#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 5.11 -0.23 2.03 1.01 -1.26 -2.53 120.40 124.52 1mdk s VAL 2 Ca 0.00 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 1mdk s VAL 2 Cb 0.00 -3.86 0.09 0.00 0.00 0.00 0.00 36.38 32.61 1mdk s VAL 2 CO 0.00 -0.56 0.51 -0.75 0.00 0.00 0.00 175.10 174.30 1mdk s LYS 3 N -4.31 0.45 0.04 2.72 2.20 -0.77 -4.96 119.74 115.11 1mdk s LYS 3 Ca 0.40 1.13 -0.19 0.00 -0.36 0.00 0.00 55.97 56.95 1mdk s LYS 3 Cb -0.10 0.40 -0.06 0.00 -1.51 0.00 0.00 37.83 36.56 1mdk s LYS 3 CO 0.36 -0.21 0.56 -1.14 -0.36 0.00 0.00 175.35 174.56 1mdk s GLN 4 N 2.37 4.21 -0.41 4.03 0.74 -1.26 -1.36 119.66 127.99 1mdk s GLN 4 Ca -0.05 0.70 -0.04 0.00 0.05 0.00 0.00 55.36 56.01 1mdk s GLN 4 Cb -0.11 -3.27 0.10 0.00 1.10 0.00 0.00 33.01 30.84 1mdk s GLN 4 CO -0.15 0.56 0.21 0.42 -0.55 0.00 0.00 175.29 175.78 1mdk s ILE 5 N -0.81 3.51 -1.66 -2.34 -1.09 -0.27 -4.91 121.20 113.63 1mdk s ILE 5 Ca 0.29 -1.88 0.23 0.00 -2.23 0.00 0.00 60.65 57.06 1mdk s ILE 5 Cb -0.19 -3.32 -0.03 0.00 -1.58 0.00 0.00 42.46 37.34 1mdk s ILE 5 CO 0.18 -0.63 1.13 -0.62 -1.23 0.00 0.00 174.94 173.77 1mdk n GLU 6 N 4.68 0.77 -3.68 2.79 1.02 -1.26 -4.24 120.64 120.71 1mdk n GLU 6 Ca -0.05 -0.60 -0.14 0.00 -0.02 0.00 0.00 57.16 56.35 1mdk n GLU 6 Cb 0.42 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.28 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 -2.65 -0.30 0.58 1.62 1.04 -1.26 -4.53 113.70 108.20 1mdk s SER 7 Ca 0.16 0.12 0.29 0.00 0.48 0.00 0.00 55.95 57.00 1mdk s SER 7 Cb 0.18 0.40 1.49 0.00 0.10 0.00 0.00 66.02 68.18 1mdk s SER 7 CO 0.65 -0.58 1.92 0.50 0.98 0.00 0.00 173.24 176.71 1mdk h LYS 8 N 3.32 0.00 -0.39 4.02 3.64 -1.92 -0.83 116.57 124.41 1mdk h LYS 8 Ca -0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1mdk h LYS 8 Cb 1.19 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 1mdk h LYS 8 CO 0.42 0.00 0.25 1.15 -2.27 0.00 0.00 179.45 179.00 1mdk h THR 9 N 0.00 1.10 0.00 1.00 2.02 -2.00 -1.90 112.91 113.13 1mdk h THR 9 Ca 0.22 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 67.15 1mdk h THR 9 Cb 1.15 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1mdk h THR 9 CO -0.00 0.10 -0.29 0.00 0.37 0.00 0.00 175.52 175.70 1mdk h ALA 10 N 1.14 1.11 0.15 6.16 0.00 -1.54 -2.87 119.26 123.40 1mdk h ALA 10 Ca 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1mdk h ALA 10 Cb -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1mdk h ALA 10 CO -0.03 0.36 -0.08 0.35 0.00 0.00 0.00 179.25 179.85 1mdk h PHE 11 N 0.00 -0.20 -0.70 0.00 3.57 -1.18 0.21 116.94 118.64 1mdk h PHE 11 Ca -0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.58 1mdk h PHE 11 Cb 0.72 0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.46 1mdk h PHE 11 CO 0.00 -0.12 0.36 1.96 -2.23 0.00 0.00 178.31 178.28 1mdk h GLN 12 N -0.21 0.60 -0.67 1.11 4.20 -1.61 -0.55 115.11 117.98 1mdk h GLN 12 Ca -0.02 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.68 1mdk h GLN 12 Cb 0.16 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 1mdk h GLN 12 CO 0.03 0.40 0.44 0.93 -0.67 0.00 0.00 178.83 179.96 1mdk h GLU 13 N 0.62 0.80 -0.28 1.46 5.08 -1.44 -1.61 114.58 119.21 1mdk h GLU 13 Ca 0.34 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1mdk h GLU 13 Cb 0.33 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1mdk h GLU 13 CO -0.25 0.53 0.14 0.00 -1.00 0.00 0.00 179.01 178.43 1mdk h ALA 