#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mrl n GLY 2 N 0.00 1.04 3.77 -5.12 0.00 -1.26 -5.03 105.19 98.60 1mrl n GLY 2 Ca 0.00 -2.17 -0.33 0.00 0.00 0.00 0.00 46.02 43.51 1mrl n GLY 2 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1mrl s PRO 3 N -1.31 2.96 -0.28 1.61 0.02 -1.26 -4.97 135.00 131.78 1mrl s PRO 3 Ca 0.00 1.41 -0.29 0.00 0.02 0.00 0.00 61.00 62.14 1mrl s PRO 3 Cb 0.00 -1.97 -0.00 0.00 0.02 0.00 0.00 34.50 32.55 1mrl s PRO 3 CO 0.00 -1.12 1.29 1.21 -0.33 0.00 0.00 177.00 178.05 1mrl s ASN 4 N -2.45 6.72 0.16 2.53 3.84 -1.26 -4.89 114.94 119.59 1mrl s ASN 4 Ca 0.68 1.29 0.09 0.00 0.21 0.00 0.00 52.86 55.13 1mrl s ASN 4 Cb -0.21 -2.54 0.51 0.00 -0.55 0.00 0.00 41.25 38.47 1mrl s ASN 4 CO 0.38 -1.02 1.25 -2.65 -2.79 0.00 0.00 177.10 172.28 1mrl n PRO 5 N 7.18 0.06 -0.38 0.43 -0.02 -1.26 -2.03 135.00 138.98 1mrl n PRO 5 Ca 0.15 0.53 0.07 0.00 -2.02 0.00 0.00 63.50 62.23 1mrl n PRO 5 Cb 0.46 -1.76 0.21 0.00 -0.02 0.00 0.00 33.50 32.39 1mrl n PRO 5 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1mrl n MET 6 N -1.82 2.19 -3.84 -0.52 2.81 -1.26 -4.60 117.12 110.08 1mrl n MET 6 Ca -0.01 -2.83 -0.36 0.00 -1.81 0.00 0.00 57.70 52.70 1mrl n MET 6 Cb 0.07 -1.72 -0.10 0.00 -0.71 0.00 0.00 33.22 30.76 1mrl n MET 6 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1mrl s LYS 7 N -2.92 3.92 0.30 0.03 1.02 -0.86 -4.88 119.74 116.34 1mrl s LYS 7 Ca 0.39 -0.35 0.01 0.00 0.02 0.00 0.00 55.97 56.04 1mrl s LYS 7 Cb 0.33 -3.35 0.56 0.00 -0.52 0.00 0.00 37.83 34.85 1mrl s LYS 7 CO 0.05 0.09 1.87 0.52 -0.92 0.00 0.00 175.35 176.96 1mrl h MET 8 N 7.35 0.97 -3.39 1.68 2.86 -1.90 -3.30 114.93 119.20 1mrl h MET 8 Ca -0.37 -0.06 -0.63 0.00 -2.06 0.00 0.00 59.70 56.58 1mrl h MET 8 Cb 1.17 -0.22 -0.41 0.00 0.06 0.00 0.00 31.60 32.21 1mrl h MET 8 CO 0.65 0.64 -0.68 0.71 1.06 0.00 0.00 176.91 179.30 1mrl s TYR 9 N -5.92 2.81 0.36 -0.22 1.51 -1.26 -2.19 117.35 112.44 1mrl s TYR 9 Ca -0.12 -2.88 0.03 0.00 -1.01 0.00 0.00 57.07 53.10 1mrl s TYR 9 Cb 0.21 -2.50 0.68 0.00 -0.11 0.00 0.00 41.96 40.23 1mrl s TYR 9 CO 0.80 -0.78 2.00 -1.35 -1.11 0.00 0.00 175.55 175.12 1mrl h PRO 10 N 6.73 0.74 -3.87 -1.71 0.11 -1.75 -3.36 132.00 128.90 1mrl h PRO 10 Ca -0.06 -0.06 -0.72 0.00 0.11 0.00 0.00 66.00 65.28 1mrl h PRO 10 Cb 0.92 -0.16 -0.33 0.00 0.11 0.00 0.00 31.00 31.54 1mrl h PRO 10 CO 0.60 0.52 -0.32 0.42 -0.21 0.00 0.00 178.00 179.00 1mrl s ILE 11 N -5.59 4.03 0.28 4.15 1.01 -1.26 -4.89 121.20 118.93 1mrl s ILE 11 Ca -0.09 -2.57 -0.30 0.00 0.00 0.00 0.00 60.65 57.69 1mrl s ILE 11 Cb 0.17 -3.62 -0.11 0.00 0.01 0.00 0.00 42.46 38.92 1mrl s ILE 11 CO 0.76 -0.86 1.51 -0.70 0.00 0.00 0.00 174.94 175.65 1mrl s GLU 12 N 0.37 4.19 0.00 2.79 2.56 -1.26 -1.73 118.70 125.62 1mrl s GLU 12 Ca 0.14 2.45 0.00 0.00 0.00 0.00 0.00 54.97 57.56 1mrl s GLU 12 Cb -0.20 -3.06 0.00 0.00 2.00 0.00 0.00 34.13 32.87 1mrl s GLU 12 CO -0.04 -0.52 0.00 0.41 -0.56 0.00 0.00 175.26 174.56 1mrl n GLY 13 N 1.97 0.89 3.14 -1.50 0.00 -1.26 -5.01 105.19 103.41 1mrl n GLY 13 Ca 0.07 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 45.99 1mrl n GLY 13 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mrl s ASN 14 N -2.10 -1.34 -0.15 1.61 3.84 -0.71 -5.03 114.94 111.06 1mrl s ASN 14 Ca 0.00 -0.62 0.01 0.00 0.21 0.00 0.00 52.86 52.46 1mrl s ASN 14 Cb 0.00 1.72 0.22 0.00 -0.55 0.00 0.00 41.25 42.64 1mrl s ASN 14 CO 0.00 -0.16 1.32 2.29 -2.79 0.00 0.00 177.10 177.77 1mrl n LYS 15 N 4.37 1.42 -0.06 0.43 -0.00 -1.26 -3.92 118.16 119.14 1mrl n LYS 15 Ca 0.10 -1.00 -0.09 0.00 -0.00 0.00 0.00 58.31 57.32 1mrl n LYS 15 Cb 0.58 -1.39 -0.05 0.00 -0.00 0.00 0.00 35.03 34.17 1mrl n LYS 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1mrl n SER 16 N -0.03 2.42 -4.68 -5.58 3.41 -1.26 -4.89 113.62 103.01 1mrl n SER 16 Ca 0.20 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.39 1mrl n SER 16 Cb 0.88 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 64.57 1mrl n SER 16 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1mrl s VAL 17 N -2.22 4.57 0.01 -3.33 1.01 -1.25 -2.10 120.40 117.08 1mrl s VAL 17 Ca -0.16 1.87 0.03 0.00 0.00 0.00 0.00 61.98 63.72 1mrl s VAL 17 Cb 0.05 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 1mrl s VAL 17 CO 0.25 -0.06 -0.08 0.00 0.00 0.00 0.00 175.10 175.21 1mrl s GLN 18 N 2.52 0.62 -0.19 2.72 -2.07 -0.75 -4.30 119.66 118.21 1mrl s GLN 18 Ca 0.50 -0.41 -0.28 0.00 -1.82 0.00 0.00 55.36 53.35 1mrl s GLN 18 Cb -0.19 -0.57 -0.00 0.00 -1.09 0.00 0.00 33.01 31.15 1mrl s GLN 18 CO 0.16 0.15 0.97 -0.06 -1.32 0.00 0.00 175.29 175.18 1mrl s PHE 19 N -0.46 3.40 0.14 9.60 2.99 -0.93 -0.92 117.98 131.80 1mrl s PHE 19 Ca 0.00 1.42 -0.13 0.00 0.00 0.00 0.00 56.93 58.22 1mrl s PHE 19 Cb -0.05 -3.17 -0.00 0.00 0.00 0.00 0.00 43.02 39.80 1mrl s PHE 19 CO 0.00 -0.36 1.58 0.82 -0.00 0.00 0.00 175.22 177.26 1mrl h ILE 20 N 5.31 1.26 0.05 0.64 2.04 -1.77 -3.27 117.51 121.77 1mrl h ILE 20 Ca -0.25 -1.08 0.03 0.00 1.00 0.00 0.00 64.86 64.56 1mrl h ILE 20 Cb 1.10 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 1mrl h ILE 20 CO 0.91 0.37 -0.29 0.50 0.00 0.00 0.00 178.15 179.64 1mrl h LYS 21 N 0.65 -0.45 0.00 2.37 3.64 -1.79 -0.07 116.57 120.91 1mrl h LYS 21 Ca 0.12 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1mrl h LYS 21 Cb 0.53 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1mrl h LYS 21 CO 0.03 -0.30 -0.01 -1.35 -2.27 0.00 0.00 179.45 175.54 1mrl h PRO 22 N -0.47 0.00 0.05 1.90 0.11 -1.85 -1.93 132.00 129.81 1mrl h PRO 22 Ca 0.05 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.87 1mrl h PRO 22 Cb 0.53 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.61 1mrl h PRO 22 CO -0.21 0.01 -1.52 0.82 -0.21 0.00 0.00 178.00 176.88 1mrl h ILE 23 N 0.00 1.12 -0.61 4.15 2.04 -1.42 -3.36 117.51 119.43 1mrl h ILE 23 Ca -0.00 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 63.00 1mrl h ILE 23 Cb 0.03 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1mrl h ILE 23 CO 0.00 0.73 0.00 0.18 0.00 0.00 0.00 178.15 179.06 1mrl n LEU 24 N -3.28 4.93 0.26 1.44 4.77 -0.11 -4.43 117.00 120.57 1mrl n LEU 24 Ca -0.14 -2.57 0.14 0.00 -0.03 0.00 0.00 56.01 53.40 1mrl n LEU 24 Cb 1.02 -0.60 0.68 0.00 -2.33 0.00 0.00 43.42 42.20 1mrl n LEU 24 CO 0.47 0.77 0.94 -0.33 -1.33 0.00 0.00 177.39 177.91 1mrl h GLU 25 N 3.94 0.00 0.00 3.23 4.39 -1.51 -2.88 114.58 121.75 1mrl h GLU 25 Ca 0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1mrl h GLU 25 Cb 1.56 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.20 1mrl h GLU 25 CO 0.29 0.12 -0.85 1.57 -1.16 0.00 0.00 179.01 178.97 1mrl h LYS 26 N 0.00 0.00 -6.76 2.33 5.09 -1.88 -3.47 116.57 111.88 1mrl h LYS 26 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 60.65 60.22 1mrl h LYS 26 Cb 0.47 0.00 0.03 0.00 0.10 0.00 0.00 32.23 32.83 1mrl h LYS 26 CO 0.02 0.17 0.57 -0.51 -2.09 0.00 0.00 179.45 177.61 1mrl s LEU 27 N -5.82 4.47 0.33 7.07 