#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 4.43 -0.23 2.03 1.01 -1.26 -2.38 120.40 124.00 1mdk s VAL 2 Ca 0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 1mdk s VAL 2 Cb 0.00 -3.62 0.10 0.00 0.00 0.00 0.00 36.38 32.86 1mdk s VAL 2 CO 0.00 -0.40 0.50 -0.75 0.00 0.00 0.00 175.10 174.46 1mdk s LYS 3 N -4.41 0.43 -0.04 2.72 2.47 -0.54 -4.94 119.74 115.43 1mdk s LYS 3 Ca 0.45 1.13 -0.18 0.00 -1.56 0.00 0.00 55.97 55.81 1mdk s LYS 3 Cb -0.10 0.41 -0.05 0.00 -1.46 0.00 0.00 37.83 36.63 1mdk s LYS 3 CO 0.36 -0.22 0.49 -1.14 0.16 0.00 0.00 175.35 175.00 1mdk s GLN 4 N 2.43 4.20 -0.34 4.03 0.74 -1.26 -1.16 119.66 128.29 1mdk s GLN 4 Ca -0.05 0.52 -0.07 0.00 0.05 0.00 0.00 55.36 55.81 1mdk s GLN 4 Cb -0.11 -3.34 0.04 0.00 1.10 0.00 0.00 33.01 30.71 1mdk s GLN 4 CO -0.15 0.40 0.12 0.42 -0.55 0.00 0.00 175.29 175.53 1mdk s ILE 5 N -0.20 3.86 -1.52 -2.34 -1.09 -0.48 -4.92 121.20 114.52 1mdk s ILE 5 Ca 0.26 -1.13 0.21 0.00 -2.23 0.00 0.00 60.65 57.77 1mdk s ILE 5 Cb -0.17 -3.19 -0.10 0.00 -1.58 0.00 0.00 42.46 37.42 1mdk s ILE 5 CO 0.13 -0.20 0.96 -0.62 -1.23 0.00 0.00 174.94 173.99 1mdk n GLU 6 N 4.83 0.90 -3.69 2.79 1.02 -1.26 -4.32 120.64 120.90 1mdk n GLU 6 Ca -0.12 -0.56 -0.13 0.00 -0.02 0.00 0.00 57.16 56.33 1mdk n GLU 6 Cb 0.45 -1.45 -0.07 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 -2.60 -0.26 0.46 1.62 1.04 -1.26 -4.67 113.70 108.02 1mdk s SER 7 Ca 0.13 0.03 0.21 0.00 0.48 0.00 0.00 55.95 56.80 1mdk s SER 7 Cb 0.16 0.40 1.20 0.00 0.10 0.00 0.00 66.02 67.88 1mdk s SER 7 CO 0.66 -0.61 1.89 0.50 0.98 0.00 0.00 173.24 176.66 1mdk h LYS 8 N 3.21 0.27 -0.90 4.02 3.64 -1.93 0.56 116.57 125.44 1mdk h LYS 8 Ca -0.31 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.07 1mdk h LYS 8 Cb 1.19 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 1mdk h LYS 8 CO 0.43 0.18 0.59 1.15 -2.27 0.00 0.00 179.45 179.53 1mdk h THR 9 N 0.27 1.21 0.00 1.00 2.02 -2.01 -1.33 112.91 114.07 1mdk h THR 9 Ca 0.42 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 1mdk h THR 9 Cb 1.22 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1mdk h THR 9 CO -0.11 0.22 -0.29 0.00 0.37 0.00 0.00 175.52 175.70 1mdk h ALA 10 N 1.34 1.08 0.17 6.16 0.00 -1.30 -2.90 119.26 123.82 1mdk h ALA 10 Ca 0.34 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1mdk h ALA 10 Cb -0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1mdk h ALA 10 CO -0.08 0.37 -0.08 0.35 0.00 0.00 0.00 179.25 179.80 1mdk h PHE 11 N 0.00 -0.21 -0.91 0.00 3.57 -0.97 0.14 116.94 118.56 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 0.75 0.07 -0.08 0.00 2.79 0.00 0.00 35.95 39.48 1mdk h PHE 11 CO 0.00 -0.13 0.55 -0.56 -2.23 0.00 0.00 178.31 175.94 1mdk h GLN 12 N -0.23 0.87 -0.78 1.11 3.07 -1.63 0.14 115.11 117.66 1mdk h GLN 12 Ca -0.02 -0.05 0.01 0.00 0.09 0.00 0.00 58.65 58.68 1mdk h GLN 12 Cb 0.17 -0.20 -0.04 0.00 0.08 0.00 0.00 27.48 27.50 1mdk h GLN 12 CO 0.04 0.57 0.52 0.93 0.09 0.00 0.00 178.83 180.98 1mdk h GLU 13 N 0.89 1.02 -0.37 0.06 4.39 -1.43 -1.38 114.58 117.77 1mdk h GLU 13 Ca 0.45 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 60.08 1mdk h GLU 13 Cb 0.42 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1mdk h GLU 13 CO -0.26 0.67 0.22 0.00 -1.16 0.00 0.00 179.01 178.49 1mdk h ALA 14 N 1.52 0.47 -0.42 3.43 0.00 0.14 0.77 119.26 125.16 