14 N 1.61 0.36 0.02 3.43 0.00 0.11 0.32 119.26 125.10 1mdk h ALA 14 Ca 0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1mdk h ALA 14 Cb 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1mdk h ALA 14 CO -0.07 -0.09 -0.01 -0.07 0.00 0.00 0.00 179.25 179.01 1mdk h LEU 15 N 0.33 -0.02 -0.73 0.00 3.38 -1.15 0.79 115.31 117.91 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 0.09 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1mdk h LEU 15 CO -0.01 0.16 0.27 -0.78 0.09 0.00 0.00 178.44 178.16 1mdk h ASP 16 N -0.20 1.03 1.59 -0.43 1.82 -1.22 -2.11 116.42 116.91 1mdk h ASP 16 Ca -0.00 -0.19 0.00 0.00 -0.39 0.00 0.00 57.03 56.45 1mdk h ASP 16 Cb 0.19 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 39.93 1mdk h ASP 16 CO 0.00 0.94 0.00 0.00 -1.61 0.00 0.00 179.24 178.58 1mdk h ALA 17 N 1.13 1.00 0.00 -0.78 0.00 -0.22 -3.09 119.26 117.30 1mdk h ALA 17 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 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 -1.89 1.59 -0.08 0.00 0.00 0.27 -4.94 120.51 115.47 1mdk n ALA 18 Ca 0.05 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1mdk n ALA 18 Cb 0.45 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 2.17 0.00 0.00 0.00 -1.17 -3.56 105.19 102.47 1mdk n GLY 19 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1mdk n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mdk n ASP 20 N 9.37 0.34 -4.65 1.61 2.03 -1.26 -4.43 116.55 119.56 1mdk n ASP 20 Ca 0.00 -1.10 -0.29 0.00 0.52 0.00 0.00 54.79 53.93 1mdk n ASP 20 Cb 0.00 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 40.59 1mdk n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1mdk s LYS 21 N -0.10 0.18 0.88 -0.67 1.02 -1.23 -4.76 119.74 115.05 1mdk s LYS 21 Ca 0.00 0.54 -0.11 0.00 0.02 0.00 0.00 55.97 56.42 1mdk s LYS 21 Cb 0.00 -1.71 0.12 0.00 -0.52 0.00 0.00 37.83 35.72 1mdk s LYS 21 CO 0.00 -2.90 1.11 -1.17 -0.92 0.00 0.00 175.35 171.47 1mdk s LEU 22 N -6.58 2.69 -0.25 3.17 0.20 -1.26 -4.70 118.68 111.96 1mdk s LEU 22 Ca 0.66 1.92 -0.03 0.00 0.69 0.00 0.00 54.13 57.37 1mdk s LEU 22 Cb -0.19 -4.38 0.11 0.00 -0.43 0.00 0.00 46.19 41.29 1mdk s LEU 22 CO 0.59 -2.73 0.21 -0.69 -0.29 0.00 0.00 176.35 173.44 1mdk s VAL 23 N -2.77 -0.27 -0.22 1.68 1.01 -0.93 -2.06 120.40 116.85 1mdk s VAL 23 Ca 0.64 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 62.15 1mdk s VAL 23 Cb -0.20 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 1mdk s VAL 23 CO 0.58 -0.41 0.12 -0.69 0.00 0.00 0.00 175.10 174.69 1mdk s VAL 24 N 2.27 5.10 -0.10 2.92 1.01 -0.74 -0.31 120.40 130.55 1mdk s VAL 24 Ca 0.08 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 1mdk s VAL 24 Cb -0.15 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1mdk s VAL 24 CO -0.24 0.40 0.03 -0.69 0.00 0.00 0.00 175.10 174.60 1mdk s VAL 25 N 0.76 4.56 -0.38 2.92 1.01 0.40 -1.36 120.40 128.30 1mdk s VAL 25 Ca 0.06 -0.15 -0.05 0.00 0.00 0.00 0.00 61.98 61.84 1mdk s VAL 25 Cb -0.13 -2.95 0.08 0.00 0.00 0.00 0.00 36.38 33.38 1mdk s VAL 25 CO 0.02 0.59 0.17 -0.62 0.00 0.00 0.00 175.10 175.26 1mdk s ASP 26 N -0.75 5.32 -1.22 3.32 2.15 -1.07 -2.42 116.67 122.00 1mdk s ASP 26 Ca 0.12 -1.60 -0.16 0.00 0.43 0.00 0.00 52.55 51.34 1mdk s ASP 26 Cb -0.12 -1.86 0.13 0.00 -0.30 0.00 0.00 42.92 40.77 1mdk s ASP 26 CO 0.02 -0.46 1.52 -0.36 -0.17 0.00 0.00 175.17 175.72 1mdk s PHE 27 N 1.29 3.23 0.10 -5.34 0.40 -1.03 -2.27 117.98 114.35 1mdk s PHE 27 Ca 0.03 -1.91 0.08 0.00 -0.60 0.00 0.00 56.93 54.53 1mdk s PHE 27 Cb -0.22 -4.47 -0.04 0.00 0.51 0.00 0.00 43.02 38.81 1mdk s PHE 27 CO -0.01 -1.55 -0.14 -1.12 0.70 0.00 0.00 175.22 173.11 1mdk s SER 28 N 3.37 4.16 -0.13 1.36 0.01 -1.16 -3.09 113.70 118.23 1mdk s SER 28 Ca 0.46 -0.44 -0.18 0.00 1.31 0.00 0.00 55.95 57.09 1mdk s SER 28 Cb -0.01 -0.72 -0.04 0.00 0.21 0.00 0.00 66.02 65.46 1mdk s SER 28 CO 0.02 0.19 0.49 0.00 0.41 0.00 0.00 173.24 174.35 1mdk s ALA 29 N -1.15 3.48 0.33 1.44 0.00 -1.26 -4.22 121.76 120.38 1mdk s ALA 29 Ca 0.19 -0.21 0.25 0.00 0.00 0.00 0.00 51.96 52.20 1mdk s ALA 29 Cb -0.11 -2.69 1.25 0.00 0.00 0.00 0.00 23.12 21.57 1mdk s ALA 29 CO 0.11 -0.08 1.98 0.00 0.00 0.00 0.00 175.76 177.78 1mdk h THR 30 N 4.79 0.61 0.00 0.00 1.03 -1.98 -2.45 112.91 114.91 1mdk h THR 30 Ca -0.40 -0.76 0.00 0.00 -0.01 0.00 0.00 66.41 65.25 1mdk h THR 30 Cb 1.18 1.49 0.00 0.00 -1.07 0.00 0.00 68.15 69.75 1mdk h THR 30 CO 0.75 0.17 -0.64 4.11 -0.01 0.00 0.00 175.52 179.90 1mdk h TRP 31 N 0.00 0.00 -3.30 0.00 5.08 -2.04 -3.46 115.95 112.24 1mdk h TRP 31 Ca -0.00 0.00 -0.58 0.00 1.08 0.00 0.00 58.89 59.39 1mdk h TRP 31 Cb 0.48 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.56 1mdk h TRP 31 CO 0.00 0.00 -0.17 0.00 -1.28 0.00 0.00 178.44 176.99 1mdk h GLY 33 N 6.56 -0.40 -0.31 0.00 0.00 -1.88 -2.79 103.07 104.24 1mdk h GLY 33 Ca -0.42 0.15 0.30 0.00 0.00 0.00 0.00 47.33 47.37 1mdk h GLY 33 CO 0.75 -0.15 0.73 -2.55 0.00 0.00 0.00 176.54 175.32 1mdk h PRO 34 N -0.94 0.27 0.14 4.80 0.11 -1.94 1.07 132.00 135.51 1mdk h PRO 34 Ca -0.04 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1mdk h PRO 34 Cb 0.50 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1mdk h PRO 34 CO 0.06 0.18 -0.07 0.00 -0.21 0.00 0.00 178.00 177.97 1mdk h ALA 35 N 1.58 -0.20 0.00 -0.75 0.00 -1.86 -3.26 119.26 114.77 1mdk h ALA 35 Ca 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1mdk h ALA 35 Cb 1.79 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.65 1mdk h ALA 35 CO -0.26 -0.19 0.00 -0.22 0.00 0.00 0.00 179.25 178.59 1mdk h LYS 36 N -0.99 0.00 0.00 0.00 3.64 -1.12 -1.88 116.57 116.21 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 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 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 -0.61 1.90 4.05 0.11 0.12 114.93 120.50 1mdk h MET 37 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1mdk h MET 37 Cb 0.01 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 1mdk h MET 37 CO 0.00 0.00 0.00 -0.89 0.23 0.00 0.00 176.91 176.25 1mdk n ILE 38 N -2.47 0.83 0.08 1.77 5.41 -0.71 -4.45 119.36 119.81 1mdk n ILE 38 Ca -0.02 -0.91 0.00 0.00 1.00 0.00 0.00 62.75 62.82 1mdk n ILE 38 Cb 0.05 0.67 0.32 0.00 -0.71 0.00 0.00 39.64 39.98 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 4.33 0.33 0.00 0.38 2.10 -1.15 -1.86 116.57 120.70 1mdk h LYS 39 Ca 0.00 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 1mdk h LYS 39 Cb 0.99 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 1mdk h LYS 39 CO 0.00 0.49 0.00 -2.30 -2.00 0.00 0.00 179.45 175.64 1mdk n PRO 40 N -4.22 0.18 0.00 0.07 -0.02 -1.26 -2.39 135.00 127.37 1mdk n PRO 40 Ca -0.00 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1mdk n PRO 40 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 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 -1.15 0.00 -0.32 6.00 3.01 -0.73 -4.11 117.46 120.16 1mdk n PHE 41 Ca 0.05 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.44 1mdk n PHE 41 Cb 0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.48 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 -0.06 1.38 3.57 -1.59 0.52 116.94 119.33 1mdk h PHE 42 Ca 0.00 0.10 -0.08 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 -0.32 1.25 -2.23 0.00 0.00 178.31 176.60 1mdk h HIS 43 N -0.10 0.12 -0.76 0.41 2.76 -1.70 -2.85 115.15 113.04 1mdk h HIS 43 Ca 0.22 -0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.31 1mdk h HIS 43 Cb 0.53 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.43 1mdk h HIS 43 CO -0.86 0.42 0.25 0.77 -1.30 0.00 0.00 177.93 177.21 1mdk h SER 44 N 0.10 1.09 0.00 3.26 0.02 -0.06 -1.88 113.55 116.09 1mdk h SER 44 Ca 0.01 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1mdk h SER 44 Cb 0.62 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1mdk h SER 44 CO 0.05 1.01 0.32 -0.07 -1.14 0.00 0.00 176.83 176.99 1mdk h LEU 45 N 1.13 0.00 -1.84 5.07 3.38 -0.71 0.19 115.31 122.53 1mdk h LEU 45 Ca 0.25 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.26 1mdk h LEU 45 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1mdk h LEU 45 CO -0.01 0.00 0.19 0.28 0.09 0.00 0.00 178.44 178.99 1mdk h SER 46 N 0.00 0.18 0.55 -0.43 0.02 -1.47 0.69 113.55 113.08 1mdk h SER 46 Ca 0.00 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1mdk h SER 46 Cb 0.64 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 1mdk h SER 46 CO 0.00 0.12 -1.45 -0.62 -1.14 0.00 0.00 176.83 173.74 1mdk n GLU 47 N -4.49 0.63 0.07 3.45 4.71 0.05 -3.57 120.64 121.50 1mdk n GLU 47 Ca 0.03 -0.02 0.09 0.00 -0.01 0.00 0.00 57.16 57.25 1mdk n GLU 47 Cb 0.21 -1.69 -0.04 0.00 -1.01 0.00 0.00 31.44 28.90 1mdk n GLU 47 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1mdk n LYS 48 N -2.50 0.62 -3.21 3.49 4.81 -0.68 -4.48 118.16 116.21 1mdk n LYS 48 Ca -0.02 0.09 -0.23 0.00 -0.87 0.00 0.00 58.31 57.28 1mdk n LYS 48 Cb 0.57 -1.77 -0.06 0.00 0.02 0.00 0.00 35.03 33.78 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 -2.65 0.62 0.58 5.64 4.01 0.23 -4.90 117.16 120.69 1mdk n TYR 49 Ca -0.03 -3.73 0.05 0.00 -0.16 0.00 0.00 57.90 54.03 1mdk n TYR 49 Cb 0.61 -0.41 0.29 0.00 -0.31 0.00 0.00 39.34 39.53 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 0.97 0.00 -0.66 7.72 3.41 -1.23 -1.19 113.62 122.63 1mdk n SER 50 Ca 0.24 -0.07 0.13 0.00 -0.26 0.00 0.00 58.87 58.91 1mdk n SER 50 Cb 0.53 -0.16 0.28 0.00 -0.26 0.00 0.00 64.21 64.60 1mdk n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1mdk n ASN 51 N -1.16 2.13 -4.48 4.04 2.85 -1.26 -4.74 115.26 112.63 1mdk n ASN 51 Ca 0.06 -1.65 -0.30 0.00 -0.11 0.00 0.00 54.58 52.59 1mdk n ASN 51 Cb 0.06 0.06 -0.12 0.00 1.24 0.00 0.00 39.78 41.03 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 -2.10 2.83 -0.21 3.44 1.01 -0.34 -4.59 120.40 120.45 1mdk s VAL 52 Ca 0.31 -1.46 -0.11 0.00 0.00 0.00 0.00 61.98 60.71 1mdk s VAL 52 Cb 0.20 -2.