#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 1.89 0.11 -0.02 0.00 -1.26 -3.88 105.19 102.03 1jmk n GLY 3 Ca 0.00 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 1jmk n GLY 3 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jmk h SER 4 N 0.00 0.39 -4.38 1.61 0.02 -2.07 -3.49 113.55 105.63 1jmk h SER 4 Ca 0.00 -0.96 0.13 0.00 -0.84 0.00 0.00 61.79 60.12 1jmk h SER 4 Cb 0.00 -0.13 -0.18 0.00 0.14 0.00 0.00 62.40 62.23 1jmk h SER 4 CO 0.00 1.34 0.58 1.51 -1.14 0.00 0.00 176.83 179.12 1jmk s ASP 5 N -6.86 -0.32 0.15 3.07 1.47 -1.25 -5.04 116.67 107.89 1jmk s ASP 5 Ca -0.15 0.12 0.20 0.00 1.18 0.00 0.00 52.55 53.90 1jmk s ASP 5 Cb 0.00 0.31 -0.06 0.00 -0.34 0.00 0.00 42.92 42.84 1jmk s ASP 5 CO 0.81 -0.45 0.95 0.61 0.68 0.00 0.00 175.17 177.76 1jmk n GLY 6 N 0.09 -1.36 1.47 2.12 0.00 -1.26 -4.03 105.19 102.21 1jmk n GLY 6 Ca -0.07 -0.19 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 1jmk n GLY 6 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jmk n LEU 7 N -2.76 4.77 -4.73 0.99 7.99 -1.26 -4.89 117.00 117.11 1jmk n LEU 7 Ca -0.04 -2.37 -0.41 0.00 -0.01 0.00 0.00 56.01 53.18 1jmk n LEU 7 Cb 0.67 -0.81 -0.04 0.00 -0.11 0.00 0.00 43.42 43.13 1jmk n LEU 7 CO 0.41 0.84 0.78 -1.58 -1.51 0.00 0.00 177.39 176.33 1jmk s GLN 8 N -0.82 4.57 -0.32 3.23 0.74 -1.26 -3.38 119.66 122.43 1jmk s GLN 8 Ca 0.14 1.65 0.00 0.00 0.05 0.00 0.00 55.36 57.20 1jmk s GLN 8 Cb 0.11 -3.33 0.00 0.00 1.10 0.00 0.00 33.01 30.89 1jmk s GLN 8 CO 0.01 0.00 0.00 -0.25 -0.55 0.00 0.00 175.29 174.51 1jmk n ASP 9 N 3.01 -3.38 -3.85 6.67 8.00 -1.26 -5.01 116.55 120.72 1jmk n ASP 9 Ca 0.05 0.07 -0.12 0.00 0.71 0.00 0.00 54.79 55.50 1jmk n ASP 9 Cb 0.47 -1.14 -0.11 0.00 -0.02 0.00 0.00 41.12 40.32 1jmk n ASP 9 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1jmk s VAL 10 N -2.10 0.04 -0.12 2.53 0.11 -1.22 -0.82 120.40 118.82 1jmk s VAL 10 Ca 0.00 -0.33 0.01 0.00 -2.93 0.00 0.00 61.98 58.73 1jmk s VAL 10 Cb 0.00 -0.29 0.02 0.00 -1.53 0.00 0.00 36.38 34.58 1jmk s VAL 10 CO 0.00 -0.18 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.56 1jmk s THR 11 N -0.59 1.47 -0.14 5.04 2.01 0.31 -4.96 115.64 118.77 1jmk s THR 11 Ca -0.07 -0.61 -0.16 0.00 0.31 0.00 0.00 61.69 61.17 1jmk s THR 11 Cb -0.04 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1jmk s THR 11 CO 0.01 0.44 0.37 -0.63 -0.69 0.00 0.00 174.62 174.11 1jmk s ILE 12 N 1.16 5.26 0.12 1.82 -1.09 -1.26 -0.54 121.20 126.67 1jmk s ILE 12 Ca -0.03 0.72 0.10 0.00 -2.23 0.00 0.00 60.65 59.21 1jmk s ILE 12 Cb -0.14 -3.71 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 1jmk s ILE 12 CO -0.04 0.36 -0.25 -0.04 -1.23 0.00 0.00 174.94 173.74 1jmk s MET 13 N 0.53 1.33 -1.23 2.79 -1.94 0.81 -4.74 119.30 116.85 1jmk s MET 13 Ca 0.21 -1.30 -0.05 0.00 -1.71 0.00 0.00 55.69 52.83 1jmk s MET 13 Cb -0.14 -1.77 -0.01 0.00 2.01 0.00 0.00 34.83 34.92 1jmk s MET 13 CO 0.07 0.42 0.76 0.09 -0.01 0.00 0.00 175.02 176.34 1jmk n ASN 14 N 0.96 -2.86 0.19 3.03 5.03 -1.26 -1.32 115.26 119.03 1jmk n ASN 14 Ca -0.18 -0.84 0.13 0.00 0.87 0.00 0.00 54.58 54.56 1jmk n ASN 14 Cb 0.53 -4.13 0.68 0.00 -1.02 0.00 0.00 39.78 35.84 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 -1.75 0.00 -0.32 3.52 4.20 -1.91 -2.51 115.11 116.33 1jmk h GLN 15 Ca -0.62 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.09 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 0.53 0.00 0.00 -0.40 -0.67 0.00 0.00 178.83 178.29 1jmk n ASP 16 N -2.41 2.46 -4.93 1.46 5.75 -1.26 -4.92 116.55 112.69 1jmk n ASP 16 Ca -0.01 -1.88 -0.25 0.00 -0.01 0.00 0.00 54.79 52.64 1jmk n ASP 16 Cb 0.08 -0.21 -0.01 0.00 -1.03 0.00 0.00 41.12 39.95 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 -1.59 3.52 -0.20 0.11 -1.52 -0.95 -5.05 119.66 113.98 1jmk s GLN 17 Ca 0.34 -0.18 -0.02 0.00 -1.95 0.00 0.00 55.36 53.55 1jmk s GLN 17 Cb 0.19 -2.60 -0.21 0.00 -0.22 0.00 0.00 33.01 30.17 1jmk s GLN 17 CO 0.27 0.09 0.01 0.39 -0.25 0.00 0.00 175.29 175.80 1jmk n GLU 18 N -1.76 0.69 -2.49 2.91 1.02 -1.26 -4.65 120.64 115.10 1jmk n GLU 18 Ca -0.03 0.20 -0.43 0.00 -0.02 0.00 0.00 57.16 56.88 1jmk n GLU 18 Cb 0.56 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 30.35 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 -2.53 4.32 -0.09 3.49 -0.21 -1.26 -4.88 119.66 118.49 1jmk s GLN 19 Ca -0.30 1.61 -0.03 0.00 0.02 0.00 0.00 55.36 56.66 1jmk s GLN 19 Cb 0.08 -3.62 -0.04 0.00 1.00 0.00 0.00 33.01 30.44 1jmk s GLN 19 CO 0.67 -0.52 0.04 0.42 -2.12 0.00 0.00 175.29 173.78 1jmk s ILE 20 N 2.63 4.67 -0.12 1.08 1.01 -1.26 0.43 121.20 129.64 1jmk s ILE 20 Ca 0.54 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 61.09 1jmk s ILE 20 Cb -0.22 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.26 1jmk s ILE 20 CO 0.18 0.60 -0.21 -0.63 0.00 0.00 0.00 174.94 174.88 1jmk s ILE 21 N -0.94 1.93 -0.37 2.92 1.01 0.01 -4.38 121.20 121.38 1jmk s ILE 21 Ca 0.14 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 59.72 1jmk s ILE 21 Cb -0.12 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.66 1jmk s ILE 21 CO 0.03 0.53 0.35 -0.36 0.00 0.00 0.00 174.94 175.49 1jmk s PHE 22 N 0.68 3.21 -0.15 3.97 0.40 -0.33 -1.40 117.98 124.35 1jmk s PHE 22 Ca -0.11 -0.23 -0.04 0.00 -0.60 0.00 0.00 56.93 55.94 1jmk s PHE 22 Cb -0.16 -2.68 -0.03 0.00 0.51 0.00 0.00 43.02 40.66 1jmk s PHE 22 CO 0.02 -0.51 -0.01 0.00 0.70 0.00 0.00 175.22 175.42 1jmk s ALA 23 N 1.94 3.12 -0.14 5.36 0.00 -0.49 -0.74 121.76 130.80 1jmk s ALA 23 Ca 0.10 -0.80 -0.09 0.00 0.00 0.00 0.00 51.96 51.17 1jmk s ALA 23 Cb -0.17 -1.62 -0.04 0.00 0.00 0.00 0.00 23.12 21.28 1jmk s ALA 23 CO 0.12 0.25 0.16 -0.06 0.00 0.00 0.00 175.76 176.23 1jmk s PHE 24 N 0.23 3.53 0.87 0.00 0.40 0.15 -1.11 117.98 122.04 1jmk s PHE 24 Ca -0.01 0.49 -0.11 0.00 -0.60 0.00 0.00 56.93 56.70 1jmk s PHE 24 Cb -0.13 -2.07 0.11 0.00 0.51 0.00 0.00 43.02 41.44 1jmk s PHE 24 CO 0.02 0.54 1.10 -1.25 0.70 0.00 0.00 175.22 176.33 1jmk s PRO 25 N -0.43 1.47 1.13 0.24 0.04 -1.25 -3.82 135.00 132.38 1jmk s PRO 25 Ca 0.13 1.20 -0.19 0.00 0.04 0.00 0.00 61.00 62.18 1jmk s PRO 25 Cb -0.12 -1.80 0.27 0.00 0.04 0.00 0.00 34.50 32.89 1jmk s PRO 25 CO 0.02 -2.20 1.23 -1.25 0.04 0.00 0.00 177.00 174.84 1jmk s PRO 26 N -4.80 -0.68 0.61 0.56 0.04 -1.24 -1.75 135.00 127.74 1jmk s PRO 26 Ca 0.64 -0.35 0.29 0.00 0.04 0.00 0.00 61.00 61.62 1jmk s PRO 26 Cb -0.20 -1.69 1.59 0.00 0.04 0.00 0.00 34.50 34.24 1jmk s PRO 26 CO 0.57 -3.30 1.96 -0.24 0.04 0.00 0.00 177.00 176.03 1jmk h VAL 27 N -2.28 0.28 0.00 -0.36 3.04 -1.91 -0.72 116.25 114.30 1jmk h VAL 27 Ca -0.43 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.23 1jmk h VAL 27 Cb 1.25 0.69 -0.00 0.00 -2.01 0.00 0.00 31.29 31.22 1jmk h VAL 27 CO 0.30 0.00 -0.12 -0.07 -1.01 0.00 0.00 177.57 176.67 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 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1jmk h LEU 28 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1jmk h LEU 28 CO -0.00 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.26 1jmk n GLY 29 N -1.05 0.64 3.27 0.83 0.00 -0.28 -3.55 105.19 105.06 1jmk n GLY 29 Ca -0.02 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 -2.20 2.77 0.50 1.61 1.51 -1.26 -0.17 117.35 120.12 1jmk s TYR 30 Ca 0.00 -1.02 0.34 0.00 -1.01 0.00 0.00 57.07 55.38 1jmk s TYR 30 Cb 0.00 -1.88 1.84 0.00 -0.11 0.00 0.00 41.96 41.81 1jmk s TYR 30 CO 0.00 -0.46 2.20 0.78 -1.11 0.00 0.00 175.55 176.97 1jmk h GLY 