#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 3.96 -0.23 2.03 1.01 -1.26 -3.22 120.40 122.68 1mdk s VAL 2 Ca 0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 1mdk s VAL 2 Cb 0.00 -3.45 0.10 0.00 0.00 0.00 0.00 36.38 33.03 1mdk s VAL 2 CO 0.00 -0.29 0.50 -0.75 0.00 0.00 0.00 175.10 174.56 1mdk s LYS 3 N -4.50 0.43 0.01 2.72 2.20 -0.63 -4.95 119.74 115.02 1mdk s LYS 3 Ca 0.48 1.16 -0.20 0.00 -0.36 0.00 0.00 55.97 57.06 1mdk s LYS 3 Cb -0.10 0.48 -0.06 0.00 -1.51 0.00 0.00 37.83 36.64 1mdk s LYS 3 CO 0.37 -0.22 0.56 -1.14 -0.36 0.00 0.00 175.35 174.56 1mdk s GLN 4 N 2.58 4.25 -0.32 4.03 0.74 -1.26 -1.79 119.66 127.89 1mdk s GLN 4 Ca -0.04 0.69 -0.08 0.00 0.05 0.00 0.00 55.36 55.98 1mdk s GLN 4 Cb -0.11 -3.31 0.02 0.00 1.10 0.00 0.00 33.01 30.70 1mdk s GLN 4 CO -0.15 0.46 0.12 0.42 -0.55 0.00 0.00 175.29 175.59 1mdk s ILE 5 N -0.48 4.17 -0.68 -2.34 -1.09 -0.74 -4.91 121.20 115.13 1mdk s ILE 5 Ca 0.29 -0.76 0.21 0.00 -2.23 0.00 0.00 60.65 58.17 1mdk s ILE 5 Cb -0.18 -3.22 -0.26 0.00 -1.58 0.00 0.00 42.46 37.22 1mdk s ILE 5 CO 0.17 -0.03 0.77 -0.62 -1.23 0.00 0.00 174.94 174.00 1mdk n GLU 6 N 4.90 0.22 -3.62 2.79 -0.58 -1.26 -4.47 120.64 118.62 1mdk n GLU 6 Ca -0.13 -0.06 -0.11 0.00 -0.42 0.00 0.00 57.16 56.43 1mdk n GLU 6 Cb 0.47 -1.51 -0.05 0.00 -0.57 0.00 0.00 31.44 29.79 1mdk n GLU 6 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1mdk s SER 7 N -3.51 -0.27 0.63 1.62 1.04 -1.26 -4.70 113.70 107.25 1mdk s SER 7 Ca 0.03 -0.22 0.28 0.00 0.48 0.00 0.00 55.95 56.53 1mdk s SER 7 Cb 0.15 0.47 1.50 0.00 0.10 0.00 0.00 66.02 68.24 1mdk s SER 7 CO 0.88 -0.82 1.88 0.50 0.98 0.00 0.00 173.24 176.66 1mdk h LYS 8 N 2.48 0.00 0.13 4.02 3.64 -1.93 -1.66 116.57 123.24 1mdk h LYS 8 Ca -0.33 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.04 1mdk h LYS 8 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1mdk h LYS 8 CO 0.45 0.00 -0.06 1.15 -2.27 0.00 0.00 179.45 178.72 1mdk h THR 9 N 0.00 0.90 0.00 1.00 2.02 -2.00 -2.42 112.91 112.40 1mdk h THR 9 Ca 0.11 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1mdk h THR 9 Cb 0.97 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1mdk h THR 9 CO -0.00 0.02 -0.10 0.00 0.37 0.00 0.00 175.52 175.81 1mdk h ALA 10 N 0.65 1.08 0.54 6.16 0.00 -1.69 -3.06 119.26 122.94 1mdk h ALA 10 Ca -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1mdk h ALA 10 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1mdk h ALA 10 CO 0.03 0.13 -0.29 0.35 0.00 0.00 0.00 179.25 179.47 1mdk h PHE 11 N 0.00 -0.75 -0.47 0.00 3.57 -1.36 0.20 116.94 118.13 1mdk h PHE 11 Ca -0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1mdk h PHE 11 Cb 0.49 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.44 1mdk h PHE 11 CO 0.00 -0.45 0.18 1.96 -2.23 0.00 0.00 178.31 177.77 1mdk h GLN 12 N -0.76 0.34 -0.66 1.11 4.20 -1.57 -0.88 115.11 116.89 1mdk h GLN 12 Ca -0.07 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.67 1mdk h GLN 12 Cb 0.59 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 1mdk h GLN 12 CO 0.10 0.23 0.44 0.93 -0.67 0.00 0.00 178.83 179.86 1mdk h GLU 13 N 0.35 0.68 -0.33 1.46 5.08 -1.44 -1.74 114.58 118.64 1mdk h GLU 13 Ca 0.22 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1mdk h GLU 13 Cb 0.22 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1mdk h GLU 13 CO -0.22 0.45 0.20 0.00 -1.00 0.00 0.00 179.01 178.43 1mdk h ALA 14 N 1.64 0.42 -0.42 3.43 0.00 0.86 0.13 119.26 