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1mdk s VAL 52 CO 0.36 0.13 0.17 -0.63 0.00 0.00 0.00 175.10 175.13 1mdk s ILE 53 N -1.11 5.37 -0.13 2.22 -1.09 -0.87 -4.48 121.20 121.10 1mdk s ILE 53 Ca 0.17 0.24 0.00 0.00 -2.23 0.00 0.00 60.65 58.84 1mdk s ILE 53 Cb -0.11 -3.51 -0.01 0.00 -1.58 0.00 0.00 42.46 37.25 1mdk s ILE 53 CO 0.09 0.39 -0.14 -0.36 -1.23 0.00 0.00 174.94 173.69 1mdk s PHE 54 N 0.70 2.79 0.42 3.97 0.08 -1.05 -1.80 117.98 123.09 1mdk s PHE 54 Ca 0.09 -0.75 0.07 0.00 0.12 0.00 0.00 56.93 56.46 1mdk s PHE 54 Cb -0.12 -1.85 -0.04 0.00 -0.57 0.00 0.00 43.02 40.44 1mdk s PHE 54 CO 0.02 -0.28 0.23 -0.51 -0.10 0.00 0.00 175.22 174.58 1mdk s LEU 55 N 0.46 3.14 -0.02 -0.37 1.02 -0.47 -1.84 118.68 120.61 1mdk s LEU 55 Ca -0.10 -1.03 -0.02 0.00 0.02 0.00 0.00 54.13 53.00 1mdk s LEU 55 Cb -0.16 -1.55 0.00 0.00 0.02 0.00 0.00 46.19 44.51 1mdk s LEU 55 CO 0.05 -0.60 0.05 -0.70 0.02 0.00 0.00 176.35 175.17 1mdk s GLU 56 N -3.97 0.12 -0.01 1.70 2.12 -0.46 -2.59 118.70 115.60 1mdk s GLU 56 Ca 0.42 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.73 1mdk s GLU 56 Cb 0.02 0.05 0.01 0.00 0.26 0.00 0.00 34.13 34.47 1mdk s GLU 56 CO 0.23 -0.02 -0.01 0.08 -0.54 0.00 0.00 175.26 175.01 1mdk s VAL 57 N -0.20 0.11 -0.47 3.70 1.01 -0.96 -1.11 120.40 122.47 1mdk s VAL 57 Ca -0.02 0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 1mdk s VAL 57 Cb -0.02 -0.15 0.06 0.00 0.00 0.00 0.00 36.38 36.28 1mdk s VAL 57 CO 0.00 0.07 0.44 -0.62 0.00 0.00 0.00 175.10 174.99 1mdk s ASP 58 N 0.37 6.16 0.00 3.32 2.15 -1.26 -2.96 116.67 124.45 1mdk s ASP 58 Ca -0.03 -1.18 0.01 0.00 0.43 0.00 0.00 52.55 51.78 1mdk s ASP 58 Cb -0.05 -2.21 0.07 0.00 -0.30 0.00 0.00 42.92 40.42 1mdk s ASP 58 CO -0.01 -0.68 0.91 1.33 -0.17 0.00 0.00 175.17 176.55 1mdk n VAL 59 N 5.30 1.37 -0.07 1.11 0.24 -1.26 0.06 118.33 125.07 1mdk n VAL 59 Ca -0.11 0.34 -0.10 0.00 -2.04 0.00 0.00 64.34 62.43 1mdk n VAL 59 Cb 0.44 -1.32 -0.07 0.00 -1.47 0.00 0.00 33.84 31.43 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 -1.36 2.79 0.05 -1.34 8.00 -1.26 -4.31 116.55 119.13 1mdk n ASP 60 Ca 0.01 -0.07 0.11 0.00 0.71 0.00 0.00 54.79 55.55 1mdk n ASP 60 Cb 0.01 -0.24 -0.05 0.00 -0.02 0.00 0.00 41.12 40.83 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 -2.96 0.54 -2.44 -2.24 2.03 -1.11 -4.20 116.55 106.18 1mdk n ASP 61 Ca -0.26 0.12 -0.28 0.00 0.52 0.00 0.00 54.79 54.89 1mdk n ASP 61 Cb 0.77 0.99 0.01 0.00 -0.72 0.00 0.00 41.12 42.17 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 -2.13 5.28 0.27 -1.67 0.00 0.11 -4.81 120.51 117.55 1mdk n ALA 62 Ca -0.01 -4.18 0.14 0.00 0.00 0.00 0.00 53.44 49.39 1mdk n ALA 62 Cb 0.53 -0.71 0.75 0.00 0.00 0.00 0.00 19.45 20.02 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 2.54 0.00 -0.30 0.00 4.20 -1.73 0.25 115.11 120.07 1mdk h GLN 63 Ca 0.35 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.92 1mdk h GLN 63 Cb 0.92 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1mdk h GLN 63 CO 0.93 0.00 -0.38 0.38 -0.67 0.00 0.00 178.83 179.09 1mdk h ASP 64 N 0.00 0.75 -0.02 1.46 2.03 -1.92 0.25 116.42 118.97 1mdk h ASP 64 Ca 0.00 -0.33 -0.07 0.00 -0.73 0.00 0.00 57.03 55.90 1mdk h ASP 64 Cb 0.45 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.75 1mdk h ASP 64 CO 0.00 1.04 -0.24 0.58 -1.03 0.00 0.00 179.24 179.59 1mdk h VAL 65 N 0.58 1.50 -0.30 4.15 2.07 -1.32 -2.61 116.25 120.32 1mdk h VAL 65 Ca 0.05 -1.81 -0.04 0.00 0.82 0.00 0.00 66.70 65.72 1mdk h VAL 65 Cb 0.91 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 33.25 1mdk h VAL 65 CO 0.08 0.50 -0.00 0.00 0.02 0.00 0.00 177.57 178.17 1mdk h ALA 66 N 0.33 1.45 0.17 1.67 0.00 -1.49 -0.76 119.26 120.63 1mdk h ALA 66 Ca -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1mdk