#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jmk n GLY 3 N 0.00 1.83 0.48 -0.02 0.00 -1.26 -2.78 105.19 103.44 1jmk n GLY 3 Ca 0.00 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.69 1jmk n GLY 3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jmk n SER 4 N 7.55 1.47 -3.18 1.61 7.64 -1.26 -4.65 113.62 122.80 1jmk n SER 4 Ca 0.00 -1.60 0.02 0.00 1.01 0.00 0.00 58.87 58.30 1jmk n SER 4 Cb 0.00 -0.06 -0.01 0.00 -1.01 0.00 0.00 64.21 63.13 1jmk n SER 4 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1jmk s ASP 5 N -1.74 -1.39 0.57 6.43 -1.08 -1.12 -5.02 116.67 113.32 1jmk s ASP 5 Ca 0.35 -0.05 0.34 0.00 -0.52 0.00 0.00 52.55 52.67 1jmk s ASP 5 Cb 0.19 1.92 1.66 0.00 -1.46 0.00 0.00 42.92 45.23 1jmk s ASP 5 CO 0.29 -0.28 2.11 1.23 0.52 0.00 0.00 175.17 179.04 1jmk h GLY 6 N 7.84 0.00 -2.52 2.66 0.00 -1.83 -2.80 103.07 106.42 1jmk h GLY 6 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 1jmk h GLY 6 CO 0.15 0.00 0.10 1.04 0.00 0.00 0.00 176.54 177.84 1jmk n LEU 7 N -3.30 4.79 -0.11 3.11 4.77 -1.26 -4.75 117.00 120.25 1jmk n LEU 7 Ca -0.01 -3.67 0.07 0.00 -0.03 0.00 0.00 56.01 52.37 1jmk n LEU 7 Cb 0.22 -0.68 0.41 0.00 -2.33 0.00 0.00 43.42 41.04 1jmk n LEU 7 CO 0.27 1.16 1.20 0.06 -1.33 0.00 0.00 177.39 178.74 1jmk h GLN 8 N 1.13 0.59 -0.61 3.23 3.07 -1.84 -2.69 115.11 117.99 1jmk h GLN 8 Ca 0.30 -0.04 -0.17 0.00 0.09 0.00 0.00 58.65 58.84 1jmk h GLN 8 Cb 1.95 -0.13 -0.10 0.00 0.08 0.00 0.00 27.48 29.28 1jmk h GLN 8 CO 0.55 0.39 0.18 -0.25 0.09 0.00 0.00 178.83 179.79 1jmk n ASP 9 N -4.47 4.47 -3.94 0.06 8.00 -1.26 -4.95 116.55 114.44 1jmk n ASP 9 Ca 0.09 -3.24 -0.10 0.00 0.71 0.00 0.00 54.79 52.25 1jmk n ASP 9 Cb 0.23 -0.70 -0.11 0.00 -0.02 0.00 0.00 41.12 40.51 1jmk n ASP 9 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1jmk s VAL 10 N -2.99 0.09 -0.11 2.53 1.01 -1.02 -1.10 120.40 118.81 1jmk s VAL 10 Ca 0.52 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1jmk s VAL 10 Cb 0.42 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.58 1jmk s VAL 10 CO 0.11 -0.39 -0.10 -0.89 0.00 0.00 0.00 175.10 173.83 1jmk s THR 11 N -1.17 1.18 -0.13 3.92 2.01 0.19 -4.95 115.64 116.68 1jmk s THR 11 Ca -0.13 -0.41 -0.15 0.00 0.31 0.00 0.00 61.69 61.32 1jmk s THR 11 Cb -0.08 -1.14 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 1jmk s THR 11 CO -0.00 0.39 0.34 -0.63 -0.69 0.00 0.00 174.62 174.02 1jmk s ILE 12 N 1.41 5.26 0.10 1.82 1.01 -1.26 -1.06 121.20 128.48 1jmk s ILE 12 Ca 0.00 0.65 0.08 0.00 0.00 0.00 0.00 60.65 61.38 1jmk s ILE 12 Cb -0.13 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 1jmk s ILE 12 CO -0.06 0.41 -0.21 -0.04 0.00 0.00 0.00 174.94 175.04 1jmk s MET 13 N 0.27 1.15 -1.26 2.79 -1.94 0.27 -4.73 119.30 115.86 1jmk s MET 13 Ca 0.19 -1.15 -0.01 0.00 -1.71 0.00 0.00 55.69 53.00 1jmk s MET 13 Cb -0.14 -1.42 -0.00 0.00 2.01 0.00 0.00 34.83 35.28 1jmk s MET 13 CO 0.06 0.33 0.79 0.09 -0.01 0.00 0.00 175.02 176.28 1jmk n ASN 14 N 1.14 -1.90 0.33 3.03 5.03 -1.26 -1.30 115.26 120.32 1jmk n ASN 14 Ca -0.19 -0.77 0.21 0.00 0.87 0.00 0.00 54.58 54.69 1jmk n ASN 14 Cb 0.53 -4.35 1.11 0.00 -1.02 0.00 0.00 39.78 36.05 1jmk n ASN 14 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 1jmk h GLN 15 N -1.83 0.00 -0.07 3.52 4.20 -1.92 -1.97 115.11 117.05 1jmk h GLN 15 Ca -0.61 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.10 1jmk h GLN 15 Cb 1.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.13 1jmk h GLN 15 CO 0.54 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 178.30 1jmk n ASP 16 N -2.98 1.56 -4.90 1.46 5.75 -1.26 -4.90 116.55 111.28 1jmk n ASP 16 Ca -0.03 -1.57 -0.28 0.00 -0.01 0.00 0.00 54.79 52.90 1jmk n ASP 16 Cb 0.12 -0.04 -0.01 0.00 -1.03 0.00 0.00 41.12 40.17 1jmk n ASP 16 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1jmk s GLN 17 N -1.93 3.60 -0.23 0.11 -1.52 -0.74 -5.04 119.66 113.91 1jmk s GLN 17 Ca 0.36 0.28 -0.08 0.00 -1.95 0.00 0.00 55.36 53.98 1jmk s GLN 17 Cb 0.20 -2.37 -0.18 0.00 -0.22 0.00 0.00 33.01 30.44 1jmk s GLN 17 CO 0.31 -0.17 -0.08 0.39 -0.25 0.00 0.00 175.29 175.49 1jmk n GLU 18 N -2.02 0.64 -2.39 2.91 1.02 -1.26 -4.68 120.64 114.86 1jmk n GLU 18 Ca 0.01 0.27 -0.42 0.00 -0.02 0.00 0.00 57.16 56.99 1jmk n GLU 18 Cb 0.55 -1.58 -0.03 0.00 -0.02 0.00 0.00 31.44 30.36 1jmk n GLU 18 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1jmk s GLN 19 N -2.50 4.32 -0.05 3.49 -0.21 -1.26 -4.86 119.66 118.58 1jmk s GLN 19 Ca -0.33 1.74 -0.03 0.00 0.02 0.00 0.00 55.36 56.77 1jmk s GLN 19 Cb 0.10 -3.60 -0.04 0.00 1.00 0.00 0.00 33.01 30.47 1jmk s GLN 19 CO 0.60 -0.52 0.10 0.42 -2.12 0.00 0.00 175.29 173.77 1jmk s ILE 20 N 2.48 4.94 -0.12 1.08 1.01 -1.26 0.29 121.20 129.62 1jmk s ILE 20 Ca 0.58 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 61.05 1jmk s ILE 20 Cb -0.26 -3.21 0.02 0.00 0.01 0.00 0.00 42.46 39.02 1jmk s ILE 20 CO 0.22 0.46 -0.16 -0.63 0.00 0.00 0.00 174.94 174.83 1jmk s ILE 21 N -1.12 1.56 -0.38 2.92 1.01 -0.37 -4.48 121.20 120.34 1jmk s ILE 21 Ca 0.20 -0.67 -0.18 0.00 0.00 0.00 0.00 60.65 60.00 1jmk s ILE 21 Cb -0.12 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 40.93 1jmk s ILE 21 CO 0.10 0.45 0.48 -0.36 0.00 0.00 0.00 174.94 175.61 1jmk s PHE 22 N 1.06 3.17 -0.15 3.97 0.40 -0.49 -1.29 117.98 124.64 1jmk s PHE 22 Ca -0.05 -0.07 -0.04 0.00 -0.60 0.00 0.00 56.93 56.17 1jmk s PHE 22 Cb -0.15 -2.92 -0.03 0.00 0.51 0.00 0.00 43.02 40.43 1jmk s PHE 22 CO -0.03 -0.61 -0.01 0.00 0.70 0.00 0.00 175.22 175.26 1jmk s ALA 23 N 2.29 3.13 -0.12 5.36 0.00 -0.47 -0.52 121.76 131.43 1jmk s ALA 23 Ca 0.16 -0.80 -0.10 0.00 0.00 0.00 0.00 51.96 51.21 1jmk s ALA 23 Cb -0.16 -1.61 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 1jmk s ALA 23 CO 0.14 0.27 0.21 -0.06 0.00 0.00 0.00 175.76 176.32 1jmk s PHE 24 N 0.16 3.57 0.84 0.00 0.40 0.50 -0.89 117.98 122.55 1jmk s PHE 24 Ca 0.00 0.59 -0.11 0.00 -0.60 0.00 0.00 56.93 56.81 1jmk s PHE 24 Cb -0.13 -2.11 0.10 0.00 0.51 0.00 0.00 43.02 41.39 1jmk s PHE 24 CO 0.02 0.56 1.10 -1.25 0.70 0.00 0.00 175.22 176.36 1jmk s PRO 25 N -0.55 1.70 1.17 0.24 0.04 -1.25 -3.76 135.00 132.60 1jmk s PRO 25 Ca 0.16 1.21 -0.19 0.00 0.04 0.00 0.00 61.00 62.22 1jmk s PRO 25 Cb -0.13 -1.83 0.28 0.00 0.04 0.00 0.00 34.50 32.86 1jmk s PRO 25 CO 0.05 -2.05 1.15 -1.25 0.04 0.00 0.00 177.00 174.94 1jmk s PRO 26 N -4.83 -0.99 0.57 0.56 0.04 -1.25 -1.94 135.00 127.16 1jmk s PRO 26 Ca 0.63 -0.17 0.27 0.00 0.04 0.00 0.00 61.00 61.78 1jmk s PRO 26 Cb -0.19 -1.63 1.51 0.00 0.04 0.00 0.00 34.50 34.23 1jmk s PRO 26 CO 0.57 -3.54 2.01 -0.24 0.04 0.00 0.00 177.00 175.84 1jmk h VAL 27 N -2.46 0.54 0.00 -0.36 3.04 -1.92 0.36 116.25 115.46 1jmk h VAL 27 Ca -0.44 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.25 1jmk h VAL 27 Cb 1.28 0.75 -0.00 0.00 -2.01 0.00 0.00 31.29 31.30 1jmk h VAL 27 CO 0.33 0.00 -0.00 -0.07 -1.01 0.00 0.00 177.57 176.82 1jmk h LEU 28 N 0.00 0.00 0.00 3.16 3.38 -1.90 -3.41 115.31 116.54 1jmk h LEU 28 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1jmk h LEU 28 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1jmk h LEU 28 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1jmk n GLY 29 N -1.34 0.70 3.29 0.83 0.00 0.12 -3.80 105.19 104.99 1jmk n GLY 29 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1jmk n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jmk s TYR 30 N -2.54 2.82 0.41 1.61 1.51 -1.26 -0.80 117.35 119.10 1jmk s TYR 30 Ca 0.00 -0.95 0.29 0.00 -1.01 0.00 0.00 57.07 55.40 1jmk s TYR 30 Cb 0.00 -1.92 1.51 0.00 -0.11 0.00 0.00 41.96 41.44 1jmk s TYR 30 CO 0.00 -0.43 2.09 0.78 -1.11 0.00 0.00 175.55 176.87 1jmk h GLY 31 N 7.32 0.00 1.78 0.71 0.00 -1.74 -2.66 103.07 108.48 1jmk h GLY 31 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 1jmk h GLY 31 CO 0.58 0.00 0.11 -2.00 0.00 0.00 0.00 176.54 175.22 1jmk h LEU 32 N 0.00 0.00 -0.35 3.11 5.85 -1.87 -0.99 115.31 121.06 1jmk h LEU 32 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1jmk h LEU 32 Cb 0.