#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 4.68 -0.23 2.03 1.01 -1.26 -2.64 120.40 123.99 1mdk s VAL 2 Ca 0.00 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 1mdk s VAL 2 Cb 0.00 -3.71 0.10 0.00 0.00 0.00 0.00 36.38 32.77 1mdk s VAL 2 CO 0.00 -0.45 0.52 -0.75 0.00 0.00 0.00 175.10 174.41 1mdk s LYS 3 N -4.37 0.45 0.03 2.72 2.36 -0.42 -4.94 119.74 115.57 1mdk s LYS 3 Ca 0.43 1.14 -0.19 0.00 -2.55 0.00 0.00 55.97 54.79 1mdk s LYS 3 Cb -0.10 0.40 -0.06 0.00 -1.05 0.00 0.00 37.83 37.03 1mdk s LYS 3 CO 0.36 -0.21 0.56 -1.14 1.55 0.00 0.00 175.35 176.47 1mdk s GLN 4 N 2.37 4.22 -0.21 4.03 0.74 -1.26 -2.13 119.66 127.42 1mdk s GLN 4 Ca -0.05 0.69 -0.07 0.00 0.05 0.00 0.00 55.36 55.98 1mdk s GLN 4 Cb -0.11 -3.28 -0.04 0.00 1.10 0.00 0.00 33.01 30.69 1mdk s GLN 4 CO -0.15 0.53 0.07 0.42 -0.55 0.00 0.00 175.29 175.61 1mdk s ILE 5 N -0.73 4.56 -0.25 -2.34 -1.09 -0.77 -4.91 121.20 115.66 1mdk s ILE 5 Ca 0.29 -0.10 0.13 0.00 -2.23 0.00 0.00 60.65 58.73 1mdk s ILE 5 Cb -0.19 -3.09 -0.17 0.00 -1.58 0.00 0.00 42.46 37.43 1mdk s ILE 5 CO 0.17 0.40 0.39 -0.62 -1.23 0.00 0.00 174.94 174.05 1mdk n GLU 6 N 4.19 1.40 -3.65 2.79 1.02 -1.26 -4.49 120.64 120.64 1mdk n GLU 6 Ca -0.16 -0.07 -0.11 0.00 -0.02 0.00 0.00 57.16 56.80 1mdk n GLU 6 Cb 0.52 -1.22 -0.05 0.00 -0.02 0.00 0.00 31.44 30.67 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 -2.96 -0.22 0.54 1.62 1.04 -1.26 -4.75 113.70 107.71 1mdk s SER 7 Ca -0.01 -0.28 0.29 0.00 0.48 0.00 0.00 55.95 56.44 1mdk s SER 7 Cb 0.09 0.45 1.46 0.00 0.10 0.00 0.00 66.02 68.12 1mdk s SER 7 CO 0.53 -0.81 1.92 0.50 0.98 0.00 0.00 173.24 176.36 1mdk h LYS 8 N 2.52 0.00 -0.39 4.02 3.64 -1.94 -0.57 116.57 123.85 1mdk h LYS 8 Ca -0.33 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.07 1mdk h LYS 8 Cb 1.24 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 1mdk h LYS 8 CO 0.47 0.00 0.22 1.15 -2.27 0.00 0.00 179.45 179.01 1mdk h THR 9 N 0.00 1.02 0.00 1.00 2.02 -2.02 -1.50 112.91 113.43 1mdk h THR 9 Ca 0.35 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 67.32 1mdk h THR 9 Cb 1.44 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 1mdk h THR 9 CO -0.00 0.08 -0.26 0.00 0.37 0.00 0.00 175.52 175.70 1mdk h ALA 10 N 1.18 1.11 0.41 6.16 0.00 -1.51 -2.95 119.26 123.66 1mdk h ALA 10 Ca 0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1mdk h ALA 10 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1mdk h ALA 10 CO -0.09 0.33 -0.22 0.35 0.00 0.00 0.00 179.25 179.62 1mdk h PHE 11 N 0.00 -0.59 -0.58 0.00 3.57 -1.01 0.32 116.94 118.64 1mdk h PHE 11 Ca -0.00 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.55 1mdk h PHE 11 Cb 0.69 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.58 1mdk h PHE 11 CO 0.00 -0.35 0.28 1.96 -2.23 0.00 0.00 178.31 177.97 1mdk h GLN 12 N -0.59 0.50 -0.61 1.11 4.20 -1.59 -0.58 115.11 117.55 1mdk h GLN 12 Ca -0.06 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.66 1mdk h GLN 12 Cb 0.46 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 1mdk h GLN 12 CO 0.08 0.33 0.41 0.93 -0.67 0.00 0.00 178.83 179.90 1mdk h GLU 13 N 0.51 0.69 -0.18 1.46 5.08 -1.41 -1.02 114.58 119.72 1mdk h GLU 13 Ca 0.27 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1mdk h GLU 13 Cb 0.24 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1mdk h GLU 13 CO -0.22 0.46 0.11 0.00 -1.00 0.00 0.00 179.01 178.36 1mdk