#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mdk s VAL 2 N 0.00 3.90 -0.23 2.03 1.01 -1.26 -3.14 120.40 122.70 1mdk s VAL 2 Ca 0.00 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 1mdk s VAL 2 Cb 0.00 -3.42 0.10 0.00 0.00 0.00 0.00 36.38 33.06 1mdk s VAL 2 CO 0.00 -0.27 0.51 -0.75 0.00 0.00 0.00 175.10 174.59 1mdk s LYS 3 N -4.49 0.43 -0.01 2.72 2.20 -0.83 -4.97 119.74 114.80 1mdk s LYS 3 Ca 0.48 1.17 -0.20 0.00 -0.36 0.00 0.00 55.97 57.07 1mdk s LYS 3 Cb -0.10 0.48 -0.05 0.00 -1.51 0.00 0.00 37.83 36.65 1mdk s LYS 3 CO 0.36 -0.22 0.56 -1.14 -0.36 0.00 0.00 175.35 174.56 1mdk s GLN 4 N 2.56 4.27 -0.35 4.03 0.74 -1.26 -1.50 119.66 128.15 1mdk s GLN 4 Ca -0.04 0.68 -0.08 0.00 0.05 0.00 0.00 55.36 55.97 1mdk s GLN 4 Cb -0.11 -3.33 0.04 0.00 1.10 0.00 0.00 33.01 30.70 1mdk s GLN 4 CO -0.15 0.40 0.14 0.42 -0.55 0.00 0.00 175.29 175.55 1mdk s ILE 5 N -0.27 4.03 -1.55 -2.34 -1.09 -0.41 -4.92 121.20 114.65 1mdk s ILE 5 Ca 0.30 -1.08 0.22 0.00 -2.23 0.00 0.00 60.65 57.85 1mdk s ILE 5 Cb -0.18 -3.28 -0.11 0.00 -1.58 0.00 0.00 42.46 37.31 1mdk s ILE 5 CO 0.16 -0.22 0.99 -0.62 -1.23 0.00 0.00 174.94 174.03 1mdk n GLU 6 N 4.87 0.72 -3.67 2.79 1.02 -1.26 -4.29 120.64 120.82 1mdk n GLU 6 Ca -0.12 -0.55 -0.13 0.00 -0.02 0.00 0.00 57.16 56.34 1mdk n GLU 6 Cb 0.45 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.33 1mdk n GLU 6 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1mdk s SER 7 N -2.69 -0.29 0.57 1.62 1.04 -1.26 -4.59 113.70 108.11 1mdk s SER 7 Ca 0.14 0.05 0.29 0.00 0.48 0.00 0.00 55.95 56.90 1mdk s SER 7 Cb 0.17 0.41 1.47 0.00 0.10 0.00 0.00 66.02 68.17 1mdk s SER 7 CO 0.70 -0.63 1.91 0.50 0.98 0.00 0.00 173.24 176.69 1mdk h LYS 8 N 3.13 0.00 -0.26 4.02 3.64 -1.93 -0.18 116.57 124.99 1mdk h LYS 8 Ca -0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 1mdk h LYS 8 Cb 1.20 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1mdk h LYS 8 CO 0.43 0.00 0.16 1.15 -2.27 0.00 0.00 179.45 178.92 1mdk h THR 9 N 0.00 1.08 0.00 1.00 2.02 -2.01 -2.09 112.91 112.92 1mdk h THR 9 Ca 0.27 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 1mdk h THR 9 Cb 1.29 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1mdk h THR 9 CO -0.00 0.08 -0.20 0.00 0.37 0.00 0.00 175.52 175.76 1mdk h ALA 10 N 1.07 1.09 0.30 6.16 0.00 -1.44 -3.04 119.26 123.41 1mdk h ALA 10 Ca 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1mdk h ALA 10 Cb -0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1mdk h ALA 10 CO -0.02 0.26 -0.18 0.35 0.00 0.00 0.00 179.25 179.66 1mdk h PHE 11 N 0.00 -0.47 -0.61 0.00 3.57 -1.13 0.31 116.94 118.61 1mdk h PHE 11 Ca -0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.56 1mdk h PHE 11 Cb 0.63 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 39.48 1mdk h PHE 11 CO 0.00 -0.27 0.30 -0.56 -2.23 0.00 0.00 178.31 175.55 1mdk h GLN 12 N -0.45 0.54 -0.71 1.11 3.07 -1.61 -0.87 115.11 116.18 1mdk h GLN 12 Ca -0.04 -0.03 0.03 0.00 0.09 0.00 0.00 58.65 58.70 1mdk h GLN 12 Cb 0.36 -0.12 -0.04 0.00 0.08 0.00 0.00 27.48 27.76 1mdk h GLN 12 CO 0.05 0.35 0.47 0.93 0.09 0.00 0.00 178.83 180.72 1mdk h GLU 13 N 0.55 0.84 -0.22 0.06 5.08 -1.43 -1.07 114.58 118.40 1mdk h GLU 13 Ca 0.29 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1mdk h GLU 13 Cb 0.24 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1mdk h GLU 13 CO -0.22 0.56 0.14 0.00 -1.00 0.00 0.00 179.01 178.49 1mdk h ALA 14 N 1.58 0.28 -0.60 3.43 0.00 0.11 0.13 119.26 124.19 1mdk h ALA 14 Ca 0.28 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1mdk