#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 5.12 -0.22 2.03 1.01 -1.26 -0.82 120.40 126.26 1mdk s VAL 2 Ca 0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 1mdk s VAL 2 Cb 0.00 -3.71 0.09 0.00 0.00 0.00 0.00 36.38 32.76 1mdk s VAL 2 CO 0.00 -0.19 0.50 -0.75 0.00 0.00 0.00 175.10 174.66 1mdk s LYS 3 N -3.28 0.43 0.01 2.72 2.20 -0.38 -4.93 119.74 116.50 1mdk s LYS 3 Ca 0.41 1.11 -0.20 0.00 -0.36 0.00 0.00 55.97 56.94 1mdk s LYS 3 Cb -0.11 0.38 -0.06 0.00 -1.51 0.00 0.00 37.83 36.54 1mdk s LYS 3 CO 0.28 -0.21 0.58 -1.14 -0.36 0.00 0.00 175.35 174.50 1mdk s GLN 4 N 2.39 4.28 -0.22 4.03 0.74 -1.26 -1.94 119.66 127.67 1mdk s GLN 4 Ca -0.05 0.71 -0.07 0.00 0.05 0.00 0.00 55.36 56.00 1mdk s GLN 4 Cb -0.11 -3.32 -0.03 0.00 1.10 0.00 0.00 33.01 30.65 1mdk s GLN 4 CO -0.15 0.43 0.06 0.42 -0.55 0.00 0.00 175.29 175.49 1mdk s ILE 5 N -0.38 4.35 -0.30 -2.34 -1.09 -0.89 -4.92 121.20 115.64 1mdk s ILE 5 Ca 0.30 -0.17 0.13 0.00 -2.23 0.00 0.00 60.65 58.68 1mdk s ILE 5 Cb -0.18 -3.01 -0.17 0.00 -1.58 0.00 0.00 42.46 37.52 1mdk s ILE 5 CO 0.17 0.38 0.41 -0.62 -1.23 0.00 0.00 174.94 174.05 1mdk n GLU 6 N 4.48 1.54 -3.68 2.79 4.71 -1.26 -4.47 120.64 124.75 1mdk n GLU 6 Ca -0.16 -0.06 -0.10 0.00 -0.01 0.00 0.00 57.16 56.82 1mdk n GLU 6 Cb 0.52 -1.21 -0.05 0.00 -1.01 0.00 0.00 31.44 29.68 1mdk n GLU 6 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1mdk s SER 7 N -2.89 -0.17 0.51 1.62 1.04 -1.26 -4.71 113.70 107.84 1mdk s SER 7 Ca -0.00 -0.34 0.27 0.00 0.48 0.00 0.00 55.95 56.36 1mdk s SER 7 Cb 0.09 0.44 1.39 0.00 0.10 0.00 0.00 66.02 68.04 1mdk s SER 7 CO 0.54 -0.80 1.92 0.50 0.98 0.00 0.00 173.24 176.38 1mdk h LYS 8 N 2.54 0.07 -0.59 4.02 3.64 -1.94 0.18 116.57 124.50 1mdk h LYS 8 Ca -0.34 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.05 1mdk h LYS 8 Cb 1.24 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 1mdk h LYS 8 CO 0.48 0.05 0.38 1.15 -2.27 0.00 0.00 179.45 179.24 1mdk h THR 9 N 0.07 1.12 0.00 1.00 2.02 -2.01 -1.62 112.91 113.49 1mdk h THR 9 Ca 0.38 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 67.22 1mdk h THR 9 Cb 1.41 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1mdk h THR 9 CO -0.03 0.14 -0.37 0.00 0.37 0.00 0.00 175.52 175.63 1mdk h ALA 10 N 1.23 1.11 0.10 6.16 0.00 -1.37 -2.80 119.26 123.69 1mdk h ALA 10 Ca 0.22 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1mdk h ALA 10 Cb -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1mdk h ALA 10 CO -0.07 0.46 -0.05 0.35 0.00 0.00 0.00 179.25 179.95 1mdk h PHE 11 N 0.00 -0.13 -0.85 0.00 3.57 -0.94 0.22 116.94 118.81 1mdk h PHE 11 Ca -0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 1mdk h PHE 11 Cb 0.79 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.50 1mdk h PHE 11 CO 0.00 -0.08 0.50 1.96 -2.23 0.00 0.00 178.31 178.46 1mdk h GLN 12 N -0.13 0.81 -0.73 1.11 4.20 -1.62 0.14 115.11 118.89 1mdk h GLN 12 Ca -0.01 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.68 1mdk h GLN 12 Cb 0.10 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.66 1mdk h GLN 12 CO 0.02 0.53 0.48 0.93 -0.67 0.00 0.00 178.83 180.12 1mdk h GLU 13 N 0.83 0.87 -0.44 1.46 5.08 -1.41 -0.58 114.58 120.39 1mdk h GLU 13 Ca 0.41 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1mdk h GLU 13 Cb 0.36 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1mdk h GLU 13 CO -0.24 0.58 0.26 0.00 -1.00 0.00 