1.43 -1.09 -5.02 118.68 120.05 1mrl s LEU 27 Ca 0.01 2.39 -0.21 0.00 -1.03 0.00 0.00 54.13 55.29 1mrl s LEU 27 Cb 0.08 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.58 1mrl s LEU 27 CO 0.77 -0.38 0.86 -0.70 0.23 0.00 0.00 176.35 177.13 1mrl s GLU 28 N -0.94 4.30 -1.74 1.70 2.12 -1.26 -3.92 118.70 118.96 1mrl s GLU 28 Ca 0.50 1.05 0.00 0.00 0.36 0.00 0.00 54.97 56.88 1mrl s GLU 28 Cb -0.35 -2.56 0.00 0.00 0.26 0.00 0.00 34.13 31.48 1mrl s GLU 28 CO 0.42 0.19 0.00 0.09 -0.54 0.00 0.00 175.26 175.42 1mrl n ASN 29 N 0.06 -5.04 -3.75 -1.70 3.02 -1.26 -4.97 115.26 101.61 1mrl n ASN 29 Ca 0.03 0.34 -0.29 0.00 -0.03 0.00 0.00 54.58 54.62 1mrl n ASN 29 Cb 0.52 -4.06 -0.16 0.00 -0.61 0.00 0.00 39.78 35.48 1mrl n ASN 29 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1mrl s VAL 30 N -2.67 0.81 -0.29 2.41 1.01 -1.25 -0.73 120.40 119.69 1mrl s VAL 30 Ca 0.00 -1.08 -0.10 0.00 0.00 0.00 0.00 61.98 60.80 1mrl s VAL 30 Cb 0.00 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 1mrl s VAL 30 CO 0.00 -0.45 0.16 -0.70 0.00 0.00 0.00 175.10 174.11 1mrl s GLU 31 N 1.68 3.62 -0.01 2.72 2.12 -0.40 -4.88 118.70 123.55 1mrl s GLU 31 Ca 0.04 -0.53 0.07 0.00 0.36 0.00 0.00 54.97 54.91 1mrl s GLU 31 Cb -0.17 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.62 1mrl s GLU 31 CO -0.17 -0.30 -0.22 0.08 -0.54 0.00 0.00 175.26 174.11 1mrl s VAL 32 N 1.68 1.75 0.61 3.70 1.01 -1.26 -0.85 120.40 127.03 1mrl s VAL 32 Ca 0.06 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 61.01 1mrl s VAL 32 Cb -0.16 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.78 1mrl s VAL 32 CO 0.08 0.47 0.92 -0.83 0.00 0.00 0.00 175.10 175.74 1mrl s GLY 33 N -0.59 1.62 0.57 4.51 0.00 -0.15 -4.78 107.32 108.51 1mrl s GLY 33 Ca 0.09 -0.74 -0.17 0.00 0.00 0.00 0.00 44.72 43.90 1mrl s GLY 33 CO -0.01 -0.43 1.06 -0.54 0.00 0.00 0.00 173.10 173.18 1mrl s GLU 34 N -5.04 3.40 0.00 2.90 8.01 -1.26 -3.82 118.70 122.89 1mrl s GLU 34 Ca 0.55 1.29 0.00 0.00 0.01 0.00 0.00 54.97 56.82 1mrl s GLU 34 Cb -0.11 -2.04 0.00 0.00 -4.31 0.00 0.00 34.13 27.68 1mrl s GLU 34 CO 0.45 -0.75 0.00 0.66 0.01 0.00 0.00 175.26 175.63 1mrl n TYR 35 N -1.73 0.00 -2.05 1.61 4.02 -1.26 -2.09 117.16 115.66 1mrl n TYR 35 Ca 0.09 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.57 1mrl n TYR 35 Cb 0.53 -0.24 -0.02 0.00 -0.02 0.00 0.00 39.34 39.59 1mrl n TYR 35 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1mrl s SER 36 N -1.91 6.70 0.21 7.72 0.01 -1.25 -4.46 113.70 120.72 1mrl s SER 36 Ca 0.00 2.64 0.05 0.00 1.31 0.00 0.00 55.95 59.95 1mrl s SER 36 Cb 0.00 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 1mrl s SER 36 CO 0.00 -0.65 -0.07 -0.72 0.41 0.00 0.00 173.24 172.21 1mrl s TYR 37 N -0.22 1.55 -0.02 2.43 -0.85 -0.73 -2.14 117.35 117.38 1mrl s TYR 37 Ca 0.57 -0.78 0.06 0.00 -0.52 0.00 0.00 57.07 56.41 1mrl s TYR 37 Cb -0.41 -0.83 -0.02 0.00 0.38 0.00 0.00 41.96 41.08 1mrl s TYR 37 CO 0.45 0.12 -0.20 -0.47 -1.52 0.00 0.00 175.55 173.92 1mrl s TYR 38 N -3.25 1.84 -0.48 -3.49 5.04 -0.09 -1.87 117.35 115.05 1mrl s TYR 38 Ca 0.24 -0.36 -0.13 0.00 -2.44 0.00 0.00 57.07 54.38 1mrl s TYR 38 Cb 0.03 -1.19 0.10 0.00 0.35 0.00 0.00 41.96 41.25 1mrl s TYR 38 CO 0.06 -0.04 0.38 0.34 -1.34 0.00 0.00 175.55 174.95 1mrl s ASP 39 N -0.45 5.95 0.51 4.32 2.15 -0.45 -1.82 116.67 126.88 1mrl s ASP 39 Ca 0.07 -1.61 -0.22 0.00 0.43 0.00 0.00 52.55 51.22 1mrl s ASP 39 Cb -0.08 -2.11 -0.06 0.00 -0.30 0.00 0.00 42.92 40.37 1mrl s ASP 39 CO -0.01 -0.68 1.30 -0.55 -0.17 0.00 0.00 175.17 175.06 1mrl s SER 40 N 2.75 5.58 -0.15 -0.34 0.15 -0.89 -2.41 113.70 118.39 1mrl s SER 40 Ca 0.04 2.63 -0.08 0.00 0.70 0.00 0.00 55.95 59.24 1mrl s SER 40 Cb -0.26 -2.63 -0.24 0.00 -1.71 0.00 0.00 66.02 61.19 1mrl s SER 40 CO 0.03 -1.34 0.27 1.17 1.20 0.00 0.00 173.24 174.56 1mrl n LYS 41 N -0.81 0.72 -0.41 5.44 4.81 -1.26 -4.68 118.16 121.97 1mrl n LYS 41 Ca 0.09 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 1mrl n LYS 41 Cb 0.46 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.82 1mrl n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1mrl n ASN 42 N -3.62 0.09 0.00 3.14 3.02 -1.26 -4.98 115.26 111.64 1mrl n ASN 42 Ca -0.34 -1.89 0.00 0.00 -0.03 0.00 0.00 54.58 52.32 1mrl n ASN 42 Cb 0.99 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.98 1mrl n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mrl n GLY 43 N -0.05 0.56 3.79 7.41 0.00 -1.26 -5.09 105.19 110.56 1mrl n GLY 43 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1mrl n GLY 43 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mrl s GLU 44 N -0.81 3.55 0.14 1.61 1.03 -1.26 -5.04 118.70 117.91 1mrl s GLU 44 Ca 0.00 1.40 -0.11 0.00 0.03 0.00 0.00 54.97 56.29 1mrl s GLU 44 Cb 0.00 -2.05 -0.06 0.00 -0.80 0.00 0.00 34.13 31.21 1mrl s GLU 44 CO 0.00 -0.65 0.48 0.95 -1.33 0.00 0.00 175.26 174.71 1mrl s THR 45 N -2.03 4.99 0.60 1.83 -4.23 -1.26 -4.75 115.64 110.79 1mrl s THR 45 Ca 0.68 0.54 0.28 0.00 -1.18 0.00 0.00 61.69 62.01 1mrl s THR 45 Cb -0.18 -3.67 0.38 0.00 1.34 0.00 0.00 72.50 70.37 1mrl s THR 45 CO 0.26 0.17 1.73 0.15 -0.54 0.00 0.00 174.62 176.39 1mrl h PHE 46 N 3.33 0.00 0.00 3.99 3.57 -1.97 0.43 116.94 126.28 1mrl h PHE 46 Ca -0.48 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.00 1mrl h PHE 46 Cb 1.19 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 1mrl h PHE 46 CO 0.64 0.00 -0.08 0.38 -2.23 0.00 0.00 178.31 177.03 1mrl h ASP 47 N 0.00 0.00 0.49 0.41 2.03 -1.93 -0.71 116.42 116.71 1mrl h ASP 47 Ca 0.28 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.58 1mrl h ASP 47 Cb 1.64 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.14 1mrl h ASP 47 CO -0.00 0.08 0.00 0.29 -1.03 0.00 0.00 179.24 178.57 1mrl n LYS 48 N -3.52 0.51 0.00 4.15 4.76 0.14 -3.16 118.16 121.05 1mrl n LYS 48 Ca -0.02 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.53 1mrl n LYS 48 Cb 0.20 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.91 1mrl n LYS 48 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1mrl n GLN 49 N -1.24 0.13 -3.24 1.97 1.13 -0.27 -4.83 117.38 111.02 1mrl n GLN 49 Ca 0.16 -0.10 -0.40 0.00 -1.94 0.00 0.00 57.00 54.72 1mrl n GLN 49 Cb 0.22 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 29.00 1mrl n GLN 49 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1mrl s ILE 50 N -2.94 5.05 0.17 5.09 -1.09 -1.19 -1.98 121.20 124.31 1mrl s ILE 50 Ca 0.10 0.69 0.11 0.00 -2.23 0.00 0.00 60.65 59.32 1mrl s ILE 50 Cb 0.17 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 1mrl s ILE 50 CO 0.78 -0.02 -0.23 -0.76 -1.23 0.00 0.00 174.94 173.48 1mrl s LEU 51 N 2.35 2.47 -1.36 2.97 1.43 -0.58 -4.77 118.68 121.19 1mrl s LEU 51 Ca 0.20 -0.78 -0.06 0.00 -1.03 0.00 0.00 54.13 52.47 1mrl s LEU 51 Cb -0.15 -1.26 0.03 0.00 0.03 0.00 0.00 46.19 44.83 1mrl s LEU 51 CO 0.11 0.14 0.95 -1.22 0.23 0.00 0.00 176.35 176.56 1mrl n TYR 52 N 0.48 -2.29 -3.69 0.29 4.02 -1.26 -1.25 