#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 4.90 -0.23 2.03 1.01 -1.26 -1.91 120.40 124.94 1mdk s VAL 2 Ca 0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 1mdk s VAL 2 Cb 0.00 -3.79 0.10 0.00 0.00 0.00 0.00 36.38 32.69 1mdk s VAL 2 CO 0.00 -0.50 0.50 -0.75 0.00 0.00 0.00 175.10 174.35 1mdk s LYS 3 N -4.34 0.42 0.14 2.72 2.36 -0.51 -4.93 119.74 115.61 1mdk s LYS 3 Ca 0.41 1.15 -0.21 0.00 -2.55 0.00 0.00 55.97 54.77 1mdk s LYS 3 Cb -0.10 0.46 -0.07 0.00 -1.05 0.00 0.00 37.83 37.07 1mdk s LYS 3 CO 0.36 -0.22 0.67 -1.14 1.55 0.00 0.00 175.35 176.57 1mdk s GLN 4 N 2.56 4.32 -0.34 4.03 0.74 -1.26 -1.58 119.66 128.13 1mdk s GLN 4 Ca -0.04 0.89 -0.06 0.00 0.05 0.00 0.00 55.36 56.20 1mdk s GLN 4 Cb -0.11 -3.14 0.04 0.00 1.10 0.00 0.00 33.01 30.90 1mdk s GLN 4 CO -0.15 0.55 0.10 0.42 -0.55 0.00 0.00 175.29 175.66 1mdk s ILE 5 N -1.24 3.70 -0.50 -2.34 -1.09 -0.27 -4.89 121.20 114.56 1mdk s ILE 5 Ca 0.35 -1.19 0.20 0.00 -2.23 0.00 0.00 60.65 57.78 1mdk s ILE 5 Cb -0.20 -3.11 -0.27 0.00 -1.58 0.00 0.00 42.46 37.30 1mdk s ILE 5 CO 0.22 -0.19 0.66 -0.62 -1.23 0.00 0.00 174.94 173.78 1mdk n GLU 6 N 4.79 0.48 -3.60 2.79 1.02 -1.26 -4.32 120.64 120.54 1mdk n GLU 6 Ca -0.12 -0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 56.81 1mdk n GLU 6 Cb 0.44 -1.47 -0.05 0.00 -0.02 0.00 0.00 31.44 30.34 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 -3.63 -0.33 0.57 1.62 1.04 -1.26 -4.64 113.70 107.06 1mdk s SER 7 Ca 0.00 -0.09 0.30 0.00 0.48 0.00 0.00 55.95 56.64 1mdk s SER 7 Cb 0.14 0.48 1.46 0.00 0.10 0.00 0.00 66.02 68.20 1mdk s SER 7 CO 0.85 -0.79 1.88 0.50 0.98 0.00 0.00 173.24 176.65 1mdk h LYS 8 N 2.56 0.00 -0.17 4.02 3.64 -1.92 -0.24 116.57 124.46 1mdk h LYS 8 Ca -0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1mdk h LYS 8 Cb 1.24 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1mdk h LYS 8 CO 0.44 0.00 0.11 1.15 -2.27 0.00 0.00 179.45 178.87 1mdk h THR 9 N 0.00 1.06 0.00 1.00 2.02 -2.01 -2.14 112.91 112.84 1mdk h THR 9 Ca 0.31 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.30 1mdk h THR 9 Cb 1.43 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1mdk h THR 9 CO -0.00 0.05 -0.31 0.00 0.37 0.00 0.00 175.52 175.63 1mdk h ALA 10 N 1.04 1.22 0.24 6.16 0.00 -1.43 -2.76 119.26 123.73 1mdk h ALA 10 Ca 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 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 -0.01 0.38 -0.12 0.35 0.00 0.00 0.00 179.25 179.85 1mdk h PHE 11 N 0.00 -0.30 -0.72 0.00 3.57 -1.08 0.29 116.94 118.69 1mdk h PHE 11 Ca -0.00 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.59 1mdk h PHE 11 Cb 0.66 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.43 1mdk h PHE 11 CO 0.00 -0.19 0.35 1.96 -2.23 0.00 0.00 178.31 178.20 1mdk h GLN 12 N -0.32 0.56 -0.77 1.11 4.20 -1.57 -0.05 115.11 118.27 1mdk h GLN 12 Ca -0.03 -0.03 0.02 0.00 0.06 0.00 0.00 58.65 58.66 1mdk h GLN 12 Cb 0.25 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 1mdk h GLN 12 CO 0.05 0.37 0.51 0.93 -0.67 0.00 0.00 178.83 180.02 1mdk h GLU 13 N 0.58 0.97 -0.28 1.46 5.08 -1.40 -1.48 114.58 119.51 1mdk h GLU 13 Ca 0.37 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1mdk h GLU 13 Cb 0.42 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1mdk h GLU 13 CO -0.29 0.64 0.19 0.00 -1.00 0.00 0.00 179.01 178.55 1mdk h ALA 14 N 1.53 0.36 -0.55 3.43 0.00 