0.00 179.01 178.61 1mdk h ALA 14 N 1.57 0.56 -0.16 3.43 0.00 0.15 0.31 119.26 125.13 1mdk h ALA 14 Ca 0.29 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1mdk h ALA 14 Cb 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1mdk h ALA 14 CO -0.08 0.06 0.04 -0.07 0.00 0.00 0.00 179.25 179.20 1mdk h LEU 15 N 0.59 0.24 -0.94 0.00 3.38 -1.00 0.42 115.31 118.00 1mdk h LEU 15 Ca 0.16 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1mdk h LEU 15 Cb 0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1mdk h LEU 15 CO -0.03 0.41 0.14 -0.78 0.09 0.00 0.00 178.44 178.27 1mdk h ASP 16 N 0.06 0.85 1.61 -0.43 3.58 -0.91 -2.01 116.42 119.18 1mdk h ASP 16 Ca 0.05 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1mdk h ASP 16 Cb 0.26 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.09 1mdk h ASP 16 CO 0.00 0.84 -0.04 0.00 -2.88 0.00 0.00 179.24 177.15 1mdk h ALA 17 N 1.27 0.97 0.00 -0.78 0.00 -0.18 -3.14 119.26 117.40 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 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 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 -1.89 1.72 -0.40 0.00 0.00 0.15 -4.93 120.51 115.15 1mdk n ALA 18 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1mdk n ALA 18 Cb 0.46 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.13 1.69 0.00 0.00 0.00 -1.19 -3.14 105.19 102.42 1mdk n GLY 19 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 10.62 0.10 -4.69 1.61 9.92 -1.26 -4.51 116.55 128.33 1mdk n ASP 20 Ca 0.00 -1.03 -0.29 0.00 -0.53 0.00 0.00 54.79 52.94 1mdk n ASP 20 Cb 0.00 0.00 0.16 0.00 -0.64 0.00 0.00 41.12 40.64 1mdk n ASP 20 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1mdk s LYS 21 N -0.03 0.73 0.95 -1.24 1.02 -1.19 -4.76 119.74 115.22 1mdk s LYS 21 Ca 0.00 0.60 -0.11 0.00 0.02 0.00 0.00 55.97 56.48 1mdk s LYS 21 Cb 0.00 -1.76 0.16 0.00 -0.52 0.00 0.00 37.83 35.71 1mdk s LYS 21 CO 0.00 -2.55 1.10 -1.17 -0.92 0.00 0.00 175.35 171.81 1mdk s LEU 22 N -6.36 2.23 -0.24 3.17 0.20 -1.26 -4.69 118.68 111.73 1mdk s LEU 22 Ca 0.65 1.79 -0.03 0.00 0.69 0.00 0.00 54.13 57.23 1mdk s LEU 22 Cb -0.18 -4.11 0.11 0.00 -0.43 0.00 0.00 46.19 41.58 1mdk s LEU 22 CO 0.57 -3.11 0.24 -0.69 -0.29 0.00 0.00 176.35 173.07 1mdk s VAL 23 N -2.72 -0.32 -0.17 1.68 1.01 -0.83 -2.18 120.40 116.87 1mdk s VAL 23 Ca 0.66 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 62.25 1mdk s VAL 23 Cb -0.21 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1mdk s VAL 23 CO 0.59 -0.35 0.11 -0.69 0.00 0.00 0.00 175.10 174.76 1mdk s VAL 24 N 2.31 5.24 -0.11 2.92 1.01 -0.69 -0.48 120.40 130.61 1mdk s VAL 24 Ca 0.08 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 1mdk s VAL 24 Cb -0.15 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1mdk s VAL 24 CO -0.22 0.51 -0.07 -0.69 0.00 0.00 0.00 175.10 174.63 1mdk s VAL 25 N -0.11 3.67 -0.47 2.92 1.01 0.45 -1.09 120.40 126.79 1mdk s VAL 25 Ca 0.09 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 1mdk s VAL 25 Cb -0.12 -2.55 0.11 0.00 0.00 0.00 0.00 36.38 33.83 1mdk s VAL 25 CO 0.00 0.55 0.34 -0.62 0.00 0.00 0.00 175.10 175.38 1mdk s ASP 26 N -0.18 5.76 -1.25 3.32 2.15 -1.06 -2.57 116.67 122.84 1mdk s ASP 26 Ca 0.02 -1.78 -0.15 0.00 0.43 0.00 0.00 52.55 51.07 1mdk s ASP 26 Cb -0.13 -2.04 0.13 0.00 -0.30 0.00 0.00 42.92 40.59 1mdk s ASP 26 CO 0.03 -0.67 1.58 0.49 -0.17 0.00 0.00 175.17 176.43 1mdk