d3u h LYS 142 Cb 1.17 0.08 -0.31 0.00 -0.57 0.00 0.00 32.23 32.60 1d3u h LYS 142 CO 0.67 1.18 -0.49 -1.21 -2.06 0.00 0.00 179.45 177.54 1d3u s GLU 143 N -4.01 0.19 0.35 3.15 2.02 -1.26 -2.00 118.70 117.14 1d3u s GLU 143 Ca -0.10 0.80 -0.28 0.00 0.02 0.00 0.00 54.97 55.42 1d3u s GLU 143 Cb 0.10 0.04 -0.09 0.00 0.10 0.00 0.00 34.13 34.28 1d3u s GLU 143 CO 0.89 -0.27 1.23 -1.25 0.02 0.00 0.00 175.26 175.89 1d3u s PRO 144 N 2.39 4.27 -0.25 0.39 0.04 -1.26 -4.87 135.00 135.71 1d3u s PRO 144 Ca -0.00 2.04 -0.31 0.00 0.04 0.00 0.00 61.00 62.77 1d3u s PRO 144 Cb -0.12 -2.95 -0.08 0.00 0.04 0.00 0.00 34.50 31.40 1d3u s PRO 144 CO -0.10 -0.20 2.19 1.17 0.04 0.00 0.00 177.00 180.11 1d3u n LYS 145 N 0.58 1.68 -3.84 4.56 4.81 -0.85 -4.79 118.16 120.32 1d3u n LYS 145 Ca 0.01 0.47 -0.08 0.00 -0.87 0.00 0.00 58.31 57.85 1d3u n LYS 145 Cb 0.44 -2.94 0.00 0.00 0.02 0.00 0.00 35.03 32.55 1d3u n LYS 145 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1d3u s SER 146 N 7.70 -0.10 -0.03 3.14 1.04 -0.55 -4.20 113.70 120.70 1d3u s SER 146 Ca 1.03 -0.92 0.02 0.00 0.48 0.00 0.00 55.95 56.56 1d3u s SER 146 Cb -0.54 0.80 0.01 0.00 0.10 0.00 0.00 66.02 66.39 1d3u s SER 146 CO 0.41 -1.54 -0.09 -0.69 0.98 0.00 0.00 173.24 172.32 1d3u s VAL 147 N -3.02 0.79 -0.10 5.02 1.01 -0.35 -0.95 120.40 122.80 1d3u s VAL 147 Ca 0.14 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1d3u s VAL 147 Cb -0.05 -0.72 -0.00 0.00 0.00 0.00 0.00 36.38 35.60 1d3u s VAL 147 CO 0.10 0.26 -0.22 -0.63 0.00 0.00 0.00 175.10 174.60 1d3u s ILE 148 N 0.35 2.26 -0.25 2.22 1.01 0.49 -1.22 121.20 126.06 1d3u s ILE 148 Ca -0.06 -0.96 -0.10 0.00 0.00 0.00 0.00 60.65 59.54 1d3u s ILE 148 Cb -0.10 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 1d3u s ILE 148 CO 0.01 0.56 0.14 -0.76 0.00 0.00 0.00 174.94 174.88 1d3u s LEU 149 N 0.27 3.93 -0.17 2.97 1.43 0.12 -0.54 118.68 126.69 1d3u s LEU 149 Ca -0.15 0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1d3u s LEU 149 Cb -0.17 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 1d3u s LEU 149 CO 0.08 0.03 -0.09 -0.22 0.23 0.00 0.00 176.35 176.37 1d3u s LEU 150 N 1.28 2.79 0.28 1.79 2.96 -0.03 -1.28 118.68 126.46 1d3u s LEU 150 Ca 0.07 -0.36 0.07 0.00 -0.22 0.00 0.00 54.13 53.69 1d3u s LEU 150 Cb -0.14 -1.67 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 1d3u s LEU 150 CO 0.06 0.08 0.24 -0.36 -1.32 0.00 0.00 176.35 175.05 1d3u s PHE 151 N 0.87 3.04 0.54 5.38 0.40 -0.70 -0.08 117.98 127.43 1d3u s PHE 151 Ca -0.02 -0.18 0.24 0.00 -0.60 0.00 0.00 56.93 56.36 1d3u s PHE 151 Cb -0.15 -1.57 1.54 0.00 0.51 0.00 0.00 43.02 43.36 1d3u s PHE 151 CO 0.00 0.38 2.18 0.66 0.70 0.00 0.00 175.22 179.15 1d3u h SER 152 N 1.38 0.00 0.73 1.36 4.64 -1.82 -0.39 113.55 119.44 1d3u h SER 152 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1d3u h SER 152 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1d3u h SER 152 CO 0.60 0.03 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 1d3u n SER 153 N -4.09 0.17 0.00 4.97 3.41 -1.26 -0.98 113.62 115.83 1d3u n SER 153 Ca -0.03 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1d3u n SER 153 Cb 0.11 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 1d3u n SER 153 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d3u n GLY 154 N 0.45 0.69 3.81 5.00 0.00 -0.16 -4.31 105.19 110.67 1d3u n GLY 154 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1d3u n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d3u s LYS 155 N -0.75 3.21 0.06 1.61 3.01 -1.26 -0.29 119.74 125.34 1d3u