#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 5.25 -0.23 1.12 1.01 -1.26 -0.30 120.40 125.99 1mdk s VAL 2 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 1mdk s VAL 2 Cb 0.00 -3.67 0.11 0.00 0.00 0.00 0.00 36.38 32.82 1mdk s VAL 2 CO 0.00 -0.01 0.48 -0.75 0.00 0.00 0.00 175.10 174.82 1mdk s LYS 3 N -2.87 0.40 0.01 2.72 2.20 -0.53 -4.94 119.74 116.73 1mdk s LYS 3 Ca 0.38 1.10 -0.20 0.00 -0.36 0.00 0.00 55.97 56.89 1mdk s LYS 3 Cb -0.12 0.42 -0.06 0.00 -1.51 0.00 0.00 37.83 36.56 1mdk s LYS 3 CO 0.27 -0.29 0.60 -1.14 -0.36 0.00 0.00 175.35 174.43 1mdk s GLN 4 N 2.69 4.31 -0.33 4.03 0.74 -1.26 -1.23 119.66 128.61 1mdk s GLN 4 Ca -0.01 0.75 -0.08 0.00 0.05 0.00 0.00 55.36 56.07 1mdk s GLN 4 Cb -0.12 -3.33 0.02 0.00 1.10 0.00 0.00 33.01 30.68 1mdk s GLN 4 CO -0.15 0.41 0.13 0.42 -0.55 0.00 0.00 175.29 175.55 1mdk s ILE 5 N -0.34 4.22 -0.90 -2.34 -1.09 -0.12 -4.91 121.20 115.73 1mdk s ILE 5 Ca 0.31 -0.75 0.21 0.00 -2.23 0.00 0.00 60.65 58.19 1mdk s ILE 5 Cb -0.18 -3.25 -0.24 0.00 -1.58 0.00 0.00 42.46 37.20 1mdk s ILE 5 CO 0.18 -0.04 0.85 -0.62 -1.23 0.00 0.00 174.94 174.08 1mdk n GLU 6 N 4.91 0.09 -3.61 2.79 1.02 -1.26 -4.31 120.64 120.28 1mdk n GLU 6 Ca -0.13 -0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 56.87 1mdk n GLU 6 Cb 0.47 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.35 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 -3.15 -0.31 0.62 1.62 1.04 -1.26 -4.63 113.70 107.63 1mdk s SER 7 Ca 0.06 -0.14 0.28 0.00 0.48 0.00 0.00 55.95 56.64 1mdk s SER 7 Cb 0.16 0.48 1.49 0.00 0.10 0.00 0.00 66.02 68.24 1mdk s SER 7 CO 0.87 -0.80 1.88 0.50 0.98 0.00 0.00 173.24 176.67 1mdk h LYS 8 N 2.54 0.00 0.09 4.02 3.64 -1.93 -1.23 116.57 123.70 1mdk h LYS 8 Ca -0.33 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1mdk h LYS 8 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1mdk h LYS 8 CO 0.44 0.00 -0.05 1.15 -2.27 0.00 0.00 179.45 178.73 1mdk h THR 9 N 0.00 0.97 0.00 1.00 2.02 -2.01 -2.46 112.91 112.43 1mdk h THR 9 Ca 0.14 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 1mdk h THR 9 Cb 1.03 1.11 -0.00 0.00 -1.74 0.00 0.00 68.15 68.55 1mdk h THR 9 CO -0.00 0.05 -0.08 0.00 0.37 0.00 0.00 175.52 175.87 1mdk h ALA 10 N 0.67 1.04 0.58 6.16 0.00 -1.63 -3.09 119.26 122.99 1mdk h ALA 10 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1mdk h ALA 10 Cb 0.19 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1mdk h ALA 10 CO 0.02 0.09 -0.28 0.35 0.00 0.00 0.00 179.25 179.43 1mdk h PHE 11 N 0.00 -0.73 -0.47 0.00 3.57 -1.24 0.19 116.94 118.25 1mdk h PHE 11 Ca -0.00 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.54 1mdk h PHE 11 Cb 0.51 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.44 1mdk h PHE 11 CO 0.00 -0.45 0.17 1.96 -2.23 0.00 0.00 178.31 177.76 1mdk h GLN 12 N -0.78 0.33 -0.58 1.11 4.20 -1.58 -0.93 115.11 116.88 1mdk h GLN 12 Ca -0.08 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.66 1mdk h GLN 12 Cb 0.60 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 1mdk h GLN 12 CO 0.13 0.22 0.38 0.93 -0.67 0.00 0.00 178.83 179.82 1mdk h GLU 13 N 0.34 0.59 -0.37 1.46 5.08 -1.46 -1.62 114.58 118.60 1mdk h GLU 13 Ca 0.22 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1mdk h GLU 13 Cb 0.23 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1mdk h GLU 13 CO -0.23 0.39 0.20 0.00 -1.00 0.00 0.00 179.01 178.37 1mdk h ALA 14 N 1.68 0.47 0.14 