117.16 113.46 1mrl n TYR 52 Ca -0.14 0.92 -0.38 0.00 -0.01 0.00 0.00 57.90 58.28 1mrl n TYR 52 Cb 0.55 -4.57 -0.11 0.00 -0.02 0.00 0.00 39.34 35.19 1mrl n TYR 52 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1mrl s HIS 53 N -3.43 3.46 -0.21 -0.72 2.46 -1.26 -1.19 115.29 114.40 1mrl s HIS 53 Ca 0.31 -2.02 -0.04 0.00 0.47 0.00 0.00 55.06 53.78 1mrl s HIS 53 Cb -0.15 -3.14 -0.01 0.00 -0.13 0.00 0.00 32.58 29.15 1mrl s HIS 53 CO 0.78 -0.93 -0.04 0.71 -2.47 0.00 0.00 174.74 172.79 1mrl s TYR 54 N 1.28 2.97 0.52 3.88 1.51 -1.26 -5.00 117.35 121.25 1mrl s TYR 54 Ca 0.05 -0.77 0.33 0.00 -1.01 0.00 0.00 57.07 55.68 1mrl s TYR 54 Cb -0.23 -2.08 1.48 0.00 -0.11 0.00 0.00 41.96 41.02 1mrl s TYR 54 CO -0.02 -0.43 1.83 -1.35 -1.11 0.00 0.00 175.55 174.47 1mrl h PRO 55 N 7.81 0.05 0.00 -1.71 0.11 -1.96 -0.31 132.00 135.99 1mrl h PRO 55 Ca -0.38 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 1mrl h PRO 55 Cb 1.17 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1mrl h PRO 55 CO 0.60 0.03 -0.05 0.97 -0.21 0.00 0.00 178.00 179.34 1mrl h ILE 56 N 0.05 0.12 0.00 4.15 2.10 -1.99 -2.58 117.51 119.37 1mrl h ILE 56 Ca 0.53 -0.64 0.00 0.00 1.08 0.00 0.00 64.86 65.83 1mrl h ILE 56 Cb 2.01 1.56 0.00 0.00 -1.09 0.00 0.00 36.82 39.30 1mrl h ILE 56 CO -0.04 0.05 -0.43 -0.07 -1.08 0.00 0.00 178.15 176.58 1mrl h LEU 57 N 0.00 0.00 0.00 2.19 3.38 -1.48 -3.48 115.31 115.93 1mrl h LEU 57 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1mrl h LEU 57 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1mrl h LEU 57 CO 0.01 0.01 0.00 -3.20 0.09 0.00 0.00 178.44 175.34 1mrl n ASN 58 N -2.81 -3.06 -4.79 -0.43 4.05 -0.97 -5.00 115.26 102.25 1mrl n ASN 58 Ca 0.03 0.00 -0.35 0.00 0.45 0.00 0.00 54.58 54.71 1mrl n ASN 58 Cb 0.52 -1.77 -0.03 0.00 1.23 0.00 0.00 39.78 39.74 1mrl n ASN 58 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 177.26 175.72 1mrl s ASP 59 N -2.16 6.34 0.16 1.20 -4.77 -1.26 -5.05 116.67 111.13 1mrl s ASP 59 Ca 0.00 2.02 0.09 0.00 -3.30 0.00 0.00 52.55 51.36 1mrl s ASP 59 Cb 0.00 -2.57 -0.04 0.00 -1.09 0.00 0.00 42.92 39.22 1mrl s ASP 59 CO 0.00 -0.78 -0.20 -0.54 0.70 0.00 0.00 175.17 174.35 1mrl s LYS 60 N -3.01 1.28 -0.15 2.11 -0.14 -1.26 -4.91 119.74 113.65 1mrl s LYS 60 Ca 0.65 -1.38 -0.01 0.00 -1.36 0.00 0.00 55.97 53.88 1mrl s LYS 60 Cb -0.20 -1.41 -0.01 0.00 -1.68 0.00 0.00 37.83 34.53 1mrl s LYS 60 CO 0.24 0.30 -0.12 -1.17 -0.76 0.00 0.00 175.35 173.84 1mrl s LEU 61 N -2.52 2.70 -0.13 3.17 2.96 0.09 -2.10 118.68 122.85 1mrl s LEU 61 Ca 0.15 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1mrl s LEU 61 Cb -0.07 -1.63 0.02 0.00 0.50 0.00 0.00 46.19 45.01 1mrl s LEU 61 CO 0.07 0.11 -0.15 -1.59 -1.32 0.00 0.00 176.35 173.46 1mrl s LYS 62 N 0.69 2.29 -0.08 1.98 0.00 0.26 -1.27 119.74 123.60 1mrl s LYS 62 Ca -0.06 -0.57 0.04 0.00 0.00 0.00 0.00 55.97 55.38 1mrl s LYS 62 Cb -0.15 -2.01 0.00 0.00 0.00 0.00 0.00 37.83 35.67 1mrl s LYS 62 CO 0.02 -0.14 -0.21 0.42 0.00 0.00 0.00 175.35 175.44 1mrl s ILE 63 N 1.21 1.81 0.00 3.79 1.01 -0.03 0.10 121.20 129.08 1mrl s ILE 63 Ca -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1mrl s ILE 63 Cb -0.14 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.76 1mrl s ILE 63 CO -0.06 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.00 1mrl n GLY 64 N 3.52 -1.44 3.73 6.18 0.00 -0.59 -0.97 105.19 115.62 1mrl n GLY 64 Ca -0.20 -1.39 -0.22 0.00 0.00 0.00 0.00 46.02 44.21 1mrl n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mrl s LYS 65 N 0.00 2.60 -1.29 1.61 -0.14 -1.26 -2.22 119.74 119.03 1mrl s LYS 65 Ca 0.00 -1.25 -0.01 0.00 -1.36 0.00 0.00 55.97 53.35 1mrl s LYS 65 Cb 0.00 -2.35 -0.00 0.00 -1.68 0.00 0.00 37.83 33.79 1mrl s LYS 65 CO 0.00 0.37 0.72 1.19 -0.76 0.00 0.00 175.35 176.86 1mrl n PHE 66 N -1.05 -1.93 -4.09 3.18 3.01 -0.89 -1.19 117.46 114.51 1mrl n PHE 66 Ca -0.07 0.83 -0.27 0.00 1.01 0.00 0.00 57.45 58.96 1mrl n PHE 66 Cb 0.59 -4.38 -0.06 0.00 -0.01 0.00 0.00 39.48 35.61 1mrl n PHE 66 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1mrl s SER 68 N -3.02 4.62 -0.42 0.00 0.01 0.00 -1.77 113.70 113.12 1mrl s SER 68 Ca 0.30 -1.77 -0.10 0.00 1.31 0.00 0.00 55.95 55.70 1mrl s SER 68 Cb -0.10 -1.60 0.07 0.00 0.21 0.00 0.00 66.02 64.61 1mrl s SER 68 CO 0.23 -0.29 0.27 -0.63 0.41 0.00 0.00 173.24 173.24 1mrl s ILE 69 N 1.01 4.40 1.02 1.44 -1.09 -0.78 -0.61 121.20 126.58 1mrl s ILE 69 Ca 0.01 -1.30 -0.12 0.00 -2.23 0.00 0.00 60.65 57.01 1mrl s ILE 69 Cb -0.20 -3.66 0.20 0.00 -1.58 0.00 0.00 42.46 37.22 1mrl s ILE 69 CO -0.06 -0.49 1.08 -0.83 -1.23 0.00 0.00 174.94 173.41 1mrl s GLY 70 N 2.13 1.60 0.35 6.18 0.00 -0.35 -1.34 107.32 115.89 1mrl s GLY 70 Ca 0.03 0.07 -0.29 0.00 0.00 0.00 0.00 44.72 44.53 1mrl s GLY 70 CO 0.03 0.64 1.51 2.56 0.00 0.00 0.00 173.10 177.84 1mrl s PRO 71 N -4.67 4.12 0.00 2.90 0.04 -1.01 -3.14 135.00 133.24 1mrl s PRO 71 Ca 0.66 2.56 0.00 0.00 0.04 0.00 0.00 61.00 64.27 1mrl s PRO 71 Cb -0.22 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.33 1mrl s PRO 71 CO 0.60 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.50 1mrl n GLY 72 N 0.97 1.76 3.70 0.56 0.00 -1.26 -1.09 105.19 109.83 1mrl n GLY 72 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1mrl n GLY 72 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1mrl n VAL 73 N -2.00 1.84 -4.35 1.61 0.31 -1.19 -4.33 118.33 110.22 1mrl n VAL 73 Ca 0.00 -0.46 -0.20 0.00 -0.01 0.00 0.00 64.34 63.67 1mrl n VAL 73 Cb 0.00 -1.58 -0.16 0.00 -0.91 0.00 0.00 33.84 31.19 1mrl n VAL 73 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1mrl s THR 74 N -0.93 0.73 -0.22 2.52 2.01 -0.17 -4.83 115.64 114.74 1mrl s THR 74 Ca 0.57 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 62.22 1mrl s THR 74 Cb -0.57 -0.66 -0.00 0.00 0.01 0.00 0.00 72.50 71.28 1mrl s THR 74 CO 0.60 0.23 -0.05 -0.63 -0.69 0.00 0.00 174.62 174.09 1mrl s ILE 75 N 0.27 3.24 -0.28 1.82 1.01 -0.84 -0.54 121.20 125.89 1mrl s ILE 75 Ca -0.04 -0.59 -0.13 0.00 0.00 0.00 0.00 60.65 59.88 1mrl s ILE 75 Cb -0.09 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 1mrl s ILE 75 CO 0.00 0.39 0.30 -0.63 0.00 0.00 0.00 174.94 175.00 1mrl s ILE 76 N 1.45 5.23 0.50 2.92 -1.09 0.94 -1.53 121.20 129.62 1mrl s ILE 76 Ca 0.05 0.34 -0.01 0.00 -2.23 0.00 0.00 60.65 58.79 1mrl s ILE 76 Cb -0.15 -3.64 0.10 0.00 -1.58 0.00 0.00 42.46 37.19 1mrl s ILE 76 CO -0.04 0.16 0.68 0.23 -1.23 0.00 0.00 174.94 174.74 1mrl n MET 77 N 5.22 0.02 0.00 2.79 2.81 -0.38 -2.54 117.12 125.05 1mrl n MET 77 Ca -0.11 -1.73 0.09 0.00 -1.81 0.00 0.00 57.70 54.14 1mrl n MET 77 Cb 0.51 -0.49 0.48 0.00 -0.71 0.00 0.00 33.22 33.01 1mrl n MET 77 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1mrl n ASN 78 N -3.01 0.00 0.24 7.83 3.02 -1.24 -3.58 115.26 118.51 1mrl n ASN 78 Ca 0.11 -0.12 0.16 0.00 -0.03 0.00 0.00 54.58 54.70 1mrl n ASN 78 Cb 0.39 -0.22 0.78 0.00 -0.61 0.00 0.00 39.78 40.12 1mrl n ASN 