s LYS 155 Ca 0.00 1.10 -0.04 0.00 -1.01 0.00 0.00 55.97 56.02 1d3u s LYS 155 Cb 0.00 -2.02 -0.02 0.00 -1.01 0.00 0.00 37.83 34.77 1d3u s LYS 155 CO 0.00 -0.89 0.06 0.96 0.51 0.00 0.00 175.35 175.98 1d3u s ILE 156 N -2.68 0.19 -0.07 2.17 -4.36 -0.30 -1.72 121.20 114.44 1d3u s ILE 156 Ca 0.61 -1.56 0.00 0.00 -0.26 0.00 0.00 60.65 59.45 1d3u s ILE 156 Cb -0.15 -1.44 0.02 0.00 1.25 0.00 0.00 42.46 42.14 1d3u s ILE 156 CO 0.43 -0.86 -0.05 -0.69 0.24 0.00 0.00 174.94 174.01 1d3u s VAL 157 N -3.87 0.67 -0.16 8.37 1.01 -0.41 -0.84 120.40 125.17 1d3u s VAL 157 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1d3u s VAL 157 Cb 0.07 -0.71 -0.00 0.00 0.00 0.00 0.00 36.38 35.73 1d3u s VAL 157 CO -0.10 0.28 -0.15 0.00 0.00 0.00 0.00 175.10 175.13 1d3u s SER 159 N 0.81 2.29 0.00 0.00 0.01 -0.36 0.08 113.70 116.54 1d3u s SER 159 Ca -0.05 -0.84 0.00 0.00 1.31 0.00 0.00 55.95 56.37 1d3u s SER 159 Cb -0.15 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1d3u s SER 159 CO -0.00 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.16 1d3u n GLY 160 N 0.42 2.66 3.80 3.44 0.00 -1.06 -1.22 105.19 113.23 1d3u n GLY 160 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1d3u n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d3u s ALA 161 N -2.33 2.64 -2.07 4.61 0.00 -1.26 -4.71 121.76 118.65 1d3u s ALA 161 Ca 0.00 0.36 0.22 0.00 0.00 0.00 0.00 51.96 52.54 1d3u s ALA 161 Cb 0.00 -3.24 0.52 0.00 0.00 0.00 0.00 23.12 20.40 1d3u s ALA 161 CO 0.00 -1.04 1.44 1.63 0.00 0.00 0.00 175.76 177.80 1d3u n LYS 162 N -2.40 2.60 -3.50 0.00 5.02 -1.26 -0.72 118.16 117.90 1d3u n LYS 162 Ca 0.09 -2.44 -0.09 0.00 -2.02 0.00 0.00 58.31 53.86 1d3u n LYS 162 Cb 0.53 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 34.00 1d3u n LYS 162 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1d3u s SER 163 N -1.19 -0.37 0.28 4.39 1.04 -1.26 -4.90 113.70 111.69 1d3u s SER 163 Ca 0.42 0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.88 1d3u s SER 163 Cb 0.23 0.39 0.42 0.00 0.10 0.00 0.00 66.02 67.15 1d3u s SER 163 CO 0.31 -0.61 1.77 -0.08 0.98 0.00 0.00 173.24 175.60 1d3u h GLU 164 N 2.03 0.63 -0.68 4.02 4.81 -1.99 -1.28 114.58 122.13 1d3u h GLU 164 Ca -0.22 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 58.84 1d3u h GLU 164 Cb 1.24 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 1d3u h GLU 164 CO 0.31 0.71 0.44 0.00 -0.73 0.00 0.00 179.01 179.74 1d3u h ALA 165 N 1.32 0.87 -0.26 2.92 0.00 -1.99 -0.49 119.26 121.63 1d3u h ALA 165 Ca 0.11 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1d3u h ALA 165 Cb 0.50 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1d3u h ALA 165 CO 0.03 0.25 -0.35 -0.44 0.00 0.00 0.00 179.25 178.74 1d3u h ASP 166 N 0.89 0.75 -0.85 0.00 3.45 -1.86 -2.75 116.42 116.04 1d3u h ASP 166 Ca 0.26 -0.50 0.08 0.00 0.43 0.00 0.00 57.03 57.30 1d3u h ASP 166 Cb -0.06 -0.21 -0.07 0.00 -0.56 0.00 0.00 39.33 38.43 1d3u h ASP 166 CO -0.07 1.11 0.51 0.00 -1.57 0.00 0.00 179.24 179.21 1d3u h ALA 167 N 0.67 1.20 -0.08 3.45 0.00 -0.82 0.11 119.26 123.78 1d3u h ALA 167 Ca 0.03 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1d3u h ALA 167 Cb 0.93 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1d3u h ALA 167 CO 0.08 0.18 -0.23 -1.49 0.00 0.00 0.00 179.25 177.79 1d3u h TRP 168 N 0.88 0.15 -0.00 0.00 4.06 -1.07 0.19 115.95 120.15 1d3u h TRP 168 Ca 0.40 -0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.32 1d3u h TRP 168 Cb 0.29 -0.04 -0.00 0.00 -1.00 0.00 0.00 29.16 28.41 1d3u h TRP 168 CO -0.04 0.37 0.00 