#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d5m s HIS 5 N 0.00 -0.08 -0.06 4.31 3.76 -1.26 -5.10 115.29 116.87 1d5m s HIS 5 Ca 0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 55.06 54.88 1d5m s HIS 5 Cb 0.00 0.07 0.02 0.00 1.11 0.00 0.00 32.58 33.78 1d5m s HIS 5 CO 0.00 -0.46 -0.04 0.08 -0.85 0.00 0.00 174.74 173.47 1d5m s VAL 6 N -2.33 0.53 -0.15 -0.90 1.01 -1.26 -5.03 120.40 112.28 1d5m s VAL 6 Ca -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 1d5m s VAL 6 Cb -0.02 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.76 1d5m s VAL 6 CO -0.02 0.25 -0.13 -0.63 0.00 0.00 0.00 175.10 174.57 1d5m s ILE 7 N 1.26 2.93 -0.08 2.22 1.01 -1.26 -1.22 121.20 126.06 1d5m s ILE 7 Ca -0.06 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 59.94 1d5m s ILE 7 Cb -0.14 -2.25 0.01 0.00 0.01 0.00 0.00 42.46 40.09 1d5m s ILE 7 CO -0.02 0.51 -0.16 -0.63 0.00 0.00 0.00 174.94 174.63 1d5m s ILE 8 N 0.71 1.49 -0.46 2.92 1.01 0.61 -4.95 121.20 122.52 1d5m s ILE 8 Ca -0.06 -0.68 -0.16 0.00 0.00 0.00 0.00 60.65 59.75 1d5m s ILE 8 Cb -0.15 -1.33 0.06 0.00 0.01 0.00 0.00 42.46 41.05 1d5m s ILE 8 CO 0.02 0.43 0.42 -1.58 0.00 0.00 0.00 174.94 174.23 1d5m s GLN 9 N 0.63 3.01 -0.05 2.79 0.74 -1.26 0.34 119.66 125.85 1d5m s GLN 9 Ca -0.14 -1.18 -0.00 0.00 0.05 0.00 0.00 55.36 54.08 1d5m s GLN 9 Cb -0.16 -4.09 -0.03 0.00 1.10 0.00 0.00 33.01 29.82 1d5m s GLN 9 CO 0.04 -1.00 -0.01 0.00 -0.55 0.00 0.00 175.29 173.77 1d5m s ALA 10 N 1.84 3.22 0.05 1.58 0.00 0.49 -4.96 121.76 123.97 1d5m s ALA 10 Ca 0.07 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 1d5m s ALA 10 Cb -0.22 -1.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 1d5m s ALA 10 CO 0.09 0.61 -0.04 -1.21 0.00 0.00 0.00 175.76 175.20 1d5m s GLU 11 N -1.10 0.57 -0.03 0.00 2.02 -1.26 -1.13 118.70 117.77 1d5m s GLU 11 Ca 0.15 -1.06 -0.30 0.00 0.02 0.00 0.00 54.97 53.78 1d5m s GLU 11 Cb -0.11 0.09 0.07 0.00 0.10 0.00 0.00 34.13 34.28 1d5m s GLU 11 CO 0.05 -0.07 0.69 -0.59 0.02 0.00 0.00 175.26 175.36 1d5m s PHE 12 N -3.11 -0.62 -0.03 1.61 -0.12 -0.86 -4.96 117.98 109.88 1d5m s PHE 12 Ca 0.01 0.99 0.01 0.00 -0.05 0.00 0.00 56.93 57.89 1d5m s PHE 12 Cb 0.02 0.43 0.02 0.00 -0.63 0.00 0.00 43.02 42.86 1d5m s PHE 12 CO -0.06 -0.62 -0.02 -0.47 -0.05 0.00 0.00 175.22 174.00 1d5m s TYR 13 N -1.52 0.42 -0.07 3.49 5.04 -1.26 -1.51 117.35 121.94 1d5m s TYR 13 Ca -0.09 -0.06 0.05 0.00 -2.44 0.00 0.00 57.07 54.53 1d5m s TYR 13 Cb -0.00 -0.43 -0.01 0.00 0.35 0.00 0.00 41.96 41.88 1d5m s TYR 13 CO 0.06 -0.11 -0.25 -1.17 -1.34 0.00 0.00 175.55 172.74 1d5m s LEU 14 N 0.74 2.07 0.12 6.97 2.96 0.83 -4.96 118.68 127.41 1d5m s LEU 14 Ca -0.08 -0.53 0.08 0.00 -0.22 0.00 0.00 54.13 53.38 1d5m s LEU 14 Cb -0.11 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 1d5m s LEU 14 CO -0.01 0.22 -0.11 0.20 -1.32 0.00 0.00 176.35 175.32 1d5m s ASN 15 N 0.01 4.27 0.00 3.68 0.01 -1.26 0.48 114.94 122.13 1d5m s ASN 15 Ca -0.09 -0.46 0.11 0.00 -0.71 0.00 0.00 52.86 51.71 1d5m s ASN 15 Cb -0.15 -0.76 0.39 0.00 0.41 0.00 0.00 41.25 41.13 1d5m s ASN 15 CO 0.05 0.16 1.29 -0.81 -1.51 0.00 0.00 177.10 176.29 1d5m n PRO 16 N 0.57 1.54 0.28 -0.60 -0.04 -1.26 -4.85 135.00 130.65 1d5m n PRO 16 Ca -0.13 -0.84 0.16 0.00 -0.04 0.00 0.00 63.50 62.64 1d5m n PRO 16 Cb 0.53 -1.23 0.83 0.00 -0.04 0.00 0.00 33.50 33.58 1d5m n PRO 16 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1d5m h ASP 17 N 1.44 0.00 -6.16 3.54 5.19 -2.01 -3.46 116.42 114.96 1d5m h ASP 17 Ca 0.00 0.00 -0.43 0.00 -0.62 0.00 0.00 57.03 55.98 1d5m h ASP 17 Cb 0.33 0.00 0.04 0.00 0.18 0.00 0.00 39.33 39.87 1d5m h ASP 17 CO 0.00 0.07 -0.84 0.00 -3.12 0.00 0.00 179.24 175.35 1d5m n GLN 18 N -3.44 -4.62 -4.35 3.56 6.02 0.18 -4.99 117.38 109.73 1d5m n GLN 18 Ca -0.02 0.58 -0.21 0.00 -0.01 0.00 0.00 57.00 57.34 1d5m n GLN 18 Cb 0.21 -5.06 -0.11 0.00 1.02 0.00 0.00 30.24 26.30 1d5m n GLN 18 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1d5m s SER 19 N -4.37 2.76 0.33 1.08 1.04 -1.07 -4.96 113.70 108.52 1d5m s SER 19 Ca 0.00 -0.92 -0.04 0.00 0.48 0.00 0.00 55.95 55.47 1d5m s SER 19 Cb -0.00 -0.17 0.02 0.00 0.10 0.00 0.00 66.02 65.97 1d5m s SER 19 CO 0.83 -0.06 0.50 0.61 0.98 0.00 0.00 173.24 176.10 1d5m n GLY 20 N 0.04 1.96 3.52 7.32 0.00 -1.26 -0.12 105.19 116.65 1d5m n GLY 20 Ca -0.11 -1.52 -0.16 0.00 0.00 0.00 0.00 46.02 44.23 1d5m n GLY 20 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1d5m s GLU 21 N -2.60 0.92 -0.05 1.61 2.12 -0.57 -4.96 118.70 115.17 1d5m s GLU 21 Ca 0.24 0.49 -0.02 0.00 0.36 0.00 0.00 54.97 56.05 1d5m s GLU 21 Cb -0.02 0.44 0.03 0.00 0.26 0.00 0.00 34.13 34.84 1d5m s GLU 21 CO 0.17 -0.22 0.05 0.12 -0.54 0.00 0.00 175.26 174.84 1d5m s PHE 22 N -0.58 0.19 0.14 5.30 5.36 -1.26 -2.03 117.98 125.10 1d5m s PHE 22 Ca -0.07 0.17 -0.14 0.00 -0.96 0.00 0.00 56.93 55.93 1d5m s PHE 22 Cb -0.02 -0.54 0.02 0.00 -0.34 0.00 0.00 43.02 42.14 1d5m s PHE 22 CO 0.06 -0.22 0.37 0.00 -1.46 0.00 0.00 175.22 173.98 1d5m s MET 23 N 2.10 1.10 -0.08 10.12 0.23 -0.28 -1.18 119.30 131.31 1d5m s MET 23 Ca 0.05 -0.85 0.02 0.00 -1.03 0.00 0.00 55.69 53.88 1d5m s MET 23 Cb -0.12 0.45 -0.03 0.00 -1.53 0.00 0.00 34.83 33.60 1d5m s MET 23 CO -0.03 -0.43 -0.11 -0.06 -2.03 0.00 0.00 175.02 172.36 1d5m s PHE 24 N -3.85 2.82 -0.03 3.16 0.40 -0.38 -0.38 117.98 119.73 1d5m s PHE 24 Ca 0.06 -0.18 0.06 0.00 -0.60 0.00 0.00 56.93 56.27 1d5m s PHE 24 Cb 0.02 -1.71 -0.01 0.00 0.51 0.00 0.00 43.02 41.82 1d5m s PHE 24 CO -0.08 0.16 -0.21 0.34 0.70 0.00 0.00 175.22 176.13 1d5m s ASP 25 N -0.51 2.50 -0.21 1.36 -1.08 0.15 -0.55 116.67 118.33 1d5m s ASP 25 Ca 0.07 -0.40 0.00 0.00 -0.52 0.00 0.00 52.55 51.71 1d5m s ASP 25 Cb -0.12 -0.43 0.05 0.00 -1.46 0.00 0.00 42.92 40.97 1d5m s ASP 25 CO 0.02 0.24 -0.05 0.12 0.52 0.00 0.00 175.17 176.02 1d5m s PHE 26 N -0.33 2.09 -1.49 -5.34 5.36 0.20 -0.29 117.98 118.18 1d5m s PHE 26 Ca 0.04 -1.49 -0.08 0.00 -0.96 0.00 0.00 56.93 54.43 1d5m s PHE 26 Cb -0.10 -1.46 0.06 0.00 -0.34 0.00 0.00 43.02 41.18 1d5m s PHE 26 CO 0.00 -0.72 0.71 -0.25 -1.46 0.00 0.00 175.22 