h ALA 14 Cb 0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1mdk h ALA 14 CO -0.08 -0.25 0.19 -0.07 0.00 0.00 0.00 179.25 179.04 1mdk h LEU 15 N 0.29 0.87 -0.66 0.00 3.38 -1.14 0.21 115.31 118.26 1mdk h LEU 15 Ca 0.08 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1mdk h LEU 15 Cb -0.03 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1mdk h LEU 15 CO -0.02 0.84 0.18 -0.78 0.09 0.00 0.00 178.44 178.74 1mdk h ASP 16 N 0.85 0.99 1.59 -0.43 1.82 -0.82 -2.29 116.42 118.13 1mdk h ASP 16 Ca 0.19 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1mdk h ASP 16 Cb 0.28 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 40.03 1mdk h ASP 16 CO -0.01 0.95 0.00 0.00 -1.61 0.00 0.00 179.24 178.58 1mdk h ALA 17 N 1.07 1.00 0.00 -0.78 0.00 -0.50 -3.10 119.26 116.95 1mdk h ALA 17 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1mdk h ALA 17 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1mdk h ALA 17 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1mdk n ALA 18 N -1.87 1.78 -0.64 0.00 0.00 0.71 -4.92 120.51 115.56 1mdk n ALA 18 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1mdk n ALA 18 Cb 0.45 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1mdk n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mdk n GLY 19 N -0.18 2.82 0.00 0.00 0.00 -1.17 -2.94 105.19 103.71 1mdk n GLY 19 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1mdk n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1mdk n ASP 20 N 9.86 0.51 -4.71 1.61 8.00 -1.26 -4.44 116.55 126.12 1mdk n ASP 20 Ca 0.00 -1.18 -0.29 0.00 0.71 0.00 0.00 54.79 54.03 1mdk n ASP 20 Cb 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.26 1mdk n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1mdk s LYS 21 N -0.18 0.85 0.90 -1.24 1.02 -1.15 -4.79 119.74 115.15 1mdk s LYS 21 Ca 0.00 0.61 -0.11 0.00 0.02 0.00 0.00 55.97 56.50 1mdk s LYS 21 Cb 0.00 -1.78 0.13 0.00 -0.52 0.00 0.00 37.83 35.66 1mdk s LYS 21 CO 0.00 -2.47 1.11 -1.17 -0.92 0.00 0.00 175.35 171.91 1mdk s LEU 22 N -6.31 2.65 -0.21 3.17 0.20 -1.26 -4.71 118.68 112.21 1mdk s LEU 22 Ca 0.64 1.96 -0.04 0.00 0.69 0.00 0.00 54.13 57.38 1mdk s LEU 22 Cb -0.18 -4.38 0.09 0.00 -0.43 0.00 0.00 46.19 41.29 1mdk s LEU 22 CO 0.57 -2.87 0.19 -0.69 -0.29 0.00 0.00 176.35 173.27 1mdk s VAL 23 N -2.73 -0.27 -0.17 1.68 1.01 -0.88 -2.07 120.40 116.97 1mdk s VAL 23 Ca 0.65 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.37 1mdk s VAL 23 Cb -0.21 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1mdk s VAL 23 CO 0.58 -0.27 0.07 -0.69 0.00 0.00 0.00 175.10 174.79 1mdk s VAL 24 N 2.28 4.85 -0.13 2.92 1.01 -0.72 -0.17 120.40 130.44 1mdk s VAL 24 Ca 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 1mdk s VAL 24 Cb -0.16 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1mdk s VAL 24 CO -0.14 0.48 -0.04 -0.69 0.00 0.00 0.00 175.10 174.71 1mdk s VAL 25 N 0.18 3.91 -0.41 2.92 1.01 0.49 -1.20 120.40 127.29 1mdk s VAL 25 Ca 0.05 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 1mdk s VAL 25 Cb -0.12 -2.68 0.07 0.00 0.00 0.00 0.00 36.38 33.65 1mdk s VAL 25 CO 0.00 0.53 0.25 -0.62 0.00 0.00 0.00 175.10 175.26 1mdk s ASP 26 N -0.03 5.62 -1.23 3.32 2.15 -1.09 -2.44 116.67 122.97 1mdk s ASP 26 Ca 0.01 -1.47 -0.15 0.00 0.43 0.00 0.00 52.55 51.38 1mdk s ASP 26 Cb -0.13 -1.98 0.15 0.00 -0.30 0.00 0.00 42.92 40.65 1mdk s ASP 26 CO 0.03 -0.52 1.50 -0.36 -0.17 0.00 0.00 175.17 175.65 1mdk s PHE 27 N 1.42 3.32 0.08 -5.34 0.40 -1.06 -2.39 117.98 114.42 1mdk s PHE 27 Ca 0.03 -2.00 0.07 0.00 -0.60 0.00 0.00 56.93 54.43 1mdk s PHE 27 Cb -0.23 -4.42 -0.04 0.00 0.51 0.00 0.00 43.02 38.84 1mdk s PHE 27 CO 0.02 -1.50 -0.11 -1.12 0.70 0.00 0.00 175.22 173.21 1mdk s SER 28 N 3.19 4.33 -0.16 1.36 0.01 -1.18 -3.15 113.70 118.10 1mdk s SER 28 Ca 0.45 -0.37 -0.18 0.00 1.31 0.00 0.00 55.95 57.17 1mdk s SER 28 Cb -0.01 -0.83 -0.04 0.00 0.21 0.00 0.00 66.02 65.35 1mdk s SER 28 CO 0.02 0.20 0.47 0.00 0.41 0.00 0.00 173.24 174.34 1mdk s ALA 29 N -1.14 3.52 0.37 1.44 0.00 -1.26 -4.35 121.76 120.33 1mdk s ALA 29 Ca 0.20 -0.34 0.24 0.00 0.00 0.00 0.00 51.96 52.06 1mdk s ALA 29 Cb -0.11 -2.69 1.25 0.00 0.00 0.00 0.00 23.12 21.57 1mdk s ALA 29 CO 0.12 -0.21 2.00 0.00 0.00 0.00 0.00 175.76 177.67 1mdk h THR 30 N 4.92 0.69 0.00 0.00 1.03 -1.99 -2.21 112.91 115.35 1mdk h THR 30 Ca -0.37 -0.72 0.00 0.00 -0.01 0.00 0.00 66.41 65.31 1mdk h THR 30 Cb 1.17 1.45 0.00 0.00 -1.07 0.00 0.00 68.15 69.69 1mdk h THR 30 CO 0.74 0.17 -0.56 -2.67 -0.01 0.00 0.00 175.52 173.19 1mdk n TRP 31 N -3.70 0.18 -3.45 0.00 4.27 -1.26 -4.83 117.44 108.65 1mdk n TRP 31 Ca -0.02 0.05 -0.37 0.00 -3.89 0.00 0.00 57.50 53.28 1mdk n TRP 31 Cb 0.29 -0.39 -0.07 0.00 -1.36 0.00 0.00 31.31 29.77 1mdk n TRP 31 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1mdk h GLY 33 N 7.07 -0.85 -0.51 0.00 0.00 -1.88 -2.51 103.07 104.40 1mdk h GLY 33 Ca -0.39 0.31 0.35 0.00 0.00 0.00 0.00 47.33 47.61 1mdk h GLY 33 CO 0.74 -0.31 0.87 -2.55 0.00 0.00 0.00 176.54 175.29 1mdk h PRO 34 N -1.15 0.08 0.07 4.80 0.11 -1.94 0.90 132.00 134.87 1mdk h PRO 34 Ca -0.08 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 1mdk h PRO 34 Cb 0.66 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1mdk h PRO 34 CO 0.14 0.05 -0.03 0.00 -0.21 0.00 0.00 178.00 177.94 1mdk h ALA 35 N 1.43 -0.11 0.00 -0.75 0.00 -1.84 -3.28 119.26 114.72 1mdk h ALA 35 Ca 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1mdk h ALA 35 Cb 2.27 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.09 1mdk h ALA 35 CO -0.09 -0.10 0.01 -0.22 0.00 0.00 0.00 179.25 178.85 1mdk h LYS 36 N -0.90 0.00 -0.12 0.00 3.64 -0.87 -2.07 116.57 116.25 1mdk h LYS 36 Ca -0.01 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1mdk h LYS 36 Cb 0.07 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1mdk h LYS 36 CO 0.02 0.00 0.10 1.98 -2.27 0.00 0.00 179.45 179.27 1mdk h MET 37 N 0.00 0.00 -0.47 1.90 4.05 0.76 -0.72 114.93 120.44 1mdk h MET 37 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1mdk h MET 37 Cb 0.01 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 1mdk h MET 37 CO 0.00 0.00 0.00 -0.89 0.23 0.00 0.00 176.91 176.25 1mdk n ILE 38 N -4.31 0.62 -0.08 1.77 5.41 -0.78 -4.38 119.36 117.61 1mdk n ILE 38 Ca -0.00 -0.71 0.01 0.00 1.00 0.00 0.00 62.75 63.05 1mdk n ILE 38 Cb 0.21 0.57 0.30 0.00 -0.71 0.00 0.00 39.64 40.01 1mdk n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1mdk h LYS 39 N 3.57 0.70 0.00 0.38 2.10 -1.27 -1.95 116.57 120.11 1mdk h LYS 39 Ca 0.00 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 1mdk h LYS 39 Cb 0.80 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 1mdk h LYS 39 CO 0.00 0.56 0.00 -2.30 -2.00 0.00 0.00 179.45 175.71 1mdk n PRO 40 N -4.37 0.03 0.00 0.07 -0.02 -1.26 -2.07 135.00 127.37 1mdk n PRO 40 Ca 0.04 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 1mdk n PRO 40 Cb 0.13 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1mdk n PRO 40 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1mdk n PHE 41 N -1.30 0.00 -0.14 6.00 3.01 -0.75 -4.01 117.46 