0.15 0.18 119.26 124.36 1mdk h ALA 14 Ca 0.29 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1mdk h ALA 14 Cb -0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1mdk h ALA 14 CO -0.07 -0.17 0.21 -0.07 0.00 0.00 0.00 179.25 179.15 1mdk h LEU 15 N 0.38 0.76 -0.57 0.00 3.38 -1.10 0.48 115.31 118.65 1mdk h LEU 15 Ca 0.10 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1mdk h LEU 15 Cb -0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1mdk h LEU 15 CO -0.02 0.73 0.16 -0.78 0.09 0.00 0.00 178.44 178.61 1mdk h ASP 16 N 0.75 0.84 1.35 -0.43 1.82 -0.91 -2.27 116.42 117.57 1mdk h ASP 16 Ca 0.18 -0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 1mdk h ASP 16 Cb 0.21 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.00 1mdk h ASP 16 CO -0.01 0.84 -0.00 0.00 -1.61 0.00 0.00 179.24 178.45 1mdk n ALA 17 N -2.39 2.30 0.57 -0.78 0.00 0.59 -3.18 120.51 117.61 1mdk n ALA 17 Ca 0.03 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.48 1mdk n ALA 17 Cb 0.22 -1.47 0.31 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.71 1.71 -0.47 0.00 0.00 0.17 -4.92 120.51 115.29 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 0.41 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 -0.22 1.93 0.00 0.00 0.00 -1.19 -3.20 105.19 102.51 1mdk n GLY 19 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1mdk n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mdk n ASP 20 N 10.47 0.04 -4.68 1.61 5.75 -1.26 -4.55 116.55 123.92 1mdk n ASP 20 Ca 0.00 -1.01 -0.29 0.00 -0.01 0.00 0.00 54.79 53.48 1mdk n ASP 20 Cb 0.00 0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.25 1mdk n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1mdk s LYS 21 N -0.01 0.73 0.93 0.11 1.02 -1.19 -4.77 119.74 116.56 1mdk s LYS 21 Ca 0.00 0.72 -0.11 0.00 0.02 0.00 0.00 55.97 56.60 1mdk s LYS 21 Cb 0.00 -1.76 0.15 0.00 -0.52 0.00 0.00 37.83 35.71 1mdk s LYS 21 CO 0.00 -2.58 1.12 -1.17 -0.92 0.00 0.00 175.35 171.80 1mdk s LEU 22 N -6.41 2.51 -0.24 3.17 0.20 -1.26 -4.72 118.68 111.92 1mdk s LEU 22 Ca 0.65 1.98 -0.03 0.00 0.69 0.00 0.00 54.13 57.41 1mdk s LEU 22 Cb -0.19 -4.33 0.10 0.00 -0.43 0.00 0.00 46.19 41.34 1mdk s LEU 22 CO 0.58 -3.09 0.20 -0.69 -0.29 0.00 0.00 176.35 173.06 1mdk s VAL 23 N -2.68 -0.26 -0.17 1.68 1.01 -0.92 -2.06 120.40 116.99 1mdk s VAL 23 Ca 0.66 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 62.23 1mdk s VAL 23 Cb -0.22 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 1mdk s VAL 23 CO 0.59 -0.38 0.09 -0.69 0.00 0.00 0.00 175.10 174.71 1mdk s VAL 24 N 2.27 5.02 -0.08 2.92 1.01 -0.77 -0.55 120.40 130.22 1mdk s VAL 24 Ca 0.07 0.05 -0.00 0.00 0.00 0.00 0.00 61.98 62.09 1mdk s VAL 24 Cb -0.15 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 1mdk s VAL 24 CO -0.21 0.49 -0.05 -0.69 0.00 0.00 0.00 175.10 174.64 1mdk s VAL 25 N 0.07 3.88 -0.43 2.92 1.01 0.12 -1.56 120.40 126.41 1mdk s VAL 25 Ca 0.07 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 1mdk s VAL 25 Cb -0.12 -2.61 0.10 0.00 0.00 0.00 0.00 36.38 33.75 1mdk s VAL 25 CO 0.00 0.59 0.27 -0.62 0.00 0.00 0.00 175.10 175.33 1mdk s ASP 26 N -0.66 5.51 -1.25 3.32 2.15 -1.14 -2.65 116.67 121.95 1mdk s ASP 26 Ca 0.10 -1.83 -0.16 0.00 0.43 0.00 0.00 52.55 51.10 1mdk s ASP 26 Cb -0.12 -1.94 0.12 0.00 -0.30 0.00 0.00 42.92 40.69 1mdk s ASP 26 CO 0.02 -0.59 1.58 0.49 -0.17 0.00 0.00 175.17 176.50 