3.43 0.00 0.80 0.41 119.26 126.19 1mdk h ALA 14 Ca 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1mdk h ALA 14 Cb 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1mdk h ALA 14 CO -0.07 0.00 -0.07 -0.07 0.00 0.00 0.00 179.25 179.05 1mdk h LEU 15 N 0.47 -0.15 -1.23 0.00 3.38 -1.13 0.33 115.31 116.97 1mdk h LEU 15 Ca 0.13 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1mdk h LEU 15 Cb 0.06 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1mdk h LEU 15 CO -0.02 0.11 0.21 -0.78 0.09 0.00 0.00 178.44 178.05 1mdk h ASP 16 N -0.43 0.67 1.58 -0.43 3.58 -1.23 -1.07 116.42 119.10 1mdk h ASP 16 Ca -0.02 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1mdk h ASP 16 Cb 0.34 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1mdk h ASP 16 CO 0.03 0.61 0.00 0.00 -2.88 0.00 0.00 179.24 177.00 1mdk h ALA 17 N 1.49 1.00 0.00 -0.78 0.00 0.01 -3.11 119.26 117.87 1mdk h ALA 17 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1mdk h ALA 17 Cb 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1mdk h ALA 17 CO -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 179.21 1mdk h ALA 18 N 2.38 1.02 -0.03 0.00 0.00 0.10 -3.48 119.26 119.26 1mdk h ALA 18 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1mdk h ALA 18 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1mdk h ALA 18 CO 0.00 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1mdk n GLY 19 N -0.17 1.76 0.00 0.00 0.00 -1.18 -3.47 105.19 102.13 1mdk n GLY 19 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1mdk n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mdk n ASP 20 N 9.37 0.07 -4.64 1.61 -0.08 -1.26 -4.42 116.55 117.20 1mdk n ASP 20 Ca 0.00 -0.79 -0.29 0.00 -1.51 0.00 0.00 54.79 52.20 1mdk n ASP 20 Cb 0.00 0.02 0.19 0.00 2.34 0.00 0.00 41.12 43.67 1mdk n ASP 20 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1mdk s LYS 21 N -0.02 0.29 0.95 -0.67 1.02 -1.23 -4.78 119.74 115.31 1mdk s LYS 21 Ca 0.00 0.70 -0.11 0.00 0.02 0.00 0.00 55.97 56.58 1mdk s LYS 21 Cb 0.00 -1.71 0.16 0.00 -0.52 0.00 0.00 37.83 35.76 1mdk s LYS 21 CO 0.00 -2.87 1.10 -1.17 -0.92 0.00 0.00 175.35 171.49 1mdk s LEU 22 N -6.60 2.26 -0.25 3.17 0.20 -1.26 -4.70 118.68 111.49 1mdk s LEU 22 Ca 0.66 1.80 -0.03 0.00 0.69 0.00 0.00 54.13 57.25 1mdk s LEU 22 Cb -0.20 -4.13 0.11 0.00 -0.43 0.00 0.00 46.19 41.54 1mdk s LEU 22 CO 0.59 -3.08 0.22 -0.69 -0.29 0.00 0.00 176.35 173.10 1mdk s VAL 23 N -2.72 -0.28 -0.18 1.68 1.01 -0.88 -2.14 120.40 116.89 1mdk s VAL 23 Ca 0.65 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 62.14 1mdk s VAL 23 Cb -0.21 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1mdk s VAL 23 CO 0.59 -0.43 0.08 -0.69 0.00 0.00 0.00 175.10 174.64 1mdk s VAL 24 N 2.27 4.93 -0.12 2.92 1.01 -0.84 -0.65 120.40 129.93 1mdk s VAL 24 Ca 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.05 1mdk s VAL 24 Cb -0.15 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 1mdk s VAL 24 CO -0.26 0.47 -0.03 -0.69 0.00 0.00 0.00 175.10 174.59 1mdk s VAL 25 N 0.24 3.97 -0.44 2.92 1.01 0.10 -1.40 120.40 126.79 1mdk s VAL 25 Ca 0.05 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 1mdk s VAL 25 Cb -0.12 -2.69 0.10 0.00 0.00 0.00 0.00 36.38 33.67 1mdk s VAL 25 CO -0.00 0.55 0.29 -0.62 0.00 0.00 0.00 175.10 175.32 1mdk s ASP 26 N -0.26 5.61 -1.24 3.32 2.15 -1.08 -2.40 116.67 122.77 1mdk s ASP 26 Ca 0.05 -1.80 -0.16 0.00 0.43 0.00 0.00 