31 N 7.24 0.00 1.92 0.71 0.00 -1.68 -2.60 103.07 108.65 1jmk h GLY 31 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1jmk h GLY 31 CO 0.56 0.00 0.04 1.41 0.00 0.00 0.00 176.54 178.55 1jmk h LEU 32 N 0.00 0.00 -0.39 3.11 3.38 -1.87 -0.83 115.31 118.71 1jmk h LEU 32 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jmk h LEU 32 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1jmk h LEU 32 CO 0.01 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.77 1jmk n MET 33 N -2.76 0.06 -0.26 1.13 2.81 -0.98 -1.66 117.12 115.46 1jmk n MET 33 Ca -0.02 0.43 0.11 0.00 -1.81 0.00 0.00 57.70 56.40 1jmk n MET 33 Cb 0.09 -1.65 0.27 0.00 -0.71 0.00 0.00 33.22 31.22 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 -1.78 0.69 -0.22 2.03 0.53 -0.32 -4.45 117.16 113.63 1jmk n TYR 34 Ca 0.01 -0.34 -0.04 0.00 -1.02 0.00 0.00 57.90 56.51 1jmk n TYR 34 Cb 0.11 0.00 0.07 0.00 -1.03 0.00 0.00 39.34 38.49 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 3.74 0.73 -0.45 -0.72 5.75 -1.51 -0.43 115.11 122.23 1jmk h GLN 35 Ca 0.00 -0.04 -0.14 0.00 -0.15 0.00 0.00 58.65 58.31 1jmk h GLN 35 Cb 0.84 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.22 1jmk h GLN 35 CO 0.00 0.48 -0.28 -0.91 -2.65 0.00 0.00 178.83 175.47 1jmk h ASN 36 N 0.75 1.02 -0.85 -0.69 2.35 -1.83 -2.76 115.58 113.56 1jmk h ASN 36 Ca 0.26 -0.42 0.05 0.00 -0.55 0.00 0.00 56.30 55.65 1jmk h ASN 36 Cb 0.05 -0.28 -0.06 0.00 0.05 0.00 0.00 38.32 38.08 1jmk h ASN 36 CO -0.12 1.22 0.54 0.25 -1.65 0.00 0.00 177.43 177.67 1jmk h LEU 37 N 0.83 0.86 -1.66 1.61 5.85 -1.71 -2.03 115.31 119.06 1jmk h LEU 37 Ca 0.09 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.90 1jmk h LEU 37 Cb 0.87 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1jmk h LEU 37 CO 0.08 0.56 0.36 0.77 -0.34 0.00 0.00 178.44 179.87 1jmk h SER 38 N 1.00 0.36 0.87 1.25 4.64 -0.79 0.74 113.55 121.62 1jmk h SER 38 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1jmk h SER 38 Cb 0.11 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1jmk h SER 38 CO -0.15 0.23 0.00 0.77 -0.87 0.00 0.00 176.83 176.81 1jmk h SER 39 N 0.41 0.00 0.13 4.97 4.64 -1.29 -2.31 113.55 120.10 1jmk h SER 39 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1jmk h SER 39 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1jmk h SER 39 CO -0.06 0.00 -0.40 0.54 -0.87 0.00 0.00 176.83 176.03 1jmk n ARG 40 N -2.69 0.91 -2.88 4.77 3.00 0.23 -4.20 116.66 115.80 1jmk n ARG 40 Ca 0.01 -0.66 -0.24 0.00 -0.01 0.00 0.00 57.85 56.96 1jmk n ARG 40 Cb 0.27 -1.49 -0.02 0.00 0.00 0.00 0.00 32.46 31.22 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 -0.47 3.54 0.10 0.55 4.77 -0.87 -4.92 117.00 119.70 1jmk n LEU 41 Ca 0.10 -5.30 0.19 0.00 -0.03 0.00 0.00 56.01 50.98 1jmk n LEU 41 Cb 0.40 -0.20 0.75 0.00 -2.33 0.00 0.00 43.42 42.04 1jmk n LEU 41 CO 0.28 2.26 1.17 1.55 -1.33 0.00 0.00 177.39 181.32 1jmk h PRO 42 N 2.91 0.00 -0.33 3.23 0.13 -1.73 -1.84 132.00 134.36 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 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1jmk h PRO 42 CO 0.73 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.37 1jmk n SER 43 N -3.92 2.06 -4.24 1.44 3.41 -1.26 -4.87 113.62 106.24 1jmk n SER 43 Ca 0.06 -1.91 -0.28 0.00 -0.26 0.00 0.00 58.87 56.48 1jmk n SER 43 Cb 0.53 -0.22 -0.16 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.56 1.99 -0.19 7.33 1.51 -0.69 -4.45 117.35 121.28 1jmk s TYR 44 Ca 0.29 -0.39 -0.19 0.00 -1.01 0.00 0.00 57.07 55.77 1jmk s TYR 44 Cb 0.15 -1.28 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 1jmk s TYR 44 CO 0.21 -0.05 0.55 0.21 -1.11 0.00 0.00 175.55 175.36 1jmk s LYS 45 N -0.48 4.22 -0.21 -0.62 2.20 0.17 -4.67 119.74 120.34 1jmk s LYS 45 Ca 0.07 0.48 -0.07 0.00 -0.36 0.00 0.00 55.97 56.09 1jmk s LYS 45 Cb -0.09 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.65 1jmk s LYS 45 CO -0.01 -0.14 0.06 -0.51 -0.36 0.00 0.00 175.35 174.40 1jmk s LEU 46 N 1.58 3.60 -0.53 5.43 1.43 -0.43 -0.81 118.68 128.95 1jmk s LEU 46 Ca 0.26 -0.07 -0.09 0.00 -1.03 0.00 0.00 54.13 53.19 1jmk s LEU 46 Cb -0.16 -1.93 0.13 0.00 0.03 0.00 0.00 46.19 44.27 1jmk s LEU 46 CO 0.10 0.07 0.40 0.00 0.23 0.00 0.00 176.35 177.15 1jmk s ALA 48 N 1.10 3.42 0.51 0.00 0.00 0.30 -1.40 121.76 125.68 1jmk s ALA 48 Ca 0.08 -1.14 -0.14 0.00 0.00 0.00 0.00 51.96 50.76 1jmk s ALA 48 Cb -0.24 -3.14 -0.07 0.00 0.00 0.00 0.00 23.12 19.67 1jmk s ALA 48 CO -0.02 -1.49 0.94 -0.06 0.00 0.00 0.00 175.76 175.14 1jmk s PHE 49 N 2.54 3.48 0.33 0.00 0.08 -0.27 -0.53 117.98 123.61 1jmk s PHE 49 Ca 0.20 1.35 0.06 0.00 0.12 0.00 0.00 56.93 58.66 1jmk s PHE 49 Cb -0.15 -2.70 -0.01 0.00 -0.57 0.00 0.00 43.02 39.58 1jmk s PHE 49 CO 0.15 -0.36 0.45 -0.51 -0.10 0.00 0.00 175.22 174.86 1jmk s ASP 50 N -3.25 5.98 0.01 1.36 1.01 0.00 -2.23 116.67 119.55 1jmk s ASP 50 Ca 0.57 -0.17 -0.30 0.00 0.71 0.00 0.00 52.55 53.35 1jmk s ASP 50 Cb -0.10 -1.28 -0.04 0.00 1.01 0.00 0.00 42.92 42.50 1jmk s ASP 50 CO 0.34 -0.39 1.16 0.12 0.21 0.00 0.00 175.17 176.61 1jmk s PHE 51 N -2.16 3.38 -0.31 4.23 5.36 0.76 -4.90 117.98 124.35 1jmk s PHE 51 Ca 0.44 1.33 -0.17 0.00 -0.96 0.00 0.00 56.93 57.57 1jmk s PHE 51 Cb -0.09 -3.37 -0.02 0.00 -0.34 0.00 0.00 43.02 39.20 1jmk s PHE 51 CO 0.31 -1.08 0.48 0.42 -1.46 0.00 0.00 175.22 173.88 1jmk s ILE 52 N 1.49 5.07 0.16 3.12 1.01 -1.26 -4.97 121.20 125.82 1jmk s ILE 52 Ca 0.56 0.54 0.13 0.00 0.00 0.00 0.00 60.65 61.89 1jmk s ILE 52 Cb -0.26 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.35 1jmk s ILE 52 CO 0.26 -0.04 1.57 -0.33 0.00 0.00 0.00 174.94 176.40 1jmk h GLU 53 N 8.27 0.00 -6.98 2.79 5.08 -1.97 -3.44 114.58 118.33 1jmk h GLU 53 Ca -0.29 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.51 1jmk h GLU 53 Cb 1.14 0.00 0.17 0.00 0.50 0.00 0.00 28.75 30.56 1jmk h GLU 53 CO 0.72 0.60 0.24 0.39 -1.00 0.00 0.00 179.01 179.96 1jmk n GLU 54 N -3.57 0.75 0.27 2.33 4.71 -1.26 -4.90 120.64 118.98 1jmk n GLU 54 Ca -0.00 0.31 0.12 0.00 -0.01 0.00 0.00 57.16 57.58 1jmk n GLU 54 Cb 0.65 -2.31 0.78 0.00 -1.01 0.00 0.00 31.44 29.55 1jmk n GLU 54 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1jmk h GLU 55 N 0.10 0.00 -1.02 3.49 5.08 -2.06 -2.14 114.58 118.03 1jmk h GLU 55 Ca -0.49 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.38 1jmk h GLU 55 Cb 1.34 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.32 1jmk h GLU 55 CO 0.49 0.05 0.63 -0.40 -1.00 0.00 0.00 179.01 178.78 1jmk n ASP 56 N -3.97 4.45 -0.23 1.42 3.85 -1.26 -4.62 116.55 116.20 1jmk n ASP 56 Ca -0.03 -3.47 0.13 0.00 -0.71 0.00 0.00 54.79 50.71 1jmk n ASP 56 Cb 0.14 -0.84 0.42 0.00 -1.35 0.00 0.00 41.12 39.49 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 1.10 0.58 -0.44 0.11 0.11 -1.67 -1.53 114.38 112.63 1jmk h ARG 57 Ca 0.56 -0.03 -0.08 0.00 0.10 0.00 0.00 59.98 60.53 1jmk h ARG 57 Cb 2.29 -0.13 -0.02 0.00 1.11 0.00 0.00 29.97 33.22 1jmk h ARG 57 CO 1.08 0.38 -0.07 -0.07 0.10 0.00 0.00 179.97 181.39 1jmk h LEU 58 N 0.59 0.73 -0.83 0.08 3.38 -1.87 0.84 115.31 118.23 1jmk h LEU 58 Ca 0.42 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 1jmk h LEU 58 Cb 0.75 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1jmk h LEU 58 CO -0.17 0.85 -0.23 0.44 0.09 0.00 0.00 178.44 179.41 1jmk h ASP 59 N 0.69 0.62 -0.35 -0.43 5.19 -1.66 -1.28 116.42 119.21 1jmk h ASP 59 Ca 0.13 -0.21 -0.12 0.00 -0.62 0.00 0.00 57.03 56.20 1jmk h ASP 59 Cb 0.53 