78 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1mrl h GLY 79 N 2.97 0.00 2.00 7.41 0.00 -1.47 -2.83 103.07 111.16 1mrl h GLY 79 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1mrl h GLY 79 CO 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 176.44 1mrl h ALA 80 N 2.06 0.95 -2.67 3.60 0.00 -1.78 -3.46 119.26 117.96 1mrl h ALA 80 Ca 0.00 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.29 1mrl h ALA 80 Cb 0.22 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 18.04 1mrl h ALA 80 CO 0.00 0.13 0.81 -0.80 0.00 0.00 0.00 179.25 179.39 1mrl s ASN 81 N -6.12 6.63 0.33 0.00 0.01 -1.07 -5.04 114.94 109.68 1mrl s ASN 81 Ca 0.04 2.62 0.06 0.00 -0.71 0.00 0.00 52.86 54.87 1mrl s ASN 81 Cb 0.07 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 1mrl s ASN 81 CO 0.65 -0.76 0.47 -1.00 -1.51 0.00 0.00 177.10 174.95 1mrl s HIS 82 N 0.60 3.19 0.44 2.20 3.76 -1.26 -5.09 115.29 119.13 1mrl s HIS 82 Ca 0.65 -0.14 -0.24 0.00 -0.15 0.00 0.00 55.06 55.18 1mrl s HIS 82 Cb -0.42 -1.94 -0.08 0.00 1.11 0.00 0.00 32.58 31.25 1mrl s HIS 82 CO 0.37 0.05 1.18 0.50 -0.85 0.00 0.00 174.74 175.98 1mrl s ARG 83 N -4.17 3.85 0.00 1.40 3.52 -1.26 -4.97 118.95 117.32 1mrl s ARG 83 Ca 0.43 1.82 0.00 0.00 -0.13 0.00 0.00 55.73 57.85 1mrl s ARG 83 Cb -0.09 -2.50 0.00 0.00 -1.56 0.00 0.00 34.95 30.79 1mrl s ARG 83 CO 0.31 -0.49 0.54 -1.33 -0.81 0.00 0.00 175.30 173.53 1mrl n MET 84 N -0.30 0.59 0.00 5.12 2.81 -1.26 -4.26 117.12 119.83 1mrl n MET 84 Ca 0.06 -0.65 0.14 0.00 -1.81 0.00 0.00 57.70 55.44 1mrl n MET 84 Cb 0.47 -0.63 0.60 0.00 -0.71 0.00 0.00 33.22 32.96 1mrl n MET 84 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1mrl n ASP 85 N -0.11 0.25 0.00 7.83 5.75 -1.26 -4.89 116.55 124.13 1mrl n ASP 85 Ca 0.00 -0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.60 1mrl n ASP 85 Cb 0.39 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1mrl n ASP 85 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mrl n GLY 86 N 1.36 3.63 3.78 6.12 0.00 -1.26 -5.14 105.19 113.68 1mrl n GLY 86 Ca 0.11 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1mrl n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1mrl s SER 87 N 1.58 6.11 0.00 1.61 0.15 -1.26 -4.96 113.70 116.93 1mrl s SER 87 Ca 0.00 2.12 0.22 0.00 0.70 0.00 0.00 55.95 58.99 1mrl s SER 87 Cb 0.00 -2.58 0.52 0.00 -1.71 0.00 0.00 66.02 62.25 1mrl s SER 87 CO 0.00 -0.95 1.44 0.35 1.20 0.00 0.00 173.24 175.28 1mrl n THR 88 N -0.89 0.48 -2.47 6.45 -2.24 -1.26 -4.64 114.28 109.72 1mrl n THR 88 Ca 0.09 -0.65 -0.42 0.00 -2.27 0.00 0.00 64.05 60.80 1mrl n THR 88 Cb 0.51 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.42 1mrl n THR 88 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1mrl s TYR 89 N -1.52 3.17 -1.49 4.78 6.14 -1.26 -4.71 117.35 122.46 1mrl s TYR 89 Ca 0.37 1.21 -0.12 0.00 0.64 0.00 0.00 57.07 59.17 1mrl s TYR 89 Cb 0.21 -3.42 -0.04 0.00 0.42 0.00 0.00 41.96 39.13 1mrl s TYR 89 CO 0.29 -1.30 2.58 -2.30 0.64 0.00 0.00 175.55 175.46 1mrl n PRO 90 N 5.36 3.18 -0.26 4.97 -0.02 -1.26 -4.77 135.00 142.20 1mrl n PRO 90 Ca 0.11 -2.32 -0.01 0.00 -2.02 0.00 0.00 63.50 59.27 1mrl n PRO 90 Cb 0.46 -2.99 0.06 0.00 -0.02 0.00 0.00 33.50 31.01 1mrl n PRO 90 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1mrl h PHE 91 N 5.59 -0.65 -1.10 6.00 -1.00 -1.92 -2.06 116.94 121.81 1mrl h PHE 91 Ca 0.71 0.07 0.32 0.00 2.81 0.00 0.00 57.97 61.89 1mrl h PHE 91 Cb 0.44 0.40 -0.12 0.00 3.61 0.00 0.00 35.95 40.28 1mrl h PHE 91 CO 1.69 -0.36 0.69 -2.95 -1.61 0.00 0.00 178.31 175.77 1mrl h ASN 92 N -0.05 0.42 0.92 2.17 -1.07 -1.75 -1.52 115.58 114.70 1mrl h ASN 92 Ca 0.33 0.13 0.00 0.00 0.07 0.00 0.00 56.30 56.82 1mrl h ASN 92 Cb 0.57 0.07 0.00 0.00 -2.07 0.00 0.00 38.32 36.89 1mrl h ASN 92 CO -0.79 -0.03 0.00 -0.07 0.07 0.00 0.00 177.43 176.61 1mrl h LEU 93 N 0.31 0.00 0.00 6.14 3.38 -1.68 -3.05 115.31 120.42 1mrl h LEU 93 Ca 0.69 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.66 1mrl h LEU 93 Cb 1.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.56 1mrl h LEU 93 CO -0.41 0.00 -0.37 0.49 0.09 0.00 0.00 178.44 178.24 1mrl n PHE 94 N -2.80 0.61 -4.63 1.13 3.01 -0.57 -5.03 117.46 109.18 1mrl n PHE 94 Ca 0.01 0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.65 1mrl n PHE 94 Cb 0.28 -0.72 0.00 0.00 -0.01 0.00 0.00 39.48 39.03 1mrl n PHE 94 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mrl n GLY 95 N 1.35 0.42 2.42 1.37 0.00 -1.15 -4.93 105.19 104.67 1mrl n GLY 95 Ca 0.04 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 1mrl n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1mrl n ASN 96 N -1.57 -5.80 0.00 1.61 4.13 -1.26 -1.79 115.26 110.58 1mrl n ASN 96 Ca 0.00 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.32 1mrl n ASN 96 Cb 0.00 -4.87 0.00 0.00 -1.54 0.00 0.00 39.78 33.37 1mrl n ASN 96 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1mrl n GLY 97 N -0.93 2.55 0.02 7.41 0.00 -1.26 -4.93 105.19 108.06 1mrl n GLY 97 Ca -0.24 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.89 1mrl n GLY 97 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1mrl n TRP 98 N -0.61 0.17 0.38 1.61 7.02 -0.74 -3.13 117.44 122.14 1mrl n TRP 98 Ca 0.00 0.06 0.04 0.00 -1.02 0.00 0.00 57.50 56.58 1mrl n TRP 98 Cb 0.00 -0.59 0.21 0.00 -2.42 0.00 0.00 31.31 28.51 1mrl n TRP 98 CO 0.00 0.00 0.00 -0.85 -2.02 0.00 0.00 177.69 174.82 1mrl n GLU 99 N -1.65 0.06 0.19 -0.99 0.00 -1.26 -1.09 120.64 115.90 1mrl n GLU 99 Ca 0.05 0.27 0.03 0.00 0.00 0.00 0.00 57.16 57.51 1mrl n GLU 99 Cb 0.28 -1.50 0.37 0.00 0.00 0.00 0.00 31.44 30.59 1mrl n GLU 99 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1mrl h LYS 100 N 0.00 0.00 -1.66 3.44 1.57 -1.90 -3.26 116.57 114.76 1mrl h LYS 100 Ca 0.00 -0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1mrl h LYS 100 Cb 0.12 -0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.29 1mrl h LYS 100 CO 0.00 0.36 0.37 0.72 -0.57 0.00 0.00 179.45 180.32 1mrl n HIS 101 N -4.12 1.44 -2.94 -1.35 8.25 -0.25 -4.93 115.22 111.31 1mrl n HIS 101 Ca -0.02 -1.91 -0.40 0.00 -0.26 0.00 0.00 57.72 55.13 1mrl n HIS 101 Cb 0.39 -1.06 -0.05 0.00 1.12 0.00 0.00 29.99 30.39 1mrl n HIS 101 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1mrl s MET 102 N -1.62 4.55 0.35 -0.41 0.00 -1.23 -4.31 119.30 116.63 1mrl s MET 102 Ca 0.37 1.15 -0.29 0.00 0.00 0.00 0.00 55.69 56.93 1mrl s MET 102 Cb 0.27 -3.33 -0.11 0.00 0.00 0.00 0.00 34.83 31.65 1mrl s MET 102 CO -0.05 0.37 1.48 -2.30 0.00 0.00 0.00 175.02 174.52 1mrl n PRO 103 N 2.39 2.58 -1.89 4.11 -0.02 -1.26 -5.01 135.00 135.90 1mrl n PRO 103 Ca -0.03 0.91 -0.30 0.00 -2.02 0.00 0.00 63.50 62.05 1mrl n PRO 103 Cb 0.49 -2.63 0.03 0.00 -0.02 0.00 0.00 33.50 31.38 1mrl n PRO 103 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1mrl s LYS 104 N -1.60 3.13 0.36 -0.52 -0.14 -1.26 -4.92 119.74 114.79 1mrl s LYS 104 Ca 0.57 0.56 0.19 0.00 -1.36 0.00 0.00 