173.51 1d5m n ASP 27 N 4.76 -2.40 0.00 6.13 8.00 -0.35 -1.20 116.55 131.49 1d5m n ASP 27 Ca -0.12 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.47 1d5m n ASP 27 Cb 0.45 -3.41 0.00 0.00 -0.02 0.00 0.00 41.12 38.14 1d5m n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1d5m n GLY 28 N -1.70 2.38 3.79 0.44 0.00 -1.26 -5.03 105.19 103.82 1d5m n GLY 28 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 1d5m n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1d5m s ASP 29 N -3.25 5.87 0.01 1.61 1.01 -0.34 -5.00 116.67 116.58 1d5m s ASP 29 Ca 0.00 0.32 -0.30 0.00 0.71 0.00 0.00 52.55 53.27 1d5m s ASP 29 Cb 0.00 -1.80 -0.05 0.00 1.01 0.00 0.00 42.92 42.09 1d5m s ASP 29 CO 0.00 0.39 1.23 -0.70 0.21 0.00 0.00 175.17 176.30 1d5m s GLU 30 N -1.00 4.38 -0.13 8.23 2.12 -1.26 0.61 118.70 131.65 1d5m s GLU 30 Ca 0.15 1.76 -0.18 0.00 0.36 0.00 0.00 54.97 57.07 1d5m s GLU 30 Cb -0.12 -3.46 -0.26 0.00 0.26 0.00 0.00 34.13 30.56 1d5m s GLU 30 CO 0.04 -0.38 0.51 0.82 -0.54 0.00 0.00 175.26 175.71 1d5m h ILE 31 N 4.75 1.06 -1.94 -3.70 2.04 -1.17 -3.41 117.51 115.14 1d5m h ILE 31 Ca -0.38 -2.35 0.23 0.00 1.00 0.00 0.00 64.86 63.35 1d5m h ILE 31 Cb 1.19 2.68 -0.11 0.00 -0.74 0.00 0.00 36.82 39.83 1d5m h ILE 31 CO 0.85 0.64 0.64 0.72 0.00 0.00 0.00 178.15 180.99 1d5m s PHE 32 N -2.44 -0.13 0.05 1.37 -0.12 -1.23 -1.03 117.98 114.45 1d5m s PHE 32 Ca -0.21 -0.06 -0.05 0.00 -0.05 0.00 0.00 56.93 56.55 1d5m s PHE 32 Cb 0.04 0.58 -0.02 0.00 -0.63 0.00 0.00 43.02 43.00 1d5m s PHE 32 CO 0.73 -0.54 0.09 -3.38 -0.05 0.00 0.00 175.22 172.06 1d5m s HIS 33 N -2.88 0.26 -0.17 3.49 -3.43 -0.95 -1.25 115.29 110.37 1d5m s HIS 33 Ca 0.12 -0.65 -0.14 0.00 -0.80 0.00 0.00 55.06 53.59 1d5m s HIS 33 Cb 0.01 -0.18 -0.05 0.00 -1.43 0.00 0.00 32.58 30.93 1d5m s HIS 33 CO -0.02 -0.40 0.29 0.08 -2.00 0.00 0.00 174.74 172.68 1d5m s VAL 34 N -3.14 5.31 -0.54 -5.38 1.01 -0.33 -1.03 120.40 116.30 1d5m s VAL 34 Ca -0.00 0.53 -0.25 0.00 0.00 0.00 0.00 61.98 62.26 1d5m s VAL 34 Cb 0.02 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.81 1d5m s VAL 34 CO -0.07 0.38 0.98 -0.62 0.00 0.00 0.00 175.10 175.78 1d5m s ASP 35 N 0.50 6.38 0.51 3.32 -1.08 -0.38 -4.64 116.67 121.30 1d5m s ASP 35 Ca 0.16 -0.19 0.32 0.00 -0.52 0.00 0.00 52.55 52.31 1d5m s ASP 35 Cb -0.13 -2.46 1.20 0.00 -1.46 0.00 0.00 42.92 40.07 1d5m s ASP 35 CO 0.04 -1.25 1.92 0.24 0.52 0.00 0.00 175.17 176.64 1d5m h MET 36 N 9.32 0.00 0.01 4.34 2.86 -1.95 0.54 114.93 130.05 1d5m h MET 36 Ca -0.26 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.34 1d5m h MET 36 Cb 1.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 1d5m h MET 36 CO 1.10 0.00 -0.24 0.00 1.06 0.00 0.00 176.91 178.82 1d5m h ALA 37 N 2.02 0.03 0.00 6.32 0.00 -1.98 -3.33 119.26 122.33 1d5m h ALA 37 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1d5m h ALA 37 Cb 0.57 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1d5m h ALA 37 CO 0.00 0.13 -0.11 0.87 0.00 0.00 0.00 179.25 180.14 1d5m h LYS 38 N -0.93 0.00 -5.25 0.00 1.57 -1.98 -3.48 116.57 106.50 1d5m h LYS 38 Ca -0.06 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.47 1d5m h LYS 38 Cb 1.11 0.00 0.17 0.00 0.08 0.00 0.00 32.23 33.59 1d5m h LYS 38 CO -0.01 0.00 -0.75 1.63 -0.57 0.00 0.00 179.45 179.75 1d5m n LYS 39 N -2.70 -3.59 -4.07 3.15 5.02 0.19 -5.04 118.16 111.12 1d5m n LYS 39 Ca 0.04 0.78 -0.10 0.00 -2.02 0.00 0.00 58.31 57.02 1d5m n LYS 39 Cb 0.49 -5.47 -0.11 0.00 -0.02 0.00 0.00 35.03 29.92 1d5m n LYS 39 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1d5m s GLU 40 N -4.64 0.55 -0.17 1.97 2.02 -1.05 -4.63 118.70 112.77 1d5m s GLU 40 Ca 0.25 -0.98 -0.23 0.00 0.02 0.00 0.00 54.97 54.03 1d5m s GLU 40 Cb -0.03 -0.01 -0.02 0.00 0.10 0.00 0.00 34.13 34.17 1d5m s GLU 40 CO 0.67 -0.04 0.73 0.99 0.02 0.00 0.00 175.26 177.62 1d5m s THR 41 N -2.65 4.96 -0.44 3.63 2.01 -1.26 -1.24 115.64 120.65 1d5m s THR 41 Ca -0.02 1.42 -0.09 0.00 0.31 0.00 0.00 61.69 63.31 1d5m s THR 41 Cb -0.01 -4.04 0.09 0.00 0.01 0.00 0.00 72.50 68.55 1d5m s THR 41 CO -0.04 0.09 0.29 -0.69 -0.69 0.00 0.00 174.62 173.58 1d5m s VAL 42 N 1.86 4.16 0.27 3.82 1.01 -0.20 -4.97 120.40 126.35 1d5m s VAL 42 Ca 0.34 -1.58 -0.29 0.00 0.00 0.00 0.00 61.98 60.45 1d5m s VAL 42 Cb -0.16 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 1d5m s VAL 42 CO 0.12 -0.61 1.12 0.26 0.00 0.00 0.00 175.10 175.99 1d5m s TRP 43 N 1.39 3.53 0.25 5.22 0.52 -1.26 -2.23 118.94 126.36 1d5m s TRP 43 Ca 0.04 1.65 -0.03 0.00 0.02 0.00 0.00 56.10 57.78 1d5m s TRP 43 Cb -0.24 -3.32 0.31 0.00 -1.15 0.00 0.00 33.47 29.07 1d5m s TRP 43 CO 0.01 -0.69 1.78 -0.09 0.02 0.00 0.00 176.95 177.97 1d5m h ARG 44 N 3.97 0.89 -5.86 4.98 9.65 -1.31 -3.42 114.38 123.27 1d5m h ARG 44 Ca -0.47 -0.21 -0.54 0.00 -1.10 0.00 0.00 59.98 57.67 1d5m h ARG 44 Cb 1.21 -0.12 -0.25 0.00 -1.39 0.00 0.00 29.97 29.43 1d5m h ARG 44 CO 0.68 0.83 -0.82 -0.51 2.80 0.00 0.00 179.97 182.94 1d5m s LEU 45 N -9.32 2.19 0.18 3.80 1.43 -1.26 -5.05 118.68 110.64 1d5m s LEU 45 Ca -0.10 -0.53 -0.14 0.00 -1.03 0.00 0.00 54.13 52.33 1d5m s LEU 45 Cb 0.15 -0.85 0.15 0.00 0.03 0.00 0.00 46.19 45.67 1d5m s LEU 45 CO 0.82 0.11 1.74 -0.08 0.23 0.00 0.00 176.35 179.16 1d5m h GLU 46 N 4.77 0.27 -0.94 1.70 4.81 -1.99 -2.73 114.58 120.46 1d5m h GLU 46 Ca -0.42 -0.02 0.28 0.00 -0.13 0.00 0.00 59.36 59.07 1d5m h GLU 46 Cb 1.17 -0.06 -0.14 0.00 0.63 0.00 0.00 28.75 30.34 1d5m h GLU 46 CO 0.43 0.18 0.40 1.49 -0.73 0.00 0.00 179.01 180.78 1d5m h GLU 47 N 0.28 0.27 -0.59 1.92 4.81 -1.97 -1.63 114.58 117.66 1d5m h GLU 47 Ca 0.22 -0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.56 1d5m h GLU 47 Cb 0.26 -0.06 -0.10 0.00 0.63 0.00 0.00 28.75 29.48 1d5m h GLU 47 CO -0.26 0.18 0.02 0.74 -0.73 0.00 0.00 179.01 178.96 1d5m h PHE 48 N 0.27 -0.00 0.00 0.92 0.05 -1.88 -0.34 116.94 115.96 1d5m h PHE 48 Ca 0.64 0.04 0.00 0.00 3.82 0.00 0.00 57.97 62.47 1d5m h PHE 48 Cb 1.37 0.09 0.00 0.00 2.00 0.00 0.00 35.95 39.42 1d5m h PHE 48 CO -0.14 -0.13 0.00 0.41 -0.18 0.00 0.00 178.31 178.27 1d5m n GLY 49 N -1.35 -0.89 0.10 -1.45 0.00 -0.61 -1.94 105.19 99.05 1d5m n GLY 49 Ca 0.08 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1d5m n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d5m n ARG 50 N -1.42 0.55 0.00 1.61 1.74 -0.15 -4.33 116.66 114.68 1d5m n ARG 50 Ca 0.05 0.11 0.02 0.00 -0.77 0.00 0.00 57.85 57.25 1d5m n ARG 50 Cb 0.14 -1.79 -0.00 0.00 -1.02 0.00 0.00 32.46 29.79 1d5m n ARG 50 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1d5m n PHE 51 N -2.57 0.00 -3.94 -1.55 3.01 -0.89 -5.06 117.46 106.47 1d5m n PHE 51 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.37 1d5m n PHE 51 Cb 0.53 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.95 1d5m n PHE 51 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1d5m s ALA 52 N -0.91 -0.31 0.12 4.37 0.00 -0.82 -5.12 121.76 119.10 1d5m s ALA 52 Ca 0.03 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.22 1d5m s ALA 52 Cb 0.03 0.97 -0.03 0.00 0.00 0.00 0.00 23.12 24.09 1d5m s ALA 52 CO 0.12 -0.79 0.09 -1.54 0.00 0.00 0.00 175.76 173.63 1d5m s SER 53 N -2.98 0.28 -0.20 0.00 1.04 -1.26 -4.50 113.70 106.08 1d5m s SER 53 Ca 0.18 -1.11 -0.15 0.00 0.48 0.00 0.00 55.95 55.36 1d5m s SER 53 Cb 0.00 0.31 0.06 0.00 0.10 0.00 0.00 66.02 66.49 1d5m s SER 53 CO 0.04 -0.74 0.52 0.12 0.98 0.00 0.00 173.24 174.17 1d5m s PHE 54 N -4.01 -0.68 -0.89 5.02 5.36 -1.26 -5.09 117.98 116.43 1d5m s PHE 54 Ca 0.20 1.51 -0.23 0.00 -0.96 0.00 0.00 56.93 57.45 1d5m s PHE 54 Cb 0.07 0.30 0.07 0.00 -0.34 0.00 0.00 43.02 43.11 1d5m s PHE 54 CO -0.01 -0.35 1.28 -2.00 -1.46 0.00 0.00 175.22 172.69 1d5m s GLU 55 N 0.87 3.44 0.23 10.12 2.56 -1.26 -4.78 118.70 129.89 1d5m s GLU 55 Ca -0.05 -1.02 -0.07 0.00 0.00 0.00 0.00 54.97 53.83 1d5m s GLU 55 Cb -0.05 -4.86 0.41 0.00 2.00 0.00 0.00 34.13 31.63 1d5m s GLU 55 CO -0.07 -2.05 1.68 0.00 -0.56 0.00 0.00 175.26 174.26 1d5m h ALA 56 N 9.62 0.86 -0.30 6.30 0.00 -1.91 -2.57 119.26 131.26 1d5m h ALA 56 Ca 0.02 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1d5m h ALA 56 Cb 1.03 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1d5m h ALA 56 CO 1.30 -0.34 0.20 1.96 0.00 0.00 0.00 179.25 182.37 1d5m h GLN 57 N 0.24 0.23 0.00 0.00 4.20 -1.90 -1.06 115.11 116.82 1d5m h GLN 57 Ca 0.39 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.08 1d5m h GLN 57 Cb 0.64 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.37 1d5m h GLN 57 CO -0.50 0.15 -0.03 0.78 -0.67 0.00 0.00 178.83 178.56 1d5m h GLY 58 N 0.24 0.00 1.97 3.46 0.00 -1.88 -2.09 103.07 104.77 1d5m h GLY 58 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 1d5m h GLY 58 CO -0.02 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.47 1d5m h ALA 59 N 1.97 1.88 0.00 3.60 0.00 -1.33 -1.84 119.26 123.54 1d5m h ALA 59 Ca -0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1d5m h ALA 59 Cb 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1d5m h ALA 59 CO 0.00 0.10 -0.10 -0.07 0.00 0.00 0.00 179.25 179.18 1d5m h LEU 60 N 0.03 0.00 -0.45 0.00 3.38 -1.53 -1.94 115.31 114.81 1d5m h LEU 60 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1d5m h LEU 60 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1d5m h LEU 60 CO 0.01 0.10 0.20 0.00 0.09 0.00 0.00 178.44 178.84 1d5m h ALA 61 N 1.90 0.58 -0.10 1.53 0.00 -1.50 0.10 119.26 121.78 1d5m h ALA 61 Ca -0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1d5m h ALA 61 Cb 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1d5m h ALA 61 CO 0.01 0.16 0.05 -0.91 0.00 0.00 0.00 179.25 178.56 1d5m h ASN 62 N 0.58 0.12 -0.57 0.00 4.21 -1.47 -2.11 115.58 116.35 1d5m h ASN 62 Ca 0.15 -0.10 -0.02 0.00 1.21 0.00 0.00 56.30 57.54 1d5m h ASN 62 Cb 0.15 -0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.29 1d5m h ASN 62 CO -0.02 0.19 0.28 0.40 -1.29 0.00 0.00 177.43 176.99 1d5m h ILE 63 N 0.05 1.20 -0.65 2.81 1.08 -1.30 0.15 117.51 120.85 1d5m h ILE 63 Ca 0.03 -0.58 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 1d5m h ILE 63 Cb 0.10 0.45 -0.03 0.00 -3.07 0.00 0.00 36.82 34.26 1d5m h ILE 63 CO -0.00 0.24 0.42 0.00 -0.69 0.00 0.00 178.15 178.11 1d5m h ALA 64 N 1.46 0.83 -0.32 1.87 0.00 -0.73 -0.61 119.26 121.75 1d5m h ALA 64 Ca 0.21 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1d5m h ALA 64 Cb 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1d5m h ALA 64 CO -0.03 0.28 -0.36 0.28 0.00 0.00 0.00 179.25 179.42 1d5m h VAL 65 N 0.88 1.29 -0.37 0.00 2.07 -0.70 -2.66 116.25 116.76 1d5m h VAL 65 Ca 0.24 -1.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.19 1d5m h VAL 65 Cb -0.07 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1d5m h VAL 65 CO -0.05 0.50 0.06 0.44 0.02 0.00 0.00 177.57 178.54 1d5m h ASP 66 N 0.60 0.51 -0.22 0.57 3.32 -0.00 0.55 116.42 121.75 1d5m h ASP 66 Ca 0.06 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1d5m h ASP 66 Cb 0.90 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1d5m h ASP 66 CO 0.08 0.54 -0.05 0.50 -1.72 0.00 0.00 179.24 178.58 1d5m h LYS 67 N 0.54 0.43 -0.67 3.56 3.64 -1.02 -1.38 116.57 121.67 1d5m h LYS 67 Ca 0.12 -0.17 0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1d5m h LYS 67 Cb 0.25 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 1d5m h LYS 67 CO 0.00 0.67 0.41 0.00 -2.27 0.00 0.00 179.45 178.26 1d5m h ALA 68 N 0.75 0.88 -0.35 5.00 0.00 -1.05 -1.62 119.26 122.87 1d5m h ALA 68 Ca 0.06 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1d5m h ALA 68 Cb 0.51 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1d5m h ALA 68 CO 0.02 0.16 -0.17 -0.91 0.00 0.00 0.00 179.25 178.35 1d5m h ASN 69 N 0.79 0.63 -0.82 0.00 2.35 -0.80 -2.66 115.58 115.07 1d5m h ASN 69 Ca 0.28 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1d5m h ASN 69 Cb 0.05 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.22 1d5m h ASN 69 CO -0.12 0.81 0.38 0.25 -1.65 0.00 0.00 177.43 177.10 1d5m h LEU 70 N 0.57 1.09 -0.56 1.61 5.85 -0.54 0.12 115.31 123.45 1d5m h LEU 70 Ca 0.09 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1d5m h LEU 70 Cb 0.62 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1d5m h LEU 70 CO 0.04 0.93 0.22 -0.33 -0.34 0.00 0.00 178.44 178.97 1d5m h GLU 71 N 1.18 0.83 -0.18 1.25 5.08 -1.06 0.41 114.58 122.09 1d5m h GLU 71 Ca 0.28 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1d5m h GLU 71 Cb 0.14 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1d5m h GLU 71 CO -0.03 0.72 -0.01 0.82 -1.00 0.00 0.00 179.01 179.50 1d5m h ILE 72 N 0.76 1.27 -0.43 3.13 2.04 -1.13 -2.86 117.51 120.28 1d5m h ILE 72 Ca 0.19 -0.91 -0.11 0.00 1.00 0.00 0.00 64.86 65.02 1d5m h ILE 72 Cb 0.20 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1d5m h ILE 72 CO -0.02 0.27 -0.19 0.24 0.00 0.00 0.00 178.15 178.46 1d5m h MET 73 N 0.07 0.83 -0.36 2.37 2.86 -0.63 -1.30 114.93 118.78 1d5m h MET 73 Ca 0.05 -0.33 0.07 0.00 -2.06 0.00 0.00 59.70 57.43 1d5m h MET 73 Cb 0.42 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.97 1d5m h MET 73 CO 0.01 0.96 -0.05 1.15 1.06 0.00 0.00 176.91 180.04 1d5m h THR 74 N 0.73 0.68 -0.31 2.22 2.02 -0.12 -0.26 112.91 117.87 1d5m h THR 74 Ca 0.11 -0.01 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 1d5m h THR 74 Cb 0.71 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1d5m h THR 74 CO 0.05 0.01 0.07 0.11 0.37 0.00 0.00 175.52 176.14 1d5m h LYS 75 N 0.04 0.50 -0.97 6.66 1.57 -1.35 0.33 116.57 123.35 1d5m h LYS 75 Ca 0.17 -0.12 0.12 0.00 -1.87 0.00 0.00 60.65 58.96 1d5m h LYS 75 Cb 0.26 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.42 1d5m h LYS 75 CO -0.34 0.57 0.62 0.00 -0.57 0.00 0.00 179.45 179.73 1d5m h ARG 76 N 0.34 0.90 -0.01 3.15 3.08 -0.48 0.36 114.38 121.72 1d5m h ARG 76 Ca 0.10 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1d5m h ARG 76 Cb 0.30 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1d5m h ARG 76 CO 0.00 0.59 0.00 -1.13 -1.07 0.00 0.00 179.97 178.36 1d5m n SER 77 N -4.60 0.09 -2.78 7.04 3.41 -0.18 -4.86 113.62 111.74 1d5m n SER 77 Ca 0.18 -1.31 -0.15 0.00 -0.26 0.00 0.00 58.87 57.34 1d5m n SER 77 Cb 0.37 -0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.38 1d5m n SER 77 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1d5m n ASN 78 N -0.79 -3.38 -3.88 4.04 5.15 0.13 -3.19 115.26 113.33 1d5m n ASN 78 Ca 0.17 -0.43 -0.28 0.00 -0.60 0.00 0.00 54.58 53.44 1d5m n ASN 78 Cb 0.09 -3.87 0.02 0.00 -0.53 0.00 0.00 39.78 35.49 1d5m n ASN 78 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1d5m n TYR 79 N -3.74 -2.17 -2.56 1.20 4.02 0.11 -4.92 117.16 109.10 1d5m n TYR 79 Ca -0.12 0.88 -0.43 0.00 -0.01 0.00 0.00 57.90 58.22 1d5m n TYR 79 Cb 0.59 -4.02 -0.02 0.00 -0.02 0.00 0.00 39.34 35.87 1d5m n TYR 79 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1d5m s THR 80 N -3.41 4.44 0.73 -0.72 2.01 -1.19 -5.01 115.64 112.48 1d5m s THR 80 Ca 0.50 1.70 -0.11 0.00 0.31 0.00 0.00 61.69 64.08 1d5m s THR 80 Cb -0.25 -4.25 0.03 0.00 0.01 0.00 0.00 72.50 68.04 1d5m s THR 80 CO 0.83 -0.32 1.09 -2.84 -0.69 0.00 0.00 174.62 172.69 1d5m s PRO 81 N 3.58 2.69 0.53 4.92 0.02 -1.26 -5.02 135.00 140.46 1d5m s PRO 81 Ca 0.49 0.61 -0.18 0.00 0.02 0.00 0.00 61.00 61.94 1d5m s PRO 81 Cb -0.16 -1.99 -0.06 0.00 0.02 0.00 0.00 34.50 32.31 1d5m s PRO 81 CO 0.14 -1.19 1.05 -1.50 -0.33 0.00 0.00 177.00 175.17 1d5m s ILE 82 N -3.23 3.80 -0.19 2.83 2.07 -1.26 -5.02 121.20 120.20 1d5m s ILE 82 Ca 0.59 1.00 -0.11 0.00 -1.41 0.00 0.00 60.65 60.72 1d5m s ILE 82 Cb -0.12 -3.43 -0.05 0.00 0.13 0.00 0.00 42.46 38.99 1d5m s ILE 82 CO 0.53 -0.36 0.17 -0.89 -1.91 0.00 0.00 174.94 172.49 1d5m s THR 83 N -2.18 5.38 0.30 4.00 2.01 -1.26 -5.04 115.64 118.86 1d5m s THR 83 Ca 0.66 0.28 -0.29 0.00 0.31 0.00 0.00 61.69 62.64 1d5m s THR 83 Cb -0.16 -3.51 -0.10 0.00 0.01 0.00 0.00 72.50 68.74 1d5m s THR 83 CO 0.27 0.43 1.39 0.20 -0.69 0.00 0.00 174.62 176.22 1d5m s ASN 84 N 0.39 6.66 -0.27 3.53 0.01 -1.26 -4.71 114.94 119.28 1d5m s ASN 84 Ca 0.10 2.73 0.00 0.00 -0.71 0.00 0.00 52.86 54.98 1d5m s ASN 84 Cb -0.11 -2.64 0.08 0.00 0.41 0.00 0.00 41.25 38.99 1d5m s ASN 84 CO -0.01 -0.66 0.03 -0.69 -1.51 0.00 0.00 177.10 174.27 1d5m s VAL 85 N -0.59 1.28 0.67 1.60 1.01 0.15 -4.94 120.40 119.58 1d5m s VAL 85 Ca 0.54 -1.38 -0.17 0.00 0.00 0.00 0.00 61.98 60.97 1d5m s VAL 85 Cb -0.42 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1d5m s VAL 85 CO 0.50 -0.41 1.26 -2.16 0.00 0.00 0.00 175.10 174.29 1d5m s PRO 86 N 1.46 2.44 0.53 2.72 0.04 -1.26 -1.94 135.00 138.98 1d5m s PRO 86 Ca 0.03 1.95 -0.19 0.00 0.04 0.00 0.00 61.00 62.84 1d5m s PRO 86 Cb -0.18 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 1d5m s PRO 86 CO -0.14 -1.66 1.06 -1.25 0.04 0.00 0.00 177.00 175.05 1d5m s PRO 87 N -3.54 3.57 -0.35 0.56 0.04 -1.26 -4.58 135.00 129.44 1d5m s PRO 87 Ca 0.80 1.35 -0.12 0.00 0.04 0.00 0.00 61.00 63.07 1d5m s PRO 87 Cb -0.34 -2.06 -0.00 0.00 0.04 0.00 0.00 34.50 32.14 1d5m s PRO 87 CO 0.41 -0.63 0.22 -2.00 0.04 0.00 0.00 177.00 175.04 1d5m s GLU 88 N -3.52 3.26 -0.12 4.56 2.12 0.29 -4.90 118.70 120.39 1d5m s GLU 88 Ca 0.67 -0.80 -0.02 0.00 0.36 0.00 0.00 54.97 55.18 1d5m s GLU 88 Cb -0.17 -3.75 -0.03 0.00 0.26 0.00 0.00 34.13 30.43 1d5m s GLU 88 CO 0.27 -0.53 -0.03 0.08 -0.54 0.00 0.00 175.26 174.51 1d5m s VAL 89 N 1.66 4.02 0.00 3.70 1.01 -1.26 -1.02 120.40 128.51 1d5m s VAL 89 Ca 0.05 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1d5m s VAL 89 Cb -0.18 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 1d5m s VAL 89 CO 0.09 0.55 -0.06 -0.89 0.00 0.00 0.00 175.10 174.78 1d5m s THR 90 N -0.25 0.46 -0.13 3.92 2.01 -0.50 -4.99 115.64 116.16 1d5m s THR 90 Ca 0.05 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 61.74 1d5m s THR 90 Cb -0.13 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 71.99 1d5m s THR 90 CO 0.02 0.08 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.14 1d5m s VAL 91 N -0.26 1.88 0.28 3.82 1.01 -1.26 0.41 120.40 126.29 1d5m s VAL 91 Ca 0.01 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1d5m s VAL 91 Cb -0.03 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1d5m s VAL 91 CO -0.00 0.52 0.15 -0.76 0.00 0.00 0.00 175.10 175.00 1d5m s LEU 92 N 0.89 1.58 0.19 3.92 1.43 -0.55 -4.97 118.68 121.16 1d5m s LEU 92 Ca -0.06 -1.50 0.07 0.00 -1.03 0.00 0.00 54.13 51.61 1d5m s LEU 92 Cb -0.15 0.21 -0.04 0.00 0.03 0.00 0.00 46.19 46.24 1d5m s LEU 92 CO -0.02 -0.85 0.04 0.42 0.23 0.00 0.00 176.35 176.17 1d5m s THR 93 N -3.73 3.89 -2.31 5.49 -4.23 -1.26 0.33 115.64 113.83 1d5m s THR 93 Ca 0.37 -1.42 0.25 0.00 -1.18 0.00 0.00 61.69 59.71 1d5m s THR 93 Cb 0.06 -2.99 0.55 0.00 1.34 0.00 0.00 72.50 71.45 1d5m s THR 93 CO 0.16 -0.16 1.71 -0.46 -0.54 0.00 0.00 174.62 175.33 1d5m n ASN 94 N -0.35 1.27 -3.54 3.99 6.94 -0.68 -4.88 115.26 118.02 1d5m n ASN 94 Ca -0.09 -1.53 -0.11 0.00 -0.02 0.00 0.00 54.58 52.83 1d5m n ASN 94 Cb 0.56 -0.04 -0.03 0.00 -2.36 0.00 0.00 39.78 37.90 1d5m n ASN 94 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1d5m s SER 95 N -1.78 -0.39 0.20 0.53 1.04 -1.26 -5.02 113.70 107.02 1d5m s SER 95 Ca 0.36 -0.17 -0.32 0.00 0.48 0.00 0.00 55.95 56.29 1d5m s SER 95 Cb 0.19 0.53 -0.14 0.00 0.10 0.00 0.00 66.02 66.71 1d5m s SER 95 CO 0.30 -0.91 1.48 -0.81 0.98 0.00 0.00 173.24 174.28 1d5m n PRO 96 N -0.30 2.08 -2.47 4.02 -0.04 -1.26 -4.89 135.00 132.13 1d5m n PRO 96 Ca -0.16 0.74 -0.43 0.00 -0.04 0.00 0.00 63.50 63.61 1d5m n PRO 96 Cb 0.64 -2.45 -0.02 0.00 -0.04 0.00 0.00 33.50 31.63 1d5m n PRO 96 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1d5m s VAL 97 N 0.36 4.35 -0.01 0.52 1.01 -1.26 -5.02 120.40 120.34 1d5m s VAL 97 Ca 0.73 1.64 0.05 0.00 0.00 0.00 0.00 61.98 64.39 1d5m s VAL 97 Cb -0.67 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 31.65 1d5m s VAL 97 CO 0.45 -0.11 -0.16 -1.61 0.00 0.00 0.00 175.10 173.67 1d5m s GLU 98 N 3.12 1.29 0.25 2.72 2.02 -1.26 -5.09 118.70 121.75 1d5m s GLU 98 Ca 0.53 -0.57 -0.31 0.00 0.02 0.00 0.00 54.97 54.64 1d5m s GLU 98 Cb -0.21 -1.25 -0.13 0.00 0.10 0.00 0.00 34.13 32.64 1d5m s GLU 98 CO 0.15 0.34 1.52 -0.11 0.02 0.00 0.00 175.26 177.18 1d5m n LEU 99 N 2.68 3.63 0.00 1.80 7.94 -1.26 -1.68 117.00 130.12 1d5m n LEU 99 Ca -0.14 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.89 1d5m n LEU 99 Cb 0.54 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 43.00 1d5m n LEU 99 CO 0.24 -0.18 0.00 0.54 -1.11 0.00 0.00 177.39 176.88 1d5m n ARG 100 N 2.36 -1.11 -3.46 1.96 1.74 -0.39 -4.95 116.66 112.80 1d5m n ARG 100 Ca 0.11 0.28 -0.38 0.00 -0.77 0.00 0.00 57.85 57.09 1d5m n ARG 100 Cb 0.33 -4.55 -0.08 0.00 -1.02 0.00 0.00 32.46 27.15 1d5m n ARG 100 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1d5m s GLU 101 N -1.42 4.15 0.07 5.56 2.56 -0.67 -4.86 118.70 124.09 1d5m s GLU 101 Ca 0.00 0.08 -0.37 0.00 0.00 0.00 0.00 54.97 54.67 1d5m s GLU 101 Cb 0.00 -3.53 -0.17 0.00 2.00 0.00 0.00 34.13 32.42 1d5m s GLU 101 CO 0.00 -0.00 1.29 -2.30 -0.56 0.00 0.00 175.26 173.69 1d5m n PRO 102 N 4.39 0.95 -3.39 4.30 -0.02 -1.26 -4.18 135.00 135.79 1d5m n PRO 102 Ca -0.10 0.34 -0.11 0.00 -2.02 0.00 0.00 63.50 61.61 1d5m n PRO 102 Cb 0.51 -1.96 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 1d5m n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1d5m n ASN 103 N 2.35 -0.93 -3.80 2.55 2.85 -0.41 -5.01 115.26 112.86 1d5m n ASN 103 Ca 0.19 -2.43 -0.13 0.00 -0.11 0.00 0.00 54.58 52.10 1d5m n ASN 103 Cb 0.17 1.78 -0.14 0.00 1.24 0.00 0.00 39.78 42.83 1d5m n ASN 103 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1d5m s VAL 104 N -2.75 -0.03 -0.10 3.44 1.01 -1.26 -0.96 120.40 119.74 1d5m s VAL 104 Ca 0.23 0.10 -0.16 0.00 0.00 0.00 0.00 61.98 62.15 1d5m s VAL 104 Cb -0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.17 1d5m s VAL 104 CO 0.16 0.04 0.39 -0.76 0.00 0.00 0.00 175.10 174.94 1d5m s LEU 105 N 0.63 4.31 -0.16 3.92 1.43 -0.53 -1.68 118.68 126.61 1d5m s LEU 105 Ca -0.05 0.74 -0.00 0.00 -1.03 0.00 0.00 54.13 53.79 1d5m s LEU 105 Cb -0.07 -2.55 -0.00 0.00 0.03 0.00 0.00 46.19 43.60 1d5m s LEU 105 CO -0.03 0.12 -0.15 -0.63 0.23 0.00 0.00 176.35 175.90 1d5m s ILE 106 N 0.14 2.70 -0.36 -0.59 1.01 0.15 -1.40 121.20 122.84 1d5m s ILE 106 Ca 0.22 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 60.00 1d5m s ILE 106 Cb -0.15 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.19 1d5m s ILE 106 CO 0.09 0.51 0.21 0.00 0.00 0.00 0.00 174.94 175.74 1d5m s PHE 108 N 1.59 3.17 -0.39 0.00 0.40 0.17 -1.86 117.98 121.07 1d5m s PHE 108 Ca 0.03 0.13 -0.10 0.00 -0.60 0.00 0.00 56.93 56.39 1d5m s PHE 108 Cb -0.19 -2.93 0.05 0.00 0.51 0.00 0.00 43.02 40.46 1d5m s PHE 108 CO 0.07 -0.56 0.22 0.42 0.70 0.00 0.00 175.22 176.07 1d5m s ILE 109 N 2.38 4.38 0.24 0.64 1.01 0.12 -1.41 121.20 128.57 1d5m s ILE 109 Ca 0.18 -1.08 0.08 0.00 0.00 0.00 0.00 60.65 59.83 1d5m s ILE 109 Cb -0.15 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 1d5m s ILE 109 CO 0.13 -0.33 -0.13 -0.62 0.00 0.00 0.00 174.94 174.00 1d5m s ASP 110 N 1.75 2.77 -1.08 3.58 2.15 -0.19 0.15 116.67 125.80 1d5m s ASP 110 Ca 0.02 -1.07 -0.19 0.00 0.43 0.00 0.00 52.55 51.74 1d5m s ASP 110 Cb -0.21 -0.17 0.00 0.00 -0.30 0.00 0.00 42.92 42.25 1d5m s ASP 110 CO 0.05 -0.19 0.75 0.29 -0.17 0.00 0.00 175.17 175.90 1d5m n LYS 111 N -0.47 -1.11 -4.08 4.34 5.02 -0.77 -0.55 118.16 120.54 1d5m n LYS 111 Ca -0.07 0.51 -0.08 0.00 -2.02 0.00 0.00 58.31 56.65 1d5m n LYS 111 Cb 0.61 -3.80 -0.10 0.00 -0.02 0.00 0.00 35.03 31.72 1d5m n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1d5m s PHE 112 N -3.38 0.59 -0.19 2.13 -0.12 -0.88 -4.51 117.98 111.63 1d5m s PHE 112 Ca 0.39 -1.06 -0.29 0.00 -0.05 0.00 0.00 56.93 55.92 1d5m s PHE 112 Cb -0.15 -0.37 0.13 0.00 -0.63 0.00 0.00 43.02 42.00 1d5m s PHE 112 CO 0.87 -0.46 1.04 0.95 -0.05 0.00 0.00 175.22 177.57 1d5m s THR 113 N -3.96 0.00 0.94 -4.49 -4.23 -0.82 -0.42 115.64 102.66 1d5m s THR 113 Ca 0.13 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.52 1d5m s THR 113 Cb 0.07 -1.00 0.16 0.00 1.34 0.00 0.00 72.50 73.07 1d5m s THR 113 CO -0.05 0.00 1.09 -2.16 -0.54 0.00 0.00 174.62 172.96 1d5m s PRO 114 N -0.93 0.88 -1.26 3.99 0.04 -1.26 -0.67 135.00 135.78 1d5m s PRO 114 Ca -0.00 0.75 -0.13 0.00 0.04 0.00 0.00 61.00 61.66 1d5m s PRO 114 Cb -0.01 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 1d5m s PRO 114 CO -0.00 -2.48 2.34 -0.35 