#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 4.13 -0.22 2.03 1.01 -1.26 -1.89 120.40 124.20 1mdk s VAL 2 Ca 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 1mdk s VAL 2 Cb 0.00 -3.51 0.08 0.00 0.00 0.00 0.00 36.38 32.96 1mdk s VAL 2 CO 0.00 -0.32 0.50 -0.75 0.00 0.00 0.00 175.10 174.53 1mdk s LYS 3 N -4.45 0.45 -0.08 2.72 2.47 -0.50 -4.92 119.74 115.43 1mdk s LYS 3 Ca 0.47 1.05 -0.19 0.00 -1.56 0.00 0.00 55.97 55.73 1mdk s LYS 3 Cb -0.10 0.26 -0.04 0.00 -1.46 0.00 0.00 37.83 36.48 1mdk s LYS 3 CO 0.36 -0.19 0.54 -1.14 0.16 0.00 0.00 175.35 175.08 1mdk s GLN 4 N 2.07 4.33 -0.52 4.03 0.74 -1.26 -1.06 119.66 127.99 1mdk s GLN 4 Ca -0.06 0.59 -0.01 0.00 0.05 0.00 0.00 55.36 55.92 1mdk s GLN 4 Cb -0.09 -3.41 0.14 0.00 1.10 0.00 0.00 33.01 30.75 1mdk s GLN 4 CO -0.15 0.22 0.31 0.42 -0.55 0.00 0.00 175.29 175.54 1mdk s ILE 5 N 0.38 3.32 -2.59 -2.34 -1.09 -0.71 -4.90 121.20 113.27 1mdk s ILE 5 Ca 0.29 -2.70 0.25 0.00 -2.23 0.00 0.00 60.65 56.26 1mdk s ILE 5 Cb -0.16 -3.23 0.25 0.00 -1.58 0.00 0.00 42.46 37.74 1mdk s ILE 5 CO 0.13 -0.79 1.38 -0.62 -1.23 0.00 0.00 174.94 173.81 1mdk n GLU 6 N 3.82 1.83 -3.73 2.79 1.02 -1.26 -4.43 120.64 120.67 1mdk n GLU 6 Ca 0.04 -1.39 -0.14 0.00 -0.02 0.00 0.00 57.16 55.65 1mdk n GLU 6 Cb 0.38 -1.47 -0.09 0.00 -0.02 0.00 0.00 31.44 30.24 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 -2.13 -0.30 0.54 1.62 1.04 -1.26 -4.62 113.70 108.59 1mdk s SER 7 Ca 0.28 0.36 0.30 0.00 0.48 0.00 0.00 55.95 57.38 1mdk s SER 7 Cb 0.20 0.48 1.47 0.00 0.10 0.00 0.00 66.02 68.27 1mdk s SER 7 CO 0.38 -0.37 1.91 0.50 0.98 0.00 0.00 173.24 176.64 1mdk h LYS 8 N 4.29 0.00 -0.47 4.02 3.64 -1.91 0.02 116.57 126.16 1mdk h LYS 8 Ca -0.28 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.11 1mdk h LYS 8 Cb 1.17 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 1mdk h LYS 8 CO 0.36 0.00 0.28 1.15 -2.27 0.00 0.00 179.45 178.97 1mdk h THR 9 N 0.00 1.06 0.00 1.00 2.02 -2.00 -1.57 112.91 113.42 1mdk h THR 9 Ca 0.37 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 67.29 1mdk h THR 9 Cb 1.52 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1mdk h THR 9 CO -0.00 0.10 -0.33 0.00 0.37 0.00 0.00 175.52 175.66 1mdk h ALA 10 N 1.20 1.11 0.29 6.16 0.00 -1.39 -2.93 119.26 123.70 1mdk h ALA 10 Ca 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1mdk h ALA 10 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1mdk h ALA 10 CO -0.08 0.41 -0.16 0.35 0.00 0.00 0.00 179.25 179.77 1mdk h PHE 11 N 0.00 -0.42 -0.59 0.00 3.57 -1.00 0.36 116.94 118.87 1mdk h PHE 11 Ca -0.00 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.58 1mdk h PHE 11 Cb 0.76 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.57 1mdk h PHE 11 CO 0.00 -0.25 0.20 1.96 -2.23 0.00 0.00 178.31 177.99 1mdk h GLN 12 N -0.42 0.36 -0.57 1.11 4.20 -1.59 0.18 115.11 118.38 1mdk h GLN 12 Ca -0.04 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.68 1mdk h GLN 12 Cb 0.33 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 1mdk h GLN 12 CO 0.05 0.24 0.38 0.93 -0.67 0.00 0.00 178.83 179.76 1mdk h GLU 13 N 0.37 0.65 -0.34 1.46 5.08 -1.40 -1.33 114.58 119.06 1mdk h GLU 13 Ca 0.30 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1mdk h GLU 13 Cb 0.38 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1mdk h GLU 13 CO -0.32 0.43 0.19 0.00 -1.00 0.00 0.00 179.01 178.31 