n PHE 27 N 4.96 4.73 -4.32 -5.34 3.01 -1.09 -2.31 117.46 117.10 1mdk n PHE 27 Ca -0.09 -3.15 -0.30 0.00 1.01 0.00 0.00 57.45 54.92 1mdk n PHE 27 Cb 0.41 -2.34 -0.10 0.00 -0.01 0.00 0.00 39.48 37.44 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 3.20 4.29 -0.19 4.37 0.01 -1.19 -3.08 113.70 121.12 1mdk s SER 28 Ca 0.47 -0.38 -0.19 0.00 1.31 0.00 0.00 55.95 57.15 1mdk s SER 28 Cb 0.01 -0.81 -0.03 0.00 0.21 0.00 0.00 66.02 65.40 1mdk s SER 28 CO 0.03 0.20 0.56 0.00 0.41 0.00 0.00 173.24 174.44 1mdk s ALA 29 N -1.14 3.54 0.40 1.44 0.00 -1.26 -4.33 121.76 120.40 1mdk s ALA 29 Ca 0.20 -0.34 0.32 0.00 0.00 0.00 0.00 51.96 52.14 1mdk s ALA 29 Cb -0.11 -2.87 1.61 0.00 0.00 0.00 0.00 23.12 21.75 1mdk s ALA 29 CO 0.11 -0.46 2.11 0.00 0.00 0.00 0.00 175.76 177.52 1mdk h THR 30 N 5.12 0.37 0.00 0.00 1.03 -1.99 -2.00 112.91 115.44 1mdk h THR 30 Ca -0.33 -0.44 0.00 0.00 -0.01 0.00 0.00 66.41 65.63 1mdk h THR 30 Cb 1.15 1.31 0.00 0.00 -1.07 0.00 0.00 68.15 69.55 1mdk h THR 30 CO 0.75 0.08 -0.65 -2.67 -0.01 0.00 0.00 175.52 173.01 1mdk n TRP 31 N -3.45 0.33 -3.51 0.00 4.27 -1.26 -4.86 117.44 108.96 1mdk n TRP 31 Ca -0.02 0.10 -0.38 0.00 -3.89 0.00 0.00 57.50 53.31 1mdk n TRP 31 Cb 0.22 -0.49 -0.06 0.00 -1.36 0.00 0.00 31.31 29.62 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 5.17 -0.19 -0.39 0.00 0.00 -1.89 -2.81 103.07 102.96 1mdk h GLY 33 Ca -0.50 0.07 0.24 0.00 0.00 0.00 0.00 47.33 47.15 1mdk h GLY 33 CO 0.64 -0.07 0.32 -2.55 0.00 0.00 0.00 176.54 174.89 1mdk h PRO 34 N -1.04 0.27 0.14 4.80 0.11 -1.95 1.60 132.00 135.93 1mdk h PRO 34 Ca -0.02 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1mdk h PRO 34 Cb 0.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1mdk h PRO 34 CO 0.03 0.18 -0.07 0.00 -0.21 0.00 0.00 178.00 177.93 1mdk h ALA 35 N 1.77 -0.18 0.00 -0.75 0.00 -1.86 -3.18 119.26 115.06 1mdk h ALA 35 Ca 0.58 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1mdk h ALA 35 Cb 1.17 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1mdk h ALA 35 CO -0.61 -0.23 -0.00 -0.22 0.00 0.00 0.00 179.25 178.18 1mdk h LYS 36 N -0.93 0.00 -0.00 0.00 3.64 -1.08 -1.98 116.57 116.22 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 0.50 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1mdk h LYS 36 CO 0.03 0.00 0.01 1.98 -2.27 0.00 0.00 179.45 179.20 1mdk h MET 37 N 0.00 0.00 -0.65 1.90 4.05 0.23 -1.36 114.93 119.10 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 -3.15 1.06 0.02 1.77 5.41 -0.74 -4.44 119.36 119.29 1mdk n ILE 38 Ca -0.03 -0.92 -0.00 0.00 1.00 0.00 0.00 62.75 62.80 1mdk n ILE 38 Cb 0.08 0.35 0.29 0.00 -0.71 0.00 0.00 39.64 39.65 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 3.79 0.47 0.00 0.38 2.10 -1.43 -2.58 116.57 119.30 1mdk h LYS 39 Ca 0.00 -0.12 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1mdk h LYS 39 Cb 0.99 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.26 1mdk h LYS 39 CO 0.05 0.56 0.00 -2.30 -2.00 0.00 0.00 179.45 175.76 1mdk n PRO 40 N -4.24 0.06 -0.01 0.07 -0.02 -1.26 -2.17 135.00 127.42 1mdk n PRO 40 Ca 0.01 0.49 -0.01 0.00 -2.02 0.00 0.00 63.50 61.97 1mdk n PRO 40 Cb 0.28 -1.67 -0.00 0.00 -0.02 0.00 0.00 33.50 32.09 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 -1.79 0.00 -0.24 6.00 3.01 -0.99 -3.68 117.46 119.77 1mdk n PHE 41 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.46 1mdk n PHE 41 Cb 