h ALA 14 N 1.64 0.23 -0.68 3.43 0.00 0.13 0.16 119.26 124.18 1mdk h ALA 14 Ca 0.25 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1mdk h ALA 14 Cb 0.09 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1mdk h ALA 14 CO -0.07 -0.27 0.25 -0.07 0.00 0.00 0.00 179.25 179.10 1mdk h LEU 15 N 0.21 0.95 -0.31 0.00 3.38 -1.05 0.48 115.31 118.96 1mdk h LEU 15 Ca 0.06 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1mdk h LEU 15 Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1mdk h LEU 15 CO -0.01 0.87 0.06 -0.78 0.09 0.00 0.00 178.44 178.67 1mdk h ASP 16 N 0.97 0.48 1.27 -0.43 3.58 -0.84 -2.59 116.42 118.85 1mdk h ASP 16 Ca 0.22 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1mdk h ASP 16 Cb 0.23 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.15 1mdk h ASP 16 CO -0.02 0.60 0.00 0.00 -2.88 0.00 0.00 179.24 176.95 1mdk n ALA 17 N -2.33 2.27 0.51 -0.78 0.00 0.55 -3.18 120.51 117.55 1mdk n ALA 17 Ca -0.02 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.43 1mdk n ALA 17 Cb 0.20 -1.46 0.29 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.68 1.66 -0.41 0.00 0.00 0.17 -4.95 120.51 115.29 1mdk n ALA 18 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1mdk n ALA 18 Cb 0.39 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 -0.25 1.52 0.18 0.00 0.00 -1.19 -3.47 105.19 101.98 1mdk n GLY 19 Ca 0.05 -0.60 0.02 0.00 0.00 0.00 0.00 46.02 45.48 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 4.10 1.89 -4.71 1.61 2.03 -1.26 -4.35 116.55 115.86 1mdk n ASP 20 Ca 0.00 -1.65 -0.29 0.00 0.52 0.00 0.00 54.79 53.37 1mdk n ASP 20 Cb 0.00 -0.04 0.16 0.00 -0.72 0.00 0.00 41.12 40.51 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 -0.71 0.84 0.99 -0.67 1.02 -1.23 -4.78 119.74 115.19 1mdk s LYS 21 Ca 0.06 0.58 -0.11 0.00 0.02 0.00 0.00 55.97 56.52 1mdk s LYS 21 Cb 0.04 -1.78 0.18 0.00 -0.52 0.00 0.00 37.83 35.75 1mdk s LYS 21 CO 0.05 -2.47 1.09 -1.17 -0.92 0.00 0.00 175.35 171.93 1mdk s LEU 22 N -6.30 2.01 -0.23 3.17 0.20 -1.26 -4.68 118.68 111.58 1mdk s LEU 22 Ca 0.64 1.75 -0.03 0.00 0.69 0.00 0.00 54.13 57.19 1mdk s LEU 22 Cb -0.18 -4.00 0.10 0.00 -0.43 0.00 0.00 46.19 41.69 1mdk s LEU 22 CO 0.57 -3.31 0.23 -0.69 -0.29 0.00 0.00 176.35 172.86 1mdk s VAL 23 N -2.68 -0.32 -0.13 1.68 1.01 -0.82 -2.21 120.40 116.93 1mdk s VAL 23 Ca 0.66 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 1mdk s VAL 23 Cb -0.22 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1mdk s VAL 23 CO 0.60 -0.31 0.08 -0.69 0.00 0.00 0.00 175.10 174.78 1mdk s VAL 24 N 2.31 4.99 -0.08 2.92 1.01 -0.73 -0.59 120.40 130.23 1mdk s VAL 24 Ca 0.08 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1mdk s VAL 24 Cb -0.15 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 1mdk s VAL 24 CO -0.19 0.56 -0.12 -0.69 0.00 0.00 0.00 175.10 174.66 1mdk s VAL 25 N -0.50 3.18 -0.45 2.92 1.01 0.03 -1.25 120.40 125.34 1mdk s VAL 25 Ca 0.11 -0.66 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 1mdk s VAL 25 Cb -0.12 -2.29 0.10 0.00 0.00 0.00 0.00 36.38 34.08 1mdk s VAL 25 CO 0.02 0.57 0.32 -0.62 0.00 0.00 0.00 175.10 175.38 1mdk s ASP 26 N -0.39 5.68 -1.24 3.32 2.15 -1.10 -2.78 116.67 122.33 1mdk s ASP 26 Ca 0.04 -1.76 -0.14 0.00 0.43 0.00 0.00 52.55 51.12 1mdk s ASP 26 Cb -0.12 -2.00 0.15 0.00 -0.30 0.00 0.00 42.92 40.65 1mdk s ASP 26 CO 0.02 -0.64 1.53 0.49 -0.17 0.00 0.00 175.17 