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1jmk h LEU 32 CO 0.01 0.00 0.00 0.23 -0.34 0.00 0.00 178.44 178.34 1jmk n MET 33 N -3.09 0.05 -0.20 1.25 2.81 -1.00 -1.54 117.12 115.40 1jmk n MET 33 Ca -0.02 0.44 0.10 0.00 -1.81 0.00 0.00 57.70 56.41 1jmk n MET 33 Cb 0.17 -1.63 0.27 0.00 -0.71 0.00 0.00 33.22 31.32 1jmk n MET 33 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1jmk n TYR 34 N -1.73 0.53 -0.15 2.03 0.53 -0.38 -4.45 117.16 113.53 1jmk n TYR 34 Ca 0.01 -0.26 -0.04 0.00 -1.02 0.00 0.00 57.90 56.59 1jmk n TYR 34 Cb 0.09 0.00 0.05 0.00 -1.03 0.00 0.00 39.34 38.45 1jmk n TYR 34 CO 0.00 0.00 0.00 0.37 -1.02 0.00 0.00 176.86 176.21 1jmk h GLN 35 N 3.25 0.36 -0.58 -0.72 5.75 -1.48 -0.62 115.11 121.08 1jmk h GLN 35 Ca 0.00 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1jmk h GLN 35 Cb 0.73 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.17 1jmk h GLN 35 CO 0.00 0.24 0.31 -0.91 -2.65 0.00 0.00 178.83 175.82 1jmk h ASN 36 N 0.37 0.73 -0.94 -0.69 -0.26 -1.84 -2.47 115.58 110.48 1jmk h ASN 36 Ca 0.22 -0.10 0.05 0.00 -0.56 0.00 0.00 56.30 55.91 1jmk h ASN 36 Cb 0.21 -0.19 -0.06 0.00 -1.06 0.00 0.00 38.32 37.22 1jmk h ASN 36 CO -0.21 0.62 0.61 0.25 -1.06 0.00 0.00 177.43 177.64 1jmk h LEU 37 N 0.78 0.99 -1.62 1.61 5.85 -1.66 -2.26 115.31 119.01 1jmk h LEU 37 Ca 0.20 0.00 0.09 0.00 0.84 0.00 0.00 57.88 59.02 1jmk h LEU 37 Cb 0.06 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1jmk h LEU 37 CO -0.03 0.66 0.40 0.77 -0.34 0.00 0.00 178.44 179.90 1jmk h SER 38 N 1.15 0.39 0.98 1.25 4.64 -0.65 0.86 113.55 122.17 1jmk h SER 38 Ca 0.39 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1jmk h SER 38 Cb 0.08 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1jmk h SER 38 CO -0.14 0.24 0.00 0.77 -0.87 0.00 0.00 176.83 176.82 1jmk h SER 39 N 0.43 0.00 0.12 4.97 4.64 -1.35 -2.41 113.55 119.96 1jmk h SER 39 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1jmk h SER 39 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1jmk h SER 39 CO -0.08 0.00 -0.32 0.54 -0.87 0.00 0.00 176.83 176.10 1jmk n ARG 40 N -2.78 1.06 -2.76 4.77 3.00 0.27 -4.21 116.66 116.01 1jmk n ARG 40 Ca 0.01 -0.75 -0.22 0.00 -0.01 0.00 0.00 57.85 56.89 1jmk n ARG 40 Cb 0.29 -1.48 -0.01 0.00 0.00 0.00 0.00 32.46 31.26 1jmk n ARG 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1jmk n LEU 41 N -0.32 3.31 0.19 0.55 4.77 -0.91 -4.93 117.00 119.67 1jmk n LEU 41 Ca 0.11 -5.00 0.18 0.00 -0.03 0.00 0.00 56.01 51.27 1jmk n LEU 41 Cb 0.40 -0.10 0.74 0.00 -2.33 0.00 0.00 43.42 42.13 1jmk n LEU 41 CO 0.26 2.14 1.16 1.55 -1.33 0.00 0.00 177.39 181.17 1jmk h PRO 42 N 2.85 0.00 -0.13 3.23 0.13 -1.72 -1.53 132.00 134.82 1jmk h PRO 42 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1jmk h PRO 42 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1jmk h PRO 42 CO 0.71 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.35 1jmk n SER 43 N -3.32 1.93 -4.27 1.44 3.41 -1.26 -4.88 113.62 106.67 1jmk n SER 43 Ca 0.04 -1.70 -0.29 0.00 -0.26 0.00 0.00 58.87 56.66 1jmk n SER 43 Cb 0.56 -0.08 -0.15 0.00 -0.26 0.00 0.00 64.21 64.28 1jmk n SER 43 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1jmk s TYR 44 N -1.84 2.08 -0.25 7.33 1.51 -0.58 -4.38 117.35 121.22 1jmk s TYR 44 Ca 0.34 -0.39 -0.16 0.00 -1.01 0.00 0.00 57.07 55.85 1jmk s TYR 44 Cb 0.19 -1.31 -0.03 0.00 -0.11 0.00 0.00 41.96 40.70 1jmk s TYR 44 CO 0.29 0.01 0.44 0.21 -1.11 0.00 0.00 175.55 175.39 1jmk s LYS 45 N -0.74 4.08 -0.24 -0.62 2.20 0.14 -4.68 119.74 119.88 1jmk s LYS 45 Ca 0.09 0.20 -0.13 0.00 -0.36 0.00 0.00 55.97 55.78 1jmk s LYS 45 Cb -0.09 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 1jmk s LYS 45 CO -0.00 -0.25 0.26 -0.51 -0.36 0.00 0.00 175.35 174.49 1jmk s LEU 46 N 1.99 4.10 -0.63 5.43 1.43 -0.42 -1.24 118.68 129.33 1jmk s LEU 46 Ca 0.19 0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 53.42 1jmk s LEU 46 Cb -0.15 -2.27 0.16 0.00 0.03 0.00 0.00 46.19 43.96 1jmk s LEU 46 CO 0.09 -0.03 0.52 0.00 0.23 0.00 0.00 176.35 177.17 1jmk s ALA 48 N 0.63 3.45 0.52 0.00 0.00 -0.22 -1.36 121.76 124.77 1jmk s ALA 48 Ca 0.12 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 1jmk s ALA 48 Cb -0.20 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 1jmk s ALA 48 CO -0.04 -1.38 0.91 -0.06 0.00 0.00 0.00 175.76 175.19 1jmk s PHE 49 N 2.65 3.54 0.34 0.00 0.08 -0.07 -0.64 117.98 123.87 1jmk s PHE 49 Ca 0.23 1.17 0.07 0.00 0.12 0.00 0.00 56.93 58.51 1jmk s PHE 49 Cb -0.15 -2.58 -0.02 0.00 -0.57 0.00 0.00 43.02 39.71 1jmk s PHE 49 CO 0.15 -0.39 0.38 -0.51 -0.10 0.00 0.00 175.22 174.74 1jmk s ASP 50 N -3.68 5.59 -0.09 1.36 1.01 -0.26 -2.56 116.67 118.05 1jmk s ASP 50 Ca 0.53 -0.36 -0.30 0.00 0.71 0.00 0.00 52.55 53.13 1jmk s ASP 50 Cb -0.10 -1.08 -0.02 0.00 1.01 0.00 0.00 42.92 42.72 1jmk s ASP 50 CO 0.42 -0.40 1.16 0.12 0.21 0.00 0.00 175.17 176.68 1jmk s PHE 51 N -2.25 3.21 -0.31 4.23 5.36 0.02 -4.91 117.98 123.33 1jmk s PHE 51 Ca 0.43 1.27 -0.21 0.00 -0.96 0.00 0.00 56.93 57.46 1jmk s PHE 51 Cb -0.07 -3.38 -0.00 0.00 -0.34 0.00 0.00 43.02 39.22 1jmk s PHE 51 CO 0.29 -1.11 0.69 0.42 -1.46 0.00 0.00 175.22 174.04 1jmk s ILE 52 N 2.42 4.87 0.09 3.12 1.01 -1.26 -4.95 121.20 126.50 1jmk s ILE 52 Ca 0.54 0.94 0.27 0.00 0.00 0.00 0.00 60.65 62.40 1jmk s ILE 52 Cb -0.22 -4.07 0.30 0.00 0.01 0.00 0.00 42.46 38.47 1jmk s ILE 52 CO 0.19 -0.21 1.87 -0.33 0.00 0.00 0.00 174.94 176.46 1jmk h GLU 53 N 8.21 0.00 -7.18 2.79 5.08 -1.97 -3.44 114.58 118.07 1jmk h GLU 53 Ca -0.26 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.59 1jmk h GLU 53 Cb 1.11 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.47 1jmk h GLU 53 CO 0.84 0.13 0.39 -1.21 -1.00 0.00 0.00 179.01 178.16 1jmk s GLU 54 N -3.63 2.68 0.51 2.33 8.01 -1.26 -4.92 118.70 122.41 1jmk s GLU 54 Ca 0.01 1.53 0.34 0.00 0.01 0.00 0.00 54.97 56.86 1jmk s GLU 54 Cb 0.09 -1.92 1.56 0.00 -4.31 0.00 0.00 34.13 29.55 1jmk s GLU 54 CO 0.60 -1.37 2.01 0.93 0.01 0.00 0.00 175.26 177.44 1jmk h GLU 55 N 0.09 0.00 -0.88 1.61 4.39 -2.06 -2.55 114.58 115.18 1jmk h GLU 55 Ca -0.47 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 58.92 1jmk h GLU 55 Cb 1.26 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 29.73 1jmk h GLU 55 CO 0.53 0.00 0.39 -0.40 -1.16 0.00 0.00 179.01 178.37 1jmk n ASP 56 N -2.86 4.15 -0.35 1.42 3.85 -1.26 -4.62 116.55 116.88 1jmk n ASP 56 Ca -0.00 -3.22 0.10 0.00 -0.71 0.00 0.00 54.79 50.96 1jmk n ASP 56 Cb 0.21 -0.76 0.29 0.00 -1.35 0.00 0.00 41.12 39.51 1jmk n ASP 56 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.20 176.27 1jmk h ARG 57 N 1.73 0.84 -0.73 0.11 0.11 -1.74 -1.84 114.38 112.85 1jmk h ARG 57 Ca 0.38 -0.05 -0.04 0.00 0.10 0.00 0.00 59.98 60.37 1jmk h ARG 57 Cb 2.38 -0.19 -0.03 0.00 1.11 0.00 0.00 29.97 33.24 1jmk h ARG 57 CO 0.80 0.55 0.31 -0.07 0.10 0.00 0.00 179.97 181.67 1jmk h LEU 58 N 0.86 0.98 -0.62 0.08 3.38 -1.88 0.37 115.31 118.48 1jmk h LEU 58 Ca 0.54 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 58.24 1jmk h LEU 58 Cb 0.72 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1jmk h LEU 58 CO -0.32 0.86 -0.38 0.44 0.09 0.00 0.00 178.44 179.13 1jmk h ASP 59 N 1.05 0.69 -0.53 -0.43 5.19 -1.72 -1.14 116.42 119.53 1jmk h ASP 59 Ca 0.25 -0.30 -0.08 0.00 -0.62 0.00 0.00 57.03 56.27 1jmk h ASP 59 Cb 0.17 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 1jmk h ASP 59 CO -0.02 1.00 0.01 0.03 -3.12 0.00 0.00 179.24 177.14 1jmk h ARG 60 N 0.54 0.93 -0.47 3.56 3.08 -0.89 -0.23 114.38 120.90 1jmk h ARG 60 Ca 0.05 -0.29 -0.06 0.00 0.07 0.00 0.00 59.98 59.75 1jmk h ARG 60 Cb 0.90 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1jmk h ARG 60 CO 0.08 0.94 0.06 1.88 -1.07 0.00 0.00 179.97 181.87 1jmk h TYR 61 N 0.80 0.84 -0.66 3.04 0.05 -0.81 -1.19 116.97 119.05 1jmk h TYR 61 Ca 0.15 -0.12 0.02 0.00 0.05 0.00 0.00 58.73 58.83 1jmk h TYR 61 Cb 0.52 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 37.99 1jmk h TYR 61 CO 0.04 0.79 0.42 0.00 -1.05 0.00 0.00 178.16 178.35 1jmk h ALA 62 N 0.95 0.85 -0.55 3.88 0.00 -0.95 -0.59 119.26 122.84 1jmk h ALA 62 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1jmk h ALA 62 Cb 0.41 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1jmk h ALA 62 CO 0.01 0.19 0.30 -0.44 0.00 0.00 0.00 179.25 179.31 1jmk h ASP 63 N 0.82 0.70 -0.51 0.00 5.19 -0.77 -1.16 116.42 120.70 1jmk h ASP 63 Ca 0.26 -0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 56.52 1jmk h ASP 63 Cb -0.01 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.30 1jmk h ASP 63 CO -0.09 0.60 0.13 -0.07 -3.12 0.00 0.00 179.24 176.69 1jmk h LEU 64 N 0.74 0.76 -0.32 1.55 3.38 -0.76 -1.74 115.31 118.92 1jmk h LEU 64 Ca 0.19 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1jmk h LEU 64 Cb 0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1jmk h LEU 64 CO -0.03 0.79 0.02 0.40 0.09 0.00 0.00 178.44 179.71 1jmk h ILE 65 N 0.70 1.25 -0.42 1.22 2.04 -0.96 0.14 117.51 121.48 1jmk h ILE 65 Ca 0.16 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 65.14 1jmk h ILE 65 Cb 0.32 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1jmk h ILE 65 CO 0.00 0.30 0.28 1.56 0.00 0.00 0.00 178.15 180.29 1jmk h GLN 66 N 0.36 0.47 -0.05 2.37 1.08 -1.14 0.31 115.11 118.50 1jmk h GLN 66 Ca 0.09 -0.03 -0.23 0.00 -1.45 0.00 0.00 58.65 57.04 1jmk h GLN 66 Cb 0.41 -0.11 0.02 0.00 -0.05 0.00 0.00 27.48 27.75 1jmk h GLN 66 CO 0.01 0.31 -0.85 -0.22 -0.95 0.00 0.00 178.83 177.13 1jmk h LYS 67 N 0.48 0.66 0.00 1.46 3.64 -0.79 -2.55 116.57 119.48 1jmk h LYS 67 Ca 0.17 -0.65 -0.14 0.00 -1.27 0.00 0.00 60.65 58.76 1jmk h LYS 67 Cb 0.07 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1jmk h LYS 67 CO -0.04 1.25 -0.65 -0.07 -2.27 0.00 0.00 179.45 177.67 1jmk h LEU 68 N 0.32 0.00 -5.74 5.20 3.38 -0.09 -3.40 115.31 114.98 1jmk h LEU 68 Ca -0.09 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.54 1jmk h LEU 68 Cb 1.51 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.99 1jmk h LEU 68 CO 0.17 0.65 -0.70 -1.58 0.09 0.00 0.00 178.44 177.07 1jmk s GLN 69 N -3.04 0.94 0.40 1.13 0.74 0.10 -5.03 119.66 114.91 1jmk s GLN 69 Ca 0.02 -1.40 0.12 0.00 0.05 0.00 0.00 55.36 54.15 1jmk s GLN 69 Cb 0.09 -0.65 0.94 0.00 1.10 0.00 0.00 33.01 34.49 1jmk s GLN 69 CO 0.76 -1.33 1.94 -1.35 -0.55 0.00 0.00 175.29 174.76 1jmk h PRO 70 N 5.60 0.52 -4.92 1.67 0.11 -1.63 -3.41 132.00 129.94 1jmk h PRO 70 Ca 0.14 -0.03 -0.35 0.00 0.11 0.00 0.00 66.00 65.87 1jmk h PRO 70 Cb 1.03 -0.12 -0.14 0.00 0.11 0.00 0.00 31.00 31.88 1jmk h PRO 70 CO 0.17 0.34 -0.63 -1.21 -0.21 0.00 0.00 178.00 176.47 1jmk s GLU 71 N -5.50 1.35 0.00 1.05 2.02 -1.26 -5.01 118.70 111.35 1jmk s GLU 71 Ca -0.09 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.20 1jmk s GLU 71 Cb 0.20 -0.36 0.00 0.00 0.10 0.00 0.00 34.13 34.08 1jmk s GLU 71 CO 0.76 -0.22 0.00 0.41 0.02 0.00 0.00 175.26 176.23 1jmk n GLY 72 N -0.42 -0.31 3.76 -1.39 0.00 -1.26 -4.96 105.19 100.61 1jmk n GLY 72 Ca -0.02 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 43.94 1jmk n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jmk s PRO 73 N -2.69 3.42 0.00 1.61 0.04 -1.26 -4.68 135.00 131.45 1jmk s PRO 73 Ca 0.00 1.88 -0.00 0.00 0.04 0.00 0.00 61.00 62.92 1jmk s PRO 73 Cb 0.00 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.26 1jmk s PRO 73 CO 0.00 -0.86 0.08 -0.51 0.04 0.00 0.00 177.00 175.76 1jmk s LEU 74 N -3.42 3.90 -0.16 -3.56 1.43 0.67 -4.83 118.68 112.72 1jmk s LEU 74 Ca 0.69 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.94 1jmk s LEU 74 Cb -0.31 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 43.62 1jmk s LEU 74 CO 0.37 0.26 -0.18 -0.89 0.23 0.00 0.00 176.35 176.14 1jmk s THR 75 N -1.22 1.86 0.25 5.49 2.01 -1.26 -0.37 115.64 122.40 1jmk s THR 75 Ca 0.24 -0.83 0.08 0.00 0.31 0.00 0.00 61.69 61.49 1jmk s THR 75 Cb -0.12 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 1jmk s THR 75 CO 0.15 0.51 0.07 -0.76 -0.69 0.00 0.00 174.62 173.90 1jmk s LEU 76 N 1.22 3.45 -0.01 4.42 1.43 -0.71 -1.40 118.68 127.09 1jmk s LEU 76 Ca 0.01 -0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 52.61 1jmk s LEU 76 Cb -0.14 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.09 1jmk s LEU 76 CO -0.09 0.00 0.11 0.12 0.23 0.00 0.00 176.35 176.72 1jmk s PHE 77 N -2.16 0.01 0.03 0.29 5.36 0.32 -0.87 117.98 120.96 1jmk s PHE 77 Ca 0.31 -0.03 -0.16 0.00 -0.96 0.00 0.00 56.93 56.09 1jmk s PHE 77 Cb -0.07 -0.04 0.03 0.00 -0.34 0.00 0.00 43.02 42.60 1jmk s PHE 77 CO 0.22 -0.20 0.37 0.20 -1.46 0.00 0.00 175.22 174.34 1jmk s GLY 78 N -0.93 -0.21 -0.01 13.12 0.00 -0.04 -0.37 107.32 118.89 1jmk s GLY 78 Ca -0.10 0.23 -0.01 0.00 0.00 0.00 0.00 44.72 44.84 1jmk s GLY 78 CO 0.01 -0.01 0.02 -0.47 0.00 0.00 0.00 173.10 172.65 1jmk s TYR 79 N -2.31 -0.02 0.00 1.90 5.04 -1.25 -0.96 117.35 119.75 1jmk s TYR 79 Ca -0.06 0.04 0.00 0.00 -2.44 0.00 0.00 57.07 54.61 1jmk s TYR 79 Cb -0.01 0.00 0.00 0.00 0.35 0.00 0.00 41.96 42.30 1jmk s TYR 79 CO -0.01 -0.01 0.00 0.45 -1.34 0.00 0.00 175.55 174.63 1jmk n SER 80 N 3.04 0.00 0.30 4.32 2.88 -1.13 -1.19 113.62 121.83 1jmk n SER 80 Ca -0.12 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.60 1jmk n SER 80 Cb 0.60 0.00 1.00 0.00 -0.75 0.00 0.00 64.21 65.05 1jmk n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jmk h ALA 81 N -0.95 1.37 0.00 -1.46 0.00 -1.87 -1.49 119.26 114.86 1jmk h ALA 81 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1jmk h ALA 81 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jmk h ALA 81 CO 0.00 -0.14 -0.03 0.78 0.00 0.00 0.00 179.25 179.86 1jmk h GLY 82 N 0.00 0.00 0.98 0.00 0.00 -0.46 -1.93 103.07 101.65 1jmk h GLY 82 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 1jmk h GLY 82 CO -0.00 0.00 0.23 0.00 0.00 0.00 0.00 176.54 176.77 1jmk h SER 84 N 0.70 0.79 -0.72 0.00 0.02 -1.54 -1.86 113.55 110.94 1jmk h SER 84 Ca 0.18 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 1jmk h SER 84 Cb 0.15 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 1jmk h SER 84 CO -0.02 0.80 0.29 -0.07 -1.14 0.00 0.00 176.83 176.69 1jmk h LEU 85 N 0.75 0.98 -0.89 5.07 3.38 -1.31 -1.36 115.31 121.94 1jmk h LEU 85 Ca 0.17 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1jmk h LEU 85 Cb 0.29 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1jmk h LEU 85 CO -0.00 0.89 0.34 0.00 0.09 0.00 0.00 178.44 179.76 1jmk h ALA 86 N 1.14 1.12 -0.31 1.53 0.00 -0.74 0.21 119.26 122.21 1jmk h ALA 86 Ca 0.24 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1jmk h ALA 86 Cb 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1jmk h ALA 86 CO -0.02 0.64 0.02 0.35 0.00 0.00 0.00 179.25 180.24 1jmk h PHE 87 N 1.13 0.59 -0.50 0.00 3.57 -1.02 0.10 116.94 120.81 1jmk h PHE 87 Ca 0.27 -0.10 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 1jmk h PHE 87 Cb 0.17 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 1jmk h PHE 87 CO 0.02 0.66 0.01 0.93 -2.23 0.00 0.00 178.31 177.69 1jmk h GLU 88 N 0.35 0.84 -0.22 1.11 4.39 -0.90 -2.08 114.58 118.07 1jmk h GLU 88 Ca 0.09 -0.23 -0.15 0.00 0.34 0.00 0.00 59.36 59.41 1jmk h GLU 88 Cb 0.41 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1jmk h GLU 88 CO 0.01 0.83 -0.48 0.00 -1.16 0.00 0.00 179.01 178.21 1jmk h ALA 89 N 1.23 0.75 -0.57 3.43 0.00 -0.41 -2.73 119.26 120.95 1jmk h ALA 89 Ca 0.15 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1jmk h ALA 89 Cb 0.46 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1jmk h ALA 89 CO 0.02 0.67 0.26 0.00 0.00 0.00 0.00 179.25 180.20 1jmk h ALA 90 N 1.01 0.74 -0.74 0.00 0.00 -0.47 -0.68 119.26 119.11 1jmk h ALA 90 Ca 0.02 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1jmk