0.06 -0.07 0.06 0.00 -0.01 0.00 0.00 39.48 39.51 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 -0.15 -0.56 -0.21 1.38 3.57 -1.58 0.23 116.94 119.61 1mdk h PHE 42 Ca 0.00 0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 1mdk h PHE 42 Cb 0.15 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1mdk h PHE 42 CO -0.06 -0.34 -0.37 1.25 -2.23 0.00 0.00 178.31 176.56 1mdk h HIS 43 N -0.05 0.54 -0.86 0.41 2.76 -1.70 -3.08 115.15 113.18 1mdk h HIS 43 Ca 0.31 -0.14 -0.00 0.00 -2.20 0.00 0.00 60.37 58.34 1mdk h HIS 43 Cb 0.54 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 29.34 1mdk h HIS 43 CO -0.61 0.77 0.53 0.77 -1.30 0.00 0.00 177.93 178.09 1mdk h SER 44 N 0.39 1.02 0.00 3.26 0.02 -0.68 -1.04 113.55 116.52 1mdk h SER 44 Ca 0.04 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1mdk h SER 44 Cb 0.82 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1mdk h SER 44 CO 0.07 0.78 0.34 -0.07 -1.14 0.00 0.00 176.83 176.80 1mdk h LEU 45 N 1.17 0.00 -1.83 5.07 3.38 -1.12 0.48 115.31 122.45 1mdk h LEU 45 Ca 0.31 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.33 1mdk h LEU 45 Cb -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1mdk h LEU 45 CO -0.06 0.00 0.22 0.28 0.09 0.00 0.00 178.44 178.97 1mdk h SER 46 N 0.00 0.18 0.50 -0.43 0.02 -1.34 0.49 113.55 112.97 1mdk h SER 46 Ca 0.00 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1mdk h SER 46 Cb 0.67 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 1mdk h SER 46 CO 0.00 0.12 -1.53 -0.62 -1.14 0.00 0.00 176.83 173.67 1mdk n GLU 47 N -4.48 0.63 0.08 3.45 1.02 0.16 -3.70 120.64 117.80 1mdk n GLU 47 Ca 0.04 -0.02 0.08 0.00 -0.02 0.00 0.00 57.16 57.24 1mdk n GLU 47 Cb 0.25 -1.68 -0.03 0.00 -0.02 0.00 0.00 31.44 29.96 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 -2.51 0.61 -3.24 3.49 4.81 -0.73 -4.46 118.16 116.13 1mdk n LYS 48 Ca -0.04 0.14 -0.24 0.00 -0.87 0.00 0.00 58.31 57.30 1mdk n LYS 48 Cb 0.60 -1.82 -0.07 0.00 0.02 0.00 0.00 35.03 33.77 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 -2.72 0.97 0.54 5.64 4.01 0.16 -4.89 117.16 120.87 1mdk n TYR 49 Ca -0.03 -3.77 0.06 0.00 -0.16 0.00 0.00 57.90 54.00 1mdk n TYR 49 Cb 0.63 -0.42 0.29 0.00 -0.31 0.00 0.00 39.34 39.52 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 1.07 0.00 -0.89 7.72 3.41 -1.24 -1.29 113.62 122.39 1mdk n SER 50 Ca 0.24 0.11 0.12 0.00 -0.26 0.00 0.00 58.87 59.08 1mdk n SER 50 Cb 0.50 -0.28 0.27 0.00 -0.26 0.00 0.00 64.21 64.45 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 -1.28 2.69 -4.42 4.04 2.85 -1.26 -4.39 115.26 113.49 1mdk n ASN 51 Ca 0.05 -1.88 -0.29 0.00 -0.11 0.00 0.00 54.58 52.36 1mdk n ASN 51 Cb 0.09 -0.16 -0.13 0.00 1.24 0.00 0.00 39.78 40.82 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 -1.68 2.45 -0.20 3.44 1.01 -0.41 -4.54 120.40 120.46 1mdk s VAL 52 Ca 0.35 -1.66 -0.09 0.00 0.00 0.00 0.00 61.98 60.59 1mdk s VAL 52 Cb 0.20 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1mdk s VAL 52 CO 0.30 0.11 0.10 -0.63 0.00 0.00 0.00 175.10 174.97 1mdk s ILE 53 N -1.08 5.07 -0.11 2.22 -1.09 -0.93 -1.43 121.20 123.86 1mdk s ILE 53 Ca 0.15 0.07 0.01 0.00 -2.23 0.00 0.00 60.65 58.66 1mdk s ILE 53 Cb -0.10 -3.31 -0.01 0.00 -1.58 0.00 0.00 42.46 37.45 1mdk s ILE 53 CO 0.07 0.43 -0.15 -0.36 -1.23 0.00 0.00 174.94 173.70 1mdk s PHE 54 N 0.55 2.75 0.47 3.97 0.08 0.00 -1.70 117.98 124.09 1mdk s