1mdk n PHE 27 N 4.80 4.83 -4.26 -5.34 3.01 -1.08 -2.48 117.46 116.93 1mdk n PHE 27 Ca -0.07 -3.11 -0.30 0.00 1.01 0.00 0.00 57.45 54.98 1mdk n PHE 27 Cb 0.42 -2.40 -0.10 0.00 -0.01 0.00 0.00 39.48 37.38 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 3.48 4.31 -0.15 4.37 0.01 -1.17 -3.18 113.70 121.38 1mdk s SER 28 Ca 0.48 -0.40 -0.18 0.00 1.31 0.00 0.00 55.95 57.16 1mdk s SER 28 Cb 0.00 -0.80 -0.04 0.00 0.21 0.00 0.00 66.02 65.40 1mdk s SER 28 CO 0.04 0.18 0.48 0.00 0.41 0.00 0.00 173.24 174.36 1mdk s ALA 29 N -1.19 3.50 0.38 1.44 0.00 -1.26 -4.18 121.76 120.45 1mdk s ALA 29 Ca 0.20 -0.27 0.22 0.00 0.00 0.00 0.00 51.96 52.12 1mdk s ALA 29 Cb -0.11 -2.69 1.16 0.00 0.00 0.00 0.00 23.12 21.48 1mdk s ALA 29 CO 0.13 -0.13 1.98 0.00 0.00 0.00 0.00 175.76 177.73 1mdk h THR 30 N 4.85 0.81 0.00 0.00 1.03 -1.98 -2.30 112.91 115.31 1mdk h THR 30 Ca -0.39 -0.78 0.00 0.00 -0.01 0.00 0.00 66.41 65.24 1mdk h THR 30 Cb 1.17 1.46 0.00 0.00 -1.07 0.00 0.00 68.15 69.71 1mdk h THR 30 CO 0.75 0.19 -0.59 -2.67 -0.01 0.00 0.00 175.52 173.20 1mdk n TRP 31 N -3.82 0.42 -3.40 0.00 4.27 -1.26 -4.81 117.44 108.85 1mdk n TRP 31 Ca -0.02 0.12 -0.38 0.00 -3.89 0.00 0.00 57.50 53.34 1mdk n TRP 31 Cb 0.30 -0.57 -0.07 0.00 -1.36 0.00 0.00 31.31 29.61 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 7.49 -0.90 -0.82 0.00 0.00 -1.87 -2.54 103.07 104.43 1mdk h GLY 33 Ca -0.37 0.33 0.39 0.00 0.00 0.00 0.00 47.33 47.69 1mdk h GLY 33 CO 0.72 -0.33 0.91 -2.55 0.00 0.00 0.00 176.54 175.30 1mdk h PRO 34 N -1.16 0.11 0.07 4.80 0.11 -1.94 1.41 132.00 135.40 1mdk h PRO 34 Ca -0.09 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 1mdk h PRO 34 Cb 0.69 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1mdk h PRO 34 CO 0.14 0.07 -0.03 0.00 -0.21 0.00 0.00 178.00 177.97 1mdk h ALA 35 N 1.44 -0.10 0.00 -0.75 0.00 -1.84 -3.28 119.26 114.73 1mdk h ALA 35 Ca 0.71 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.60 1mdk h ALA 35 Cb 2.45 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.28 1mdk h ALA 35 CO -0.20 -0.10 0.00 -0.22 0.00 0.00 0.00 179.25 178.74 1mdk h LYS 36 N -0.87 0.00 0.00 0.00 3.64 -0.84 -2.13 116.57 116.37 1mdk h LYS 36 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1mdk h LYS 36 Cb 0.07 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1mdk h LYS 36 CO 0.02 0.00 -0.03 1.98 -2.27 0.00 0.00 179.45 179.14 1mdk h MET 37 N 0.00 0.00 -0.64 1.90 4.05 0.18 -1.45 114.93 118.97 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 0.03 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 1mdk h MET 37 CO 0.00 0.03 0.00 -0.89 0.23 0.00 0.00 176.91 176.28 1mdk n ILE 38 N -4.12 1.66 0.08 1.77 5.41 -0.80 -4.40 119.36 118.96 1mdk n ILE 38 Ca -0.03 -1.01 -0.02 0.00 1.00 0.00 0.00 62.75 62.68 1mdk n ILE 38 Cb 0.12 0.00 0.22 0.00 -0.71 0.00 0.00 39.64 39.27 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 3.44 0.27 0.00 0.38 2.10 -1.43 -2.68 116.57 118.65 1mdk h LYS 39 Ca 0.00 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.52 1mdk h LYS 39 Cb 1.34 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1mdk h LYS 39 CO 0.23 0.63 0.00 -2.30 -2.00 0.00 0.00 179.45 176.02 1mdk n PRO 40 N -4.03 0.08 0.00 0.07 -0.02 -1.26 -2.39 135.00 127.45 1mdk n PRO 40 Ca -0.01 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1mdk n PRO 40 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 