1mdk h ALA 14 N 1.67 0.44 0.02 3.43 0.00 0.18 0.43 119.26 125.43 1mdk h ALA 14 Ca 0.23 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1mdk h ALA 14 Cb 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1mdk h ALA 14 CO -0.06 -0.04 -0.01 -0.07 0.00 0.00 0.00 179.25 179.08 1mdk h LEU 15 N 0.43 -0.02 -1.10 0.00 3.38 -1.01 0.71 115.31 117.71 1mdk h LEU 15 Ca 0.12 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1mdk h LEU 15 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1mdk h LEU 15 CO -0.02 0.21 0.15 -0.78 0.09 0.00 0.00 178.44 178.09 1mdk h ASP 16 N -0.24 0.73 1.81 -0.43 1.82 -1.14 -1.78 116.42 117.19 1mdk h ASP 16 Ca -0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 1mdk h ASP 16 Cb 0.23 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.05 1mdk h ASP 16 CO 0.00 0.71 -0.05 0.00 -1.61 0.00 0.00 179.24 178.28 1mdk h ALA 17 N 1.40 0.97 0.00 -0.78 0.00 0.09 -3.13 119.26 117.81 1mdk h ALA 17 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1mdk h ALA 17 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1mdk h ALA 17 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.24 1mdk n ALA 18 N -2.02 1.77 -0.45 0.00 0.00 0.25 -4.93 120.51 115.13 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 0.51 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.15 2.55 0.00 0.00 0.00 -1.19 -3.22 105.19 103.19 1mdk n GLY 19 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 9.74 0.34 -4.66 1.61 8.00 -1.26 -4.46 116.55 125.85 1mdk n ASP 20 Ca 0.00 -1.10 -0.29 0.00 0.71 0.00 0.00 54.79 54.12 1mdk n ASP 20 Cb 0.00 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.28 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 -0.10 0.29 0.84 -1.24 1.02 -1.20 -4.76 119.74 114.59 1mdk s LYS 21 Ca 0.00 0.47 -0.10 0.00 0.02 0.00 0.00 55.97 56.36 1mdk s LYS 21 Cb 0.00 -1.72 0.10 0.00 -0.52 0.00 0.00 37.83 35.69 1mdk s LYS 21 CO 0.00 -2.82 1.12 -1.17 -0.92 0.00 0.00 175.35 171.56 1mdk s LEU 22 N -6.50 2.95 -0.21 3.17 0.20 -1.26 -4.70 118.68 112.33 1mdk s LEU 22 Ca 0.66 2.01 -0.04 0.00 0.69 0.00 0.00 54.13 57.45 1mdk s LEU 22 Cb -0.19 -4.54 0.09 0.00 -0.43 0.00 0.00 46.19 41.12 1mdk s LEU 22 CO 0.58 -2.56 0.19 -0.69 -0.29 0.00 0.00 176.35 173.57 1mdk s VAL 23 N -2.77 -0.25 -0.14 1.68 1.01 -0.97 -2.00 120.40 116.96 1mdk s VAL 23 Ca 0.64 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 62.35 1mdk s VAL 23 Cb -0.20 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1mdk s VAL 23 CO 0.57 -0.29 0.06 -0.69 0.00 0.00 0.00 175.10 174.74 1mdk s VAL 24 N 2.26 4.78 -0.09 2.92 1.01 -0.77 -0.86 120.40 129.65 1mdk s VAL 24 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1mdk s VAL 24 Cb -0.16 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 1mdk s VAL 24 CO -0.15 0.53 -0.09 -0.69 0.00 0.00 0.00 175.10 174.70 1mdk s VAL 25 N -0.23 3.48 -0.44 2.92 1.01 -0.20 -1.21 120.40 125.74 1mdk s VAL 25 Ca 0.08 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 1mdk s VAL 25 Cb -0.12 -2.44 0.10 0.00 0.00 0.00 0.00 36.38 33.92 1mdk s VAL 25 CO 0.01 0.56 0.28 -0.62 0.00 0.00 0.00 175.10 175.33 1mdk s ASP 26 N -0.34 5.56 -1.28 3.32 2.15 -1.14 -2.75 116.67 122.19 1mdk s ASP 26 Ca 0.04 -1.78 -0.15 0.00 0.43 0.00 0.00 52.55 51.09 1mdk s ASP 26 Cb -0.13 -1.95 0.12 0.00 -0.30 0.00 0.00 42.92 40.66 1mdk s ASP 26 CO 0.02 -0.60 1.68 0.49 -0.17 0.00 0.00 175.17 176.59 