52.55 51.07 1mdk s ASP 26 Cb -0.13 -1.97 0.11 0.00 -0.30 0.00 0.00 42.92 40.63 1mdk s ASP 26 CO 0.02 -0.62 1.58 -0.36 -0.17 0.00 0.00 175.17 175.63 1mdk s PHE 27 N 1.35 3.08 0.14 -5.34 0.40 -1.07 -2.60 117.98 113.95 1mdk s PHE 27 Ca 0.05 -1.81 0.08 0.00 -0.60 0.00 0.00 56.93 54.65 1mdk s PHE 27 Cb -0.25 -4.56 -0.04 0.00 0.51 0.00 0.00 43.02 38.69 1mdk s PHE 27 CO -0.00 -1.63 -0.10 -1.12 0.70 0.00 0.00 175.22 173.07 1mdk s SER 28 N 3.65 4.32 -0.19 1.36 0.01 -1.17 -3.09 113.70 118.59 1mdk s SER 28 Ca 0.48 -0.49 -0.15 0.00 1.31 0.00 0.00 55.95 57.11 1mdk s SER 28 Cb 0.01 -0.77 -0.04 0.00 0.21 0.00 0.00 66.02 65.42 1mdk s SER 28 CO 0.03 0.14 0.33 0.00 0.41 0.00 0.00 173.24 174.16 1mdk s ALA 29 N -1.45 3.57 0.33 1.44 0.00 -1.26 -4.12 121.76 120.26 1mdk s ALA 29 Ca 0.23 -0.53 0.24 0.00 0.00 0.00 0.00 51.96 51.89 1mdk s ALA 29 Cb -0.10 -2.51 1.16 0.00 0.00 0.00 0.00 23.12 21.68 1mdk s ALA 29 CO 0.14 -0.14 1.96 0.00 0.00 0.00 0.00 175.76 177.72 1mdk h THR 30 N 4.90 0.70 0.00 0.00 1.03 -1.98 -2.45 112.91 115.11 1mdk h THR 30 Ca -0.38 -0.84 0.00 0.00 -0.01 0.00 0.00 66.41 65.18 1mdk h THR 30 Cb 1.16 1.52 0.00 0.00 -1.07 0.00 0.00 68.15 69.77 1mdk h THR 30 CO 0.73 0.20 -0.55 -2.67 -0.01 0.00 0.00 175.52 173.21 1mdk n TRP 31 N -3.66 0.59 -3.40 0.00 4.27 -1.26 -4.82 117.44 109.16 1mdk n TRP 31 Ca -0.01 0.17 -0.37 0.00 -3.89 0.00 0.00 57.50 53.40 1mdk n TRP 31 Cb 0.32 -0.69 -0.06 0.00 -1.36 0.00 0.00 31.31 29.52 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 6.53 -0.73 -0.16 0.00 0.00 -1.88 -2.39 103.07 104.44 1mdk h GLY 33 Ca -0.42 0.27 0.27 0.00 0.00 0.00 0.00 47.33 47.46 1mdk h GLY 33 CO 0.74 -0.27 0.68 -2.55 0.00 0.00 0.00 176.54 175.15 1mdk h PRO 34 N -1.15 0.35 0.14 4.80 0.11 -1.94 1.45 132.00 135.75 1mdk h PRO 34 Ca -0.07 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 1mdk h PRO 34 Cb 0.57 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1mdk h PRO 34 CO 0.12 0.23 -0.07 0.00 -0.21 0.00 0.00 178.00 178.07 1mdk h ALA 35 N 1.61 -0.20 -0.00 -0.75 0.00 -1.85 -3.26 119.26 114.80 1mdk h ALA 35 Ca 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1mdk h ALA 35 Cb 1.57 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 1mdk h ALA 35 CO -0.28 -0.19 0.02 -0.22 0.00 0.00 0.00 179.25 178.59 1mdk h LYS 36 N -0.92 0.00 0.00 0.00 3.64 -0.97 -1.36 116.57 116.97 1mdk h LYS 36 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1mdk h LYS 36 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1mdk h LYS 36 CO 0.03 0.00 0.00 1.98 -2.27 0.00 0.00 179.45 179.19 1mdk h MET 37 N 0.00 0.00 -0.71 1.90 4.05 0.19 -1.02 114.93 119.34 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 0.05 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 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 -2.94 1.34 0.18 1.77 5.41 -0.51 -4.42 119.36 120.18 1mdk n ILE 38 Ca -0.02 -1.08 0.04 0.00 1.00 0.00 0.00 62.75 62.69 1mdk n ILE 38 Cb 0.11 0.35 0.32 0.00 -0.71 0.00 0.00 39.64 39.71 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 4.25 0.00 0.00 0.38 2.10 -1.34 -2.82 116.57 119.14 1mdk h LYS 39 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1mdk h LYS 39 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1mdk h LYS 39 CO 0.09 0.41 0.00 -2.30 -2.00 0.00 0.00 179.45 175.66 1mdk n PRO 40 N -3.65 0.15 0.00 0.07 -0.02 -1.26 -2.41 135.00 127.88 1mdk n PRO 40 Ca -0.01 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1mdk