1mdk h ALA 14 Ca 0.29 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1mdk h ALA 14 Cb -0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1mdk h ALA 14 CO -0.07 -0.04 0.17 -0.07 0.00 0.00 0.00 179.25 179.24 1mdk h LEU 15 N 0.48 0.59 -0.69 0.00 3.38 -1.08 0.39 115.31 118.38 1mdk h LEU 15 Ca 0.13 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1mdk h LEU 15 Cb -0.00 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1mdk h LEU 15 CO -0.03 0.60 0.24 -0.78 0.09 0.00 0.00 178.44 178.56 1mdk h ASP 16 N 0.54 0.98 1.45 -0.43 3.58 -0.98 -2.12 116.42 119.43 1mdk h ASP 16 Ca 0.14 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.40 1mdk h ASP 16 Cb 0.20 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1mdk h ASP 16 CO -0.01 0.91 -0.01 0.00 -2.88 0.00 0.00 179.24 177.25 1mdk n ALA 17 N -2.41 2.29 0.56 -0.78 0.00 0.24 -3.18 120.51 117.22 1mdk n ALA 17 Ca 0.05 -0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.52 1mdk n ALA 17 Cb 0.20 -1.47 0.31 0.00 0.00 0.00 0.00 19.45 18.50 1mdk n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mdk n ALA 18 N -1.77 1.70 -0.41 0.00 0.00 0.14 -4.93 120.51 115.24 1mdk n ALA 18 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1mdk n ALA 18 Cb 0.43 -1.21 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 -0.19 2.14 0.00 0.00 0.00 -1.19 -3.28 105.19 102.66 1mdk n GLY 19 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 10.13 0.06 -4.66 1.61 8.00 -1.26 -4.49 116.55 125.94 1mdk n ASP 20 Ca 0.00 -1.02 -0.29 0.00 0.71 0.00 0.00 54.79 54.19 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 -0.02 0.34 0.91 -1.24 1.02 -1.21 -4.74 119.74 114.80 1mdk s LYS 21 Ca 0.00 0.45 -0.11 0.00 0.02 0.00 0.00 55.97 56.33 1mdk s LYS 21 Cb 0.00 -1.73 0.14 0.00 -0.52 0.00 0.00 37.83 35.72 1mdk s LYS 21 CO 0.00 -2.78 1.11 -1.17 -0.92 0.00 0.00 175.35 171.60 1mdk s LEU 22 N -6.47 2.61 -0.24 3.17 0.20 -1.26 -4.66 118.68 112.03 1mdk s LEU 22 Ca 0.66 1.96 -0.03 0.00 0.69 0.00 0.00 54.13 57.41 1mdk s LEU 22 Cb -0.18 -4.37 0.11 0.00 -0.43 0.00 0.00 46.19 41.32 1mdk s LEU 22 CO 0.57 -2.93 0.24 -0.69 -0.29 0.00 0.00 176.35 173.25 1mdk s VAL 23 N -2.72 -0.33 -0.17 1.68 1.01 -0.89 -2.10 120.40 116.88 1mdk s VAL 23 Ca 0.65 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 62.28 1mdk s VAL 23 Cb -0.21 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1mdk s VAL 23 CO 0.58 -0.33 0.04 -0.69 0.00 0.00 0.00 175.10 174.70 1mdk s VAL 24 N 2.32 4.58 -0.08 2.92 1.01 -0.84 -0.48 120.40 129.82 1mdk s VAL 24 Ca 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 1mdk s VAL 24 Cb -0.15 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1mdk s VAL 24 CO -0.21 0.47 0.00 -0.69 0.00 0.00 0.00 175.10 174.68 1mdk s VAL 25 N 0.32 4.34 -0.45 2.92 1.01 0.30 -1.46 120.40 127.38 1mdk s VAL 25 Ca 0.02 -0.25 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 1mdk s VAL 25 Cb -0.13 -2.83 0.12 0.00 0.00 0.00 0.00 36.38 33.54 1mdk s VAL 25 CO 0.01 0.60 0.27 -0.62 0.00 0.00 0.00 175.10 175.36 1mdk s ASP 26 N -0.91 5.41 -1.17 3.32 2.15 -1.11 -2.48 116.67 121.88 1mdk s ASP 26 Ca 0.13 -2.06 -0.17 0.00 0.43 0.00 0.00 52.55 50.88 1mdk s ASP 26 Cb -0.11 -1.89 0.11 0.00 -0.30 0.00 0.00 42.92 40.72 1mdk s ASP 26 CO 0.03 -0.58 1.51 -0.36 -0.17 0.00 0.00 175.17 175.59 1mdk s PHE 27 N 1.12 3.04 0.00 -5.34 0.40 -1.00 -2.52 117.98 113.68 1mdk s PHE 27 Ca 0.08 -1.65 0.00 0.00 -0.60 0.00 0.00 56.93 54.76 1mdk s PHE 27 Cb -0.24 -4.53 0.00 0.00 0.51 0.00 0.00 43.02 38.76 1mdk s PHE 27 CO -0.03 -1.64 0.00 0.43 0.70 0.00 0.00 175.22 174.68 1mdk n SER 28 N 7.27 0.94 -3.72 1.36 7.64 -1.17 -2.49 113.62 123.45 1mdk n SER 28 Ca 0.39 -0.32 -0.17 0.00 1.01 0.00 0.00 58.87 59.77 1mdk n SER 28 Cb 0.46 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.49 1mdk n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mdk s ALA 29 N -2.00 0.12 0.39 -0.43 0.00 -1.26 -3.14 121.76 115.44 1mdk s ALA 29 Ca 0.00 0.28 0.12 0.00 0.00 0.00 0.00 51.96 52.36 1mdk s ALA 29 Cb 0.00 -0.45 0.80 0.00 0.00 0.00 0.00 23.12 23.48 1mdk s ALA 29 CO 0.00 -0.30 1.89 0.00 0.00 0.00 0.00 175.76 177.35 1mdk h THR 30 N 6.35 1.21 0.00 0.00 1.03 -1.99 -2.48 112.91 117.03 1mdk h THR 30 Ca -0.29 -0.97 0.00 0.00 -0.01 0.00 0.00 66.41 65.14 1mdk h THR 30 Cb 1.12 1.46 0.00 0.00 -1.07 0.00 0.00 68.15 69.66 1mdk h THR 30 CO 0.32 0.28 -0.43 -2.67 -0.01 0.00 0.00 175.52 173.01 1mdk n TRP 31 N -4.21 0.57 -3.45 0.00 4.27 -1.26 -4.79 117.44 108.58 1mdk n TRP 31 Ca -0.02 0.17 -0.37 0.00 -3.89 0.00 0.00 57.50 53.39 1mdk n TRP 31 Cb 0.33 -0.68 -0.07 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 6.98 -0.39 -0.32 0.00 0.00 -1.86 -2.96 103.07 104.52 1mdk h GLY 33 Ca -0.40 0.14 0.31 0.00 0.00 0.00 0.00 47.33 47.39 1mdk h GLY 33 CO 0.74 -0.14 0.77 -2.55 0.00 0.00 0.00 176.54 175.36 1mdk h PRO 34 N -0.90 0.19 0.19 4.80 0.11 -1.94 0.78 132.00 135.23 1mdk h PRO 34 Ca -0.04 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1mdk h PRO 34 Cb 0.51 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1mdk h PRO 34 CO 0.06 0.13 -0.09 0.00 -0.21 0.00 0.00 178.00 177.89 1mdk h ALA 35 N 1.53 -0.25 0.00 -0.75 0.00 -1.85 -3.25 119.26 114.69 1mdk h ALA 35 Ca 0.60 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1mdk h ALA 35 Cb 1.93 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1mdk h ALA 35 CO -0.18 -0.23 0.00 -0.22 0.00 0.00 0.00 179.25 178.62 1mdk h LYS 36 N -1.06 0.00 0.00 0.00 3.64 -1.19 -1.91 116.57 116.05 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 0.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1mdk h LYS 36 CO 0.04 0.00 0.01 1.98 -2.27 0.00 0.00 179.45 179.21 1mdk h MET 37 N 0.00 0.00 -0.66 1.90 4.05 0.54 -0.44 114.93 120.31 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 -3.01 0.88 0.11 1.77 5.41 -0.72 -4.43 119.36 119.39 1mdk n ILE 38 Ca -0.03 -0.93 -0.00 0.00 1.00 0.00 0.00 62.75 62.79 1mdk n ILE 38 Cb 0.07 0.57 0.29 0.00 -0.71 0.00 0.00 39.64 39.86 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 4.28 0.21 0.00 0.38 2.10 -1.24 -2.56 116.57 119.73 1mdk h LYS 39 Ca 0.00 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1mdk h LYS 39 Cb 0.97 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1mdk h LYS 39 CO 0.00 0.52 0.00 -2.30 -2.00 0.00 0.00 179.45 175.67 1mdk n PRO 40 N -4.10 0.07 0.00 0.07 -0.02 -1.26 -2.23 135.00 127.52 1mdk n PRO 40 Ca -0.01 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1mdk n PRO 40 Cb 0.41 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 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 -1.25 0.00 -0.28 6.00 3.01 -0.98 -4.08 117.46 119.87 1mdk n PHE 41 Ca 0.02 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.40 