1mdk n PHE 27 N 4.84 4.48 -4.47 -5.34 3.01 -1.11 -2.34 117.46 116.52 1mdk n PHE 27 Ca -0.08 -3.07 -0.31 0.00 1.01 0.00 0.00 57.45 55.01 1mdk n PHE 27 Cb 0.42 -2.36 -0.11 0.00 -0.01 0.00 0.00 39.48 37.42 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 3.12 4.18 -0.10 4.37 0.01 -1.15 -3.17 113.70 120.96 1mdk s SER 28 Ca 0.47 -0.35 -0.19 0.00 1.31 0.00 0.00 55.95 57.19 1mdk s SER 28 Cb 0.03 -0.79 -0.04 0.00 0.21 0.00 0.00 66.02 65.43 1mdk s SER 28 CO 0.02 0.24 0.53 0.00 0.41 0.00 0.00 173.24 174.44 1mdk s ALA 29 N -1.03 3.45 0.37 1.44 0.00 -1.26 -4.30 121.76 120.42 1mdk s ALA 29 Ca 0.17 -0.11 0.27 0.00 0.00 0.00 0.00 51.96 52.30 1mdk s ALA 29 Cb -0.11 -2.71 1.37 0.00 0.00 0.00 0.00 23.12 21.67 1mdk s ALA 29 CO 0.08 -0.00 2.03 0.00 0.00 0.00 0.00 175.76 177.88 1mdk h THR 30 N 4.67 0.55 0.00 0.00 1.03 -1.98 -2.24 112.91 114.95 1mdk h THR 30 Ca -0.41 -0.62 0.00 0.00 -0.01 0.00 0.00 66.41 65.36 1mdk h THR 30 Cb 1.18 1.41 0.00 0.00 -1.07 0.00 0.00 68.15 69.67 1mdk h THR 30 CO 0.75 0.13 -0.74 4.11 -0.01 0.00 0.00 175.52 179.76 1mdk h TRP 31 N 0.00 0.00 -3.60 0.00 5.08 -2.03 -3.45 115.95 111.95 1mdk h TRP 31 Ca -0.00 0.00 -0.64 0.00 1.08 0.00 0.00 58.89 59.33 1mdk h TRP 31 Cb 0.40 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 26.42 1mdk h TRP 31 CO 0.00 0.00 -0.01 0.00 -1.28 0.00 0.00 178.44 177.15 1mdk h GLY 33 N 9.07 -0.42 -0.18 0.00 0.00 -1.86 -2.30 103.07 107.37 1mdk h GLY 33 Ca -0.28 0.16 0.26 0.00 0.00 0.00 0.00 47.33 47.47 1mdk h GLY 33 CO 0.77 -0.15 0.62 -2.55 0.00 0.00 0.00 176.54 175.23 1mdk h PRO 34 N -0.46 0.49 0.23 4.80 0.11 -1.94 1.62 132.00 136.84 1mdk h PRO 34 Ca -0.04 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 1mdk h PRO 34 Cb 0.35 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1mdk h PRO 34 CO 0.07 0.32 -0.11 0.00 -0.21 0.00 0.00 178.00 178.07 1mdk h ALA 35 N 1.70 -0.30 0.00 -0.75 0.00 -1.83 -3.22 119.26 114.85 1mdk h ALA 35 Ca 0.64 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1mdk h ALA 35 Cb 1.36 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1mdk h ALA 35 CO -0.42 -0.29 0.00 -0.22 0.00 0.00 0.00 179.25 178.32 1mdk h LYS 36 N -1.07 0.00 0.00 0.00 3.64 -0.85 -2.08 116.57 116.20 1mdk h LYS 36 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1mdk h LYS 36 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1mdk h LYS 36 CO 0.05 0.00 0.10 1.98 -2.27 0.00 0.00 179.45 179.31 1mdk h MET 37 N 0.00 0.00 -0.61 1.90 4.05 0.23 0.11 114.93 120.61 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 0.02 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.82 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 -2.95 1.86 0.10 1.77 5.41 -0.78 -4.49 119.36 120.28 1mdk n ILE 38 Ca -0.03 -1.24 -0.02 0.00 1.00 0.00 0.00 62.75 62.47 1mdk n ILE 38 Cb 0.16 0.11 0.24 0.00 -0.71 0.00 0.00 39.64 39.44 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 3.89 0.22 0.00 0.38 2.10 -0.96 -2.71 116.57 119.49 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 1.45 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.77 1mdk h LYS 39 CO 0.23 0.59 0.00 -2.30 -2.00 0.00 0.00 179.45 175.97 1mdk n PRO 40 N -4.04 0.07 0.00 0.07 -0.02 -1.26 -2.36 135.00 127.47 1mdk n PRO 40 Ca -0.01 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 1mdk n PRO 40 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 