#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 2.56 -0.21 2.03 1.01 -1.26 -3.92 120.40 120.61 1mdk s VAL 2 Ca 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 1mdk s VAL 2 Cb 0.00 -2.84 0.09 0.00 0.00 0.00 0.00 36.38 33.63 1mdk s VAL 2 CO 0.00 0.00 0.46 -0.75 0.00 0.00 0.00 175.10 174.81 1mdk s LYS 3 N -4.77 0.38 0.00 2.72 2.20 -0.81 -4.97 119.74 114.49 1mdk s LYS 3 Ca 0.59 1.07 -0.19 0.00 -0.36 0.00 0.00 55.97 57.08 1mdk s LYS 3 Cb -0.09 0.36 -0.06 0.00 -1.51 0.00 0.00 37.83 36.54 1mdk s LYS 3 CO 0.39 -0.23 0.55 -1.14 -0.36 0.00 0.00 175.35 174.56 1mdk s GLN 4 N 2.47 4.25 -0.32 4.03 0.74 -1.26 -1.73 119.66 127.84 1mdk s GLN 4 Ca -0.04 0.67 -0.08 0.00 0.05 0.00 0.00 55.36 55.96 1mdk s GLN 4 Cb -0.11 -3.32 0.02 0.00 1.10 0.00 0.00 33.01 30.70 1mdk s GLN 4 CO -0.14 0.44 0.13 0.42 -0.55 0.00 0.00 175.29 175.59 1mdk s ILE 5 N -0.40 4.18 -0.85 -2.34 -1.09 -0.56 -4.92 121.20 115.22 1mdk s ILE 5 Ca 0.29 -0.76 0.20 0.00 -2.23 0.00 0.00 60.65 58.15 1mdk s ILE 5 Cb -0.18 -3.23 -0.23 0.00 -1.58 0.00 0.00 42.46 37.24 1mdk s ILE 5 CO 0.16 -0.04 0.81 -0.62 -1.23 0.00 0.00 174.94 174.02 1mdk n GLU 6 N 4.91 0.41 -3.66 2.79 1.02 -1.26 -4.34 120.64 120.51 1mdk n GLU 6 Ca -0.13 -0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 56.86 1mdk n GLU 6 Cb 0.47 -1.45 -0.06 0.00 -0.02 0.00 0.00 31.44 30.38 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 -3.04 -0.28 0.50 1.62 1.04 -1.26 -4.61 113.70 107.67 1mdk s SER 7 Ca 0.06 -0.05 0.26 0.00 0.48 0.00 0.00 55.95 56.70 1mdk s SER 7 Cb 0.15 0.43 1.35 0.00 0.10 0.00 0.00 66.02 68.05 1mdk s SER 7 CO 0.83 -0.69 1.91 0.50 0.98 0.00 0.00 173.24 176.76 1mdk h LYS 8 N 2.91 0.11 -0.58 4.02 3.64 -1.93 0.02 116.57 124.75 1mdk h LYS 8 Ca -0.32 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.09 1mdk h LYS 8 Cb 1.21 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 1mdk h LYS 8 CO 0.44 0.07 0.33 1.15 -2.27 0.00 0.00 179.45 179.18 1mdk h THR 9 N 0.12 1.02 0.00 1.00 2.02 -2.01 -0.83 112.91 114.22 1mdk h THR 9 Ca 0.39 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 67.30 1mdk h THR 9 Cb 1.35 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1mdk h THR 9 CO -0.05 0.12 -0.21 0.00 0.37 0.00 0.00 175.52 175.75 1mdk h ALA 10 N 1.28 1.03 0.16 6.16 0.00 -1.41 -3.02 119.26 123.46 1mdk h ALA 10 Ca 0.24 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1mdk h ALA 10 Cb 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1mdk h ALA 10 CO -0.13 0.26 -0.08 0.35 0.00 0.00 0.00 179.25 179.65 1mdk h PHE 11 N 0.00 -0.20 -0.81 0.00 3.57 -0.81 0.22 116.94 118.90 1mdk h PHE 11 Ca -0.00 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.60 1mdk h PHE 11 Cb 0.71 0.07 -0.08 0.00 2.79 0.00 0.00 35.95 39.44 1mdk h PHE 11 CO 0.00 -0.12 0.44 -0.56 -2.23 0.00 0.00 178.31 175.84 1mdk h GLN 12 N -0.22 0.69 -0.86 1.11 -0.00 -1.62 -0.06 115.11 114.14 1mdk h GLN 12 Ca -0.02 -0.04 0.03 0.00 -0.00 0.00 0.00 58.65 58.62 1mdk h GLN 12 Cb 0.17 -0.16 -0.05 0.00 -0.00 0.00 0.00 27.48 27.44 1mdk h GLN 12 CO 0.04 0.46 0.57 0.93 -0.00 0.00 0.00 178.83 180.82 1mdk h GLU 13 N 0.72 1.05 -0.23 0.06 4.39 -1.45 -0.60 114.58 118.52 1mdk h GLU 13 Ca 0.40 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1mdk h GLU 13 Cb 0.44 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1mdk h GLU 13 CO -0.28 0.69 0.15 0.00 -1.16 0.00 0.00 179.01 178.41 1mdk h