1mdk n PHE 41 Cb 0.03 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 -1.37 -0.13 1.38 3.57 -1.60 0.37 116.94 119.16 1mdk h PHE 42 Ca 0.00 0.10 -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 -0.41 -0.28 1.25 -2.23 0.00 0.00 178.31 176.63 1mdk h HIS 43 N -0.15 0.28 -0.73 0.41 2.76 -1.69 -2.95 115.15 113.08 1mdk h HIS 43 Ca 0.21 -0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 58.28 1mdk h HIS 43 Cb 0.54 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.40 1mdk h HIS 43 CO -0.80 0.52 0.30 1.03 -1.30 0.00 0.00 177.93 177.67 1mdk h SER 44 N 0.22 1.01 0.00 3.26 0.87 -0.35 -1.74 113.55 116.82 1mdk h SER 44 Ca 0.03 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1mdk h SER 44 Cb 0.62 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1mdk h SER 44 CO 0.05 0.90 0.36 -0.07 -0.53 0.00 0.00 176.83 177.54 1mdk h LEU 45 N 1.05 0.00 -1.92 2.23 3.38 -0.82 0.13 115.31 119.37 1mdk h LEU 45 Ca 0.25 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.27 1mdk h LEU 45 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1mdk h LEU 45 CO -0.02 0.00 0.17 0.28 0.09 0.00 0.00 178.44 178.96 1mdk h SER 46 N 0.00 0.08 0.36 -0.43 0.02 -1.46 0.57 113.55 112.70 1mdk h SER 46 Ca 0.00 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1mdk h SER 46 Cb 0.72 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1mdk h SER 46 CO 0.00 0.06 -1.68 -0.62 -1.14 0.00 0.00 176.83 173.44 1mdk n GLU 47 N -4.48 0.64 0.09 3.45 1.02 0.46 -3.72 120.64 118.10 1mdk n GLU 47 Ca 0.02 -0.05 0.09 0.00 -0.02 0.00 0.00 57.16 57.21 1mdk n GLU 47 Cb 0.26 -1.64 -0.02 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 -2.49 0.61 -3.22 3.49 4.81 -0.69 -4.45 118.16 116.22 1mdk n LYS 48 Ca -0.06 0.13 -0.24 0.00 -0.87 0.00 0.00 58.31 57.27 1mdk n LYS 48 Cb 0.64 -1.81 -0.06 0.00 0.02 0.00 0.00 35.03 33.82 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 -2.70 0.81 0.58 5.64 4.01 0.19 -4.90 117.16 120.79 1mdk n TYR 49 Ca -0.02 -3.75 0.05 0.00 -0.16 0.00 0.00 57.90 54.02 1mdk n TYR 49 Cb 0.60 -0.41 0.29 0.00 -0.31 0.00 0.00 39.34 39.51 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 0.99 0.00 -0.64 7.72 3.41 -1.24 -1.07 113.62 122.79 1mdk n SER 50 Ca 0.24 -0.09 0.13 0.00 -0.26 0.00 0.00 58.87 58.89 1mdk n SER 50 Cb 0.52 -0.15 0.27 0.00 -0.26 0.00 0.00 64.21 64.59 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 2.11 -4.51 4.04 2.85 -1.26 -4.56 115.26 112.77 1mdk n ASN 51 Ca 0.06 -1.63 -0.30 0.00 -0.11 0.00 0.00 54.58 52.61 1mdk n ASN 51 Cb 0.06 0.08 -0.11 0.00 1.24 0.00 0.00 39.78 41.05 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 -2.12 2.99 -0.23 3.44 1.01 -0.23 -4.54 120.40 120.72 1mdk s VAL 52 Ca 0.30 -1.37 -0.10 0.00 0.00 0.00 0.00 61.98 60.80 1mdk s VAL 52 Cb 0.20 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1mdk s VAL 52 CO 0.37 0.15 0.16 -0.63 0.00 0.00 0.00 175.10 175.15 1mdk s ILE 53 N -1.12 5.37 -0.13 2.22 -1.09 -0.89 -3.98 121.20 121.57 1mdk s ILE 53 Ca 0.18 0.19 -0.01 0.00 -2.23 0.00 0.00 60.65 58.78 1mdk s ILE 53 Cb -0.11 -3.50 -0.02 0.00 -1.58 0.00 0.00 42.46 37.26 1mdk s ILE 53 CO 0.10 0.36 -0.10 -0.36 -1.23 0.00 0.00 174.94 173.71 1mdk s PHE 54 N 0.95 2.87 0.44 3.97 0.08 -1.00 -1.99 117.98 123.30 1mdk s PHE 54 Ca 0.08 -0.49 0.07 0.00 0.12 0.00 0.00 56.93 56.71 1mdk s PHE 54 Cb -0.13 