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 -1.26 0.00 -0.33 6.00 3.01 -1.03 -4.05 117.46 119.80 1mdk n PHE 41 Ca 0.02 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.41 1mdk n PHE 41 Cb 0.04 0.00 -0.03 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 -1.43 -0.09 1.38 3.57 -1.62 0.53 116.94 119.28 1mdk h PHE 42 Ca 0.00 0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1mdk h PHE 42 Cb 0.00 0.74 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1mdk h PHE 42 CO 0.00 -0.40 -0.28 1.25 -2.23 0.00 0.00 178.31 176.65 1mdk h HIS 43 N -0.09 0.18 -0.63 0.41 2.76 -1.71 -2.77 115.15 113.29 1mdk h HIS 43 Ca 0.22 -0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.29 1mdk h HIS 43 Cb 0.53 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.42 1mdk h HIS 43 CO -0.87 0.44 0.12 0.77 -1.30 0.00 0.00 177.93 177.09 1mdk h SER 44 N 0.15 0.96 0.00 3.26 0.02 -0.09 -2.07 113.55 115.78 1mdk h SER 44 Ca 0.02 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1mdk h SER 44 Cb 0.58 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1mdk h SER 44 CO 0.04 0.95 0.31 0.18 -1.14 0.00 0.00 176.83 177.17 1mdk n LEU 45 N -4.23 0.16 -0.24 5.07 4.77 0.12 -0.99 117.00 121.65 1mdk n LEU 45 Ca 0.04 0.39 0.07 0.00 -0.03 0.00 0.00 56.01 56.48 1mdk n LEU 45 Cb 0.27 -0.35 0.32 0.00 -2.33 0.00 0.00 43.42 41.32 1mdk n LEU 45 CO 0.42 -0.45 1.23 0.28 -1.33 0.00 0.00 177.39 177.54 1mdk h SER 46 N 0.00 0.75 0.34 -1.43 0.02 -1.52 0.25 113.55 111.96 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 0.62 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1mdk h SER 46 CO 0.00 0.46 -1.00 -0.62 -1.14 0.00 0.00 176.83 174.54 1mdk n GLU 47 N -4.50 0.21 0.01 3.45 1.02 -0.16 -3.91 120.64 116.77 1mdk n GLU 47 Ca 0.13 -0.01 -0.04 0.00 -0.02 0.00 0.00 57.16 57.22 1mdk n GLU 47 Cb 0.27 -1.56 -0.11 0.00 -0.02 0.00 0.00 31.44 30.02 1mdk n GLU 47 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1mdk n LYS 48 N -1.82 0.63 -3.38 3.49 3.00 -0.60 -4.53 118.16 114.94 1mdk n LYS 48 Ca 0.03 0.25 -0.26 0.00 -0.00 0.00 0.00 58.31 58.33 1mdk n LYS 48 Cb 0.41 -1.80 -0.08 0.00 0.00 0.00 0.00 35.03 33.56 1mdk n LYS 48 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1mdk n TYR 49 N -2.95 1.22 0.55 5.64 4.01 0.78 -4.90 117.16 121.51 1mdk n TYR 49 Ca -0.13 -3.80 0.05 0.00 -0.16 0.00 0.00 57.90 53.87 1mdk n TYR 49 Cb 0.93 -0.35 0.28 0.00 -0.31 0.00 0.00 39.34 39.89 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 1.52 0.00 -0.53 7.72 3.41 -1.25 -1.28 113.62 123.21 1mdk n SER 50 Ca 0.25 0.03 0.12 0.00 -0.26 0.00 0.00 58.87 59.01 1mdk n SER 50 Cb 0.46 -0.22 0.19 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.22 1.90 -4.51 4.04 5.15 -1.26 -4.68 115.26 114.68 1mdk n ASN 51 Ca 0.06 -1.46 -0.29 0.00 -0.60 0.00 0.00 54.58 52.29 1mdk n ASN 51 Cb 0.07 0.22 -0.11 0.00 -0.53 0.00 0.00 39.78 39.44 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 -2.32 2.97 -0.20 3.44 1.01 -0.40 -4.53 120.40 120.37 1mdk s VAL 52 Ca 0.25 -1.46 -0.10 0.00 0.00 0.00 0.00 61.98 60.67 1mdk s VAL 52 Cb 0.19 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 1mdk s VAL 52 CO 0.47 0.10 0.13 -0.63 0.00 0.00 0.00 175.10 175.16 1mdk s ILE 53 N -1.18 5.40 -0.10 2.22 -1.09 -0.85 -3.97 121.20 121.63 1mdk s ILE 53 Ca 0.19 0.18 0.01 0.00 -2.23 0.00 0.00 60.65 58.81 1mdk s ILE 53 Cb -0.11 -3.46 -0.02 0.00 -1.58 0.00 0.00 42.46 37.30 