1.49 -3.56 0.00 0.00 178.44 176.70 1d3u h GLU 169 N 0.13 0.01 -0.60 0.49 4.81 -0.54 -0.75 114.58 118.12 1d3u h GLU 169 Ca 0.02 -0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.34 1d3u h GLU 169 Cb 0.49 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.80 1d3u h GLU 169 CO 0.03 0.19 0.23 0.00 -0.73 0.00 0.00 179.01 178.73 1d3u h ALA 170 N 0.82 0.78 -0.62 2.92 0.00 -0.31 -1.21 119.26 121.64 1d3u h ALA 170 Ca 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1d3u h ALA 170 Cb 0.18 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1d3u h ALA 170 CO -0.00 -0.19 0.10 0.28 0.00 0.00 0.00 179.25 179.45 1d3u h VAL 171 N 0.41 1.26 -0.66 0.00 2.07 -0.87 -1.63 116.25 116.83 1d3u h VAL 171 Ca 0.30 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.84 1d3u h VAL 171 Cb 0.37 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 1d3u h VAL 171 CO -0.30 0.37 0.41 -0.09 0.02 0.00 0.00 177.57 177.99 1d3u h ARG 172 N 0.94 0.79 -0.14 1.57 2.43 -0.40 0.13 114.38 119.70 1d3u h ARG 172 Ca 0.19 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1d3u h ARG 172 Cb 0.43 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1d3u h ARG 172 CO 0.01 0.52 0.09 0.87 -1.51 0.00 0.00 179.97 179.96 1d3u h LYS 173 N 0.81 0.19 -0.24 0.20 1.57 -0.91 -0.20 116.57 117.99 1d3u h LYS 173 Ca 0.27 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.07 1d3u h LYS 173 Cb 0.01 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 1d3u h LYS 173 CO -0.10 0.13 -0.01 1.25 -0.57 0.00 0.00 179.45 180.15 1d3u h LEU 174 N 0.19 -0.11 -0.58 2.94 5.85 -0.48 -0.89 115.31 122.23 1d3u h LEU 174 Ca 0.05 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.89 1d3u h LEU 174 Cb -0.01 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1d3u h LEU 174 CO -0.01 -0.02 0.27 -0.07 -0.34 0.00 0.00 178.44 178.27 1d3u h LEU 175 N 0.07 0.35 -1.06 2.25 3.38 -0.58 0.64 115.31 120.35 1d3u h LEU 175 Ca 0.11 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1d3u h LEU 175 Cb 0.15 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1d3u h LEU 175 CO -0.20 0.23 0.44 0.03 0.09 0.00 0.00 178.44 179.03 1d3u h ARG 176 N 0.50 1.09 -0.17 1.13 3.08 -0.35 -2.59 114.38 117.08 1d3u h ARG 176 Ca 0.27 -0.12 -0.19 0.00 0.07 0.00 0.00 59.98 60.02 1d3u h ARG 176 Cb 0.24 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1d3u h ARG 176 CO -0.22 0.79 -0.65 0.93 -1.07 0.00 0.00 179.97 179.75 1d3u h GLU 177 N 1.10 0.62 0.00 0.04 4.39 -0.13 -2.76 114.58 117.85 1d3u h GLU 177 Ca 0.28 -0.45 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1d3u h GLU 177 Cb 0.01 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1d3u h GLU 177 CO -0.05 1.07 0.00 -0.07 -1.16 0.00 0.00 179.01 178.80 1d3u h LEU 178 N 0.45 0.00 -0.01 1.33 3.38 -0.57 -2.04 115.31 117.85 1d3u h LEU 178 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1d3u h LEU 178 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1d3u h LEU 178 CO 0.13 0.00 -0.37 -0.67 0.09 0.00 0.00 178.44 177.62 1d3u n ASP 179 N -2.86 0.38 -4.81 -0.43 4.64 -1.01 -4.92 116.55 107.55 1d3u n ASP 179 Ca -0.02 -0.08 -0.32 0.00 -1.38 0.00 0.00 54.79 53.00 1d3u n ASP 179 Cb 0.12 0.06 0.04 0.00 -1.04 0.00 0.00 41.12 40.30 1d3u n ASP 179 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1d3u s LYS 180 N -2.99 3.01 0.00 -0.67 -0.14 -0.77 -5.12 119.74 113.06 1d3u s LYS 180 Ca 0.12 1.07 0.00 0.00 -1.36 0.00 0.00 55.97 55.80 1d3u s LYS 180 Cb 0.18 -2.00 0.00 0.00 -1.68 0.00 0.00 37.83 34.33 1d3u s LYS 180 CO 0.65 -1.05 0.00 2.48 -0.76 0.00 0.00 175.35 176.68