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.43 1mdk s PHE 54 CO 0.04 -0.11 0.23 -0.51 -0.10 0.00 0.00 175.22 174.77 1mdk s LEU 55 N 0.24 3.06 -0.03 -0.37 1.02 -0.53 -1.47 118.68 120.61 1mdk s LEU 55 Ca -0.07 -1.08 -0.04 0.00 0.02 0.00 0.00 54.13 52.97 1mdk s LEU 55 Cb -0.15 -1.47 0.01 0.00 0.02 0.00 0.00 46.19 44.60 1mdk s LEU 55 CO 0.04 -0.65 0.09 -0.70 0.02 0.00 0.00 176.35 175.15 1mdk s GLU 56 N -3.99 0.19 -0.02 1.70 2.12 -0.31 -2.74 118.70 115.65 1mdk s GLU 56 Ca 0.40 -0.02 -0.01 0.00 0.36 0.00 0.00 54.97 55.69 1mdk s GLU 56 Cb 0.02 0.09 0.01 0.00 0.26 0.00 0.00 34.13 34.50 1mdk s GLU 56 CO 0.22 -0.03 0.05 0.08 -0.54 0.00 0.00 175.26 175.03 1mdk s VAL 57 N -0.33 -0.01 -0.48 3.70 1.01 -1.05 -1.38 120.40 121.87 1mdk s VAL 57 Ca -0.04 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.81 1mdk s VAL 57 Cb -0.03 -0.08 0.06 0.00 0.00 0.00 0.00 36.38 36.34 1mdk s VAL 57 CO 0.00 0.01 0.49 -0.62 0.00 0.00 0.00 175.10 174.99 1mdk s ASP 58 N 0.21 6.18 0.00 3.32 2.15 -1.26 -3.02 116.67 124.25 1mdk s ASP 58 Ca -0.02 -1.10 0.11 0.00 0.43 0.00 0.00 52.55 51.97 1mdk s ASP 58 Cb -0.02 -2.23 0.55 0.00 -0.30 0.00 0.00 42.92 40.91 1mdk s ASP 58 CO -0.01 -0.74 1.21 1.33 -0.17 0.00 0.00 175.17 176.80 1mdk n VAL 59 N 5.39 0.65 -0.11 1.11 0.24 -1.19 -0.14 118.33 124.28 1mdk n VAL 59 Ca -0.10 0.16 -0.18 0.00 -2.04 0.00 0.00 64.34 62.18 1mdk n VAL 59 Cb 0.45 -0.99 -0.10 0.00 -1.47 0.00 0.00 33.84 31.73 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 -1.25 2.10 -0.03 -1.34 8.00 -1.26 -4.25 116.55 118.51 1mdk n ASP 60 Ca 0.05 -0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.55 1mdk n ASP 60 Cb 0.08 -0.45 -0.14 0.00 -0.02 0.00 0.00 41.12 40.58 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 -3.42 0.24 -2.42 -2.24 -0.08 -1.17 -4.27 116.55 103.19 1mdk n ASP 61 Ca -0.42 0.11 -0.33 0.00 -1.51 0.00 0.00 54.79 52.64 1mdk n ASP 61 Cb 0.90 1.08 0.05 0.00 2.34 0.00 0.00 41.12 45.49 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 -2.49 5.98 0.11 -1.67 0.00 0.81 -4.73 120.51 118.52 1mdk n ALA 62 Ca -0.17 -3.79 0.05 0.00 0.00 0.00 0.00 53.44 49.53 1mdk n ALA 62 Cb 0.88 -1.40 0.27 0.00 0.00 0.00 0.00 19.45 19.21 1mdk n ALA 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1mdk n GLN 63 N -0.74 0.07 -0.11 0.00 6.02 -1.25 -0.88 117.38 120.48 1mdk n GLN 63 Ca 0.54 0.50 -0.13 0.00 -0.01 0.00 0.00 57.00 57.91 1mdk n GLN 63 Cb 0.62 -1.93 -0.03 0.00 1.02 0.00 0.00 30.24 29.92 1mdk n GLN 63 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1mdk h ASP 64 N 0.00 0.94 -0.03 1.08 2.03 -1.91 0.59 116.42 119.12 1mdk h ASP 64 Ca 0.00 -0.47 -0.04 0.00 -0.73 0.00 0.00 57.03 55.79 1mdk h ASP 64 Cb 0.43 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 1mdk h ASP 64 CO 0.00 1.22 -0.15 0.58 -1.03 0.00 0.00 179.24 179.86 1mdk h VAL 65 N 0.68 1.48 -0.63 4.15 2.07 -1.39 -1.97 116.25 120.65 1mdk h VAL 65 Ca 0.06 -1.65 -0.05 0.00 0.82 0.00 0.00 66.70 65.88 1mdk h VAL 65 Cb 0.96 2.48 -0.03 0.00 -1.52 0.00 0.00 31.29 33.18 1mdk h VAL 65 CO 0.09 0.45 0.17 0.00 0.02 0.00 0.00 177.57 178.30 1mdk h ALA 66 N 0.37 1.12 -0.47 1.67 0.00 -1.55 -1.10 119.26 119.32 1mdk h ALA 66 Ca -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1mdk h ALA 66 Cb 0.81 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1mdk h ALA 66 CO 0.03 0.60 0.14 0.77 0.00 0.00 0.00 179.25 