h ALA 90 Cb 1.01 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1jmk h ALA 90 CO 0.09 0.33 0.49 0.87 0.00 0.00 0.00 179.25 181.03 1jmk h LYS 91 N 0.78 0.96 -0.23 0.00 1.57 -1.28 -0.26 116.57 118.10 1jmk h LYS 91 Ca 0.19 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1jmk h LYS 91 Cb 0.15 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1jmk h LYS 91 CO -0.02 0.64 0.12 -0.22 -0.57 0.00 0.00 179.45 179.40 1jmk h LYS 92 N 0.99 0.33 -0.40 3.15 1.63 -1.15 -1.87 116.57 119.24 1jmk h LYS 92 Ca 0.28 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.02 1jmk h LYS 92 Cb -0.09 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.46 1jmk h LYS 92 CO -0.07 0.31 0.19 -0.07 -3.45 0.00 0.00 179.45 176.36 1jmk h LEU 93 N 0.26 0.54 -1.44 5.20 3.38 -0.72 -2.35 115.31 120.17 1jmk h LEU 93 Ca 0.08 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1jmk h LEU 93 Cb 0.08 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1jmk h LEU 93 CO -0.01 0.52 -0.28 -0.33 0.09 0.00 0.00 178.44 178.43 1jmk h GLU 94 N 0.51 0.00 0.00 1.13 5.08 -1.01 -1.26 114.58 119.03 1jmk h GLU 94 Ca 0.14 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1jmk h GLU 94 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1jmk h GLU 94 CO -0.02 0.28 -0.18 0.78 -1.00 0.00 0.00 179.01 178.88 1jmk h GLY 95 N 0.93 0.00 -1.21 -3.84 0.00 -0.83 -2.06 103.07 96.07 1jmk h GLY 95 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jmk h GLY 95 CO 0.04 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.52 1jmk n GLN 96 N -3.48 1.91 -0.12 4.80 6.02 -0.54 -4.92 117.38 121.05 1jmk n GLN 96 Ca -0.01 -1.38 0.00 0.00 -0.01 0.00 0.00 57.00 55.61 1jmk n GLN 96 Cb 0.34 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.20 1jmk n GLN 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jmk n GLY 97 N 1.20 0.73 3.80 1.08 0.00 -0.77 -5.06 105.19 106.17 1jmk n GLY 97 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1jmk n GLY 97 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jmk s ARG 98 N -0.73 3.69 -0.29 1.61 1.81 -0.82 -4.98 118.95 119.24 1jmk s ARG 98 Ca 0.00 1.27 -0.13 0.00 -1.72 0.00 0.00 55.73 55.15 1jmk s ARG 98 Cb 0.00 -2.08 -0.04 0.00 -0.45 0.00 0.00 34.95 32.38 1jmk s ARG 98 CO 0.00 -0.51 0.27 0.42 -0.68 0.00 0.00 175.30 174.80 1jmk s ILE 99 N -2.18 5.25 -0.43 1.52 1.01 -1.26 -4.03 121.20 121.09 1jmk s ILE 99 Ca 0.65 0.23 -0.14 0.00 0.00 0.00 0.00 60.65 61.40 1jmk s ILE 99 Cb -0.15 -3.63 0.05 0.00 0.01 0.00 0.00 42.46 38.73 1jmk s ILE 99 CO 0.25 0.16 0.31 -0.69 0.00 0.00 0.00 174.94 174.97 1jmk s VAL 100 N 1.87 5.02 0.07 2.92 1.01 -1.26 -0.24 120.40 129.80 1jmk s VAL 100 Ca 0.10 -0.91 -0.21 0.00 0.00 0.00 0.00 61.98 60.96 1jmk s VAL 100 Cb -0.16 -3.89 -0.12 0.00 0.00 0.00 0.00 36.38 32.21 1jmk s VAL 100 CO 0.11 -0.41 1.54 -0.61 0.00 0.00 0.00 175.10 175.73 1jmk h GLN 101 N 8.61 0.24 -2.55 2.72 4.15 -1.03 -3.33 115.11 123.92 1jmk h GLN 101 Ca -0.27 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.10 1jmk h GLN 101 Cb 1.11 -0.03 -0.15 0.00 0.21 0.00 0.00 27.48 28.62 1jmk h GLN 101 CO 0.77 0.41 0.29 -0.98 -1.93 0.00 0.00 178.83 177.39 1jmk s ARG 102 N -5.22 1.09 -0.13 1.69 1.70 -1.21 -2.53 118.95 114.33 1jmk s ARG 102 Ca -0.14 -0.25 0.01 0.00 -0.47 0.00 0.00 55.73 54.87 1jmk s ARG 102 Cb 0.06 0.50 0.02 0.00 -0.57 0.00 0.00 34.95 34.97 1jmk s ARG 102 CO 0.71 -0.45 -0.14 0.42 -1.08 0.00 0.00 175.30 174.77 1jmk s ILE 103 N -2.95 1.48 -0.29 4.99 1.01 -0.06 -1.73 121.20 123.65 1jmk s ILE 103 Ca -0.01 -0.59 -0.12 0.00 0.00 0.00 0.00 60.65 59.93 1jmk s ILE 103 Cb -0.01 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1jmk s ILE 103 CO -0.07 0.44 0.24 -0.63 0.00 0.00 0.00 174.94 174.93 1jmk s ILE 104 N 1.39 5.27 -0.11 2.92 1.01 -0.05 -1.16 121.20 130.47 1jmk s ILE 104 Ca 0.02 0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.87 1jmk s ILE 104 Cb -0.13 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 1jmk s ILE 104 CO -0.08 0.19 -0.02 -0.04 0.00 0.00 0.00 174.94 174.99 1jmk s MET 105 N 1.84 3.17 -0.29 2.79 -1.94 0.15 -0.86 119.30 124.17 1jmk s MET 105 Ca 0.09 -0.46 0.00 0.00 -1.71 0.00 0.00 55.69 53.61 1jmk s MET 105 Cb -0.16 -2.81 0.06 0.00 2.01 0.00 0.00 34.83 33.93 1jmk s MET 105 CO 0.11 0.55 -0.04 0.08 -0.01 0.00 0.00 175.02 175.71 1jmk s VAL 106 N -0.48 2.63 -1.35 -6.03 1.01 -0.13 -1.00 120.40 115.05 1jmk s VAL 106 Ca 0.08 -1.52 -0.18 0.00 0.00 0.00 0.00 61.98 60.36 1jmk s VAL 106 Cb -0.12 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.74 1jmk s VAL 106 CO 0.02 -0.09 0.41 -0.67 0.00 0.00 0.00 175.10 174.77 1jmk n ASP 107 N 4.53 -1.97 -3.71 3.32 2.03 0.82 -2.83 116.55 118.73 1jmk n ASP 107 Ca -0.13 -1.25 -0.14 0.00 0.52 0.00 0.00 54.79 53.79 1jmk n ASP 107 Cb 0.43 -1.85 -0.08 0.00 -0.72 0.00 0.00 41.12 38.90 1jmk n ASP 107 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1jmk s SER 108 N -3.92 -0.26 0.44 1.67 0.15 -1.26 -4.54 113.70 105.98 1jmk s SER 108 Ca 0.27 0.14 0.06 0.00 0.70 0.00 0.00 55.95 57.11 1jmk s SER 108 Cb -0.14 0.36 -0.06 0.00 -1.71 0.00 0.00 66.02 64.47 1jmk s SER 108 CO 0.97 -0.51 0.04 -0.31 1.20 0.00 0.00 173.24 174.63 1jmk s TYR 109 N -1.57 2.36 0.15 3.44 1.51 -1.26 -5.00 117.35 116.99 1jmk s TYR 109 Ca -0.11 -0.73 -0.30 0.00 -1.01 0.00 0.00 57.07 54.92 1jmk s TYR 109 Cb -0.03 -1.77 -0.07 0.00 -0.11 0.00 0.00 41.96 39.97 1jmk s TYR 109 CO 0.04 0.34 1.10 0.21 -1.11 0.00 0.00 175.55 176.12 1jmk s LYS 110 N -3.79 4.58 -0.05 -0.62 2.20 -0.57 -4.78 119.74 116.71 1jmk s LYS 110 Ca 0.29 1.69 -0.30 0.00 -0.36 0.00 0.00 55.97 57.30 1jmk s LYS 110 Cb 0.07 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 33.06 1jmk s LYS 110 CO 0.15 0.05 1.22 0.15 -0.36 0.00 0.00 175.35 176.56 1jmk s LYS 111 N -0.15 4.34 -0.00 4.03 -0.14 -1.26 -1.09 119.74 125.47 1jmk s LYS 111 Ca 0.50 1.70 0.09 0.00 -1.36 0.00 0.00 55.97 56.90 1jmk s LYS 111 Cb -0.29 -3.56 -0.11 0.00 -1.68 0.00 0.00 37.83 32.19 1jmk s LYS 111 CO 0.34 -0.46 0.31 0.94 -0.76 0.00 0.00 175.35 175.71 1jmk n GLN 112 N 5.23 2.83 -3.85 1.68 7.27 0.11 -1.58 117.38 129.06 1jmk n GLN 112 Ca 0.11 -0.03 -0.03 0.00 0.07 0.00 0.00 57.00 57.12 1jmk n GLN 112 Cb 0.46 -1.01 0.01 0.00 2.41 0.00 0.00 30.24 32.11 1jmk n GLN 112 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 1jmk s GLY 113 N -2.23 0.04 0.18 1.69 0.00 -0.96 -4.90 107.32 101.14 1jmk s GLY 113 Ca 0.01 -0.22 -0.31 0.00 0.00 0.00 0.00 44.72 44.20 1jmk s GLY 113 CO 0.36 2.01 1.48 0.14 0.00 0.00 0.00 173.10 177.09 1jmk s VAL 114 N -2.36 2.83 0.32 1.40 1.01 -1.26 -4.77 120.40 117.57 1jmk s VAL 114 Ca 0.20 0.62 -0.29 0.00 0.00 0.00 0.00 61.98 62.51 1jmk s VAL 114 Cb -0.02 -3.40 -0.11 0.00 0.00 0.00 0.00 36.38 32.85 1jmk s VAL 114 CO 0.04 0.06 1.50 -0.44 0.00 0.00 0.00 175.10 176.27 1jmk s SER 115 N 0.90 6.44 -0.38 3.32 0.01 -0.11 -4.86 113.70 119.02 1jmk s SER 115 Ca 0.65 2.93 -0.17 0.00 1.31 0.00 0.00 55.95 60.66 1jmk s SER 115 Cb -0.41 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.17 1jmk s SER 115 CO 0.34 -0.83 0.47 -0.62 0.41 0.00 0.00 173.24 173.01 1jmk s ASP 116 N 0.13 6.25 -0.04 2.44 -1.08 -1.26 -4.93 116.67 118.17 1jmk s ASP 116 Ca 0.57 -0.29 0.12 0.00 -0.52 0.00 0.00 52.55 52.44 1jmk s ASP 116 Cb -0.46 -2.24 0.42 0.00 -1.46 0.00 0.00 42.92 39.18 1jmk s ASP 116 CO 0.54 -0.51 1.30 0.18 0.52 0.00 0.00 175.17 177.20 1jmk n LEU 117 N 5.68 2.82 0.00 -1.34 4.77 -1.26 -5.01 117.00 122.66 1jmk n LEU 117 Ca -0.06 -1.42 0.00 0.00 -0.03 0.00 0.00 56.01 54.50 1jmk n LEU 117 Cb 0.48 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1jmk n LEU 117 CO 0.45 0.56 0.00 0.47 -1.33 0.00 0.00 177.39 177.54 1jmk n ASP 118 N 0.68 0.00 -1.83 -1.43 9.92 -1.26 -0.52 116.55 122.11 1jmk n ASP 118 Ca 0.15 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.48 1jmk n ASP 118 Cb 0.51 0.00 0.39 0.00 -0.64 0.00 0.00 41.12 41.38 1jmk n ASP 118 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jmk