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 -1.23 0.00 -0.37 6.00 3.01 -1.02 -4.09 117.46 119.76 1mdk n PHE 41 Ca 0.02 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.44 1mdk n PHE 41 Cb 0.03 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.50 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 -1.30 -0.28 1.38 3.57 -1.63 0.50 116.94 119.17 1mdk h PHE 42 Ca 0.00 0.11 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 1mdk h PHE 42 Cb 0.00 0.70 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 1mdk h PHE 42 CO 0.00 -0.40 -0.18 1.25 -2.23 0.00 0.00 178.31 176.76 1mdk h HIS 43 N -0.03 0.56 -0.38 0.41 2.76 -1.72 -2.73 115.15 114.02 1mdk h HIS 43 Ca 0.28 -0.10 -0.06 0.00 -2.20 0.00 0.00 60.37 58.29 1mdk h HIS 43 Cb 0.55 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 1mdk h HIS 43 CO -0.89 0.66 -0.03 0.66 -1.30 0.00 0.00 177.93 177.03 1mdk h SER 44 N 0.46 0.59 0.00 3.26 4.64 -0.19 -1.92 113.55 120.39 1mdk h SER 44 Ca 0.08 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1mdk h SER 44 Cb 0.57 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1mdk h SER 44 CO 0.04 0.68 0.40 -0.07 -0.87 0.00 0.00 176.83 177.01 1mdk h LEU 45 N 0.58 0.00 -1.36 5.97 3.38 -0.52 0.85 115.31 124.22 1mdk h LEU 45 Ca 0.12 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.16 1mdk h LEU 45 Cb 0.42 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1mdk h LEU 45 CO 0.02 0.00 0.50 0.28 0.09 0.00 0.00 178.44 179.33 1mdk h SER 46 N 0.00 0.67 0.51 -0.43 0.02 -1.49 0.46 113.55 113.29 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 0.80 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1mdk h SER 46 CO 0.00 0.42 -0.99 -0.62 -1.14 0.00 0.00 176.83 174.50 1mdk n GLU 47 N -4.49 0.31 0.05 3.45 -0.58 0.29 -3.69 120.64 115.98 1mdk n GLU 47 Ca 0.12 0.01 0.05 0.00 -0.42 0.00 0.00 57.16 56.92 1mdk n GLU 47 Cb 0.26 -1.62 -0.06 0.00 -0.57 0.00 0.00 31.44 29.46 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 -2.03 0.62 -3.30 3.49 4.81 -0.52 -4.54 118.16 116.70 1mdk n LYS 48 Ca 0.02 0.14 -0.25 0.00 -0.87 0.00 0.00 58.31 57.35 1mdk n LYS 48 Cb 0.45 -1.78 -0.08 0.00 0.02 0.00 0.00 35.03 33.63 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 -2.75 0.33 0.55 5.64 4.01 0.15 -4.91 117.16 120.18 1mdk n TYR 49 Ca -0.06 -3.64 0.05 0.00 -0.16 0.00 0.00 57.90 54.09 1mdk n TYR 49 Cb 0.71 -0.28 0.28 0.00 -0.31 0.00 0.00 39.34 39.75 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 1.63 0.00 -0.78 7.72 3.41 -1.24 -1.25 113.62 123.10 1mdk n SER 50 Ca 0.24 0.05 0.13 0.00 -0.26 0.00 0.00 58.87 59.03 1mdk n SER 50 Cb 0.49 -0.24 0.22 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.24 2.48 -4.47 4.04 2.85 -1.26 -4.59 115.26 113.08 1mdk n ASN 51 Ca 0.06 -1.81 -0.30 0.00 -0.11 0.00 0.00 54.58 52.42 1mdk n ASN 51 Cb 0.08 0.03 -0.12 0.00 1.24 0.00 0.00 39.78 41.01 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 -2.04 2.80 -0.18 3.44 1.01 -0.38 -4.57 120.40 120.48 1mdk s VAL 52 Ca 0.30 -1.35 -0.11 0.00 0.00 0.00 0.00 61.98 60.82 1mdk s VAL 52 Cb 0.20 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 1mdk s VAL 52 CO 0.33 0.22 0.18 -0.63 0.00 0.00 0.00 175.10 175.20 1mdk s ILE 53 N -1.03 5.38 -0.09 2.22 -1.09 -0.88 -3.82 121.20 121.89 1mdk s ILE 53 Ca 0.16 0.31 0.04 0.00 -2.23 0.00 0.00 60.65 58.92 1mdk s ILE 53 Cb -0.11 -3.52 -0.01 0.00 -1.58 0.00 