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 1jmk h ASP 59 CO 0.03 0.84 -0.27 0.03 -3.12 0.00 0.00 179.24 176.75 1jmk h ARG 60 N 0.54 0.79 -0.40 3.56 3.08 -0.98 -1.89 114.38 119.10 1jmk h ARG 60 Ca 0.08 -0.39 -0.05 0.00 0.07 0.00 0.00 59.98 59.68 1jmk h ARG 60 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1jmk h ARG 60 CO 0.05 1.02 0.04 1.88 -1.07 0.00 0.00 179.97 181.89 1jmk h TYR 61 N 0.58 0.73 -0.73 3.04 0.05 -0.70 -1.64 116.97 118.29 1jmk h TYR 61 Ca 0.06 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.73 1jmk h TYR 61 Cb 0.84 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 38.35 1jmk h TYR 61 CO 0.06 0.73 0.45 0.00 -1.05 0.00 0.00 178.16 178.36 1jmk h ALA 62 N 0.90 1.42 -0.48 3.88 0.00 -1.19 -0.04 119.26 123.76 1jmk h ALA 62 Ca 0.12 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1jmk h ALA 62 Cb 0.42 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1jmk h ALA 62 CO 0.01 0.51 -0.04 0.22 0.00 0.00 0.00 179.25 179.96 1jmk h ASP 63 N 1.00 0.87 -0.56 0.00 1.82 -1.12 0.00 116.42 118.43 1jmk h ASP 63 Ca 0.27 -0.33 -0.06 0.00 -0.39 0.00 0.00 57.03 56.52 1jmk h ASP 63 Cb -0.06 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 39.69 1jmk h ASP 63 CO -0.05 0.98 0.11 -0.07 -1.61 0.00 0.00 179.24 178.60 1jmk h LEU 64 N 0.73 0.88 -0.60 2.28 3.38 -0.60 -2.14 115.31 119.24 1jmk h LEU 64 Ca 0.13 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1jmk h LEU 64 Cb 0.56 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1jmk h LEU 64 CO 0.03 0.91 0.02 0.40 0.09 0.00 0.00 178.44 179.89 1jmk h ILE 65 N 0.82 1.26 -0.32 1.22 2.04 -0.86 -0.28 117.51 121.40 1jmk h ILE 65 Ca 0.17 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 1jmk h ILE 65 Cb 0.39 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1jmk h ILE 65 CO 0.01 0.41 0.12 -0.61 0.00 0.00 0.00 178.15 178.08 1jmk h GLN 66 N 0.94 0.45 0.11 2.37 5.75 -0.79 0.13 115.11 124.07 1jmk h GLN 66 Ca 0.17 -0.05 -0.29 0.00 -0.15 0.00 0.00 58.65 58.33 1jmk h GLN 66 Cb 0.53 -0.09 0.02 0.00 1.07 0.00 0.00 27.48 29.02 1jmk h GLN 66 CO 0.03 0.38 -1.21 0.87 -2.65 0.00 0.00 178.83 176.24 1jmk h LYS 67 N 0.45 0.53 0.01 1.69 1.57 -0.96 -2.45 116.57 117.41 1jmk h LYS 67 Ca 0.11 -0.72 -0.20 0.00 -1.87 0.00 0.00 60.65 57.98 1jmk h LYS 67 Cb 0.10 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1jmk h LYS 67 CO -0.01 1.31 -0.91 -0.07 -0.57 0.00 0.00 179.45 179.21 1jmk h LEU 68 N 0.23 0.16 -5.74 2.94 3.38 -0.62 -3.40 115.31 112.26 1jmk h LEU 68 Ca -0.17 -0.14 -0.39 0.00 0.09 0.00 0.00 57.88 57.27 1jmk h LEU 68 Cb 1.89 -0.05 -0.28 0.00 0.09 0.00 0.00 40.66 42.31 1jmk h LEU 68 CO 0.22 0.98 -0.76 1.67 0.09 0.00 0.00 178.44 180.64 1jmk n GLN 69 N -3.58 0.35 0.26 1.13 7.27 0.42 -5.03 117.38 118.21 1jmk n GLN 69 Ca -0.03 -2.66 0.13 0.00 0.07 0.00 0.00 57.00 54.52 1jmk n GLN 69 Cb 0.84 -1.57 0.80 0.00 2.41 0.00 0.00 30.24 32.72 1jmk n GLN 69 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1jmk h PRO 70 N 5.31 0.00 -4.99 3.69 0.13 -1.59 -3.42 132.00 131.14 1jmk h PRO 70 Ca 0.17 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.94 1jmk h PRO 70 Cb 1.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.98 1jmk h PRO 70 CO 0.21 0.00 -0.65 -1.21 -0.23 0.00 0.00 178.00 176.13 1jmk s GLU 71 N -4.80 1.32 0.00 0.86 2.02 -1.26 -5.01 118.70 111.83 1jmk s GLU 71 Ca -0.05 -1.68 0.00 0.00 0.02 0.00 0.00 54.97 53.27 1jmk s GLU 71 Cb 0.16 -0.48 0.00 0.00 0.10 0.00 0.00 34.13 33.91 1jmk s GLU 71 CO 0.60 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 176.13 1jmk n GLY 72 N -0.40 -1.01 3.77 -1.39 0.00 -1.26 -4.95 105.19 99.94 1jmk n GLY 72 Ca -0.04 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 43.95 1jmk n GLY 72 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1jmk s PRO 73 N -2.14 3.99 0.01 1.61 0.02 -1.26 -4.64 135.00 132.59 1jmk s PRO 73 Ca 0.00 2.01 0.01 0.00 0.02 0.00 0.00 61.00 63.03 1jmk s PRO 73 Cb 0.00 -2.71 -0.04 0.00 0.02 0.00 0.00 34.50 31.77 1jmk s PRO 73 CO 0.00 -0.43 0.06 -0.51 -0.33 0.00 0.00 177.00 175.79 1jmk s LEU 74 N -2.48 3.76 -0.17 -5.54 1.43 -0.07 -4.83 118.68 110.78 1jmk s LEU 74 Ca 0.57 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.75 1jmk s LEU 74 Cb -0.35 -2.23 0.02 0.00 0.03 0.00 0.00 46.19 43.66 1jmk s LEU 74 CO 0.44 0.26 -0.19 -0.89 0.23 0.00 0.00 176.35 176.20 1jmk s THR 75 N -1.20 1.96 0.25 5.49 2.01 -1.26 -0.63 115.64 122.25 1jmk s THR 75 Ca 0.23 -0.88 0.08 0.00 0.31 0.00 0.00 61.69 61.43 1jmk s THR 75 Cb -0.12 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1jmk s THR 75 CO 0.14 0.52 0.08 -0.76 -0.69 0.00 0.00 174.62 173.92 1jmk s LEU 76 N 1.28 3.48 -0.03 4.42 1.43 -0.69 -1.19 118.68 127.39 1jmk s LEU 76 Ca 0.04 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.63 1jmk s LEU 76 Cb -0.13 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.07 1jmk s LEU 76 CO -0.11 -0.00 0.15 0.12 0.23 0.00 0.00 176.35 176.73 1jmk s PHE 77 N -2.16 -0.06 0.05 0.29 5.36 0.08 -0.78 117.98 120.78 1jmk s PHE 77 Ca 0.32 0.12 -0.16 0.00 -0.96 0.00 0.00 56.93 56.25 1jmk s PHE 77 Cb -0.07 0.00 0.03 0.00 -0.34 0.00 0.00 43.02 42.63 1jmk s PHE 77 CO 0.22 -0.20 0.36 0.20 -1.46 0.00 0.00 175.22 174.34 1jmk s GLY 78 N -0.74 -0.20 -0.05 13.12 0.00 -0.06 -0.68 107.32 118.72 1jmk s GLY 78 Ca -0.08 0.11 -0.04 0.00 0.00 0.00 0.00 44.72 44.71 1jmk s GLY 78 CO 0.01 -0.13 0.12 -0.47 0.00 0.00 0.00 173.10 172.63 1jmk s TYR 79 N -2.71 -0.14 0.00 1.90 5.04 -1.25 -0.96 117.35 119.23 1jmk s TYR 79 Ca -0.04 0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.93 1jmk s TYR 79 Cb -0.00 0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.34 1jmk s TYR 79 CO -0.04 -0.07 0.00 0.45 -1.34 0.00 0.00 175.55 174.54 1jmk n SER 80 N 3.14 0.00 0.33 4.32 2.88 -1.22 -1.11 113.62 121.95 1jmk n SER 80 Ca -0.14 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.61 1jmk n SER 80 Cb 0.58 0.00 1.14 0.00 -0.75 0.00 0.00 64.21 65.18 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 -0.91 1.14 0.00 -1.46 0.00 -1.86 -0.92 119.26 115.25 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 -0.03 -0.04 0.78 0.00 0.00 0.00 179.25 179.96 1jmk h GLY 82 N 0.00 0.00 0.93 0.00 0.00 -0.26 -2.41 103.07 101.32 1jmk h GLY 82 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1jmk h GLY 82 CO -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.53 1jmk h SER 84 N 0.47 1.04 -0.53 0.00 4.64 -1.62 -1.64 113.55 115.92 1jmk h SER 84 Ca 0.10 -0.35 -0.08 0.00 -0.47 0.00 0.00 61.79 60.99 1jmk h SER 84 Cb 0.48 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1jmk h SER 84 CO 0.02 1.15 0.05 0.25 -0.87 0.00 0.00 176.83 177.43 1jmk h LEU 85 N 0.91 0.92 -0.85 5.97 5.85 -1.31 -1.45 115.31 125.34 1jmk h LEU 85 Ca 0.14 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 1jmk h LEU 85 Cb 0.69 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1jmk h LEU 85 CO 0.05 0.95 0.05 0.00 -0.34 0.00 0.00 178.44 179.15 1jmk h ALA 86 N 1.15 1.05 -0.35 1.25 0.00 -0.56 0.60 119.26 122.40 1jmk h ALA 86 Ca 0.17 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1jmk h ALA 86 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1jmk h ALA 86 CO 0.02 0.60 0.07 0.35 0.00 0.00 0.00 179.25 180.30 1jmk h PHE 87 N 0.85 0.60 -0.49 0.00 3.57 -0.93 0.06 116.94 120.59 1jmk h PHE 87 Ca 0.17 -0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 1jmk h PHE 87 Cb 0.44 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1jmk h PHE 87 CO 0.03 0.61 -0.00 0.93 -2.23 0.00 