PHE 54 Ca 0.06 -0.60 0.05 0.00 0.12 0.00 0.00 56.93 56.56 1mdk s PHE 54 Cb -0.12 -1.78 -0.03 0.00 -0.57 0.00 0.00 43.02 40.52 1mdk s PHE 54 CO 0.00 -0.16 0.17 -0.51 -0.10 0.00 0.00 175.22 174.62 1mdk s LEU 55 N 0.13 2.81 -0.02 -0.37 1.02 -0.25 -1.25 118.68 120.75 1mdk s LEU 55 Ca -0.08 -1.28 -0.05 0.00 0.02 0.00 0.00 54.13 52.74 1mdk s LEU 55 Cb -0.15 -1.17 0.01 0.00 0.02 0.00 0.00 46.19 44.90 1mdk s LEU 55 CO 0.05 -0.73 0.12 -0.70 0.02 0.00 0.00 176.35 175.11 1mdk s GLU 56 N -3.97 0.30 -0.02 1.70 2.12 -0.82 -2.56 118.70 115.46 1mdk s GLU 56 Ca 0.31 -0.12 -0.02 0.00 0.36 0.00 0.00 54.97 55.50 1mdk s GLU 56 Cb 0.03 0.13 0.01 0.00 0.26 0.00 0.00 34.13 34.55 1mdk s GLU 56 CO 0.17 -0.06 0.06 0.08 -0.54 0.00 0.00 175.26 174.97 1mdk s VAL 57 N -0.65 -0.00 -0.54 3.70 1.01 -0.98 -2.10 120.40 120.84 1mdk s VAL 57 Ca -0.07 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.75 1mdk s VAL 57 Cb -0.04 -0.09 0.12 0.00 0.00 0.00 0.00 36.38 36.37 1mdk s VAL 57 CO 0.01 0.00 0.52 -0.62 0.00 0.00 0.00 175.10 175.01 1mdk s ASP 58 N 0.07 6.19 0.00 3.32 -1.08 -1.26 -3.17 116.67 120.73 1mdk s ASP 58 Ca -0.00 -1.70 0.01 0.00 -0.52 0.00 0.00 52.55 50.34 1mdk s ASP 58 Cb -0.01 -2.22 0.06 0.00 -1.46 0.00 0.00 42.92 39.29 1mdk s ASP 58 CO -0.00 -0.88 0.64 1.33 0.52 0.00 0.00 175.17 176.78 1mdk n VAL 59 N 5.29 0.34 -0.04 1.11 0.24 -1.26 -0.59 118.33 123.42 1mdk n VAL 59 Ca -0.13 0.09 -0.06 0.00 -2.04 0.00 0.00 64.34 62.19 1mdk n VAL 59 Cb 0.41 -1.07 -0.04 0.00 -1.47 0.00 0.00 33.84 31.67 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 -1.09 3.03 0.02 -1.34 8.00 -1.26 -4.43 116.55 119.47 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 -0.15 0.08 0.00 -0.02 0.00 0.00 41.12 41.04 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 -2.82 0.63 -2.55 -2.24 2.03 -1.09 -4.22 116.55 106.29 1mdk n ASP 61 Ca -0.15 -0.25 -0.22 0.00 0.52 0.00 0.00 54.79 54.68 1mdk n ASP 61 Cb 0.65 0.61 0.01 0.00 -0.72 0.00 0.00 41.12 41.67 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 -1.72 4.60 0.18 -1.67 0.00 0.24 -4.85 120.51 117.30 1mdk n ALA 62 Ca 0.03 -4.03 0.09 0.00 0.00 0.00 0.00 53.44 49.53 1mdk n ALA 62 Cb 0.40 -0.65 0.48 0.00 0.00 0.00 0.00 19.45 19.68 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 2.70 0.00 -0.33 0.00 4.20 -1.73 0.25 115.11 120.20 1mdk h GLN 63 Ca 0.19 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.73 1mdk h GLN 63 Cb 0.97 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.75 1mdk h GLN 63 CO 0.76 0.00 -0.48 0.38 -0.67 0.00 0.00 178.83 178.82 1mdk h ASP 64 N 0.00 0.99 -0.03 1.46 3.04 -1.92 0.32 116.42 120.28 1mdk h ASP 64 Ca 0.00 -0.50 -0.06 0.00 -3.24 0.00 0.00 57.03 53.24 1mdk h ASP 64 Cb 0.39 -0.28 0.00 0.00 -1.04 0.00 0.00 39.33 38.40 1mdk h ASP 64 CO 0.00 1.30 -0.20 0.58 -2.04 0.00 0.00 179.24 178.87 1mdk h VAL 65 N 0.71 1.48 -0.49 4.15 2.07 -1.32 -2.37 116.25 120.48 1mdk h VAL 65 Ca 0.03 -1.71 -0.05 0.00 0.82 0.00 0.00 66.70 65.80 1mdk h VAL 65 Cb 1.08 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 33.32 1mdk h VAL 65 CO 0.11 0.47 0.12 0.00 0.02 0.00 0.00 177.57 178.29 1mdk h ALA 66 N 0.37 1.29 -0.41 1.67 0.00 -1.54 -0.81 119.26 119.83 1mdk h ALA 66 Ca -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1mdk h ALA 66 Cb 0.88 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1mdk h ALA 66 CO 0.04 0.50 0.16 0.77 0.00 0.00 0.00 179.25 180.72 1mdk h SER 