120.26 1mdk n PHE 41 Ca 0.01 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.36 1mdk n PHE 41 Cb 0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.43 1mdk n PHE 41 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 1mdk h PHE 42 N 0.00 -1.36 -0.04 1.38 3.57 -1.57 0.21 116.94 119.12 1mdk h PHE 42 Ca 0.00 0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 1mdk h PHE 42 Cb 0.00 0.66 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1mdk h PHE 42 CO 0.00 -0.45 -0.25 1.25 -2.23 0.00 0.00 178.31 176.63 1mdk h HIS 43 N -0.33 0.08 -0.60 0.41 2.76 -1.66 -2.75 115.15 113.07 1mdk h HIS 43 Ca 0.13 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.24 1mdk h HIS 43 Cb 0.58 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.50 1mdk h HIS 43 CO -0.66 0.32 0.19 0.77 -1.30 0.00 0.00 177.93 177.25 1mdk h SER 44 N 0.07 0.87 0.00 3.26 0.02 -0.72 -1.76 113.55 115.29 1mdk h SER 44 Ca 0.01 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1mdk h SER 44 Cb 0.48 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1mdk h SER 44 CO 0.03 0.85 0.34 0.18 -1.14 0.00 0.00 176.83 177.09 1mdk n LEU 45 N -4.40 0.24 -0.10 5.07 4.77 -0.08 -0.60 117.00 121.89 1mdk n LEU 45 Ca 0.03 0.46 0.09 0.00 -0.03 0.00 0.00 56.01 56.57 1mdk n LEU 45 Cb 0.21 -0.40 0.45 0.00 -2.33 0.00 0.00 43.42 41.35 1mdk n LEU 45 CO 0.40 -0.54 1.19 0.28 -1.33 0.00 0.00 177.39 177.39 1mdk h SER 46 N 0.00 0.47 0.43 -1.43 0.02 -1.45 0.25 113.55 111.84 1mdk h SER 46 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1mdk h SER 46 Cb 0.68 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1mdk h SER 46 CO 0.00 0.30 -1.26 -0.62 -1.14 0.00 0.00 176.83 174.10 1mdk n GLU 47 N -4.48 0.44 -0.01 3.45 -0.58 0.23 -4.08 120.64 115.61 1mdk n GLU 47 Ca 0.09 -0.02 -0.22 0.00 -0.42 0.00 0.00 57.16 56.59 1mdk n GLU 47 Cb 0.29 -1.62 -0.14 0.00 -0.57 0.00 0.00 31.44 29.40 1mdk n GLU 47 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1mdk h LYS 48 N 0.00 0.23 -2.47 3.49 3.64 -1.35 -3.40 116.57 116.70 1mdk h LYS 48 Ca 0.00 -0.39 -0.67 0.00 -1.27 0.00 0.00 60.65 58.31 1mdk h LYS 48 Cb 0.84 0.15 -0.37 0.00 -0.41 0.00 0.00 32.23 32.44 1mdk h LYS 48 CO 0.00 1.19 -0.11 0.66 -2.27 0.00 0.00 179.45 178.91 1mdk n TYR 49 N -3.69 3.19 0.53 1.91 4.01 0.80 -4.83 117.16 119.10 1mdk n TYR 49 Ca -0.31 -3.63 0.05 0.00 -0.16 0.00 0.00 57.90 53.86 1mdk n TYR 49 Cb 0.98 -0.81 0.28 0.00 -0.31 0.00 0.00 39.34 39.48 1mdk n TYR 49 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1mdk n SER 50 N 1.05 0.00 -0.77 7.72 3.41 -1.26 -1.19 113.62 122.58 1mdk n SER 50 Ca 0.28 0.08 0.12 0.00 -0.26 0.00 0.00 58.87 59.10 1mdk n SER 50 Cb 0.38 -0.25 0.30 0.00 -0.26 0.00 0.00 64.21 64.37 1mdk n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1mdk n ASN 51 N -1.25 2.38 -4.43 4.04 2.85 -1.26 -4.56 115.26 113.02 1mdk n ASN 51 Ca 0.05 -1.79 -0.29 0.00 -0.11 0.00 0.00 54.58 52.45 1mdk n ASN 51 Cb 0.08 -0.05 -0.12 0.00 1.24 0.00 0.00 39.78 40.93 1mdk n ASN 51 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1mdk s VAL 52 N -1.91 2.46 -0.22 3.44 1.01 -0.34 -4.58 120.40 120.26 1mdk s VAL 52 Ca 0.33 -1.75 -0.10 0.00 0.00 0.00 0.00 61.98 60.47 1mdk s VAL 52 Cb 0.20 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 1mdk s VAL 52 CO 0.31 0.04 0.14 -0.63 0.00 0.00 0.00 175.10 174.96 1mdk s ILE 53 N -1.23 5.24 -0.15 2.22 -1.09 -0.88 -4.08 121.20 121.24 1mdk s ILE 53 Ca 0.17 0.13 -0.02 0.00 -2.23 0.00 0.00 60.65 58.70 1mdk s ILE 53 Cb -0.10 -3.42 -0.02 0.00 -1.58 0.00 0.00 42.46 37.34 1mdk s ILE 53 CO 