1mdk s ILE 53 CO 0.11 0.45 -0.15 -0.36 -1.23 0.00 0.00 174.94 173.76 1mdk s PHE 54 N 0.29 2.74 0.43 3.97 0.08 -0.79 -1.85 117.98 122.85 1mdk s PHE 54 Ca 0.08 -0.58 0.07 0.00 0.12 0.00 0.00 56.93 56.62 1mdk s PHE 54 Cb -0.11 -1.77 -0.04 0.00 -0.57 0.00 0.00 43.02 40.53 1mdk s PHE 54 CO -0.02 -0.14 0.20 -0.51 -0.10 0.00 0.00 175.22 174.65 1mdk s LEU 55 N 0.08 3.02 -0.02 -0.37 1.02 -0.35 -1.42 118.68 120.64 1mdk s LEU 55 Ca -0.06 -1.13 -0.02 0.00 0.02 0.00 0.00 54.13 52.94 1mdk s LEU 55 Cb -0.15 -1.38 0.01 0.00 0.02 0.00 0.00 46.19 44.69 1mdk s LEU 55 CO 0.05 -0.63 0.06 -0.70 0.02 0.00 0.00 176.35 175.15 1mdk s GLU 56 N -3.95 0.07 -0.01 1.70 2.12 -0.22 -2.89 118.70 115.51 1mdk s GLU 56 Ca 0.38 0.11 0.01 0.00 0.36 0.00 0.00 54.97 55.82 1mdk s GLU 56 Cb 0.03 0.01 0.01 0.00 0.26 0.00 0.00 34.13 34.43 1mdk s GLU 56 CO 0.21 -0.03 -0.01 0.08 -0.54 0.00 0.00 175.26 174.98 1mdk s VAL 57 N 0.15 0.14 -0.51 3.70 1.01 -0.99 -1.74 120.40 122.17 1mdk s VAL 57 Ca -0.01 -0.02 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 1mdk s VAL 57 Cb -0.02 -0.16 0.10 0.00 0.00 0.00 0.00 36.38 36.29 1mdk s VAL 57 CO -0.00 0.07 0.49 -0.62 0.00 0.00 0.00 175.10 175.04 1mdk s ASP 58 N 0.28 6.18 0.00 3.32 2.15 -1.26 -2.95 116.67 124.39 1mdk s ASP 58 Ca -0.02 -1.46 0.02 0.00 0.43 0.00 0.00 52.55 51.51 1mdk s ASP 58 Cb -0.05 -2.22 0.10 0.00 -0.30 0.00 0.00 42.92 40.45 1mdk s ASP 58 CO -0.01 -0.80 0.62 1.33 -0.17 0.00 0.00 175.17 176.14 1mdk n VAL 59 N 5.30 0.10 -0.03 1.11 0.24 -1.26 -0.89 118.33 122.90 1mdk n VAL 59 Ca -0.12 0.02 -0.04 0.00 -2.04 0.00 0.00 64.34 62.17 1mdk n VAL 59 Cb 0.42 -1.00 -0.03 0.00 -1.47 0.00 0.00 33.84 31.76 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 -1.03 3.57 0.02 -1.34 8.00 -1.26 -4.49 116.55 120.03 1mdk n ASP 60 Ca 0.01 -0.03 0.11 0.00 0.71 0.00 0.00 54.79 55.60 1mdk n ASP 60 Cb 0.01 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 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 -2.58 0.61 -2.67 -2.24 2.03 -1.07 -4.33 116.55 106.31 1mdk n ASP 61 Ca -0.10 -0.29 -0.23 0.00 0.52 0.00 0.00 54.79 54.69 1mdk n ASP 61 Cb 0.63 0.87 -0.00 0.00 -0.72 0.00 0.00 41.12 41.90 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 -1.81 4.42 0.31 -1.67 0.00 -0.07 -4.87 120.51 116.82 1mdk n ALA 62 Ca 0.02 -4.09 0.15 0.00 0.00 0.00 0.00 53.44 49.51 1mdk n ALA 62 Cb 0.43 -0.69 0.79 0.00 0.00 0.00 0.00 19.45 19.98 1mdk n ALA 62 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1mdk h GLN 63 N 2.78 0.00 -0.48 0.00 4.20 -1.75 -0.86 115.11 119.00 1mdk h GLN 63 Ca 0.17 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.75 1mdk h GLN 63 Cb 0.89 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 1mdk h GLN 63 CO 0.75 0.00 -0.21 0.38 -0.67 0.00 0.00 178.83 179.08 1mdk h ASP 64 N 0.00 1.00 -0.02 1.46 3.04 -1.93 0.82 116.42 120.79 1mdk h ASP 64 Ca 0.00 -0.37 -0.04 0.00 -3.24 0.00 0.00 57.03 53.38 1mdk h ASP 64 Cb 0.58 -0.27 0.00 0.00 -1.04 0.00 0.00 39.33 38.60 1mdk h ASP 64 CO 0.00 1.16 -0.15 0.58 -2.04 0.00 0.00 179.24 178.79 1mdk h VAL 65 N 0.84 1.52 -0.60 4.15 2.07 -1.53 -2.47 116.25 120.22 1mdk h VAL 65 Ca 0.11 -1.73 -0.10 0.00 0.82 0.00 0.00 66.70 65.81 1mdk h VAL 65 Cb 0.78 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 33.12 1mdk h VAL 65 CO 0.06 0.47 -0.00 0.00 0.02 0.00 0.00 177.57 178.12 1mdk h ALA 66 N 0.33 0.81 -0.61 1.67 0.00 -1.51 -2.20 