0.04 0.00 0.00 177.00 176.55 1d5m n PRO 115 N -4.04 2.66 -3.70 0.56 -0.04 -1.26 -4.79 135.00 124.39 1d5m n PRO 115 Ca 0.06 -2.13 -0.13 0.00 -0.04 0.00 0.00 63.50 61.26 1d5m n PRO 115 Cb 0.56 -2.93 -0.14 0.00 -0.04 0.00 0.00 33.50 30.95 1d5m n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1d5m s VAL 116 N 3.33 -0.21 0.06 0.52 1.01 -1.26 -5.02 120.40 118.82 1d5m s VAL 116 Ca 0.54 0.23 -0.18 0.00 0.00 0.00 0.00 61.98 62.57 1d5m s VAL 116 Cb 0.14 -0.38 0.04 0.00 0.00 0.00 0.00 36.38 36.18 1d5m s VAL 116 CO -0.03 0.09 0.41 -0.69 0.00 0.00 0.00 175.10 174.89 1d5m s VAL 117 N 1.82 0.06 -0.17 2.92 1.01 -1.26 -4.66 120.40 120.12 1d5m s VAL 117 Ca -0.04 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1d5m s VAL 117 Cb -0.11 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.29 1d5m s VAL 117 CO -0.08 -0.26 -0.16 0.20 0.00 0.00 0.00 175.10 174.80 1d5m s ASN 118 N -2.12 3.54 -0.05 3.32 0.01 -0.71 -4.97 114.94 113.97 1d5m s ASN 118 Ca -0.04 -0.53 0.06 0.00 -0.71 0.00 0.00 52.86 51.64 1d5m s ASN 118 Cb -0.00 -1.55 -0.01 0.00 0.41 0.00 0.00 41.25 40.09 1d5m s ASN 118 CO -0.04 0.04 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.67 1d5m s VAL 119 N 1.08 1.90 -0.00 1.60 1.01 -1.26 -0.43 120.40 124.29 1d5m s VAL 119 Ca -0.00 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1d5m s VAL 119 Cb -0.14 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1d5m s VAL 119 CO -0.05 0.53 -0.01 -0.89 0.00 0.00 0.00 175.10 174.68 1d5m s THR 120 N -0.15 0.14 -0.13 3.92 2.01 -0.04 -4.99 115.64 116.40 1d5m s THR 120 Ca -0.03 -0.05 -0.12 0.00 0.31 0.00 0.00 61.69 61.81 1d5m s THR 120 Cb -0.13 -0.14 -0.05 0.00 0.01 0.00 0.00 72.50 72.20 1d5m s THR 120 CO 0.03 0.05 0.25 0.26 -0.69 0.00 0.00 174.62 174.52 1d5m s TRP 121 N 0.09 3.53 -0.07 4.92 0.52 -1.26 0.18 118.94 126.85 1d5m s TRP 121 Ca -0.01 0.60 0.05 0.00 0.02 0.00 0.00 56.10 56.76 1d5m s TRP 121 Cb -0.02 -2.20 -0.01 0.00 -1.15 0.00 0.00 33.47 30.09 1d5m s TRP 121 CO -0.00 0.44 -0.24 -0.51 0.02 0.00 0.00 176.95 176.66 1d5m s LEU 122 N -0.17 2.15 -0.25 2.99 1.43 0.06 -0.40 118.68 124.49 1d5m s LEU 122 Ca 0.16 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1d5m s LEU 122 Cb -0.13 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 44.71 1d5m s LEU 122 CO 0.04 0.22 -0.06 -0.60 0.23 0.00 0.00 176.35 176.19 1d5m s ARG 123 N -0.04 2.88 -1.40 1.70 3.52 0.56 -1.21 118.95 124.96 1d5m s ARG 123 Ca -0.07 -0.95 -0.10 0.00 -0.13 0.00 0.00 55.73 54.48 1d5m s ARG 123 Cb -0.15 -2.99 0.07 0.00 -1.56 0.00 0.00 34.95 30.33 1d5m s ARG 123 CO 0.05 -0.39 0.63 0.09 -0.81 0.00 0.00 175.30 174.87 1d5m n ASN 124 N 4.68 -4.23 0.00 -2.12 3.02 0.13 -1.10 115.26 115.64 1d5m n ASN 124 Ca -0.17 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 1d5m n ASN 124 Cb 0.47 -3.46 0.00 0.00 -0.61 0.00 0.00 39.78 36.18 1d5m n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1d5m n GLY 125 N -1.34 1.34 3.66 7.41 0.00 -1.26 -5.04 105.19 109.95 1d5m n GLY 125 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1d5m n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d5m s LYS 126 N -0.36 3.18 0.22 1.61 1.02 -0.26 -5.00 119.74 120.15 1d5m s LYS 126 Ca 0.00 -0.41 -0.32 0.00 0.02 0.00 0.00 55.97 55.27 1d5m s LYS 126 Cb 0.00 -2.86 -0.12 0.00 -0.52 0.00 0.00 37.83 34.32 1d5m s LYS 126 CO 0.00 0.61 1.67 -2.30 -0.92 0.00 0.00 175.35 174.40 1d5m n PRO 127 N 2.45 2.64 -4.82 -1.68 -0.02 -1.26 -0.32 135.00 131.98 1d5m n PRO 127 Ca -0.18 0.95 -0.31 0.00 -2.02 0.00 0.00 63.50 61.94 1d5m n PRO 127 Cb 0.53 -2.76 -0.14 0.00 -0.02 0.00 0.00 33.50 31.11 1d5m n PRO 127 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1d5m s VAL 128 N 0.88 2.52 0.00 -1.45 1.01 0.47 -4.85 120.40 118.98 1d5m s VAL 128 Ca 0.74 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1d5m s VAL 128 Cb -0.54 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 33.83 1d5m s VAL 128 CO 0.37 0.39 0.03 0.35 0.00 0.00 0.00 175.10 176.23 1d5m n THR 129 N 1.77 0.00 -1.84 3.92 -2.24 -1.26 -4.28 114.28 110.35 1d5m n THR 129 Ca -0.16 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.13 1d5m n THR 129 Cb 0.52 1.39 -0.03 0.00 -2.10 0.00 0.00 70.33 70.11 1d5m n THR 129 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1d5m s THR 130 N -0.07 3.29 0.00 4.28 2.01 -1.26 -2.69 115.64 121.20 1d5m s THR 130 Ca 0.00 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.30 1d5m s THR 130 Cb 0.00 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.13 1d5m s THR 130 CO 0.00 -0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.31 1d5m n GLY 131 N 5.48 0.55 3.77 4.40 0.00 -1.26 -4.75 105.19 113.38 1d5m n GLY 131 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 1d5m n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1d5m s VAL 132 N -2.52 3.19 0.16 1.61 -7.23 -1.10 -4.45 120.40 110.07 1d5m s VAL 132 Ca 0.00 0.55 -0.13 0.00 -1.81 0.00 0.00 61.98 60.59 1d5m s VAL 132 Cb 0.00 -3.07 0.01 0.00 0.56 0.00 0.00 36.38 33.88 1d5m s VAL 132 CO 0.00 -0.34 0.39 -0.94 -0.31 0.00 0.00 175.10 173.90 1d5m s SER 133 N -2.56 -0.11 0.24 4.85 1.04 -0.89 -4.99 113.70 111.28 1d5m s SER 133 Ca 0.67 -0.62 -0.17 0.00 0.48 0.00 0.00 55.95 56.31 1d5m s SER 133 Cb -0.21 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.42 1d5m s SER 133 CO 0.42 -0.94 0.58 -1.83 0.98 0.00 0.00 173.24 172.45 1d5m s GLU 134 N -3.90 1.58 0.37 4.02 -1.05 -1.26 -0.52 118.70 117.94 1d5m s GLU 134 Ca 0.11 -1.03 0.08 0.00 -0.15 0.00 0.00 54.97 53.97 1d5m s GLU 134 Cb 0.02 0.54 -0.04 0.00 -0.44 0.00 0.00 34.13 34.20 1d5m s GLU 134 CO -0.04 -0.69 0.17 0.95 0.95 0.00 0.00 175.26 176.61 1d5m s THR 135 N -3.94 2.72 0.00 1.83 -4.23 -0.44 -5.00 115.64 106.58 1d5m s THR 135 Ca 0.14 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1d5m s THR 135 Cb -0.03 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1d5m s THR 135 CO 0.05 -0.10 0.00 1.33 -0.54 0.00 0.00 174.62 175.35 1d5m n VAL 136 N -1.21 0.00 -2.72 2.29 0.24 -1.26 -4.61 118.33 111.05 1d5m n VAL 136 Ca -0.02 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.86 1d5m n VAL 136 Cb 