#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 2.09 3.72 -5.12 0.00 -1.26 -5.01 105.19 99.61 1mrl n GLY 2 Ca 0.00 -2.12 -0.32 0.00 0.00 0.00 0.00 46.02 43.58 1mrl n GLY 2 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mrl s PRO 3 N -1.92 1.79 -0.36 1.61 0.04 -1.26 -4.95 135.00 129.95 1mrl s PRO 3 Ca 0.00 1.54 -0.29 0.00 0.04 0.00 0.00 61.00 62.29 1mrl s PRO 3 Cb 0.00 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.74 1mrl s PRO 3 CO 0.00 -2.05 1.13 1.21 0.04 0.00 0.00 177.00 177.33 1mrl s ASN 4 N -2.57 6.80 0.16 6.66 3.84 -1.26 -4.90 114.94 123.66 1mrl s ASN 4 Ca 0.68 0.90 0.09 0.00 0.21 0.00 0.00 52.86 54.75 1mrl s ASN 4 Cb -0.24 -2.54 0.50 0.00 -0.55 0.00 0.00 41.25 38.41 1mrl s ASN 4 CO 0.52 -1.03 1.22 -2.65 -2.79 0.00 0.00 177.10 172.37 1mrl n PRO 5 N 7.23 0.06 -0.20 0.43 -0.02 -1.26 -2.08 135.00 139.16 1mrl n PRO 5 Ca 0.12 0.52 0.09 0.00 -2.02 0.00 0.00 63.50 62.21 1mrl n PRO 5 Cb 0.48 -1.79 0.15 0.00 -0.02 0.00 0.00 33.50 32.32 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 -1.80 1.33 -3.63 -0.52 2.81 -1.26 -4.60 117.12 109.46 1mrl n MET 6 Ca -0.01 -2.73 -0.37 0.00 -1.81 0.00 0.00 57.70 52.79 1mrl n MET 6 Cb 0.11 -1.51 -0.07 0.00 -0.71 0.00 0.00 33.22 31.04 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 4.03 0.23 0.03 1.02 -0.88 -4.87 119.74 116.37 1mrl s LYS 7 Ca 0.33 0.05 -0.06 0.00 0.02 0.00 0.00 55.97 56.31 1mrl s LYS 7 Cb 0.30 -3.35 0.33 0.00 -0.52 0.00 0.00 37.83 34.60 1mrl s LYS 7 CO 0.01 0.42 1.82 0.52 -0.92 0.00 0.00 175.35 177.19 1mrl h MET 8 N 6.04 0.76 -2.98 1.68 2.86 -1.90 -3.33 114.93 118.06 1mrl h MET 8 Ca -0.45 -0.05 -0.61 0.00 -2.06 0.00 0.00 59.70 56.53 1mrl h MET 8 Cb 1.18 -0.17 -0.40 0.00 0.06 0.00 0.00 31.60 32.27 1mrl h MET 8 CO 0.70 0.50 -0.72 0.71 1.06 0.00 0.00 176.91 179.16 1mrl s TYR 9 N -6.06 2.31 0.13 -0.22 1.51 -1.26 -2.30 117.35 111.47 1mrl s TYR 9 Ca -0.13 -2.67 0.32 0.00 -1.01 0.00 0.00 57.07 53.58 1mrl s TYR 9 Cb 0.18 -2.04 1.67 0.00 -0.11 0.00 0.00 41.96 41.66 1mrl s TYR 9 CO 0.78 -0.74 1.97 -1.00 -1.11 0.00 0.00 175.55 175.44 1mrl h PRO 10 N 6.32 0.00 -4.72 -1.71 0.13 -1.77 -3.40 132.00 126.85 1mrl h PRO 10 Ca 0.04 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.49 1mrl h PRO 10 Cb 0.89 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.70 1mrl h PRO 10 CO 0.54 0.00 -0.66 0.42 -0.23 0.00 0.00 178.00 178.07 1mrl s ILE 11 N -3.77 3.27 0.04 -3.56 1.01 -1.26 -4.83 121.20 112.10 1mrl s ILE 11 Ca -0.03 -1.33 -0.30 0.00 0.00 0.00 0.00 60.65 58.99 1mrl s ILE 11 Cb 0.09 -2.89 -0.08 0.00 0.01 0.00 0.00 42.46 39.59 1mrl s ILE 11 CO 0.32 -0.16 1.82 -1.61 0.00 0.00 0.00 174.94 175.31 1mrl s GLU 12 N 1.30 4.16 0.00 2.79 2.02 -1.26 -2.02 118.70 125.69 1mrl s GLU 12 Ca -0.03 2.47 0.00 0.00 0.02 0.00 0.00 54.97 57.43 1mrl s GLU 12 Cb -0.20 -3.93 0.00 0.00 0.10 0.00 0.00 34.13 30.10 1mrl s GLU 12 CO 0.00 -0.87 0.00 0.41 0.02 0.00 0.00 175.26 174.82 1mrl n GLY 13 N 4.31 0.97 2.86 -1.39 0.00 -1.26 -5.05 105.19 105.63 1mrl n GLY 13 Ca 0.18 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.21 0.34 -0.04 1.61 3.84 -0.86 -5.00 114.94 112.62 1mrl s ASN 14 Ca 0.00 -1.46 0.01 0.00 0.21 0.00 0.00 52.86 51.62 1mrl s ASN 14 Cb 0.00 0.95 0.07 0.00 -0.55 0.00 0.00 41.25 41.72 1mrl s ASN 14 CO 0.00 -0.22 0.97 2.29 -2.79 0.00 0.00 177.10 177.35 1mrl n LYS 15 N 4.15 1.20 -0.04 0.43 -0.00 -1.26 -3.65 118.16 118.99 1mrl n LYS 15 Ca 0.12 -0.31 -0.07 0.00 -0.00 0.00 0.00 58.31 58.05 1mrl n LYS 15 Cb 0.49 -1.24 -0.04 0.00 -0.00 0.00 0.00 35.03 34.24 1mrl n LYS 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1mrl n SER 16 N 0.26 2.55 -4.68 -5.58 7.64 -1.26 -4.87 113.62 107.68 1mrl n SER 16 Ca 0.05 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.51 1mrl n SER 16 Cb 0.55 -0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.55 1mrl n SER 16 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1mrl s VAL 17 N -2.17 4.59 0.03 0.44 1.01 -1.24 -1.82 120.40 121.24 1mrl s VAL 17 Ca -0.12 1.88 0.05 0.00 0.00 0.00 0.00 61.98 63.79 1mrl s VAL 17 Cb 0.03 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1mrl s VAL 17 CO 0.18 -0.01 -0.14 -1.10 0.00 0.00 0.00 175.10 174.02 1mrl s GLN 18 N 2.21 0.98 -0.24 2.72 -0.21 -0.73 -4.39 119.66 119.99 1mrl s GLN 18 Ca 0.51 -0.72 -0.23 0.00 0.02 0.00 0.00 55.36 54.94 1mrl s GLN 18 Cb -0.20 -0.98 -0.01 0.00 1.00 0.00 0.00 33.01 32.81 1mrl s GLN 18 CO 0.18 0.25 0.76 -0.06 -2.12 0.00 0.00 175.29 174.31 1mrl s PHE 19 N -0.76 3.31 0.19 0.91 2.99 -0.97 -1.09 117.98 122.56 1mrl s PHE 19 Ca 0.02 1.04 -0.10 0.00 0.00 0.00 0.00 56.93 57.90 1mrl s PHE 19 Cb -0.07 -2.98 0.12 0.00 0.00 0.00 0.00 43.02 40.09 1mrl s PHE 19 CO 0.01 -0.36 1.76 0.82 -0.00 0.00 0.00 175.22 177.45 1mrl h ILE 20 N 5.40 1.24 0.02 0.64 2.04 -1.80 -3.20 117.51 121.86 1mrl h ILE 20 Ca -0.25 -0.75 0.03 0.00 1.00 0.00 0.00 64.86 64.89 1mrl h ILE 20 Cb 1.10 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 1mrl h ILE 20 CO 0.84 0.30 -0.41 0.50 0.00 0.00 0.00 178.15 179.39 1mrl h LYS 21 N 1.00 -0.56 -0.86 2.37 3.64 -1.80 0.23 116.57 120.59 1mrl h LYS 21 Ca 0.23 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.72 1mrl h LYS 21 Cb 0.20 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.09 1mrl h LYS 21 CO -0.02 -0.37 0.56 -1.35 -2.27 0.00 0.00 179.45 176.00 1mrl h PRO 22 N -0.58 0.92 -0.23 1.90 0.11 -1.85 -1.08 132.00 131.19 1mrl h PRO 22 Ca 0.04 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.05 1mrl h PRO 22 Cb 0.65 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1mrl h PRO 22 CO -0.29 0.61 -0.04 0.82 -0.21 0.00 0.00 178.00 178.88 1mrl h ILE 23 N 0.95 1.28 -0.61 4.15 1.08 -1.31 -3.31 117.51 119.74 1mrl h ILE 23 Ca 0.37 -1.02 0.00 0.00 -0.39 0.00 0.00 64.86 63.82 1mrl h ILE 23 Cb 0.24 1.49 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 1mrl h ILE 23 CO -0.14 0.32 0.00 0.18 -0.69 0.00 0.00 178.15 177.82 1mrl n LEU 24 N -4.60 5.25 0.00 1.44 4.77 0.73 -4.39 117.00 120.21 1mrl n LEU 24 Ca -0.04 -2.69 0.12 0.00 -0.03 0.00 0.00 56.01 53.37 1mrl n LEU 24 Cb 0.28 -0.63 0.60 0.00 -2.33 0.00 0.00 43.42 41.34 1mrl n LEU 24 CO 0.38 0.73 0.90 -0.62 -1.33 0.00 0.00 177.39 177.46 1mrl n GLU 25 N 0.87 0.28 0.05 3.23 -0.58 -0.44 -2.96 120.64 121.09 1mrl n GLU 25 Ca 0.27 0.06 0.08 0.00 -0.42 0.00 0.00 57.16 57.15 1mrl n GLU 25 Cb 1.05 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 30.35 1mrl n GLU 25 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1mrl n LYS 26 N -1.33 0.63 -2.38 3.49 4.01 -1.26 -4.96 118.16 116.35 1mrl n LYS 26 Ca 0.10 0.05 -0.37 0.00 -0.51 0.00 0.00 58.31 57.59 1mrl n LYS 26 Cb 0.22 -1.73 -0.02 0.00 -0.51 0.00 0.00 35.03 32.98 1mrl n LYS 26 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1mrl s LEU 27 N -5.22 4.07 0.04 -0.35 1.43 -1.16 -5.03 118.68 112.47 1mrl s LEU 27 Ca -0.03 2.19 -0.23 0.00 -1.03 0.00 0.00 54.13 55.03 1mrl s LEU 27 Cb 0.10 -4.21 -0.06 0.00 0.03 0.00 0.00 46.19 42.06 1mrl s LEU 27 CO 0.83 -0.72 0.69 -0.70 0.23 0.00 0.00 176.35 176.67 1mrl s GLU 28 N -2.60 4.42 -1.12 1.70 2.12 -1.26 -4.04 118.70 117.92 1mrl s GLU 28 Ca 0.61 0.93 0.00 0.00 0.36 0.00 0.00 54.97 56.87 1mrl s GLU 28 Cb -0.26 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 30.79 1mrl s GLU 28 CO 0.32 0.36 0.00 0.09 -0.54 0.00 0.00 175.26 175.48 1mrl n ASN 29 N 2.62 -4.05 -3.87 -1.70 3.02 -1.26 -4.98 115.26 105.04 1mrl n ASN 29 Ca -0.05 0.04 -0.27 0.00 -0.03 0.00 0.00 54.58 54.27 1mrl n ASN 29 Cb 0.50 -3.15 -0.17 0.00 -0.61 0.00 0.00 39.78 36.36 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 -2.60 1.00 -0.27 2.41 1.01 -1.26 -1.19 120.40 119.51 1mrl s VAL 30 Ca 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 1mrl s VAL 30 Cb 0.00 -1.17 0.04 0.00 0.00 0.00 0.00 36.38 35.25 1mrl s VAL 30 CO 0.00 0.16 -0.04 -0.70 0.00 0.00 0.00 175.10 174.53 1mrl s GLU 31 N 1.69 2.67 0.01 2.72 2.12 -0.04 -4.89 118.70 122.98 1mrl s GLU 31 Ca 0.02 -1.10 0.08 0.00 0.36 0.00 0.00 54.97 54.33 1mrl s GLU 31 Cb -0.15 -3.07 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 1mrl s GLU 31 CO -0.08 -0.49 -0.24 0.08 -0.54 0.00 0.00 175.26 173.99 1mrl s VAL 32 N 1.30 1.95 0.80 3.70 1.01 -1.26 -1.00 120.40 126.90 1mrl s VAL 32 Ca -0.02 -1.17 -0.10 0.00 0.00 0.00 0.00 61.98 60.70 1mrl s VAL 32 Cb -0.18 -1.64 0.12 0.00 0.00 0.00 0.00 36.38 34.68 1mrl s VAL 32 CO -0.03 0.44 1.14 -0.83 0.00 0.00 0.00 175.10 175.82 1mrl s GLY 33 N -0.86 1.71 0.47 4.51 0.00 -0.55 -4.82 107.32 107.79 1mrl s GLY 33 Ca 0.10 -1.09 -0.07 0.00 0.00 0.00 0.00 44.72 43.66 1mrl s GLY 33 CO 0.00 -0.53 0.80 -0.54 0.00 0.00 0.00 173.10 172.83 1mrl s GLU 34 N -5.49 3.61 0.00 2.90 2.02 -1.26 -4.14 118.70 116.35 1mrl s GLU 34 Ca 0.66 0.32 0.00 0.00 0.02 0.00 0.00 54.97 55.97 1mrl s GLU 34 Cb -0.08 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.79 1mrl s GLU 34 CO 0.48 -0.18 0.00 0.66 0.02 0.00 0.00 175.26 176.23 1mrl n TYR 35 N -2.02 0.00 -2.16 1.61 4.02 -1.26 -1.80 117.16 115.55 1mrl n TYR 35 Ca 0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.50 1mrl n TYR 35 Cb 0.55 -0.49 -0.02 0.00 -0.02 0.00 0.00 39.34 39.35 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 -2.43 6.84 0.23 7.72 0.01 -1.26 -4.45 113.70 120.36 1mrl s SER 36 Ca 0.00 2.59 0.02 0.00 1.31 0.00 0.00 55.95 59.87 1mrl s SER 36 Cb 0.00 -2.64 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 1mrl s SER 36 CO 0.00 -0.50 0.05 -0.72 0.41 0.00 0.00 173.24 172.48 1mrl s TYR 37 N -0.85 1.43 -0.04 2.43 -0.85 -0.75 -2.30 117.35 116.42 1mrl s TYR 37 Ca 0.50 -1.09 0.03 0.00 -0.52 0.00 0.00 57.07 56.00 1mrl s TYR 37 Cb -0.39 -0.83 0.00 0.00 0.38 0.00 0.00 41.96 41.13 1mrl s TYR 37 CO 0.48 -0.25 -0.12 -0.47 -1.52 0.00 0.00 175.55 173.67 1mrl s TYR 38 N -3.67 1.27 -0.57 -3.49 5.04 -0.25 -2.11 117.35 113.56 1mrl s TYR 38 Ca 0.32 -0.35 -0.15 0.00 -2.44 0.00 0.00 57.07 54.44 1mrl s TYR 38 Cb 0.07 -0.88 0.14 0.00 0.35 0.00 0.00 41.96 41.64 1mrl s TYR 38 CO 0.10 -0.14 0.52 0.34 -1.34 0.00 0.00 175.55 175.03 1mrl s ASP 39 N 0.18 6.23 0.35 4.32 2.15 -0.91 -1.78 116.67 127.22 1mrl s ASP 39 Ca -0.04 -1.90 -0.27 0.00 0.43 0.00 0.00 52.55 50.76 1mrl s ASP 39 Cb -0.10 -2.20 -0.12 0.00 -0.30 0.00 0.00 42.92 40.20 1mrl s ASP 39 CO 0.01 -0.82 1.24 -0.24 -0.17 0.00 0.00 175.17 175.20 1mrl n SER 40 N 5.09 2.50 0.06 -0.34 2.88 -0.76 -2.87 113.62 120.18 1mrl n SER 40 Ca -0.11 1.18 -0.22 0.00 -1.33 0.00 0.00 58.87 58.40 1mrl n SER 40 Cb 0.41 -1.46 -0.15 0.00 -0.75 0.00 0.00 64.21 62.26 1mrl n SER 40 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1mrl h LYS 41 N 2.37 0.34 0.00 -1.46 3.64 -1.92 -3.42 116.57 116.12 1mrl h LYS 41 Ca -0.46 -0.58 0.00 0.00 -1.27 0.00 0.00 60.65 58.34 1mrl h LYS 41 Cb 1.29 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 1mrl h LYS 41 CO 0.62 1.28 -0.03 0.09 -2.27 0.00 0.00 179.45 179.13 1mrl n ASN 42 N -3.94 0.00 0.00 4.20 3.02 -1.26 -4.99 115.26 112.28 1mrl n ASN 42 Ca -0.19 -1.07 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 1mrl n ASN 42 Cb 0.92 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 40.08 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 0.00 1.34 3.76 7.41 0.00 -1.26 -5.10 105.19 111.34 1mrl n GLY 43 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.21 3.06 -0.00 1.61 1.03 -1.26 -5.02 118.70 117.90 1mrl s GLU 44 Ca 0.00 1.70 -0.12 0.00 0.03 0.00 0.00 54.97 56.58 1mrl s GLU 44 Cb 0.00 -1.96 -0.05 0.00 -0.80 0.00 0.00 34.13 31.32 1mrl s GLU 44 CO 0.00 -1.10 0.35 0.95 -1.33 0.00 0.00 175.26 174.12 1mrl s THR 45 N -1.76 5.15 0.60 1.83 -4.23 -1.26 -4.72 115.64 111.25 1mrl s THR 45 Ca 0.74 0.59 0.28 0.00 -1.18 0.00 0.00 61.69 62.12 1mrl s THR 45 Cb -0.27 -3.63 0.41 0.00 1.34 0.00 0.00 72.50 70.35 1mrl s THR 45 CO 0.32 0.51 1.36 0.15 -0.54 0.00 0.00 174.62 176.42 1mrl h PHE 46 N 4.48 0.00 -0.14 3.99 3.57 -1.97 0.73 116.94 127.60 1mrl h PHE 46 Ca -0.52 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 60.97 1mrl h PHE 46 Cb 1.21 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1mrl h PHE 46 CO 0.71 0.00 0.01 0.38 -2.23 0.00 0.00 178.31 177.17 1mrl h ASP 47 N 0.00 0.18 0.48 0.41 2.03 -1.93 -0.30 116.42 117.29 1mrl h ASP 47 Ca 0.49 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.77 1mrl h ASP 47 Cb 2.84 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 41.29 1mrl h ASP 47 CO -0.01 0.22 0.00 0.29 -1.03 0.00 0.00 179.24 178.71 1mrl n LYS 48 N -4.42 0.05 0.03 4.15 4.76 0.25 -2.48 118.16 120.50 1mrl n LYS 48 Ca -0.01 0.22 0.12 0.00 -2.87 0.00 0.00 58.31 55.76 1mrl n LYS 48 Cb 0.15 -1.50 0.11 0.00 -1.84 0.00 0.00 35.03 31.95 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 -1.45 0.21 -3.03 1.97 1.13 -0.12 -4.79 117.38 111.29 1mrl n GLN 49 Ca 0.04 0.02 -0.43 0.00 -1.94 0.00 0.00 57.00 54.70 1mrl n GLN 49 Cb 0.17 -1.60 -0.06 0.00 0.11 0.00 0.00 30.24 28.86 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 -3.14 4.75 0.10 5.09 -1.09 -1.04 -2.31 121.20 123.57 1mrl s ILE 50 Ca 0.06 0.39 0.05 0.00 -2.23 0.00 0.00 60.65 58.93 1mrl s ILE 50 Cb 0.15 -4.23 -0.04 0.00 -1.58 0.00 0.00 42.46 36.76 1mrl s ILE 50 CO 0.76 -0.59 -0.02 -0.76 -1.23 0.00 0.00 174.94 173.10 1mrl s LEU 51 N 3.02 3.38 -1.44 2.97 1.43 -0.67 -4.67 118.68 122.70 1mrl s LEU 51 Ca 0.27 -0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.03 1mrl s LEU 51 Cb -0.13 -2.12 0.05 0.00 0.03 0.00 0.00 46.19 44.02 1mrl s LEU 51 CO 0.20 0.17 1.07 -1.22 0.23 0.00 0.00 176.35 176.79 1mrl n TYR 52 N 0.54 -2.55 -3.56 0.29 4.02 -1.26 -1.22 117.16 113.42 1mrl n TYR 52 Ca -0.11 0.96 -0.41 0.00 -0.01 0.00 0.00 57.90 