n PRO 40 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 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 -1.22 0.00 -0.40 6.00 3.01 -1.07 -4.06 117.46 119.72 1mdk n PHE 41 Ca 0.04 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.42 1mdk n PHE 41 Cb 0.06 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.47 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 -1.64 -0.24 1.38 3.57 -1.64 0.46 116.94 118.83 1mdk h PHE 42 Ca 0.00 0.12 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 1mdk h PHE 42 Cb 0.00 0.85 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 1mdk h PHE 42 CO 0.00 -0.38 -0.14 1.25 -2.23 0.00 0.00 178.31 176.80 1mdk h HIS 43 N -0.01 0.43 -0.41 0.41 2.76 -1.74 -2.74 115.15 113.85 1mdk h HIS 43 Ca 0.22 -0.06 -0.09 0.00 -2.20 0.00 0.00 60.37 58.23 1mdk h HIS 43 Cb 0.47 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.30 1mdk h HIS 43 CO -0.97 0.53 -0.11 0.66 -1.30 0.00 0.00 177.93 176.74 1mdk h SER 44 N 0.37 0.73 0.00 3.26 4.64 -0.27 -2.41 113.55 119.87 1mdk h SER 44 Ca 0.07 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1mdk h SER 44 Cb 0.48 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1mdk h SER 44 CO 0.03 0.86 0.47 -0.07 -0.87 0.00 0.00 176.83 177.25 1mdk h LEU 45 N 0.67 0.00 -2.45 5.97 3.38 -0.53 0.16 115.31 122.52 1mdk h LEU 45 Ca 0.12 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1mdk h LEU 45 Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1mdk h LEU 45 CO 0.04 0.00 0.16 0.28 0.09 0.00 0.00 178.44 179.01 1mdk h SER 46 N 0.00 0.00 0.18 -0.43 0.02 -1.56 0.58 113.55 112.34 1mdk h SER 46 Ca 0.00 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.71 1mdk h SER 46 Cb 0.94 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.44 1mdk h SER 46 CO 0.00 0.00 -2.05 -0.62 -1.14 0.00 0.00 176.83 173.02 1mdk n GLU 47 N -3.24 0.66 0.09 3.45 -0.58 0.57 -3.66 120.64 117.92 1mdk n GLU 47 Ca -0.01 0.02 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 1mdk n GLU 47 Cb 0.24 -1.60 0.03 0.00 -0.57 0.00 0.00 31.44 29.54 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 -2.69 0.52 -3.15 3.49 4.81 -0.38 -4.38 118.16 116.38 1mdk n LYS 48 Ca -0.20 0.10 -0.22 0.00 -0.87 0.00 0.00 58.31 57.11 1mdk n LYS 48 Cb 0.95 -1.78 -0.04 0.00 0.02 0.00 0.00 35.03 34.18 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 -2.50 1.35 0.57 5.64 4.01 0.19 -4.88 117.16 121.54 1mdk n TYR 49 Ca 0.01 -3.85 0.05 0.00 -0.16 0.00 0.00 57.90 53.95 1mdk n TYR 49 Cb 0.52 -0.44 0.29 0.00 -0.31 0.00 0.00 39.34 39.40 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 0.38 0.00 -0.78 7.72 3.41 -1.24 -1.08 113.62 122.02 1mdk n SER 50 Ca 0.26 -0.08 0.12 0.00 -0.26 0.00 0.00 58.87 58.91 1mdk n SER 50 Cb 0.55 -0.15 0.28 0.00 -0.26 0.00 0.00 64.21 64.63 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 -1.15 2.42 -4.45 4.04 2.85 -1.26 -4.61 115.26 113.10 1mdk n ASN 51 Ca 0.06 -1.80 -0.29 0.00 -0.11 0.00 0.00 54.58 52.44 1mdk n ASN 51 Cb 0.06 -0.04 -0.12 0.00 1.24 0.00 0.00 39.78 40.92 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 2.63 -0.25 3.44 1.01 -0.24 -4.59 120.40 120.49 1mdk s VAL 52 Ca 0.33 -1.64 -0.12 0.00 0.00 0.00 0.00 61.98 60.55 1mdk s VAL 52 Cb 0.20 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 1mdk s VAL 52 CO 0.31 0.07 0.22 -0.63 0.00 0.00 0.00 175.10 175.06 1mdk s ILE 53 N -1.19 5.31 -0.12 2.22 -1.09 -0.91 -3.29 