0.62 -1.82 -0.03 0.00 -1.47 0.00 0.00 33.84 31.15 1d5m n VAL 136 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1d5m s PHE 137 N -0.25 3.40 -0.10 6.34 0.40 -1.26 -4.63 117.98 121.88 1d5m s PHE 137 Ca 0.00 1.45 -0.10 0.00 -0.60 0.00 0.00 56.93 57.69 1d5m s PHE 137 Cb 0.00 -3.19 -0.05 0.00 0.51 0.00 0.00 43.02 40.29 1d5m s PHE 137 CO 0.00 -0.36 0.22 -0.51 0.70 0.00 0.00 175.22 175.27 1d5m s LEU 138 N 2.65 4.39 0.40 -0.37 1.43 0.31 -4.93 118.68 122.57 1d5m s LEU 138 Ca 0.44 0.59 -0.24 0.00 -1.03 0.00 0.00 54.13 53.88 1d5m s LEU 138 Cb -0.16 -2.22 -0.09 0.00 0.03 0.00 0.00 46.19 43.75 1d5m s LEU 138 CO 0.11 0.36 1.08 -2.16 0.23 0.00 0.00 176.35 175.96 1d5m s PRO 139 N -0.88 4.12 0.26 1.29 0.04 -1.26 -1.40 135.00 137.17 1d5m s PRO 139 Ca 0.17 1.60 0.09 0.00 0.04 0.00 0.00 61.00 62.90 1d5m s PRO 139 Cb -0.13 -2.57 -0.04 0.00 0.04 0.00 0.00 34.50 31.79 1d5m s PRO 139 CO 0.06 -0.20 0.01 1.03 0.04 0.00 0.00 177.00 177.94 1d5m s ARG 140 N -2.44 2.33 0.53 4.56 0.52 -0.86 -4.86 118.95 118.73 1d5m s ARG 140 Ca 0.58 -1.37 0.31 0.00 -0.52 0.00 0.00 55.73 54.72 1d5m s ARG 140 Cb -0.24 -2.20 1.40 0.00 0.52 0.00 0.00 34.95 34.43 1d5m s ARG 140 CO 0.30 0.37 2.01 0.93 0.02 0.00 0.00 175.30 178.94 1d5m h GLU 141 N 1.93 0.00 -0.23 3.54 5.08 -1.98 -0.25 114.58 122.68 1d5m h GLU 141 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1d5m h GLU 141 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1d5m h GLU 141 CO 0.60 0.09 0.00 -0.40 -1.00 0.00 0.00 179.01 178.30 1d5m n ASP 142 N -3.31 1.96 -0.74 1.42 5.68 -1.26 -4.92 116.55 115.38 1d5m n ASP 142 Ca -0.01 -1.80 -0.09 0.00 -0.50 0.00 0.00 54.79 52.40 1d5m n ASP 142 Cb 0.29 -0.15 -0.04 0.00 -1.14 0.00 0.00 41.12 40.09 1d5m n ASP 142 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1d5m n HIS 143 N 0.52 -0.05 -2.38 2.11 8.25 -0.10 -5.02 115.22 118.55 1d5m n HIS 143 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1d5m n HIS 143 Cb 0.36 -1.86 0.00 0.00 1.12 0.00 0.00 29.99 29.61 1d5m n HIS 143 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1d5m n LEU 144 N -1.07 0.00 -4.27 2.41 4.77 -1.26 -4.84 117.00 112.74 1d5m n LEU 144 Ca -0.09 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.74 1d5m n LEU 144 Cb 0.33 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.32 1d5m n LEU 144 CO 0.14 -0.34 -0.38 -0.36 -1.33 0.00 0.00 177.39 175.12 1d5m s PHE 145 N 1.03 1.36 0.13 -1.77 0.40 0.44 -2.03 117.98 117.52 1d5m s PHE 145 Ca 0.00 -0.82 0.00 0.00 -0.60 0.00 0.00 56.93 55.51 1d5m s PHE 145 Cb 0.00 -0.73 -0.04 0.00 0.51 0.00 0.00 43.02 42.76 1d5m s PHE 145 CO 0.00 0.03 0.00 -0.98 0.70 0.00 0.00 175.22 174.97 1d5m s ARG 146 N -3.79 0.92 -0.06 0.44 1.70 -0.50 -1.84 118.95 115.82 1d5m s ARG 146 Ca 0.21 -1.41 -0.28 0.00 -0.47 0.00 0.00 55.73 53.77 1d5m s ARG 146 Cb 0.04 -0.02 0.06 0.00 -0.57 0.00 0.00 34.95 34.46 1d5m s ARG 146 CO 0.03 -0.15 0.63 0.21 -1.08 0.00 0.00 175.30 174.94 1d5m s LYS 147 N -3.94 0.99 0.01 3.89 2.20 0.12 -0.53 119.74 122.48 1d5m s LYS 147 Ca 0.19 0.24 0.07 0.00 -0.36 0.00 0.00 55.97 56.11 1d5m s LYS 147 Cb 0.07 0.46 -0.02 0.00 -1.51 0.00 0.00 37.83 36.83 1d5m s LYS 147 CO -0.01 -0.29 -0.22 -0.06 -0.36 0.00 0.00 175.35 174.41 1d5m s PHE 148 N -1.11 1.97 0.02 4.03 0.40 -1.26 -0.70 117.98 121.34 1d5m s PHE 148 Ca -0.11 -0.38 0.05 0.00 -0.60 0.00 0.00 56.93 55.89 1d5m s PHE 148 Cb -0.01 -1.23 -0.02 0.00 0.51 0.00 0.00 43.02 42.28 1d5m s PHE 148 CO 0.09 0.03 -0.14 -1.01 0.70 0.00 0.00 175.22 174.89 1d5m s HIS 149 N -0.66 1.24 0.07 0.36 3.76 -0.77 -1.33 115.29 117.96 1d5m s HIS 149 Ca 0.09 -0.31 0.05 0.00 -0.15 0.00 0.00 55.06 54.74 1d5m s HIS 149 Cb -0.09 -0.76 -0.03 0.00 1.11 0.00 0.00 32.58 32.82 1d5m s HIS 149 CO 0.00 0.02 -0.14 0.71 -0.85 0.00 0.00 174.74 174.48 1d5m s TYR 150 N -0.67 1.24 -0.28 1.40 1.51 0.32 -0.41 117.35 120.46 1d5m s TYR 150 Ca 0.03 -0.46 -0.00 0.00 -1.01 0.00 0.00 57.07 55.63 1d5m s TYR 150 Cb -0.07 -0.70 0.14 0.00 -0.11 0.00 0.00 41.96 41.22 1d5m s TYR 150 CO 0.01 0.06 0.32 -1.17 -1.11 0.00 0.00 175.55 173.66 1d5m s LEU 151 N -1.73 -0.39 0.44 -1.29 2.96 -0.49 -2.10 118.68 116.08 1d5m s LEU 151 Ca -0.02 -0.53 -0.25 0.00 -0.22 0.00 0.00 54.13 53.11 1d5m s LEU 151 Cb -0.10 0.69 -0.08 0.00 0.50 0.00 0.00 46.19 47.20 1d5m s LEU 151 CO 0.02 -0.37 1.34 -2.84 -1.32 0.00 0.00 176.35 173.18 1d5m s PRO 152 N 2.42 3.74 0.31 0.98 0.02 -1.26 -1.45 135.00 139.76 1d5m s PRO 152 Ca 0.10 2.22 -0.18 0.00 0.02 0.00 0.00 61.00 63.15 1d5m s PRO 152 Cb -0.14 -2.62 0.03 0.00 0.02 0.00 0.00 34.50 31.79 1d5m s PRO 152 CO -0.29 -0.70 0.72 -0.59 -0.33 0.00 0.00 177.00 175.81 1d5m s PHE 153 N -1.27 -0.03 -0.29 6.54 -0.12 -0.14 -4.90 117.98 117.77 1d5m s PHE 153 Ca 0.61 -0.49 -0.00 0.00 -0.05 0.00 0.00 56.93 56.99 1d5m s PHE 153 Cb -0.39 0.70 0.05 0.00 -0.63 0.00 0.00 43.02 42.75 1d5m s PHE 153 CO 0.50 -1.33 -0.02 -1.17 -0.05 0.00 0.00 175.22 173.15 1d5m s LEU 154 N -2.98 3.83 0.38 -1.99 2.96 -1.26 -1.28 118.68 118.33 1d5m s LEU 154 Ca 0.14 -1.34 -0.26 0.00 -0.22 0.00 0.00 54.13 52.45 1d5m s LEU 154 Cb -0.05 -1.67 -0.11 0.00 0.50 0.00 0.00 46.19 44.85 1d5m s LEU 154 CO 0.09 -0.25 1.19 -2.65 -1.32 0.00 0.00 176.35 173.41 1d5m n PRO 155 N 4.57 1.80 -3.58 0.98 -0.02 -1.26 -4.77 135.00 132.71 1d5m n PRO 155 Ca -0.13 0.64 -0.05 0.00 -2.02 0.00 0.00 63.50 61.94 1d5m n PRO 155 Cb 0.43 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 1d5m n PRO 155 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1d5m s SER 156 N -0.51 -0.18 0.40 2.55 1.04 -1.26 -1.26 113.70 114.48 1d5m s SER 156 Ca 0.59 -0.03 0.26 0.00 0.48 0.00 0.00 55.95 57.25 1d5m s SER 156 Cb -0.56 0.21 0.71 0.00 0.10 0.00 0.00 66.02 66.48 1d5m s SER 156 CO 0.59 -0.35 1.73 0.71 0.98 0.00 0.00 173.24 176.91 1d5m h THR 157 N 2.00 0.00 0.00 2.02 1.35 -1.95 -3.23 112.91 113.10 1d5m h THR 157 Ca -0.15 -0.72 -0.09 0.00 -0.55 0.00 0.00 66.41 64.90 1d5m h THR 157 Cb 1.19 1.70 -0.01 0.00 -1.73 0.00 0.00 68.15 69.30 1d5m h THR 157 CO 0.25 0.00 -0.42 -0.08 -0.25 0.00 0.00 175.52 175.02 1d5m h GLU 158 N 0.00 0.00 -5.61 4.72 4.57 -1.99 -3.45 114.58 112.83 1d5m