n GLY 119 N 0.00 2.92 3.87 0.44 0.00 -1.26 -4.95 105.19 106.21 1jmk n GLY 119 Ca 0.00 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 1jmk n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jmk n ARG 120 N 0.66 0.65 -4.20 1.61 1.74 0.33 -5.15 116.66 112.29 1jmk n ARG 120 Ca 0.27 -3.35 -0.12 0.00 -0.77 0.00 0.00 57.85 53.88 1jmk n ARG 120 Cb 1.15 0.15 -0.10 0.00 -1.02 0.00 0.00 32.46 32.63 1jmk n ARG 120 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1jmk s THR 121 N -2.71 0.39 0.19 0.55 -4.23 -1.26 -4.84 115.64 103.72 1jmk s THR 121 Ca 0.42 -1.94 -0.12 0.00 -1.18 0.00 0.00 61.69 58.86 1jmk s THR 121 Cb -0.03 -2.09 0.09 0.00 1.34 0.00 0.00 72.50 71.80 1jmk s THR 121 CO 0.27 -0.46 1.82 0.58 -0.54 0.00 0.00 174.62 176.29 1jmk h VAL 122 N 2.77 1.05 -0.40 2.29 2.07 -1.99 -1.69 116.25 120.35 1jmk h VAL 122 Ca -0.36 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.01 1jmk h VAL 122 Cb 1.20 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 1jmk h VAL 122 CO 0.61 0.12 -0.08 -0.08 0.02 0.00 0.00 177.57 178.16 1jmk h GLU 123 N 0.67 0.02 -0.27 1.57 4.81 -1.99 0.03 114.58 119.41 1jmk h GLU 123 Ca 0.23 -0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.29 1jmk h GLU 123 Cb 0.04 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1jmk h GLU 123 CO -0.11 0.01 -0.51 0.66 -0.73 0.00 0.00 179.01 178.33 1jmk h SER 124 N 0.02 0.84 -0.51 1.04 4.64 -1.90 -2.54 113.55 115.13 1jmk h SER 124 Ca 0.19 -0.43 -0.06 0.00 -0.47 0.00 0.00 61.79 61.02 1jmk h SER 124 Cb 0.29 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1jmk h SER 124 CO -0.39 1.20 0.10 0.44 -0.87 0.00 0.00 176.83 177.31 1jmk h ASP 125 N 0.60 0.84 -0.55 4.97 3.32 -0.94 -1.82 116.42 122.84 1jmk h ASP 125 Ca 0.02 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 1jmk h ASP 125 Cb 1.09 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 1jmk h ASP 125 CO 0.11 0.84 0.11 0.58 -1.72 0.00 0.00 179.24 179.16 1jmk h VAL 126 N 0.85 1.25 -0.48 -1.35 2.07 -0.94 0.76 116.25 118.42 1jmk h VAL 126 Ca 0.18 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1jmk h VAL 126 Cb 0.36 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1jmk h VAL 126 CO 0.01 0.34 0.19 -0.33 0.02 0.00 0.00 177.57 177.80 1jmk h GLU 127 N 0.79 0.68 -0.07 1.57 4.39 -1.12 -2.04 114.58 118.78 1jmk h GLU 127 Ca 0.17 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 1jmk h GLU 127 Cb 0.38 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1jmk h GLU 127 CO 0.01 0.56 -0.17 0.00 -1.16 0.00 0.00 179.01 178.24 1jmk h ALA 128 N 1.54 0.11 -0.09 3.43 0.00 -0.87 -2.98 119.26 120.40 1jmk h ALA 128 Ca 0.16 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1jmk h ALA 128 Cb 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1jmk h ALA 128 CO -0.02 0.04 0.10 -0.07 0.00 0.00 0.00 179.25 179.31 1jmk h LEU 129 N -0.27 0.00 -0.60 0.00 3.38 -0.61 0.34 115.31 117.55 1jmk h LEU 129 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jmk h LEU 129 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1jmk h LEU 129 CO 0.04 0.00 -0.15 0.23 0.09 0.00 0.00 178.44 178.64 1jmk n MET 130 N -3.85 1.08 -0.10 1.13 2.81 -0.79 -3.77 117.12 113.64 1jmk n MET 130 Ca -0.01 -0.60 -0.14 0.00 -1.81 0.00 0.00 57.70 55.15 1jmk n MET 130 Cb 0.21 -1.49 -0.14 0.00 -0.71 0.00 0.00 33.22 31.09 1jmk n MET 130 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1jmk n ASN 131 N -0.44 0.94 0.25 7.83 5.03 0.11 -3.36 115.26 125.63 1jmk n ASN 131 Ca 0.15 -0.01 0.17 0.00 0.87 0.00 0.00 54.58 55.76 1jmk n ASN 131 Cb 0.34 0.27 0.80 0.00 -1.02 0.00 0.00 39.78 40.18 1jmk n ASN 131 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 1jmk h VAL 132 N 0.00 0.00 -0.32 2.41 -1.51 -1.39 -2.52 116.25 112.92 1jmk h VAL 132 Ca -0.53 -0.22 -0.25 0.00 -1.23 0.00 0.00 66.70 64.46 1jmk h VAL 132 Cb 2.09 1.09 -0.30 0.00 -2.13 0.00 0.00 31.29 32.04 1jmk h VAL 132 CO -0.01 0.00 -0.84 0.59 -1.23 0.00 0.00 177.57 176.08 1jmk n ASN 133 N -2.80 2.50 0.20 4.19 3.02 -1.25 -4.81 115.26 116.31 1jmk n ASN 133 Ca -0.01 -3.05 0.05 0.00 -0.03 0.00 0.00 54.58 51.54 1jmk n ASN 133 Cb 0.18 -0.42 0.44 0.00 -0.61 0.00 0.00 39.78 39.37 1jmk n ASN 133 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 1jmk h ARG 134 N 1.71 0.00 -3.04 3.52 -0.00 -1.45 -3.31 114.38 111.81 1jmk h ARG 134 Ca 0.03 0.00 -0.67 0.00 -0.00 0.00 0.00 59.98 59.34 1jmk h ARG 134 Cb 1.41 0.00 -0.38 0.00 -0.00 0.00 0.00 29.97 31.00 1jmk h ARG 134 CO 0.29 0.30 -0.24 -0.25 -0.00 0.00 0.00 179.97 180.07 1jmk n ASP 135 N -3.99 3.99 -3.55 0.08 8.00 -1.26 -4.99 116.55 114.83 1jmk n ASP 135 Ca -0.02 -3.23 -0.21 0.00 0.71 0.00 0.00 54.79 52.04 1jmk n ASP 135 Cb 0.36 -0.93 -0.15 0.00 -0.02 0.00 0.00 41.12 40.39 1jmk n ASP 135 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1jmk s ASN 136 N -1.02 1.68 0.48 -2.24 2.47 -1.25 -5.03 114.94 110.03 1jmk s ASN 136 Ca 0.29 -0.32 0.30 0.00 0.42 0.00 0.00 52.86 53.55 1jmk s ASN 136 Cb -0.02 0.15 1.39 0.00 -1.45 0.00 0.00 41.25 41.32 1jmk s ASN 136 CO -0.10 -0.33 1.76 1.05 -3.72 0.00 0.00 177.10 175.76 1jmk h GLU 137 N 8.36 0.15 -0.22 0.43 4.11 -1.94 0.35 114.58 125.81 1jmk h GLU 137 Ca -0.16 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.26 1jmk h GLU 137 Cb 1.15 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1jmk h GLU 137 CO 0.27 0.10 0.12 0.00 0.07 0.00 0.00 179.01 179.57 1jmk h ALA 138 N 1.49 1.80 -0.22 1.06 0.00 -1.96 -1.33 119.26 120.11 1jmk h ALA 138 Ca 0.63 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1jmk h ALA 138 Cb 2.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1jmk h ALA 138 CO -0.16 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1jmk n LEU 139 N -4.48 1.88 0.00 0.00 4.77 0.12 -4.82 117.00 114.47 1jmk n LEU 139 Ca 0.00 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 1jmk n LEU 139 Cb 0.09 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1jmk n LEU 139 CO 0.35 0.35 0.00 0.59 -1.33 0.00 0.00 177.39 177.35 1jmk n ASN 140 N 0.21 0.00 -1.38 -1.43 5.03 -0.50 -4.36 115.26 112.82 1jmk n ASN 140 Ca 0.09 -0.06 0.00 0.00 0.87 0.00 0.00 54.58 55.48 1jmk n ASN 140 Cb 0.37 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.13 1jmk n ASN 140 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1jmk n SER 141 N -0.17 -7.53 0.29 6.41 2.88 -1.26 -4.05 113.62 110.18 1jmk n SER 141 Ca 0.00 1.28 0.18 0.00 -1.33 0.00 0.00 58.87 59.00 1jmk n SER 141 Cb 0.00 -4.15 0.80 0.00 -0.75 0.00 0.00 64.21 60.11 1jmk n SER 141 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1jmk h GLU 142 N 0.98 0.00 0.75 -1.46 4.11 -1.97 -2.34 114.58 114.65 1jmk h GLU 142 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 1jmk h GLU 142 Cb 0.30 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1jmk h GLU 142 CO 0.00 0.03 -0.36 0.00 0.07 0.00 0.00 179.01 178.75 1jmk h ALA 143 N 1.97 -1.01 -0.21 1.06 0.00 -1.98 0.09 119.26 119.18 1jmk h ALA 143 Ca -0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 1jmk h ALA 143 Cb 0.39 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1jmk h ALA 143 CO 0.00 -1.05 -0.34 0.28 0.00 0.00 0.00 179.25 178.15 1jmk h VAL 144 N -1.04 1.33 -0.41 0.00 2.07 -1.68 -3.25 116.25 113.27 1jmk h VAL 144 Ca -0.10 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 1jmk h VAL 144 Cb 0.78 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 1jmk h VAL 144 CO 0.17 0.48 0.16 0.11 0.02 0.00 0.00 177.57 178.51 1jmk h LYS 145 N 0.27 0.58 0.00 1.57 1.57 -1.45 0.54 116.57 119.64 1jmk h LYS 145 Ca 0.02 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1jmk h LYS 145 Cb 0.92 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 1jmk h LYS 145 CO 0.08 0.48 -0.10 1.25 -0.57 0.00 0.00 179.45 180.59 1jmk h HIS 146 N 0.57 0.00 0.00 -1.35 2.76 -1.00 -3.31 115.15 112.82 1jmk h HIS 146 Ca 0.14 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1jmk h HIS 146 Cb 0.13 