h ALA 66 Cb 0.94 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1mdk h ALA 66 CO 0.05 0.39 -0.08 0.77 0.00 0.00 0.00 179.25 180.38 1mdk h SER 67 N 0.44 -0.19 0.06 0.00 0.02 -0.48 0.55 113.55 113.94 1mdk h SER 67 Ca 0.10 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.85 1mdk h SER 67 Cb 0.29 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1mdk h SER 67 CO 0.01 0.03 -0.16 -0.08 -1.14 0.00 0.00 176.83 175.49 1mdk h GLU 68 N -0.41 0.22 -0.00 3.45 4.81 -1.23 -2.04 114.58 119.38 1mdk h GLU 68 Ca -0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1mdk h GLU 68 Cb 0.32 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1mdk h GLU 68 CO 0.04 0.39 -0.29 0.00 -0.73 0.00 0.00 179.01 178.41 1mdk n ALA 69 N -2.49 3.13 -3.68 2.92 0.00 -0.31 -4.97 120.51 115.11 1mdk n ALA 69 Ca -0.01 -0.35 -0.27 0.00 0.00 0.00 0.00 53.44 52.82 1mdk n ALA 69 Cb 0.29 -1.18 0.02 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.00 -1.18 -2.92 0.00 1.02 0.19 -4.90 120.64 111.85 1mdk n GLU 70 Ca 0.10 0.66 -0.40 0.00 -0.02 0.00 0.00 57.16 57.50 1mdk n GLU 70 Cb 0.33 -3.50 -0.05 0.00 -0.02 0.00 0.00 31.44 28.20 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 -3.24 4.52 0.00 2.62 1.01 -1.09 -4.94 120.40 119.28 1mdk s VAL 71 Ca 0.24 1.76 0.00 0.00 0.00 0.00 0.00 61.98 63.99 1mdk s VAL 71 Cb -0.10 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1mdk s VAL 71 CO 0.87 0.42 0.06 0.29 0.00 0.00 0.00 175.10 176.75 1mdk n LYS 72 N 2.28 4.97 -3.69 2.72 4.01 -1.26 -5.03 118.16 122.16 1mdk n LYS 72 Ca -0.03 -0.06 -0.10 0.00 -0.51 0.00 0.00 58.31 57.61 1mdk n LYS 72 Cb 0.49 -0.50 -0.10 0.00 -0.51 0.00 0.00 35.03 34.41 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 -0.73 -1.19 0.12 7.82 0.00 -1.26 -5.16 121.76 121.36 1mdk s ALA 73 Ca 0.00 1.66 0.07 0.00 0.00 0.00 0.00 51.96 53.69 1mdk s ALA 73 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 1mdk s ALA 73 CO 0.00 -0.28 -0.07 0.95 0.00 0.00 0.00 175.76 176.36 1mdk s THR 74 N 1.34 3.50 0.30 0.00 -4.23 -1.26 -3.67 115.64 111.63 1mdk s THR 74 Ca -0.09 -1.30 -0.28 0.00 -1.18 0.00 0.00 61.69 58.85 1mdk s THR 74 Cb -0.07 -2.67 -0.09 0.00 1.34 0.00 0.00 72.50 71.00 1mdk s THR 74 CO -0.13 0.05 1.02 -2.16 -0.54 0.00 0.00 174.62 172.86 1mdk s PRO 75 N -2.41 4.59 -0.27 3.99 0.04 -1.26 -4.82 135.00 134.87 1mdk s PRO 75 Ca 0.23 1.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.82 1mdk s PRO 75 Cb -0.11 -3.01 0.03 0.00 0.04 0.00 0.00 34.50 31.45 1mdk s PRO 75 CO 0.15 0.23 -0.02 0.99 0.04 0.00 0.00 177.00 178.39 1mdk s THR 76 N -1.35 3.10 -0.23 1.26 2.01 -1.18 -3.01 115.64 116.24 1mdk s THR 76 Ca 0.47 -1.03 -0.19 0.00 0.31 0.00 0.00 61.69 61.26 1mdk s THR 76 Cb -0.26 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 1mdk s THR 76 CO 0.33 0.12 0.57 -0.36 -0.69 0.00 0.00 174.62 174.59 1mdk s PHE 77 N 1.34 3.32 -0.05 4.92 0.08 -0.50 -2.47 117.98 124.63 1mdk s PHE 77 Ca -0.00 0.78 0.06 0.00 0.12 0.00 0.00 56.93 57.89 1mdk s PHE 77 Cb -0.17 -2.75 -0.01 0.00 -0.57 0.00 0.00 43.02 39.52 1mdk s PHE 77 CO -0.03 -0.22 -0.23 -0.65 -0.10 0.00 0.00 175.22 173.99 1mdk s GLN 78 N 2.08 2.30 -0.15 0.44 -0.21 -1.01 -0.02 119.66 123.09 1mdk s GLN 78 Ca 0.25 -0.83 -0.04 0.00 0.02 0.00 0.00 55.36 54.75 1mdk s GLN 78 Cb -0.16 -1.99 -0.03 0.00 1.00 0.00 0.00 33.01 31.84 1mdk s GLN 78 CO 0.09 0.37 0.01 -0.06 -2.12 0.00 0.00 175.29 173.58 1mdk s