121.20 122.13 1mdk s ILE 53 Ca 0.17 0.28 -0.01 0.00 -2.23 0.00 0.00 60.65 58.86 1mdk s ILE 53 Cb -0.10 -3.55 -0.02 0.00 -1.58 0.00 0.00 42.46 37.20 1mdk s ILE 53 CO 0.09 0.30 -0.08 -0.36 -1.23 0.00 0.00 174.94 173.66 1mdk s PHE 54 N 1.34 2.92 0.37 3.97 0.08 0.58 -1.99 117.98 125.26 1mdk s PHE 54 Ca 0.10 -0.32 0.08 0.00 0.12 0.00 0.00 56.93 56.90 1mdk s PHE 54 Cb -0.14 -1.85 -0.05 0.00 -0.57 0.00 0.00 43.02 40.41 1mdk s PHE 54 CO 0.07 0.01 0.12 -0.51 -0.10 0.00 0.00 175.22 174.81 1mdk s LEU 55 N 0.02 3.11 -0.02 -0.37 1.02 -0.49 -1.45 118.68 120.50 1mdk s LEU 55 Ca -0.02 -0.98 -0.01 0.00 0.02 0.00 0.00 54.13 53.14 1mdk s LEU 55 Cb -0.14 -1.48 0.02 0.00 0.02 0.00 0.00 46.19 44.62 1mdk s LEU 55 CO 0.03 -0.39 0.04 -0.70 0.02 0.00 0.00 176.35 175.35 1mdk s GLU 56 N -3.83 -0.00 0.00 1.70 2.12 -0.37 -2.65 118.70 115.68 1mdk s GLU 56 Ca 0.38 0.15 0.03 0.00 0.36 0.00 0.00 54.97 55.89 1mdk s GLU 56 Cb 0.01 -0.14 -0.01 0.00 0.26 0.00 0.00 34.13 34.25 1mdk s GLU 56 CO 0.22 -0.10 -0.10 0.08 -0.54 0.00 0.00 175.26 174.81 1mdk s VAL 57 N 0.67 0.81 -0.54 3.70 1.01 -1.07 -0.95 120.40 124.03 1mdk s VAL 57 Ca -0.05 -0.54 -0.17 0.00 0.00 0.00 0.00 61.98 61.22 1mdk s VAL 57 Cb -0.08 -0.70 0.11 0.00 0.00 0.00 0.00 36.38 35.71 1mdk s VAL 57 CO -0.02 0.15 0.53 -0.62 0.00 0.00 0.00 175.10 175.14 1mdk s ASP 58 N -0.44 6.18 0.00 3.32 2.15 -1.26 -3.06 116.67 123.56 1mdk s ASP 58 Ca 0.03 -1.57 0.02 0.00 0.43 0.00 0.00 52.55 51.46 1mdk s ASP 58 Cb -0.05 -2.23 0.12 0.00 -0.30 0.00 0.00 42.92 40.46 1mdk s ASP 58 CO -0.00 -0.87 0.80 1.33 -0.17 0.00 0.00 175.17 176.26 1mdk n VAL 59 N 5.32 0.76 -0.08 1.11 0.24 -1.26 0.27 118.33 124.70 1mdk n VAL 59 Ca -0.12 0.19 -0.13 0.00 -2.04 0.00 0.00 64.34 62.24 1mdk n VAL 59 Cb 0.42 -1.15 -0.07 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 -1.20 2.44 0.03 -1.34 8.00 -1.26 -4.34 116.55 118.87 1mdk n ASP 60 Ca 0.01 -0.03 0.08 0.00 0.71 0.00 0.00 54.79 55.56 1mdk n ASP 60 Cb 0.01 -0.30 -0.10 0.00 -0.02 0.00 0.00 41.12 40.71 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 -3.13 0.42 -2.35 -2.24 2.03 -1.07 -4.19 116.55 106.02 1mdk n ASP 61 Ca -0.30 0.17 -0.31 0.00 0.52 0.00 0.00 54.79 54.87 1mdk n ASP 61 Cb 0.79 1.10 0.04 0.00 -0.72 0.00 0.00 41.12 42.33 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 -2.30 5.74 0.11 -1.67 0.00 0.14 -4.75 120.51 117.79 1mdk n ALA 62 Ca -0.06 -3.83 0.05 0.00 0.00 0.00 0.00 53.44 49.60 1mdk n ALA 62 Cb 0.66 -1.14 0.27 0.00 0.00 0.00 0.00 19.45 19.24 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 -0.72 0.07 -0.09 0.00 10.64 -1.26 -0.74 117.38 125.29 1mdk n GLN 63 Ca 0.51 0.50 -0.14 0.00 -1.83 0.00 0.00 57.00 56.05 1mdk n GLN 63 Cb 0.69 -1.92 -0.05 0.00 -0.86 0.00 0.00 30.24 28.10 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 0.79 -0.05 2.61 2.03 -1.92 0.38 116.42 120.27 1mdk h ASP 64 Ca 0.00 -0.50 -0.09 0.00 -0.73 0.00 0.00 57.03 55.71 1mdk h ASP 64 Cb 0.41 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 38.69 1mdk h ASP 64 CO 0.00 1.13 -0.33 0.58 -1.03 0.00 0.00 179.24 179.59 1mdk h VAL 65 N 0.47 1.44 -0.32 4.15 2.07 -1.32 -2.45 116.25 120.30 1mdk h VAL 65 Ca 0.03 -1.79 -0.04 0.00 0.82 0.00 0.00 66.70 65.73 1mdk h VAL 65 Cb 0.95 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 33.12 1mdk h VAL 65 CO 0.08 0.51 0.02 0.00 0.02 0.00 0.00 177.57 178.20 1mdk h ALA 66 N 0.39 1.45 -0.14 1.67 0.00 -1.53 -0.63 119.26 120.47 1mdk h ALA 66 Ca -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1mdk h ALA 66 Cb 1.