55.97 55.92 1mrl s LYS 104 Cb -0.50 -2.05 1.28 0.00 -1.68 0.00 0.00 37.83 34.88 1mrl s LYS 104 CO 0.59 -0.86 1.58 -0.07 -0.76 0.00 0.00 175.35 175.83 1mrl h LEU 105 N -0.52 0.22 -3.63 3.17 3.38 -2.00 -0.71 115.31 115.22 1mrl h LEU 105 Ca -0.45 0.26 -0.18 0.00 0.09 0.00 0.00 57.88 57.61 1mrl h LEU 105 Cb 1.23 0.30 -0.11 0.00 0.09 0.00 0.00 40.66 42.17 1mrl h LEU 105 CO 0.63 -0.43 0.19 -0.90 0.09 0.00 0.00 178.44 178.02 1mrl n ASP 106 N -5.29 4.47 -0.22 -0.43 5.68 -1.26 -4.31 116.55 115.19 1mrl n ASP 106 Ca 0.36 -3.25 0.10 0.00 -0.50 0.00 0.00 54.79 51.49 1mrl n ASP 106 Cb 1.22 -0.71 0.16 0.00 -1.14 0.00 0.00 41.12 40.66 1mrl n ASP 106 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mrl n GLN 107 N -0.31 1.56 -3.25 0.11 10.64 -0.27 -4.76 117.38 121.10 1mrl n GLN 107 Ca 0.37 -2.65 -0.25 0.00 -1.83 0.00 0.00 57.00 52.65 1mrl n GLN 107 Cb 1.28 -1.56 -0.08 0.00 -0.86 0.00 0.00 30.24 29.02 1mrl n GLN 107 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1mrl n LEU 108 N -1.28 0.43 -4.54 2.61 4.77 -1.26 -4.67 117.00 113.06 1mrl n LEU 108 Ca 0.17 -4.72 -0.45 0.00 -0.03 0.00 0.00 56.01 50.98 1mrl n LEU 108 Cb 0.69 0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 42.25 1mrl n LEU 108 CO 0.03 2.03 0.42 -2.65 -1.33 0.00 0.00 177.39 175.90 1mrl n PRO 109 N 1.57 1.03 -4.52 3.23 -0.02 -1.26 -4.97 135.00 130.06 1mrl n PRO 109 Ca 0.23 0.36 -0.34 0.00 -2.02 0.00 0.00 63.50 61.73 1mrl n PRO 109 Cb 0.51 -1.65 -0.12 0.00 -0.02 0.00 0.00 33.50 32.22 1mrl n PRO 109 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1mrl s ILE 110 N -1.07 3.80 -0.87 4.25 -1.09 -1.26 -5.01 121.20 119.95 1mrl s ILE 110 Ca 0.60 -0.42 0.26 0.00 -2.23 0.00 0.00 60.65 58.86 1mrl s ILE 110 Cb -0.74 -2.61 0.24 0.00 -1.58 0.00 0.00 42.46 37.77 1mrl s ILE 110 CO 0.59 0.55 1.81 2.29 -1.23 0.00 0.00 174.94 178.95 1mrl n LYS 111 N 2.84 0.10 0.00 2.79 2.85 -1.26 -5.03 118.16 120.45 1mrl n LYS 111 Ca -0.18 0.13 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 1mrl n LYS 111 Cb 0.53 -1.63 0.00 0.00 -0.65 0.00 0.00 35.03 33.28 1mrl n LYS 111 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1mrl n GLY 112 N 1.14 -0.77 3.91 2.58 0.00 -1.26 -4.57 105.19 106.21 1mrl n GLY 112 Ca 0.06 -2.22 -0.28 0.00 0.00 0.00 0.00 46.02 43.58 1mrl n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mrl s ASP 113 N -2.90 5.15 -0.25 1.61 1.11 -1.26 -3.72 116.67 116.40 1mrl s ASP 113 Ca 0.00 0.81 -0.02 0.00 0.18 0.00 0.00 52.55 53.51 1mrl s ASP 113 Cb 0.00 -1.56 0.02 0.00 1.07 0.00 0.00 42.92 42.46 1mrl s ASP 113 CO 0.00 -1.45 -0.05 -0.89 1.18 0.00 0.00 175.17 173.97 1mrl s THR 114 N -3.29 3.00 -0.14 -1.27 2.01 -0.89 -3.86 115.64 111.21 1mrl s THR 114 Ca 0.58 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.61 1mrl s THR 114 Cb -0.11 -2.53 0.02 0.00 0.01 0.00 0.00 72.50 69.90 1mrl s THR 114 CO 0.48 0.19 -0.14 0.27 -0.69 0.00 0.00 174.62 174.73 1mrl s ILE 115 N 1.35 1.51 -0.19 1.82 -4.36 -1.03 -0.58 121.20 119.72 1mrl s ILE 115 Ca 0.01 -0.60 -0.07 0.00 -0.26 0.00 0.00 60.65 59.72 1mrl s ILE 115 Cb -0.17 -1.42 -0.04 0.00 1.25 0.00 0.00 42.46 42.09 1mrl s ILE 115 CO -0.04 0.45 0.06 -0.63 0.24 0.00 0.00 174.94 175.02 1mrl s ILE 116 N 1.43 4.71 0.00 8.37 1.01 0.11 -1.13 121.20 135.71 1mrl s ILE 116 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.62 1mrl s ILE 116 Cb -0.13 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.21 1mrl s ILE 116 CO -0.09 0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.90 1mrl n GLY 117 N 3.75 -2.28 3.92 6.18 0.00 0.91 -1.55 105.19 116.12 1mrl n GLY 117 Ca -0.16 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 1mrl n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mrl s ASN 118 N -1.58 6.40 -1.42 1.61 -0.87 -1.26 -2.79 114.94 115.03 1mrl s ASN 118 Ca 0.00 0.36 -0.07 0.00 -1.57 0.00 0.00 52.86 51.58 1mrl s ASN 118 Cb 0.00 -2.00 0.04 0.00 -0.02 0.00 0.00 41.25 39.28 1mrl s ASN 118 CO 0.00 0.09 0.89 -0.67 -2.57 0.00 0.00 177.10 174.84 1mrl n ASP 119 N 0.00 -3.39 -4.80 -1.22 4.64 -0.33 -0.80 116.55 110.66 1mrl n ASP 119 Ca -0.04 -0.77 -0.36 0.00 -1.38 0.00 0.00 54.79 52.24 1mrl n ASP 119 Cb 0.52 -4.10 -0.07 0.00 -1.04 0.00 0.00 41.12 36.42 1mrl n ASP 119 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 1mrl s VAL 120 N -3.45 5.20 -0.31 5.18 1.01 -1.25 -3.21 120.40 123.56 1mrl s VAL 120 Ca 0.37 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.39 1mrl s VAL 120 Cb -0.18 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 32.95 1mrl s VAL 120 CO 0.81 0.58 0.07 0.86 0.00 0.00 0.00 175.10 177.42 1mrl s TRP 121 N -0.69 3.19 -0.23 5.22 -0.00 -0.57 -0.82 118.94 125.05 1mrl s TRP 121 Ca 0.13 -1.25 -0.06 0.00 -0.00 0.00 0.00 56.10 54.92 1mrl s TRP 121 Cb -0.12 -2.24 -0.02 0.00 -0.00 0.00 0.00 33.47 31.09 1mrl s TRP 121 CO 0.03 -0.66 0.03 0.42 -0.00 0.00 0.00 176.95 176.76 1mrl s ILE 122 N 1.43 4.06 1.20 5.86 -1.09 0.21 -1.05 121.20 131.82 1mrl s ILE 122 Ca 0.00 -0.27 -0.19 0.00 -2.23 0.00 0.00 60.65 57.97 1mrl s ILE 122 Cb -0.18 -2.87 0.28 0.00 -1.58 0.00 0.00 42.46 38.12 1mrl s ILE 122 CO 0.02 0.39 1.10 -0.83 -1.23 0.00 0.00 174.94 174.38 1mrl s GLY 123 N 1.34 1.57 0.35 6.18 0.00 -0.61 -1.21 107.32 114.94 1mrl s GLY 123 Ca 0.05 -0.89 -0.28 0.00 0.00 0.00 0.00 44.72 43.60 1mrl s GLY 123 CO 0.02 -0.02 1.32 1.25 0.00 0.00 0.00 173.10 175.67 1mrl s LYS 124 N -5.34 4.23 -1.46 2.90 2.20 -1.26 -3.60 119.74 117.40 1mrl s LYS 124 Ca 0.70 2.24 -0.02 0.00 -0.36 0.00 0.00 55.97 58.53 1mrl s LYS 124 Cb -0.11 -2.98 0.01 0.00 -1.51 0.00 0.00 37.83 33.24 1mrl s LYS 124 CO 0.56 -0.30 0.20 -0.25 -0.36 0.00 0.00 175.35 175.21 1mrl n ASP 125 N 0.59 -5.13 -4.78 1.43 10.43 -0.25 -0.61 116.55 118.22 1mrl n ASP 125 Ca 0.01 -0.06 -0.38 0.00 2.57 0.00 0.00 54.79 56.93 1mrl n ASP 125 Cb 0.42 -4.25 -0.06 0.00 1.84 0.00 0.00 41.12 39.06 1mrl n ASP 125 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1mrl s VAL 126 N -2.94 4.29 -0.18 2.53 1.01 -1.24 -4.01 120.40 119.86 1mrl s VAL 126 Ca 0.12 1.73 -0.02 0.00 0.00 0.00 0.00 61.98 63.81 1mrl s VAL 126 Cb -0.06 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 1mrl s VAL 126 CO 0.15 0.26 -0.09 -0.69 0.00 0.00 0.00 175.10 174.72 1mrl s VAL 127 N -1.47 3.12 -0.33 2.92 1.01 -0.02 -1.00 120.40 124.62 1mrl s VAL 127 Ca 0.45 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 1mrl s VAL 127 Cb -0.20 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1mrl s VAL 127 CO 0.25 0.48 0.19 -0.63 0.00 0.00 0.00 175.10 175.38 1mrl s ILE 128 N 0.98 4.85 0.66 2.22 -1.09 0.30 -1.37 121.20 127.75 1mrl s ILE 128 Ca -0.01 -0.38 -0.11 0.00 -2.23 0.00 0.00 60.65 57.92 1mrl s ILE 128 Cb -0.15 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 37.22 1mrl s ILE 128 CO -0.01 0.01 1.04 -0.04 -1.23 0.00 0.00 174.94 174.72 1mrl s MET 129 N 1.65 3.16 0.47 2.79 -1.94 -0.76 -0.04 119.30 124.63 1mrl s MET 129 Ca 0.05 0.52 -0.24 0.00 -1.71 0.00 0.00 55.69 54.30 1mrl s MET 129 Cb -0.17 -2.08 -0.08 0.00 2.01 0.00 0.00 34.83 34.51 1mrl s MET 129 CO 0.08 -0.80 1.36 -2.30 -0.01 0.00 0.00 175.02 173.35 1mrl n PRO 130 N -2.85 2.01 -0.92 2.03 -0.02 -1.05 -3.53 135.00 130.67 1mrl n PRO 130 Ca 0.06 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1mrl n PRO 130 Cb 0.56 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1mrl n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mrl n GLY 131 N 0.70 0.70 3.84 -1.23 0.00 -1.24 -4.88 105.19 103.07 1mrl n GLY 131 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1mrl n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1mrl s VAL 132 N -2.99 4.54 -0.01 1.61 -7.23 -1.23 -4.63 120.40 110.45 1mrl s VAL 132 Ca 0.00 1.20 0.06 0.00 -1.81 0.00 0.00 61.98 61.43 1mrl s VAL 132 Cb 0.00 -3.70 -0.02 0.00 0.56 0.00 0.00 36.38 33.22 1mrl s VAL 132 CO 0.00 -0.62 -0.19 -1.59 -0.31 0.00 0.00 175.10 172.39 1mrl s LYS 133 N -3.92 1.55 -0.13 4.82 0.00 -1.26 -2.45 119.74 118.34 1mrl s LYS 133 Ca 0.59 -0.70 -0.00 0.00 0.00 0.00 0.00 55.97 55.85 1mrl s LYS 133 Cb -0.10 -1.50 0.03 0.00 0.00 0.00 0.00 37.83 36.25 1mrl s LYS 133 CO 0.29 0.41 -0.09 0.42 0.00 0.00 0.00 175.35 176.37 1mrl s ILE 134 N -0.47 1.21 0.80 3.79 1.01 -0.28 -1.20 121.20 126.06 1mrl s ILE 134 Ca 0.07 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.18 1mrl s ILE 134 Cb -0.07 -1.21 0.07 0.00 0.01 0.00 0.00 42.46 41.26 1mrl s ILE 134 CO -0.01 0.37 1.10 -0.83 0.00 0.00 0.00 174.94 175.57 1mrl s GLY 135 N 1.63 1.68 0.53 6.18 0.00 -0.29 -0.06 107.32 116.99 1mrl s GLY 135 Ca 0.04 0.32 -0.21 0.00 0.00 0.00 0.00 44.72 44.88 1mrl s GLY 135 CO -0.09 0.68 1.02 1.22 0.00 0.00 0.00 173.10 175.93 1mrl n ASP 136 N -3.66 1.14 -1.31 1.64 8.00 -1.26 -2.88 116.55 118.22 1mrl n ASP 136 Ca 0.10 0.91 -0.17 0.00 0.71 0.00 0.00 54.79 56.33 1mrl n ASP 136 Cb 0.53 -1.40 -0.07 0.00 -0.02 0.00 0.00 41.12 40.16 1mrl n ASP 136 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mrl n GLY 137 N 1.19 1.66 3.87 0.44 0.00 0.02 -0.69 105.19 111.68 1mrl n GLY 137 Ca 0.11 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1mrl n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mrl s ALA 138 N -2.63 3.26 -0.12 4.61 0.00 -1.14 -3.65 121.76 122.10 1mrl s ALA 138 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1mrl s ALA 138 Cb 0.00 -2.83 0.02 0.00 0.00 0.00 0.00 23.12 20.32 1mrl s ALA 138 CO 0.00 -0.14 -0.10 0.42 0.00 0.00 0.00 175.76 175.94 1mrl s ILE 139 N -2.52 1.16 -0.24 0.00 1.01 -0.45 -1.51 121.20 118.65 1mrl s ILE 139 Ca 0.53 -0.38 -0.07 0.00 0.00 0.00 0.00 60.65 60.72 1mrl s ILE 139 Cb -0.10 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.20 1mrl s ILE 139 CO 0.34 0.39 0.07 -0.69 0.00 0.00 0.00 174.94 175.05 1mrl s VAL 140 N 1.54 4.40 0.61 2.92 1.01 -0.21 -1.89 120.40 128.78 1mrl s VAL 140 Ca 0.03 -0.14 -0.19 0.00 0.00 0.00 0.00 61.98 61.67 1mrl s VAL 140 Cb -0.13 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1mrl s VAL 140 CO -0.07 0.35 1.31 0.00 0.00 0.00 0.00 175.10 176.69 1mrl s ALA 141 N 1.50 2.54 0.59 5.51 0.00 0.49 -1.58 121.76 130.81 1mrl s ALA 141 Ca 0.06 1.25 -0.19 0.00 0.00 0.00 0.00 51.96 53.08 1mrl s ALA 141 Cb -0.15 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 1mrl s ALA 141 CO 0.04 -1.50 1.15 0.00 0.00 0.00 0.00 175.76 175.45 1mrl n ALA 142 N -1.58 0.78 -1.65 0.00 0.00 -1.26 -3.06 120.51 113.74 1mrl n ALA 142 Ca 0.14 0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.47 1mrl n ALA 142 Cb 0.47 -2.23 -0.05 0.00 0.00 0.00 0.00 19.45 17.64 1mrl n ALA 142 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1mrl n ASN 143 N -1.07 -4.79 -4.90 0.00 3.02 0.22 -4.80 115.26 102.94 1mrl n ASN 143 Ca 0.13 0.29 -0.28 0.00 -0.03 0.00 0.00 54.58 54.68 1mrl n ASN 143 Cb 0.46 -3.71 0.00 0.00 -0.61 0.00 0.00 39.78 35.93 1mrl n ASN 143 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1mrl s SER 144 N -2.71 6.20 -0.33 6.41 0.01 -1.17 -4.76 113.70 117.35 1mrl s SER 144 Ca 0.00 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.32 1mrl s SER 144 Cb 0.00 -2.28 0.10 0.00 0.21 0.00 0.00 66.02 64.06 1mrl s SER 144 CO 0.00 -0.70 0.10 -0.69 0.41 0.00 0.00 173.24 172.37 1mrl s VAL 145 N -2.89 1.15 -0.31 3.43 1.01 -0.68 -0.84 120.40 121.26 1mrl s VAL 145 Ca 0.50 -1.67 -0.23 0.00 0.00 0.00 0.00 61.98 60.59 1mrl s VAL 145 Cb -0.11 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 1mrl s VAL 145 CO 0.48 -0.69 0.75 -0.69 0.00 0.00 0.00 175.10 174.94 1mrl s VAL 146 N 1.38 4.82 -0.05 2.92 1.01 -0.47 -1.56 120.40 128.45 1mrl s VAL 146 Ca 0.11 1.05 0.10 0.00 0.00 0.00 0.00 61.98 63.25 1mrl s VAL 146 Cb -0.18 -4.12 -0.15 0.00 0.00 0.00 0.00 36.38 31.93 1mrl s VAL 146 CO -0.20 -0.25 0.15 1.33 0.00 0.00 0.00 175.10 176.14 1mrl n VAL 147 N 5.53 0.31 -4.15 2.92 0.24 -1.26 -1.83 118.33 120.10 1mrl n VAL 147 Ca 0.02 -0.34 -0.25 0.00 -2.04 0.00 0.00 64.34 61.74 1mrl n VAL 147 Cb 0.48 -0.18 -0.07 0.00 -1.47 0.00 0.00 33.84 32.60 1mrl n VAL 147 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1mrl s LYS 148 N -2.55 2.22 0.76 7.34 1.02 -1.26 -4.80 119.74 122.46 1mrl s LYS 148 Ca -0.05 -1.87 -0.11 0.00 0.02 0.00 0.00 55.97 53.96 1mrl s LYS 148 Cb 0.05 -1.97 0.05 0.00 -0.52 0.00 0.00 37.83 35.44 1mrl s LYS 148 CO 0.45 -0.14 1.09 -0.51 -0.92 0.00 0.00 175.35 175.32 1mrl s ASP 149 N -3.91 4.64 -0.10 2.83 1.01 -1.26 -4.68 116.67 115.21 1mrl s ASP 149 Ca 0.40 1.82 0.01 0.00 0.71 0.00 0.00 52.55 55.48 1mrl s ASP 149 Cb 0.04 -2.52 0.02 0.00 1.01 0.00 0.00 42.92 41.47 1mrl s ASP 149 CO 0.22 -1.94 -0.10 -0.63 0.21 0.00 0.00 175.17 172.93 1mrl s ILE 150 N -2.87 1.10 0.82 0.77 1.01 -0.34 -4.97 121.20 116.71 1mrl s ILE 150 Ca 0.61 -0.38 -0.12 0.00 0.00 0.00 0.00 60.65 60.76 1mrl s ILE 150 Cb -0.17 -1.06 0.09 0.00 0.01 0.00 0.00 42.46 41.32 1mrl s ILE 150 CO 0.55 0.37 1.15 0.00 0.00 0.00 0.00 174.94 177.01 1mrl s ALA 151 N 1.27 1.88 0.33 9.38 0.00 -1.26 -1.14 121.76 132.22 1mrl s ALA 151 Ca -0.03 0.62 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 1mrl s ALA 151 Cb -0.14 -3.42 -0.11 0.00 0.00 0.00 0.00 23.12 19.46 1mrl s ALA 151 CO -0.04 -2.22 1.51 -2.14 0.00 0.00 0.00 175.76 172.88 1mrl s PRO 152 N -4.44 4.14 -1.31 0.00 0.02 -1.26 -3.25 135.00 128.90 1mrl s PRO 152 Ca 0.68 2.53 -0.06 0.00 0.02 0.00 0.00 61.00 64.17 1mrl s PRO 152 Cb -0.24 -3.01 0.01 0.00 0.02 0.00 0.00 34.50 31.29 1mrl s PRO 152 CO 0.53 -0.54 1.11 0.66 -0.33 0.00 0.00 177.00 178.43 1mrl n TYR 153 N 1.30 -2.62 -4.32 6.54 4.02 0.13 -4.92 117.16 117.29 1mrl n TYR 153 Ca 0.04 0.98 -0.25 0.00 -0.01 0.00 0.00 57.90 58.67 1mrl n TYR 153 Cb 0.39 -5.00 -0.09 0.00 -0.02 0.00 0.00 39.34 34.62 1mrl n TYR 153 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 176.86 174.21 1mrl s MET 154 N -6.01 2.10 -0.35 -0.72 -1.94 -1.20 -2.24 119.30 108.94 1mrl s MET 154 Ca 0.39 -1.41 -0.08 0.00 -1.71 0.00 0.00 55.69 52.87 1mrl s MET 154 Cb -0.17 -2.10 0.03 0.00 2.01 0.00 0.00 34.83 34.60 1mrl s MET 154 CO 0.74 0.39 0.14 -0.51 -0.01 0.00 0.00 175.02 175.77 1mrl s LEU 155 N -3.29 4.44 0.22 -0.03 1.43 -0.20 -1.33 118.68 119.91 1mrl s LEU 155 Ca 0.28 -1.04 0.11 0.00 -1.03 0.00 0.00 54.13 52.45 1mrl s LEU 155 Cb -0.07 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 1mrl s LEU 155 CO 0.17 -0.34 -0.21 0.00 0.23 0.00 0.00 176.35 176.20 1mrl s ALA 156 N 1.47 2.48 -0.01 4.21 0.00 -0.79 0.11 121.76 129.23 1mrl s ALA 156 Ca 0.00 -1.69 -0.30 0.00 0.00 0.00 0.00 51.96 49.97 1mrl s ALA 156 Cb -0.19 -0.27 0.11 0.00 0.00 0.00 0.00 23.12 22.77 1mrl s ALA 156 CO 0.04 0.33 1.23 0.20 0.00 0.00 0.00 175.76 177.57 1mrl s GLY 157 N -2.96 -0.38 0.00 0.00 0.00 -0.91 -0.38 107.32 102.69 1mrl s GLY 157 Ca 0.23 0.71 0.00 0.00 0.00 0.00 0.00 44.72 45.66 1mrl s GLY 157 CO 0.11 0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.96 1mrl n GLY 158 N -0.45 0.56 2.61 0.20 0.00 -1.26 -1.21 105.19 105.64 1mrl n GLY 158 Ca -0.07 -2.14 -0.25 0.00 0.00 0.00 0.00 46.02 43.56 1mrl n GLY 158 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mrl s ASN 159 N 0.00 2.93 0.57 1.61 2.47 -1.26 -1.69 114.94 119.56 1mrl s ASN 159 Ca 0.00 -1.10 -0.17 0.00 0.42 0.00 0.00 52.86 52.00 1mrl s ASN 159 Cb 0.00 -0.08 -0.05 0.00 -1.45 0.00 0.00 41.25 39.67 1mrl s ASN 159 CO 0.00 -0.42 1.08 -2.84 -3.72 0.00 0.00 177.10 171.19 1mrl s PRO 160 N 2.18 3.36 0.34 0.43 0.02 -1.26 -5.01 135.00 135.06 1mrl s PRO 160 Ca 0.09 1.36 -0.29 0.00 0.02 0.00 0.00 61.00 62.18 1mrl s PRO 160 Cb -0.15 -2.03 -0.11 0.00 0.02 0.00 0.00 34.50 32.23 1mrl s PRO 160 CO -0.35 -0.80 1.38 0.00 -0.33 0.00 0.00 177.00 176.91 1mrl s ALA 161 N -2.17 3.54 0.05 -1.55 0.00 -0.60 -4.93 121.76 116.10 1mrl s ALA 161 Ca 0.67 1.38 0.01 0.00 0.00 0.00 0.00 51.96 54.02 1mrl s ALA 161 Cb -0.18 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.37 1mrl s ALA 161 CO 0.31 -0.79 -0.06 -0.80 0.00 0.00 0.00 175.76 174.42 1mrl s ASN 162 N -0.26 0.77 0.04 0.00 0.02 -0.35 -4.80 114.94 110.36 1mrl s ASN 162 Ca 0.52 -0.67 -0.31 0.00 -1.02 0.00 0.00 52.86 51.38 1mrl s ASN 162 Cb -0.42 0.07 -0.06 0.00 0.02 0.00 0.00 41.25 40.86 1mrl s ASN 162 CO 0.55 -0.31 1.34 -1.61 0.02 0.00 0.00 177.10 177.09 1mrl s GLU 163 N -2.21 4.33 -0.24 -0.60 2.02 -1.26 -2.14 118.70 118.60 1mrl s GLU 163 Ca -0.05 1.93 0.00 0.00 0.02 0.00 0.00 54.97 56.87 1mrl s GLU 163 Cb -0.05 -3.43 -0.18 0.00 0.10 0.00 0.00 34.13 30.57 1mrl s GLU 163 CO -0.02 -0.46 -0.16 -0.89 0.02 0.00 0.00 175.26 173.75 1mrl n ILE 164 N 4.30 1.53 -3.54 -1.63 5.41 0.30 -4.97 119.36 120.75 1mrl n ILE 164 Ca 0.12 -0.57 -0.09 0.00 1.00 0.00 0.00 62.75 63.20 1mrl n ILE 164 Cb 0.44 -1.47 -0.03 0.00 -0.71 0.00 0.00 39.64 37.86 1mrl n ILE 164 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1mrl s LYS 165 N -2.52 0.69 -0.14 0.38 2.20 -1.15 -5.00 119.74 114.19 1mrl s LYS 165 Ca -0.34 -0.08 -0.21 0.00 -0.36 0.00 0.00 55.97 54.99 1mrl s LYS 165 Cb 0.09 0.32 -0.03 0.00 -1.51 0.00 0.00 37.83 36.70 1mrl s LYS 165 CO 0.62 -0.27 0.60 -0.65 -0.36 0.00 0.00 175.35 175.29 1mrl s GLN 166 N -2.15 4.31 0.17 4.03 -0.21 -1.26 -1.03 119.66 123.52 1mrl s GLN 166 Ca 0.02 0.63 -0.14 0.00 0.02 0.00 0.00 55.36 55.88 1mrl s GLN 166 Cb -0.01 -3.50 0.07 0.00 1.00 0.00 0.00 33.01 30.57 1mrl s GLN 166 CO -0.04 -0.04 1.83 0.00 -2.12 0.00 0.00 175.29 174.92 1mrl h ARG 167 N 7.07 0.63 0.00 2.91 3.08 -1.80 -3.46 114.38 122.81 1mrl h ARG 167 Ca -0.37 -0.04 -0.31 0.00 0.07 0.00 0.00 59.98 59.33 1mrl h ARG 167 Cb 1.17 -0.14 -0.08 0.00 0.08 0.00 0.00 29.97 31.00 1mrl h ARG 167 CO 0.76 0.42 -0.29 1.19 -1.07 0.00 0.00 179.97 180.98 1mrl n PHE 168 N -4.76 -0.29 -1.68 3.04 3.72 -1.26 -5.14 117.46 111.08 1mrl n PHE 168 Ca 0.03 -1.71 -0.30 0.00 -0.05 0.00 0.00 57.45 55.42 1mrl n PHE 168 Cb 0.04 0.12 0.06 0.00 -0.94 0.00 0.00 39.48 38.76 1mrl n PHE 168 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1mrl s ASP 169 N -2.49 5.12 0.10 4.37 1.47 -1.26 -4.88 116.67 119.10 1mrl s ASP 169 Ca 0.21 1.33 -0.31 0.00 1.18 0.00 0.00 52.55 54.96 1mrl s ASP 169 Cb 0.01 -2.15 -0.12 0.00 -0.34 0.00 0.00 42.92 40.32 1mrl s ASP 169 CO 0.15 -1.57 1.61 1.56 0.68 0.00 0.00 175.17 177.59 1mrl h GLN 170 N -0.81 -0.67 -0.96 2.11 1.08 -2.01 -2.01 115.11 111.83 1mrl h GLN 170 Ca -0.45 0.05 0.21 0.00 -1.45 0.00 0.00 58.65 57.00 1mrl h GLN 170 Cb 1.24 0.15 -0.11 0.00 -0.05 0.00 0.00 27.48 28.71 1mrl h GLN 170 CO 0.60 -0.45 0.54 -0.44 -0.95 0.00 0.00 178.83 178.13 1mrl h ASP 171 N -0.70 0.62 -0.40 1.46 3.32 -1.98 0.36 116.42 119.10 1mrl h ASP 171 Ca -0.01 0.12 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1mrl h ASP 171 Cb 0.65 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1mrl h ASP 171 CO -0.10 0.16 -0.05 0.74 -1.72 0.00 0.00 179.24 178.28 1mrl h THR 172 N 0.62 1.27 -0.45 0.35 2.02 -1.87 -1.61 112.91 113.22 1mrl h THR 172 Ca 0.58 -1.10 -0.05 0.00 0.77 0.00 0.00 66.41 66.61 1mrl h THR 172 Cb 0.99 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 1mrl h THR 172 CO -0.44 0.37 0.10 0.40 0.37 0.00 0.00 175.52 176.32 1mrl h ILE 173 N 0.56 1.24 -0.63 3.11 2.04 -0.35 -0.96 117.51 122.51 1mrl h ILE 173 Ca 0.11 -0.85 0.07 0.00 1.00 0.00 0.00 64.86 65.19 1mrl h ILE 173 Cb 0.55 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 1mrl h ILE 173 CO 0.03 0.30 0.32 0.78 0.00 0.00 0.00 178.15 179.58 1mrl h ASN 174 N 0.61 0.45 -0.09 1.72 2.35 -0.23 -0.69 115.58 119.69 1mrl h ASN 174 Ca 0.14 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1mrl h ASN 174 Cb 0.35 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 1mrl h ASN 174 CO 0.00 0.28 -0.07 1.56 -1.65 0.00 0.00 177.43 177.56 1mrl h GLN 175 N 0.59 0.20 -0.66 0.81 4.20 -1.13 -2.87 115.11 116.25 1mrl h GLN 175 Ca 0.30 -0.10 0.10 0.00 0.06 0.00 0.00 58.65 59.00 1mrl h GLN 175 Cb 0.24 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.95 1mrl h GLN 175 CO -0.21 0.60 0.28 -0.07 -0.67 0.00 0.00 178.83 178.76 1mrl h LEU 176 N -0.19 0.32 -1.75 1.46 3.38 -0.89 0.23 115.31 117.87 1mrl h LEU 176 Ca 0.02 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1mrl h LEU 176 Cb 0.55 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1mrl h LEU 176 CO 0.02 0.18 -0.05 -0.07 0.09 0.00 0.00 178.44 178.61 1mrl h LEU 177 N 0.48 0.00 0.04 1.67 3.38 -1.14 -2.64 115.31 117.10 1mrl h LEU 177 Ca 0.33 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 58.01 1mrl h LEU 177 Cb 0.40 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1mrl h LEU 177 CO -0.30 0.05 -1.67 -0.78 0.09 0.00 0.00 178.44 175.82 1mrl h ASP 178 N 0.00 0.12 0.78 -0.43 3.58 -0.76 -3.37 116.42 116.34 1mrl h ASP 178 Ca -0.00 -0.24 -0.25 0.00 0.42 0.00 0.00 57.03 56.97 1mrl h ASP 178 Cb 0.43 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.40 1mrl h ASP 178 CO 0.01 1.21 -1.31 0.16 -2.88 0.00 0.00 179.24 176.42 1mrl h ILE 179 N 0.02 1.33 -6.68 2.25 3.07 -1.19 -3.49 117.51 112.82 1mrl h ILE 179 Ca -0.28 -3.10 -0.47 0.00 1.55 0.00 0.00 64.86 62.56 1mrl h ILE 179 Cb 2.00 2.65 -0.00 0.00 -0.27 0.00 0.00 36.82 