58.32 1mrl n TYR 52 Cb 0.52 -4.50 -0.10 0.00 -0.02 0.00 0.00 39.34 35.24 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 -3.32 3.28 -0.08 -0.72 2.46 -1.26 -1.25 115.29 114.40 1mrl s HIS 53 Ca 0.59 -1.17 0.04 0.00 0.47 0.00 0.00 55.06 54.99 1mrl s HIS 53 Cb -0.28 -2.77 -0.01 0.00 -0.13 0.00 0.00 32.58 29.40 1mrl s HIS 53 CO 0.78 -0.75 -0.22 0.71 -2.47 0.00 0.00 174.74 172.79 1mrl s TYR 54 N 1.52 2.56 0.42 3.88 2.02 -1.26 -5.02 117.35 121.46 1mrl s TYR 54 Ca 0.03 -0.75 0.13 0.00 -0.37 0.00 0.00 57.07 56.10 1mrl s TYR 54 Cb -0.22 -1.67 0.98 0.00 -0.40 0.00 0.00 41.96 40.66 1mrl s TYR 54 CO 0.05 -0.24 1.96 -1.35 -1.57 0.00 0.00 175.55 174.40 1mrl h PRO 55 N 6.28 0.46 0.00 -1.71 0.11 -1.94 -2.12 132.00 133.08 1mrl h PRO 55 Ca -0.29 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 1mrl h PRO 55 Cb 1.20 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1mrl h PRO 55 CO 0.49 0.30 -0.07 0.97 -0.21 0.00 0.00 178.00 179.48 1mrl h ILE 56 N 0.47 0.53 0.00 4.15 6.09 -1.99 -2.53 117.51 124.23 1mrl h ILE 56 Ca 0.31 -0.32 0.00 0.00 -1.37 0.00 0.00 64.86 63.47 1mrl h ILE 56 Cb 0.56 1.21 0.00 0.00 0.47 0.00 0.00 36.82 39.07 1mrl h ILE 56 CO -0.09 0.07 -0.49 0.18 -3.07 0.00 0.00 178.15 174.75 1mrl n LEU 57 N -3.70 0.61 -0.47 2.19 4.77 -0.80 -4.96 117.00 114.65 1mrl n LEU 57 Ca -0.02 0.23 -0.06 0.00 -0.03 0.00 0.00 56.01 56.13 1mrl n LEU 57 Cb 0.18 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1mrl n LEU 57 CO 0.29 -0.02 -0.06 -3.20 -1.33 0.00 0.00 177.39 173.07 1mrl n ASN 58 N -1.95 -5.28 -4.77 -1.43 5.15 -0.95 -4.98 115.26 101.05 1mrl n ASN 58 Ca 0.04 0.15 -0.39 0.00 -0.60 0.00 0.00 54.58 53.78 1mrl n ASN 58 Cb 0.41 -3.33 -0.06 0.00 -0.53 0.00 0.00 39.78 36.27 1mrl n ASN 58 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 1mrl s ASP 59 N -2.30 7.40 0.13 1.20 -4.77 -1.26 -5.03 116.67 112.03 1mrl s ASP 59 Ca 0.00 1.65 0.09 0.00 -3.30 0.00 0.00 52.55 50.99 1mrl s ASP 59 Cb 0.00 -2.50 -0.04 0.00 -1.09 0.00 0.00 42.92 39.29 1mrl s ASP 59 CO 0.00 0.20 -0.16 -0.54 0.70 0.00 0.00 175.17 175.37 1mrl s LYS 60 N -1.09 1.87 -0.17 2.11 -0.14 -1.26 -4.93 119.74 116.14 1mrl s LYS 60 Ca 0.36 -1.19 -0.02 0.00 -1.36 0.00 0.00 55.97 53.76 1mrl s LYS 60 Cb -0.23 -2.14 -0.02 0.00 -1.68 0.00 0.00 37.83 33.76 1mrl s LYS 60 CO 0.26 0.47 -0.08 -1.17 -0.76 0.00 0.00 175.35 174.08 1mrl s LEU 61 N -2.30 2.90 -0.08 3.17 2.96 -0.33 -2.05 118.68 122.95 1mrl s LEU 61 Ca 0.20 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 53.83 1mrl s LEU 61 Cb -0.10 -1.69 0.01 0.00 0.50 0.00 0.00 46.19 44.91 1mrl s LEU 61 CO 0.12 0.10 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.56 1mrl s LYS 62 N 0.73 2.07 -0.04 1.98 1.02 -0.11 -0.86 119.74 124.53 1mrl s LYS 62 Ca -0.04 -0.53 0.04 0.00 0.02 0.00 0.00 55.97 55.47 1mrl s LYS 62 Cb -0.15 -1.69 -0.00 0.00 -0.52 0.00 0.00 37.83 35.47 1mrl s LYS 62 CO 0.02 0.03 -0.17 0.42 -0.92 0.00 0.00 175.35 174.73 1mrl s ILE 63 N 0.70 1.40 0.00 2.17 1.01 -0.17 0.48 121.20 126.79 1mrl s ILE 63 Ca -0.13 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.81 1mrl s ILE 63 Cb -0.16 -1.20 0.00 0.00 0.01 0.00 0.00 42.46 41.11 1mrl s ILE 63 CO 0.03 0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.99 1mrl n GLY 64 N 3.10 -1.27 3.88 6.18 0.00 0.14 -1.48 105.19 115.74 1mrl n GLY 64 Ca -0.18 -1.54 -0.22 0.00 0.00 0.00 0.00 46.02 44.08 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 3.13 -1.40 1.61 1.02 -1.26 -2.77 119.74 120.06 1mrl s LYS 65 Ca 0.00 -0.93 -0.05 0.00 0.02 0.00 0.00 55.97 55.01 1mrl s LYS 65 Cb 0.00 -2.70 0.03 0.00 -0.52 0.00 0.00 37.83 34.65 1mrl s LYS 65 CO 0.00 0.42 0.78 1.19 -0.92 0.00 0.00 175.35 176.82 1mrl n PHE 66 N -1.23 -2.03 -3.95 3.18 3.72 -0.74 -0.92 117.46 115.48 1mrl n PHE 66 Ca -0.08 0.86 -0.28 0.00 -0.05 0.00 0.00 57.45 57.90 1mrl n PHE 66 Cb 0.57 -4.18 -0.04 0.00 -0.94 0.00 0.00 39.48 34.90 1mrl n PHE 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mrl s SER 68 N -2.99 4.37 -0.28 0.00 0.01 0.47 -1.81 113.70 113.47 1mrl s SER 68 Ca 0.34 -1.41 -0.08 0.00 1.31 0.00 0.00 55.95 56.11 1mrl s SER 68 Cb -0.12 -1.49 -0.01 0.00 0.21 0.00 0.00 66.02 64.61 1mrl s SER 68 CO 0.28 -0.21 0.09 -0.63 0.41 0.00 0.00 173.24 173.18 1mrl s ILE 69 N 1.14 4.27 0.83 1.44 1.01 -0.90 -0.69 121.20 128.31 1mrl s ILE 69 Ca -0.07 -0.39 -0.11 0.00 0.00 0.00 0.00 60.65 60.08 1mrl s ILE 69 Cb -0.20 -3.11 0.09 0.00 0.01 0.00 0.00 42.46 39.26 1mrl s ILE 69 CO -0.05 0.19 1.09 -0.83 0.00 0.00 0.00 174.94 175.34 1mrl s GLY 70 N 1.58 1.65 0.43 6.18 0.00 0.19 -2.14 107.32 115.21 1mrl s GLY 70 Ca 0.05 0.14 -0.26 0.00 0.00 0.00 0.00 44.72 44.65 1mrl s GLY 70 CO 0.04 0.55 1.43 2.56 0.00 0.00 0.00 173.10 177.67 1mrl s PRO 71 N -4.91 3.81 0.00 2.90 0.04 -1.14 -3.23 135.00 132.48 1mrl s PRO 71 Ca 0.62 2.42 0.00 0.00 0.04 0.00 0.00 61.00 64.08 1mrl s PRO 71 Cb -0.18 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1mrl s PRO 71 CO 0.56 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 177.30 1mrl n GLY 72 N 0.57 0.97 3.72 0.56 0.00 -1.26 -0.98 105.19 108.77 1mrl n GLY 72 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1mrl n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mrl s VAL 73 N -3.89 2.76 0.05 1.61 1.01 -1.20 -4.25 120.40 116.49 1mrl s VAL 73 Ca 0.00 0.55 0.08 0.00 0.00 0.00 0.00 61.98 62.61 1mrl s VAL 73 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1mrl s VAL 73 CO 0.00 0.04 -0.23 0.42 0.00 0.00 0.00 175.10 175.33 1mrl s THR 74 N 1.10 1.90 -0.21 3.92 -4.23 -0.62 -4.84 115.64 112.65 1mrl s THR 74 Ca 0.69 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1mrl s THR 74 Cb -0.42 -1.64 0.02 0.00 1.34 0.00 0.00 72.50 71.80 1mrl s THR 74 CO 0.31 0.27 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.91 1mrl s ILE 75 N -0.81 2.44 -0.26 2.99 1.01 -0.98 -1.32 121.20 124.28 1mrl s ILE 75 Ca 0.10 -1.02 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 1mrl s ILE 75 Cb -0.09 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 1mrl s ILE 75 CO 0.02 0.35 0.41 -0.63 0.00 0.00 0.00 174.94 175.09 1mrl s ILE 76 N 1.29 5.16 0.40 2.92 -1.09 -0.21 -1.67 121.20 128.00 1mrl s ILE 76 Ca 0.02 0.65 -0.01 0.00 -2.23 0.00 0.00 60.65 59.08 1mrl s ILE 76 Cb -0.15 -3.73 0.08 0.00 -1.58 0.00 0.00 42.46 37.08 1mrl s ILE 76 CO -0.08 0.16 0.55 0.23 -1.23 0.00 0.00 174.94 174.56 1mrl n MET 77 N 5.23 0.15 0.00 2.79 2.81 -0.36 -2.58 117.12 125.16 1mrl n MET 77 Ca -0.08 -1.42 0.07 0.00 -1.81 0.00 0.00 57.70 54.46 1mrl n MET 77 Cb 0.51 -0.39 0.35 0.00 -0.71 0.00 0.00 33.22 32.98 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 -2.99 0.00 0.00 7.83 3.02 -1.25 -3.60 115.26 118.27 1mrl n ASN 78 Ca 0.09 0.10 0.05 0.00 -0.03 0.00 0.00 54.58 54.78 1mrl n ASN 78 Cb 0.32 -0.29 0.23 0.00 -0.61 0.00 0.00 39.78 