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1mdk h ALA 66 CO 0.07 0.40 0.05 0.77 0.00 0.00 0.00 179.25 180.53 1mdk h SER 67 N 0.47 0.20 -0.37 0.00 0.02 -0.17 1.97 113.55 115.67 1mdk h SER 67 Ca 0.10 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 1mdk h SER 67 Cb 0.27 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1mdk h SER 67 CO 0.01 0.33 0.00 -0.08 -1.14 0.00 0.00 176.83 175.95 1mdk h GLU 68 N 0.06 0.74 -0.00 3.45 4.57 -1.04 -2.24 114.58 120.11 1mdk h GLU 68 Ca 0.05 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1mdk h GLU 68 Cb 0.20 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1mdk h GLU 68 CO -0.00 0.75 -0.36 0.00 -1.18 0.00 0.00 179.01 178.22 1mdk n ALA 69 N -2.47 3.27 -3.70 2.92 0.00 -0.28 -4.97 120.51 115.27 1mdk n ALA 69 Ca 0.02 -0.36 -0.29 0.00 0.00 0.00 0.00 53.44 52.81 1mdk n ALA 69 Cb 0.29 -1.15 0.03 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.13 -1.12 -2.69 0.00 1.02 0.66 -4.90 120.64 112.47 1mdk n GLU 70 Ca 0.09 0.56 -0.40 0.00 -0.02 0.00 0.00 57.16 57.39 1mdk n GLU 70 Cb 0.34 -3.70 -0.05 0.00 -0.02 0.00 0.00 31.44 28.01 1mdk n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1mdk s VAL 71 N -3.33 4.14 0.00 2.62 1.01 -1.01 -4.93 120.40 118.90 1mdk s VAL 71 Ca 0.34 1.98 0.00 0.00 0.00 0.00 0.00 61.98 64.30 1mdk s VAL 71 Cb -0.14 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1mdk s VAL 71 CO 0.87 0.40 0.20 0.29 0.00 0.00 0.00 175.10 176.87 1mdk n LYS 72 N 1.99 1.90 -3.68 2.72 5.02 -1.26 -5.02 118.16 119.84 1mdk n LYS 72 Ca 0.00 -0.20 -0.09 0.00 -2.02 0.00 0.00 58.31 55.99 1mdk n LYS 72 Cb 0.47 -0.64 -0.10 0.00 -0.02 0.00 0.00 35.03 34.74 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 -0.33 -1.17 0.13 7.82 0.00 -1.26 -5.16 121.76 121.79 1mdk s ALA 73 Ca 0.00 1.61 0.06 0.00 0.00 0.00 0.00 51.96 53.63 1mdk s ALA 73 Cb 0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 1mdk s ALA 73 CO 0.00 -0.45 -0.01 0.95 0.00 0.00 0.00 175.76 176.25 1mdk s THR 74 N 1.84 3.82 0.33 0.00 -4.23 -1.26 -3.69 115.64 112.45 1mdk s THR 74 Ca -0.07 -1.20 -0.27 0.00 -1.18 0.00 0.00 61.69 58.98 1mdk s THR 74 Cb -0.09 -2.86 -0.09 0.00 1.34 0.00 0.00 72.50 70.79 1mdk s THR 74 CO -0.13 0.03 1.01 -2.16 -0.54 0.00 0.00 174.62 172.82 1mdk s PRO 75 N -2.56 4.51 -0.26 3.99 0.04 -1.26 -4.78 135.00 134.68 1mdk s PRO 75 Ca 0.26 1.51 -0.03 0.00 0.04 0.00 0.00 61.00 62.78 1mdk s PRO 75 Cb -0.11 -2.87 0.02 0.00 0.04 0.00 0.00 34.50 31.59 1mdk s PRO 75 CO 0.18 0.17 -0.02 0.99 0.04 0.00 0.00 177.00 178.36 1mdk s THR 76 N -1.47 3.13 -0.16 1.26 2.01 -1.18 -2.90 115.64 116.33 1mdk s THR 76 Ca 0.50 -0.98 -0.21 0.00 0.31 0.00 0.00 61.69 61.31 1mdk s THR 76 Cb -0.23 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 1mdk s THR 76 CO 0.30 0.15 0.62 -0.36 -0.69 0.00 0.00 174.62 174.63 1mdk s PHE 77 N 1.36 3.43 -0.07 4.92 0.08 -0.41 -2.58 117.98 124.70 1mdk s PHE 77 Ca 0.00 0.98 0.04 0.00 0.12 0.00 0.00 56.93 58.07 1mdk s PHE 77 Cb -0.17 -2.76 -0.00 0.00 -0.57 0.00 0.00 43.02 39.51 1mdk s PHE 77 CO -0.03 -0.08 -0.21 -0.65 -0.10 0.00 0.00 175.22 174.16 1mdk s GLN 78 N 1.53 2.43 -0.17 0.44 -0.21 -1.01 -0.35 119.66 122.33 1mdk s GLN 78 Ca 0.30 -0.74 -0.05 0.00 0.02 0.00 0.00 55.36 54.88 1mdk s GLN 78 Cb -0.16 -1.95 -0.03 0.00 1.00 0.00 0.00 33.01 31.87 1mdk s GLN 78 CO 0.12 0.21 -0.00 -0.06 -2.12 0.00 0.00 175.29 173.43 1mdk s PHE 79 N 0.23 3.11 0.14 0.91 0.40 -0.30 -0.72 117.98 121.75 1mdk s PHE 79 Ca -0.12 -0.17 0.06 0.00 -0.60 0.00 0.00 56.93 56.10 1mdk s PHE 79 Cb -0.15 -2.00 -0.04 0.00 0.51 0.00 0.00 43.02 41.33 1mdk s PHE 79 CO 0.05 0.03 -0.13 -0.06 0.70 0.00 0.00 175.22 175.82 1mdk s PHE 80 N 0.38 1.41 -0.22 0.36 0.08 0.17 -2.30 117.98 117.85 1mdk s PHE 80 Ca -0.01 -0.62 -0.11 0.00 0.12 0.00 0.00 56.93 56.30 1mdk s PHE 80 Cb -0.14 -0.71 0.08 0.00 -0.57 0.00 0.00 43.02 41.68 1mdk s PHE 80 CO 0.02 0.16 0.52 0.21 -0.10 0.00 0.00 175.22 176.03 1mdk s LYS 81 N -3.18 0.49 -1.60 0.44 2.20 0.10 -2.08 119.74 116.12 1mdk s LYS 81 Ca 0.14 1.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.79 1mdk s LYS 81 Cb -0.02 0.19 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 1mdk s LYS 81 CO 0.03 -0.18 0.00 1.63 -0.36 0.00 0.00 175.35 176.47 1mdk n LYS 82 N 4.62 -1.43 -0.42 4.03 5.02 -1.26 0.14 118.16 128.86 1mdk n LYS 82 Ca -0.18 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 1mdk n LYS 82 Cb 0.55 -5.22 0.00 0.00 -0.02 0.00 0.00 35.03 30.33 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 -0.20 0.73 3.62 0.72 0.00 -1.26 -4.97 105.19 103.84 1mdk n GLY 83 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.58 2.46 0.23 1.61 -0.21 0.12 -5.10 119.66 118.18 1mdk s GLN 84 Ca 0.00 -0.82 -0.20 0.00 0.02 0.00 0.00 55.36 54.36 1mdk s GLN 84 Cb 0.00 -2.47 -0.08 0.00 1.00 0.00 0.00 33.01 31.46 1mdk s GLN 84 CO 0.00 0.56 0.73 0.21 -2.12 0.00 0.00 175.29 174.68 1mdk s LYS 85 N -1.86 4.25 0.00 2.91 2.20 -1.26 0.03 119.74 126.00 1mdk s LYS 85 Ca 0.21 0.87 0.00 0.00 -0.36 0.00 0.00 55.97 56.69 1mdk s LYS 85 Cb -0.11 -2.85 0.00 0.00 -1.51 0.00 0.00 37.83 33.36 1mdk s LYS 85 CO 0.12 0.38 0.00 1.33 -0.36 0.00 0.00 175.35 176.82 1mdk n VAL 86 N 0.65 0.00 -3.81 4.02 0.24 -0.97 -4.92 118.33 113.54 1mdk n VAL 86 Ca -0.02 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.29 1mdk n VAL 86 Cb 0.51 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 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 -1.38 -0.21 -0.20 7.63 0.00 -1.25 -5.04 107.32 106.87 1mdk s GLY 87 Ca 0.00 0.25 -0.31 0.00 0.00 0.00 0.00 44.72 44.66 1mdk s GLY 87 CO 0.00 2.50 1.17 -1.83 0.00 0.00 0.00 173.10 174.94 1mdk s GLU 88 N -2.30 0.35 -0.29 2.90 -1.05 -1.26 -1.15 118.70 115.91 1mdk s GLU 88 Ca 0.21 0.00 -0.18 0.00 -0.15 0.00 0.00 54.97 54.85 1mdk s GLU 88 Cb 0.01 0.16 0.14 0.00 -0.44 0.00 0.00 34.13 34.01 1mdk s GLU 88 CO -0.01 -0.13 0.98 -0.59 0.95 0.00 0.00 175.26 176.46 1mdk s PHE 89 N -1.57 -0.57 0.00 4.83 -0.12 0.53 -4.99 117.98 116.09 1mdk s PHE 89 Ca 0.05 1.18 0.00 0.00 -0.05 0.00 0.00 56.93 58.11 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 -0.04 -0.28 0.00 -1.13 -0.05 0.00 0.00 175.22 173.72 1mdk n SER 90 N 3.39 0.34 -0.00 1.98 3.41 -1.26 -1.29 113.62 120.17 1mdk n SER 90 Ca -0.17 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 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 -0.89 3.55 5.00 0.00 -1.14 -4.77 105.19 111.94 1mdk n GLY 91 Ca 0.00 -1.17 -0.21 0.00 0.00 0.00 0.00 46.02 44.64 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 1.19 0.55 -3.26 4.61 0.00 -1.26 -4.76 120.51 117.59 1mdk n ALA 92 Ca 0.00 -1.14 -0.24 0.00 0.00 0.00 0.00 53.44 52.05 1mdk n ALA 92 Cb 0.00 -3.09 -0.08 0.00 0.00 0.00 0.00 19.45 16.29 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 15.77 -0.32 