180.79 1mdk h SER 67 N 0.93 0.69 -0.75 0.00 0.02 0.20 1.99 113.55 116.62 1mdk h SER 67 Ca 0.20 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1mdk h SER 67 Cb 0.30 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 1mdk h SER 67 CO -0.00 0.72 0.27 -0.08 -1.14 0.00 0.00 176.83 176.59 1mdk h GLU 68 N 0.63 1.14 -0.00 3.45 4.57 -1.00 -2.07 114.58 121.29 1mdk h GLU 68 Ca 0.15 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1mdk h GLU 68 Cb 0.28 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1mdk h GLU 68 CO -0.00 0.95 -0.28 0.00 -1.18 0.00 0.00 179.01 178.50 1mdk n ALA 69 N -2.43 3.10 -3.42 2.92 0.00 -0.45 -4.98 120.51 115.26 1mdk n ALA 69 Ca 0.06 -0.36 -0.15 0.00 0.00 0.00 0.00 53.44 52.99 1mdk n ALA 69 Cb 0.20 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.93 -1.56 -2.69 0.00 1.02 0.67 -4.90 120.64 112.25 1mdk n GLU 70 Ca 0.11 1.21 -0.41 0.00 -0.02 0.00 0.00 57.16 58.05 1mdk n GLU 70 Cb 0.33 -3.84 -0.05 0.00 -0.02 0.00 0.00 31.44 27.87 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 -2.82 4.32 -0.24 2.62 1.01 -0.95 -4.93 120.40 119.41 1mdk s VAL 71 Ca 0.06 1.98 0.07 0.00 0.00 0.00 0.00 61.98 64.09 1mdk s VAL 71 Cb -0.01 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 32.02 1mdk s VAL 71 CO 0.83 0.33 0.25 0.29 0.00 0.00 0.00 175.10 176.80 1mdk n LYS 72 N 2.55 3.62 -3.69 2.72 4.01 -1.26 -5.01 118.16 121.09 1mdk n LYS 72 Ca 0.02 -0.02 -0.12 0.00 -0.51 0.00 0.00 58.31 57.68 1mdk n LYS 72 Cb 0.48 -0.91 -0.09 0.00 -0.51 0.00 0.00 35.03 34.01 1mdk n LYS 72 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1mdk s ALA 73 N -1.85 -1.33 0.13 7.82 0.00 -1.26 -5.17 121.76 120.11 1mdk s ALA 73 Ca 0.01 1.59 0.09 0.00 0.00 0.00 0.00 51.96 53.65 1mdk s ALA 73 Cb 0.05 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 1mdk s ALA 73 CO 0.28 -0.26 -0.15 0.95 0.00 0.00 0.00 175.76 176.57 1mdk s THR 74 N 0.56 2.96 0.42 0.00 -4.23 -1.26 -3.77 115.64 110.33 1mdk s THR 74 Ca -0.02 -1.54 -0.23 0.00 -1.18 0.00 0.00 61.69 58.72 1mdk s THR 74 Cb -0.04 -2.39 -0.09 0.00 1.34 0.00 0.00 72.50 71.31 1mdk s THR 74 CO -0.03 0.04 1.03 -2.16 -0.54 0.00 0.00 174.62 172.96 1mdk s PRO 75 N -2.34 4.09 -0.26 3.99 0.04 -1.26 -4.78 135.00 134.48 1mdk s PRO 75 Ca 0.20 1.43 -0.01 0.00 0.04 0.00 0.00 61.00 62.67 1mdk s PRO 75 Cb -0.10 -2.40 0.04 0.00 0.04 0.00 0.00 34.50 32.07 1mdk s PRO 75 CO 0.12 -0.19 -0.06 0.99 0.04 0.00 0.00 177.00 177.89 1mdk s THR 76 N -1.78 2.75 -0.17 1.26 2.01 -1.04 -3.04 115.64 115.62 1mdk s THR 76 Ca 0.60 -1.21 -0.21 0.00 0.31 0.00 0.00 61.69 61.19 1mdk s THR 76 Cb -0.19 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.82 1mdk s THR 76 CO 0.24 0.10 0.62 -0.36 -0.69 0.00 0.00 174.62 174.54 1mdk s PHE 77 N 1.27 3.42 -0.04 4.92 0.08 -0.51 -2.37 117.98 124.74 1mdk s PHE 77 Ca -0.02 0.96 0.06 0.00 0.12 0.00 0.00 56.93 58.05 1mdk s PHE 77 Cb -0.18 -2.77 -0.01 0.00 -0.57 0.00 0.00 43.02 39.49 1mdk s PHE 77 CO -0.04 -0.10 -0.22 -0.65 -0.10 0.00 0.00 175.22 174.11 1mdk s GLN 78 N 1.61 2.16 -0.15 0.44 -0.21 -1.04 -0.38 119.66 122.10 1mdk s GLN 78 Ca 0.30 -0.81 -0.03 0.00 0.02 0.00 0.00 55.36 54.84 1mdk s GLN 78 Cb -0.16 -1.90 -0.03 0.00 1.00 0.00 0.00 33.01 31.92 1mdk s GLN 78 CO 0.11 0.38 -0.05 -0.06 -2.12 0.00 0.00 175.29 173.55 1mdk s PHE 79 N -0.23 2.99 0.15 0.91 0.40 -0.17 -0.53 117.98 121.50 1mdk