39.43 1mrl n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mrl n GLY 79 N -0.09 -0.80 0.02 7.41 0.00 -0.38 -2.64 105.19 108.71 1mrl n GLY 79 Ca 0.07 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1mrl n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mrl n ALA 80 N -1.45 3.54 -2.14 4.61 0.00 -1.24 -4.94 120.51 118.89 1mrl n ALA 80 Ca 0.03 -0.38 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 1mrl n ALA 80 Cb 0.11 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 1mrl n ALA 80 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1mrl s ASN 81 N -3.53 6.85 0.48 0.00 0.01 -1.08 -5.04 114.94 112.63 1mrl s ASN 81 Ca 0.07 2.33 0.03 0.00 -0.71 0.00 0.00 52.86 54.58 1mrl s ASN 81 Cb 0.16 -2.59 0.01 0.00 0.41 0.00 0.00 41.25 39.24 1mrl s ASN 81 CO 0.76 -0.62 0.68 -1.00 -1.51 0.00 0.00 177.10 175.41 1mrl s HIS 82 N 0.88 2.98 0.33 2.20 3.76 -1.26 -4.95 115.29 119.23 1mrl s HIS 82 Ca 0.63 -0.02 -0.28 0.00 -0.15 0.00 0.00 55.06 55.23 1mrl s HIS 82 Cb -0.37 -2.49 -0.10 0.00 1.11 0.00 0.00 32.58 30.73 1mrl s HIS 82 CO 0.32 -0.57 1.25 0.50 -0.85 0.00 0.00 174.74 175.40 1mrl s ARG 83 N -4.58 4.38 -0.00 1.40 3.52 -1.26 -4.71 118.95 117.70 1mrl s ARG 83 Ca 0.53 2.10 0.00 0.00 -0.13 0.00 0.00 55.73 58.24 1mrl s ARG 83 Cb -0.10 -3.05 -0.00 0.00 -1.56 0.00 0.00 34.95 30.23 1mrl s ARG 83 CO 0.37 -0.13 0.00 -1.33 -0.81 0.00 0.00 175.30 173.40 1mrl n MET 84 N 0.80 6.38 0.00 5.12 2.81 -1.26 -4.25 117.12 126.71 1mrl n MET 84 Ca 0.00 -0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.02 1mrl n MET 84 Cb 0.43 -0.55 0.69 0.00 -0.71 0.00 0.00 33.22 33.08 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 -1.04 0.00 0.00 7.83 5.75 -1.26 -4.84 116.55 122.98 1mrl n ASP 85 Ca 0.00 -0.37 0.00 0.00 -0.01 0.00 0.00 54.79 54.41 1mrl n ASP 85 Cb 0.00 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 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 0.74 3.69 3.77 6.12 0.00 -1.26 -5.13 105.19 113.12 1mrl n GLY 86 Ca 0.15 -0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 1.73 6.67 0.00 1.61 0.15 -1.26 -4.93 113.70 117.68 1mrl s SER 87 Ca 0.00 2.38 0.13 0.00 0.70 0.00 0.00 55.95 59.16 1mrl s SER 87 Cb 0.00 -2.62 0.43 0.00 -1.71 0.00 0.00 66.02 62.12 1mrl s SER 87 CO 0.00 -0.57 1.33 0.35 1.20 0.00 0.00 173.24 175.55 1mrl n THR 88 N 0.35 0.34 -2.49 6.45 -2.24 -1.26 -4.75 114.28 110.68 1mrl n THR 88 Ca 0.03 -0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 61.01 1mrl n THR 88 Cb 0.46 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.88 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 -1.66 3.19 -1.46 4.78 6.14 -1.26 -4.70 117.35 122.37 1mrl s TYR 89 Ca 0.24 1.24 -0.12 0.00 0.64 0.00 0.00 57.07 59.07 1mrl s TYR 89 Cb 0.12 -3.40 0.03 0.00 0.42 0.00 0.00 41.96 39.14 1mrl s TYR 89 CO 0.17 -1.22 2.35 -2.30 0.64 0.00 0.00 175.55 175.20 1mrl n PRO 90 N 5.34 3.24 -0.06 4.97 -0.02 -1.26 -4.81 135.00 142.40 1mrl n PRO 90 Ca 0.11 -2.69 -0.09 0.00 -2.02 0.00 0.00 63.50 58.81 1mrl n PRO 90 Cb 0.46 -3.10 -0.06 0.00 -0.02 0.00 0.00 33.50 30.78 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 5.67 -1.08 -1.16 6.00 -1.00 -1.92 -2.08 116.94 121.36 1mrl h PHE 91 Ca 0.62 0.05 0.36 0.00 2.81 0.00 0.00 57.97 61.81 1mrl h PHE 91 Cb 0.54 0.50 -0.07 0.00 3.61 0.00 0.00 35.95 40.53 1mrl h PHE 91 CO 1.53 -0.33 0.81 0.27 -1.61 0.00 0.00 178.31 178.98 1mrl n ASN 92 N -4.41 0.06 0.00 2.17 6.94 -1.23 -0.46 115.26 118.32 1mrl n ASN 92 Ca -0.03 0.77 0.12 0.00 -0.02 0.00 0.00 54.58 55.42 1mrl n ASN 92 Cb 0.23 -0.38 0.58 0.00 -2.36 0.00 0.00 39.78 37.84 1mrl n ASN 92 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1mrl n LEU 93 N -3.57 0.00 -0.00 -4.53 7.94 -0.78 -3.51 117.00 112.54 1mrl n LEU 93 Ca 0.29 0.39 0.10 0.00 -1.11 0.00 0.00 56.01 55.68 1mrl n LEU 93 Cb 1.23 -0.39 -0.12 0.00 0.53 0.00 0.00 43.42 44.67 1mrl n LEU 93 CO 0.23 -0.06 -0.25 0.49 -1.11 0.00 0.00 177.39 176.68 1mrl n PHE 94 N -1.39 0.02 -3.60 1.96 3.01 0.39 -5.08 117.46 112.77 1mrl n PHE 94 Ca 0.09 0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1mrl n PHE 94 Cb 0.24 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 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 1.42 0.07 4.23 1.37 0.00 -1.23 -4.97 105.19 106.08 1mrl n GLY 95 Ca 0.01 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.63 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 2.46 0.04 0.00 1.61 5.03 -1.26 0.14 115.26 123.28 1mrl n ASN 96 Ca 0.00 -1.24 0.00 0.00 0.87 0.00 0.00 54.58 54.21 1mrl n ASN 96 Cb 0.00 -1.82 0.00 0.00 -1.02 0.00 0.00 39.78 36.94 1mrl n ASN 96 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1mrl n GLY 97 N -2.43 3.02 0.17 7.41 0.00 -1.26 -4.85 105.19 107.26 1mrl n GLY 97 Ca -0.30 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.86 1mrl n GLY 97 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1mrl h TRP 98 N 0.00 0.00 0.00 1.61 4.06 -0.64 -3.11 115.95 117.87 1mrl h TRP 98 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1mrl h TRP 98 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 1mrl h TRP 98 CO 0.00 0.00 0.03 1.05 -3.56 0.00 0.00 178.44 175.96 1mrl h GLU 99 N 0.00 0.00 0.00 0.49 9.09 -1.69 0.48 114.58 122.95 1mrl h GLU 99 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 1mrl h GLU 99 Cb 0.54 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.63 1mrl h GLU 99 CO 0.00 0.00 -0.06 1.57 0.05 0.00 0.00 179.01 180.57 1mrl h LYS 100 N 0.00 0.00 -0.96 1.06 2.10 -1.88 -2.87 116.57 114.02 1mrl h LYS 100 Ca 0.00 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.48 1mrl h LYS 100 Cb 0.06 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.29 1mrl h LYS 100 CO 0.00 0.06 0.21 0.72 -2.00 0.00 0.00 179.45 178.44 1mrl n HIS 101 N -3.21 1.19 -2.48 0.07 8.25 0.16 -4.91 115.22 114.28 1mrl n HIS 101 Ca -0.00 -0.88 -0.42 0.00 -0.26 0.00 0.00 57.72 56.16 1mrl n HIS 101 Cb 0.31 -0.48 -0.03 0.00 1.12 0.00 0.00 29.99 30.91 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 -1.47 4.45 0.53 -0.41 0.00 -1.09 -4.42 119.30 116.90 1mrl s MET 102 Ca 0.24 1.69 -0.20 0.00 0.00 0.00 0.00 55.69 57.42 1mrl s MET 102 Cb 0.20 -3.39 -0.06 0.00 0.00 0.00 0.00 34.83 31.58 1mrl s MET 102 CO 0.05 -0.23 1.13 -2.14 0.00 0.00 0.00 175.02 173.84 1mrl s PRO 103 N 1.13 3.40 0.86 4.11 0.02 -1.26 -5.04 135.00 138.22 1mrl s PRO 103 Ca 0.57 1.63 -0.13 0.00 0.02 0.00 0.00 61.00 63.10 1mrl s PRO 103 Cb -0.27 -2.05 0.11 0.00 0.02 0.00 0.00 34.50 32.31 1mrl s PRO 103 CO 0.28 -0.81 1.19 -1.59 -0.33 0.00 0.00 177.00 175.75 1mrl s LYS 104 N -3.21 1.55 0.46 5.54 0.00 -1.26 -4.95 119.74 117.87 1mrl s LYS 104 Ca 0.72 0.06 0.25 0.00 0.00 0.00 0.00 55.97 56.99 1mrl s LYS 104 Cb -0.24 -1.91 1.04 0.00 0.00 0.00 0.00 37.83 36.72 1mrl s LYS 104 CO 0.28 -1.87 1.88 -0.07 0.00 0.00 0.00 175.35 175.57 1mrl h LEU 105 N -1.26 0.00 -0.52 2.77 3.38 -1.96 -2.70 115.31 115.02 1mrl h LEU 105 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1mrl h LEU 105 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1mrl h LEU 105 CO 0.60 0.20 0.00 -0.78 0.09 0.00 0.00 178.44 178.55 1mrl h ASP 106 N 0.00 0.00 -0.68 -0.43 1.82 -2.03 -3.06 116.42 112.04 1mrl h ASP 106 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1mrl h ASP 106 Cb 0.66 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.67 1mrl h ASP 106 CO 0.03 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.66 1mrl n GLN 107 N -2.43 2.74 -4.71 0.28 6.02 -1.02 -4.89 117.38 113.37 1mrl n GLN 107 Ca 0.03 -2.58 -0.33 0.00 -0.01 0.00 0.00 57.00 54.11 1mrl n GLN 107 Cb 0.33 -1.53 -0.13 0.00 1.02 0.00 0.00 30.24 29.93 1mrl n GLN 107 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1mrl s LEU 108 N -1.01 2.88 0.27 1.08 1.43 -1.16 -4.66 118.68 117.51 1mrl s LEU 108 Ca 0.45 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 53.03 1mrl s LEU 108 Cb 0.24 -1.64 -0.10 0.00 0.03 0.00 0.00 46.19 44.71 1mrl s LEU 108 CO 0.31 0.23 1.48 -2.84 0.23 0.00 0.00 176.35 175.76 1mrl s PRO 109 N -0.02 4.22 -0.22 1.29 0.02 -1.26 -5.00 135.00 134.02 1mrl s PRO 109 Ca -0.02 2.39 0.01 0.00 0.02 0.00 0.00 61.00 63.41 1mrl s PRO 109 Cb -0.14 -3.08 0.05 0.00 0.02 0.00 0.00 34.50 31.35 1mrl s PRO 109 CO 0.04 -0.48 -0.10 -1.50 -0.33 0.00 0.00 177.00 174.62 1mrl s ILE 110 N -0.08 1.77 -2.19 2.83 1.10 -1.26 -4.96 121.20 118.40 1mrl s ILE 110 Ca 0.60 -1.20 0.28 0.00 -0.51 0.00 0.00 60.65 59.83 1mrl s ILE 110 Cb -0.44 -1.88 0.54 0.00 0.15 0.00 0.00 42.46 40.84 1mrl s ILE 110 CO 0.46 0.09 1.80 0.29 -2.11 0.00 0.00 174.94 175.46 1mrl n LYS 111 N 4.62 1.31 0.00 3.50 5.02 -1.26 -5.05 118.16 126.29 1mrl n LYS 111 Ca -0.14 -0.66 0.00 0.00 -2.02 0.00 0.00 58.31 55.49 1mrl n LYS 111 Cb 0.45 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1mrl n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mrl n GLY 112 N 1.19 -2.25 3.86 0.72 0.00 -1.26 -4.21 105.19 103.24 1mrl n GLY 112 Ca 0.18 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 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 -3.21 5.75 -0.26 1.61 1.01 -1.26 -3.74 116.67 116.57 1mrl s ASP 113 Ca 0.00 1.40 -0.07 0.00 0.71 0.00 0.00 52.55 54.58 1mrl s ASP 113 Cb 0.00 -2.34 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 1mrl s ASP 113 CO 0.00 -1.18 0.08 -0.89 0.21 0.00 0.00 175.17 173.39 1mrl s THR 114 N -3.18 4.27 -0.18 -1.27 2.01 -0.87 -3.86 115.64 112.55 1mrl s THR 114 Ca 0.57 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.31 1mrl s THR 114 Cb -0.12 -3.04 0.03 0.00 0.01 0.00 0.00 72.50 69.38 1mrl s THR 114 CO 0.54 0.28 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.99 1mrl s ILE 115 N 1.60 1.71 -0.20 1.82 1.01 -0.59 -0.94 121.20 125.62 1mrl s ILE 115 Ca 0.06 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 59.71 1mrl s ILE 115 Cb -0.16 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1mrl s ILE 115 CO 0.04 0.30 0.06 -0.63 0.00 0.00 0.00 174.94 174.71 1mrl s ILE 116 N 1.39 4.65 0.00 2.92 -1.09 0.18 -0.98 121.20 128.27 1mrl s ILE 116 Ca 0.01 -0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.35 1mrl s ILE 116 Cb -0.15 -3.12 0.00 0.00 -1.58 0.00 0.00 42.46 37.62 1mrl s ILE 116 CO -0.09 0.43 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 1mrl n GLY 117 N 3.90 -1.26 3.91 6.18 0.00 -0.33 -0.69 105.19 116.91 1mrl n GLY 117 Ca -0.16 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.27 6.44 -1.39 1.61 -0.87 -1.26 -2.32 114.94 115.87 1mrl s ASN 118 Ca 0.00 0.47 -0.09 0.00 -1.57 0.00 0.00 52.86 51.68 1mrl s ASN 118 Cb 0.00 -2.04 0.01 0.00 -0.02 0.00 0.00 41.25 39.20 1mrl s ASN 118 CO 0.00 0.05 1.12 -0.67 -2.57 0.00 0.00 177.10 175.03 1mrl n ASP 119 N -0.07 -6.30 -4.84 -1.22 4.64 -0.10 -0.61 116.55 108.06 1mrl n ASP 119 Ca -0.03 -0.52 -0.36 0.00 -1.38 0.00 0.00 54.79 52.49 1mrl n ASP 119 Cb 0.52 -4.97 -0.07 0.00 -1.04 0.00 0.00 41.12 35.57 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 -3.30 5.43 -0.31 5.18 1.01 -1.25 -3.49 120.40 123.67 1mrl s VAL 120 Ca 0.56 0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.68 1mrl s VAL 120 Cb -0.25 -3.39 0.03 0.00 0.00 0.00 0.00 36.38 32.77 1mrl s VAL 120 CO 0.70 0.58 0.05 0.86 0.00 0.00 0.00 175.10 177.29 1mrl s TRP 121 N -0.70 3.21 -0.27 5.22 -0.00 -0.89 -0.39 118.94 125.12 1mrl s TRP 121 Ca 0.13 -1.46 -0.09 0.00 -0.00 0.00 0.00 56.10 54.68 1mrl s TRP 121 Cb -0.12 -2.20 -0.03 0.00 -0.00 0.00 0.00 33.47 31.12 1mrl s TRP 121 CO 0.03 -0.72 0.12 0.42 -0.00 0.00 0.00 176.95 176.80 1mrl s ILE 122 N 1.38 4.67 1.09 5.86 -1.09 0.14 -1.21 121.20 132.03 1mrl s ILE 122 Ca -0.02 -0.09 -0.13 0.00 -2.23 0.00 0.00 60.65 58.19 1mrl s ILE 122 Cb -0.19 -3.23 0.24 0.00 -1.58 0.00 0.00 42.46 37.71 1mrl s ILE 122 CO 0.01 0.28 1.06 -0.83 -1.23 0.00 0.00 174.94 174.22 1mrl s GLY 123 N 1.66 1.56 0.28 6.18 0.00 -0.43 -0.64 107.32 115.93 1mrl s GLY 123 Ca 0.06 -0.21 -0.30 0.00 0.00 0.00 0.00 44.72 44.27 1mrl s GLY 123 CO 0.06 0.45 1.44 1.25 0.00 0.00 0.00 173.10 176.30 1mrl s LYS 124 N -4.69 4.25 -1.54 2.90 2.20 -1.26 -3.37 119.74 118.23 1mrl s LYS 124 Ca 0.67 2.34 0.00 0.00 -0.36 0.00 0.00 55.97 58.62 1mrl s LYS 124 Cb -0.22 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 1mrl s LYS 124 CO 0.61 -0.41 0.00 -0.25 -0.36 0.00 0.00 175.35 174.94 1mrl n ASP 125 N 1.86 -5.03 -4.75 1.43 10.43 -0.15 -0.89 116.55 119.46 1mrl n ASP 125 Ca 0.05 0.08 -0.40 0.00 2.57 0.00 0.00 54.79 57.09 1mrl n ASP 125 Cb 0.40 -4.10 -0.06 0.00 1.84 0.00 0.00 41.12 39.20 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 -2.80 4.21 -0.16 2.53 1.01 -1.22 -4.21 120.40 119.75 1mrl s VAL 126 Ca 0.00 2.05 -0.03 0.00 0.00 0.00 0.00 61.98 64.00 1mrl s VAL 126 Cb 0.00 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 1mrl s VAL 126 CO 0.00 0.45 -0.04 -0.69 0.00 0.00 0.00 175.10 174.82 1mrl s VAL 127 N -0.87 3.77 -0.21 2.92 1.01 -0.18 -1.59 120.40 125.25 1mrl s VAL 127 Ca 0.42 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 1mrl s VAL 127 Cb -0.25 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1mrl s VAL 127 CO 0.31 0.48 0.05 -0.63 0.00 0.00 0.00 175.10 175.31 1mrl s ILE 128 N 0.50 4.36 0.51 2.22 -1.09 -0.44 -1.51 121.20 125.76 1mrl s ILE 128 Ca -0.04 -0.17 -0.09 0.00 -2.23 0.00 0.00 60.65 58.12 1mrl s ILE 128 Cb -0.14 -2.99 -0.05 0.00 -1.58 0.00 0.00 42.46 37.70 1mrl s ILE 128 CO 0.03 0.40 0.87 0.00 -1.23 0.00 0.00 174.94 175.01 1mrl s MET 129 N 1.01 3.64 0.45 2.79 0.00 -0.54 -1.05 119.30 125.61 1mrl s MET 129 Ca 0.03 0.48 -0.25 0.00 0.00 0.00 0.00 55.69 55.95 1mrl s MET 129 Cb -0.14 -2.27 -0.08 0.00 0.00 0.00 0.00 34.83 32.33 1mrl s MET 129 CO 