0.00 178.31 177.65 1jmk h GLU 88 N 0.41 0.82 -0.38 1.11 4.39 -0.98 -1.79 114.58 118.17 1jmk h GLU 88 Ca 0.11 -0.22 -0.11 0.00 0.34 0.00 0.00 59.36 59.47 1jmk h GLU 88 Cb 0.32 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1jmk h GLU 88 CO 0.00 0.82 -0.22 0.00 -1.16 0.00 0.00 179.01 178.45 1jmk h ALA 89 N 1.23 0.90 -0.51 3.43 0.00 -0.70 -1.99 119.26 121.63 1jmk h ALA 89 Ca 0.15 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1jmk h ALA 89 Cb 0.46 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1jmk h ALA 89 CO 0.02 0.62 0.18 0.00 0.00 0.00 0.00 179.25 180.07 1jmk h ALA 90 N 1.10 0.67 -0.79 0.00 0.00 -0.48 0.14 119.26 119.90 1jmk h ALA 90 Ca 0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1jmk h ALA 90 Cb 0.72 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1jmk h ALA 90 CO 0.06 0.31 0.36 0.87 0.00 0.00 0.00 179.25 180.85 1jmk h LYS 91 N 0.70 1.15 0.05 0.00 1.57 -1.18 0.35 116.57 119.21 1jmk h LYS 91 Ca 0.17 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1jmk h LYS 91 Cb 0.25 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1jmk h LYS 91 CO -0.01 0.90 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.53 1jmk h LYS 92 N 1.14 -0.06 -0.57 3.15 1.63 -0.90 -0.79 116.57 120.17 1jmk h LYS 92 Ca 0.27 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.05 1jmk h LYS 92 Cb 0.14 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 1jmk h LYS 92 CO -0.03 0.02 0.25 -0.07 -3.45 0.00 0.00 179.45 176.18 1jmk h LEU 93 N -0.14 0.76 -1.12 5.20 3.38 -0.68 -2.25 115.31 120.46 1jmk h LEU 93 Ca -0.01 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1jmk h LEU 93 Cb 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1jmk h LEU 93 CO 0.01 0.70 -0.24 -0.33 0.09 0.00 0.00 178.44 178.67 1jmk h GLU 94 N 0.77 0.32 0.00 1.13 5.08 -0.87 -1.43 114.58 119.59 1jmk h GLU 94 Ca 0.19 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1jmk h GLU 94 Cb 0.15 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1jmk h GLU 94 CO -0.02 0.55 0.00 0.78 -1.00 0.00 0.00 179.01 179.32 1jmk h GLY 95 N 0.97 0.00 -0.31 -3.84 0.00 -0.67 -1.81 103.07 97.41 1jmk h GLY 95 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1jmk h GLY 95 CO 0.04 0.00 -0.34 -1.06 0.00 0.00 0.00 176.54 175.18 1jmk n GLN 96 N -2.52 1.03 -0.04 4.80 6.02 -0.61 -4.95 117.38 121.10 1jmk n GLN 96 Ca 0.02 -0.73 0.00 0.00 -0.01 0.00 0.00 57.00 56.28 1jmk n GLN 96 Cb 0.26 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.04 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 1.37 0.72 3.87 1.08 0.00 -0.68 -5.08 105.19 106.46 1jmk n GLY 97 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.96 3.79 -0.25 1.61 1.81 -0.75 -5.00 118.95 119.20 1jmk s ARG 98 Ca 0.00 0.55 -0.11 0.00 -1.72 0.00 0.00 55.73 54.45 1jmk s ARG 98 Cb 0.00 -2.33 -0.05 0.00 -0.45 0.00 0.00 34.95 32.12 1jmk s ARG 98 CO 0.00 -0.11 0.19 0.42 -0.68 0.00 0.00 175.30 175.12 1jmk s ILE 99 N -2.47 5.33 -0.36 1.52 1.01 -1.26 -4.10 121.20 120.87 1jmk s ILE 99 Ca 0.53 0.22 -0.09 0.00 0.00 0.00 0.00 60.65 61.30 1jmk s ILE 99 Cb -0.10 -3.53 0.03 0.00 0.01 0.00 0.00 42.46 38.87 1jmk s ILE 99 CO 0.33 0.31 0.17 -0.69 0.00 0.00 0.00 174.94 175.05 1jmk s VAL 100 N 1.32 4.27 0.12 2.92 1.01 -1.26 -0.89 120.40 127.89 1jmk s VAL 100 Ca 0.08 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.98 1jmk s VAL 100 Cb -0.14 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 1jmk s VAL 100 CO 0.07 -0.20 1.48 -0.61 0.00 0.00 0.00 175.10 175.83 1jmk h GLN 101 N 8.35 0.80 -2.29 2.72 4.15 -1.20 -3.32 115.11 124.33 1jmk h GLN 101 Ca -0.25 -0.37 0.06 0.00 0.77 0.00 0.00 58.65 58.86 1jmk h GLN 101 Cb 1.10 -0.01 -0.16 0.00 0.21 0.00 0.00 27.48 28.61 1jmk h GLN 101 CO 0.64 1.00 0.41 -0.98 -1.93 0.00 0.00 178.83 177.97 1jmk s ARG 102 N -4.54 0.91 -0.11 1.69 1.70 -1.21 -2.27 118.95 115.12 1jmk s ARG 102 Ca -0.12 -0.20 0.02 0.00 -0.47 0.00 0.00 55.73 54.95 1jmk s ARG 102 Cb 0.10 0.42 0.02 0.00 -0.57 0.00 0.00 34.95 34.92 1jmk s ARG 102 CO 0.84 -0.37 -0.15 0.42 -1.08 0.00 0.00 175.30 174.96 1jmk s ILE 103 N -2.72 1.48 -0.23 4.99 1.01 -0.29 -1.70 121.20 123.74 1jmk s ILE 103 Ca 0.01 -0.63 -0.09 0.00 0.00 0.00 0.00 60.65 59.94 1jmk s ILE 103 Cb -0.01 -1.36 -0.05 0.00 0.01 0.00 0.00 42.46 41.06 1jmk s ILE 103 CO -0.06 0.44 0.13 -0.63 0.00 0.00 0.00 174.94 174.82 1jmk s ILE 104 N 1.03 5.11 -0.06 2.92 1.01 0.04 -1.32 121.20 129.93 1jmk s ILE 104 Ca -0.06 0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.72 1jmk s ILE 104 Cb -0.15 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 1jmk s ILE 104 CO -0.02 0.37 -0.17 -0.04 0.00 0.00 0.00 174.94 175.07 1jmk s MET 105 N 0.98 2.61 -0.36 2.79 -1.94 0.16 -0.88 119.30 122.65 1jmk s MET 105 Ca 0.06 -0.76 -0.04 0.00 -1.71 0.00 0.00 55.69 53.25 1jmk s MET 105 Cb -0.13 -2.35 0.07 0.00 2.01 0.00 0.00 34.83 34.43 1jmk s MET 105 CO 0.04 0.51 0.13 0.08 -0.01 0.00 0.00 175.02 175.77 1jmk s VAL 106 N -0.44 3.44 -1.61 -6.03 1.01 -0.14 -0.84 120.40 115.79 1jmk s VAL 106 Ca 0.05 -1.58 -0.11 0.00 0.00 0.00 0.00 61.98 60.34 1jmk s VAL 106 Cb -0.12 -3.13 0.10 0.00 0.00 0.00 0.00 36.38 33.23 1jmk s VAL 106 CO 0.02 -0.39 0.55 -0.67 0.00 0.00 0.00 175.10 174.61 1jmk n ASP 107 N 4.69 -1.69 -4.01 3.32 2.03 0.12 -3.44 116.55 117.57 1jmk n ASP 107 Ca -0.09 -1.07 -0.09 0.00 0.52 0.00 0.00 54.79 54.07 1jmk n ASP 107 Cb 0.43 -2.57 -0.11 0.00 -0.72 0.00 0.00 41.12 38.15 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 -3.76 0.32 0.49 1.67 0.15 -1.26 -4.75 113.70 106.56 1jmk s SER 108 Ca 0.43 -0.62 0.05 0.00 0.70 0.00 0.00 55.95 56.51 1jmk s SER 108 Cb -0.24 0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.18 1jmk s SER 108 CO 0.94 -0.37 0.19 -0.31 1.20 0.00 0.00 173.24 174.89 1jmk s TYR 109 N -2.05 2.06 0.12 3.44 1.51 -1.26 -5.00 117.35 116.17 1jmk s TYR 109 Ca -0.10 -0.78 -0.30 0.00 -1.01 0.00 0.00 57.07 54.87 1jmk s TYR 109 Cb -0.06 -1.83 -0.06 0.00 -0.11 0.00 0.00 41.96 39.90 1jmk s TYR 109 CO -0.03 -0.00 1.06 0.21 -1.11 0.00 0.00 175.55 175.68 1jmk s LYS 110 N -4.01 4.59 -0.17 -0.62 2.20 -0.30 -4.75 119.74 116.68 1jmk s LYS 110 Ca 0.28 1.62 -0.29 0.00 -0.36 0.00 0.00 55.97 57.21 1jmk s LYS 110 Cb 0.01 -3.34 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 1jmk s LYS 110 CO 0.16 0.04 1.43 0.21 -0.36 0.00 0.00 175.35 176.83 1jmk s LYS 111 N 0.15 4.10 -0.02 4.03 2.47 -1.26 -1.20 119.74 128.00 1jmk s LYS 111 Ca 0.51 1.73 0.11 0.00 -1.56 0.00 0.00 55.97 56.76 1jmk s LYS 111 Cb -0.27 -3.88 -0.17 0.00 -1.46 0.00 0.00 37.83 32.05 1jmk s LYS 111 CO 0.32 -0.91 0.23 0.94 0.16 0.00 0.00 175.35 176.09 1jmk n GLN 112 N 7.03 0.37 -3.79 4.03 7.27 0.16 -1.70 117.38 130.75 1jmk n GLN 112 Ca 0.16 -0.10 -0.09 0.00 0.07 0.00 0.00 57.00 57.04 1jmk n GLN 112 Cb 0.45 -1.26 -0.03 0.00 2.41 0.00 0.00 30.24 31.81 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 -3.27 -0.06 0.09 1.69 0.00 -0.92 -4.88 107.32 99.97 1jmk s GLY 113 Ca -0.04 -0.27 -0.18 0.00 0.00 0.00 0.00 44.72 44.23 1jmk s GLY 113 CO 0.45 -0.20 1.53 -2.08 0.00 0.00 0.00 173.10 172.80 1jmk h VAL 114 N 2.10 1.26 -1.66 1.40 2.07 -1.80 -3.46 116.25 116.16 1jmk h VAL 114 Ca -0.25 -0.92 0.05 0.00 0.82 0.00 0.00 66.70 66.40 1jmk h VAL 114 Cb 1.26 1.32 -0.25 0.00 -1.52 0.00 0.00 31.29 32.10 1jmk h VAL 114 CO 0.31 0.29 0.42 -0.94 0.02 0.00 0.00 177.57 177.68 1jmk s SER 115 N -5.98 -0.48 0.00 0.57 1.04 -1.26 -4.70 113.70 102.89 1jmk s SER 115 Ca -0.13 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.12 