176.41 1mdk n PHE 27 N 4.91 4.74 -4.24 -5.34 3.01 -1.04 -2.11 117.46 117.40 1mdk n PHE 27 Ca -0.09 -3.23 -0.29 0.00 1.01 0.00 0.00 57.45 54.85 1mdk n PHE 27 Cb 0.41 -2.24 -0.10 0.00 -0.01 0.00 0.00 39.48 37.54 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 2.88 4.34 -0.11 4.37 0.01 -1.19 -3.04 113.70 120.97 1mdk s SER 28 Ca 0.44 -0.43 -0.19 0.00 1.31 0.00 0.00 55.95 57.08 1mdk s SER 28 Cb -0.01 -0.80 -0.04 0.00 0.21 0.00 0.00 66.02 65.38 1mdk s SER 28 CO 0.01 0.16 0.50 0.00 0.41 0.00 0.00 173.24 174.33 1mdk s ALA 29 N -1.31 3.46 0.37 1.44 0.00 -1.26 -4.16 121.76 120.30 1mdk s ALA 29 Ca 0.22 -0.15 0.16 0.00 0.00 0.00 0.00 51.96 52.19 1mdk s ALA 29 Cb -0.11 -2.68 0.87 0.00 0.00 0.00 0.00 23.12 21.20 1mdk s ALA 29 CO 0.14 -0.00 1.88 0.00 0.00 0.00 0.00 175.76 177.78 1mdk h THR 30 N 4.70 1.10 -0.00 0.00 1.03 -1.98 -2.55 112.91 115.21 1mdk h THR 30 Ca -0.41 -1.09 0.00 0.00 -0.01 0.00 0.00 66.41 64.90 1mdk h THR 30 Cb 1.18 1.61 0.00 0.00 -1.07 0.00 0.00 68.15 69.87 1mdk h THR 30 CO 0.75 0.30 -0.37 -2.67 -0.01 0.00 0.00 175.52 173.52 1mdk n TRP 31 N -4.01 0.00 -3.59 0.00 4.27 -1.26 -4.81 117.44 108.04 1mdk n TRP 31 Ca -0.02 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.23 1mdk n TRP 31 Cb 0.37 -0.25 -0.08 0.00 -1.36 0.00 0.00 31.31 29.98 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 -0.47 -0.01 0.00 0.00 -1.87 -2.66 103.07 105.04 1mdk h GLY 33 Ca -0.40 0.17 0.25 0.00 0.00 0.00 0.00 47.33 47.36 1mdk h GLY 33 CO 0.73 -0.17 0.66 -2.55 0.00 0.00 0.00 176.54 175.22 1mdk h PRO 34 N -0.90 0.33 0.10 4.80 0.11 -1.94 1.20 132.00 135.69 1mdk h PRO 34 Ca -0.05 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 1mdk h PRO 34 Cb 0.52 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1mdk h PRO 34 CO 0.07 0.22 -0.05 0.00 -0.21 0.00 0.00 178.00 178.04 1mdk h ALA 35 N 1.59 -0.20 -0.00 -0.75 0.00 -1.85 -3.28 119.26 114.77 1mdk h ALA 35 Ca 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1mdk h ALA 35 Cb 1.49 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1mdk h ALA 35 CO -0.22 -0.19 0.09 -0.22 0.00 0.00 0.00 179.25 178.71 1mdk h LYS 36 N -0.61 0.00 0.00 0.00 3.64 -1.16 -1.69 116.57 116.75 1mdk h LYS 36 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1mdk h LYS 36 Cb 0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1mdk h LYS 36 CO 0.02 0.00 0.00 1.98 -2.27 0.00 0.00 179.45 179.18 1mdk h MET 37 N 0.00 0.00 -0.33 1.90 4.05 0.14 -1.44 114.93 119.24 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 0.18 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 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 -3.04 0.44 0.08 1.77 5.41 -0.63 -4.43 119.36 118.95 1mdk n ILE 38 Ca -0.03 -0.72 0.01 0.00 1.00 0.00 0.00 62.75 63.01 1mdk n ILE 38 Cb 0.08 1.05 0.34 0.00 -0.71 0.00 0.00 39.64 40.40 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 4.39 0.34 0.00 0.38 2.10 -1.42 -2.33 116.57 120.03 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 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.26 1mdk h LYS 39 CO 0.00 0.46 0.08 -2.30 -2.00 0.00 0.00 179.45 175.69 1mdk n PRO 40 N -4.25 0.10 -0.03 0.07 -0.02 -1.26 -1.10 135.00 128.50 1mdk n PRO 40 Ca -0.00 0.58 -0.03 0.00 -2.02 0.00 0.00 63.50 62.03 1mdk n PRO 40 Cb 0.28 -1.90 -0.01 0.00 -0.02 0.00 0.00 33.50 31.85 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 -2.02 0.00 -0.19 6.00 3.01 -0.89 -3.49 117.46 119.87 1mdk n PHE 41 Ca -0.01 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.41 1mdk n PHE 41 Cb 0.10 -0.14 0.02 0.00 -0.01 0.00 0.00 39.48 39.45 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 -0.28 -0.74 -0.19 1.38 3.57 -1.43 0.20 116.94 119.46 1mdk h PHE 42 Ca 0.00 0.07 -0.10 0.00 3.53 0.00 0.00 57.97 61.47 1mdk h PHE 42 Cb 0.28 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1mdk h PHE 42 CO -0.12 -0.35 -0.30 1.25 -2.23 0.00 0.00 178.31 176.55 1mdk h HIS 43 N -0.13 0.42 -0.76 0.41 2.76 -1.37 -2.97 115.15 113.51 1mdk h HIS 43 Ca 0.25 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 1mdk h HIS 43 Cb 0.53 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 29.35 1mdk h HIS 43 CO -0.58 0.64 0.45 1.03 -1.30 0.00 0.00 177.93 178.17 1mdk h SER 44 N 0.32 0.92 0.00 3.26 0.87 -0.71 -0.57 113.55 117.64 1mdk h SER 44 Ca 0.04 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1mdk h SER 44 Cb 0.70 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1mdk h SER 44 CO 0.05 0.72 0.30 -0.07 -0.53 0.00 0.00 176.83 177.30 1mdk h LEU 45 N 1.04 0.00 -1.67 2.23 3.38 -0.98 0.56 115.31 119.88 1mdk h LEU 45 Ca 0.27 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.29 1mdk h LEU 45 Cb -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1mdk h LEU 45 CO -0.05 0.00 0.30 0.28 0.09 0.00 0.00 178.44 179.07 1mdk h SER 46 N 0.00 0.37 0.53 -0.43 0.02 -1.22 0.59 113.55 113.41 1mdk h SER 46 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1mdk h SER 46 Cb 0.60 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1mdk h SER 46 CO 0.00 0.25 -1.27 -0.62 -1.14 0.00 0.00 176.83 174.04 1mdk n GLU 47 N -4.48 0.51 0.06 3.45 1.02 0.19 -3.64 120.64 117.74 1mdk n GLU 47 Ca 0.06 -0.01 0.06 0.00 -0.02 0.00 0.00 57.16 57.25 1mdk n GLU 47 Cb 0.21 -1.66 -0.06 0.00 -0.02 0.00 0.00 31.44 29.91 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 -2.31 0.62 -3.26 3.49 4.81 -0.65 -4.49 118.16 116.37 1mdk n LYS 48 Ca -0.00 0.13 -0.25 0.00 -0.87 0.00 0.00 58.31 57.32 1mdk n LYS 48 Cb 0.51 -1.78 -0.07 0.00 0.02 0.00 0.00 35.03 33.71 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 -2.73 1.05 0.54 5.64 4.01 0.20 -4.90 117.16 120.97 1mdk n TYR 49 Ca -0.06 -3.77 0.05 0.00 -0.16 0.00 0.00 57.90 53.96 1mdk n TYR 49 Cb 0.70 -0.42 0.28 0.00 -0.31 0.00 0.00 39.34 39.59 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 1.14 0.00 -0.91 7.72 3.41 -1.24 -1.31 113.62 122.43 1mdk n SER 50 Ca 0.24 0.09 0.11 0.00 -0.26 0.00 0.00 58.87 59.06 1mdk n SER 50 Cb 0.49 -0.27 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 -1.27 2.72 -4.41 4.04 5.15 -1.26 -4.62 115.26 115.62 1mdk n ASN 51 Ca 0.05 -1.89 -0.29 0.00 -0.60 0.00 0.00 54.58 51.85 1mdk n ASN 51 Cb 0.09 -0.20 -0.13 0.00 -0.53 0.00 0.00 39.78 39.00 1mdk n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1mdk s VAL 52 N -1.59 2.38 -0.22 3.44 1.01 -0.43 -4.52 120.40 120.46 1mdk s VAL 52 Ca 0.36 -1.67 -0.09 0.00 0.00 0.00 0.00 61.98 60.58 1mdk s VAL 52 Cb 0.20 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 1mdk s VAL 52 CO 0.29 0.12 0.12 -0.63 0.00 0.00 0.00 175.10 175.00 1mdk s ILE 53 N -1.05 5.12 -0.09 2.22 -1.09 -0.94 -4.20 121.20 121.16 1mdk s ILE 53 Ca 0.15 0.09 0.02 0.00 -2.23 0.00 0.00 60.65 58.68 1mdk s ILE 53 Cb -0.10 -3.36 -0.02 0.00 -1.58 0.00 0.00 42.46 37.40 1mdk s ILE 53 CO 0.06 0.38 -0.14 -0.36 -1.23 