0.00 42.46 37.25 1mdk s ILE 53 CO 0.08 0.44 -0.21 -0.36 -1.23 0.00 0.00 174.94 173.65 1mdk s PHE 54 N 0.30 2.60 0.44 3.97 0.08 -0.80 -1.84 117.98 122.72 1mdk s PHE 54 Ca 0.11 -0.80 0.07 0.00 0.12 0.00 0.00 56.93 56.43 1mdk s PHE 54 Cb -0.12 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.59 1mdk s PHE 54 CO 0.00 -0.27 0.20 -0.51 -0.10 0.00 0.00 175.22 174.54 1mdk s LEU 55 N 0.13 2.99 -0.02 -0.37 1.02 -0.60 -1.42 118.68 120.40 1mdk s LEU 55 Ca -0.11 -1.15 -0.02 0.00 0.02 0.00 0.00 54.13 52.88 1mdk s LEU 55 Cb -0.16 -1.35 0.01 0.00 0.02 0.00 0.00 46.19 44.71 1mdk s LEU 55 CO 0.06 -0.65 0.06 -0.70 0.02 0.00 0.00 176.35 175.14 1mdk s GLU 56 N -3.96 0.05 -0.00 1.70 2.12 -0.61 -2.90 118.70 115.10 1mdk s GLU 56 Ca 0.37 0.12 0.01 0.00 0.36 0.00 0.00 54.97 55.83 1mdk s GLU 56 Cb 0.03 -0.02 -0.00 0.00 0.26 0.00 0.00 34.13 34.39 1mdk s GLU 56 CO 0.21 -0.04 -0.05 0.08 -0.54 0.00 0.00 175.26 174.92 1mdk s VAL 57 N 0.27 0.36 -0.52 3.70 1.01 -1.04 -1.12 120.40 123.07 1mdk s VAL 57 Ca -0.02 -0.19 -0.16 0.00 0.00 0.00 0.00 61.98 61.61 1mdk s VAL 57 Cb -0.03 -0.31 0.11 0.00 0.00 0.00 0.00 36.38 36.15 1mdk s VAL 57 CO -0.01 0.10 0.46 -0.62 0.00 0.00 0.00 175.10 175.04 1mdk s ASP 58 N -0.10 6.18 0.00 3.32 2.15 -1.26 -3.05 116.67 123.90 1mdk s ASP 58 Ca 0.02 -1.63 0.02 0.00 0.43 0.00 0.00 52.55 51.38 1mdk s ASP 58 Cb -0.02 -2.20 0.09 0.00 -0.30 0.00 0.00 42.92 40.49 1mdk s ASP 58 CO -0.00 -0.79 0.69 1.33 -0.17 0.00 0.00 175.17 176.23 1mdk n VAL 59 N 5.23 0.43 -0.08 1.11 0.24 -1.26 0.39 118.33 124.39 1mdk n VAL 59 Ca -0.13 0.11 -0.13 0.00 -2.04 0.00 0.00 64.34 62.14 1mdk n VAL 59 Cb 0.41 -1.08 -0.06 0.00 -1.47 0.00 0.00 33.84 31.64 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 -1.11 2.08 -0.03 -1.34 8.00 -1.26 -4.34 116.55 118.55 1mdk n ASP 60 Ca 0.01 0.04 -0.03 0.00 0.71 0.00 0.00 54.79 55.52 1mdk n ASP 60 Cb 0.01 -0.34 -0.13 0.00 -0.02 0.00 0.00 41.12 40.64 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 -3.28 0.43 -2.28 -2.24 2.03 -1.07 -4.16 116.55 105.99 1mdk n ASP 61 Ca -0.28 0.19 -0.32 0.00 0.52 0.00 0.00 54.79 54.90 1mdk n ASP 61 Cb 0.75 0.70 0.06 0.00 -0.72 0.00 0.00 41.12 41.92 1mdk n ASP 61 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1mdk n ALA 62 N -2.52 6.03 0.20 -1.67 0.00 0.16 -4.70 120.51 118.01 1mdk n ALA 62 Ca -0.18 -3.58 0.09 0.00 0.00 0.00 0.00 53.44 49.77 1mdk n ALA 62 Cb 0.94 -1.43 0.49 0.00 0.00 0.00 0.00 19.45 19.45 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 2.08 0.00 -0.23 0.00 3.07 -1.72 0.20 115.11 118.51 1mdk h GLN 63 Ca 0.55 0.00 -0.15 0.00 0.09 0.00 0.00 58.65 59.14 1mdk h GLN 63 Cb 0.96 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.51 1mdk h GLN 63 CO 1.39 0.00 -0.47 0.38 0.09 0.00 0.00 178.83 180.22 1mdk h ASP 64 N 0.00 0.63 -0.00 0.06 2.03 -1.91 0.32 116.42 117.55 1mdk h ASP 64 Ca 0.00 -0.31 -0.03 0.00 -0.73 0.00 0.00 57.03 55.97 1mdk h ASP 64 Cb 0.51 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 38.83 1mdk h ASP 64 CO 0.00 1.00 -0.11 0.58 -1.03 0.00 0.00 179.24 179.69 1mdk h VAL 65 N 0.47 1.57 -0.22 4.15 2.07 -0.98 -2.77 116.25 120.54 1mdk h VAL 65 Ca 0.03 -1.84 -0.04 0.00 0.82 0.00 0.00 66.70 65.68 1mdk h VAL 65 Cb 0.99 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 33.52 1mdk h VAL 65 CO 0.09 0.49 -0.02 0.00 0.02 0.00 0.00 177.57 178.15 1mdk h ALA 66 N 0.26 1.56 -0.08 1.67 0.00 -1.51 -1.32 