0.08 0.38 -0.09 -0.36 -1.23 0.00 0.00 174.94 173.72 1mdk s PHE 54 N 0.84 2.90 0.44 3.97 0.08 -1.19 -1.75 117.98 123.28 1mdk s PHE 54 Ca 0.07 -0.53 0.06 0.00 0.12 0.00 0.00 56.93 56.65 1mdk s PHE 54 Cb -0.13 -1.91 -0.03 0.00 -0.57 0.00 0.00 43.02 40.39 1mdk s PHE 54 CO 0.02 -0.17 0.22 -0.51 -0.10 0.00 0.00 175.22 174.69 1mdk s LEU 55 N 0.43 3.00 -0.04 -0.37 1.02 -0.34 -1.97 118.68 120.40 1mdk s LEU 55 Ca -0.07 -1.13 -0.05 0.00 0.02 0.00 0.00 54.13 52.89 1mdk s LEU 55 Cb -0.15 -1.39 0.01 0.00 0.02 0.00 0.00 46.19 44.68 1mdk s LEU 55 CO 0.04 -0.68 0.14 -0.70 0.02 0.00 0.00 176.35 175.17 1mdk s GLU 56 N -3.99 0.23 -0.01 1.70 2.12 -0.56 -2.69 118.70 115.51 1mdk s GLU 56 Ca 0.37 0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.78 1mdk s GLU 56 Cb 0.02 0.11 0.01 0.00 0.26 0.00 0.00 34.13 34.52 1mdk s GLU 56 CO 0.21 -0.04 -0.00 0.08 -0.54 0.00 0.00 175.26 174.97 1mdk s VAL 57 N -0.23 0.07 -0.42 3.70 1.01 -1.00 -1.28 120.40 122.24 1mdk s VAL 57 Ca -0.03 0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.82 1mdk s VAL 57 Cb -0.02 -0.11 0.03 0.00 0.00 0.00 0.00 36.38 36.27 1mdk s VAL 57 CO 0.00 0.05 0.35 -0.62 0.00 0.00 0.00 175.10 174.89 1mdk s ASP 58 N 0.34 6.14 0.19 3.32 2.15 -1.26 -3.08 116.67 124.47 1mdk s ASP 58 Ca -0.03 -0.89 0.16 0.00 0.43 0.00 0.00 52.55 52.22 1mdk s ASP 58 Cb -0.05 -2.18 0.77 0.00 -0.30 0.00 0.00 42.92 41.16 1mdk s ASP 58 CO -0.01 -0.52 1.49 1.33 -0.17 0.00 0.00 175.17 177.29 1mdk n VAL 59 N 5.25 1.21 -0.12 1.11 0.24 -1.26 0.23 118.33 124.98 1mdk n VAL 59 Ca -0.10 0.49 -0.17 0.00 -2.04 0.00 0.00 64.34 62.52 1mdk n VAL 59 Cb 0.47 -1.44 -0.11 0.00 -1.47 0.00 0.00 33.84 31.28 1mdk n VAL 59 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1mdk n ASP 60 N -1.97 2.07 0.03 -1.34 8.00 -1.26 -3.82 116.55 118.26 1mdk n ASP 60 Ca 0.00 -0.12 0.11 0.00 0.71 0.00 0.00 54.79 55.49 1mdk n ASP 60 Cb 0.09 -0.40 0.03 0.00 -0.02 0.00 0.00 41.12 40.82 1mdk n ASP 60 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1mdk n ASP 61 N -3.25 0.62 -2.36 -2.24 2.03 -1.15 -4.21 116.55 105.99 1mdk n ASP 61 Ca -0.44 -0.17 -0.20 0.00 0.52 0.00 0.00 54.79 54.50 1mdk n ASP 61 Cb 0.97 0.75 0.02 0.00 -0.72 0.00 0.00 41.12 42.14 1mdk n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mdk n ALA 62 N -1.84 4.49 0.15 -1.67 0.00 0.14 -4.83 120.51 116.95 1mdk n ALA 62 Ca 0.02 -3.74 0.08 0.00 0.00 0.00 0.00 53.44 49.80 1mdk n ALA 62 Cb 0.44 -0.55 0.43 0.00 0.00 0.00 0.00 19.45 19.78 1mdk n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mdk n GLN 63 N -0.54 0.11 -0.06 0.00 10.64 -1.25 -0.70 117.38 125.57 1mdk n GLN 63 Ca 0.33 0.59 -0.11 0.00 -1.83 0.00 0.00 57.00 55.98 1mdk n GLN 63 Cb 0.83 -2.01 0.03 0.00 -0.86 0.00 0.00 30.24 28.23 1mdk n GLN 63 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 1mdk h ASP 64 N 0.00 0.82 -0.03 2.61 2.03 -1.91 0.35 116.42 120.29 1mdk h ASP 64 Ca 0.00 -0.39 -0.08 0.00 -0.73 0.00 0.00 57.03 55.83 1mdk h ASP 64 Cb 0.32 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 1mdk h ASP 64 CO 0.00 1.14 -0.29 0.58 -1.03 0.00 0.00 179.24 179.64 1mdk h VAL 65 N 0.61 1.49 -0.43 4.15 2.07 -1.29 -2.33 116.25 120.52 1mdk h VAL 65 Ca 0.04 -1.83 -0.03 0.00 0.82 0.00 0.00 66.70 65.70 1mdk h VAL 65 Cb 0.99 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 33.30 1mdk h VAL 65 CO 0.09 0.51 0.13 0.00 0.02 0.00 0.00 177.57 178.33 1mdk h ALA 66 N 0.34 1.43 -0.34 1.67 0.00 -1.50 -0.83 119.26 120.02 1mdk h ALA 66 Ca -0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1mdk h ALA 66 Cb 0.99 