0.00 0.00 174.94 173.66 1mdk s PHE 54 N 0.87 2.75 0.48 3.97 0.08 -1.08 -1.77 117.98 123.27 1mdk s PHE 54 Ca 0.06 -0.45 0.04 0.00 0.12 0.00 0.00 56.93 56.70 1mdk s PHE 54 Cb -0.13 -1.75 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 1mdk s PHE 54 CO 0.03 -0.05 0.13 -0.51 -0.10 0.00 0.00 175.22 174.72 1mdk s LEU 55 N -0.11 2.67 -0.04 -0.37 1.02 -0.38 -1.30 118.68 120.17 1mdk s LEU 55 Ca -0.02 -1.39 -0.06 0.00 0.02 0.00 0.00 54.13 52.69 1mdk s LEU 55 Cb -0.14 -1.02 0.01 0.00 0.02 0.00 0.00 46.19 45.06 1mdk s LEU 55 CO 0.04 -0.77 0.14 -0.70 0.02 0.00 0.00 176.35 175.08 1mdk s GLU 56 N -3.94 0.28 0.00 1.70 2.12 -0.91 -2.69 118.70 115.26 1mdk s GLU 56 Ca 0.25 0.00 -0.01 0.00 0.36 0.00 0.00 54.97 55.58 1mdk s GLU 56 Cb 0.03 0.12 -0.00 0.00 0.26 0.00 0.00 34.13 34.54 1mdk s GLU 56 CO 0.14 -0.05 0.01 0.08 -0.54 0.00 0.00 175.26 174.89 1mdk s VAL 57 N -0.41 0.03 -0.53 3.70 1.01 -0.90 -1.85 120.40 121.45 1mdk s VAL 57 Ca -0.05 -0.24 -0.16 0.00 0.00 0.00 0.00 61.98 61.53 1mdk s VAL 57 Cb -0.03 -0.10 0.12 0.00 0.00 0.00 0.00 36.38 36.37 1mdk s VAL 57 CO 0.01 -0.13 0.49 -0.62 0.00 0.00 0.00 175.10 174.84 1mdk s ASP 58 N -0.39 6.18 0.03 3.32 2.15 -1.26 -3.15 116.67 123.55 1mdk s ASP 58 Ca -0.04 -1.72 0.02 0.00 0.43 0.00 0.00 52.55 51.24 1mdk s ASP 58 Cb -0.03 -2.21 0.12 0.00 -0.30 0.00 0.00 42.92 40.51 1mdk s ASP 58 CO -0.00 -0.83 1.07 1.33 -0.17 0.00 0.00 175.17 176.57 1mdk n VAL 59 N 5.25 1.88 -0.11 1.11 0.24 -1.26 -0.05 118.33 125.38 1mdk n VAL 59 Ca -0.14 0.51 -0.17 0.00 -2.04 0.00 0.00 64.34 62.50 1mdk n VAL 59 Cb 0.41 -1.50 -0.10 0.00 -1.47 0.00 0.00 33.84 31.17 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 -1.56 2.16 0.02 -1.34 8.00 -1.26 -4.26 116.55 118.31 1mdk n ASP 60 Ca 0.00 -0.07 0.11 0.00 0.71 0.00 0.00 54.79 55.54 1mdk n ASP 60 Cb 0.01 -0.41 0.01 0.00 -0.02 0.00 0.00 41.12 40.72 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 -3.29 0.63 -2.42 -2.24 2.03 -1.09 -4.27 116.55 105.90 1mdk n ASP 61 Ca -0.41 -0.33 -0.26 0.00 0.52 0.00 0.00 54.79 54.31 1mdk n ASP 61 Cb 0.92 0.83 0.00 0.00 -0.72 0.00 0.00 41.12 42.15 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 -1.76 4.98 0.13 -1.67 0.00 0.92 -4.81 120.51 118.31 1mdk n ALA 62 Ca 0.02 -4.20 0.07 0.00 0.00 0.00 0.00 53.44 49.34 1mdk n ALA 62 Cb 0.42 -0.53 0.37 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.50 0.09 -0.08 0.00 6.02 -1.26 -0.96 117.38 120.69 1mdk n GLN 63 Ca 0.38 0.56 -0.14 0.00 -0.01 0.00 0.00 57.00 57.79 1mdk n GLN 63 Cb 0.71 -1.96 -0.05 0.00 1.02 0.00 0.00 30.24 29.96 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 0.76 -0.06 1.08 2.03 -1.92 0.41 116.42 118.71 1mdk h ASP 64 Ca 0.00 -0.50 -0.10 0.00 -0.73 0.00 0.00 57.03 55.70 1mdk h ASP 64 Cb 0.33 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 38.62 1mdk h ASP 64 CO 0.00 1.11 -0.34 0.58 -1.03 0.00 0.00 179.24 179.56 1mdk h VAL 65 N 0.43 1.43 -0.33 4.15 2.07 -1.43 -2.52 116.25 120.04 1mdk h VAL 65 Ca 0.03 -1.76 -0.05 0.00 0.82 0.00 0.00 66.70 65.74 1mdk h VAL 65 Cb 0.93 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 33.05 1mdk h VAL 65 CO 0.08 0.51 0.00 0.00 0.02 0.00 0.00 177.57 178.18 1mdk h ALA 66 N 0.41 1.39 -0.04 1.67 0.00 -1.53 -1.19 119.26 119.97 1mdk h ALA 66 Ca -0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1mdk h ALA 66 Cb 1.