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.09 1jmk h HIS 146 CO 0.01 0.10 0.00 0.41 -1.30 0.00 0.00 177.93 177.15 1jmk n GLY 147 N -0.13 -0.55 0.18 5.26 0.00 -0.93 -4.86 105.19 104.17 1jmk n GLY 147 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 1jmk n GLY 147 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jmk h LEU 148 N 0.00 0.15 0.36 0.99 5.85 -0.03 -0.16 115.31 122.47 1jmk h LEU 148 Ca 0.00 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1jmk h LEU 148 Cb 0.69 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1jmk h LEU 148 CO 0.00 0.12 -0.17 0.50 -0.34 0.00 0.00 178.44 178.54 1jmk h LYS 149 N 0.32 -0.47 -0.81 1.25 1.63 -1.84 -0.11 116.57 116.53 1jmk h LYS 149 Ca 0.21 0.03 0.01 0.00 -0.85 0.00 0.00 60.65 60.05 1jmk h LYS 149 Cb 0.21 0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.90 1jmk h LYS 149 CO -0.22 -0.31 0.53 0.37 -3.45 0.00 0.00 179.45 176.38 1jmk h GLN 150 N -0.49 1.05 -0.31 1.90 4.15 -1.87 -0.61 115.11 118.93 1jmk h GLN 150 Ca -0.05 -0.06 -0.17 0.00 0.77 0.00 0.00 58.65 59.14 1jmk h GLN 150 Cb 0.38 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 27.83 1jmk h GLN 150 CO 0.08 0.69 -0.45 -0.22 -1.93 0.00 0.00 178.83 177.00 1jmk h LYS 151 N 1.08 0.86 -0.59 1.69 3.64 -0.93 -1.52 116.57 120.80 1jmk h LYS 151 Ca 0.30 -0.51 -0.10 0.00 -1.27 0.00 0.00 60.65 59.08 1jmk h LYS 151 Cb -0.09 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1jmk h LYS 151 CO -0.08 1.14 -0.00 1.15 -2.27 0.00 0.00 179.45 179.39 1jmk h THR 152 N 0.64 1.27 -0.44 1.00 2.02 -0.83 -0.39 112.91 116.16 1jmk h THR 152 Ca 0.03 -1.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.03 1jmk h THR 152 Cb 1.06 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 1jmk h THR 152 CO 0.11 0.42 0.18 -0.74 0.37 0.00 0.00 175.52 175.85 1jmk h HIS 153 N 0.94 0.67 -0.50 3.16 -0.00 -1.06 0.30 115.15 118.66 1jmk h HIS 153 Ca 0.17 -0.05 -0.06 0.00 -0.00 0.00 0.00 60.37 60.43 1jmk h HIS 153 Cb 0.56 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.75 1jmk h HIS 153 CO 0.04 0.58 0.07 0.00 -0.00 0.00 0.00 177.93 178.62 1jmk h ALA 154 N 1.02 0.66 -0.28 5.26 0.00 -1.06 -0.64 119.26 124.23 1jmk h ALA 154 Ca 0.15 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1jmk h ALA 154 Cb 0.19 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1jmk h ALA 154 CO -0.01 0.40 -0.34 0.35 0.00 0.00 0.00 179.25 179.65 1jmk h PHE 155 N 0.70 0.87 -0.64 0.00 -0.00 -0.92 -1.47 116.94 115.48 1jmk h PHE 155 Ca 0.15 -0.28 -0.08 0.00 -0.00 0.00 0.00 57.97 57.77 1jmk h PHE 155 Cb 0.41 -0.18 -0.03 0.00 -0.00 0.00 0.00 35.95 36.15 1jmk h PHE 155 CO 0.03 1.04 0.10 -0.92 -0.00 0.00 0.00 178.31 178.56 1jmk h TYR 156 N 0.46 1.13 -0.62 0.41 3.20 -0.89 -0.15 116.97 120.51 1jmk h TYR 156 Ca 0.04 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.74 1jmk h TYR 156 Cb 0.92 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 1jmk h TYR 156 CO 0.08 0.96 0.35 0.77 -1.64 0.00 0.00 178.16 178.67 1jmk h SER 157 N 0.98 0.77 -0.28 -2.11 0.02 -1.06 0.82 113.55 112.69 1jmk h SER 157 Ca 0.19 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1jmk h SER 157 Cb 0.44 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1jmk h SER 157 CO 0.01 0.63 0.17 0.22 -1.14 0.00 0.00 176.83 176.73 1jmk h TYR 158 N 0.84 0.33 -0.30 3.45 3.20 -0.90 -2.31 116.97 121.28 1jmk h TYR 158 Ca 0.22 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 1jmk h TYR 158 Cb 0.03 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1jmk h TYR 158 CO -0.01 0.20 0.12 -0.92 -1.64 0.00 0.00 178.16 175.91 1jmk h TYR 159 N 0.36 0.45 -0.91 -3.82 3.20 -0.61 -1.40 116.97 114.23 1jmk h TYR 159 Ca 0.10 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1jmk h TYR 159 Cb -0.03 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.06 1jmk h TYR 159 CO -0.07 0.44 0.55 0.28 -1.64 0.00 0.00 178.16 177.73 1jmk h VAL 160 N 0.33 1.25 -0.01 1.81 2.07 -0.74 -2.90 116.25 118.06 1jmk h VAL 160 Ca 0.10 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1jmk h VAL 160 Cb 0.18 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1jmk h VAL 160 CO -0.01 0.26 -0.32 0.59 0.02 0.00 0.00 177.57 178.11 1jmk n ASN 161 N -4.36 0.99 -4.75 0.57 3.02 -0.88 -0.93 115.26 108.92 1jmk n ASN 161 Ca 0.10 -0.82 -0.40 0.00 -0.03 0.00 0.00 54.58 53.43 1jmk n ASN 161 Cb 0.06 0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 39.37 1jmk n ASN 161 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1jmk s LEU 162 N -2.59 4.53 -0.25 3.41 2.96 -0.54 -4.79 118.68 121.42 1jmk s LEU 162 Ca 0.22 2.25 -0.02 0.00 -0.22 0.00 0.00 54.13 56.36 1jmk s LEU 162 Cb 0.19 -3.62 0.08 0.00 0.50 0.00 0.00 46.19 43.34 1jmk s LEU 162 CO 0.56 -0.18 0.06 -0.63 -1.32 0.00 0.00 176.35 174.84 1jmk s ILE 163 N -0.94 0.73 0.01 6.68 1.01 -1.26 -4.44 121.20 122.99 1jmk s ILE 163 Ca 0.46 -1.00 -0.22 0.00 0.00 0.00 0.00 60.65 59.88 1jmk s ILE 163 Cb -0.32 -1.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.72 1jmk s ILE 163 CO 0.40 -0.44 0.67 -0.44 0.00 0.00 0.00 174.94 175.13 1jmk s SER 164 N 1.73 7.06 0.39 3.58 0.01 -0.61 -5.00 113.70 120.86 1jmk s SER 164 Ca 0.04 1.27 0.03 0.00 1.31 0.00 0.00 55.95 58.61 1jmk s SER 164 Cb -0.17 -2.41 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 1jmk s SER 164 CO -0.17 0.05 0.09 0.42 0.41 0.00 0.00 173.24 174.03 1jmk s THR 165 N -0.03 0.89 0.01 1.44 -4.23 -1.26 -4.78 115.64 107.68 1jmk s THR 165 Ca 0.34 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 1jmk s THR 165 Cb -0.19 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.16 1jmk s THR 165 CO 0.19 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.88 1jmk n GLY 166 N -0.88 -2.10 3.20 3.99 0.00 -1.26 -5.02 105.19 103.12 1jmk n GLY 166 Ca -0.06 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 1jmk n GLY 166 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jmk s GLN 167 N -0.36 0.98 0.29 1.61 -0.21 -1.26 -4.69 119.66 116.02 1jmk s GLN 167 Ca 0.00 -1.36 0.10 0.00 0.02 0.00 0.00 55.36 54.12 1jmk s GLN 167 Cb 0.00 0.28 -0.05 0.00 1.00 0.00 0.00 33.01 34.23 1jmk s GLN 167 CO 0.00 -0.30 -0.15 0.14 -2.12 0.00 0.00 175.29 172.86 1jmk s VAL 168 N -4.02 2.27 -0.18 1.09 -7.23 0.01 -4.92 120.40 107.42 1jmk s VAL 168 Ca 0.22 -2.31 0.21 0.00 -1.81 0.00 0.00 61.98 58.29 1jmk s VAL 168 Cb 0.06 -2.39 -0.07 0.00 0.56 0.00 0.00 36.38 34.54 1jmk s VAL 168 CO 0.01 -0.35 0.92 0.29 -0.31 0.00 0.00 175.10 175.65 1jmk n LYS 169 N -0.65 0.62 -1.70 4.82 5.02 -1.26 -1.65 118.16 123.36 1jmk n LYS 169 Ca -0.05 0.12 -0.39 0.00 -2.02 0.00 0.00 58.31 55.98 1jmk n LYS 169 Cb 0.61 -1.79 0.04 0.00 -0.02 0.00 0.00 35.03 33.88 1jmk n LYS 169 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jmk n ALA 170 N -2.26 1.05 -1.70 7.82 0.00 -1.25 -3.58 120.51 120.59 1jmk n ALA 170 Ca -0.04 0.10 -0.33 0.00 0.00 0.00 0.00 53.44 53.17 1jmk n ALA 170 Cb 0.65 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1jmk n ALA 170 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jmk s ASP 171 N -1.02 5.86 -0.10 0.00 1.01 -1.05 -4.40 116.67 116.96 1jmk s ASP 171 Ca 0.73 1.92 0.02 0.00 0.71 0.00 0.00 52.55 55.93 1jmk s ASP 171 Cb -0.43 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 40.97 1jmk s ASP 171 CO 0.49 -1.12 -0.14 -0.63 0.21 0.00 0.00 175.17 173.98 1jmk s ILE 172 N -2.21 1.43 -0.11 0.77 1.01 -0.49 -0.88 121.20 120.72 1jmk s ILE 172 Ca 0.66 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.71 1jmk s ILE 172 Cb -0.18 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 1jmk s ILE 172 CO 0.31 0.43 -0.10 -1.81 0.00 0.00 0.00 174.94 173.76 1jmk s ASP 173 N 0.98 4.27 -0.11 3.58 1.01 -0.31 -0.83 116.67 125.25 1jmk s ASP 173 Ca -0.07 -0.21 0.02 0.00 0.71 0.00 0.00 52.55 52.99 1jmk s ASP 173 Cb -0.15 -1.43 0.01 0.00 1.01 0.00 0.00 42.92 42.37 1jmk s ASP 173 CO -0.01 0.23 -0.17 -0.22 0.21 0.00 0.00 175.17 175.21 1jmk s LEU 174 N -0.04 1.81 -0.30 1.23 2.96 0.17 0.33 118.68 