125.32 1mdk h ALA 14 Ca 0.28 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1mdk h ALA 14 Cb 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1mdk h ALA 14 CO -0.09 -0.08 0.17 -0.07 0.00 0.00 0.00 179.25 179.18 1mdk h LEU 15 N 0.43 0.58 -0.99 0.00 3.38 -1.09 0.16 115.31 117.77 1mdk h LEU 15 Ca 0.12 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1mdk h LEU 15 Cb 0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1mdk h LEU 15 CO -0.02 0.59 0.05 -0.78 0.09 0.00 0.00 178.44 178.37 1mdk h ASP 16 N 0.53 0.74 1.79 -0.43 3.58 -1.07 -2.16 116.42 119.40 1mdk h ASP 16 Ca 0.14 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1mdk h ASP 16 Cb 0.19 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1mdk h ASP 16 CO -0.01 0.78 0.00 0.00 -2.88 0.00 0.00 179.24 177.13 1mdk h ALA 17 N 1.31 1.00 0.00 -0.78 0.00 -0.39 -3.08 119.26 117.33 1mdk h ALA 17 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1mdk h ALA 17 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1mdk h ALA 17 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1mdk n ALA 18 N -2.03 1.74 -0.76 0.00 0.00 0.53 -4.90 120.51 115.09 1mdk n ALA 18 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1mdk n ALA 18 Cb 0.49 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.20 1.10 0.00 0.00 0.00 -1.17 -2.53 105.19 102.39 1mdk n GLY 19 Ca 0.06 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 9.90 0.10 -4.43 1.61 8.00 -1.26 -4.48 116.55 125.99 1mdk n ASP 20 Ca 0.00 -1.00 -0.29 0.00 0.71 0.00 0.00 54.79 54.21 1mdk n ASP 20 Cb 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.30 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 -0.00 -0.11 0.94 -1.24 1.02 -1.05 -4.76 119.74 114.53 1mdk s LYS 21 Ca 0.00 0.32 -0.11 0.00 0.02 0.00 0.00 55.97 56.20 1mdk s LYS 21 Cb 0.00 -1.69 0.15 0.00 -0.52 0.00 0.00 37.83 35.77 1mdk s LYS 21 CO 0.00 -3.05 1.09 -1.17 -0.92 0.00 0.00 175.35 171.30 1mdk s LEU 22 N -6.61 2.17 -0.25 3.17 0.20 -1.26 -4.68 118.68 111.42 1mdk s LEU 22 Ca 0.67 1.66 -0.02 0.00 0.69 0.00 0.00 54.13 57.13 1mdk s LEU 22 Cb -0.16 -4.00 0.11 0.00 -0.43 0.00 0.00 46.19 41.71 1mdk s LEU 22 CO 0.57 -2.97 0.25 -0.69 -0.29 0.00 0.00 176.35 173.22 1mdk s VAL 23 N -2.79 -0.35 -0.15 1.68 1.01 -0.83 -2.28 120.40 116.68 1mdk s VAL 23 Ca 0.65 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 1mdk s VAL 23 Cb -0.20 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 1mdk s VAL 23 CO 0.58 -0.35 0.06 -0.69 0.00 0.00 0.00 175.10 174.71 1mdk s VAL 24 N 2.34 4.83 -0.11 2.92 1.01 -0.70 -0.48 120.40 130.19 1mdk s VAL 24 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1mdk s VAL 24 Cb -0.15 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1mdk s VAL 24 CO -0.23 0.52 -0.07 -0.69 0.00 0.00 0.00 175.10 174.63 1mdk s VAL 25 N -0.13 3.65 -0.41 2.92 1.01 0.01 -1.34 120.40 126.10 1mdk s VAL 25 Ca 0.07 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 1mdk s VAL 25 Cb -0.12 -2.54 0.08 0.00 0.00 0.00 0.00 36.38 33.80 1mdk s VAL 25 CO 0.01 0.54 0.23 -0.62 0.00 0.00 0.00 175.10 175.27 1mdk s ASP 26 N -0.12 5.55 -1.18 3.32 2.15 -1.14 -2.52 116.67 122.73 1mdk s ASP 26 Ca 0.01 -1.53 -0.16 0.00 0.43 0.00 0.00 52.55 51.30 1mdk s ASP 26 Cb -0.13 -1.95 0.13 0.00 -0.30 0.00 0.00 42.92 40.67 1mdk s ASP 26 CO 0.03 -0.52 1.47 -0.36 -0.17 0.00 0.00 175.17 175.62 1mdk s PHE 27 N 1.39 3.18 0.07 -5.34 0.40 -0.92 -2.60 117.98 114.16 1mdk s PHE 27 Ca 0.03 -1.80 0.07 