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1mdk h ALA 66 CO 0.07 0.43 0.01 0.77 0.00 0.00 0.00 179.25 180.53 1mdk h SER 67 N 0.49 0.06 -0.55 0.00 0.02 -0.13 1.51 113.55 114.95 1mdk h SER 67 Ca 0.11 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 1mdk h SER 67 Cb 0.32 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 1mdk h SER 67 CO 0.01 0.25 0.22 -0.08 -1.14 0.00 0.00 176.83 176.08 1mdk h GLU 68 N -0.14 0.86 -0.01 3.45 4.57 -1.19 -1.31 114.58 120.82 1mdk h GLU 68 Ca 0.01 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1mdk h GLU 68 Cb 0.21 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1mdk h GLU 68 CO -0.00 0.72 -0.16 0.00 -1.18 0.00 0.00 179.01 178.39 1mdk n ALA 69 N -2.45 2.89 -3.95 2.92 0.00 -0.47 -4.95 120.51 114.49 1mdk n ALA 69 Ca 0.05 -0.38 -0.29 0.00 0.00 0.00 0.00 53.44 52.82 1mdk n ALA 69 Cb 0.18 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.55 -2.39 -2.67 0.00 1.02 0.51 -4.89 120.64 111.66 1mdk n GLU 70 Ca 0.14 0.35 -0.41 0.00 -0.02 0.00 0.00 57.16 57.22 1mdk n GLU 70 Cb 0.33 -4.18 -0.04 0.00 -0.02 0.00 0.00 31.44 27.53 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 -3.88 4.53 0.00 2.62 1.01 -0.66 -4.91 120.40 119.11 1mdk s VAL 71 Ca 0.13 1.97 0.00 0.00 0.00 0.00 0.00 61.98 64.08 1mdk s VAL 71 Cb -0.05 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.07 1mdk s VAL 71 CO 0.90 0.24 0.64 0.29 0.00 0.00 0.00 175.10 177.18 1mdk n LYS 72 N 3.24 1.04 -3.71 2.72 5.02 -1.26 -4.94 118.16 120.27 1mdk n LYS 72 Ca 0.04 -0.85 -0.13 0.00 -2.02 0.00 0.00 58.31 55.36 1mdk n LYS 72 Cb 0.49 -0.81 -0.10 0.00 -0.02 0.00 0.00 35.03 34.60 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 -0.41 -1.14 0.12 7.82 0.00 -1.26 -5.17 121.76 121.72 1mdk s ALA 73 Ca 0.00 1.37 0.10 0.00 0.00 0.00 0.00 51.96 53.43 1mdk s ALA 73 Cb 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1mdk s ALA 73 CO 0.00 -0.23 -0.25 0.95 0.00 0.00 0.00 175.76 176.23 1mdk s THR 74 N 0.50 2.04 0.43 0.00 -4.23 -1.26 -3.76 115.64 109.36 1mdk s THR 74 Ca -0.02 -1.67 -0.22 0.00 -1.18 0.00 0.00 61.69 58.60 1mdk s THR 74 Cb -0.04 -1.82 -0.09 0.00 1.34 0.00 0.00 72.50 71.89 1mdk s THR 74 CO -0.03 0.03 1.01 -2.16 -0.54 0.00 0.00 174.62 172.94 1mdk s PRO 75 N -1.98 4.09 -0.23 3.99 0.04 -1.26 -4.81 135.00 134.84 1mdk s PRO 75 Ca 0.11 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1mdk s PRO 75 Cb -0.10 -2.33 0.03 0.00 0.04 0.00 0.00 34.50 32.14 1mdk s PRO 75 CO 0.05 -0.18 -0.12 0.99 0.04 0.00 0.00 177.00 177.79 1mdk s THR 76 N -1.88 2.48 -0.24 1.26 2.01 -1.17 -2.98 115.64 115.13 1mdk s THR 76 Ca 0.61 -1.11 -0.17 0.00 0.31 0.00 0.00 61.69 61.33 1mdk s THR 76 Cb -0.17 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.08 1mdk s THR 76 CO 0.21 0.27 0.48 -0.36 -0.69 0.00 0.00 174.62 174.53 1mdk s PHE 77 N 1.27 3.30 -0.04 4.92 0.08 -0.43 -2.49 117.98 124.59 1mdk s PHE 77 Ca -0.00 0.63 0.07 0.00 0.12 0.00 0.00 56.93 57.75 1mdk s PHE 77 Cb -0.16 -2.66 -0.02 0.00 -0.57 0.00 0.00 43.02 39.62 1mdk s PHE 77 CO -0.07 -0.19 -0.25 -0.65 -0.10 0.00 0.00 175.22 173.95 1mdk s GLN 78 N 1.98 2.32 -0.16 0.44 -0.21 -1.12 -0.38 119.66 122.53 1mdk s GLN 78 Ca 0.20 -0.91 -0.02 0.00 0.02 0.00 0.00 55.36 54.65 1mdk s GLN 78 Cb -0.15 -2.11 -0.02 0.00 1.00 0.00 0.00 33.01 31.73 1mdk s GLN 78 CO 0.09 0.48 -0.07 -0.06 -2.12 0.00 0.00 175.29 173.61 1mdk s PHE 79 N -0.41 2.93 0.18 0.91 0.40 -0.32 -0.79 117.98 120.89 1mdk s PHE 79 Ca 0.04 -0.55 0.08 0.00 -0.60 