124.84 1jmk s LEU 174 Ca -0.02 -0.47 -0.11 0.00 -0.22 0.00 0.00 54.13 53.32 1jmk s LEU 174 Cb -0.14 -1.17 -0.03 0.00 0.50 0.00 0.00 46.19 45.35 1jmk s LEU 174 CO 0.03 0.03 0.19 -0.22 -1.32 0.00 0.00 176.35 175.07 1jmk s LEU 175 N 0.93 4.14 0.14 -0.68 2.96 -0.17 -1.39 118.68 124.61 1jmk s LEU 175 Ca -0.07 -0.26 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 1jmk s LEU 175 Cb -0.15 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 1jmk s LEU 175 CO -0.01 -0.14 0.35 0.42 -1.32 0.00 0.00 176.35 175.65 1jmk s THR 176 N 1.71 5.22 0.75 3.68 -4.23 -0.51 -0.13 115.64 122.13 1jmk s THR 176 Ca 0.06 -0.14 -0.11 0.00 -1.18 0.00 0.00 61.69 60.32 1jmk s THR 176 Cb -0.17 -3.65 0.04 0.00 1.34 0.00 0.00 72.50 70.07 1jmk s THR 176 CO 0.09 0.01 1.08 -0.94 -0.54 0.00 0.00 174.62 174.32 1jmk s SER 177 N -2.62 4.84 0.55 3.99 1.04 -1.26 0.12 113.70 120.35 1jmk s SER 177 Ca 0.39 1.64 0.34 0.00 0.48 0.00 0.00 55.95 58.80 1jmk s SER 177 Cb -0.12 -2.42 1.42 0.00 0.10 0.00 0.00 66.02 64.99 1jmk s SER 177 CO 0.26 -1.80 2.00 1.23 0.98 0.00 0.00 173.24 175.92 1jmk h GLY 178 N -0.96 0.00 -3.92 7.32 0.00 -0.50 -3.41 103.07 101.60 1jmk h GLY 178 Ca -0.44 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.38 1jmk h GLY 178 CO 0.55 0.00 0.34 0.00 0.00 0.00 0.00 176.54 177.43 1jmk s ALA 179 N -3.69 3.31 0.89 3.60 0.00 -1.22 -4.93 121.76 119.73 1jmk s ALA 179 Ca 0.01 0.59 -0.10 0.00 0.00 0.00 0.00 51.96 52.45 1jmk s ALA 179 Cb 0.09 -3.22 0.13 0.00 0.00 0.00 0.00 23.12 20.12 1jmk s ALA 179 CO 0.53 0.12 1.14 -0.51 0.00 0.00 0.00 175.76 177.04 1jmk s ASP 180 N -0.69 3.18 -0.26 0.00 1.01 -1.26 -5.01 116.67 113.65 1jmk s ASP 180 Ca 0.43 2.14 -0.26 0.00 0.71 0.00 0.00 52.55 55.57 1jmk s ASP 180 Cb -0.25 -2.56 0.12 0.00 1.01 0.00 0.00 42.92 41.24 1jmk s ASP 180 CO 0.31 -2.93 1.00 0.12 0.21 0.00 0.00 175.17 173.88 1jmk s PHE 181 N -2.67 -0.48 -0.30 4.23 5.36 -1.26 -5.13 117.98 117.72 1jmk s PHE 181 Ca 0.66 1.12 -0.05 0.00 -0.96 0.00 0.00 56.93 57.71 1jmk s PHE 181 Cb -0.22 0.37 0.03 0.00 -0.34 0.00 0.00 43.02 42.86 1jmk s PHE 181 CO 0.57 -0.27 0.04 -0.51 -1.46 0.00 0.00 175.22 173.60 1jmk s ASP 182 N -0.01 4.97 -0.12 6.13 1.01 -1.26 -5.06 116.67 122.33 1jmk s ASP 182 Ca 0.02 -0.97 -0.33 0.00 0.71 0.00 0.00 52.55 51.98 1jmk s ASP 182 Cb -0.04 -1.80 -0.11 0.00 1.01 0.00 0.00 42.92 41.98 1jmk s ASP 182 CO -0.04 -0.23 1.96 -0.38 0.21 0.00 0.00 175.17 176.69 1jmk n ILE 183 N 4.77 0.54 -0.87 0.77 5.41 -1.26 -4.95 119.36 123.78 1jmk n ILE 183 Ca -0.14 -0.16 -0.30 0.00 1.00 0.00 0.00 62.75 63.15 1jmk n ILE 183 Cb 0.46 -1.99 0.18 0.00 -0.71 0.00 0.00 39.64 37.59 1jmk n ILE 183 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 1jmk s PRO 184 N 4.61 0.45 0.47 0.38 0.02 -1.26 -4.91 135.00 134.76 1jmk s PRO 184 Ca 0.95 0.99 0.15 0.00 0.02 0.00 0.00 61.00 63.11 1jmk s PRO 184 Cb -0.64 -1.70 1.12 0.00 0.02 0.00 0.00 34.50 33.30 1jmk s PRO 184 CO 0.49 -2.85 2.05 1.49 -0.33 0.00 0.00 177.00 177.85 1jmk h GLU 185 N -2.00 0.25 -0.18 5.54 4.81 -2.01 -2.07 114.58 118.92 1jmk h GLU 185 Ca -0.52 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1jmk h GLU 185 Cb 1.30 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1jmk h GLU 185 CO 0.50 0.16 0.00 -2.67 -0.73 0.00 0.00 179.01 176.27 1jmk n TRP 186 N -4.48 0.23 -4.43 0.92 2.14 -1.26 -4.80 117.44 105.76 1jmk n TRP 186 Ca 0.04 -0.11 -0.22 0.00 2.07 0.00 0.00 57.50 59.28 1jmk n TRP 186 Cb 0.25 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.65 1jmk n TRP 186 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1jmk s LEU 187 N -1.50 2.58 0.10 5.67 1.43 -0.78 0.09 118.68 126.27 1jmk s LEU 187 Ca 0.31 -1.05 -0.14 0.00 -1.03 0.00 0.00 54.13 52.22 1jmk s LEU 187 Cb 0.16 -0.90 0.02 0.00 0.03 0.00 0.00 46.19 45.50 1jmk s LEU 187 CO 0.24 -0.08 0.32 0.00 0.23 0.00 0.00 176.35 177.06 1jmk s ALA 188 N -2.73 -0.69 0.98 4.21 0.00 -0.25 -4.69 121.76 118.58 1jmk s ALA 188 Ca 0.27 -0.19 -0.12 0.00 0.00 0.00 0.00 51.96 51.92 1jmk s ALA 188 Cb -0.02 0.55 0.18 0.00 0.00 0.00 0.00 23.12 23.82 1jmk s ALA 188 CO 0.12 -0.56 1.10 -1.54 0.00 0.00 0.00 175.76 174.89 1jmk s SER 189 N -2.65 2.86 0.00 0.00 1.04 -1.26 -1.52 113.70 112.16 1jmk s SER 189 Ca 0.02 1.12 0.22 0.00 0.48 0.00 0.00 55.95 57.79 1jmk s SER 189 Cb 0.02 -1.77 0.88 0.00 0.10 0.00 0.00 66.02 65.26 1jmk s SER 189 CO -0.10 -2.98 1.62 0.79 0.98 0.00 0.00 173.24 173.55 1jmk n TRP 190 N -4.07 0.14 -0.18 5.02 7.02 -1.26 -4.48 117.44 119.64 1jmk n TRP 190 Ca 0.06 -0.07 -0.04 0.00 -1.02 0.00 0.00 57.50 56.42 1jmk n TRP 190 Cb 0.58 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.49 1jmk n TRP 190 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1jmk h GLU 191 N 1.79 -0.12 -0.00 -0.99 4.81 -1.94 -0.91 114.58 117.22 1jmk h GLU 191 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1jmk h GLU 191 Cb 0.39 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1jmk h GLU 191 CO 0.00 -0.08 -0.09 0.39 -0.73 0.00 0.00 179.01 178.51 1jmk n GLU 192 N -5.42 0.55 0.00 1.92 4.71 -1.26 -3.75 120.64 117.38 1jmk n GLU 192 Ca 0.04 -0.14 0.14 0.00 -0.01 0.00 0.00 57.16 57.20 1jmk n GLU 192 Cb 0.33 -1.50 0.70 0.00 -1.01 0.00 0.00 31.44 29.96 1jmk n GLU 192 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1jmk n ALA 193 N -1.10 2.43 -2.89 0.62 0.00 -0.35 -4.79 120.51 114.43 1jmk n ALA 193 Ca 0.14 -0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 1jmk n ALA 193 Cb 0.27 -1.48 -0.12 0.00 0.00 0.00 0.00 19.45 18.12 1jmk n ALA 193 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1jmk s THR 194 N -2.75 0.25 -2.66 0.00 -1.32 -1.24 -0.81 115.64 107.12 1jmk s THR 194 Ca 0.22 -0.65 0.26 0.00 -1.21 0.00 0.00 61.69 60.31 1jmk s THR 194 Cb 0.20 -0.31 0.34 0.00 -1.51 0.00 0.00 72.50 71.21 1jmk s THR 194 CO 0.49 -0.26 1.48 0.35 -2.21 0.00 0.00 174.62 174.47 1jmk n THR 195 N 2.10 0.00 -0.81 5.08 -2.24 -0.66 -4.86 114.28 112.89 1jmk n THR 195 Ca -0.19 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 1jmk n THR 195 Cb 0.56 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 1jmk n THR 195 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jmk n GLY 196 N 1.28 1.63 3.86 3.38 0.00 -1.23 -5.04 105.19 109.06 1jmk n GLY 196 Ca 0.16 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 1jmk n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jmk s ALA 197 N -3.19 3.76 -0.21 4.61 0.00 -1.26 -4.97 121.76 120.50 1jmk s ALA 197 Ca 0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 51.96 51.53 1jmk s ALA 197 Cb 0.00 -2.23 -0.00 0.00 0.00 0.00 0.00 23.12 20.89 1jmk s ALA 197 CO 0.00 0.57 -0.08 -0.47 0.00 0.00 0.00 175.76 175.77 1jmk s TYR 198 N -1.25 2.91 -0.00 0.00 5.04 -1.26 -1.39 117.35 121.39 1jmk s TYR 198 Ca 0.27 -1.08 0.06 0.00 -2.44 0.00 0.00 57.07 53.89 1jmk s TYR 198 Cb -0.14 -2.05 -0.02 0.00 0.35 0.00 0.00 41.96 40.10 1jmk s TYR 198 CO 0.15 -0.58 -0.20 0.50 -1.34 0.00 0.00 175.55 174.07 1jmk s ARG 199 N 1.36 1.58 0.02 4.97 3.52 -0.01 -5.00 118.95 125.39 1jmk s ARG 199 Ca 0.04 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.88 1jmk s ARG 199 Cb -0.14 -1.56 -0.02 0.00 -1.56 0.00 0.00 34.95 31.67 1jmk s ARG 199 CO -0.05 0.42 -0.03 0.00 -0.81 0.00 0.00 175.30 174.83 1jmk s MET 200 N -0.62 0.33 -0.09 5.12 0.23 -1.26 0.44 119.30 123.45 1jmk s MET 200 Ca 0.08 -0.63 -0.08 0.00 -1.03 0.00 0.00 55.69 54.03 1jmk s MET 200 Cb -0.08 0.07 0.02 0.00 -1.53 0.00 0.00 34.83 33.32 1jmk s MET 200 CO -0.00 -0.04 0.24 0.21 -2.03 0.00 0.00 175.02 173.40 1jmk s LYS 201 N -1.48 0.28 0.02 3.16 2.20 -0.48 -4.95 119.74 118.49 1jmk s LYS 201 Ca -0.15 0.34 -0.30 0.00 -0.36 0.00 0.00 55.97 55.50 1jmk s LYS 201 Cb -0.10 0.13 -0.05 0.00 -1.51 0.00 0.00 37.83 36.30 1jmk s LYS 201 CO -0.01 -0.04 1.26 0.50 -0.36 0.00 0.00 175.35 176.70 1jmk s ARG 202 N 0.15 4.37 0.00 4.03 6.06 -1.26 -1.42 118.95 130.88 1jmk s ARG 202 Ca -0.00 1.81 0.00 0.00 -2.50 0.00 0.00 55.73 55.03 1jmk s ARG 202 