0.00 -0.60 0.00 0.00 56.93 54.63 1mdk s PHE 27 Cb -0.23 -4.46 -0.04 0.00 0.51 0.00 0.00 43.02 38.81 1mdk s PHE 27 CO 0.01 -1.56 -0.12 -1.12 0.70 0.00 0.00 175.22 173.13 1mdk s SER 28 N 3.48 4.24 -0.20 1.36 0.01 -1.19 -3.10 113.70 118.30 1mdk s SER 28 Ca 0.44 -0.37 -0.18 0.00 1.31 0.00 0.00 55.95 57.15 1mdk s SER 28 Cb -0.01 -0.79 -0.03 0.00 0.21 0.00 0.00 66.02 65.40 1mdk s SER 28 CO -0.00 0.21 0.52 0.00 0.41 0.00 0.00 173.24 174.38 1mdk s ALA 29 N -1.10 3.54 0.39 1.44 0.00 -1.26 -4.23 121.76 120.54 1mdk s ALA 29 Ca 0.19 -0.40 0.27 0.00 0.00 0.00 0.00 51.96 52.01 1mdk s ALA 29 Cb -0.11 -2.81 1.39 0.00 0.00 0.00 0.00 23.12 21.58 1mdk s ALA 29 CO 0.10 -0.44 2.04 0.00 0.00 0.00 0.00 175.76 177.47 1mdk h THR 30 N 5.12 0.58 0.00 0.00 1.03 -1.98 -2.05 112.91 115.60 1mdk h THR 30 Ca -0.34 -0.60 0.00 0.00 -0.01 0.00 0.00 66.41 65.47 1mdk h THR 30 Cb 1.15 1.39 0.00 0.00 -1.07 0.00 0.00 68.15 69.62 1mdk h THR 30 CO 0.74 0.13 -0.60 -2.67 -0.01 0.00 0.00 175.52 173.11 1mdk n TRP 31 N -3.63 0.39 -3.40 0.00 4.27 -1.26 -4.77 117.44 109.04 1mdk n TRP 31 Ca -0.02 0.11 -0.40 0.00 -3.89 0.00 0.00 57.50 53.31 1mdk n TRP 31 Cb 0.26 -0.54 -0.09 0.00 -1.36 0.00 0.00 31.31 29.57 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 8.71 -0.71 -0.31 0.00 0.00 -1.86 -2.21 103.07 106.69 1mdk h GLY 33 Ca -0.31 0.32 0.30 0.00 0.00 0.00 0.00 47.33 47.65 1mdk h GLY 33 CO 0.67 -0.27 0.73 -2.55 0.00 0.00 0.00 176.54 175.12 1mdk h PRO 34 N -0.66 0.27 0.12 4.80 0.11 -1.93 1.01 132.00 135.71 1mdk h PRO 34 Ca -0.03 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 1mdk h PRO 34 Cb 0.57 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1mdk h PRO 34 CO -0.00 0.18 -0.06 0.00 -0.21 0.00 0.00 178.00 177.91 1mdk h ALA 35 N 1.58 -0.16 0.00 -0.75 0.00 -1.77 -3.26 119.26 114.89 1mdk h ALA 35 Ca 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1mdk h ALA 35 Cb 1.79 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1mdk h ALA 35 CO -0.26 -0.15 0.02 -0.22 0.00 0.00 0.00 179.25 178.63 1mdk h LYS 36 N -0.99 0.00 -0.06 0.00 3.64 -0.82 -1.99 116.57 116.35 1mdk h LYS 36 Ca -0.02 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1mdk h LYS 36 Cb 0.12 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1mdk h LYS 36 CO 0.03 0.00 0.07 1.98 -2.27 0.00 0.00 179.45 179.26 1mdk h MET 37 N 0.00 0.00 -0.63 1.90 4.05 0.10 -0.02 114.93 120.33 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 0.03 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 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 -3.76 1.37 0.16 1.77 5.41 -0.75 -4.33 119.36 119.23 1mdk n ILE 38 Ca -0.01 -0.94 0.01 0.00 1.00 0.00 0.00 62.75 62.80 1mdk n ILE 38 Cb 0.17 0.13 0.31 0.00 -0.71 0.00 0.00 39.64 39.54 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 3.46 0.07 0.00 0.38 2.10 -1.17 -2.74 116.57 118.67 1mdk h LYS 39 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1mdk h LYS 39 Cb 1.16 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1mdk h LYS 39 CO 0.16 0.45 0.00 -0.35 -2.00 0.00 0.00 179.45 177.70 1mdk n PRO 40 N -4.07 0.40 0.00 0.07 -0.05 -1.26 -2.69 135.00 127.40 1mdk n PRO 40 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.43 1mdk n PRO 40 Cb 0.43 -1.13 0.00 0.00 -0.05 0.00 0.00 33.50 32.75 1mdk n PRO 40 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1mdk n PHE 41 N -0.63 0.00 -0.27 0.54 3.01 -1.05 -4.39 117.46 114.68 1mdk n PHE 41 Ca 0.02 