41.20 1mrl h ILE 179 CO 0.10 0.76 -1.04 0.29 -1.05 0.00 0.00 178.15 177.20 1mrl n LYS 180 N -3.21 -1.50 0.30 0.16 5.02 -1.00 -4.79 118.16 113.13 1mrl n LYS 180 Ca -0.07 0.78 0.19 0.00 -2.02 0.00 0.00 58.31 57.18 1mrl n LYS 180 Cb 0.99 -2.47 1.02 0.00 -0.02 0.00 0.00 35.03 34.54 1mrl n LYS 180 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 1mrl h TRP 181 N -0.30 0.00 0.00 2.13 5.08 -1.95 -2.18 115.95 118.73 1mrl h TRP 181 Ca -0.61 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.36 1mrl h TRP 181 Cb 1.38 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.54 1mrl h TRP 181 CO 0.23 0.00 0.00 -2.67 -1.28 0.00 0.00 178.44 174.72 1mrl n TRP 182 N -3.45 0.68 0.65 0.12 2.14 -1.26 -2.38 117.44 113.94 1mrl n TRP 182 Ca -0.02 0.28 0.12 0.00 2.07 0.00 0.00 57.50 59.94 1mrl n TRP 182 Cb 0.15 -0.95 0.16 0.00 -0.81 0.00 0.00 31.31 29.86 1mrl n TRP 182 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1mrl n ASN 183 N -2.13 3.22 -4.79 -0.67 3.02 -0.82 -4.97 115.26 108.13 1mrl n ASN 183 Ca 0.02 -1.99 -0.31 0.00 -0.03 0.00 0.00 54.58 52.26 1mrl n ASN 183 Cb 0.20 -0.12 0.06 0.00 -0.61 0.00 0.00 39.78 39.31 1mrl n ASN 183 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1mrl s TRP 184 N -1.73 2.83 0.41 3.10 0.51 -1.00 -4.99 118.94 118.06 1mrl s TRP 184 Ca 0.33 1.50 -0.26 0.00 -2.12 0.00 0.00 56.10 55.55 1mrl s TRP 184 Cb 0.21 -3.00 -0.09 0.00 -0.81 0.00 0.00 33.47 29.78 1mrl s TRP 184 CO 0.31 -1.49 1.38 -2.14 -0.51 0.00 0.00 176.95 174.50 1mrl s PRO 185 N -4.73 3.95 0.36 4.98 0.02 -1.26 -4.82 135.00 133.50 1mrl s PRO 185 Ca 0.61 2.33 0.14 0.00 0.02 0.00 0.00 61.00 64.10 1mrl s PRO 185 Cb -0.16 -2.80 0.98 0.00 0.02 0.00 0.00 34.50 32.53 1mrl s PRO 185 CO 0.51 -0.57 1.76 0.97 -0.33 0.00 0.00 177.00 179.34 1mrl h ILE 186 N 2.58 0.56 -0.33 2.83 6.09 -1.98 -0.09 117.51 127.17 1mrl h ILE 186 Ca -0.50 -0.18 -0.09 0.00 -1.37 0.00 0.00 64.86 62.72 1mrl h ILE 186 Cb 1.25 0.00 -0.02 0.00 0.47 0.00 0.00 36.82 38.53 1mrl h ILE 186 CO 0.63 0.09 -0.17 0.44 -3.07 0.00 0.00 178.15 176.07 1mrl h ASP 187 N 0.51 0.58 -0.18 2.19 3.32 -1.96 -2.01 116.42 118.87 1mrl h ASP 187 Ca 0.61 -0.18 -0.19 0.00 0.02 0.00 0.00 57.03 57.29 1mrl h ASP 187 Cb 1.31 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1mrl h ASP 187 CO -0.37 0.77 -0.58 0.40 -1.72 0.00 0.00 179.24 177.74 1mrl h ILE 188 N 0.53 1.29 -0.38 0.35 1.08 -1.40 -3.16 117.51 115.82 1mrl h ILE 188 Ca 0.09 -1.79 0.01 0.00 -0.39 0.00 0.00 64.86 62.78 1mrl h ILE 188 Cb 0.60 1.72 -0.02 0.00 -3.07 0.00 0.00 36.82 36.04 1mrl h ILE 188 CO 0.04 0.57 0.24 0.40 -0.69 0.00 0.00 178.15 178.71 1mrl h ILE 189 N 0.59 1.07 -0.72 -0.67 2.04 -1.12 -2.53 117.51 116.17 1mrl h ILE 189 Ca 0.00 -0.17 0.12 0.00 1.00 0.00 0.00 64.86 65.82 1mrl h ILE 189 Cb 1.18 0.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 1mrl h ILE 189 CO 0.12 0.09 0.48 0.78 0.00 0.00 0.00 178.15 179.62 1mrl h ASN 190 N 0.49 0.46 -0.10 1.72 2.35 -1.36 0.94 115.58 120.07 1mrl h ASN 190 Ca 0.15 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1mrl h ASN 190 Cb -0.03 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.27 1mrl h ASN 190 CO -0.05 0.26 0.00 -0.62 -1.65 0.00 0.00 177.43 175.37 1mrl n GLU 191 N -4.49 1.32 0.00 0.81 1.02 -0.96 -3.83 120.64 114.51 1mrl n GLU 191 Ca 0.13 -0.49 0.00 0.00 -0.02 0.00 0.00 57.16 56.78 1mrl n GLU 191 Cb 0.43 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 1mrl n GLU 191 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1mrl n ASN 192 N -0.22 0.07 -0.33 1.62 3.02 0.10 -4.88 115.26 114.65 1mrl n ASN 192 Ca 0.11 -0.67 0.27 0.00 -0.03 0.00 0.00 54.58 54.26 1mrl n ASN 192 Cb 0.15 0.04 0.51 0.00 -0.61 0.00 0.00 39.78 39.87 1mrl n ASN 192 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1mrl h ILE 193 N 0.58 0.05 -0.07 2.41 2.04 -1.05 0.39 117.51 121.86 1mrl h ILE 193 Ca 0.00 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1mrl h ILE 193 Cb 0.29 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1mrl h ILE 193 CO 0.00 0.01 0.02 0.44 0.00 0.00 0.00 178.15 178.62 1mrl h ASP 194 N 0.05 0.11 0.15 1.72 3.32 -1.88 -1.54 116.42 118.34 1mrl h ASP 194 Ca 0.78 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.61 1mrl h ASP 194 Cb 1.95 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 41.47 1mrl h ASP 194 CO -0.78 0.29 -0.05 0.11 -1.72 0.00 0.00 179.24 177.09 1mrl h LYS 195 N -0.08 0.00 0.03 3.56 6.56 -0.66 -0.82 116.57 125.16 1mrl h LYS 195 Ca 0.02 0.00 -0.22 0.00 -1.06 0.00 0.00 60.65 59.40 1mrl h LYS 195 Cb 0.22 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.87 1mrl h LYS 195 CO -0.00 0.05 -0.99 0.82 -2.06 0.00 0.00 179.45 177.27 1mrl h ILE 196 N 0.00 1.59 0.00 1.86 2.04 -0.77 -1.60 117.51 120.64 1mrl h ILE 196 Ca -0.00 -3.04 -0.18 0.00 1.00 0.00 0.00 64.86 62.64 1mrl h ILE 196 Cb 0.14 2.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.92 1mrl h ILE 196 CO 0.01 0.88 -0.87 -0.07 0.00 0.00 0.00 178.15 178.09 1mrl h LEU 197 N 0.05 0.06 -2.24 1.44 3.38 -0.15 -3.27 115.31 114.57 1mrl h LEU 197 Ca -0.05 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1mrl h LEU 197 Cb 1.69 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.43 1mrl h LEU 197 CO 0.14 0.89 0.00 -0.90 0.09 0.00 0.00 178.44 178.67 1mrl n ASP 198 N -3.55 3.20 -0.19 -0.43 5.68 -0.73 -4.96 116.55 115.58 1mrl n ASP 198 Ca -0.01 -1.94 -0.02 0.00 -0.50 0.00 0.00 54.79 52.32 1mrl n ASP 198 Cb 0.82 -0.19 -0.01 0.00 -1.14 0.00 0.00 41.12 40.60 1mrl n ASP 198 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1mrl n ASN 199 N 1.30 -4.47 -0.17 -1.12 5.15 -0.95 -4.85 115.26 110.15 1mrl n ASN 199 Ca 0.17 0.06 0.14 0.00 -0.60 0.00 0.00 54.58 54.35 1mrl n ASN 199 Cb 0.56 -2.19 0.75 0.00 -0.53 0.00 0.00 39.78 38.37 1mrl n ASN 199 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1mrl n SER 200 N -0.33 0.53 0.29 1.20 3.41 -0.66 -3.63 113.62 114.43 1mrl n SER 200 Ca -0.02 -1.23 0.19 0.00 -0.26 0.00 0.00 58.87 57.54 1mrl n SER 200 Cb 0.28 -0.01 0.87 0.00 -0.26 0.00 0.00 64.21 65.09 1mrl n SER 200 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1mrl h ILE 201 N 0.80 0.00 0.00 -1.33 6.09 -1.73 -1.76 117.51 119.59 1mrl h ILE 201 Ca 0.00 -0.28 0.00 0.00 -1.37 0.00 0.00 64.86 63.21 1mrl h ILE 201 Cb 0.17 1.24 0.00 0.00 0.47 0.00 0.00 36.82 38.70 1mrl h ILE 201 CO 0.00 0.00 0.00 2.30 -3.07 0.00 0.00 178.15 177.38 1mrl n ILE 202 N -2.99 0.66 0.00 2.19 -5.35 -1.24 -4.09 119.36 108.54 1mrl n ILE 202 Ca -0.01 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 1mrl n ILE 202 Cb 0.20 -0.71 0.00 0.00 -1.74 0.00 0.00 39.64 37.39 1mrl n ILE 202 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1mrl n ARG 203 N -2.28 0.00 0.00 6.28 1.74 -0.66 -5.09 116.66 116.64 1mrl n ARG 203 Ca 0.05 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 1mrl n ARG 203 Cb 0.39 -0.86 0.00 0.00 -1.02 0.00 0.00 32.46 30.97 1mrl n ARG 203 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20