PHE 79 N -0.17 3.14 0.17 0.91 0.40 -0.15 -0.46 117.98 121.83 1mdk s PHE 79 Ca -0.02 -0.04 0.09 0.00 -0.60 0.00 0.00 56.93 56.35 1mdk s PHE 79 Cb -0.13 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.41 1mdk s PHE 79 CO 0.03 0.16 -0.18 -0.06 0.70 0.00 0.00 175.22 175.87 1mdk s PHE 80 N 0.03 1.87 -0.24 0.36 0.40 0.58 -2.58 117.98 118.40 1mdk s PHE 80 Ca 0.03 -0.46 -0.09 0.00 -0.60 0.00 0.00 56.93 55.81 1mdk s PHE 80 Cb -0.13 -0.92 0.10 0.00 0.51 0.00 0.00 43.02 42.58 1mdk s PHE 80 CO 0.02 0.36 0.52 0.21 0.70 0.00 0.00 175.22 177.03 1mdk s LYS 81 N -2.88 0.45 -1.89 0.44 2.20 0.19 -2.18 119.74 116.08 1mdk s LYS 81 Ca 0.17 1.19 0.00 0.00 -0.36 0.00 0.00 55.97 56.97 1mdk s LYS 81 Cb -0.05 0.50 0.00 0.00 -1.51 0.00 0.00 37.83 36.77 1mdk s LYS 81 CO 0.07 -0.22 0.00 1.63 -0.36 0.00 0.00 175.35 176.47 1mdk n LYS 82 N 5.26 -1.42 -0.27 4.03 5.02 -1.26 0.00 118.16 129.53 1mdk n LYS 82 Ca -0.12 1.06 0.00 0.00 -2.02 0.00 0.00 58.31 57.24 1mdk n LYS 82 Cb 0.50 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 30.11 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 -0.31 0.68 3.64 0.72 0.00 -1.26 -4.96 105.19 103.70 1mdk n GLY 83 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.70 2.52 0.10 1.61 -1.52 0.10 -5.09 119.66 116.68 1mdk s GLN 84 Ca 0.00 -0.80 -0.22 0.00 -1.95 0.00 0.00 55.36 52.39 1mdk s GLN 84 Cb 0.00 -2.51 -0.07 0.00 -0.22 0.00 0.00 33.01 30.21 1mdk s GLN 84 CO 0.00 0.57 0.66 0.21 -0.25 0.00 0.00 175.29 176.48 1mdk s LYS 85 N -1.90 4.37 0.00 2.91 2.20 -1.26 0.55 119.74 126.61 1mdk s LYS 85 Ca 0.21 0.92 0.00 0.00 -0.36 0.00 0.00 55.97 56.74 1mdk s LYS 85 Cb -0.11 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 1mdk s LYS 85 CO 0.13 0.56 0.00 1.33 -0.36 0.00 0.00 175.35 177.01 1mdk n VAL 86 N 1.86 0.00 0.00 4.02 0.24 -1.06 -4.94 118.33 118.44 1mdk n VAL 86 Ca -0.08 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 1mdk n VAL 86 Cb 0.50 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.60 1mdk n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1mdk n GLY 87 N 1.54 0.08 3.58 7.63 0.00 -1.26 -5.04 105.19 111.72 1mdk n GLY 87 Ca 0.00 -0.87 -0.06 0.00 0.00 0.00 0.00 46.02 45.08 1mdk n GLY 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1mdk s GLU 88 N -2.00 0.43 -0.29 1.61 1.03 -1.26 -0.98 118.70 117.24 1mdk s GLU 88 Ca 0.00 -0.07 -0.19 0.00 0.03 0.00 0.00 54.97 54.73 1mdk s GLU 88 Cb 0.00 0.20 0.14 0.00 -0.80 0.00 0.00 34.13 33.67 1mdk s GLU 88 CO 0.00 -0.17 1.00 -0.59 -1.33 0.00 0.00 175.26 174.17 1mdk s PHE 89 N -2.07 -0.54 0.14 4.83 -0.12 0.97 -4.99 117.98 116.20 1mdk s PHE 89 Ca 0.06 1.15 0.02 0.00 -0.05 0.00 0.00 56.93 58.11 1mdk s PHE 89 Cb -0.01 0.36 0.02 0.00 -0.63 0.00 0.00 43.02 42.76 1mdk s PHE 89 CO -0.05 -0.26 0.17 -1.13 -0.05 0.00 0.00 175.22 173.90 1mdk n SER 90 N 3.17 0.76 -0.02 1.98 3.41 -1.26 -1.41 113.62 120.26 1mdk n SER 90 Ca -0.16 -1.40 0.00 0.00 -0.26 0.00 0.00 58.87 57.05 1mdk n SER 90 Cb 0.57 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 3.32 0.01 3.56 5.00 0.00 -1.16 -4.80 105.19 111.10 1mdk n GLY 91 Ca 0.03 -1.23 -0.22 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 s ALA 92 N -0.29 1.04 -0.40 4.61 0.00 -1.26 -4.77 121.76 120.68 1mdk s ALA 92 Ca 0.00 -0.46 0.06 0.00 0.00 0.00 0.00 51.96 51.56 1mdk s ALA 92 Cb 0.00 -4.49 0.20 0.00 0.00 0.00 0.00 23.12 18.84 1mdk s ALA 92 CO 0.00 -5.37 0.42 -1.71 0.00 0.00 0.00 