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.42 1mdk n PHE 41 Cb 0.01 0.07 -0.01 0.00 -0.01 0.00 0.00 39.48 39.54 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 -1.22 0.00 1.38 3.57 -1.64 0.71 116.94 119.74 1mdk h PHE 42 Ca 0.00 0.09 -0.06 0.00 3.53 0.00 0.00 57.97 61.53 1mdk h PHE 42 Cb 0.00 0.64 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1mdk h PHE 42 CO 0.00 -0.41 -0.29 1.25 -2.23 0.00 0.00 178.31 176.64 1mdk h HIS 43 N -0.14 0.00 -0.35 0.41 2.76 -1.76 -2.98 115.15 113.10 1mdk h HIS 43 Ca 0.23 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.36 1mdk h HIS 43 Cb 0.56 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.50 1mdk h HIS 43 CO -0.77 0.29 0.06 0.66 -1.30 0.00 0.00 177.93 176.87 1mdk h SER 44 N 0.00 0.55 0.00 3.26 4.64 0.27 -2.28 113.55 119.99 1mdk h SER 44 Ca -0.00 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1mdk h SER 44 Cb 0.61 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1mdk h SER 44 CO 0.04 0.67 0.40 0.18 -0.87 0.00 0.00 176.83 177.24 1mdk n LEU 45 N -4.58 0.25 0.03 5.97 4.77 -0.09 -0.57 117.00 122.79 1mdk n LEU 45 Ca -0.02 0.47 0.11 0.00 -0.03 0.00 0.00 56.01 56.54 1mdk n LEU 45 Cb 0.22 -0.38 0.56 0.00 -2.33 0.00 0.00 43.42 41.49 1mdk n LEU 45 CO 0.38 -0.55 1.15 0.28 -1.33 0.00 0.00 177.39 177.32 1mdk h SER 46 N 0.00 0.23 0.50 -1.43 0.02 -1.55 0.50 113.55 111.81 1mdk h SER 46 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1mdk h SER 46 Cb 0.79 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.29 1mdk h SER 46 CO 0.00 0.15 -1.46 -0.62 -1.14 0.00 0.00 176.83 173.76 1mdk n GLU 47 N -4.47 0.61 0.07 3.45 -0.58 0.27 -3.87 120.64 116.11 1mdk n GLU 47 Ca 0.05 -0.03 0.08 0.00 -0.42 0.00 0.00 57.16 56.84 1mdk n GLU 47 Cb 0.28 -1.67 -0.04 0.00 -0.57 0.00 0.00 31.44 29.44 1mdk n GLU 47 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1mdk n LYS 48 N -2.43 0.62 -3.33 3.49 4.81 -0.62 -4.53 118.16 116.16 1mdk n LYS 48 Ca -0.02 0.11 -0.26 0.00 -0.87 0.00 0.00 58.31 57.28 1mdk n LYS 48 Cb 0.55 -1.78 -0.08 0.00 0.02 0.00 0.00 35.03 33.74 1mdk n LYS 48 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1mdk n TYR 49 N -2.69 0.66 0.56 5.64 4.01 0.16 -4.91 117.16 120.60 1mdk n TYR 49 Ca -0.04 -3.70 0.06 0.00 -0.16 0.00 0.00 57.90 54.07 1mdk n TYR 49 Cb 0.64 -0.29 0.31 0.00 -0.31 0.00 0.00 39.34 39.68 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 1.61 0.00 -0.81 7.72 3.41 -1.25 -1.58 113.62 122.72 1mdk n SER 50 Ca 0.25 0.21 0.12 0.00 -0.26 0.00 0.00 58.87 59.19 1mdk n SER 50 Cb 0.48 -0.34 0.26 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.34 2.52 -4.56 4.04 5.15 -1.26 -4.18 115.26 115.63 1mdk n ASN 51 Ca 0.05 -1.83 -0.31 0.00 -0.60 0.00 0.00 54.58 51.89 1mdk n ASN 51 Cb 0.12 -0.04 -0.11 0.00 -0.53 0.00 0.00 39.78 39.22 1mdk n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1mdk s VAL 52 N -1.92 3.36 -0.29 3.44 1.01 -0.62 -4.52 120.40 120.87 1mdk s VAL 52 Ca 0.33 -1.