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1mdk h ALA 66 CO 0.06 0.42 0.09 0.77 0.00 0.00 0.00 179.25 180.59 1mdk h SER 67 N 0.61 0.51 -0.66 0.00 0.02 -0.28 1.83 113.55 115.59 1mdk h SER 67 Ca 0.14 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.82 1mdk h SER 67 Cb 0.19 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1mdk h SER 67 CO -0.01 0.60 0.23 -0.08 -1.14 0.00 0.00 176.83 176.43 1mdk h GLU 68 N 0.39 1.01 -0.01 3.45 4.57 -0.88 -2.05 114.58 121.07 1mdk h GLU 68 Ca 0.11 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1mdk h GLU 68 Cb 0.29 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1mdk h GLU 68 CO 0.00 0.87 -0.17 0.00 -1.18 0.00 0.00 179.01 178.53 1mdk n ALA 69 N -2.41 2.89 -3.76 2.92 0.00 -0.37 -4.95 120.51 114.84 1mdk n ALA 69 Ca 0.04 -0.36 -0.27 0.00 0.00 0.00 0.00 53.44 52.85 1mdk n ALA 69 Cb 0.20 -1.22 0.02 0.00 0.00 0.00 0.00 19.45 18.46 1mdk n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1mdk n GLU 70 N -0.65 -2.53 -2.70 0.00 -0.58 0.61 -4.89 120.64 109.90 1mdk n GLU 70 Ca 0.14 0.48 -0.43 0.00 -0.42 0.00 0.00 57.16 56.93 1mdk n GLU 70 Cb 0.32 -4.46 -0.02 0.00 -0.57 0.00 0.00 31.44 26.70 1mdk n GLU 70 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1mdk s VAL 71 N -3.66 4.75 -0.74 2.62 1.01 -0.59 -4.89 120.40 118.91 1mdk s VAL 71 Ca 0.24 2.00 0.07 0.00 0.00 0.00 0.00 61.98 64.30 1mdk s VAL 71 Cb -0.08 -4.30 0.13 0.00 0.00 0.00 0.00 36.38 32.13 1mdk s VAL 71 CO 0.86 -0.06 0.96 0.29 0.00 0.00 0.00 175.10 177.15 1mdk n LYS 72 N 5.51 1.55 -3.72 2.72 5.02 -1.26 -4.94 118.16 123.04 1mdk n LYS 72 Ca 0.10 -1.42 -0.14 0.00 -2.02 0.00 0.00 58.31 54.82 1mdk n LYS 72 Cb 0.48 -1.16 -0.08 0.00 -0.02 0.00 0.00 35.03 34.25 1mdk n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mdk s ALA 73 N -0.81 -0.98 0.06 7.82 0.00 -1.26 -5.17 121.76 121.41 1mdk s ALA 73 Ca 0.12 0.64 0.05 0.00 0.00 0.00 0.00 51.96 52.76 1mdk s ALA 73 Cb 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1mdk s ALA 73 CO 0.10 -0.27 -0.13 0.95 0.00 0.00 0.00 175.76 176.41 1mdk s THR 74 N -1.03 1.01 0.36 0.00 -4.23 -1.26 -3.89 115.64 106.61 1mdk s THR 74 Ca -0.11 -1.20 -0.25 0.00 -1.18 0.00 0.00 61.69 58.96 1mdk s THR 74 Cb -0.04 -0.98 -0.10 0.00 1.34 0.00 0.00 72.50 72.73 1mdk s THR 74 CO 0.04 -0.20 0.98 -2.16 -0.54 0.00 0.00 174.62 172.74 1mdk s PRO 75 N -1.58 4.40 -0.25 3.99 0.04 -1.26 -4.83 135.00 135.51 1mdk s PRO 75 Ca -0.02 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.36 1mdk s PRO 75 Cb -0.09 -2.62 0.03 0.00 0.04 0.00 0.00 34.50 31.85 1mdk s PRO 75 CO 0.02 0.10 -0.07 0.99 0.04 0.00 0.00 177.00 178.08 1mdk s THR 76 N -1.72 2.80 -0.28 1.26 2.01 -1.19 -3.23 115.64 115.29 1mdk s THR 76 Ca 0.54 -1.07 -0.19 0.00 0.31 0.00 0.00 61.69 61.28 1mdk s THR 76 Cb -0.18 -2.43 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 1mdk s THR 76 CO 0.23 0.19 0.58 -0.36 -0.69 0.00 0.00 174.62 174.57 1mdk s PHE 77 N 1.31 3.24 -0.05 4.92 0.08 -0.57 -2.55 117.98 124.36 1mdk s PHE 77 Ca -0.00 0.61 0.06 0.00 0.12 0.00 0.00 56.93 57.72 1mdk s PHE 77 Cb -0.17 -2.86 -0.01 0.00 -0.57 0.00 0.00 43.02 39.41 1mdk s PHE 77 CO -0.05 -0.38 -0.25 -0.65 -0.10 0.00 0.00 175.22 173.79 1mdk s GLN 78 N 2.46 2.50 -0.14 0.44 -0.21 -1.02 -0.24 119.66 123.44 1mdk s GLN 78 Ca 0.23 -0.91 -0.04 0.00 0.02 0.00 0.00 55.36 54.66 1mdk s GLN 78 Cb -0.15 -2.15 -0.03 0.00 1.00 0.00 0.00 33.01 31.68 1mdk s GLN 78 CO 0.10 0.41 -0.01 -0.06 -2.12 0.00 0.00 175.29 173.61 1mdk s PHE 79 N -0.22 3.11 0.18 0.91 0.40 -0.46 -0.38 117.98 121.51 1mdk s PHE 79 Ca -0.02 -0.09 0.09 0.00 -0.60 0.00 0.00 56.93 56.31 1mdk s PHE 79 Cb -0.13 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 1mdk s PHE 79 CO 0.03 0.13 -0.18 -0.06 0.70 0.00 0.00 175.22 175.84 1mdk s PHE 80 N 0.07 1.83 -0.25 0.36 0.08 0.76 -2.49 117.98 118.34 1mdk s PHE 80 Ca 0.02 -0.48 -0.09 0.00 0.12 0.00 0.00 56.93 56.50 1mdk s PHE 80 Cb -0.13 -0.89 0.11 0.00 -0.57 0.00 0.00 43.02 41.53 1mdk s PHE 80 CO 0.02 0.36 0.54 0.21 -0.10 0.00 0.00 175.22 176.24 1mdk s LYS 81 N -2.97 0.46 -1.44 0.44 2.20 0.17 -2.08 119.74 116.53 1mdk s LYS 81 Ca 0.18 1.22 -0.05 0.00 -0.36 0.00 0.00 55.97 56.96 1mdk s LYS 81 Cb -0.05 0.54 0.03 0.00 -1.51 0.00 0.00 37.83 36.84 1mdk s LYS 81 CO 0.07 -0.22 0.45 1.63 -0.36 0.00 0.00 175.35 176.93 1mdk n LYS 82 N 5.29 -3.87 -0.99 4.03 5.02 -1.26 -0.27 118.16 126.10 1mdk n LYS 82 Ca -0.12 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1mdk n LYS 82 Cb 0.50 -5.52 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 1mdk n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1mdk n GLY 83 N -1.29 0.81 3.53 0.72 0.00 -1.26 -5.01 105.19 102.68 1mdk n GLY 83 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 1mdk n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mdk s GLN 84 N -0.04 2.18 0.21 1.61 -0.21 0.63 -5.12 119.66 118.92 1mdk s GLN 84 Ca 0.00 -0.95 -0.19 0.00 0.02 0.00 0.00 55.36 54.25 1mdk s GLN 84 Cb 0.00 -2.29 -0.08 0.00 1.00 0.00 0.00 33.01 31.64 1mdk s GLN 84 CO 0.00 0.54 0.69 0.21 -2.12 0.00 0.00 175.29 174.62 1mdk s LYS 85 N -1.70 4.21 0.00 2.91 2.20 -1.26 0.44 119.74 126.54 1mdk s LYS 85 Ca 0.17 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 56.59 1mdk s LYS 85 Cb -0.11 -2.90 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 1mdk s LYS 85 CO 0.08 0.42 0.00 1.33 -0.36 0.00 0.00 175.35 176.82 1mdk n VAL 86 N 0.77 0.00 -3.79 4.02 0.24 -1.04 -4.91 118.33 113.62 1mdk n VAL 86 Ca -0.03 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.29 1mdk n VAL 86 Cb 0.51 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.15 1mdk n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1mdk s GLY 87 N -1.24 -0.28 -0.18 7.63 0.00 -1.25 -5.04 107.32 106.96 1mdk s GLY 87 Ca 0.00 0.39 -0.33 0.00 0.00 0.00 0.00 44.72 44.79 1mdk s GLY 87 CO 0.00 2.82 1.17 -1.83 0.00 0.00 0.00 173.10 175.27 1mdk s GLU 88 N -2.19 0.35 -0.29 2.90 -1.05 -1.26 -1.35 118.70 115.81 1mdk s GLU 88 Ca 0.22 -0.07 -0.18 0.00 -0.15 0.00 0.00 54.97 54.79 1mdk s GLU 88 Cb 0.03 0.16 0.14 0.00 -0.44 0.00 0.00 34.13 34.02 1mdk s GLU 88 CO -0.03 -0.14 0.98 -0.59 0.95 0.00 0.00 175.26 176.43 1mdk s PHE 89 N -2.07 -0.56 0.00 4.83 -0.12 0.67 -5.00 117.98 115.73 1mdk s PHE 89 Ca 0.07 1.16 0.00 0.00 -0.05 0.00 0.00 56.93 58.12 1mdk s PHE 89 Cb -0.01 0.36 0.00 0.00 -0.63 0.00 0.00 43.02 42.74 1mdk s PHE 89 CO -0.05 -0.28 0.00 -1.13 -0.05 0.00 0.00 175.22 173.71 1mdk n SER 90 N 3.44 0.34 -0.44 1.98 3.41 -1.26 -1.51 113.62 119.57 1mdk n SER 90 Ca -0.17 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1mdk n SER 90 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1mdk n SER 90 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mdk n GLY 91 N 5.00 -3.64 3.52 5.00 0.00 -1.20 -4.67 105.19 109.21 1mdk n GLY 91 Ca 0.00 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 1mdk n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mdk n ALA 92 N -0.06 0.66 -3.26 4.61 0.00 -1.26 -4.75 120.51 116.46 1mdk n ALA 92 Ca 0.00 -0.84 -0.25 0.00 0.00 0.00 0.00 53.44 52.35 1mdk n ALA 92 Cb 0.00 -2.74 -0.08 0.00 0.00 0.00 0.00 19.45 16.64 