ALA 14 N 1.49 0.29 -0.71 3.43 0.00 0.14 0.12 119.26 124.02 1mdk h ALA 14 Ca 0.34 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 1mdk h ALA 14 Cb 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1mdk h ALA 14 CO -0.10 -0.23 0.25 -0.07 0.00 0.00 0.00 179.25 179.10 1mdk h LEU 15 N 0.30 1.01 -0.62 0.00 3.38 -1.08 1.00 115.31 119.30 1mdk h LEU 15 Ca 0.08 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1mdk h LEU 15 Cb -0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1mdk h LEU 15 CO -0.02 0.93 0.15 -0.78 0.09 0.00 0.00 178.44 178.82 1mdk h ASP 16 N 1.04 0.94 1.43 -0.43 1.82 -0.68 -2.37 116.42 118.16 1mdk h ASP 16 Ca 0.23 -0.23 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1mdk h ASP 16 Cb 0.26 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.02 1mdk h ASP 16 CO -0.01 0.93 0.00 0.00 -1.61 0.00 0.00 179.24 178.54 1mdk h ALA 17 N 1.04 1.00 0.00 -0.78 0.00 -0.48 -3.11 119.26 116.93 1mdk h ALA 17 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1mdk h ALA 17 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 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 -1.80 1.82 -0.67 0.00 0.00 0.32 -4.90 120.51 115.27 1mdk n ALA 18 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1mdk n ALA 18 Cb 0.42 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.24 1.36 0.00 0.00 0.00 -1.18 -2.75 105.19 102.38 1mdk n GLY 19 Ca 0.07 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 10.92 0.02 -4.12 1.61 8.00 -1.26 -4.52 116.55 127.20 1mdk n ASP 20 Ca 0.00 -1.01 -0.30 0.00 0.71 0.00 0.00 54.79 54.20 1mdk n ASP 20 Cb 0.00 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.32 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 -0.01 -0.66 0.78 -1.24 1.02 -1.11 -4.75 119.74 113.77 1mdk s LYS 21 Ca 0.00 0.12 -0.11 0.00 0.02 0.00 0.00 55.97 56.00 1mdk s LYS 21 Cb 0.00 -1.65 0.06 0.00 -0.52 0.00 0.00 37.83 35.73 1mdk s LYS 21 CO 0.00 -3.38 1.10 -1.17 -0.92 0.00 0.00 175.35 170.98 1mdk s LEU 22 N -6.77 3.03 -0.23 3.17 0.20 -1.26 -4.65 118.68 112.17 1mdk s LEU 22 Ca 0.69 1.88 -0.03 0.00 0.69 0.00 0.00 54.13 57.35 1mdk s LEU 22 Cb -0.13 -4.53 0.10 0.00 -0.43 0.00 0.00 46.19 41.21 1mdk s LEU 22 CO 0.57 -2.14 0.22 -0.69 -0.29 0.00 0.00 176.35 174.01 1mdk s VAL 23 N -2.85 -0.30 -0.16 1.68 1.01 -0.95 -2.07 120.40 116.76 1mdk s VAL 23 Ca 0.62 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.29 1mdk s VAL 23 Cb -0.18 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1mdk s VAL 23 CO 0.56 -0.31 0.02 -0.69 0.00 0.00 0.00 175.10 174.68 1mdk s VAL 24 N 2.30 4.46 -0.10 2.92 1.01 -0.86 -0.47 120.40 129.66 1mdk s VAL 24 Ca 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 1mdk s VAL 24 Cb -0.15 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 1mdk s VAL 24 CO -0.18 0.50 -0.05 -0.69 0.00 0.00 0.00 175.10 174.67 1mdk s VAL 25 N 0.15 3.81 -0.39 2.92 1.01 -0.09 -1.41 120.40 126.40 1mdk s VAL 25 Ca 0.02 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 1mdk s VAL 25 Cb -0.13 -2.59 0.07 0.00 0.00 0.00 0.00 36.38 33.73 1mdk s VAL 25 CO 0.01 0.57 0.19 -0.62 0.00 0.00 0.00 175.10 175.25 1mdk s ASP 26 N -0.45 5.45 -1.24 3.32 2.15 -1.16 -2.55 116.67 122.18 1mdk s ASP 26 Ca 0.07 -1.47 -0.15 0.00 0.43 0.00 0.00 52.55 51.43 1mdk s ASP 26 Cb -0.12 -1.91 0.14 0.00 -0.30 0.00 0.00 42.92 40.72 1mdk s ASP 26 CO 0.02 -0.46 1.55 0.49 -0.17 0.00 0.00 