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.16 1mdk s VAL 52 Cb 0.20 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1mdk s VAL 52 CO 0.31 0.29 0.19 -0.63 0.00 0.00 0.00 175.10 175.25 1mdk s ILE 53 N -1.05 5.24 -0.16 2.22 -1.09 -0.97 -3.80 121.20 121.59 1mdk s ILE 53 Ca 0.18 0.10 -0.04 0.00 -2.23 0.00 0.00 60.65 58.66 1mdk s ILE 53 Cb -0.11 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 1mdk s ILE 53 CO 0.09 0.22 -0.03 -0.36 -1.23 0.00 0.00 174.94 173.63 1mdk s PHE 54 N 1.75 3.04 0.45 3.97 0.08 -1.20 -1.72 117.98 124.35 1mdk s PHE 54 Ca 0.07 -0.27 0.06 0.00 0.12 0.00 0.00 56.93 56.91 1mdk s PHE 54 Cb -0.16 -1.96 -0.02 0.00 -0.57 0.00 0.00 43.02 40.31 1mdk s PHE 54 CO 0.10 -0.02 0.26 -0.51 -0.10 0.00 0.00 175.22 174.96 1mdk s LEU 55 N 0.35 3.00 -0.01 -0.37 1.02 -0.45 -1.60 118.68 120.63 1mdk s LEU 55 Ca -0.04 -1.10 -0.03 0.00 0.02 0.00 0.00 54.13 52.98 1mdk s LEU 55 Cb -0.14 -1.44 0.00 0.00 0.02 0.00 0.00 46.19 44.63 1mdk s LEU 55 CO 0.03 -0.73 0.06 -0.70 0.02 0.00 0.00 176.35 175.03 1mdk s GLU 56 N -4.05 0.21 -0.01 1.70 2.12 -0.74 -2.89 118.70 115.04 1mdk s GLU 56 Ca 0.38 -0.15 -0.02 0.00 0.36 0.00 0.00 54.97 55.54 1mdk s GLU 56 Cb 0.01 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.49 1mdk s GLU 56 CO 0.22 -0.04 0.05 0.08 -0.54 0.00 0.00 175.26 175.03 1mdk s VAL 57 N -0.57 0.03 -0.65 3.70 1.01 -1.07 -1.79 120.40 121.06 1mdk s VAL 57 Ca -0.06 -0.21 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 1mdk s VAL 57 Cb -0.04 -0.15 0.16 0.00 0.00 0.00 0.00 36.38 36.34 1mdk s VAL 57 CO 0.00 -0.12 0.63 -0.62 0.00 0.00 0.00 175.10 175.00 1mdk s ASP 58 N -0.34 6.39 0.00 3.32 2.15 -1.26 -3.15 116.67 123.78 1mdk s ASP 58 Ca -0.04 -2.05 0.00 0.00 0.43 0.00 0.00 52.55 50.90 1mdk s ASP 58 Cb -0.03 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.37 1mdk s ASP 58 CO 0.00 -0.81 0.57 1.33 -0.17 0.00 0.00 175.17 176.09 1mdk n VAL 59 N 4.88 0.51 -0.10 1.11 0.24 -1.26 -0.12 118.33 123.59 1mdk n VAL 59 Ca -0.03 0.15 -0.19 0.00 -2.04 0.00 0.00 64.34 62.23 1mdk n VAL 59 Cb 0.43 -1.15 -0.08 0.00 -1.47 0.00 0.00 33.84 31.56 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 -1.07 1.85 -0.01 -1.34 8.00 -1.26 -4.46 116.55 118.25 1mdk n ASP 60 Ca 0.00 0.12 0.04 0.00 0.71 0.00 0.00 54.79 55.66 1mdk n ASP 60 Cb 0.03 -0.50 -0.13 0.00 -0.02 0.00 0.00 41.12 40.50 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 -3.61 0.26 -2.35 -2.24 -0.08 -0.95 -4.29 116.55 103.29 1mdk n ASP 61 Ca -0.39 0.11 -0.33 0.00 -1.51 0.00 0.00 54.79 52.67 1mdk n ASP 61 Cb 0.82 1.23 0.06 0.00 2.34 0.00 0.00 41.12 45.57 1mdk n ASP 61 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1mdk n ALA 62 N -2.40 6.02 0.03 -1.67 0.00 0.83 -4.70 120.51 118.63 1mdk n ALA 62 Ca -0.12 -3.67 0.01 0.00 0.00 0.00 0.00 53.44 49.66 1mdk n ALA 62 Cb 0.76 -1.43 0.08 0.00 0.00 0.00 0.00 19.45 18.86 1mdk n ALA 62 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1mdk n GLN 63 N -0.80 0.02 -0.10 0.00 7.27 -1.26 -0.98 117.38 121.54 1mdk n GLN 63 Ca 0.57 0.41 -0.12 0.00 0.07 0.00 0.00 57.00 57.92 1mdk n GLN 63 Cb 0.67 -1.70 -0.04 0.00 2.41 0.00 0.00 30.24 31.58 1mdk n GLN 63 CO 0.00 0.00 0.00 0.38 0.07 0.00 0.00 177.06 177.51 1mdk h ASP 64 N 0.00 0.66 -0.04 1.69 2.03 -1.92 0.91 116.42 119.74 1mdk h ASP 64 Ca 0.00 -0.43 -0.10 0.00 -0.73 0.00 0.00 57.03 55.76 1mdk h ASP 64 Cb 0.27 -0.18 0.01 0.00 -0.83 0.00 0.00 39.33 38.60 1mdk h ASP 64 CO 0.00 0.95 -0.38 0.58 -1.03 0.00 0.00 179.24 179.36 1mdk h VAL 65 N 0.37 1.45 -0.06 4.15 2.07 -1.44 -2.78 116.25 120.00 1mdk h VAL 65 Ca 0.06 -1.85 -0.04 0.00 0.82 0.00 0.00 66.70 65.68 1mdk h VAL 65 Cb 0.72 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1mdk h VAL 65 CO 0.05 0.53 -0.17 0.00 0.02 0.00 0.00 177.57 178.00 1mdk h ALA 66 N 0.37 1.61 0.33 1.67 0.00 -1.50 -1.54 119.26 120.19 1mdk h ALA 66 Ca -0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1mdk h ALA 66 Cb 1.