67 N 0.72 0.57 -0.46 0.00 0.02 -0.34 1.60 113.55 115.66 1mdk h SER 67 Ca 0.16 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1mdk h SER 67 Cb 0.27 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1mdk h SER 67 CO -0.00 0.59 0.17 -0.08 -1.14 0.00 0.00 176.83 176.36 1mdk h GLU 68 N 0.52 0.71 -0.36 3.45 4.22 -0.99 -1.71 114.58 120.41 1mdk h GLU 68 Ca 0.14 -0.14 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1mdk h GLU 68 Cb 0.20 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1mdk h GLU 68 CO -0.01 0.66 0.00 0.00 -2.18 0.00 0.00 179.01 177.48 1mdk n ALA 69 N -2.34 2.48 -3.80 2.92 0.00 -0.35 -4.93 120.51 114.50 1mdk n ALA 69 Ca 0.01 -0.61 -0.24 0.00 0.00 0.00 0.00 53.44 52.60 1mdk n ALA 69 Cb 0.17 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 1mdk n ALA 69 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1mdk n GLU 70 N 0.48 -0.71 -2.71 0.00 0.28 0.54 -4.84 120.64 113.67 1mdk n GLU 70 Ca 0.11 -0.09 -0.41 0.00 -0.16 0.00 0.00 57.16 56.61 1mdk n GLU 70 Cb 0.30 -1.45 -0.04 0.00 1.43 0.00 0.00 31.44 31.68 1mdk n GLU 70 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1mdk s VAL 71 N -4.01 4.48 0.00 3.84 1.01 -0.65 -4.92 120.40 120.16 1mdk s VAL 71 Ca 0.18 2.04 0.00 0.00 0.00 0.00 0.00 61.98 64.20 1mdk s VAL 71 Cb -0.10 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1mdk s VAL 71 CO 0.58 0.30 0.69 0.29 0.00 0.00 0.00 175.10 176.96 1mdk n LYS 72 N 2.85 1.28 -3.71 2.72 5.02 -1.26 -4.93 118.16 120.14 1mdk n LYS 72 Ca 0.03 -0.92 -0.12 0.00 -2.02 0.00 0.00 58.31 55.28 1mdk n LYS 72 Cb 0.49 -0.76 -0.10 0.00 -0.02 0.00 0.00 35.03 34.64 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 -0.45 -1.12 0.12 7.82 0.00 -1.26 -5.17 121.76 121.70 1mdk s ALA 73 Ca 0.00 1.44 0.10 0.00 0.00 0.00 0.00 51.96 53.51 1mdk s ALA 73 Cb 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 1mdk s ALA 73 CO 0.00 -0.24 -0.26 0.95 0.00 0.00 0.00 175.76 176.21 1mdk s THR 74 N 0.82 2.14 0.33 0.00 -4.23 -1.26 -3.71 115.64 109.73 1mdk s THR 74 Ca -0.05 -1.69 -0.26 0.00 -1.18 0.00 0.00 61.69 58.52 1mdk s THR 74 Cb -0.06 -1.90 -0.10 0.00 1.34 0.00 0.00 72.50 71.79 1mdk s THR 74 CO -0.06 0.08 0.98 -2.16 -0.54 0.00 0.00 174.62 172.92 1mdk s PRO 75 N -1.96 4.51 -0.27 3.99 0.04 -1.26 -4.76 135.00 135.29 1mdk s PRO 75 Ca 0.12 1.41 -0.02 0.00 0.04 0.00 0.00 61.00 62.55 1mdk s PRO 75 Cb -0.10 -2.80 0.03 0.00 0.04 0.00 0.00 34.50 31.68 1mdk s PRO 75 CO 0.05 0.19 -0.02 0.99 0.04 0.00 0.00 177.00 178.25 1mdk s THR 76 N -1.57 3.03 -0.26 1.26 2.01 -1.18 -3.19 115.64 115.75 1mdk s THR 76 Ca 0.51 -1.12 -0.20 0.00 0.31 0.00 0.00 61.69 61.18 1mdk s THR 76 Cb -0.21 -2.62 -0.02 0.00 0.01 0.00 0.00 72.50 69.67 1mdk s THR 76 CO 0.26 0.07 0.63 -0.36 -0.69 0.00 0.00 174.62 174.54 1mdk s PHE 77 N 1.32 3.28 -0.06 4.92 0.08 -0.58 -2.68 117.98 124.26 1mdk s PHE 77 Ca -0.02 0.81 0.06 0.00 0.12 0.00 0.00 56.93 57.90 1mdk s PHE 77 Cb -0.18 -2.84 -0.01 0.00 -0.57 0.00 0.00 43.02 39.41 1mdk s PHE 77 CO -0.02 -0.33 -0.23 -0.65 -0.10 0.00 0.00 175.22 173.88 1mdk s GLN 78 N 2.51 2.55 -0.17 0.44 -0.21 -1.06 -0.41 119.66 123.30 1mdk s GLN 78 Ca 0.26 -0.87 -0.04 0.00 0.02 0.00 0.00 55.36 54.74 1mdk s GLN 78 Cb -0.15 -2.20 -0.02 0.00 1.00 0.00 0.00 33.01 31.63 1mdk s GLN 78 CO 0.09 0.42 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.57 1mdk s PHE 79 N -0.25 2.98 0.19 0.91 0.40 -0.44 -0.41 117.98 121.37 