0.03 -0.28 1.43 -2.14 0.00 0.00 0.00 175.02 174.06 1mrl s PRO 130 N -4.62 3.68 -0.08 3.16 0.02 -1.07 -3.31 135.00 132.79 1mrl s PRO 130 Ca 0.51 2.43 0.00 0.00 0.02 0.00 0.00 61.00 63.97 1mrl s PRO 130 Cb -0.10 -2.66 0.00 0.00 0.02 0.00 0.00 34.50 31.76 1mrl s PRO 130 CO 0.43 -0.82 0.00 0.41 -0.33 0.00 0.00 177.00 176.69 1mrl n GLY 131 N 0.57 0.47 3.78 0.52 0.00 -1.25 -4.89 105.19 104.40 1mrl n GLY 131 Ca 0.05 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1mrl n GLY 131 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mrl s VAL 132 N -1.89 4.33 -0.10 1.61 1.01 -1.21 -4.78 120.40 119.37 1mrl s VAL 132 Ca 0.00 1.68 0.04 0.00 0.00 0.00 0.00 61.98 63.70 1mrl s VAL 132 Cb 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1mrl s VAL 132 CO 0.00 0.31 -0.24 -0.54 0.00 0.00 0.00 175.10 174.63 1mrl s LYS 133 N -1.67 3.06 -0.17 2.72 3.01 -1.26 -1.54 119.74 123.89 1mrl s LYS 133 Ca 0.43 -0.87 0.01 0.00 -1.01 0.00 0.00 55.97 54.53 1mrl s LYS 133 Cb -0.20 -2.31 0.02 0.00 -1.01 0.00 0.00 37.83 34.32 1mrl s LYS 133 CO 0.25 0.17 -0.19 0.42 0.51 0.00 0.00 175.35 176.51 1mrl s ILE 134 N 0.36 1.96 0.92 2.17 1.01 -0.15 -1.54 121.20 125.93 1mrl s ILE 134 Ca -0.18 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 59.47 1mrl s ILE 134 Cb -0.18 -1.77 0.15 0.00 0.01 0.00 0.00 42.46 40.66 1mrl s ILE 134 CO 0.08 0.52 1.09 -0.83 0.00 0.00 0.00 174.94 175.81 1mrl s GLY 135 N 1.26 1.62 0.60 6.18 0.00 -0.38 -1.18 107.32 115.42 1mrl s GLY 135 Ca 0.03 0.01 -0.20 0.00 0.00 0.00 0.00 44.72 44.57 1mrl s GLY 135 CO -0.11 0.52 1.27 1.22 0.00 0.00 0.00 173.10 175.99 1mrl n ASP 136 N -4.03 2.11 -1.57 1.64 8.00 -1.26 -3.20 116.55 118.24 1mrl n ASP 136 Ca 0.07 0.89 -0.20 0.00 0.71 0.00 0.00 54.79 56.26 1mrl n ASP 136 Cb 0.55 -1.54 -0.08 0.00 -0.02 0.00 0.00 41.12 40.03 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 0.92 1.85 3.89 0.44 0.00 0.22 -0.77 105.19 111.73 1mrl n GLY 137 Ca 0.13 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.75 3.26 -0.09 4.61 0.00 -1.19 -3.75 121.76 121.85 1mrl s ALA 138 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1mrl s ALA 138 Cb 0.00 -2.82 0.02 0.00 0.00 0.00 0.00 23.12 20.32 1mrl s ALA 138 CO 0.00 -0.50 -0.12 0.42 0.00 0.00 0.00 175.76 175.57 1mrl s ILE 139 N -2.93 1.17 -0.28 0.00 1.01 -0.53 -2.09 121.20 117.55 1mrl s ILE 139 Ca 0.51 -0.46 -0.05 0.00 0.00 0.00 0.00 60.65 60.65 1mrl s ILE 139 Cb -0.11 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.27 1mrl s ILE 139 CO 0.49 0.37 0.04 -0.69 0.00 0.00 0.00 174.94 175.15 1mrl s VAL 140 N 1.00 3.65 0.54 2.92 1.01 -0.35 -1.40 120.40 127.78 1mrl s VAL 140 Ca -0.08 -0.77 -0.21 0.00 0.00 0.00 0.00 61.98 60.93 1mrl s VAL 140 Cb -0.15 -2.86 -0.06 0.00 0.00 0.00 0.00 36.38 33.30 1mrl s VAL 140 CO -0.01 0.13 1.05 0.00 0.00 0.00 0.00 175.10 176.27 1mrl n ALA 141 N 4.81 0.44 -1.29 5.51 0.00 0.51 -1.32 120.51 129.17 1mrl n ALA 141 Ca -0.15 0.09 -0.35 0.00 0.00 0.00 0.00 53.44 53.03 1mrl n ALA 141 Cb 0.48 -2.15 0.11 0.00 0.00 0.00 0.00 19.45 17.89 1mrl n ALA 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mrl s ALA 142 N -1.41 1.98 -1.73 0.00 0.00 -1.26 -3.15 121.76 116.20 1mrl s ALA 142 Ca 0.71 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.65 1mrl s ALA 142 Cb -0.45 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.15 1mrl s ALA 142 CO 0.50 -2.11 0.00 0.09 0.00 0.00 0.00 175.76 174.24 1mrl n ASN 143 N -2.90 -4.98 -4.87 0.00 3.02 -0.07 -4.82 115.26 100.64 1mrl n ASN 143 Ca 0.14 0.37 -0.30 0.00 -0.03 0.00 0.00 54.58 54.76 1mrl n ASN 143 Cb 0.50 -3.95 -0.04 0.00 -0.61 0.00 0.00 39.78 35.68 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 -2.78 6.55 -0.29 6.41 0.01 -1.19 -4.81 113.70 117.60 1mrl s SER 144 Ca 0.00 1.11 0.03 0.00 1.31 0.00 0.00 55.95 58.40 1mrl s SER 144 Cb 0.00 -2.31 0.08 0.00 0.21 0.00 0.00 66.02 64.00 1mrl s SER 144 CO 0.00 -0.35 -0.02 -0.69 0.41 0.00 0.00 173.24 172.59 1mrl s VAL 145 N -2.29 2.03 -0.34 3.43 1.01 -0.61 -1.01 120.40 122.63 1mrl s VAL 145 Ca 0.51 -1.85 -0.21 0.00 0.00 0.00 0.00 61.98 60.43 1mrl s VAL 145 Cb -0.10 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1mrl s VAL 145 CO 0.29 -0.32 0.65 -0.69 0.00 0.00 0.00 175.10 175.04 1mrl s VAL 146 N 1.10 4.88 -0.13 2.92 1.01 -0.57 -1.55 120.40 128.07 1mrl s VAL 146 Ca 0.01 0.69 0.07 0.00 0.00 0.00 0.00 61.98 62.75 1mrl s VAL 146 Cb -0.19 -4.07 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 1mrl s VAL 146 CO -0.08 -0.29 0.21 1.33 0.00 0.00 0.00 175.10 176.28 1mrl n VAL 147 N 5.56 0.00 -4.31 2.92 0.24 -1.26 -1.47 118.33 120.02 1mrl n VAL 147 Ca -0.01 -0.23 -0.17 0.00 -2.04 0.00 0.00 64.34 61.90 1mrl n VAL 147 Cb 0.49 0.58 -0.10 0.00 -1.47 0.00 0.00 33.84 33.34 1mrl n VAL 147 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1mrl s LYS 148 N -2.19 1.23 0.68 7.34 -2.85 -1.26 -4.91 119.74 117.78 1mrl s LYS 148 Ca -0.01 -1.55 -0.17 0.00 -1.00 0.00 0.00 55.97 53.24 1mrl s LYS 148 Cb 0.05 -0.84 -0.01 0.00 -2.06 0.00 0.00 37.83 34.97 1mrl s LYS 148 CO 0.29 0.09 1.02 -0.25 0.10 0.00 0.00 175.35 176.61 1mrl n ASP 149 N -0.32 0.79 -4.04 0.03 9.92 -1.26 -4.80 116.55 116.87 1mrl n ASP 149 Ca -0.08 0.72 -0.28 0.00 -0.53 0.00 0.00 54.79 54.61 1mrl n ASP 149 Cb 0.61 -1.43 -0.17 0.00 -0.64 0.00 0.00 41.12 39.50 1mrl n ASP 149 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1mrl s ILE 150 N -1.69 1.45 0.86 0.53 1.01 -0.59 -4.99 121.20 117.79 1mrl s ILE 150 Ca 0.76 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 60.70 1mrl s ILE 150 Cb -0.37 -1.34 0.11 0.00 0.01 0.00 0.00 42.46 40.88 1mrl s ILE 150 CO 0.48 0.43 1.11 0.00 0.00 0.00 0.00 174.94 176.96 1mrl s ALA 151 N 1.11 1.71 0.34 9.38 0.00 -1.26 -1.25 121.76 131.79 1mrl s ALA 151 Ca -0.04 0.32 -0.29 0.00 0.00 0.00 0.00 51.96 51.96 1mrl s ALA 151 Cb -0.14 -3.33 -0.11 0.00 0.00 0.00 0.00 23.12 19.54 1mrl s ALA 151 CO -0.03 -2.34 1.39 -2.14 0.00 0.00 0.00 175.76 172.64 1mrl s PRO 152 N -4.79 4.25 -1.43 0.00 0.02 -1.26 -3.26 135.00 128.53 1mrl s PRO 152 Ca 0.64 2.37 -0.10 0.00 0.02 0.00 0.00 61.00 63.93 1mrl s PRO 152 Cb -0.20 -3.03 0.03 0.00 0.02 0.00 0.00 34.50 31.32 1mrl s PRO 152 CO 0.57 -0.35 1.08 0.66 -0.33 0.00 0.00 177.00 178.64 1mrl n TYR 153 N 0.80 -2.65 -4.41 6.54 4.02 0.05 -4.91 117.16 116.60 1mrl n TYR 153 Ca 0.01 0.95 -0.30 0.00 -0.01 0.00 0.00 57.90 58.54 1mrl n TYR 153 Cb 0.41 -4.66 -0.11 0.00 -0.02 0.00 0.00 39.34 34.95 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 -6.37 2.01 -0.32 -0.72 -1.94 -1.20 -2.12 119.30 108.63 1mrl s MET 154 Ca 0.59 -1.05 -0.10 0.00 -1.71 0.00 0.00 55.69 53.42 1mrl s MET 154 Cb -0.27 -2.21 -0.01 0.00 2.01 0.00 0.00 34.83 34.35 1mrl s MET 154 CO 0.73 0.51 0.17 -1.17 -0.01 0.00 0.00 175.02 175.26 1mrl s LEU 155 N -1.88 4.23 0.21 -0.03 2.96 -0.84 -1.45 118.68 121.90 1mrl s LEU 155 Ca 0.18 -0.55 0.11 0.00 -0.22 0.00 0.00 54.13 53.65 1mrl s LEU 155 Cb -0.11 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 1mrl s LEU 155 CO 0.09 -0.22 -0.23 0.00 -1.32 0.00 0.00 176.35 174.68 1mrl s ALA 156 N 1.63 2.56 0.10 5.97 0.00 -0.49 0.87 121.76 132.40 1mrl s ALA 156 Ca 0.05 -1.70 -0.26 0.00 0.00 0.00 0.00 51.96 50.05 1mrl s ALA 156 Cb -0.17 -0.30 0.08 0.00 0.00 0.00 0.00 23.12 22.72 1mrl s ALA 156 CO 0.07 0.38 0.93 0.20 0.00 0.00 0.00 175.76 177.33 1mrl s GLY 157 N -2.90 -0.31 0.00 0.00 0.00 -0.83 -0.36 107.32 102.92 1mrl s GLY 157 Ca 0.23 0.41 0.00 0.00 0.00 0.00 0.00 44.72 45.36 1mrl s GLY 157 CO 0.11 0.11 0.00 0.61 0.00 0.00 0.00 173.10 173.93 1mrl n GLY 158 N -0.40 -1.52 3.01 0.20 0.00 -1.26 -0.76 105.19 104.46 1mrl n GLY 158 Ca -0.07 -2.16 -0.05 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.67 -0.43 0.64 1.61 2.47 -1.26 -1.57 114.94 113.73 1mrl s ASN 159 Ca 0.00 -0.46 -0.16 0.00 0.42 0.00 0.00 52.86 52.65 1mrl s ASN 159 Cb 0.00 1.45 -0.01 0.00 -1.45 0.00 0.00 41.25 41.25 1mrl s ASN 159 CO 0.00 -0.29 1.15 -2.84 -3.72 0.00 0.00 177.10 171.40 1mrl s PRO 160 N 2.34 2.78 0.18 0.43 0.02 -1.26 -5.01 135.00 134.48 1mrl s PRO 160 Ca 0.12 1.59 -0.30 0.00 0.02 0.00 0.00 61.00 62.43 1mrl s PRO 160 Cb -0.11 -1.93 -0.08 0.00 0.02 0.00 0.00 34.50 32.41 1mrl s PRO 160 CO -0.21 -1.31 1.18 0.00 -0.33 0.00 0.00 177.00 176.33 1mrl s ALA 161 N -2.02 3.42 0.11 -1.55 0.00 -0.59 -4.93 121.76 116.19 1mrl s ALA 161 Ca 0.72 0.92 0.06 0.00 0.00 0.00 0.00 51.96 53.66 1mrl s ALA 161 Cb -0.25 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 1mrl s ALA 161 CO 0.38 -0.35 -0.14 -0.80 0.00 0.00 0.00 175.76 174.85 1mrl s ASN 162 N 0.15 1.92 0.17 0.00 0.01 0.06 -4.81 114.94 112.44 1mrl s ASN 162 Ca 0.53 -0.76 -0.31 0.00 -0.71 0.00 0.00 52.86 51.61 1mrl s ASN 162 Cb -0.32 -0.06 -0.09 0.00 0.41 0.00 0.00 41.25 41.19 1mrl s ASN 162 CO 0.36 -0.13 1.43 -1.61 -1.51 0.00 0.00 177.10 175.64 1mrl s GLU 163 N -2.42 4.30 -0.27 -0.60 2.02 -1.26 -1.96 118.70 118.51 1mrl s GLU 163 Ca 0.06 2.18 -0.06 0.00 0.02 0.00 0.00 54.97 57.17 1mrl s GLU 163 Cb -0.06 -3.19 -0.15 0.00 0.10 0.00 0.00 34.13 30.83 1mrl s GLU 163 CO 0.03 -0.44 -0.28 -0.89 0.02 0.00 0.00 175.26 173.69 1mrl n ILE 164 N 3.39 1.51 -3.61 -1.63 5.41 0.25 -4.96 119.36 119.73 1mrl n ILE 164 Ca 0.10 -0.48 -0.04 0.00 1.00 0.00 0.00 62.75 63.34 1mrl n ILE 164 Cb 0.41 -1.66 -0.02 0.00 -0.71 0.00 0.00 39.64 37.66 1mrl n ILE 164 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1mrl s LYS 165 N -2.51 0.21 0.03 0.38 0.00 -1.19 -5.01 119.74 111.64 1mrl s LYS 165 Ca -0.37 -0.06 -0.30 0.00 0.00 0.00 0.00 55.97 55.24 1mrl s LYS 165 Cb 0.12 0.10 -0.04 0.00 0.00 0.00 0.00 37.83 38.00 1mrl s LYS 165 CO 0.55 -0.09 1.11 -0.65 0.00 0.00 0.00 175.35 176.27 1mrl s GLN 166 N -2.11 4.48 0.26 1.78 -0.21 -1.26 -1.98 119.66 120.61 1mrl s GLN 166 Ca 0.10 1.62 -0.04 0.00 0.02 0.00 0.00 55.36 57.06 1mrl s GLN 166 Cb -0.01 -3.41 0.31 0.00 1.00 0.00 0.00 33.01 30.90 1mrl s GLN 166 CO -0.04 -0.19 1.83 0.00 -2.12 0.00 0.00 175.29 174.77 1mrl h ARG 167 N 6.84 1.03 0.00 2.91 3.08 -1.79 -3.46 114.38 122.99 1mrl h ARG 167 Ca -0.41 -0.17 -0.27 0.00 0.07 0.00 0.00 59.98 59.20 1mrl h ARG 167 Cb 1.21 -0.18 -0.07 0.00 0.08 0.00 0.00 29.97 31.01 1mrl h ARG 167 CO 0.79 0.84 -0.26 1.19 -1.07 0.00 0.00 179.97 181.46 1mrl n PHE 168 N -4.30 -0.41 -1.94 3.04 3.72 -1.26 -5.15 117.46 111.16 1mrl n PHE 168 Ca 0.06 -1.58 -0.31 0.00 -0.05 0.00 0.00 57.45 55.57 1mrl n PHE 168 Cb 0.17 0.15 0.01 0.00 -0.94 0.00 0.00 39.48 38.87 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 -2.32 6.04 0.21 4.37 1.47 -1.26 -4.88 116.67 120.30 1mrl s ASP 169 Ca 0.22 1.56 -0.09 0.00 1.18 0.00 0.00 52.55 55.42 1mrl s ASP 169 Cb 0.01 -2.49 0.28 0.00 -0.34 0.00 0.00 42.92 40.37 1mrl s ASP 169 CO 0.15 -0.99 1.78 -0.61 0.68 0.00 0.00 175.17 176.18 1mrl h GLN 170 N -0.03 0.57 -0.55 2.11 5.75 -2.00 -1.65 115.11 119.31 1mrl h GLN 170 Ca -0.45 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.00 1mrl h GLN 170 Cb 1.20 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.59 1mrl h GLN 170 CO 0.60 0.38 0.26 0.22 -2.65 0.00 0.00 178.83 177.64 1mrl h ASP 171 N 0.59 0.69 -0.36 -0.69 3.58 -1.99 0.14 116.42 118.38 1mrl h ASP 171 Ca 0.32 -0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.62 1mrl h ASP 171 Cb 0.29 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1mrl h ASP 171 CO -0.24 0.59 -0.07 0.74 -2.88 0.00 0.00 179.24 177.39 1mrl h THR 172 N 0.77 1.27 -0.26 2.25 2.02 -1.71 -1.97 112.91 115.29 1mrl h THR 172 Ca 0.19 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 1mrl h THR 172 Cb 0.08 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1mrl h THR 172 CO -0.03 0.37 0.11 0.40 0.37 0.00 0.00 175.52 176.75 1mrl h ILE 173 N 0.49 1.16 -0.99 3.11 2.04 -0.85 -1.15 117.51 121.33 1mrl h ILE 173 Ca 0.09 -0.49 0.10 0.00 1.00 0.00 0.00 64.86 65.56 1mrl h ILE 173 Cb 0.57 1.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.58 1mrl h ILE 173 CO 0.03 0.17 0.63 0.78 0.00 0.00 0.00 178.15 179.76 1mrl h ASN 174 N 0.28 0.94 -0.10 1.72 2.35 -0.91 -0.04 115.58 119.82 1mrl h ASN 174 Ca 0.09 0.03 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1mrl h ASN 174 Cb 0.16 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1mrl h ASN 174 CO -0.01 0.54 -0.05 1.56 -1.65 0.00 0.00 177.43 177.82 1mrl h GLN 175 N 1.03 0.20 -0.69 0.81 4.20 -1.02 -3.08 115.11 116.57 1mrl h GLN 175 Ca 0.46 -0.09 0.05 0.00 0.06 0.00 0.00 58.65 59.13 1mrl h GLN 175 Cb 0.38 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 1mrl h GLN 175 CO -0.22 0.56 0.40 -0.07 -0.67 0.00 0.00 178.83 178.84 1mrl h LEU 176 N -0.16 0.63 -1.37 1.46 3.38 -0.68 -2.92 115.31 115.64 1mrl h LEU 176 Ca 0.02 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1mrl h LEU 176 Cb 0.50 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1mrl h LEU 176 CO 0.01 0.41 0.43 -0.07 0.09 0.00 0.00 178.44 179.32 1mrl h LEU 177 N 0.76 0.74 -2.97 1.67 3.38 -0.99 -2.24 115.31 115.65 1mrl h LEU 177 Ca 0.30 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1mrl h LEU 177 Cb 0.13 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1mrl h LEU 177 CO -0.16 0.53 0.00 -0.90 0.09 0.00 0.00 178.44 178.01 1mrl n ASP 178 N -4.44 4.58 -0.10 -0.43 5.68 -1.12 -4.17 116.55 116.57 1mrl n ASP 178 Ca 0.07 -2.45 -0.16 0.00 -0.50 0.00 0.00 54.79 51.74 1mrl n ASP 178 Cb 0.04 -0.57 -0.08 0.00 -1.14 0.00 0.00 41.12 39.37 1mrl n ASP 178 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 1mrl n ILE 179 N 1.03 1.08 -3.71 2.12 5.41 -0.88 -5.05 119.36 119.37 1mrl n ILE 179 Ca 0.24 -0.36 -0.28 0.00 1.00 0.00 0.00 62.75 63.36 1mrl n ILE 179 Cb 0.87 -1.41 0.02 0.00 -0.71 0.00 0.00 39.64 38.41 1mrl