175.17 176.60 1mdk n PHE 27 N 4.82 4.81 -4.24 -5.34 3.01 -1.04 -2.44 117.46 117.03 1mdk n PHE 27 Ca -0.10 -3.18 -0.30 0.00 1.01 0.00 0.00 57.45 54.88 1mdk n PHE 27 Cb 0.43 -2.32 -0.10 0.00 -0.01 0.00 0.00 39.48 37.48 1mdk n PHE 27 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1mdk s SER 28 N 3.19 4.27 -0.19 4.37 0.01 -1.17 -3.14 113.70 121.04 1mdk s SER 28 Ca 0.46 -0.44 -0.18 0.00 1.31 0.00 0.00 55.95 57.10 1mdk s SER 28 Cb -0.00 -0.76 -0.03 0.00 0.21 0.00 0.00 66.02 65.43 1mdk s SER 28 CO 0.03 0.17 0.51 0.00 0.41 0.00 0.00 173.24 174.36 1mdk s ALA 29 N -1.22 3.54 0.36 1.44 0.00 -1.26 -4.25 121.76 120.37 1mdk s ALA 29 Ca 0.21 -0.39 0.29 0.00 0.00 0.00 0.00 51.96 52.07 1mdk s ALA 29 Cb -0.11 -2.79 1.43 0.00 0.00 0.00 0.00 23.12 21.65 1mdk s ALA 29 CO 0.13 -0.39 2.05 0.00 0.00 0.00 0.00 175.76 177.54 1mdk h THR 30 N 5.08 0.47 0.00 0.00 1.03 -1.98 -2.11 112.91 115.40 1mdk h THR 30 Ca -0.34 -0.58 0.00 0.00 -0.01 0.00 0.00 66.41 65.47 1mdk h THR 30 Cb 1.16 1.40 0.00 0.00 -1.07 0.00 0.00 68.15 69.64 1mdk h THR 30 CO 0.74 0.11 -0.60 -2.67 -0.01 0.00 0.00 175.52 173.09 1mdk n TRP 31 N -3.51 0.44 -3.39 0.00 4.27 -1.26 -4.79 117.44 109.20 1mdk n TRP 31 Ca -0.01 0.13 -0.39 0.00 -3.89 0.00 0.00 57.50 53.34 1mdk n TRP 31 Cb 0.26 -0.58 -0.09 0.00 -1.36 0.00 0.00 31.31 29.55 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 8.32 -0.97 -0.48 0.00 0.00 -1.87 -2.42 103.07 105.65 1mdk h GLY 33 Ca -0.33 0.36 0.33 0.00 0.00 0.00 0.00 47.33 47.70 1mdk h GLY 33 CO 0.67 -0.35 0.79 -2.55 0.00 0.00 0.00 176.54 175.09 1mdk h PRO 34 N -0.98 0.20 0.14 4.80 0.11 -1.94 0.90 132.00 135.24 1mdk h PRO 34 Ca -0.10 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 1mdk h PRO 34 Cb 0.73 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1mdk h PRO 34 CO 0.16 0.13 -0.07 0.00 -0.21 0.00 0.00 178.00 178.01 1mdk h ALA 35 N 1.53 -0.19 0.00 -0.75 0.00 -1.81 -3.24 119.26 114.80 1mdk h ALA 35 Ca 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1mdk h ALA 35 Cb 2.03 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.89 1mdk h ALA 35 CO -0.23 -0.19 0.00 -0.22 0.00 0.00 0.00 179.25 178.61 1mdk h LYS 36 N -1.04 0.00 -0.04 0.00 3.64 -0.82 -2.00 116.57 116.31 1mdk h LYS 36 Ca -0.02 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1mdk h LYS 36 Cb 0.23 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1mdk h LYS 36 CO 0.03 0.00 0.05 1.98 -2.27 0.00 0.00 179.45 179.24 1mdk h MET 37 N 0.00 0.00 -0.62 1.90 4.05 0.78 -0.26 114.93 120.77 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 -3.83 1.10 0.10 1.77 5.41 -0.75 -4.39 119.36 118.77 1mdk n ILE 38 Ca -0.02 -0.88 -0.01 0.00 1.00 0.00 0.00 62.75 62.83 1mdk n ILE 38 Cb 0.14 0.27 0.24 0.00 -0.71 0.00 0.00 39.64 39.58 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 3.52 0.22 0.00 0.38 2.10 -1.20 -2.80 116.57 118.79 1mdk h LYS 39 Ca 0.00 -0.10 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 1mdk h LYS 39 Cb 0.99 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1mdk h LYS 39 CO 0.08 0.59 0.00 -2.30 -2.00 0.00 0.00 179.45 175.82 1mdk n PRO 40 N -4.04 0.10 0.00 0.07 -0.02 -1.26 -2.38 135.00 127.47 1mdk n PRO 40 Ca -0.01 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1mdk n PRO 40 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 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 -1.20 0.00 -0.26 6.00 3.01 -1.07 -4.08 117.46 119.87 1mdk n PHE 41 Ca 0.03 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.41 1mdk n PHE 41 Cb 0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.46 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 -1.39 -0.11 1.38 3.57 -1.62 0.31 116.94 119.09 1mdk h PHE 42 Ca 0.00 0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 1mdk h PHE 42 Cb 0.00 0.70 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1mdk h PHE 42 CO 0.00 -0.42 -0.31 1.25 -2.23 0.00 0.00 178.31 176.61 1mdk h HIS 43 N -0.17 0.22 -0.71 0.41 2.76 -1.72 -2.91 115.15 113.03 1mdk h HIS 43 Ca 0.19 -0.05 -0.05 0.00 -2.20 0.00 0.00 60.37 58.27 1mdk h HIS 43 Cb 0.55 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.42 1mdk h HIS 43 CO -0.79 0.49 0.25 1.03 -1.30 0.00 0.00 177.93 177.61 1mdk h SER 44 N 0.18 1.00 0.00 3.26 0.87 -0.48 -1.84 113.55 116.53 1mdk h SER 44 Ca 0.02 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1mdk h SER 44 Cb 0.64 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1mdk h SER 44 CO 0.05 0.91 0.28 0.18 -0.53 0.00 0.00 176.83 177.72 1mdk n LEU 45 N -4.27 0.18 -0.22 2.23 4.77 -0.14 -0.99 117.00 118.56 1mdk n LEU 45 Ca 0.06 0.42 0.06 0.00 -0.03 0.00 0.00 56.01 56.53 1mdk n LEU 45 Cb 0.20 -0.39 0.32 0.00 -2.33 0.00 0.00 43.42 41.23 1mdk n LEU 45 CO 0.41 -0.49 1.23 0.28 -1.33 0.00 0.00 177.39 177.49 1mdk h SER 46 N 0.00 0.73 0.43 -1.43 0.02 -1.49 0.37 113.55 112.17 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 0.57 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1mdk h SER 46 CO 0.00 0.46 -1.25 -0.62 -1.14 0.00 0.00 176.83 174.29 1mdk n GLU 47 N -4.49 0.43 0.06 3.45 -0.58 -0.16 -3.76 120.64 115.59 1mdk n GLU 47 Ca 0.12 -0.02 0.05 0.00 -0.42 0.00 0.00 57.16 56.88 1mdk n GLU 47 Cb 0.23 -1.62 -0.05 0.00 -0.57 0.00 0.00 31.44 29.43 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 -2.16 0.62 -3.25 3.49 4.81 -0.77 -4.49 118.16 116.41 1mdk n LYS 48 Ca 0.00 0.18 -0.25 0.00 -0.87 0.00 0.00 58.31 57.37 1mdk n LYS 48 Cb 0.49 -1.81 -0.07 0.00 0.02 0.00 0.00 35.03 33.65 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 -2.80 0.80 0.55 5.64 4.01 0.12 -4.90 117.16 120.58 1mdk n TYR 49 Ca -0.06 -3.74 0.05 0.00 -0.16 0.00 0.00 57.90 53.99 1mdk n TYR 49 Cb 0.72 -0.41 0.28 0.00 -0.31 0.00 0.00 39.34 39.62 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 1.20 0.00 -0.79 7.72 3.41 -1.25 -1.15 113.62 122.77 1mdk n SER 50 Ca 0.24 -0.07 0.13 0.00 -0.26 0.00 0.00 58.87 58.91 1mdk n SER 50 Cb 0.50 -0.16 0.27 0.00 -0.26 0.00 0.00 64.21 64.56 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 -1.16 2.45 -4.42 4.04 5.15 -1.26 -4.68 115.26 115.39 1mdk n ASN 51 Ca 0.06 -1.81 -0.28 0.00 -0.60 0.00 0.00 54.58 51.95 1mdk n ASN 51 Cb 0.06 -0.03 -0.12 0.00 -0.53 0.00 0.00 39.78 39.16 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 -1.94 2.39 -0.20 3.44 1.01 -0.30 -4.59 120.40 120.21 1mdk s VAL 52 Ca 0.33 -1.84 -0.09 0.00 0.00 0.00 0.00 61.98 60.37 1mdk s VAL 52 Cb 0.20 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 1mdk s VAL 52 CO 0.31 -0.00 0.10 -0.63 0.00 0.00 0.00 175.10 174.88 1mdk s ILE 53 N -1.34 5.13 -0.11 2.22 -1.09 -0.88 -4.52 121.20 120.62 1mdk s ILE 53 Ca 0.18 0.09 0.02 0.00 -2.23 0.00 0.00 60.65 58.71 1mdk s ILE 53 Cb -0.09 -3.34 -0.01 0.00 -1.58 0.00 0.00 42.46 37.44 1mdk s ILE 53 CO 0.08 0.44 -0.19 -0.36 -1.23 0.00 0.00 