0.00 0.00 56.93 55.89 1mdk s PHE 79 Cb -0.12 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.42 1mdk s PHE 79 CO 0.01 -0.21 -0.16 -0.06 0.70 0.00 0.00 175.22 175.51 1mdk s PHE 80 N 0.60 1.71 -0.23 0.36 0.08 0.24 -2.20 117.98 118.54 1mdk s PHE 80 Ca -0.05 -0.53 -0.10 0.00 0.12 0.00 0.00 56.93 56.38 1mdk s PHE 80 Cb -0.15 -0.83 0.09 0.00 -0.57 0.00 0.00 43.02 41.57 1mdk s PHE 80 CO 0.03 0.32 0.53 0.21 -0.10 0.00 0.00 175.22 176.21 1mdk s LYS 81 N -3.20 0.47 -1.53 0.44 2.20 0.16 -1.94 119.74 116.35 1mdk s LYS 81 Ca 0.18 1.13 0.00 0.00 -0.36 0.00 0.00 55.97 56.92 1mdk s LYS 81 Cb -0.03 0.37 0.00 0.00 -1.51 0.00 0.00 37.83 36.66 1mdk s LYS 81 CO 0.06 -0.20 0.00 1.63 -0.36 0.00 0.00 175.35 176.48 1mdk n LYS 82 N 4.98 -1.83 -0.91 4.03 5.02 -1.26 -0.03 118.16 128.17 1mdk n LYS 82 Ca -0.15 0.86 0.00 0.00 -2.02 0.00 0.00 58.31 57.01 1mdk n LYS 82 Cb 0.52 -5.45 0.00 0.00 -0.02 0.00 0.00 35.03 30.08 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 -0.83 0.63 3.49 0.72 0.00 -1.26 -5.01 105.19 102.93 1mdk n GLY 83 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1mdk n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mdk s GLN 84 N -0.09 2.07 0.16 1.61 -0.21 0.96 -5.11 119.66 119.04 1mdk s GLN 84 Ca 0.00 -1.00 -0.23 0.00 0.02 0.00 0.00 55.36 54.15 1mdk s GLN 84 Cb 0.00 -2.22 -0.08 0.00 1.00 0.00 0.00 33.01 31.71 1mdk s GLN 84 CO 0.00 0.53 0.72 0.21 -2.12 0.00 0.00 175.29 174.63 1mdk s LYS 85 N -1.65 4.43 0.00 2.91 2.20 -1.26 0.40 119.74 126.77 1mdk s LYS 85 Ca 0.16 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.79 1mdk s LYS 85 Cb -0.11 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 1mdk s LYS 85 CO 0.07 0.56 0.00 1.33 -0.36 0.00 0.00 175.35 176.95 1mdk n VAL 86 N 1.47 0.00 -3.77 4.02 0.24 -0.93 -4.92 118.33 114.43 1mdk n VAL 86 Ca -0.06 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.26 1mdk n VAL 86 Cb 0.50 0.30 0.00 0.00 -1.47 0.00 0.00 33.84 33.17 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 -1.35 -0.29 -0.20 7.63 0.00 -1.25 -5.04 107.32 106.83 1mdk s GLY 87 Ca 0.00 0.41 -0.31 0.00 0.00 0.00 0.00 44.72 44.82 1mdk s GLY 87 CO 0.00 2.39 1.18 -1.83 0.00 0.00 0.00 173.10 174.84 1mdk s GLU 88 N -2.24 0.33 -0.29 2.90 -1.05 -1.26 -1.17 118.70 115.92 1mdk s GLU 88 Ca 0.20 -0.00 -0.21 0.00 -0.15 0.00 0.00 54.97 54.82 1mdk s GLU 88 Cb 0.03 0.16 0.14 0.00 -0.44 0.00 0.00 34.13 34.01 1mdk s GLU 88 CO -0.02 -0.12 1.05 -0.59 0.95 0.00 0.00 175.26 176.53 1mdk s PHE 89 N -1.59 -0.46 0.00 4.83 -0.12 0.49 -5.00 117.98 116.13 1mdk s PHE 89 Ca 0.06 1.02 0.00 0.00 -0.05 0.00 0.00 56.93 57.96 1mdk s PHE 89 Cb -0.01 0.35 0.00 0.00 -0.63 0.00 0.00 43.02 42.74 1mdk s PHE 89 CO -0.04 -0.23 0.00 -1.13 -0.05 0.00 0.00 175.22 173.77 1mdk n SER 90 N 2.84 0.66 -0.02 1.98 3.41 -1.26 -1.31 113.62 119.92 1mdk n SER 90 Ca -0.15 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.53 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 -0.35 3.54 5.00 0.00 -1.16 -4.77 105.19 112.45 1mdk n GLY 91 Ca 0.00 -1.20 -0.20 0.00 0.00 0.00 0.00 46.02 44.62 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 1.59 0.59 -3.28 4.61 0.00 -1.26 -4.74 120.51 118.02 1mdk n ALA 92 Ca 0.00 -1.13 -0.25 0.00 0.00 0.00 0.00 53.44 52.05 1mdk n ALA 92 Cb 0.00 -3.00 -0.08 0.00 0.00 0.00 0.00 19.45 16.37 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 14.66 -0.12 0.09 0.00 2.85 -1.26 -4.95 