n ILE 179 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1mrl n LYS 180 N -3.39 -1.14 0.19 0.38 5.02 -1.00 -4.82 118.16 113.39 1mrl n LYS 180 Ca -0.36 0.63 0.17 0.00 -2.02 0.00 0.00 58.31 56.73 1mrl n LYS 180 Cb 0.82 -3.43 0.79 0.00 -0.02 0.00 0.00 35.03 33.20 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 -1.17 0.00 0.00 2.13 5.08 -1.96 -0.75 115.95 119.28 1mrl h TRP 181 Ca -0.57 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.40 1mrl h TRP 181 Cb 1.33 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.49 1mrl h TRP 181 CO 0.29 0.00 0.00 0.11 -1.28 0.00 0.00 178.44 177.56 1mrl h TRP 182 N 0.00 0.00 -0.01 0.12 0.09 -1.99 -1.80 115.95 112.36 1mrl h TRP 182 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.08 1mrl h TRP 182 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.74 1mrl h TRP 182 CO 0.00 0.00 -0.32 0.09 0.09 0.00 0.00 178.44 178.30 1mrl n ASN 183 N -2.70 1.43 -4.78 0.11 3.02 -0.29 -4.94 115.26 107.11 1mrl n ASN 183 Ca -0.01 -1.15 -0.34 0.00 -0.03 0.00 0.00 54.58 53.05 1mrl n ASN 183 Cb 0.13 0.24 0.02 0.00 -0.61 0.00 0.00 39.78 39.56 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 -2.46 2.75 0.35 3.10 0.51 -0.68 -4.97 118.94 117.54 1mrl s TRP 184 Ca 0.23 1.54 -0.28 0.00 -2.12 0.00 0.00 56.10 55.47 1mrl s TRP 184 Cb 0.19 -3.16 -0.11 0.00 -0.81 0.00 0.00 33.47 29.57 1mrl s TRP 184 CO 0.53 -1.46 1.45 -2.30 -0.51 0.00 0.00 176.95 174.66 1mrl n PRO 185 N -1.87 2.54 -0.32 4.98 -0.02 -1.26 -4.77 135.00 134.28 1mrl n PRO 185 Ca 0.10 0.89 0.27 0.00 -2.02 0.00 0.00 63.50 62.74 1mrl n PRO 185 Cb 0.52 -2.59 0.59 0.00 -0.02 0.00 0.00 33.50 31.99 1mrl n PRO 185 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1mrl h ILE 186 N 2.91 0.48 0.00 4.25 6.09 -1.96 0.13 117.51 129.40 1mrl h ILE 186 Ca -0.49 -0.09 -0.11 0.00 -1.37 0.00 0.00 64.86 62.81 1mrl h ILE 186 Cb 1.25 0.20 -0.02 0.00 0.47 0.00 0.00 36.82 38.72 1mrl h ILE 186 CO 0.66 0.05 -0.50 -2.24 -3.07 0.00 0.00 178.15 173.04 1mrl h ASP 187 N 0.26 0.00 0.02 2.19 2.03 -1.95 -2.15 116.42 116.81 1mrl h ASP 187 Ca 0.59 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 56.63 1mrl h ASP 187 Cb 1.75 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 40.27 1mrl h ASP 187 CO -0.21 0.50 -1.01 0.40 -1.03 0.00 0.00 179.24 177.90 1mrl h ILE 188 N 0.00 1.29 -0.15 4.15 1.08 -1.12 -3.26 117.51 119.50 1mrl h ILE 188 Ca -0.01 -2.24 0.01 0.00 -0.39 0.00 0.00 64.86 62.24 1mrl h ILE 188 Cb 1.03 2.34 -0.01 0.00 -3.07 0.00 0.00 36.82 37.10 1mrl h ILE 188 CO 0.07 0.69 0.06 0.40 -0.69 0.00 0.00 178.15 178.67 1mrl h ILE 189 N 0.40 0.97 -0.97 -0.67 2.04 -1.26 -2.75 117.51 115.27 1mrl h ILE 189 Ca -0.12 -0.05 0.22 0.00 1.00 0.00 0.00 64.86 65.92 1mrl h ILE 189 Cb 1.66 0.83 -0.09 0.00 -0.74 0.00 0.00 36.82 38.48 1mrl h ILE 189 CO 0.20 0.02 0.63 0.78 0.00 0.00 0.00 178.15 179.78 1mrl h ASN 190 N 0.13 0.53 -0.24 1.72 2.35 -1.45 0.31 115.58 118.94 1mrl h ASN 190 Ca 0.06 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1mrl h ASN 190 Cb 0.03 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1mrl h ASN 190 CO -0.06 0.17 0.00 -0.62 -1.65 0.00 0.00 177.43 175.27 1mrl n GLU 191 N -4.61 1.60 0.00 0.81 4.71 -1.04 -3.71 120.64 118.39 1mrl n GLU 191 Ca 0.22 -0.87 0.00 0.00 -0.01 0.00 0.00 57.16 56.51 1mrl n GLU 191 Cb 0.72 -1.22 0.00 0.00 -1.01 0.00 0.00 31.44 29.93 1mrl n GLU 191 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1mrl n ASN 192 N 0.20 0.10 -0.23 1.62 3.02 0.93 -4.91 115.26 115.99 1mrl n ASN 192 Ca 0.08 -1.02 0.04 0.00 -0.03 0.00 0.00 54.58 53.65 1mrl n ASN 192 Cb 0.22 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.54 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 1.41 0.50 -0.26 2.41 2.04 -1.16 0.18 117.51 122.62 1mrl h ILE 193 Ca 0.00 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 1mrl h ILE 193 Cb 0.59 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1mrl h ILE 193 CO 0.00 0.04 -0.08 0.44 0.00 0.00 0.00 178.15 178.55 1mrl h ASP 194 N 0.20 0.39 1.07 1.72 3.32 -1.88 -0.84 116.42 120.40 1mrl h ASP 194 Ca 0.38 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 1mrl h ASP 194 Cb 0.63 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1mrl h ASP 194 CO -0.52 0.52 -0.45 0.11 -1.72 0.00 0.00 179.24 177.18 1mrl h LYS 195 N 0.40 0.00 0.05 3.56 6.56 -1.15 -3.01 116.57 122.98 1mrl h LYS 195 Ca 0.08 0.00 -0.23 0.00 -1.06 0.00 0.00 60.65 59.44 1mrl h LYS 195 Cb 0.39 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.03 1mrl h LYS 195 CO 0.02 0.45 -1.07 0.82 -2.06 0.00 0.00 179.45 177.61 1mrl h ILE 196 N 0.00 1.61 0.00 1.86 2.04 -0.20 -1.69 117.51 121.13 1mrl h ILE 196 Ca -0.00 -3.19 -0.02 0.00 1.00 0.00 0.00 64.86 62.65 1mrl h ILE 196 Cb 1.11 2.83 -0.00 0.00 -0.74 0.00 0.00 36.82 40.02 1mrl h ILE 196 CO 0.06 0.92 -0.08 -0.07 0.00 0.00 0.00 178.15 178.98 1mrl h LEU 197 N 0.04 0.00 -2.18 1.44 3.38 -1.06 -3.24 115.31 113.69 1mrl h LEU 197 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1mrl h LEU 197 Cb 1.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1mrl h LEU 197 CO 0.16 0.08 0.00 -0.90 0.09 0.00 0.00 178.44 177.87 1mrl n ASP 198 N -3.17 1.98 -0.26 -0.43 3.85 -1.15 -5.00 116.55 112.36 1mrl n ASP 198 Ca 0.01 -1.65 -0.03 0.00 -0.71 0.00 0.00 54.79 52.41 1mrl n ASP 198 Cb 0.41 -0.06 -0.01 0.00 -1.35 0.00 0.00 41.12 40.11 1mrl n ASP 198 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1mrl n ASN 199 N 0.10 -3.94 -0.19 -1.12 4.13 -1.08 -4.90 115.26 108.24 1mrl n ASN 199 Ca 0.04 0.09 0.14 0.00 1.68 0.00 0.00 54.58 56.53 1mrl n ASN 199 Cb 0.24 -1.75 0.64 0.00 -1.54 0.00 0.00 39.78 37.37 1mrl n ASN 199 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1mrl n SER 200 N 0.23 0.67 0.18 6.41 3.41 -0.66 -3.58 113.62 120.27 1mrl n SER 200 Ca -0.03 -0.91 0.13 0.00 -0.26 0.00 0.00 58.87 57.80 1mrl n SER 200 Cb 0.20 -0.03 0.60 0.00 -0.26 0.00 0.00 64.21 64.73 1mrl n SER 200 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1mrl h ILE 201 N 0.94 0.00 0.00 -1.33 3.07 -1.84 0.15 117.51 118.49 1mrl h ILE 201 Ca 0.00 -0.20 0.00 0.00 1.55 0.00 0.00 64.86 66.21 1mrl h ILE 201 Cb 0.33 0.93 0.00 0.00 -0.27 0.00 0.00 36.82 37.81 1mrl h ILE 201 CO 0.00 0.00 0.00 2.30 -1.05 0.00 0.00 178.15 179.40 1mrl n ILE 202 N -2.44 0.42 -2.04 0.16 -5.35 -1.24 -3.28 119.36 105.60 1mrl n ILE 202 Ca 0.01 0.10 -0.35 0.00 -0.27 0.00 0.00 62.75 62.24 1mrl n ILE 202 Cb 0.18 -0.76 0.03 0.00 -1.74 0.00 0.00 39.64 37.35 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 -1.33 3.00 0.00 6.28 1.74 0.04 -5.12 116.66 121.27 1mrl n ARG 203 Ca 0.09 -3.84 0.00 0.00 -0.77 0.00 0.00 57.85 53.33 1mrl n ARG 203 Cb 0.18 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 29.35 1mrl n ARG 203 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50