s PHE 79 Ca 0.00 -0.35 0.06 0.00 -0.60 0.00 0.00 56.93 56.05 1mdk s PHE 79 Cb -0.12 -1.93 -0.04 0.00 0.51 0.00 0.00 43.02 41.44 1mdk s PHE 79 CO 0.02 -0.05 -0.13 -0.06 0.70 0.00 0.00 175.22 175.69 1mdk s PHE 80 N 0.33 1.47 -0.24 0.36 0.08 0.36 -2.34 117.98 118.01 1mdk s PHE 80 Ca -0.05 -0.60 -0.09 0.00 0.12 0.00 0.00 56.93 56.30 1mdk s PHE 80 Cb -0.14 -0.74 0.10 0.00 -0.57 0.00 0.00 43.02 41.67 1mdk s PHE 80 CO 0.03 0.19 0.52 0.21 -0.10 0.00 0.00 175.22 176.08 1mdk s LYS 81 N -3.17 0.46 -1.72 0.44 2.20 0.17 -2.09 119.74 116.04 1mdk s LYS 81 Ca 0.14 1.16 0.00 0.00 -0.36 0.00 0.00 55.97 56.91 1mdk s LYS 81 Cb -0.02 0.43 0.00 0.00 -1.51 0.00 0.00 37.83 36.73 1mdk s LYS 81 CO 0.04 -0.21 0.00 1.63 -0.36 0.00 0.00 175.35 176.45 1mdk n LYS 82 N 5.12 -1.52 -0.49 4.03 5.02 -1.26 0.21 118.16 129.27 1mdk n LYS 82 Ca -0.13 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 1mdk n LYS 82 Cb 0.51 -5.36 0.00 0.00 -0.02 0.00 0.00 35.03 30.17 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 -0.47 0.75 3.60 0.72 0.00 -1.26 -4.99 105.19 103.53 1mdk n GLY 83 Ca -0.18 0.00 -0.32 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 -0.51 2.52 0.13 1.61 -0.21 0.13 -5.11 119.66 118.22 1mdk s GLN 84 Ca 0.00 -0.75 -0.24 0.00 0.02 0.00 0.00 55.36 54.39 1mdk s GLN 84 Cb 0.00 -2.49 -0.07 0.00 1.00 0.00 0.00 33.01 31.45 1mdk s GLN 84 CO 0.00 0.59 0.72 0.21 -2.12 0.00 0.00 175.29 174.69 1mdk s LYS 85 N -1.53 4.47 0.00 2.91 2.20 -1.26 0.41 119.74 126.95 1mdk s LYS 85 Ca 0.18 1.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.83 1mdk s LYS 85 Cb -0.11 -3.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 1mdk s LYS 85 CO 0.09 0.57 0.00 1.33 -0.36 0.00 0.00 175.35 176.97 1mdk n VAL 86 N 1.72 0.00 -3.72 4.02 0.24 -0.99 -4.93 118.33 114.68 1mdk n VAL 86 Ca -0.07 -0.06 0.02 0.00 -2.04 0.00 0.00 64.34 62.19 1mdk n VAL 86 Cb 0.49 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 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 -1.17 -0.33 -0.22 7.63 0.00 -1.25 -5.03 107.32 106.95 1mdk s GLY 87 Ca 0.00 0.51 -0.30 0.00 0.00 0.00 0.00 44.72 44.94 1mdk s GLY 87 CO 0.00 1.61 1.19 -1.83 0.00 0.00 0.00 173.10 174.07 1mdk s GLU 88 N -2.29 0.31 -0.29 2.90 -1.05 -1.26 -1.00 118.70 116.02 1mdk s GLU 88 Ca 0.18 0.06 -0.18 0.00 -0.15 0.00 0.00 54.97 54.89 1mdk s GLU 88 Cb 0.03 0.15 0.14 0.00 -0.44 0.00 0.00 34.13 34.01 1mdk s GLU 88 CO -0.03 -0.10 0.99 -0.59 0.95 0.00 0.00 175.26 176.48 1mdk s PHE 89 N -1.13 -0.55 0.00 4.83 -0.12 0.49 -5.00 117.98 116.51 1mdk s PHE 89 Ca 0.04 1.15 0.00 0.00 -0.05 0.00 0.00 56.93 58.07 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 -0.27 0.00 -1.13 -0.05 0.00 0.00 175.22 173.73 1mdk n SER 90 N 3.33 0.20 -0.09 1.98 3.41 -1.26 -1.43 113.62 119.75 1mdk n SER 90 Ca -0.17 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 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 -3.40 3.54 5.00 0.00 -1.17 -4.66 105.19 109.50 1mdk n GLY 91 Ca 0.00 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.43 0.57 -3.34 4.61 0.00 -1.26 -4.76 120.51 115.90 1mdk n ALA 92 Ca 0.00 -1.09 -0.26 0.00 0.00 0.00 0.00 53.44 52.09 1mdk n ALA 92 Cb 0.00 -3.05 -0.09 0.00 0.00 0.00 0.00 19.45 16.32 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 15.27 0.16 -0.25 0.00 2.85 -1.26 -4.97 115.26 127.06 1mdk n ASN 93 Ca 0.49 -2.60 -0.05 