119.26 119.84 1mdk h ALA 66 Ca -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1mdk h ALA 66 Cb 0.86 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1mdk h ALA 66 CO 0.02 0.32 0.03 0.77 0.00 0.00 0.00 179.25 180.40 1mdk h SER 67 N 0.32 0.11 -0.32 0.00 0.02 -0.35 0.58 113.55 113.92 1mdk h SER 67 Ca 0.07 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 1mdk h SER 67 Cb 0.25 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1mdk h SER 67 CO 0.01 0.24 -0.02 -0.08 -1.14 0.00 0.00 176.83 175.84 1mdk h GLU 68 N -0.02 0.68 -0.02 3.45 4.22 -1.17 -1.92 114.58 119.80 1mdk h GLU 68 Ca 0.03 -0.18 0.00 0.00 0.08 0.00 0.00 59.36 59.29 1mdk h GLU 68 Cb 0.16 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1mdk h GLU 68 CO -0.00 0.71 0.00 0.00 -2.18 0.00 0.00 179.01 177.54 1mdk n ALA 69 N -2.48 2.60 -4.04 2.92 0.00 -0.53 -4.93 120.51 114.05 1mdk n ALA 69 Ca 0.02 -0.39 -0.28 0.00 0.00 0.00 0.00 53.44 52.79 1mdk n ALA 69 Cb 0.29 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.08 -2.44 -2.71 0.00 1.02 0.20 -4.88 120.64 111.75 1mdk n GLU 70 Ca 0.20 0.31 -0.42 0.00 -0.02 0.00 0.00 57.16 57.23 1mdk n GLU 70 Cb 0.29 -4.18 -0.03 0.00 -0.02 0.00 0.00 31.44 27.50 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 -4.03 4.74 0.00 2.62 1.01 -0.76 -4.90 120.40 119.07 1mdk s VAL 71 Ca 0.05 2.05 0.00 0.00 0.00 0.00 0.00 61.98 64.07 1mdk s VAL 71 Cb -0.02 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1mdk s VAL 71 CO 0.92 0.20 0.55 0.29 0.00 0.00 0.00 175.10 177.06 1mdk n LYS 72 N 3.57 0.70 -3.66 2.72 5.02 -1.26 -4.94 118.16 120.31 1mdk n LYS 72 Ca 0.05 -0.69 -0.09 0.00 -2.02 0.00 0.00 58.31 55.55 1mdk n LYS 72 Cb 0.50 -0.74 -0.10 0.00 -0.02 0.00 0.00 35.03 34.68 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 -0.29 -1.07 0.10 7.82 0.00 -1.26 -5.16 121.76 121.89 1mdk s ALA 73 Ca 0.00 1.43 0.05 0.00 0.00 0.00 0.00 51.96 53.44 1mdk s ALA 73 Cb 0.00 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 1mdk s ALA 73 CO 0.00 -0.71 0.02 0.95 0.00 0.00 0.00 175.76 176.02 1mdk s THR 74 N 2.50 4.11 0.29 0.00 -4.23 -1.26 -3.61 115.64 113.45 1mdk s THR 74 Ca -0.02 -0.99 -0.28 0.00 -1.18 0.00 0.00 61.69 59.22 1mdk s THR 74 Cb -0.12 -2.98 -0.09 0.00 1.34 0.00 0.00 72.50 70.65 1mdk s THR 74 CO -0.12 0.09 1.00 -2.16 -0.54 0.00 0.00 174.62 172.89 1mdk s PRO 75 N -2.42 4.63 -0.25 3.99 0.04 -1.26 -4.82 135.00 134.91 1mdk s PRO 75 Ca 0.27 1.54 -0.02 0.00 0.04 0.00 0.00 61.00 62.82 1mdk s PRO 75 Cb -0.11 -3.03 0.02 0.00 0.04 0.00 0.00 34.50 31.42 1mdk s PRO 75 CO 0.19 0.28 -0.05 0.99 0.04 0.00 0.00 177.00 178.45 1mdk s THR 76 N -1.35 2.96 -0.28 1.26 2.01 -1.19 -3.02 115.64 116.02 1mdk s THR 76 Ca 0.47 -0.96 -0.19 0.00 0.31 0.00 0.00 61.69 61.32 1mdk s THR 76 Cb -0.25 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 1mdk s THR 76 CO 0.32 0.22 0.57 -0.36 -0.69 0.00 0.00 174.62 174.67 1mdk s PHE 77 N 1.35 3.24 -0.09 4.92 0.08 -0.56 -2.63 117.98 124.29 1mdk s PHE 77 Ca 0.01 0.59 0.03 0.00 0.12 0.00 0.00 56.93 57.68 1mdk s PHE 77 Cb -0.16 -2.85 -0.01 0.00 -0.57 0.00 0.00 43.02 39.43 1mdk s PHE 77 CO -0.04 -0.38 -0.19 -0.65 -0.10 0.00 0.00 175.22 173.86 1mdk s GLN 78 N 2.44 2.95 -0.19 0.44 -0.21 -1.08 -0.39 119.66 123.62 1mdk s GLN 78 Ca 0.23 -0.79 -0.05 0.00 0.02 0.00 0.00 55.36 54.77 1mdk s GLN 78 Cb -0.15 -2.39 -0.03 0.00 1.00 0.00 0.00 33.01 31.44 1mdk s GLN 78 CO 0.10 