Cb -0.02 -3.45 0.00 0.00 0.06 0.00 0.00 34.95 31.54 1jmk s ARG 202 CO 0.00 -0.40 0.00 0.41 -2.50 0.00 0.00 175.30 172.81 1jmk n GLY 203 N 3.38 3.24 3.48 8.12 0.00 0.32 -4.87 105.19 118.85 1jmk n GLY 203 Ca 0.11 -2.02 -0.28 0.00 0.00 0.00 0.00 46.02 43.83 1jmk n GLY 203 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jmk s PHE 204 N 1.87 2.45 0.00 1.61 0.40 -1.26 -3.32 117.98 119.73 1jmk s PHE 204 Ca 0.00 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.03 1jmk s PHE 204 Cb 0.00 -1.24 0.00 0.00 0.51 0.00 0.00 43.02 42.29 1jmk s PHE 204 CO 0.00 0.46 0.00 0.41 0.70 0.00 0.00 175.22 176.79 1jmk n GLY 205 N 0.38 -1.37 3.91 4.36 0.00 -1.26 -4.29 105.19 106.93 1jmk n GLY 205 Ca -0.13 -1.56 -0.27 0.00 0.00 0.00 0.00 46.02 44.05 1jmk n GLY 205 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jmk s THR 206 N -1.37 3.09 0.19 2.61 -4.23 -1.26 -0.09 115.64 114.57 1jmk s THR 206 Ca 0.00 0.01 -0.18 0.00 -1.18 0.00 0.00 61.69 60.33 1jmk s THR 206 Cb 0.00 -3.29 0.16 0.00 1.34 0.00 0.00 72.50 70.71 1jmk s THR 206 CO 0.00 -0.32 1.60 -0.74 -0.54 0.00 0.00 174.62 174.62 1jmk h HIS 207 N -0.45 -0.68 0.00 3.99 2.76 -1.95 -1.70 115.15 117.12 1jmk h HIS 207 Ca -0.45 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 57.78 1jmk h HIS 207 Cb 1.28 0.38 0.00 0.00 1.55 0.00 0.00 27.41 30.62 1jmk h HIS 207 CO 0.42 -0.34 0.00 0.00 -1.30 0.00 0.00 177.93 176.71 1jmk h ALA 208 N 1.22 1.00 -0.15 5.26 0.00 -2.00 -3.22 119.26 121.37 1jmk h ALA 208 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1jmk h ALA 208 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1jmk h ALA 208 CO -0.65 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 177.75 1jmk n GLU 209 N -2.71 1.59 -0.36 0.00 0.28 -0.68 -4.68 120.64 114.08 1jmk n GLU 209 Ca 0.01 -1.64 -0.01 0.00 -0.16 0.00 0.00 57.16 55.37 1jmk n GLU 209 Cb 0.27 -1.31 0.13 0.00 1.43 0.00 0.00 31.44 31.96 1jmk n GLU 209 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 1jmk h MET 210 N 2.90 1.20 -1.17 3.44 2.86 -1.47 -3.15 114.93 119.54 1jmk h MET 210 Ca 0.00 -0.07 -0.66 0.00 -2.06 0.00 0.00 59.70 56.91 1jmk h MET 210 Cb 0.68 -0.27 -0.33 0.00 0.06 0.00 0.00 31.60 31.74 1jmk h MET 210 CO 0.00 0.79 0.42 1.28 1.06 0.00 0.00 176.91 180.47 1jmk n LEU 211 N -4.46 6.85 -3.48 1.22 4.32 -1.26 -3.29 117.00 116.89 1jmk n LEU 211 Ca 0.13 -4.57 -0.13 0.00 -0.02 0.00 0.00 56.01 51.42 1jmk n LEU 211 Cb 0.08 -0.82 -0.03 0.00 -1.62 0.00 0.00 43.42 41.03 1jmk n LEU 211 CO 0.35 1.72 0.36 0.00 -1.22 0.00 0.00 177.39 178.60 1jmk s GLN 212 N -3.80 1.18 3.50 3.23 -2.07 -1.19 -4.69 119.66 115.82 1jmk s GLN 212 Ca 0.58 -0.35 0.00 0.00 -1.82 0.00 0.00 55.36 53.78 1jmk s GLN 212 Cb 0.47 0.54 0.00 0.00 -1.09 0.00 0.00 33.01 32.93 1jmk s GLN 212 CO -0.09 -0.48 0.00 0.41 -1.32 0.00 0.00 175.29 173.81 1jmk n GLY 213 N -0.04 0.73 0.21 2.60 0.00 -1.26 -2.21 105.19 105.22 1jmk n GLY 213 Ca -0.17 -0.76 0.08 0.00 0.00 0.00 0.00 46.02 45.16 1jmk n GLY 213 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1jmk h GLU 214 N 0.00 0.00 -0.62 1.61 4.57 -1.98 -2.55 114.58 115.61 1jmk h GLU 214 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1jmk h GLU 214 Cb 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 1jmk h GLU 214 CO 0.00 0.28 0.28 1.15 -1.18 0.00 0.00 179.01 179.55 1jmk h THR 215 N 0.00 1.21 -0.65 0.32 2.02 -1.82 -2.25 112.91 111.74 1jmk h THR 215 Ca -0.00 -0.59 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 1jmk h THR 215 Cb 0.68 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1jmk h THR 215 CO 0.04 0.24 0.27 0.25 0.37 0.00 0.00 175.52 176.69 1jmk h LEU 216 N 0.87 0.89 -0.59 2.58 5.85 -1.00 -1.41 115.31 122.50 1jmk h LEU 216 Ca 0.21 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.83 1jmk h LEU 216 Cb 0.11 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 1jmk h LEU 216 CO -0.03 0.81 0.29 0.44 -0.34 0.00 0.00 178.44 179.61 1jmk h ASP 217 N 0.91 0.39 -0.11 1.25 3.45 -1.41 0.10 116.42 121.00 1jmk h ASP 217 Ca 0.22 0.04 -0.06 0.00 0.43 0.00 0.00 57.03 57.66 1jmk h ASP 217 Cb 0.20 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 38.94 1jmk h ASP 217 CO -0.02 0.25 -0.18 0.03 -1.57 0.00 0.00 179.24 177.75 1jmk h ARG 218 N 0.53 0.32 -0.31 3.56 3.08 -1.33 -3.19 114.38 117.05 1jmk h ARG 218 Ca 0.28 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 1jmk h ARG 218 Cb 0.23 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1jmk h ARG 218 CO -0.21 0.78 -0.03 -0.91 -1.07 0.00 0.00 179.97 178.53 1jmk h ASN 219 N -0.11 0.45 -0.43 7.04 2.35 -1.05 -2.26 115.58 121.57 1jmk h ASN 219 Ca 0.01 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1jmk h ASN 219 Cb 0.76 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 1jmk h ASN 219 CO 0.04 0.55 0.26 0.00 -1.65 0.00 0.00 177.43 176.63 1jmk h ALA 220 N 1.51 1.61 -0.89 -0.83 0.00 -0.82 -1.13 119.26 118.70 1jmk h ALA 220 Ca 0.10 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1jmk h ALA 220 Cb 0.35 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1jmk h ALA 220 CO 0.01 0.33 0.58 0.78 0.00 0.00 0.00 179.25 180.96 1jmk h GLY 221 N 0.67 1.27 1.17 0.00 0.00 -1.39 -0.25 103.07 104.54 1jmk h GLY 221 Ca 0.16 -0.48 -0.17 0.00 0.00 0.00 0.00 47.33 46.84 1jmk h GLY 221 CO -0.03 0.47 -0.47 -2.22 0.00 0.00 0.00 176.54 174.29 1jmk h ILE 222 N 1.22 1.27 -0.75 2.60 2.04 -1.29 -2.25 117.51 120.34 1jmk h ILE 222 Ca 0.33 -1.65 -0.02 0.00 1.00 0.00 0.00 64.86 64.52 1jmk h ILE 222 Cb -0.12 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1jmk h ILE 222 CO -0.07 0.54 0.40 -0.07 0.00 0.00 0.00 178.15 178.96 1jmk h LEU 223 N 0.70 0.94 -1.24 1.44 3.38 -0.78 -0.72 115.31 119.03 1jmk h LEU 223 Ca 0.04 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1jmk h LEU 223 Cb 1.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1jmk h LEU 223 CO 0.11 0.77 -0.19 -0.07 0.09 0.00 0.00 178.44 179.15 1jmk h LEU 224 N 1.06 0.28 -0.31 1.67 3.38 -0.87 -0.26 115.31 120.25 1jmk h LEU 224 Ca 0.27 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1jmk h LEU 224 Cb 0.04 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1jmk h LEU 224 CO -0.04 0.49 0.11 -0.33 0.09 0.00 0.00 178.44 178.76 1jmk h GLU 225 N 0.26 0.47 -0.09 1.13 5.08 -0.57 0.97 114.58 121.83 1jmk h GLU 225 Ca 0.05 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1jmk h GLU 225 Cb 0.49 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1jmk h GLU 225 CO 0.03 0.50 0.01 0.74 -1.00 0.00 0.00 179.01 179.29 1jmk h PHE 226 N 0.35 0.02 -0.55 4.33 0.04 -0.61 -2.89 116.94 117.62 1jmk h PHE 226 Ca 0.10 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.84 1jmk h PHE 226 Cb 0.21 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 1jmk h PHE 226 CO -0.00 0.01 0.19 -0.07 -0.60 0.00 0.00 178.31 177.84 1jmk h LEU 227 N 0.05 0.75 -1.39 1.54 3.38 -0.87 -2.81 115.31 115.97 1jmk h LEU 227 Ca 0.04 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1jmk h LEU 227 Cb 0.03 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1jmk h LEU 227 CO -0.06 0.70 0.00 0.59 0.09 0.00 0.00 178.44 179.76 1jmk n ASN 228 N -4.31 1.87 -4.72 -0.43 3.02 0.32 -4.88 115.26 106.13 1jmk n ASN 228 Ca 0.04 -2.17 -0.41 0.00 -0.03 0.00 0.00 54.58 52.02 1jmk n ASN 228 Cb 0.18 -0.44 -0.04 0.00 -0.61 0.00 0.00 39.78 38.88 1jmk n ASN 228 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1jmk s THR 229 N -1.52 4.94 0.05 3.41 2.01 -1.06 -5.03 115.64 118.44 1jmk s THR 229 Ca 0.13 1.72 0.03 0.00 0.31 0.00 0.00 61.69 63.88 1jmk s THR 229 Cb 0.09 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 1jmk s THR 229 CO 0.05 0.23 -0.09 -1.10 -0.69 0.00 0.00 174.62 173.02 1jmk s GLN 230 N 0.80 0.62 0.00 4.92 -0.21 -1.26 -5.11 119.66 119.42 1jmk s GLN 230 Ca 0.44 -0.85 0.00 0.00 0.02 0.00 0.00 55.36 54.96 1jmk s GLN 230 Cb -0.19 -0.41 0.00 0.00 1.00 0.00 0.00 33.01 33.41 1jmk s GLN 230 CO 0.23 0.07 0.00 -2.37 -2.12 0.00 0.00 175.29 171.10