174.94 173.68 1mdk s PHE 54 N 0.46 2.67 0.46 3.97 0.08 -1.25 -2.04 117.98 122.33 1mdk s PHE 54 Ca 0.06 -0.78 0.06 0.00 0.12 0.00 0.00 56.93 56.39 1mdk s PHE 54 Cb -0.12 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 1mdk s PHE 54 CO -0.00 -0.27 0.23 -0.51 -0.10 0.00 0.00 175.22 174.56 1mdk s LEU 55 N 0.24 2.94 -0.03 -0.37 1.02 -0.50 -1.93 118.68 120.06 1mdk s LEU 55 Ca -0.12 -1.16 -0.05 0.00 0.02 0.00 0.00 54.13 52.82 1mdk s LEU 55 Cb -0.16 -1.34 0.01 0.00 0.02 0.00 0.00 46.19 44.71 1mdk s LEU 55 CO 0.07 -0.73 0.11 -0.70 0.02 0.00 0.00 176.35 175.12 1mdk s GLU 56 N -4.01 0.25 -0.01 1.70 2.12 -0.70 -2.99 118.70 115.05 1mdk s GLU 56 Ca 0.36 -0.06 -0.01 0.00 0.36 0.00 0.00 54.97 55.62 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 0.20 -0.05 0.03 0.08 -0.54 0.00 0.00 175.26 174.98 1mdk s VAL 57 N -0.47 -0.01 -0.48 3.70 1.01 -1.02 -1.50 120.40 121.63 1mdk s VAL 57 Ca -0.06 0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.81 1mdk s VAL 57 Cb -0.04 -0.05 0.07 0.00 0.00 0.00 0.00 36.38 36.37 1mdk s VAL 57 CO 0.00 0.02 0.41 -0.62 0.00 0.00 0.00 175.10 174.91 1mdk s ASP 58 N 0.21 6.15 0.17 3.32 2.15 -1.26 -3.06 116.67 124.35 1mdk s ASP 58 Ca -0.02 -1.32 0.12 0.00 0.43 0.00 0.00 52.55 51.76 1mdk s ASP 58 Cb -0.02 -2.19 0.62 0.00 -0.30 0.00 0.00 42.92 41.03 1mdk s ASP 58 CO -0.01 -0.67 1.35 1.33 -0.17 0.00 0.00 175.17 177.01 1mdk n VAL 59 N 5.23 1.48 -0.13 1.11 0.24 -1.26 0.44 118.33 125.44 1mdk n VAL 59 Ca -0.12 0.62 -0.21 0.00 -2.04 0.00 0.00 64.34 62.58 1mdk n VAL 59 Cb 0.44 -1.62 -0.11 0.00 -1.47 0.00 0.00 33.84 31.08 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 -1.90 1.99 0.00 -1.34 8.00 -1.26 -4.01 116.55 118.03 1mdk n ASP 60 Ca -0.01 0.01 0.12 0.00 0.71 0.00 0.00 54.79 55.61 1mdk n ASP 60 Cb 0.02 -0.53 0.15 0.00 -0.02 0.00 0.00 41.12 40.75 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 -3.55 0.62 -2.46 -2.24 -0.08 -1.09 -4.16 116.55 103.60 1mdk n ASP 61 Ca -0.48 -0.39 -0.21 0.00 -1.51 0.00 0.00 54.79 52.20 1mdk n ASP 61 Cb 0.95 0.44 0.01 0.00 2.34 0.00 0.00 41.12 44.87 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 -1.53 4.56 0.20 -1.67 0.00 0.17 -4.84 120.51 117.39 1mdk n ALA 62 Ca 0.05 -3.88 0.11 0.00 0.00 0.00 0.00 53.44 49.71 1mdk n ALA 62 Cb 0.34 -0.60 0.58 0.00 0.00 0.00 0.00 19.45 19.77 1mdk n ALA 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1mdk h GLN 63 N 2.60 0.00 -0.36 0.00 3.07 -1.71 -0.47 115.11 118.24 1mdk h GLN 63 Ca 0.20 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.78 1mdk h GLN 63 Cb 1.11 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.66 1mdk h GLN 63 CO 0.72 0.00 -0.42 0.38 0.09 0.00 0.00 178.83 179.60 1mdk h ASP 64 N 0.00 0.99 -0.04 0.06 2.03 -1.92 0.41 116.42 117.94 1mdk h ASP 64 Ca 0.00 -0.48 -0.07 0.00 -0.73 0.00 0.00 57.03 55.75 1mdk h ASP 64 Cb 0.30 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 1mdk h ASP 64 CO 0.00 1.27 -0.23 0.58 -1.03 0.00 0.00 179.24 179.83 1mdk h VAL 65 N 0.72 1.46 -0.43 4.15 2.07 -1.47 -2.15 116.25 120.61 1mdk h VAL 65 Ca 0.05 -1.71 -0.04 0.00 0.82 0.00 0.00 66.70 65.82 1mdk h VAL 65 Cb 1.02 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 1mdk h VAL 65 CO 0.10 0.48 0.08 0.00 0.02 0.00 0.00 177.57 178.25 1mdk h ALA 66 N 0.39 1.34 -0.34 1.67 0.00 -1.52 -1.26 119.26 119.55 1mdk h ALA 66 Ca -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1mdk