119.26 117.75 1mdk h ALA 66 Ca -0.01 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1mdk h ALA 66 Cb 0.84 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1mdk h ALA 66 CO 0.03 0.65 0.22 1.03 0.00 0.00 0.00 179.25 181.18 1mdk h SER 67 N 0.96 0.86 -0.66 0.00 0.87 0.61 0.47 113.55 116.66 1mdk h SER 67 Ca 0.17 -0.19 -0.05 0.00 -1.23 0.00 0.00 61.79 60.49 1mdk h SER 67 Cb 0.56 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 1mdk h SER 67 CO 0.03 0.82 0.22 -0.08 -0.53 0.00 0.00 176.83 177.29 1mdk h GLU 68 N 0.86 1.04 -0.02 2.24 4.22 -1.30 -1.78 114.58 119.84 1mdk h GLU 68 Ca 0.20 -0.21 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1mdk h GLU 68 Cb 0.25 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1mdk h GLU 68 CO -0.01 0.89 0.00 0.00 -2.18 0.00 0.00 179.01 177.71 1mdk n ALA 69 N -2.45 2.60 -3.83 2.92 0.00 -0.84 -4.94 120.51 113.96 1mdk n ALA 69 Ca 0.06 -0.40 -0.31 0.00 0.00 0.00 0.00 53.44 52.79 1mdk n ALA 69 Cb 0.22 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.06 -1.85 -2.68 0.00 4.71 0.16 -4.89 120.64 116.02 1mdk n GLU 70 Ca 0.20 0.39 -0.41 0.00 -0.01 0.00 0.00 57.16 57.32 1mdk n GLU 70 Cb 0.30 -4.08 -0.04 0.00 -1.01 0.00 0.00 31.44 26.62 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 -3.66 4.53 0.00 2.62 1.01 -0.84 -4.91 120.40 119.15 1mdk s VAL 71 Ca 0.30 1.98 0.00 0.00 0.00 0.00 0.00 61.98 64.26 1mdk s VAL 71 Cb -0.12 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.99 1mdk s VAL 71 CO 0.89 0.24 0.45 0.29 0.00 0.00 0.00 175.10 176.96 1mdk n LYS 72 N 3.23 0.27 -3.67 2.72 5.02 -1.26 -4.96 118.16 119.51 1mdk n LYS 72 Ca 0.04 -0.54 -0.08 0.00 -2.02 0.00 0.00 58.31 55.70 1mdk n LYS 72 Cb 0.49 -0.76 -0.09 0.00 -0.02 0.00 0.00 35.03 34.65 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 -1.22 0.10 7.82 0.00 -1.26 -5.16 121.76 121.84 1mdk s ALA 73 Ca 0.00 1.61 0.05 0.00 0.00 0.00 0.00 51.96 53.62 1mdk s ALA 73 Cb 0.00 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.83 1mdk s ALA 73 CO 0.00 -0.62 -0.01 0.95 0.00 0.00 0.00 175.76 176.08 1mdk s THR 74 N 2.26 3.91 0.25 0.00 -4.23 -1.26 -3.52 115.64 113.04 1mdk s THR 74 Ca -0.04 -1.05 -0.30 0.00 -1.18 0.00 0.00 61.69 59.11 1mdk s THR 74 Cb -0.11 -2.86 -0.09 0.00 1.34 0.00 0.00 72.50 70.78 1mdk s THR 74 CO -0.13 0.10 1.02 -2.16 -0.54 0.00 0.00 174.62 172.90 1mdk s PRO 75 N -2.33 4.75 -0.31 3.99 0.04 -1.26 -4.80 135.00 135.08 1mdk s PRO 75 Ca 0.25 1.63 -0.05 0.00 0.04 0.00 0.00 61.00 62.87 1mdk s PRO 75 Cb -0.11 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 31.21 1mdk s PRO 75 CO 0.18 0.36 0.07 0.99 0.04 0.00 0.00 177.00 178.63 1mdk s THR 76 N -1.07 3.64 -0.27 1.26 2.01 -1.19 -3.10 115.64 116.91 1mdk s THR 76 Ca 0.43 -1.02 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 1mdk s THR 76 Cb -0.29 -2.99 -0.01 0.00 0.01 0.00 0.00 72.50 69.22 1mdk s THR 76 CO 0.36 -0.05 0.64 -0.36 -0.69 0.00 0.00 174.62 174.52 1mdk s PHE 77 N 1.40 3.26 -0.09 4.92 0.08 -0.56 -2.75 117.98 124.24 1mdk s PHE 77 Ca -0.01 0.75 0.03 0.00 0.12 0.00 0.00 56.93 57.83 1mdk s PHE 77 Cb -0.18 -2.91 -0.01 0.00 -0.57 0.00 0.00 43.02 39.35 1mdk s PHE 77 CO 0.01 -0.38 -0.19 -0.65 -0.10 0.00 0.00 175.22 173.91 1mdk s GLN 78 N 2.56 2.98 -0.21 0.44 -0.21 -1.11 -0.34 119.66 123.78 1mdk s GLN 78 Ca 0.26 -0.79 -0.05 0.00 0.02 0.00 0.00 55.36 54.80 1mdk s GLN 78 Cb -0.15 -2.40 -0.02 0.00 1.00 