0.31 0.00 -0.06 -2.12 0.00 0.00 175.29 173.53 1mdk s PHE 79 N 0.04 3.07 0.22 0.91 0.40 -0.64 -0.70 117.98 121.29 1mdk s PHE 79 Ca -0.07 -0.34 0.10 0.00 -0.60 0.00 0.00 56.93 56.02 1mdk s PHE 79 Cb -0.15 -2.06 -0.05 0.00 0.51 0.00 0.00 43.02 41.28 1mdk s PHE 79 CO 0.05 -0.14 -0.18 -0.06 0.70 0.00 0.00 175.22 175.59 1mdk s PHE 80 N 0.77 2.02 -0.23 0.36 0.08 0.29 -2.22 117.98 119.06 1mdk s PHE 80 Ca 0.00 -0.44 -0.09 0.00 0.12 0.00 0.00 56.93 56.53 1mdk s PHE 80 Cb -0.14 -0.93 0.09 0.00 -0.57 0.00 0.00 43.02 41.47 1mdk s PHE 80 CO 0.02 0.51 0.50 0.21 -0.10 0.00 0.00 175.22 176.36 1mdk s LYS 81 N -3.33 0.44 -1.70 0.44 2.20 0.22 -2.17 119.74 115.84 1mdk s LYS 81 Ca 0.24 1.11 0.00 0.00 -0.36 0.00 0.00 55.97 56.96 1mdk s LYS 81 Cb -0.04 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.65 1mdk s LYS 81 CO 0.10 -0.21 0.00 1.63 -0.36 0.00 0.00 175.35 176.51 1mdk n LYS 82 N 5.07 -1.74 -1.00 4.03 5.02 -1.26 0.30 118.16 128.58 1mdk n LYS 82 Ca -0.13 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 1mdk n LYS 82 Cb 0.52 -5.57 0.00 0.00 -0.02 0.00 0.00 35.03 29.95 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 -0.89 0.85 3.72 0.72 0.00 -1.26 -5.01 105.19 103.32 1mdk n GLY 83 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.01 2.85 0.16 1.61 -1.52 0.15 -5.09 119.66 117.80 1mdk s GLN 84 Ca 0.00 -0.60 -0.23 0.00 -1.95 0.00 0.00 55.36 52.58 1mdk s GLN 84 Cb 0.00 -2.72 -0.08 0.00 -0.22 0.00 0.00 33.01 30.00 1mdk s GLN 84 CO 0.00 0.62 0.72 0.21 -0.25 0.00 0.00 175.29 176.59 1mdk s LYS 85 N -1.73 4.41 0.00 2.91 2.20 -1.26 0.69 119.74 126.96 1mdk s LYS 85 Ca 0.22 1.00 0.00 0.00 -0.36 0.00 0.00 55.97 56.82 1mdk s LYS 85 Cb -0.12 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 1mdk s LYS 85 CO 0.13 0.54 0.00 1.33 -0.36 0.00 0.00 175.35 176.99 1mdk n VAL 86 N 1.40 0.00 -3.91 4.02 0.24 -0.94 -4.91 118.33 114.23 1mdk n VAL 86 Ca -0.06 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.28 1mdk n VAL 86 Cb 0.50 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 -1.56 -0.27 -0.19 7.63 0.00 -1.24 -5.04 107.32 106.64 1mdk s GLY 87 Ca 0.00 0.33 -0.33 0.00 0.00 0.00 0.00 44.72 44.72 1mdk s GLY 87 CO 0.00 5.02 1.18 -1.83 0.00 0.00 0.00 173.10 177.47 1mdk s GLU 88 N -2.03 0.34 -0.29 2.90 -1.05 -1.26 -1.62 118.70 115.70 1mdk s GLU 88 Ca 0.28 -0.05 -0.17 0.00 -0.15 0.00 0.00 54.97 54.87 1mdk s GLU 88 Cb 0.02 0.16 0.14 0.00 -0.44 0.00 0.00 34.13 34.01 1mdk s GLU 88 CO -0.03 -0.13 0.97 -0.59 0.95 0.00 0.00 175.26 176.43 1mdk s PHE 89 N -1.94 -0.58 0.00 4.83 -0.12 0.48 -5.00 117.98 115.65 1mdk s PHE 89 Ca 0.07 1.17 0.00 0.00 -0.05 0.00 0.00 56.93 58.12 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 -0.05 -0.28 0.00 -1.13 -0.05 0.00 0.00 175.22 173.71 1mdk n SER 90 N 3.55 0.26 -0.06 1.98 3.41 -1.26 -1.50 113.62 120.00 1mdk n SER 90 Ca -0.18 -0.68 0.00 0.00 -0.26 0.00 0.00 58.87 57.75 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 -1.13 3.55 5.00 0.00 -1.17 -4.78 105.19 111.66 1mdk n GLY 91 Ca 0.00 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 1mdk n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mdk n ALA 92 N 1.13 0.63 -3.25 4.61 0.00 -1.26 -4.79 120.51 117.59 1mdk n ALA 92 Ca 0.00 -1.02 -0.23 0.00 0.00 0.00 0.00 53.44 52.20 1mdk n ALA 92 Cb 0.00 -3.14 -0.07 0.00 0.00 0.00 0.00 19.45 16.24 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 16.00 -0.79 0.05 0.00 2.85 -1.26 -4.97 115.26 127.13 1mdk n ASN 93 Ca 0.43 -2.54 0.02 0.00 -0.11 0.00 0.00 54.58 52.37 1mdk n ASN 93 Cb 0.46 -0.21 0.37 0.00 1.24 0.00 0.00 39.78 41.64 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 5.13 0.40 0.00 1.20 -0.00 -1.97 -1.62 116.57 119.71 1mdk h LYS 94 Ca 0.18 -0.07 -0.04 0.00 -0.00 0.00 0.00 60.65 60.72 1mdk h LYS 94 Cb 0.93 -0.06 -0.01 0.00 -0.00 0.00 0.00 32.23 33.09 1mdk h LYS 94 CO 0.35 0.43 -0.20 0.93 -0.00 0.00 0.00 179.45 180.97 1mdk h GLU 95 N 0.39 0.00 -0.29 0.07 5.08 -2.00 -2.34 114.58 115.50 1mdk h GLU 95 Ca 0.09 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 1mdk h GLU 95 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1mdk h GLU 95 CO 0.01 0.20 -0.35 -0.22 -1.00 0.00 0.00 179.01 177.64 1mdk h LYS 96 N 0.00 0.64 -0.81 2.33 3.64 -1.71 -2.72 116.57 117.94 1mdk h LYS 96 Ca -0.00 -0.30 0.16 0.00 -1.27 0.00 0.00 60.65 59.23 1mdk h LYS 96 Cb 0.45 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.21 1mdk h LYS 96 CO 0.03 0.90 0.54 -0.07 -2.27 0.00 0.00 179.45 178.57 1mdk h LEU 97 N 0.54 0.44 0.50 5.20 3.38 -1.39 0.28 115.31 124.25 1mdk h LEU 97 Ca 0.06 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1mdk h LEU 97 Cb 0.86 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1mdk h LEU 97 CO 0.07 0.21 -0.24 -0.08 0.09 0.00 0.00 178.44 178.50 1mdk h GLU 98 N 0.46 -0.65 -0.88 1.13 4.81 -1.56 -0.47 114.58 117.42 1mdk h GLU 98 Ca 0.41 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.70 1mdk h GLU 98 Cb 0.91 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.39 1mdk h GLU 98 CO -0.15 -0.34 0.58 0.00 -0.73 0.00 0.00 179.01 178.37 1mdk h ALA 99 N -0.77 1.12 -0.28 2.92 0.00 -1.35 -1.38 119.26 119.52 1mdk h ALA 99 Ca -0.07 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1mdk h ALA 99 Cb 0.60 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1mdk h ALA 99 CO 0.11 0.49 -0.03 1.15 0.00 0.00 0.00 179.25 180.97 1mdk h THR 100 N 1.17 1.27 0.19 0.00 2.02 -0.49 -1.44 112.91 115.62 1mdk h THR 100 Ca 0.33 -1.02 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 1mdk h THR 100 Cb -0.10 1.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1mdk h THR 100 CO -0.08 0.32 -0.09 0.40 0.37 0.00 0.00 175.52 176.44 1mdk h ILE 101 N 0.29 0.83 0.00 3.11 2.04 -0.82 -0.48 117.51 122.47 1mdk h ILE 101 Ca 0.07 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1mdk h ILE 101 Cb 0.49 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 1mdk h ILE 101 CO 0.02 0.01 0.00 -1.13 0.00 0.00 0.00 178.15 177.05 1mdk h ASN 102 N -0.28 0.00 0.17 1.72 -0.73 -1.22 -0.45 115.58 114.79 1mdk h ASN 102 Ca -0.03 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.14 1mdk h ASN 102 Cb 0.21 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.81 1mdk h ASN 102 CO 0.04 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 4.57 0.04 -3.33 114.58 121.64 1mdk h GLU 103 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1mdk h GLU 103 Cb 0.07 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1mdk h GLU 103 CO 0.00 -0.13 0.00 1.28 -1.18 0.00 0.00 179.01 178.98 1mdk n LEU 104 N -4.93 3.53 0.00 1.64 4.77 -0.97 -5.10 117.00 115.94 1mdk n LEU 104 Ca -0.03 -1.79 0.03 0.00 -0.03 0.00 0.00 56.01 54.20 1mdk n LEU 104 Cb 0.10 -0.53 0.21 0.00 -2.33 0.00 0.00 43.42 40.87 1mdk n LEU 104 CO 0.08 0.52 0.44 0.55 -1.33 0.00 0.00 177.39 177.65