h ALA 66 Cb 0.90 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1mdk h ALA 66 CO 0.05 0.46 0.10 0.77 0.00 0.00 0.00 179.25 180.63 1mdk h SER 67 N 0.63 0.49 -0.72 0.00 0.02 -0.14 1.60 113.55 115.44 1mdk h SER 67 Ca 0.14 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.84 1mdk h SER 67 Cb 0.27 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1mdk h SER 67 CO 0.00 0.57 0.25 -0.08 -1.14 0.00 0.00 176.83 176.43 1mdk h GLU 68 N 0.39 1.09 -0.01 3.45 4.57 -0.96 -2.13 114.58 120.98 1mdk h GLU 68 Ca 0.11 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1mdk h GLU 68 Cb 0.25 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1mdk h GLU 68 CO -0.00 0.92 -0.20 0.00 -1.18 0.00 0.00 179.01 178.55 1mdk n ALA 69 N -2.42 2.95 -3.81 2.92 0.00 -0.51 -4.95 120.51 114.69 1mdk n ALA 69 Ca 0.06 -0.36 -0.29 0.00 0.00 0.00 0.00 53.44 52.85 1mdk n ALA 69 Cb 0.20 -1.21 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 -0.74 -2.28 -2.62 0.00 -0.58 0.54 -4.89 120.64 110.07 1mdk n GLU 70 Ca 0.13 0.43 -0.41 0.00 -0.42 0.00 0.00 57.16 56.89 1mdk n GLU 70 Cb 0.32 -4.29 -0.04 0.00 -0.57 0.00 0.00 31.44 26.87 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 -3.69 4.32 0.00 2.62 1.01 -0.78 -4.91 120.40 118.96 1mdk s VAL 71 Ca 0.25 1.85 0.00 0.00 0.00 0.00 0.00 61.98 64.08 1mdk s VAL 71 Cb -0.09 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1mdk s VAL 71 CO 0.87 0.25 0.49 0.29 0.00 0.00 0.00 175.10 177.01 1mdk n LYS 72 N 3.01 0.05 -3.69 2.72 5.02 -1.26 -4.97 118.16 119.05 1mdk n LYS 72 Ca 0.04 -0.59 -0.10 0.00 -2.02 0.00 0.00 58.31 55.64 1mdk n LYS 72 Cb 0.48 -0.86 -0.11 0.00 -0.02 0.00 0.00 35.03 34.53 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 -0.19 -1.04 0.12 7.82 0.00 -1.26 -5.16 121.76 122.05 1mdk s ALA 73 Ca 0.00 1.49 0.08 0.00 0.00 0.00 0.00 51.96 53.53 1mdk s ALA 73 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 1mdk s ALA 73 CO 0.00 -0.37 -0.13 0.95 0.00 0.00 0.00 175.76 176.21 1mdk s THR 74 N 1.67 3.14 0.31 0.00 -4.23 -1.26 -3.67 115.64 111.60 1mdk s THR 74 Ca -0.08 -1.42 -0.28 0.00 -1.18 0.00 0.00 61.69 58.74 1mdk s THR 74 Cb -0.09 -2.47 -0.09 0.00 1.34 0.00 0.00 72.50 71.18 1mdk s THR 74 CO -0.13 0.07 1.04 -2.16 -0.54 0.00 0.00 174.62 172.91 1mdk s PRO 75 N -2.28 4.55 -0.26 3.99 0.04 -1.26 -4.85 135.00 134.94 1mdk s PRO 75 Ca 0.21 1.62 -0.02 0.00 0.04 0.00 0.00 61.00 62.85 1mdk s PRO 75 Cb -0.11 -3.00 0.03 0.00 0.04 0.00 0.00 34.50 31.47 1mdk s PRO 75 CO 0.13 0.18 -0.05 0.99 0.04 0.00 0.00 177.00 178.30 1mdk s THR 76 N -1.34 2.96 -0.23 1.26 2.01 -1.19 -3.07 115.64 116.04 1mdk s THR 76 Ca 0.48 -1.03 -0.19 0.00 0.31 0.00 0.00 61.69 61.26 1mdk s THR 76 Cb -0.27 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.69 1mdk s THR 76 CO 0.34 0.16 0.54 -0.36 -0.69 0.00 0.00 174.62 174.61 1mdk s PHE 77 N 1.33 3.32 -0.05 4.92 0.08 -0.47 -2.50 117.98 124.60 1mdk s PHE 77 Ca -0.00 0.74 0.06 0.00 0.12 0.00 0.00 56.93 57.85 1mdk s PHE 77 Cb -0.17 -2.72 -0.01 0.00 -0.57 0.00 0.00 43.02 39.55 1mdk s PHE 77 CO -0.04 -0.20 -0.24 -0.65 -0.10 0.00 0.00 175.22 173.99 1mdk s GLN 78 N 2.01 2.36 -0.14 0.44 -0.21 -1.06 -0.12 119.66 122.95 1mdk s GLN 78 Ca 0.23 -0.87 -0.03 0.00 0.02 0.00 0.00 55.36 54.72 1mdk s GLN 78 Cb -0.16 -2.05 -0.03 0.00 1.00 0.00 0.00 33.01 31.78 1mdk s GLN 78 CO 0.09 0.39 -0.02 -0.06 -2.12 0.00 0.00 175.29 173.57 1mdk s