0.00 0.00 4.05 -1.26 -4.97 115.26 128.53 1mdk n ASN 93 Ca 0.49 -2.57 0.01 0.00 0.45 0.00 0.00 54.58 52.96 1mdk n ASN 93 Cb 0.39 -0.46 0.32 0.00 1.23 0.00 0.00 39.78 41.27 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 4.77 0.51 0.00 1.20 -0.00 -1.98 -1.79 116.57 119.28 1mdk h LYS 94 Ca 0.15 -0.09 -0.03 0.00 -0.00 0.00 0.00 60.65 60.68 1mdk h LYS 94 Cb 0.90 -0.08 -0.00 0.00 -0.00 0.00 0.00 32.23 33.05 1mdk h LYS 94 CO 0.40 0.51 -0.13 0.93 -0.00 0.00 0.00 179.45 181.16 1mdk h GLU 95 N 0.50 0.00 -0.28 0.07 4.39 -2.00 -2.01 114.58 115.26 1mdk h GLU 95 Ca 0.11 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.69 1mdk h GLU 95 Cb 0.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1mdk h GLU 95 CO 0.00 0.13 -0.32 -0.22 -1.16 0.00 0.00 179.01 177.44 1mdk h LYS 96 N 0.00 0.60 -0.94 2.33 3.64 -1.74 -2.70 116.57 117.75 1mdk h LYS 96 Ca -0.00 -0.27 0.20 0.00 -1.27 0.00 0.00 60.65 59.31 1mdk h LYS 96 Cb 0.33 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.05 1mdk h LYS 96 CO 0.02 0.84 0.61 -0.07 -2.27 0.00 0.00 179.45 178.58 1mdk h LEU 97 N 0.51 0.52 0.55 5.20 3.38 -1.37 0.23 115.31 124.33 1mdk h LEU 97 Ca 0.06 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1mdk h LEU 97 Cb 0.81 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.52 1mdk h LEU 97 CO 0.07 0.20 -0.26 -0.08 0.09 0.00 0.00 178.44 178.46 1mdk h GLU 98 N 0.52 -0.71 -0.92 1.13 4.81 -1.58 -1.35 114.58 116.48 1mdk h GLU 98 Ca 0.50 0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.79 1mdk h GLU 98 Cb 1.09 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.59 1mdk h GLU 98 CO -0.23 -0.41 0.61 0.00 -0.73 0.00 0.00 179.01 178.25 1mdk h ALA 99 N -0.89 1.35 -0.12 2.92 0.00 -1.37 -1.02 119.26 120.12 1mdk h ALA 99 Ca -0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1mdk h ALA 99 Cb 0.63 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1mdk h ALA 99 CO 0.12 0.60 -0.02 1.15 0.00 0.00 0.00 179.25 181.10 1mdk h THR 100 N 1.24 1.28 0.10 0.00 2.02 -0.58 -1.89 112.91 115.08 1mdk h THR 100 Ca 0.34 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 1mdk h THR 100 Cb -0.13 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1mdk h THR 100 CO -0.08 0.27 -0.05 0.40 0.37 0.00 0.00 175.52 176.43 1mdk h ILE 101 N -0.08 0.95 0.00 3.11 2.04 -1.04 -1.04 117.51 121.45 1mdk h ILE 101 Ca 0.03 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1mdk h ILE 101 Cb 0.43 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1mdk h ILE 101 CO 0.01 0.04 0.03 -1.13 0.00 0.00 0.00 178.15 177.10 1mdk h ASN 102 N -0.21 0.00 0.14 1.72 -0.73 -1.19 0.72 115.58 116.02 1mdk h ASN 102 Ca -0.01 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.15 1mdk h ASN 102 Cb 0.17 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.76 1mdk h ASN 102 CO 0.02 0.00 -0.07 -0.08 -0.37 0.00 0.00 177.43 176.94 1mdk h GLU 103 N 0.00 -0.18 -0.81 6.67 4.81 -0.34 -3.33 114.58 121.39 1mdk h GLU 103 Ca 0.00 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1mdk h GLU 103 Cb 0.06 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1mdk h GLU 103 CO 0.00 -0.12 0.10 1.28 -0.73 0.00 0.00 179.01 179.53 1mdk n LEU 104 N -4.29 4.22 0.00 1.64 4.77 -1.00 -5.11 117.00 117.23 1mdk n LEU 104 Ca -0.02 -2.17 0.03 0.00 -0.03 0.00 0.00 56.01 53.82 1mdk n LEU 104 Cb 0.07 -0.64 0.19 0.00 -2.33 0.00 0.00 43.42 40.72 1mdk n LEU 104 CO 0.06 0.56 0.43 0.55 -1.33 0.00 0.00 177.39 177.66