h GLU 158 Ca 0.00 0.00 -0.66 0.00 -1.18 0.00 0.00 59.36 57.52 1d5m h GLU 158 Cb 0.79 0.00 -0.23 0.00 -0.16 0.00 0.00 28.75 29.15 1d5m h GLU 158 CO 0.00 0.42 -0.72 -0.51 -1.18 0.00 0.00 179.01 177.02 1d5m s ASP 159 N -6.41 4.38 0.16 1.04 1.01 -1.22 -4.96 116.67 110.67 1d5m s ASP 159 Ca 0.04 -0.19 0.10 0.00 0.71 0.00 0.00 52.55 53.21 1d5m s ASP 159 Cb 0.08 -1.48 -0.04 0.00 1.01 0.00 0.00 42.92 42.49 1d5m s ASP 159 CO 0.72 0.23 -0.21 0.68 0.21 0.00 0.00 175.17 176.80 1d5m s VAL 160 N -0.02 2.01 0.17 -1.27 -7.23 -1.26 -4.58 120.40 108.22 1d5m s VAL 160 Ca -0.01 -1.87 0.07 0.00 -1.81 0.00 0.00 61.98 58.35 1d5m s VAL 160 Cb -0.14 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 1d5m s VAL 160 CO 0.03 -0.17 -0.14 -0.31 -0.31 0.00 0.00 175.10 174.21 1d5m s TYR 161 N -1.67 1.56 -0.02 2.82 1.51 0.47 -0.69 117.35 121.33 1d5m s TYR 161 Ca 0.16 -0.59 -0.01 0.00 -1.01 0.00 0.00 57.07 55.61 1d5m s TYR 161 Cb -0.08 -0.76 0.01 0.00 -0.11 0.00 0.00 41.96 41.02 1d5m s TYR 161 CO 0.07 0.25 0.04 -0.51 -1.11 0.00 0.00 175.55 174.29 1d5m s ASP 162 N -3.01 -0.02 -0.40 2.29 1.01 -0.35 -0.32 116.67 115.87 1d5m s ASP 162 Ca 0.17 0.07 -0.14 0.00 0.71 0.00 0.00 52.55 53.36 1d5m s ASP 162 Cb -0.02 0.04 0.02 0.00 1.01 0.00 0.00 42.92 43.98 1d5m s ASP 162 CO 0.05 -0.04 0.27 0.00 0.21 0.00 0.00 175.17 175.66 1d5m s ARG 164 N 1.65 3.89 -0.15 0.00 3.52 0.13 -1.28 118.95 126.71 1d5m s ARG 164 Ca 0.04 0.01 0.01 0.00 -0.13 0.00 0.00 55.73 55.66 1d5m s ARG 164 Cb -0.19 -3.70 0.00 0.00 -1.56 0.00 0.00 34.95 29.50 1d5m s ARG 164 CO 0.09 -0.40 -0.18 0.08 -0.81 0.00 0.00 175.30 174.08 1d5m s VAL 165 N 2.18 2.40 -0.19 7.11 1.01 0.72 -0.86 120.40 132.77 1d5m s VAL 165 Ca 0.17 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 1d5m s VAL 165 Cb -0.16 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1d5m s VAL 165 CO 0.11 0.53 -0.03 -1.61 0.00 0.00 0.00 175.10 174.10 1d5m s GLU 166 N 0.80 3.54 -0.08 2.72 2.02 0.42 -0.85 118.70 127.28 1d5m s GLU 166 Ca -0.06 -0.56 -0.08 0.00 0.02 0.00 0.00 54.97 54.28 1d5m s GLU 166 Cb -0.15 -2.98 0.02 0.00 0.10 0.00 0.00 34.13 31.11 1d5m s GLU 166 CO -0.01 0.03 0.22 -1.58 0.02 0.00 0.00 175.26 173.95 1d5m s HIS 167 N 0.92 -0.23 -0.09 1.61 2.46 -1.26 -1.74 115.29 116.96 1d5m s HIS 167 Ca 0.00 0.54 0.22 0.00 0.47 0.00 0.00 55.06 56.29 1d5m s HIS 167 Cb -0.15 0.08 1.19 0.00 -0.13 0.00 0.00 32.58 33.58 1d5m s HIS 167 CO 0.01 -0.14 1.66 -1.49 -2.47 0.00 0.00 174.74 172.31 1d5m h TRP 168 N 5.59 0.00 -0.00 3.88 6.55 -1.95 0.43 115.95 130.45 1d5m h TRP 168 Ca -0.26 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.58 1d5m h TRP 168 Cb 1.19 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.49 1d5m h TRP 168 CO 0.42 0.00 -0.19 0.41 -1.05 0.00 0.00 178.44 178.03 1d5m n GLY 169 N -1.28 -1.13 3.53 1.49 0.00 -1.26 -4.77 105.19 101.77 1d5m n GLY 169 Ca -0.01 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 1d5m n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d5m s LEU 170 N -2.73 3.62 0.45 0.99 1.43 0.15 -4.55 118.68 118.04 1d5m s LEU 170 Ca 0.21 -0.09 0.18 0.00 -1.03 0.00 0.00 54.13 53.40 1d5m s LEU 170 Cb 0.19 -1.95 1.05 0.00 0.03 0.00 0.00 46.19 45.51 1d5m s LEU 170 CO 0.55 0.04 1.97 0.44 0.23 0.00 0.00 176.35 179.58 1d5m h ASP 171 N 7.69 0.00 -5.25 2.29 3.32 -1.86 -3.44 116.42 119.17 1d5m h ASP 171 Ca -0.37 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.56 1d5m h ASP 171 Cb 1.18 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.58 1d5m h ASP 171 CO 0.62 0.21 -0.56 -1.83 -1.72 0.00 0.00 179.24 175.96 1d5m s GLU 172 N -4.40 0.77 0.36 3.56 -1.05 -1.26 -5.13 118.70 111.55 1d5m s GLU 172 Ca -0.03 -1.18 -0.28 0.00 -0.15 0.00 0.00 54.97 53.33 1d5m s GLU 172 Cb 0.15 0.26 -0.12 0.00 -0.44 0.00 0.00 34.13 33.98 1d5m s GLU 172 CO 0.67 -0.20 1.38 -2.30 0.95 0.00 0.00 175.26 175.76 1d5m n PRO 173 N 0.01 2.36 -3.53 -4.83 -0.02 -1.26 -4.90 135.00 122.82 1d5m n PRO 173 Ca -0.12 0.83 -0.39 0.00 -2.02 0.00 0.00 63.50 61.80 1d5m n PRO 173 Cb 0.62 -2.48 -0.10 0.00 -0.02 0.00 0.00 33.50 31.51 1d5m n PRO 173 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1d5m s LEU 174 N -1.51 4.10 -0.29 2.45 2.96 -0.03 -4.90 118.68 121.46 1d5m s LEU 174 Ca 0.55 -0.01 -0.08 0.00 -0.22 0.00 0.00 54.13 54.37 1d5m s LEU 174 Cb -0.53 -2.19 -0.01 0.00 0.50 0.00 0.00 46.19 43.97 1d5m s LEU 174 CO 0.63 -0.11 0.10 -0.76 -1.32 0.00 0.00 176.35 174.89 1d5m s LEU 175 N 1.83 3.84 -0.36 -0.68 1.43 -1.26 -0.20 118.68 123.28 1d5m s LEU 175 Ca 0.09 -0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 52.53 1d5m s LEU 175 Cb -0.16 -1.93 -0.00 0.00 0.03 0.00 0.00 46.19 44.13 1d5m s LEU 175 CO 0.11 -0.16 0.25 -0.75 0.23 0.00 0.00 176.35 176.03 1d5m s LYS 176 N 1.57 3.27 0.38 1.70 2.47 -0.40 -4.89 119.74 123.84 1d5m s LYS 176 Ca 0.04 -0.80 -0.14 0.00 -1.56 0.00 0.00 55.97 53.51 1d5m s LYS 176 Cb -0.17 -3.84 -0.08 0.00 -1.46 0.00 0.00 37.83 32.28 1d5m s LYS 176 CO 0.04 -0.56 0.80 -1.58 0.16 0.00 0.00 175.35 174.21 1d5m s HIS 177 N 1.69 3.40 -0.08 4.03 2.46 -1.26 -1.10 115.29 124.43 1d5m s HIS 177 Ca 0.05 1.23 -0.05 0.00 0.47 0.00 0.00 55.06 56.77 1d5m s HIS 177 Cb -0.18 -2.57 0.03 0.00 -0.13 0.00 0.00 32.58 29.73 1d5m s HIS 177 CO 0.10 -0.04 0.19 -0.46 -2.47 0.00 0.00 174.74 172.05 1d5m s TRP 178 N -2.20 -0.22 0.13 3.88 -0.00 0.56 -4.89 118.94 116.19 1d5m s TRP 178 Ca 0.55 0.56 -0.12 0.00 -0.00 0.00 0.00 56.10 57.09 1d5m s TRP 178 Cb -0.10 0.02 0.01 0.00 -0.00 0.00 0.00 33.47 33.40 1d5m s TRP 178 CO 0.23 -0.15 0.30 -1.83 -0.00 0.00 0.00 176.95 175.49 1d5m s GLU 179 N 0.72 1.03 -0.10 5.86 -1.05 -1.26 -0.40 118.70 123.50 1d5m s GLU 179 Ca -0.05 -0.93 -0.30 0.00 -0.15 0.00 0.00 54.97 53.54 1d5m s GLU 179 Cb -0.07 0.40 -0.03 0.00 -0.44 0.00 0.00 34.13 34.00 1d5m s GLU 179 CO -0.04 -0.37 1.29 0.12 0.95 0.00 0.00 175.26 177.21 1d5m s PHE 180 N -3.87 2.89 -1.88 4.83 5.99 -1.26 -5.07 117.98 119.61 1d5m s PHE 180 Ca 0.08 0.99 0.15 0.00 0.00 0.00 0.00 56.93 58.14 1d5m s PHE 180 Cb 0.03 -3.53 0.12 0.00 0.00 0.00 0.00 43.02 39.64 1d5m s PHE 180 CO -0.08 -1.84 0.98 -0.25 -0.00 0.00 0.00 175.22 174.03