PHE 79 N -0.22 3.07 0.16 0.91 0.40 -0.44 -0.92 117.98 120.95 1mdk s PHE 79 Ca -0.01 -0.13 0.07 0.00 -0.60 0.00 0.00 56.93 56.26 1mdk s PHE 79 Cb -0.13 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.45 1mdk s PHE 79 CO 0.03 0.12 -0.15 -0.06 0.70 0.00 0.00 175.22 175.86 1mdk s PHE 80 N 0.00 1.57 -0.24 0.36 0.40 0.38 -2.32 117.98 118.14 1mdk s PHE 80 Ca 0.02 -0.57 -0.11 0.00 -0.60 0.00 0.00 56.93 55.67 1mdk s PHE 80 Cb -0.13 -0.78 0.09 0.00 0.51 0.00 0.00 43.02 42.71 1mdk s PHE 80 CO 0.02 0.25 0.55 0.21 0.70 0.00 0.00 175.22 176.95 1mdk s LYS 81 N -3.14 0.51 -1.57 0.44 2.20 0.15 -2.25 119.74 116.06 1mdk s LYS 81 Ca 0.16 1.14 0.00 0.00 -0.36 0.00 0.00 55.97 56.91 1mdk s LYS 81 Cb -0.03 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 1mdk s LYS 81 CO 0.05 -0.19 0.00 1.63 -0.36 0.00 0.00 175.35 176.48 1mdk n LYS 82 N 4.87 -1.45 -0.22 4.03 5.02 -1.26 -0.02 118.16 129.12 1mdk n LYS 82 Ca -0.16 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 1mdk n LYS 82 Cb 0.53 -5.22 0.00 0.00 -0.02 0.00 0.00 35.03 30.32 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 -0.17 0.63 3.65 0.72 0.00 -1.26 -4.97 105.19 103.79 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 -0.76 2.52 0.13 1.61 -1.52 0.96 -5.09 119.66 117.52 1mdk s GLN 84 Ca 0.00 -0.81 -0.23 0.00 -1.95 0.00 0.00 55.36 52.37 1mdk s GLN 84 Cb 0.00 -2.52 -0.07 0.00 -0.22 0.00 0.00 33.01 30.20 1mdk s GLN 84 CO 0.00 0.56 0.71 0.21 -0.25 0.00 0.00 175.29 176.52 1mdk s LYS 85 N -2.00 4.45 0.00 2.91 2.20 -1.26 0.29 119.74 126.33 1mdk s LYS 85 Ca 0.22 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.85 1mdk s LYS 85 Cb -0.11 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 1mdk s LYS 85 CO 0.14 0.58 0.15 1.33 -0.36 0.00 0.00 175.35 177.19 1mdk n VAL 86 N 1.69 0.00 0.00 4.02 0.24 -0.98 -4.93 118.33 118.37 1mdk n VAL 86 Ca -0.07 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1mdk n VAL 86 Cb 0.49 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.97 1mdk n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mdk n GLY 87 N 0.44 0.36 3.59 7.63 0.00 -1.26 -5.03 105.19 110.93 1mdk n GLY 87 Ca 0.00 -1.04 -0.06 0.00 0.00 0.00 0.00 46.02 44.92 1mdk n GLY 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mdk s GLU 88 N -2.00 0.40 -0.29 1.61 -1.05 -1.26 -1.32 118.70 114.79 1mdk s GLU 88 Ca 0.00 -0.07 -0.18 0.00 -0.15 0.00 0.00 54.97 54.57 1mdk s GLU 88 Cb 0.00 0.18 0.14 0.00 -0.44 0.00 0.00 34.13 34.01 1mdk s GLU 88 CO 0.00 -0.16 0.97 -0.59 0.95 0.00 0.00 175.26 176.44 1mdk s PHE 89 N -2.02 -0.58 0.00 4.83 -0.12 0.83 -4.99 117.98 115.94 1mdk s PHE 89 Ca 0.06 1.19 0.00 0.00 -0.05 0.00 0.00 56.93 58.14 1mdk s PHE 89 Cb -0.01 0.37 0.00 0.00 -0.63 0.00 0.00 43.02 42.75 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 3.41 0.22 -0.11 1.98 3.41 -1.26 -1.37 113.62 119.89 1mdk n SER 90 Ca -0.17 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 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 -3.02 3.53 5.00 0.00 -1.17 -4.68 105.19 109.84 1mdk n GLY 91 Ca 0.00 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.12 0.63 -3.34 4.61 0.00 -1.26 -4.76 120.51 116.26 1mdk n ALA 92 Ca 0.00 -0.94 -0.26 0.00 0.00 0.00 0.00 53.44 52.25 1mdk n ALA 92 Cb 0.00 -2.87 -0.09 0.00 0.00 0.00 0.00 19.45 16.50 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 13.33 0.33 -0.17 0.00 2.85 -1.26 -4.97 115.26 