1mdk s PHE 79 Ca -0.01 -0.49 0.09 0.00 -0.60 0.00 0.00 56.93 55.92 1mdk s PHE 79 Cb -0.13 -2.00 -0.04 0.00 0.51 0.00 0.00 43.02 41.36 1mdk s PHE 79 CO 0.03 -0.20 -0.17 -0.06 0.70 0.00 0.00 175.22 175.52 1mdk s PHE 80 N 0.70 1.84 -0.23 0.36 0.08 0.37 -2.14 117.98 118.96 1mdk s PHE 80 Ca -0.02 -0.49 -0.09 0.00 0.12 0.00 0.00 56.93 56.44 1mdk s PHE 80 Cb -0.15 -0.88 0.09 0.00 -0.57 0.00 0.00 43.02 41.52 1mdk s PHE 80 CO 0.02 0.39 0.50 0.21 -0.10 0.00 0.00 175.22 176.24 1mdk s LYS 81 N -3.19 0.45 -1.62 0.44 2.20 0.12 -1.97 119.74 116.17 1mdk s LYS 81 Ca 0.20 1.10 0.00 0.00 -0.36 0.00 0.00 55.97 56.91 1mdk s LYS 81 Cb -0.04 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.62 1mdk s LYS 81 CO 0.08 -0.21 0.00 1.63 -0.36 0.00 0.00 175.35 176.49 1mdk n LYS 82 N 5.00 -1.76 -0.82 4.03 5.02 -1.26 -0.20 118.16 128.17 1mdk n LYS 82 Ca -0.14 0.92 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 1mdk n LYS 82 Cb 0.52 -5.49 0.00 0.00 -0.02 0.00 0.00 35.03 30.04 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 -0.80 0.72 3.55 0.72 0.00 -1.26 -5.00 105.19 103.13 1mdk n GLY 83 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.18 2.28 0.13 1.61 -0.21 0.73 -5.11 119.66 118.90 1mdk s GLN 84 Ca 0.00 -0.90 -0.24 0.00 0.02 0.00 0.00 55.36 54.25 1mdk s GLN 84 Cb 0.00 -2.35 -0.07 0.00 1.00 0.00 0.00 33.01 31.59 1mdk s GLN 84 CO 0.00 0.55 0.72 0.21 -2.12 0.00 0.00 175.29 174.65 1mdk s LYS 85 N -1.70 4.46 0.00 2.91 2.20 -1.26 0.16 119.74 126.51 1mdk s LYS 85 Ca 0.18 1.03 0.00 0.00 -0.36 0.00 0.00 55.97 56.82 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 0.09 0.57 0.00 1.33 -0.36 0.00 0.00 175.35 176.98 1mdk n VAL 86 N 1.73 0.00 -3.85 4.02 0.24 -0.91 -4.93 118.33 114.63 1mdk n VAL 86 Ca -0.07 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.27 1mdk n VAL 86 Cb 0.49 0.23 0.01 0.00 -1.47 0.00 0.00 33.84 33.10 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 -1.78 -0.30 -0.16 7.63 0.00 -1.24 -5.04 107.32 106.42 1mdk s GLY 87 Ca 0.00 0.42 -0.33 0.00 0.00 0.00 0.00 44.72 44.81 1mdk s GLY 87 CO 0.00 4.20 1.14 -1.83 0.00 0.00 0.00 173.10 176.62 1mdk s GLU 88 N -2.04 0.41 -0.29 2.90 -1.05 -1.26 -1.33 118.70 116.04 1mdk s GLU 88 Ca 0.25 -0.13 -0.17 0.00 -0.15 0.00 0.00 54.97 54.78 1mdk s GLU 88 Cb 0.03 0.19 0.14 0.00 -0.44 0.00 0.00 34.13 34.05 1mdk s GLU 88 CO -0.04 -0.17 0.97 -0.59 0.95 0.00 0.00 175.26 176.38 1mdk s PHE 89 N -2.42 -0.58 0.00 4.83 -0.12 0.46 -5.00 117.98 115.15 1mdk s PHE 89 Ca 0.08 1.17 0.00 0.00 -0.05 0.00 0.00 56.93 58.13 1mdk s PHE 89 Cb -0.01 0.35 0.00 0.00 -0.63 0.00 0.00 43.02 42.73 1mdk s PHE 89 CO -0.05 -0.28 0.00 -1.13 -0.05 0.00 0.00 175.22 173.70 1mdk n SER 90 N 3.59 0.33 -0.13 1.98 3.41 -1.26 -1.53 113.62 120.01 1mdk n SER 90 Ca -0.18 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 1mdk n SER 90 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 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 -2.80 3.54 5.00 0.00 -1.19 -4.70 105.19 110.04 1mdk n GLY 91 Ca 0.00 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.81 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 0.06 0.59 -3.30 4.61 0.00 -1.26 -4.76 120.51 116.45 1mdk n ALA 92 Ca 0.00 -1.05 -0.25 0.00 0.00 0.00 0.00 53.44 52.14 1mdk n ALA 92 Cb 0.00 -3.01 -0.08 0.00 0.00 0.00 0.00 19.45 16.36 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 14.90 0.33 -0.09 0.00 2.85 -1.26 -4.96 115.26 127.03 1mdk n ASN 93 Ca 0.50 -2.66 0.00 0.00 -0.11 0.00 0.00 54.58 52.31 1mdk n ASN 93 Cb 0.37 -0.62 0.28 0.00 1.24 0.00 0.00 39.78 41.06 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 4.62 0.72 0.00 1.20 2.10 -1.99 -1.88 116.57 121.34 1mdk h LYS 94 Ca 0.15 -0.10 -0.04 0.00 -2.00 0.00 0.00 60.65 58.66 1mdk h LYS 94 Cb 0.87 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 32.06 1mdk h LYS 94 CO 0.47 0.59 -0.20 0.93 -2.00 0.00 0.00 179.45 179.25 1mdk h GLU 95 N 0.72 0.00 -0.15 0.07 5.08 -2.00 -2.30 114.58 116.01 1mdk h GLU 95 Ca 0.17 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 1mdk h GLU 95 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1mdk h GLU 95 CO -0.02 0.20 -0.44 -0.22 -1.00 0.00 0.00 179.01 177.53 1mdk h LYS 96 N 0.00 0.35 -1.01 2.33 3.64 -1.76 -2.86 116.57 117.27 1mdk h LYS 96 Ca -0.00 -0.18 0.25 0.00 -1.27 0.00 0.00 60.65 59.44 1mdk h LYS 96 Cb 0.43 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.16 1mdk h LYS 96 CO 0.03 0.73 0.65 -0.07 -2.27 0.00 0.00 179.45 178.52 1mdk h LEU 97 N 0.29 0.45 0.53 5.20 3.38 -1.38 0.19 115.31 123.97 1mdk h LEU 97 Ca 0.02 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1mdk h LEU 97 Cb 0.90 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.65 1mdk h LEU 97 CO 0.07 0.11 -0.26 -0.08 0.09 0.00 0.00 178.44 178.38 1mdk h GLU 98 N 0.41 -0.69 -0.61 1.13 4.81 -1.63 -2.37 114.58 115.63 1mdk h GLU 98 Ca 0.56 0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.84 1mdk h GLU 98 Cb 1.41 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.92 1mdk h GLU 98 CO -0.26 -0.39 0.38 0.00 -0.73 0.00 0.00 179.01 178.00 1mdk h ALA 99 N -0.91 1.51 -0.17 2.92 0.00 -1.39 -2.45 119.26 118.78 1mdk h ALA 99 Ca -0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1mdk h ALA 99 Cb 0.61 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1mdk h ALA 99 CO 0.12 0.43 -0.04 1.15 0.00 0.00 0.00 179.25 180.91 1mdk h THR 100 N 0.84 1.29 0.21 0.00 2.02 -0.68 -2.20 112.91 114.39 1mdk h THR 100 Ca 0.22 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1mdk h THR 100 Cb -0.05 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1mdk h THR 100 CO -0.04 0.30 -0.10 0.40 0.37 0.00 0.00 175.52 176.45 1mdk h ILE 101 N 0.04 0.82 0.00 3.11 2.04 -1.25 -1.28 117.51 120.99 1mdk h ILE 101 Ca 0.04 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1mdk h ILE 101 Cb 0.48 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1mdk h ILE 101 CO 0.02 0.03 0.01 -1.13 0.00 0.00 0.00 178.15 177.08 1mdk h ASN 102 N -0.34 0.00 0.18 1.72 -0.73 -1.47 0.31 115.58 115.24 1mdk h ASN 102 Ca -0.03 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.13 1mdk h ASN 102 Cb 0.26 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.86 1mdk h ASN 102 CO 0.05 0.00 -0.08 -0.08 -0.37 0.00 0.00 177.43 176.94 1mdk h GLU 103 N 0.00 -0.23 -0.66 6.67 4.81 -0.58 -3.33 114.58 121.26 1mdk h GLU 103 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1mdk h GLU 103 Cb 0.03 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1mdk h GLU 103 CO 0.00 -0.12 0.00 1.28 -0.73 0.00 0.00 179.01 179.44 1mdk n LEU 104 N -4.93 3.70 0.00 1.64 4.77 -0.99 -5.11 117.00 116.08 1mdk n LEU 104 Ca -0.03 -1.87 0.04 0.00 -0.03 0.00 0.00 56.01 54.11 1mdk n LEU 104 Cb 0.11 -0.54 0.21 0.00 -2.33 0.00 0.00 43.42 40.87 1mdk n LEU 104 CO 0.08 0.54 0.44 0.55 -1.33 0.00 0.00 177.39 177.67