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1mdk h ALA 66 CO 0.08 0.29 -0.16 0.77 0.00 0.00 0.00 179.25 180.23 1mdk h SER 67 N 0.09 -0.37 -0.17 0.00 0.02 0.94 0.17 113.55 114.23 1mdk h SER 67 Ca 0.02 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 1mdk h SER 67 Cb 0.36 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1mdk h SER 67 CO 0.02 -0.11 0.00 -0.08 -1.14 0.00 0.00 176.83 175.53 1mdk h GLU 68 N -0.64 0.41 -0.04 3.45 4.81 -1.29 -1.31 114.58 119.97 1mdk h GLU 68 Ca -0.04 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1mdk h GLU 68 Cb 0.46 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1mdk h GLU 68 CO 0.07 0.44 0.00 0.00 -0.73 0.00 0.00 179.01 178.79 1mdk n ALA 69 N -2.48 2.59 -4.09 2.92 0.00 -0.60 -4.93 120.51 113.92 1mdk n ALA 69 Ca 0.01 -0.39 -0.28 0.00 0.00 0.00 0.00 53.44 52.78 1mdk n ALA 69 Cb 0.21 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.08 -2.29 -2.68 0.00 4.71 0.52 -4.88 120.64 115.95 1mdk n GLU 70 Ca 0.19 0.28 -0.42 0.00 -0.01 0.00 0.00 57.16 57.20 1mdk n GLU 70 Cb 0.28 -4.11 -0.03 0.00 -1.01 0.00 0.00 31.44 26.57 1mdk n GLU 70 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1mdk s VAL 71 N -4.10 4.76 0.00 2.62 1.01 -0.77 -4.90 120.40 119.01 1mdk s VAL 71 Ca 0.02 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.00 1mdk s VAL 71 Cb -0.01 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1mdk s VAL 71 CO 0.93 0.16 0.63 0.29 0.00 0.00 0.00 175.10 177.11 1mdk n LYS 72 N 3.85 1.01 -3.70 2.72 5.02 -1.26 -4.95 118.16 120.85 1mdk n LYS 72 Ca 0.06 -0.82 -0.11 0.00 -2.02 0.00 0.00 58.31 55.42 1mdk n LYS 72 Cb 0.50 -0.75 -0.10 0.00 -0.02 0.00 0.00 35.03 34.67 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 -0.38 -1.14 0.13 7.82 0.00 -1.26 -5.17 121.76 121.76 1mdk s ALA 73 Ca 0.00 1.49 0.11 0.00 0.00 0.00 0.00 51.96 53.56 1mdk s ALA 73 Cb 0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1mdk s ALA 73 CO 0.00 -0.25 -0.26 0.95 0.00 0.00 0.00 175.76 176.19 1mdk s THR 74 N 0.92 2.30 0.37 0.00 -4.23 -1.26 -3.76 115.64 109.98 1mdk s THR 74 Ca -0.06 -1.76 -0.25 0.00 -1.18 0.00 0.00 61.69 58.45 1mdk s THR 74 Cb -0.06 -2.03 -0.09 0.00 1.34 0.00 0.00 72.50 71.66 1mdk s THR 74 CO -0.08 0.08 1.02 -2.16 -0.54 0.00 0.00 174.62 172.94 1mdk s PRO 75 N -2.10 4.33 -0.19 3.99 0.04 -1.26 -4.80 135.00 135.01 1mdk s PRO 75 Ca 0.15 1.46 -0.02 0.00 0.04 0.00 0.00 61.00 62.63 1mdk s PRO 75 Cb -0.10 -2.65 -0.00 0.00 0.04 0.00 0.00 34.50 31.79 1mdk s PRO 75 CO 0.06 0.02 -0.11 0.99 0.04 0.00 0.00 177.00 178.01 1mdk s THR 76 N -1.63 2.91 -0.27 1.26 2.01 -1.18 -2.81 115.64 115.93 1mdk s THR 76 Ca 0.55 -0.66 -0.12 0.00 0.31 0.00 0.00 61.69 61.77 1mdk s THR 76 Cb -0.21 -2.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.97 1mdk s THR 76 CO 0.27 0.48 0.22 -0.36 -0.69 0.00 0.00 174.62 174.53 1mdk s PHE 77 N 1.20 3.25 -0.06 4.92 0.08 -0.51 -2.17 117.98 124.68 1mdk s PHE 77 Ca 0.02 0.19 0.06 0.00 0.12 0.00 0.00 56.93 57.32 1mdk s PHE 77 Cb -0.14 -2.39 -0.01 0.00 -0.57 0.00 0.00 43.02 39.91 1mdk s PHE 77 CO -0.04 -0.12 -0.24 -0.65 -0.10 0.00 0.00 175.22 174.06 1mdk s GLN 78 N 1.66 2.53 -0.18 0.44 -0.21 -1.05 -0.55 119.66 122.30 1mdk s GLN 78 Ca 0.09 -0.89 -0.04 0.00 0.02 0.00 0.00 55.36 54.53 1mdk s GLN 78 Cb -0.15 -2.17 -0.02 0.00 1.00 0.00 0.00 33.01 31.66 1mdk s GLN 78 CO 0.10 0.40 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.57 1mdk s PHE 79 N -0.21 2.99 0.18 0.91 0.40 -0.53 -0.81 117.98 120.90 1mdk s PHE 79 Ca -0.02 -0.49 0.08 0.00 -0.60 0.00 0.00 56.93 55.90 1mdk s PHE 79 Cb -0.13 -2.01 -0.04 0.00 0.51 0.00 0.00 43.02 41.34 1mdk s PHE 79 CO 0.03 -0.21 -0.16 -0.06 0.70 0.00 0.00 175.22 175.52 1mdk s PHE 80 N 0.75 1.73 -0.23 0.36 0.08 0.36 -2.07 117.98 118.97 1mdk s PHE 80 Ca -0.01 -0.51 -0.11 0.00 0.12 0.00 0.00 56.93 56.41 1mdk s PHE 80 Cb -0.14 -0.85 0.08 0.00 -0.57 0.00 0.00 43.02 41.54 1mdk s PHE 80 CO 0.02 0.32 0.53 0.21 -0.10 0.00 0.00 175.22 176.21 1mdk s LYS 81 N -3.09 0.50 -1.51 0.44 2.20 0.15 -1.96 119.74 116.47 1mdk s LYS 81 Ca 0.17 1.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.87 1mdk s LYS 81 Cb -0.04 0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.54 1mdk s LYS 81 CO 0.06 -0.18 0.00 1.63 -0.36 0.00 0.00 175.35 176.50 1mdk n LYS 82 N 4.73 -1.69 -0.74 4.03 5.02 -1.26 0.28 118.16 128.52 1mdk n LYS 82 Ca -0.17 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 56.96 1mdk n LYS 82 Cb 0.54 -5.32 0.00 0.00 -0.02 0.00 0.00 35.03 30.23 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 -0.61 0.71 3.52 0.72 0.00 -1.26 -5.02 105.19 103.25 1mdk n GLY 83 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.26 2.15 0.21 1.61 -0.21 0.14 -5.12 119.66 118.18 1mdk s GLN 84 Ca 0.00 -0.96 -0.20 0.00 0.02 0.00 0.00 55.36 54.22 1mdk s GLN 84 Cb 0.00 -2.27 -0.08 0.00 1.00 0.00 0.00 33.01 31.66 1mdk s GLN 84 CO 0.00 0.54 0.71 0.21 -2.12 0.00 0.00 175.29 174.63 1mdk s LYS 85 N -1.72 4.27 0.00 2.91 2.20 -1.26 0.35 119.74 126.48 1mdk s LYS 85 Ca 0.17 0.87 0.00 0.00 -0.36 0.00 0.00 55.97 56.66 1mdk s LYS 85 Cb -0.11 -2.94 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 1mdk s LYS 85 CO 0.08 0.43 0.00 1.33 -0.36 0.00 0.00 175.35 176.83 1mdk n VAL 86 N 0.86 0.00 -3.90 4.02 0.24 -0.88 -4.91 118.33 113.75 1mdk n VAL 86 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1mdk n VAL 86 Cb 0.51 -0.42 0.01 0.00 -1.47 0.00 0.00 33.84 32.47 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 -2.15 -0.08 -0.20 7.63 0.00 -1.25 -5.04 107.32 106.24 1mdk s GLY 87 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 44.72 44.39 1mdk s GLY 87 CO 0.00 3.77 1.18 -1.83 0.00 0.00 0.00 173.10 176.22 1mdk s GLU 88 N -2.15 0.34 -0.29 2.90 -1.05 -1.26 -1.46 118.70 115.73 1mdk s GLU 88 Ca 0.25 -0.01 -0.19 0.00 -0.15 0.00 0.00 54.97 54.87 1mdk s GLU 88 Cb -0.01 0.16 0.14 0.00 -0.44 0.00 0.00 34.13 33.98 1mdk s GLU 88 CO 0.01 -0.13 1.00 -0.59 0.95 0.00 0.00 175.26 176.50 1mdk s PHE 89 N -1.66 -0.54 0.29 4.83 -0.12 0.28 -5.00 117.98 116.06 1mdk s PHE 89 Ca 0.06 1.14 0.04 0.00 -0.05 0.00 0.00 56.93 58.11 1mdk s PHE 89 Cb -0.01 0.36 0.04 0.00 -0.63 0.00 0.00 43.02 42.78 1mdk s PHE 89 CO -0.04 -0.26 0.30 -1.13 -0.05 0.00 0.00 175.22 174.04 1mdk n SER 90 N 3.23 1.55 0.00 1.98 3.41 -1.26 -1.43 113.62 121.10 1mdk n SER 90 Ca -0.17 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 1mdk n SER 90 Cb 0.57 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 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 1.46 1.40 3.55 5.00 0.00 -1.12 -4.81 105.19 110.67 1mdk n GLY 91 Ca 0.03 -1.42 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 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 2.30 0.39 -3.24 4.61 0.00 -1.26 -4.72 120.51 118.59 1mdk n ALA 92 Ca 0.00 -1.40 -0.25 0.00 0.00 0.00 0.00 53.44 51.79 1mdk n ALA 92 Cb 0.00 -3.20 -0.08 0.00 0.00 0.00 0.00 19.45 16.17 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 17.72 0.02 0.02 