125.37 1mdk n ASN 93 Ca 0.53 -2.64 -0.10 0.00 -0.11 0.00 0.00 54.58 52.27 1mdk n ASN 93 Cb 0.31 -0.61 0.00 0.00 1.24 0.00 0.00 39.78 40.73 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 4.83 0.85 0.00 1.20 2.10 -1.97 -2.80 116.57 120.78 1mdk h LYS 94 Ca 0.17 -0.26 -0.04 0.00 -2.00 0.00 0.00 60.65 58.53 1mdk h LYS 94 Cb 0.87 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 32.11 1mdk h LYS 94 CO 0.47 0.87 -0.18 0.93 -2.00 0.00 0.00 179.45 179.54 1mdk h GLU 95 N 0.72 0.00 -0.11 0.07 5.08 -2.00 -2.23 114.58 116.11 1mdk h GLU 95 Ca 0.14 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 1mdk h GLU 95 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1mdk h GLU 95 CO 0.02 0.18 -0.40 -0.22 -1.00 0.00 0.00 179.01 177.58 1mdk h LYS 96 N 0.00 0.24 -0.86 2.33 3.64 -1.91 -2.61 116.57 117.40 1mdk h LYS 96 Ca -0.00 -0.11 0.16 0.00 -1.27 0.00 0.00 60.65 59.43 1mdk h LYS 96 Cb 0.39 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.14 1mdk h LYS 96 CO 0.02 0.61 0.56 -0.07 -2.27 0.00 0.00 179.45 178.30 1mdk h LEU 97 N 0.20 0.52 0.31 5.20 3.38 -1.37 0.31 115.31 123.86 1mdk h LEU 97 Ca 0.02 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1mdk h LEU 97 Cb 0.80 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1mdk h LEU 97 CO 0.06 0.25 -0.15 -0.08 0.09 0.00 0.00 178.44 178.61 1mdk h GLU 98 N 0.54 -0.40 -0.85 1.13 4.81 -1.58 -0.38 114.58 117.85 1mdk h GLU 98 Ca 0.43 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.71 1mdk h GLU 98 Cb 0.87 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.30 1mdk h GLU 98 CO -0.18 -0.08 0.56 0.00 -0.73 0.00 0.00 179.01 178.58 1mdk h ALA 99 N -0.28 1.10 -0.29 2.92 0.00 -1.30 -0.27 119.26 121.14 1mdk h ALA 99 Ca -0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1mdk h ALA 99 Cb 0.51 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1mdk h ALA 99 CO 0.07 0.44 -0.02 1.15 0.00 0.00 0.00 179.25 180.90 1mdk h THR 100 N 1.12 1.26 0.28 0.00 2.02 -0.43 -1.77 112.91 115.39 1mdk h THR 100 Ca 0.33 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1mdk h THR 100 Cb -0.07 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1mdk h THR 100 CO -0.09 0.31 -0.13 0.40 0.37 0.00 0.00 175.52 176.38 1mdk h ILE 101 N 0.31 0.75 0.00 3.11 2.04 -0.72 -1.39 117.51 121.62 1mdk h ILE 101 Ca 0.08 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1mdk h ILE 101 Cb 0.46 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1mdk h ILE 101 CO 0.02 0.04 0.00 -1.13 0.00 0.00 0.00 178.15 177.08 1mdk h ASN 102 N -0.47 0.00 0.09 1.72 -1.24 -1.04 0.88 115.58 115.52 1mdk h ASN 102 Ca -0.04 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.97 1mdk h ASN 102 Cb 0.35 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.40 1mdk h ASN 102 CO 0.06 0.00 -0.04 -0.08 -1.29 0.00 0.00 177.43 176.08 1mdk h GLU 103 N 0.00 -0.12 -0.67 6.67 4.81 -0.34 -3.32 114.58 121.61 1mdk h GLU 103 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1mdk h GLU 103 Cb 0.01 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1mdk h GLU 103 CO 0.00 0.16 0.00 1.28 -0.73 0.00 0.00 179.01 179.72 1mdk n LEU 104 N -4.83 3.63 0.00 1.64 4.77 -0.89 -5.11 117.00 116.21 1mdk n LEU 104 Ca -0.04 -1.83 0.03 0.00 -0.03 0.00 0.00 56.01 54.14 1mdk n LEU 104 Cb 0.16 -0.54 0.20 0.00 -2.33 0.00 0.00 43.42 40.92 1mdk n LEU 104 CO 0.13 0.53 0.43 0.55 -1.33 0.00 0.00 177.39 177.70