175.76 169.10 1mdk n ASN 93 N 17.69 -0.25 0.07 0.00 2.85 -1.26 -4.96 115.26 129.40 1mdk n ASN 93 Ca 0.43 -2.51 0.03 0.00 -0.11 0.00 0.00 54.58 52.42 1mdk n ASN 93 Cb 0.48 -0.56 0.41 0.00 1.24 0.00 0.00 39.78 41.35 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 4.93 0.36 0.00 1.20 -0.00 -1.98 -1.03 116.57 120.05 1mdk h LYS 94 Ca 0.18 -0.05 -0.03 0.00 -0.00 0.00 0.00 60.65 60.74 1mdk h LYS 94 Cb 0.90 -0.07 -0.00 0.00 -0.00 0.00 0.00 32.23 33.06 1mdk h LYS 94 CO 0.41 0.36 -0.16 0.93 -0.00 0.00 0.00 179.45 180.98 1mdk h GLU 95 N 0.36 0.00 -0.38 0.07 5.08 -2.00 -2.31 114.58 115.41 1mdk h GLU 95 Ca 0.09 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.30 1mdk h GLU 95 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1mdk h GLU 95 CO -0.00 0.16 -0.34 -0.22 -1.00 0.00 0.00 179.01 177.62 1mdk h LYS 96 N 0.00 0.86 -0.94 2.33 3.64 -1.60 -2.84 116.57 118.02 1mdk h LYS 96 Ca -0.00 -0.42 0.15 0.00 -1.27 0.00 0.00 60.65 59.11 1mdk h LYS 96 Cb 0.41 -0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.15 1mdk h LYS 96 CO 0.02 1.06 0.60 -0.07 -2.27 0.00 0.00 179.45 178.79 1mdk h LEU 97 N 0.72 0.72 0.49 5.20 3.38 -1.38 0.46 115.31 124.90 1mdk h LEU 97 Ca 0.07 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1mdk h LEU 97 Cb 0.90 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1mdk h LEU 97 CO 0.08 0.35 -0.23 -0.08 0.09 0.00 0.00 178.44 178.65 1mdk h GLU 98 N 0.76 -0.63 -0.81 1.13 4.81 -1.56 0.10 114.58 118.38 1mdk h GLU 98 Ca 0.48 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 1mdk h GLU 98 Cb 0.72 0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.20 1mdk h GLU 98 CO -0.24 -0.32 0.52 0.00 -0.73 0.00 0.00 179.01 178.24 1mdk h ALA 99 N -0.57 1.03 -0.32 2.92 0.00 -1.28 -1.61 119.26 119.44 1mdk h ALA 99 Ca -0.07 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1mdk h ALA 99 Cb 0.59 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1mdk h ALA 99 CO 0.11 0.46 0.00 1.15 0.00 0.00 0.00 179.25 180.97 1mdk h THR 100 N 1.11 1.26 0.44 0.00 2.02 -0.07 -1.17 112.91 116.49 1mdk h THR 100 Ca 0.30 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1mdk h THR 100 Cb -0.10 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1mdk h THR 100 CO -0.06 0.31 -0.30 0.40 0.37 0.00 0.00 175.52 176.24 1mdk h ILE 101 N 0.36 0.39 0.00 3.11 2.04 -0.52 0.17 117.51 123.06 1mdk h ILE 101 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1mdk h ILE 101 Cb 0.44 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1mdk h ILE 101 CO 0.02 0.00 0.02 -1.13 0.00 0.00 0.00 178.15 177.05 1mdk h ASN 102 N -0.71 0.00 0.15 1.72 -0.73 -1.25 -0.19 115.58 114.57 1mdk h ASN 102 Ca -0.05 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.12 1mdk h ASN 102 Cb 0.60 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.19 1mdk h ASN 102 CO 0.03 0.00 -0.07 -0.08 -0.37 0.00 0.00 177.43 176.94 1mdk h GLU 103 N 0.00 -0.20 -0.62 6.67 4.57 0.32 -3.35 114.58 121.98 1mdk h GLU 103 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1mdk h GLU 103 Cb 0.04 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 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 -4.57 3.49 0.00 1.64 4.77 -0.85 -5.10 117.00 116.38 1mdk n LEU 104 Ca -0.03 -1.76 0.04 0.00 -0.03 0.00 0.00 56.01 54.23 1mdk n LEU 104 Cb 0.08 -0.50 0.22 0.00 -2.33 0.00 0.00 43.42 40.89 1mdk n LEU 104 CO 0.06 0.57 0.45 0.55 -1.33 0.00 0.00 177.39 177.69