0.00 2.85 -1.26 -4.95 115.26 129.67 1mdk n ASN 93 Ca 0.48 -2.62 -0.01 0.00 -0.11 0.00 0.00 54.58 52.32 1mdk n ASN 93 Cb 0.41 -0.62 0.27 0.00 1.24 0.00 0.00 39.78 41.08 1mdk n ASN 93 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 1mdk h LYS 94 N 4.40 0.46 0.00 1.20 2.10 -1.97 -2.12 116.57 120.64 1mdk h LYS 94 Ca 0.12 -0.13 -0.03 0.00 -2.00 0.00 0.00 60.65 58.61 1mdk h LYS 94 Cb 0.89 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 32.16 1mdk h LYS 94 CO 0.44 0.58 -0.16 0.93 -2.00 0.00 0.00 179.45 179.25 1mdk h GLU 95 N 0.42 0.00 -0.25 0.07 5.08 -1.99 -1.93 114.58 115.98 1mdk h GLU 95 Ca 0.08 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 1mdk h GLU 95 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1mdk h GLU 95 CO 0.03 0.16 -0.35 -0.22 -1.00 0.00 0.00 179.01 177.62 1mdk h LYS 96 N 0.00 0.54 -0.96 2.33 3.64 -1.80 -2.70 116.57 117.63 1mdk h LYS 96 Ca -0.00 -0.25 0.22 0.00 -1.27 0.00 0.00 60.65 59.34 1mdk h LYS 96 Cb 0.36 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.09 1mdk h LYS 96 CO 0.02 0.82 0.62 -0.07 -2.27 0.00 0.00 179.45 178.57 1mdk h LEU 97 N 0.45 0.48 0.65 5.20 3.38 -1.34 0.26 115.31 124.39 1mdk h LEU 97 Ca 0.05 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1mdk h LEU 97 Cb 0.83 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.56 1mdk h LEU 97 CO 0.07 0.17 -0.31 -0.08 0.09 0.00 0.00 178.44 178.37 1mdk h GLU 98 N 0.47 -0.84 -0.79 1.13 4.81 -1.57 0.23 114.58 118.02 1mdk h GLU 98 Ca 0.52 0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.83 1mdk h GLU 98 Cb 1.21 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.74 1mdk h GLU 98 CO -0.24 -0.52 0.51 0.00 -0.73 0.00 0.00 179.01 178.03 1mdk h ALA 99 N -0.97 1.03 -0.10 2.92 0.00 -1.35 0.82 119.26 121.61 1mdk h ALA 99 Ca -0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1mdk h ALA 99 Cb 0.71 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1mdk h ALA 99 CO 0.15 0.35 -0.03 1.15 0.00 0.00 0.00 179.25 180.87 1mdk h THR 100 N 1.01 1.30 0.01 0.00 2.02 -0.51 -1.83 112.91 114.91 1mdk h THR 100 Ca 0.31 -0.97 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 1mdk h THR 100 Cb -0.04 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1mdk h THR 100 CO -0.09 0.28 -0.00 0.40 0.37 0.00 0.00 175.52 176.47 1mdk h ILE 101 N -0.14 1.09 0.00 3.11 2.04 -0.33 -1.01 117.51 122.26 1mdk h ILE 101 Ca 0.02 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1mdk h ILE 101 Cb 0.45 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1mdk h ILE 101 CO 0.01 0.07 0.03 -1.13 0.00 0.00 0.00 178.15 177.13 1mdk h ASN 102 N -0.14 0.00 0.12 1.72 -1.24 -0.84 0.11 115.58 115.31 1mdk h ASN 102 Ca -0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1mdk h ASN 102 Cb 0.13 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.18 1mdk h ASN 102 CO 0.00 0.00 -0.06 -0.08 -1.29 0.00 0.00 177.43 176.01 1mdk h GLU 103 N 0.00 -0.15 -0.77 6.67 4.81 -0.30 -3.34 114.58 121.50 1mdk h GLU 103 Ca 0.00 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1mdk h GLU 103 Cb 0.05 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1mdk h GLU 103 CO 0.00 -0.10 0.05 1.28 -0.73 0.00 0.00 179.01 179.51 1mdk n LEU 104 N -4.28 4.09 0.00 1.64 4.77 -1.00 -5.11 117.00 117.10 1mdk n LEU 104 Ca -0.02 -2.08 0.03 0.00 -0.03 0.00 0.00 56.01 53.90 1mdk n LEU 104 Cb 0.06 -0.63 0.16 0.00 -2.33 0.00 0.00 43.42 40.68 1mdk n LEU 104 CO 0.05 0.52 0.39 0.55 -1.33 0.00 0.00 177.39 177.57