115.26 126.53 1mdk n ASN 93 Ca 0.52 -2.55 0.01 0.00 -0.11 0.00 0.00 54.58 52.45 1mdk n ASN 93 Cb 0.35 -0.60 0.34 0.00 1.24 0.00 0.00 39.78 41.11 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 4.71 0.29 -0.04 1.20 -0.00 -1.97 -2.37 116.57 118.40 1mdk h LYS 94 Ca 0.16 -0.08 -0.08 0.00 -0.00 0.00 0.00 60.65 60.65 1mdk h LYS 94 Cb 0.89 -0.03 -0.01 0.00 -0.00 0.00 0.00 32.23 33.08 1mdk h LYS 94 CO 0.42 0.46 -0.34 0.93 -0.00 0.00 0.00 179.45 180.93 1mdk h GLU 95 N 0.27 0.07 -0.19 0.07 5.08 -1.99 -2.50 114.58 115.39 1mdk h GLU 95 Ca 0.05 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1mdk h GLU 95 Cb 0.46 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1mdk h GLU 95 CO 0.03 0.40 -0.28 -0.22 -1.00 0.00 0.00 179.01 177.94 1mdk h LYS 96 N 0.06 0.36 -0.96 2.33 3.64 -1.84 -2.47 116.57 117.69 1mdk h LYS 96 Ca 0.01 -0.14 0.23 0.00 -1.27 0.00 0.00 60.65 59.48 1mdk h LYS 96 Cb 0.63 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.35 1mdk h LYS 96 CO 0.05 0.62 0.63 -0.07 -2.27 0.00 0.00 179.45 178.41 1mdk h LEU 97 N 0.32 0.41 0.50 5.20 3.38 -1.41 0.20 115.31 123.93 1mdk h LEU 97 Ca 0.05 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1mdk h LEU 97 Cb 0.67 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1mdk h LEU 97 CO 0.05 0.14 -0.24 -0.08 0.09 0.00 0.00 178.44 178.39 1mdk h GLU 98 N 0.40 -0.65 -0.99 1.13 4.81 -1.55 -1.31 114.58 116.41 1mdk h GLU 98 Ca 0.52 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.80 1mdk h GLU 98 Cb 1.32 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.80 1mdk h GLU 98 CO -0.21 -0.35 0.66 0.00 -0.73 0.00 0.00 179.01 178.37 1mdk h ALA 99 N -0.78 1.25 -0.23 2.92 0.00 -1.33 -1.42 119.26 119.67 1mdk h ALA 99 Ca -0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1mdk h ALA 99 Cb 0.60 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1mdk h ALA 99 CO 0.11 0.65 -0.03 1.15 0.00 0.00 0.00 179.25 181.13 1mdk h THR 100 N 1.34 1.27 0.05 0.00 2.02 -0.66 -1.85 112.91 115.09 1mdk h THR 100 Ca 0.36 -0.98 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 1mdk h THR 100 Cb -0.16 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1mdk h THR 100 CO -0.08 0.30 -0.02 0.40 0.37 0.00 0.00 175.52 176.49 1mdk h ILE 101 N 0.17 1.03 0.00 3.11 2.04 -1.03 -1.40 117.51 121.43 1mdk h ILE 101 Ca 0.06 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1mdk h ILE 101 Cb 0.46 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1mdk h ILE 101 CO 0.02 0.07 0.00 -1.13 0.00 0.00 0.00 178.15 177.10 1mdk h ASN 102 N -0.18 0.00 0.11 1.72 -1.24 -1.25 0.32 115.58 115.06 1mdk h ASN 102 Ca -0.01 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 1mdk h ASN 102 Cb 0.16 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.21 1mdk h ASN 102 CO 0.01 0.00 -0.05 -0.08 -1.29 0.00 0.00 177.43 176.02 1mdk h GLU 103 N 0.00 -0.15 -0.80 6.67 4.57 -0.39 -3.33 114.58 121.15 1mdk h GLU 103 Ca 0.00 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 1mdk h GLU 103 Cb 0.05 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 1mdk h GLU 103 CO 0.00 -0.10 0.08 1.28 -1.18 0.00 0.00 179.01 179.09 1mdk n LEU 104 N -4.69 4.13 0.00 1.64 4.77 -0.89 -5.11 117.00 116.86 1mdk n LEU 104 Ca -0.02 -2.12 0.03 0.00 -0.03 0.00 0.00 56.01 53.87 1mdk n LEU 104 Cb 0.06 -0.63 0.17 0.00 -2.33 0.00 0.00 43.42 40.69 1mdk n LEU 104 CO 0.05 0.55 0.41 0.55 -1.33 0.00 0.00 177.39 177.61