1jmk s SER 115 Cb 0.08 0.80 0.00 0.00 0.10 0.00 0.00 66.02 67.00 1jmk s SER 115 CO 0.75 -0.23 0.00 -0.24 0.98 0.00 0.00 173.24 174.51 1jmk n SER 124 N 1.87 0.00 -1.23 7.02 2.88 -1.26 -4.67 113.62 118.24 1jmk n SER 124 Ca -0.12 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.50 1jmk n SER 124 Cb 0.56 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 64.32 1jmk n SER 124 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1jmk n ASP 125 N 0.00 4.39 -0.09 -3.46 9.92 -1.26 -4.64 116.55 121.41 1jmk n ASP 125 Ca 0.00 -2.80 -0.10 0.00 -0.53 0.00 0.00 54.79 51.37 1jmk n ASP 125 Cb 0.00 -0.55 -0.02 0.00 -0.64 0.00 0.00 41.12 39.91 1jmk n ASP 125 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 1jmk h VAL 126 N 2.74 1.16 -0.55 2.53 -1.51 -1.99 -1.77 116.25 116.85 1jmk h VAL 126 Ca 0.00 -0.47 -0.10 0.00 -1.23 0.00 0.00 66.70 64.90 1jmk h VAL 126 Cb 1.51 0.92 -0.02 0.00 -2.13 0.00 0.00 31.29 31.57 1jmk h VAL 126 CO 0.27 0.17 -0.06 1.05 -1.23 0.00 0.00 177.57 177.77 1jmk h GLU 127 N 0.34 1.01 0.08 5.19 4.11 -1.98 0.21 114.58 123.55 1jmk h GLU 127 Ca 0.10 -0.35 0.00 0.00 0.07 0.00 0.00 59.36 59.18 1jmk h GLU 127 Cb 0.14 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1jmk h GLU 127 CO -0.01 1.04 -0.08 0.00 0.07 0.00 0.00 179.01 180.02 1jmk h ALA 128 N 0.94 -0.16 -0.48 1.06 0.00 -1.87 0.36 119.26 119.12 1jmk h ALA 128 Ca 0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1jmk h ALA 128 Cb 0.61 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1jmk h ALA 128 CO 0.04 -0.60 0.05 -0.07 0.00 0.00 0.00 179.25 178.66 1jmk h LEU 129 N -0.19 0.72 -0.86 0.00 3.38 -1.18 -1.39 115.31 115.79 1jmk h LEU 129 Ca 0.00 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1jmk h LEU 129 Cb 0.18 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1jmk h LEU 129 CO -0.03 0.76 -0.01 0.24 0.09 0.00 0.00 178.44 179.49 1jmk h MET 130 N 0.72 0.83 -0.45 1.13 2.86 -0.01 -2.77 114.93 117.24 1jmk h MET 130 Ca 0.15 -0.23 -0.05 0.00 -2.06 0.00 0.00 59.70 57.51 1jmk h MET 130 Cb 0.37 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1jmk h MET 130 CO 0.01 0.84 0.08 -0.91 1.06 0.00 0.00 176.91 178.00 1jmk h ASN 131 N 0.77 0.71 -0.62 1.22 2.35 0.23 -2.65 115.58 117.59 1jmk h ASN 131 Ca 0.15 -0.25 0.09 0.00 -0.55 0.00 0.00 56.30 55.73 1jmk h ASN 131 Cb 0.48 -0.19 -0.07 0.00 0.05 0.00 0.00 38.32 38.59 1jmk h ASN 131 CO 0.02 0.78 0.26 0.58 -1.65 0.00 0.00 177.43 177.43 1jmk h VAL 132 N 0.61 0.81 -0.73 2.81 2.07 -0.99 -2.88 116.25 117.95 1jmk h VAL 132 Ca 0.14 -0.16 -0.42 0.00 0.82 0.00 0.00 66.70 67.08 1jmk h VAL 132 Cb 0.37 0.30 -0.24 0.00 -1.52 0.00 0.00 31.29 30.20 1jmk h VAL 132 CO 0.01 0.09 0.28 -0.46 0.02 0.00 0.00 177.57 177.50 1jmk n ASN 133 N -4.95 4.05 -0.29 0.57 6.94 -1.11 -4.67 115.26 115.81 1jmk n ASN 133 Ca 0.09 -3.73 0.07 0.00 -0.02 0.00 0.00 54.58 50.99 1jmk n ASN 133 Cb 0.26 -0.74 0.22 0.00 -2.36 0.00 0.00 39.78 37.15 1jmk n ASN 133 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 1jmk h ARG 134 N 1.28 0.58 -2.18 -3.83 3.08 -1.24 -3.02 114.38 109.06 1jmk h ARG 134 Ca 0.45 -0.03 -0.57 0.00 0.07 0.00 0.00 59.98 59.90 1jmk h ARG 134 Cb 1.92 -0.13 -0.41 0.00 0.08 0.00 0.00 29.97 31.43 1jmk h ARG 134 CO 0.89 0.38 -0.79 -0.25 -1.07 0.00 0.00 179.97 179.14 1jmk n ASP 135 N -4.89 3.16 -4.53 7.04 9.92 -1.26 -5.05 116.55 120.93 1jmk n ASP 135 Ca 0.17 -3.39 -0.38 0.00 -0.53 0.00 0.00 54.79 50.65 1jmk n ASP 135 Cb 0.43 -0.61 -0.11 0.00 -0.64 0.00 0.00 41.12 40.19 1jmk n ASP 135 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1jmk s ASN 136 N -2.79 5.73 0.20 -2.24 3.04 -1.14 -4.99 114.94 112.76 1jmk s ASN 136 Ca 0.44 -0.15 -0.13 0.00 0.04 0.00 0.00 52.86 53.06 1jmk s ASN 136 Cb 0.25 -2.06 0.24 0.00 -1.54 0.00 0.00 41.25 38.15 1jmk s ASN 136 CO -0.09 -0.07 1.65 -0.33 -3.04 0.00 0.00 177.10 175.21 1jmk h GLU 137 N 8.34 0.05 -0.49 0.43 3.07 -1.97 -2.26 114.58 121.75 1jmk h GLU 137 Ca -0.35 -0.00 0.10 0.00 -0.50 0.00 0.00 59.36 58.60 1jmk h GLU 137 Cb 1.18 -0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 28.98 1jmk h GLU 137 CO 0.57 0.03 -0.28 0.00 -1.40 0.00 0.00 179.01 177.93 1jmk h ALA 138 N 1.56 -0.00 -0.02 3.43 0.00 -2.00 0.34 119.26 122.58 1jmk h ALA 138 Ca 0.29 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1jmk h ALA 138 Cb 0.47 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1jmk h ALA 138 CO -0.56 -0.64 0.00 1.28 0.00 0.00 0.00 179.25 179.33 1jmk n LEU 139 N -5.42 0.94 -0.08 0.00 4.32 -0.87 -3.20 117.00 112.69 1jmk n LEU 139 Ca 0.03 -0.47 0.06 0.00 -0.02 0.00 0.00 56.01 55.60 1jmk n LEU 139 Cb 0.34 -0.41 -0.05 0.00 -1.62 0.00 0.00 43.42 41.67 1jmk n LEU 139 CO 0.05 0.22 0.05 0.59 -1.22 0.00 0.00 177.39 177.08 1jmk n ASN 140 N -0.07 0.78 -4.42 -1.43 3.02 0.12 -4.07 115.26 109.20 1jmk n ASN 140 Ca 0.01 -0.89 -0.31 0.00 -0.03 0.00 0.00 54.58 53.36 1jmk n ASN 140 Cb 0.23 0.84 0.21 0.00 -0.61 0.00 0.00 39.78 40.45 1jmk n ASN 140 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1jmk n SER 141 N -0.95 -1.80 -0.18 6.41 3.41 -1.20 -4.61 113.62 114.70 1jmk n SER 141 Ca 0.03 -0.04 -0.11 0.00 -0.26 0.00 0.00 58.87 58.49 1jmk n SER 141 Cb 0.20 -1.17 0.01 0.00 -0.26 0.00 0.00 64.21 62.99 1jmk n SER 141 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1jmk h GLU 142 N -2.28 1.03 -0.63 4.33 9.09 -1.95 -1.52 114.58 122.64 1jmk h GLU 142 Ca -0.55 -0.41 -0.04 0.00 0.05 0.00 0.00 59.36 58.41 1jmk h GLU 142 Cb 1.33 -0.05 -0.03 0.00 -1.65 0.00 0.00 28.75 28.35 1jmk h GLU 142 CO 0.43 1.09 0.23 0.00 0.05 0.00 0.00 179.01 180.81 1jmk h ALA 143 N 0.90 1.21 0.00 1.06 0.00 -1.98 -3.23 119.26 117.23 1jmk h ALA 143 Ca 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1jmk h ALA 143 Cb 0.73 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1jmk h ALA 143 CO 0.06 0.57 -0.28 0.28 0.00 0.00 0.00 179.25 179.88 1jmk h VAL 144 N 0.92 0.63 -1.00 0.00 2.07 -1.88 -3.38 116.25 113.60 1jmk h VAL 144 Ca 0.21 -1.54 0.34 0.00 0.82 0.00 0.00 66.70 66.53 1jmk h VAL 144 Cb 0.21 1.25 -0.18 0.00 -1.52 0.00 0.00 31.29 31.05 1jmk h VAL 144 CO -0.01 0.21 0.25 2.29 0.02 0.00 0.00 177.57 180.33 1jmk n LYS 145 N -4.65 -0.07 -0.01 1.57 2.85 -0.58 -0.71 118.16 116.56 1jmk n LYS 145 Ca -0.09 1.44 -0.10 0.00 -1.05 0.00 0.00 58.31 58.51 1jmk n LYS 145 Cb 0.28 -2.42 -0.04 0.00 -0.65 0.00 0.00 35.03 32.20 1jmk n LYS 145 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1jmk h HIS 146 N 0.00 0.04 -0.35 5.58 2.76 -1.73 -3.26 115.15 118.18 1jmk h HIS 146 Ca 0.71 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.89 1jmk h HIS 146 Cb 1.70 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.66 1jmk h HIS 146 CO -0.28 0.01 0.00 0.41 -1.30 0.00 0.00 177.93 176.77 1jmk n GLY 147 N -1.14 1.78 0.21 5.26 0.00 -0.33 -4.69 105.19 106.27 1jmk n GLY 147 Ca -0.04 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 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 3.24 -0.49 -0.10 0.99 5.85 -0.96 0.20 115.31 124.04 1jmk h LEU 148 Ca 0.00 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1jmk h LEU 148 Cb 0.81 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1jmk h LEU 148 CO 0.00 -0.23 -0.15 0.11 -0.34 0.00 0.00 178.44 177.83 1jmk h LYS 149 N -0.27 -0.20 -0.63 1.25 1.57 -1.84 -1.59 116.57 114.86 1jmk h LYS 149 Ca 0.05 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 1jmk h LYS 149 Cb 0.34 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1jmk h LYS 149 CO -0.16 -0.13 0.04 