1mdk n ALA 92 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1mdk n ASN 93 N 12.01 0.52 -0.31 0.00 4.05 -1.26 -4.97 115.26 125.30 1mdk n ASN 93 Ca 0.56 -2.74 -0.03 0.00 0.45 0.00 0.00 54.58 52.82 1mdk n ASN 93 Cb 0.26 -0.63 0.11 0.00 1.23 0.00 0.00 39.78 40.75 1mdk n ASN 93 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 177.26 174.28 1mdk h LYS 94 N 4.27 1.21 0.00 1.20 2.10 -1.98 -2.08 116.57 121.29 1mdk h LYS 94 Ca 0.11 -0.14 -0.03 0.00 -2.00 0.00 0.00 60.65 58.59 1mdk h LYS 94 Cb 0.86 -0.24 -0.00 0.00 -0.90 0.00 0.00 32.23 31.95 1mdk h LYS 94 CO 0.49 0.89 -0.16 0.93 -2.00 0.00 0.00 179.45 179.60 1mdk h GLU 95 N 1.21 0.00 -0.11 0.07 5.08 -2.00 -2.12 114.58 116.71 1mdk h GLU 95 Ca 0.30 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.55 1mdk h GLU 95 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1mdk h GLU 95 CO -0.05 0.16 -0.42 -0.22 -1.00 0.00 0.00 179.01 177.48 1mdk h LYS 96 N 0.00 0.26 -0.99 2.33 3.64 -1.79 -2.84 116.57 117.17 1mdk h LYS 96 Ca -0.00 -0.12 0.20 0.00 -1.27 0.00 0.00 60.65 59.46 1mdk h LYS 96 Cb 0.40 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.12 1mdk h LYS 96 CO 0.02 0.64 0.62 -0.07 -2.27 0.00 0.00 179.45 178.38 1mdk h LEU 97 N 0.22 0.69 0.23 5.20 3.38 -1.34 0.24 115.31 123.92 1mdk h LEU 97 Ca 0.02 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1mdk h LEU 97 Cb 0.83 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1mdk h LEU 97 CO 0.07 0.23 -0.11 -0.08 0.09 0.00 0.00 178.44 178.64 1mdk h GLU 98 N 0.67 -0.30 -0.81 1.13 4.81 -1.63 -0.78 114.58 117.68 1mdk h GLU 98 Ca 0.57 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.84 1mdk h GLU 98 Cb 1.01 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 1mdk h GLU 98 CO -0.35 0.01 0.53 0.00 -0.73 0.00 0.00 179.01 178.47 1mdk h ALA 99 N 0.07 1.04 -0.37 2.92 0.00 -1.26 -1.29 119.26 120.36 1mdk h ALA 99 Ca -0.03 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1mdk h ALA 99 Cb 0.44 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1mdk h ALA 99 CO 0.05 0.39 -0.11 1.15 0.00 0.00 0.00 179.25 180.73 1mdk h THR 100 N 1.06 1.28 0.21 0.00 2.02 -0.54 -1.70 112.91 115.23 1mdk h THR 100 Ca 0.31 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 1mdk h THR 100 Cb -0.07 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1mdk h THR 100 CO -0.09 0.40 -0.10 0.40 0.37 0.00 0.00 175.52 176.50 1mdk h ILE 101 N 0.52 0.82 0.00 3.11 2.04 -0.84 -1.16 117.51 122.01 1mdk h ILE 101 Ca 0.09 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1mdk h ILE 101 Cb 0.63 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 1mdk h ILE 101 CO 0.04 0.04 0.00 -1.13 0.00 0.00 0.00 178.15 177.10 1mdk h ASN 102 N -0.35 0.00 0.18 1.72 -0.73 -1.22 0.18 115.58 115.37 1mdk h ASN 102 Ca -0.03 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.13 1mdk h ASN 102 Cb 0.27 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.86 1mdk h ASN 102 CO 0.05 0.00 -0.09 -0.08 -0.37 0.00 0.00 177.43 176.94 1mdk h GLU 103 N 0.00 -0.24 -0.75 6.67 4.81 -0.25 -3.32 114.58 121.50 1mdk h GLU 103 Ca 0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1mdk h GLU 103 Cb 0.06 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1mdk h GLU 103 CO 0.00 -0.11 0.02 1.28 -0.73 0.00 0.00 179.01 179.47 1mdk n LEU 104 N -4.94 4.08 0.00 1.64 4.77 -0.89 -5.10 117.00 116.56 1mdk n LEU 104 Ca -0.04 -2.07 0.03 0.00 -0.03 0.00 0.00 56.01 53.90 1mdk n LEU 104 Cb 0.12 -0.62 0.18 0.00 -2.33 0.00 0.00 43.42 40.77 1mdk n LEU 104 CO 0.10 0.51 0.42 0.55 -1.33 0.00 0.00 177.39 177.63