0.00 0.00 33.01 31.43 1mdk s GLN 78 CO 0.10 0.30 -0.00 -0.06 -2.12 0.00 0.00 175.29 173.51 1mdk s PHE 79 N 0.08 3.03 0.23 0.91 0.40 -0.61 -1.03 117.98 120.99 1mdk s PHE 79 Ca -0.08 -0.51 0.11 0.00 -0.60 0.00 0.00 56.93 55.85 1mdk s PHE 79 Cb -0.15 -2.10 -0.05 0.00 0.51 0.00 0.00 43.02 41.23 1mdk s PHE 79 CO 0.05 -0.28 -0.21 -0.06 0.70 0.00 0.00 175.22 175.42 1mdk s PHE 80 N 1.10 2.22 -0.23 0.36 0.08 -0.04 -2.37 117.98 119.10 1mdk s PHE 80 Ca 0.02 -0.37 -0.11 0.00 0.12 0.00 0.00 56.93 56.60 1mdk s PHE 80 Cb -0.14 -1.03 0.08 0.00 -0.57 0.00 0.00 43.02 41.36 1mdk s PHE 80 CO 0.01 0.58 0.54 0.21 -0.10 0.00 0.00 175.22 176.46 1mdk s LYS 81 N -3.13 0.50 -1.59 0.44 2.20 0.14 -2.29 119.74 116.02 1mdk s LYS 81 Ca 0.25 1.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.95 1mdk s LYS 81 Cb -0.06 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.53 1mdk s LYS 81 CO 0.12 -0.18 0.00 1.63 -0.36 0.00 0.00 175.35 176.55 1mdk n LYS 82 N 4.74 -1.72 -0.85 4.03 5.02 -1.26 0.30 118.16 128.42 1mdk n LYS 82 Ca -0.17 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1mdk n LYS 82 Cb 0.54 -5.41 0.00 0.00 -0.02 0.00 0.00 35.03 30.14 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 -0.69 0.81 3.60 0.72 0.00 -1.26 -4.99 105.19 103.38 1mdk n GLY 83 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.15 2.35 0.23 1.61 -0.21 0.15 -5.11 119.66 118.52 1mdk s GLN 84 Ca 0.00 -0.89 -0.17 0.00 0.02 0.00 0.00 55.36 54.32 1mdk s GLN 84 Cb 0.00 -2.41 -0.08 0.00 1.00 0.00 0.00 33.01 31.52 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 -1.97 4.13 0.00 2.91 2.20 -1.26 0.29 119.74 126.04 1mdk s LYS 85 Ca 0.21 0.74 0.00 0.00 -0.36 0.00 0.00 55.97 56.56 1mdk s LYS 85 Cb -0.11 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.43 1mdk s LYS 85 CO 0.13 0.35 0.00 1.33 -0.36 0.00 0.00 175.35 176.80 1mdk n VAL 86 N 0.46 0.00 -3.90 4.02 0.24 -1.00 -4.91 118.33 113.25 1mdk n VAL 86 Ca -0.01 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1mdk n VAL 86 Cb 0.52 -0.63 0.01 0.00 -1.47 0.00 0.00 33.84 32.27 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 -2.29 -0.05 -0.18 7.63 0.00 -1.24 -5.05 107.32 106.13 1mdk s GLY 87 Ca 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 44.72 44.34 1mdk s GLY 87 CO 0.00 3.43 1.15 -1.83 0.00 0.00 0.00 173.10 175.85 1mdk s GLU 88 N -2.18 0.39 -0.29 2.90 1.03 -1.26 -1.58 118.70 117.71 1mdk s GLU 88 Ca 0.24 -0.02 -0.17 0.00 0.03 0.00 0.00 54.97 55.04 1mdk s GLU 88 Cb -0.01 0.18 0.14 0.00 -0.80 0.00 0.00 34.13 33.64 1mdk s GLU 88 CO 0.02 -0.15 0.98 -0.59 -1.33 0.00 0.00 175.26 174.19 1mdk s PHE 89 N -1.75 -0.57 0.00 4.83 -0.12 0.54 -5.00 117.98 115.91 1mdk s PHE 89 Ca 0.05 1.16 0.00 0.00 -0.05 0.00 0.00 56.93 58.09 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 3.48 0.24 -0.19 1.98 3.41 -1.26 -1.49 113.62 119.79 1mdk n SER 90 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 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 -3.23 3.53 5.00 0.00 -1.18 -4.68 105.19 109.64 1mdk n GLY 91 Ca 0.00 -0.91 -0.26 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.15 0.62 -3.33 4.61 0.00 -1.26 -4.76 120.51 116.23 1mdk n ALA 92 Ca 0.00 -0.95 -0.26 0.00 0.00 0.00 0.00 53.44 52.23 1mdk n ALA 92 Cb 0.00 -2.90 -0.09 0.00 0.00 0.00 0.00 19.45 16.46 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 13.73 -0.18 -0.24 0.00 2.85 -1.26 -4.98 115.26 125.18 1mdk n ASN 93 Ca 0.52 -2.50 -0.07 0.00 -0.11 0.00 0.00 54.58 52.42 1mdk n ASN 93 Cb 0.33 -0.58 0.04 0.00 1.24 0.00 0.00 39.78 40.81 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 5.07 1.05 0.00 1.20 2.10 -1.97 -2.51 116.57 121.51 1mdk h LYS 94 Ca 0.20 -0.22 -0.03 0.00 -2.00 0.00 0.00 60.65 58.60 1mdk h LYS 94 Cb 0.90 -0.15 -0.00 0.00 -0.90 0.00 0.00 32.23 32.07 1mdk h LYS 94 CO 0.41 0.91 -0.13 0.93 -2.00 0.00 0.00 179.45 179.56 1mdk h GLU 95 N 0.98 0.00 -0.16 0.07 5.08 -2.00 -2.09 114.58 116.47 1mdk h GLU 95 Ca 0.22 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.46 1mdk h GLU 95 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1mdk h GLU 95 CO -0.01 0.13 -0.42 -0.22 -1.00 0.00 0.00 179.01 177.50 1mdk h LYS 96 N 0.00 0.37 -0.79 2.33 3.64 -1.87 -2.61 116.57 117.64 1mdk h LYS 96 Ca -0.00 -0.18 0.13 0.00 -1.27 0.00 0.00 60.65 59.33 1mdk h LYS 96 Cb 0.33 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.10 1mdk h LYS 96 CO 0.02 0.72 0.52 -0.07 -2.27 0.00 0.00 179.45 178.37 1mdk h LEU 97 N 0.30 0.52 0.41 5.20 3.38 -1.36 0.28 115.31 124.04 1mdk h LEU 97 Ca 0.03 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1mdk h LEU 97 Cb 0.87 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1mdk h LEU 97 CO 0.07 0.28 -0.20 -0.08 0.09 0.00 0.00 178.44 178.61 1mdk h GLU 98 N 0.56 -0.53 -0.74 1.13 4.81 -1.56 -0.15 114.58 118.10 1mdk h GLU 98 Ca 0.39 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.67 1mdk h GLU 98 Cb 0.71 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.16 1mdk h GLU 98 CO -0.15 -0.22 0.48 0.00 -0.73 0.00 0.00 179.01 178.40 1mdk h ALA 99 N -0.47 0.96 -0.21 2.92 0.00 -1.33 -0.66 119.26 120.48 1mdk h ALA 99 Ca -0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1mdk h ALA 99 Cb 0.55 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1mdk h ALA 99 CO 0.09 0.31 0.01 1.15 0.00 0.00 0.00 179.25 180.82 1mdk h THR 100 N 0.96 1.24 -0.03 0.00 2.02 -0.47 -1.03 112.91 115.60 1mdk h THR 100 Ca 0.29 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.64 1mdk h THR 100 Cb -0.05 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1mdk h THR 100 CO -0.09 0.25 0.02 0.40 0.37 0.00 0.00 175.52 176.48 1mdk h ILE 101 N 0.13 1.02 0.00 3.11 2.04 -0.77 0.28 117.51 123.31 1mdk h ILE 101 Ca 0.06 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1mdk h ILE 101 Cb 0.36 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1mdk h ILE 101 CO 0.01 0.02 0.00 -1.13 0.00 0.00 0.00 178.15 177.04 1mdk h ASN 102 N 0.03 0.00 0.02 1.72 -1.24 -1.05 0.33 115.58 115.39 1mdk h ASN 102 Ca 0.01 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.02 1mdk h ASN 102 Cb 0.01 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.06 1mdk h ASN 102 CO -0.00 0.00 -0.01 -0.08 -1.29 0.00 0.00 177.43 176.05 1mdk h GLU 103 N 0.00 -0.02 -0.57 6.67 4.81 0.41 -3.33 114.58 122.54 1mdk h GLU 103 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1mdk h GLU 103 Cb 0.11 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1mdk h GLU 103 CO 0.00 0.42 0.00 1.28 -0.73 0.00 0.00 179.01 179.98 1mdk n LEU 104 N -4.73 3.04 0.00 1.64 4.77 -0.66 -5.10 117.00 115.97 1mdk n LEU 104 Ca -0.05 -1.53 0.03 0.00 -0.03 0.00 0.00 56.01 54.43 1mdk n LEU 104 Cb 0.22 -0.43 0.19 0.00 -2.33 0.00 0.00 43.42 41.07 1mdk n LEU 104 CO 0.16 0.56 0.43 0.55 -1.33 0.00 0.00 177.39 177.75