0.37 -0.57 0.00 0.00 179.45 179.00 1jmk h GLN 150 N -0.20 1.07 -0.60 3.15 5.75 -1.86 -2.23 115.11 120.19 1jmk h GLN 150 Ca 0.08 -0.32 -0.09 0.00 -0.15 0.00 0.00 58.65 58.17 1jmk h GLN 150 Cb 0.32 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 1jmk h GLN 150 CO -0.22 1.02 0.01 -0.22 -2.65 0.00 0.00 178.83 176.77 1jmk h LYS 151 N 0.99 1.04 -0.47 1.69 3.64 -0.70 -0.47 116.57 122.29 1jmk h LYS 151 Ca 0.18 -0.33 -0.06 0.00 -1.27 0.00 0.00 60.65 59.18 1jmk h LYS 151 Cb 0.51 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1jmk h LYS 151 CO 0.02 1.02 0.05 1.15 -2.27 0.00 0.00 179.45 179.43 1jmk h THR 152 N 0.94 1.25 -0.74 1.00 2.02 -1.24 -1.51 112.91 114.64 1jmk h THR 152 Ca 0.17 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.39 1jmk h THR 152 Cb 0.54 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 1jmk h THR 152 CO 0.03 0.34 0.45 -0.74 0.37 0.00 0.00 175.52 175.97 1jmk h HIS 153 N 0.65 0.97 -0.51 3.16 -0.00 -1.22 -0.81 115.15 117.39 1jmk h HIS 153 Ca 0.14 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.46 1jmk h HIS 153 Cb 0.42 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.49 1jmk h HIS 153 CO 0.03 0.65 0.13 0.00 -0.00 0.00 0.00 177.93 178.74 1jmk h ALA 154 N 1.24 0.67 -0.44 5.26 0.00 -0.86 -0.35 119.26 124.77 1jmk h ALA 154 Ca 0.27 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1jmk h ALA 154 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1jmk h ALA 154 CO -0.05 0.36 -0.25 0.35 0.00 0.00 0.00 179.25 179.65 1jmk h PHE 155 N 0.70 1.11 -0.32 0.00 -0.00 -1.08 -0.68 116.94 116.67 1jmk h PHE 155 Ca 0.16 -0.29 0.00 0.00 -0.00 0.00 0.00 57.97 57.84 1jmk h PHE 155 Cb 0.33 -0.25 -0.02 0.00 -0.00 0.00 0.00 35.95 36.01 1jmk h PHE 155 CO 0.02 1.11 0.21 -0.92 -0.00 0.00 0.00 178.31 178.73 1jmk h TYR 156 N 0.80 0.41 -0.84 0.41 3.20 -0.99 -0.53 116.97 119.42 1jmk h TYR 156 Ca 0.09 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 1jmk h TYR 156 Cb 0.84 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.93 1jmk h TYR 156 CO 0.06 0.26 0.40 0.77 -1.64 0.00 0.00 178.16 178.01 1jmk h SER 157 N 0.44 1.09 -0.23 -2.11 0.02 -0.89 -1.35 113.55 110.52 1jmk h SER 157 Ca 0.12 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1jmk h SER 157 Cb -0.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 1jmk h SER 157 CO -0.03 0.91 0.11 0.22 -1.14 0.00 0.00 176.83 176.91 1jmk h TYR 158 N 1.19 0.34 0.15 3.45 3.20 -0.69 -3.00 116.97 121.60 1jmk h TYR 158 Ca 0.29 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.13 1jmk h TYR 158 Cb 0.11 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.28 1jmk h TYR 158 CO 0.01 0.34 -0.07 -0.92 -1.64 0.00 0.00 178.16 175.88 1jmk h TYR 159 N 0.24 -0.18 -0.91 -3.82 3.20 -0.75 -1.49 116.97 113.27 1jmk h TYR 159 Ca 0.08 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.02 1jmk h TYR 159 Cb 0.13 0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.40 1jmk h TYR 159 CO -0.02 -0.03 0.59 -0.39 -1.64 0.00 0.00 178.16 176.67 1jmk h VAL 160 N -0.29 1.05 0.00 1.81 -1.51 -1.30 -2.55 116.25 113.46 1jmk h VAL 160 Ca -0.02 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1jmk h VAL 160 Cb 0.23 -0.05 0.00 0.00 -2.13 0.00 0.00 31.29 29.34 1jmk h VAL 160 CO 0.03 0.18 -0.57 0.59 -1.23 0.00 0.00 177.57 176.58 1jmk n ASN 161 N -4.50 0.57 -4.77 4.19 4.13 -1.13 -4.38 115.26 109.37 1jmk n ASN 161 Ca 0.14 -0.04 -0.41 0.00 1.68 0.00 0.00 54.58 55.95 1jmk n ASN 161 Cb 0.22 0.21 -0.02 0.00 -1.54 0.00 0.00 39.78 38.64 1jmk n ASN 161 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1jmk s LEU 162 N -3.61 4.43 -0.27 3.41 2.96 -0.57 -4.79 118.68 120.24 1jmk s LEU 162 Ca 0.09 2.66 -0.02 0.00 -0.22 0.00 0.00 54.13 56.64 1jmk s LEU 162 Cb 0.16 -3.64 0.09 0.00 0.50 0.00 0.00 46.19 43.29 1jmk s LEU 162 CO 0.71 -0.54 0.07 -0.63 -1.32 0.00 0.00 176.35 174.64 1jmk s ILE 163 N -0.96 0.73 -0.11 6.68 1.01 -1.26 -4.53 121.20 122.75 1jmk s ILE 163 Ca 0.50 -1.10 -0.26 0.00 0.00 0.00 0.00 60.65 59.79 1jmk s ILE 163 Cb -0.40 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.62 1jmk s ILE 163 CO 0.51 -0.52 0.85 -0.44 0.00 0.00 0.00 174.94 175.33 1jmk s SER 164 N 1.72 7.07 0.42 3.58 0.01 -0.69 -5.02 113.70 120.78 1jmk s SER 164 Ca 0.06 1.30 0.04 0.00 1.31 0.00 0.00 55.95 58.66 1jmk s SER 164 Cb -0.17 -2.48 -0.05 0.00 0.21 0.00 0.00 66.02 63.53 1jmk s SER 164 CO -0.20 -0.31 0.04 0.42 0.41 0.00 0.00 173.24 173.59 1jmk s THR 165 N 1.62 1.33 0.00 1.44 -4.23 -1.26 -4.76 115.64 109.78 1jmk s THR 165 Ca 0.42 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 1jmk s THR 165 Cb -0.18 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1jmk s THR 165 CO 0.17 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 1jmk n GLY 166 N -0.97 -1.95 3.13 3.99 0.00 -1.26 -5.01 105.19 103.12 1jmk n GLY 166 Ca -0.08 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.04 0.81 0.30 1.61 -0.21 -1.26 -4.70 119.66 116.18 1jmk s GLN 167 Ca 0.00 -1.36 0.11 0.00 0.02 0.00 0.00 55.36 54.13 1jmk s GLN 167 Cb 0.00 0.22 -0.05 0.00 1.00 0.00 0.00 33.01 34.18 1jmk s GLN 167 CO 0.00 -0.20 -0.11 0.14 -2.12 0.00 0.00 175.29 173.00 1jmk s VAL 168 N -4.00 2.61 -0.17 1.09 -7.23 -0.14 -4.93 120.40 107.63 1jmk s VAL 168 Ca 0.18 -2.21 0.22 0.00 -1.81 0.00 0.00 61.98 58.36 1jmk s VAL 168 Cb 0.08 -2.55 -0.11 0.00 0.56 0.00 0.00 36.38 34.36 1jmk s VAL 168 CO -0.03 -0.32 0.86 0.29 -0.31 0.00 0.00 175.10 175.59 1jmk n LYS 169 N -0.76 0.62 -1.74 4.82 5.02 -1.26 -1.61 118.16 123.24 1jmk n LYS 169 Ca -0.05 0.04 -0.39 0.00 -2.02 0.00 0.00 58.31 55.89 1jmk n LYS 169 Cb 0.61 -1.74 0.04 0.00 -0.02 0.00 0.00 35.03 33.93 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 -2.22 1.57 -1.60 7.82 0.00 -1.25 -3.63 120.51 121.20 1jmk n ALA 170 Ca -0.02 0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.22 1jmk n ALA 170 Cb 0.58 -2.35 0.03 0.00 0.00 0.00 0.00 19.45 17.71 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 -0.91 5.46 -0.09 0.00 1.01 -0.96 -4.38 116.67 116.80 1jmk s ASP 171 Ca 0.72 1.92 0.01 0.00 0.71 0.00 0.00 52.55 55.91 1jmk s ASP 171 Cb -0.42 -2.54 0.02 0.00 1.01 0.00 0.00 42.92 40.99 1jmk s ASP 171 CO 0.49 -1.39 -0.11 -0.63 0.21 0.00 0.00 175.17 173.75 1jmk s ILE 172 N -2.37 1.14 -0.12 0.77 1.01 -0.06 -1.14 121.20 120.42 1jmk s ILE 172 Ca 0.66 -0.42 -0.00 0.00 0.00 0.00 0.00 60.65 60.88 1jmk s ILE 172 Cb -0.18 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 1jmk s ILE 172 CO 0.39 0.37 -0.11 -1.81 0.00 0.00 0.00 174.94 173.78 1jmk s ASP 173 N 1.14 4.21 -0.12 3.58 1.01 -0.43 -0.41 116.67 125.64 1jmk s ASP 173 Ca -0.05 -0.26 0.02 0.00 0.71 0.00 0.00 52.55 52.97 1jmk s ASP 173 Cb -0.14 -1.55 0.01 0.00 1.01 0.00 0.00 42.92 42.25 1jmk s ASP 173 CO -0.02 0.19 -0.19 -0.22 0.21 0.00 0.00 175.17 175.14 1jmk s LEU 174 N 0.18 1.93 -0.33 1.23 2.96 0.15 0.36 118.68 125.17 1jmk s LEU 174 Ca -0.06 -0.52 -0.14 0.00 -0.22 0.00 0.00 54.13 53.19 1jmk s LEU 174 Cb -0.15 -1.28 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 1jmk s LEU 174 CO 0.04 0.05 0.29 -0.22 -1.32 0.00 0.00 176.35 175.19 1jmk s LEU 175 N 0.88 4.37 0.16 -0.68 2.96 -0.02 -1.78 118.68 124.57 1jmk s LEU 175 Ca -0.07 -0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 53.58 1jmk s LEU 175 Cb -0.15 -2.23 -0.05 0.00 0.50 0.00 0.00 46.19 44.25 1jmk s LEU 175 CO -0.01 -0.24 0.38 0.42 -1.32 0.00 0.00 176.35 175.57 1jmk s THR 176 N 1.86 5.19 0.72 3.68 -4.23 -0.70 0.11 115.64 122.27 1jmk s THR 176 Ca 0.09 -0.10 -0.16 0.00 -1.18 0.00 0.00 61.69 60.34 1jmk s THR 176 Cb -0.17 -3.66 0.03 0.00 1.34 0.00 0.00 72.50 70.05 1jmk s THR 176 CO 0.11 -0.03 1.24 -0.55 -0.54 0.00 0.00 174.62 174.85 1jmk s SER 177 N -2.67 4.18 0.18 3.99 0.15 -1.26 0.48 113.70 118.76 1jmk s SER 177 Ca 0.40 2.45 0.22 0.00 0.70 0.00 0.00 55.95 59.72 1jmk s SER 177 Cb -0.12 -2.60 0.89 0.00 -1.71 0.00 0.00 66.02 62.48 1jmk s SER 177 CO 0.26 -2.28 1.67 0.61 1.20 0.00 0.00 173.24 174.71 1jmk n GLY 178 N 0.60 -1.28 3.91 9.45 0.00 0.48 -4.47 105.19 113.89 1jmk n GLY 178 Ca 0.14 0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1jmk n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jmk s ALA 179 N -3.20 3.80 0.58 4.61 0.00 -1.24 -4.88 121.76 121.44 1jmk s ALA 179 Ca 0.06 -0.71 -0.19 0.00 0.00 0.00 0.00 51.96 51.12 1jmk s ALA 179 Cb 0.10 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1jmk s ALA 179 CO 0.40 0.52 1.18 -0.51 0.00 0.00 0.00 175.76 177.34 1jmk s ASP 180 N -2.88 5.37 -0.16 0.00 1.01 -1.26 -5.04 116.67 113.71 1jmk s ASP 180 Ca 0.40 2.30 -0.14 0.00 0.71 0.00 0.00 52.55 55.82 1jmk s ASP 180 Cb -0.11 -2.59 0.04 0.00 1.01 0.00 0.00 42.92 41.27 1jmk s ASP 180 CO 0.27 -1.47 0.41 0.12 0.21 0.00 0.00 175.17 174.72 1jmk s PHE 181 N -1.69 -0.47 -0.33 4.23 5.36 -1.26 -5.13 117.98 118.69 1jmk s PHE 181 Ca 0.75 1.13 -0.06 0.00 -0.96 0.00 0.00 56.93 57.79 1jmk s PHE 181 Cb -0.28 0.17 0.04 0.00 -0.34 0.00 0.00 43.02 42.61 1jmk s PHE 181 CO 0.31 -0.23 0.09 0.34 -1.46 0.00 0.00 175.22 174.26 1jmk s ASP 182 N 0.36 5.23 -0.10 6.13 2.15 -1.26 -5.06 116.67 124.12 1jmk s ASP 182 Ca -0.01 -1.11 -0.35 0.00 0.43 0.00 0.00 52.55 51.50 1jmk s ASP 182 Cb -0.04 -1.85 -0.13 0.00 -0.30 0.00 0.00 42.92 40.61 1jmk s ASP 182 CO -0.01 -0.30 1.82 0.00 -0.17 0.00 0.00 175.17 176.51 1jmk n ILE 183 N 4.79 0.47 -0.86 4.11 0.13 -1.26 -4.96 119.36 121.78 1jmk n ILE 183 Ca -0.13 -0.08 -0.29 0.00 -1.10 0.00 0.00 62.75 61.15 1jmk n ILE 183 Cb 0.45 -1.71 0.20 0.00 -0.84 0.00 0.00 39.64 37.74 1jmk n ILE 183 CO 0.00 0.00 0.00 -2.84 2.80 0.00 0.00 176.55 176.51 1jmk s PRO 184 N 3.63 0.08 0.37 9.51 0.02 -1.26 -4.92 135.00 142.43 1jmk s PRO 184 Ca 0.92 0.83 0.13 0.00 0.02 0.00 0.00 61.00 62.91 1jmk s PRO 184 Cb -0.77 -1.67 0.70 0.00 0.02 0.00 0.00 34.50 32.78 1jmk s PRO 184 CO 0.53 -3.05 1.81 1.49 -0.33 0.00 0.00 177.00 177.45 1jmk h GLU 185 N -2.14 0.00 -0.12 5.54 4.22 -1.96 -2.50 114.58 117.63 1jmk h GLU 185 Ca -0.55 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.89 1jmk h GLU 185 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1jmk h GLU 185 CO 0.52 0.39 0.00 -2.67 -2.18 0.00 0.00 179.01 175.07 1jmk n TRP 186 N -4.05 0.15 -4.37 0.92 4.27 -1.26 -4.75 117.44 108.35 1jmk n TRP 186 Ca -0.02 -0.08 -0.20 0.00 -3.89 0.00 0.00 57.50 53.31 1jmk n TRP 186 Cb 0.42 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.27 1jmk n TRP 186 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 1jmk s LEU 187 N -1.50 2.53 0.09 5.67 1.43 -0.94 0.39 118.68 126.35 1jmk s LEU 187 Ca 0.29 -0.98 -0.11 0.00 -1.03 0.00 0.00 54.13 52.29 1jmk s LEU 187 Cb 0.15 -0.81 0.01 0.00 0.03 0.00 0.00 46.19 45.57 1jmk s LEU 187 CO 0.23 -0.09 0.26 0.00 0.23 0.00 0.00 176.35 176.98 1jmk s ALA 188 N -2.63 -0.47 0.95 4.21 0.00 -0.34 -4.64 121.76 118.83 1jmk s ALA 188 Ca 0.22 -0.38 -0.12 0.00 0.00 0.00 0.00 51.96 51.68 1jmk s ALA 188 Cb -0.03 0.51 0.16 0.00 0.00 0.00 0.00 23.12 23.76 1jmk s ALA 188 CO 0.08 -0.53 1.10 -1.54 0.00 0.00 0.00 175.76 174.87 1jmk s SER 189 N -2.73 3.09 0.00 0.00 1.04 -1.26 -1.16 113.70 112.68 1jmk s SER 189 Ca 0.03 1.26 0.24 0.00 0.48 0.00 0.00 55.95 57.96 1jmk s SER 189 Cb 0.03 -1.93 1.02 0.00 0.10 0.00 0.00 66.02 65.24 1jmk s SER 189 CO -0.10 -2.85 1.70 0.79 0.98 0.00 0.00 173.24 173.76 1jmk n TRP 190 N -4.00 0.09 -0.14 5.02 7.02 -1.26 -4.45 117.44 119.72 1jmk n TRP 190 Ca 0.06 -0.05 -0.08 0.00 -1.02 0.00 0.00 57.50 56.42 1jmk n TRP 190 Cb 0.57 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.44 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 1.62 -0.25 -0.02 -0.99 4.81 -1.94 -0.18 114.58 117.64 1jmk h GLU 191 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1jmk h GLU 191 Cb 0.35 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1jmk h GLU 191 CO 0.00 -0.16 0.00 0.39 -0.73 0.00 0.00 179.01 178.51 1jmk n GLU 192 N -5.42 1.19 0.00 1.92 -0.58 -1.26 -3.65 120.64 112.84 1jmk n GLU 192 Ca 0.01 -0.28 0.13 0.00 -0.42 0.00 0.00 57.16 56.60 1jmk n GLU 192 Cb 0.35 -1.44 0.40 0.00 -0.57 0.00 0.00 31.44 30.18 1jmk n GLU 192 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jmk n ALA 193 N -0.61 3.11 -2.88 0.62 0.00 -0.08 -4.80 120.51 115.87 1jmk n ALA 193 Ca 0.20 -0.33 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 1jmk n ALA 193 Cb 0.17 -1.20 -0.13 0.00 0.00 0.00 0.00 19.45 18.29 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 -2.71 0.25 -2.61 0.00 -1.32 -1.22 -0.97 115.64 107.05 1jmk s THR 194 Ca 0.20 -0.57 0.26 0.00 -1.21 0.00 0.00 61.69 60.37 1jmk s THR 194 Cb 0.19 -0.30 0.37 0.00 -1.51 0.00 0.00 72.50 71.25 1jmk s THR 194 CO 0.57 -0.22 1.52 0.35 -2.21 0.00 0.00 174.62 174.64 1jmk n THR 195 N 2.23 0.00 -1.07 5.08 -2.24 -0.64 -4.88 114.28 112.77 1jmk n THR 195 Ca -0.18 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1jmk n THR 195 Cb 0.57 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 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 1.26 1.43 3.83 3.38 0.00 -1.24 -5.04 105.19 108.81 1jmk n GLY 196 Ca 0.16 -1.85 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.93 3.64 -0.24 4.61 0.00 -1.26 -4.94 121.76 120.63 1jmk s ALA 197 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 51.96 51.83 1jmk s ALA 197 Cb 0.00 -2.51 0.01 0.00 0.00 0.00 0.00 23.12 20.62 1jmk s ALA 197 CO 0.00 0.45 -0.04 -0.47 0.00 0.00 0.00 175.76 175.69 1jmk s TYR 198 N -1.16 3.01 0.03 0.00 5.04 -1.26 -0.88 117.35 122.13 1jmk s TYR 198 Ca 0.28 -1.22 0.08 0.00 -2.44 0.00 0.00 57.07 53.77 1jmk s TYR 198 Cb -0.18 -2.10 -0.02 0.00 0.35 0.00 0.00 41.96 40.01 1jmk s TYR 198 CO 0.17 -0.64 -0.23 0.50 -1.34 0.00 0.00 175.55 174.02 1jmk s ARG 199 N 1.41 1.58 0.02 4.97 3.52 0.45 -4.99 118.95 125.90 1jmk s ARG 199 Ca 0.03 -0.97 -0.01 0.00 -0.13 0.00 0.00 55.73 54.66 1jmk s ARG 199 Cb -0.15 -1.68 -0.02 0.00 -1.56 0.00 0.00 34.95 31.54 1jmk s ARG 199 CO -0.04 0.44 -0.00 0.00 -0.81 0.00 0.00 175.30 174.89 1jmk s MET 200 N -1.08 0.33 -0.10 5.12 0.23 -1.26 0.34 119.30 122.88 1jmk s MET 200 Ca 0.09 -0.56 -0.09 0.00 -1.03 0.00 0.00 55.69 54.09 1jmk s MET 200 Cb -0.09 0.12 0.03 0.00 -1.53 0.00 0.00 34.83 33.36 1jmk s MET 200 CO 0.01 -0.06 0.27 0.21 -2.03 0.00 0.00 175.02 173.42 1jmk s LYS 201 N -1.41 0.31 0.01 3.16 2.20 -0.74 -4.96 119.74 118.31 1jmk s LYS 201 Ca -0.15 0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 55.54 1jmk s LYS 201 Cb -0.09 0.14 -0.04 0.00 -1.51 0.00 0.00 37.83 36.32 1jmk s LYS 201 CO -0.01 -0.04 1.16 0.50 -0.36 0.00 0.00 175.35 176.60 1jmk s ARG 202 N 0.21 4.43 0.00 4.03 3.52 -1.26 -1.72 118.95 128.16 1jmk s ARG 202 Ca -0.01 1.67 0.00 0.00 -0.13 0.00 0.00 55.73 57.27 1jmk s ARG 202 Cb -0.02 -3.44 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 1jmk s ARG 202 CO -0.00 -0.28 0.00 0.41 -0.81 0.00 0.00 175.30 174.61 1jmk n GLY 203 N 3.21 2.78 3.32 8.12 0.00 0.18 -4.88 105.19 117.92 1jmk n GLY 203 Ca 0.09 -1.92 -0.26 0.00 0.00 0.00 0.00 46.02 43.93 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 2.53 2.01 0.00 1.61 0.40 -1.26 -3.42 117.98 119.84 1jmk s PHE 204 Ca 0.00 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 1jmk s PHE 204 Cb 0.00 -1.11 0.00 0.00 0.51 0.00 0.00 43.02 42.42 1jmk s PHE 204 CO 0.00 0.24 0.00 0.41 0.70 0.00 0.00 175.22 176.57 1jmk n GLY 205 N 1.15 -1.08 3.90 4.36 0.00 -1.26 -4.34 105.19 107.92 1jmk n GLY 205 Ca -0.19 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 43.92 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 -1.76 3.93 0.21 2.61 -4.23 -1.26 -0.39 115.64 114.76 1jmk s THR 206 Ca 0.00 0.21 -0.18 0.00 -1.18 0.00 0.00 61.69 60.54 1jmk s THR 206 Cb 0.00 -3.57 0.20 0.00 1.34 0.00 0.00 72.50 70.48 1jmk s THR 206 CO 0.00 -0.63 1.57 -0.74 -0.54 0.00 0.00 174.62 174.29 1jmk h HIS 207 N -0.21 -0.94 0.00 3.99 2.76 -1.96 -2.23 115.15 116.56 1jmk h HIS 207 Ca -0.45 0.09 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 1jmk h HIS 207 Cb 1.24 0.53 0.00 0.00 1.55 0.00 0.00 27.41 30.73 1jmk h HIS 207 CO 0.51 -0.39 0.00 0.00 -1.30 0.00 0.00 177.93 176.75 1jmk n ALA 208 N -3.31 1.72 0.11 5.26 0.00 -1.26 -3.42 120.51 119.61 1jmk n ALA 208 Ca 0.08 -0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.48 1jmk n ALA 208 Cb 0.38 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 18.61 1jmk n ALA 208 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1jmk n GLU 209 N -1.45 -0.27 -0.06 0.00 0.28 -0.85 -4.82 120.64 113.49 1jmk n GLU 209 Ca 0.04 -0.76 0.14 0.00 -0.16 0.00 0.00 57.16 56.42 1jmk n GLU 209 Cb 0.16 -1.06 0.55 0.00 1.43 0.00 0.00 31.44 32.52 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 0.59 0.29 -0.60 3.44 2.86 -1.55 -2.89 114.93 117.06 1jmk h MET 210 Ca 0.00 -0.02 -0.35 0.00 -2.06 0.00 0.00 59.70 57.27 1jmk h MET 210 Cb 0.16 -0.06 -0.21 0.00 0.06 0.00 0.00 31.60 31.55 1jmk h MET 210 CO 0.00 0.19 0.10 1.28 1.06 0.00 0.00 176.91 179.54 1jmk n LEU 211 N -4.45 5.18 -3.99 1.22 4.77 -1.26 -3.62 117.00 114.84 1jmk n LEU 211 Ca 0.10 -3.92 -0.10 0.00 -0.03 0.00 0.00 56.01 52.06 1jmk n LEU 211 Cb 0.43 -0.69 -0.07 0.00 -2.33 0.00 0.00 43.42 40.76 1jmk n LEU 211 CO 0.34 1.35 -0.05 -1.58 -1.33 0.00 0.00 177.39 176.12 1jmk s GLN 212 N -3.37 1.15 3.71 3.23 2.00 -1.09 -4.57 119.66 120.72 1jmk s GLN 212 Ca 0.50 -1.22 0.00 0.00 -2.00 0.00 0.00 55.36 52.64 1jmk s GLN 212 Cb 0.44 0.36 0.00 0.00 0.80 0.00 0.00 33.01 34.61 1jmk s GLN 212 CO 0.02 -0.41 0.00 0.41 -0.50 0.00 0.00 175.29 174.81 1jmk n GLY 213 N -0.21 1.30 0.14 2.59 0.00 -1.26 -2.15 105.19 105.60 1jmk n GLY 213 Ca -0.07 -0.56 -0.00 0.00 0.00 0.00 0.00 46.02 45.39 1jmk n GLY 213 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jmk h GLU 214 N 0.00 0.00 0.00 1.61 3.07 -1.98 -2.94 114.58 114.33 1jmk h GLU 214 Ca 0.00 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.79 1jmk h GLU 214 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1jmk h GLU 214 CO 0.00 0.59 -0.34 1.79 -1.40 0.00 0.00 179.01 179.65 1jmk h THR 215 N 0.00 1.15 -0.47 1.13 1.35 -1.85 -2.78 112.91 111.44 1jmk h THR 215 Ca -0.01 -1.21 0.01 0.00 -0.55 0.00 0.00 66.41 64.65 1jmk h THR 215 Cb 1.08 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 69.15 1jmk h THR 215 CO 0.08 0.33 0.31 0.25 -0.25 0.00 0.00 175.52 176.24 1jmk h LEU 216 N 0.00 0.54 -0.59 3.87 5.85 -1.24 0.14 115.31 123.87 1jmk h LEU 216 Ca -0.00 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1jmk h LEU 216 Cb 0.64 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 1jmk h LEU 216 CO 0.04 0.39 0.32 0.44 -0.34 0.00 0.00 178.44 179.29 1jmk h ASP 217 N 0.64 0.46 -0.21 1.25 3.32 -1.58 0.27 116.42 120.57 1jmk h ASP 217 Ca 0.17 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1jmk h ASP 217 Cb -0.07 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1jmk h ASP 217 CO -0.04 0.31 0.06 0.03 -1.72 0.00 0.00 179.24 177.88 1jmk h ARG 218 N 0.60 0.32 -0.23 3.56 3.08 -1.37 -3.12 114.38 117.21 1jmk h ARG 218 Ca 0.26 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 60.13 1jmk h ARG 218 Cb 0.16 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1jmk h ARG 218 CO -0.17 0.42 -0.33 -0.91 -1.07 0.00 0.00 179.97 177.91 1jmk h ASN 219 N 0.16 0.51 -0.49 7.04 2.35 -0.30 -2.97 115.58 121.89 1jmk h ASN 219 Ca 0.07 -0.20 0.05 0.00 -0.55 0.00 0.00 56.30 55.67 1jmk h ASN 219 Cb 0.23 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1jmk h ASN 219 CO -0.00 0.81 0.33 0.00 -1.65 0.00 0.00 177.43 176.91 1jmk h ALA 220 N 1.22 1.86 -0.79 -0.83 0.00 -0.42 -1.23 119.26 119.07 1jmk h ALA 220 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1jmk h ALA 220 Cb 0.79 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1jmk h ALA 220 CO 0.06 0.07 0.45 0.78 0.00 0.00 0.00 179.25 180.61 1jmk h GLY 221 N 0.47 1.17 1.20 0.00 0.00 -1.47 -0.33 103.07 104.12 1jmk h GLY 221 Ca 0.21 -0.52 -0.17 0.00 0.00 0.00 0.00 47.33 46.85 1jmk h GLY 221 CO -0.05 0.50 -0.46 -2.22 0.00 0.00 0.00 176.54 174.30 1jmk h ILE 222 N 1.09 1.28 -0.64 2.60 2.04 -1.35 -2.27 117.51 120.27 1jmk h ILE 222 Ca 0.28 -1.65 -0.02 0.00 1.00 0.00 0.00 64.86 64.48 1jmk h ILE 222 Cb 0.01 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1jmk h ILE 222 CO -0.05 0.54 0.33 -0.07 0.00 0.00 0.00 178.15 178.90 1jmk h LEU 223 N 0.68 0.79 -1.08 1.44 3.38 -0.91 -0.98 115.31 118.63 1jmk h LEU 223 Ca 0.04 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1jmk h LEU 223 Cb 1.05 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1jmk h LEU 223 CO 0.10 0.65 -0.35 -0.07 0.09 0.00 0.00 178.44 178.87 1jmk h LEU 224 N 0.89 0.21 -0.42 1.67 3.38 -0.86 -0.77 115.31 119.41 1jmk h LEU 224 Ca 0.22 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1jmk h LEU 224 Cb 0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1jmk h LEU 224 CO -0.03 0.54 0.12 -0.33 0.09 0.00 0.00 178.44 178.83 1jmk h GLU 225 N 0.18 0.65 -0.08 1.13 5.08 -0.63 0.76 114.58 121.66 1jmk h GLU 225 Ca 0.02 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1jmk h GLU 225 Cb 0.70 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1jmk h GLU 225 CO 0.05 0.66 0.05 0.74 -1.00 0.00 0.00 179.01 179.51 1jmk h PHE 226 N 0.53 0.11 -0.51 4.33 0.04 -0.85 -3.02 116.94 117.57 1jmk h PHE 226 Ca 0.13 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.85 1jmk h PHE 226 Cb 0.28 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 1jmk h PHE 226 CO 0.01 0.10 0.08 -0.07 -0.60 0.00 0.00 178.31 177.84 1jmk h LEU 227 N 0.08 0.75 -1.47 1.54 3.38 -0.99 -2.84 115.31 115.76 1jmk h LEU 227 Ca 0.03 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1jmk h LEU 227 Cb 0.03 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1jmk h LEU 227 CO -0.01 0.77 0.00 0.59 0.09 0.00 0.00 178.44 179.88 1jmk n ASN 228 N -4.26 2.03 -4.85 -0.43 5.03 0.24 -4.88 115.26 108.15 1jmk n ASN 228 Ca 0.03 -2.19 -0.35 0.00 0.87 0.00 0.00 54.58 52.94 1jmk n ASN 228 Cb 0.25 -0.43 -0.06 0.00 -1.02 0.00 0.00 39.78 38.52 1jmk n ASN 228 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1jmk s THR 229 N -1.58 4.94 0.17 3.41 2.01 -1.08 -5.03 115.64 118.49 1jmk s THR 229 Ca 0.16 0.73 -0.17 0.00 0.31 0.00 0.00 61.69 62.71 1jmk s THR 229 Cb 0.11 -3.71 0.03 0.00 0.01 0.00 0.00 72.50 68.94 1jmk s THR 229 CO 0.06 0.29 0.48 -1.10 -0.69 0.00 0.00 174.62 173.67 1jmk s GLN 230 N -1.86 1.28 0.00 4.92 -0.21 -1.26 -5.08 119.66 117.45 1jmk s GLN 230 Ca 0.35 -0.82 0.00 0.00 0.02 0.00 0.00 55.36 54.91 1jmk s GLN 230 Cb -0.15 0.50 0.00 0.00 1.00 0.00 0.00 33.01 34.37 1jmk s GLN 230 CO 0.18 -0.53 0.22 0.25 -2.12 0.00 0.00 175.29 173.29