0.00 -0.11 0.00 0.00 54.58 52.31 1mdk n ASN 93 Cb 0.38 -0.60 0.09 0.00 1.24 0.00 0.00 39.78 40.89 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 4.89 1.12 0.00 1.20 2.10 -1.97 -2.34 116.57 121.57 1mdk h LYS 94 Ca 0.18 -0.22 -0.03 0.00 -2.00 0.00 0.00 60.65 58.59 1mdk h LYS 94 Cb 0.88 -0.17 -0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1mdk h LYS 94 CO 0.45 0.93 -0.14 0.93 -2.00 0.00 0.00 179.45 179.62 1mdk h GLU 95 N 1.08 0.00 -0.23 0.07 5.08 -2.00 -2.11 114.58 116.47 1mdk h GLU 95 Ca 0.24 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.49 1mdk h GLU 95 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1mdk h GLU 95 CO -0.01 0.14 -0.32 -0.22 -1.00 0.00 0.00 179.01 177.59 1mdk h LYS 96 N 0.00 0.48 -0.81 2.33 3.64 -1.84 -2.57 116.57 117.80 1mdk h LYS 96 Ca -0.00 -0.21 0.13 0.00 -1.27 0.00 0.00 60.65 59.30 1mdk h LYS 96 Cb 0.33 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 1mdk h LYS 96 CO 0.02 0.75 0.53 -0.07 -2.27 0.00 0.00 179.45 178.41 1mdk h LEU 97 N 0.42 0.56 0.59 5.20 3.38 -1.38 0.30 115.31 124.38 1mdk h LEU 97 Ca 0.05 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1mdk h LEU 97 Cb 0.76 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.43 1mdk h LEU 97 CO 0.06 0.30 -0.28 -0.08 0.09 0.00 0.00 178.44 178.53 1mdk h GLU 98 N 0.60 -0.76 -0.82 1.13 4.57 -1.55 -0.26 114.58 117.49 1mdk h GLU 98 Ca 0.40 0.05 0.02 0.00 -1.18 0.00 0.00 59.36 58.65 1mdk h GLU 98 Cb 0.69 0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 29.41 1mdk h GLU 98 CO -0.16 -0.45 0.54 0.00 -1.18 0.00 0.00 179.01 177.76 1mdk h ALA 99 N -0.88 1.06 -0.27 2.92 0.00 -1.36 -1.48 119.26 119.23 1mdk h ALA 99 Ca -0.08 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1mdk h ALA 99 Cb 0.66 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1mdk h ALA 99 CO 0.13 0.41 0.02 1.15 0.00 0.00 0.00 179.25 180.96 1mdk h THR 100 N 1.08 1.25 0.37 0.00 2.02 -0.42 -1.27 112.91 115.93 1mdk h THR 100 Ca 0.31 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 1mdk h THR 100 Cb -0.07 1.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1mdk h THR 100 CO -0.08 0.28 -0.20 0.40 0.37 0.00 0.00 175.52 176.28 1mdk h ILE 101 N 0.27 0.59 0.00 3.11 2.04 -0.78 -0.67 117.51 122.06 1mdk h ILE 101 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1mdk h ILE 101 Cb 0.39 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1mdk h ILE 101 CO 0.01 0.00 0.00 -1.13 0.00 0.00 0.00 178.15 177.03 1mdk h ASN 102 N -0.53 0.00 0.20 1.72 -0.73 -1.24 -0.06 115.58 114.94 1mdk h ASN 102 Ca -0.04 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.12 1mdk h ASN 102 Cb 0.42 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.01 1mdk h ASN 102 CO 0.06 0.00 -0.10 -0.08 -0.37 0.00 0.00 177.43 176.95 1mdk h GLU 103 N 0.00 -0.26 -0.75 6.67 4.57 0.10 -3.32 114.58 121.58 1mdk h GLU 103 Ca 0.00 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1mdk h GLU 103 Cb 0.03 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1mdk h GLU 103 CO 0.00 -0.18 0.03 1.28 -1.18 0.00 0.00 179.01 178.96 1mdk n LEU 104 N -4.89 4.13 0.00 1.64 4.77 -0.85 -5.10 117.00 116.69 1mdk n LEU 104 Ca -0.03 -2.10 0.04 0.00 -0.03 0.00 0.00 56.01 53.89 1mdk n LEU 104 Cb 0.11 -0.63 0.24 0.00 -2.33 0.00 0.00 43.42 40.81 1mdk n LEU 104 CO 0.08 0.52 0.47 0.55 -1.33 0.00 0.00 177.39 177.68