#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 -0.24 2.03 1.01 -1.26 -1.38 120.40 125.67 1mdk s VAL 2 Ca 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 1mdk s VAL 2 Cb 0.00 -3.86 0.10 0.00 0.00 0.00 0.00 36.38 32.62 1mdk s VAL 2 CO 0.00 -0.55 0.52 -0.75 0.00 0.00 0.00 175.10 174.33 1mdk s LYS 3 N -4.29 0.46 -0.03 2.72 2.47 -0.32 -4.92 119.74 115.84 1mdk s LYS 3 Ca 0.40 1.17 -0.20 0.00 -1.56 0.00 0.00 55.97 55.78 1mdk s LYS 3 Cb -0.10 0.45 -0.05 0.00 -1.46 0.00 0.00 37.83 36.68 1mdk s LYS 3 CO 0.36 -0.21 0.56 -1.14 0.16 0.00 0.00 175.35 175.07 1mdk s GLN 4 N 2.46 4.29 -0.37 4.03 0.74 -1.26 -1.27 119.66 128.28 1mdk s GLN 4 Ca -0.05 0.65 -0.08 0.00 0.05 0.00 0.00 55.36 55.93 1mdk s GLN 4 Cb -0.11 -3.36 0.05 0.00 1.10 0.00 0.00 33.01 30.69 1mdk s GLN 4 CO -0.16 0.34 0.16 0.42 -0.55 0.00 0.00 175.29 175.50 1mdk s ILE 5 N -0.05 4.04 -0.87 -2.34 -1.09 -0.28 -4.90 121.20 115.72 1mdk s ILE 5 Ca 0.30 -1.16 0.21 0.00 -2.23 0.00 0.00 60.65 57.77 1mdk s ILE 5 Cb -0.17 -3.33 -0.24 0.00 -1.58 0.00 0.00 42.46 37.13 1mdk s ILE 5 CO 0.15 -0.28 0.84 -0.62 -1.23 0.00 0.00 174.94 173.80 1mdk n GLU 6 N 4.87 0.15 -3.68 2.79 1.02 -1.26 -4.34 120.64 120.18 1mdk n GLU 6 Ca -0.11 -0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 56.87 1mdk n GLU 6 Cb 0.44 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.30 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 -3.16 -0.28 0.59 1.62 1.04 -1.26 -4.72 113.70 107.53 1mdk s SER 7 Ca 0.06 0.07 0.29 0.00 0.48 0.00 0.00 55.95 56.85 1mdk s SER 7 Cb 0.16 0.40 1.48 0.00 0.10 0.00 0.00 66.02 68.16 1mdk s SER 7 CO 0.86 -0.60 1.90 0.50 0.98 0.00 0.00 173.24 176.88 1mdk h LYS 8 N 3.25 0.00 -0.27 4.02 3.64 -1.93 -0.52 116.57 124.77 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 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1mdk h LYS 8 CO 0.42 0.00 0.17 1.15 -2.27 0.00 0.00 179.45 178.93 1mdk h THR 9 N 0.00 1.08 0.00 1.00 2.02 -2.01 -1.91 112.91 113.09 1mdk h THR 9 Ca 0.20 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 1mdk h THR 9 Cb 1.15 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1mdk h THR 9 CO -0.00 0.07 -0.28 0.00 0.37 0.00 0.00 175.52 175.68 1mdk h ALA 10 N 1.09 1.16 0.13 6.16 0.00 -1.49 -2.77 119.26 123.53 1mdk h ALA 10 Ca 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1mdk h ALA 10 Cb -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1mdk h ALA 10 CO -0.02 0.35 -0.06 0.35 0.00 0.00 0.00 179.25 179.87 1mdk h PHE 11 N 0.00 -0.16 -0.90 0.00 3.57 -1.17 0.18 116.94 118.46 1mdk h PHE 11 Ca -0.00 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.59 1mdk h PHE 11 Cb 0.67 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.39 1mdk h PHE 11 CO 0.00 -0.10 0.54 -0.56 -2.23 0.00 0.00 178.31 175.96 1mdk h GLN 12 N -0.17 0.88 -0.91 1.11 3.07 -1.59 -0.32 115.11 117.18 1mdk h GLN 12 Ca -0.02 -0.05 0.03 0.00 0.09 0.00 0.00 58.65 58.70 1mdk h GLN 12 Cb 0.13 -0.20 -0.05 0.00 0.08 0.00 0.00 27.48 27.44 1mdk h GLN 12 CO 0.03 0.58 0.60 0.93 0.09 0.00 0.00 178.83 181.06 1mdk h GLU 13 N 0.91 1.12 -0.44 0.06 5.08 -1.41 -1.32 114.58 118.58 1mdk h GLU 13 Ca 0.43 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1mdk h GLU 13 Cb 0.36 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1mdk h GLU 13 CO -0.24 0.74 0.26 0.00 -1.00 0.00 0.00 179.01 178.77 1mdk h ALA 14 N 1.46 0.57 -0.26 3.43 0.00 0.11 0.52 119.26 125.10 1mdk h ALA 14 Ca 0.35 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1mdk h ALA 14 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1mdk h ALA 14 CO -0.10 0.07 0.09 -0.07 0.00 0.00 0.00 179.25 179.24 1mdk h LEU 15 N 0.58 0.37 -0.50 0.00 3.38 -1.03 0.49 115.31 118.60 1mdk h LEU 15 Ca 0.16 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1mdk h LEU 15 Cb 0.02 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1mdk h LEU 15 CO -0.03 0.46 0.14 -0.78 0.09 0.00 0.00 178.44 178.32 1mdk h ASP 16 N 0.26 0.74 1.26 -0.43 1.82 -1.06 -2.40 116.42 116.62 1mdk h ASP 16 Ca 0.09 -0.22 0.00 0.00 -0.39 0.00 0.00 57.03 56.51 1mdk h ASP 16 Cb 0.21 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.03 1mdk h ASP 16 CO -0.00 0.76 0.00 0.00 -1.61 0.00 0.00 179.24 178.39 1mdk n ALA 17 N -2.37 2.28 0.46 -0.78 0.00 0.16 -3.20 120.51 117.07 1mdk n ALA 17 Ca 0.02 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.46 1mdk n ALA 17 Cb 0.20 -1.47 0.27 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.67 1.60 -0.40 0.00 0.00 0.17 -4.93 120.51 115.29 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 -1.19 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 -0.27 2.64 0.00 0.00 0.00 -1.19 -3.24 105.19 103.13 1mdk n GLY 19 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 9.53 0.44 -4.69 1.61 2.03 -1.26 -4.40 116.55 119.81 1mdk n ASP 20 Ca 0.00 -1.13 -0.30 0.00 0.52 0.00 0.00 54.79 53.88 1mdk n ASP 20 Cb 0.00 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 40.55 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 -0.13 0.98 0.81 -0.67 1.02 -1.20 -4.80 119.74 115.75 1mdk s LYS 21 Ca 0.00 0.83 -0.12 0.00 0.02 0.00 0.00 55.97 56.70 1mdk s LYS 21 Cb 0.00 -1.78 0.08 0.00 -0.52 0.00 0.00 37.83 35.62 1mdk s LYS 21 CO 0.00 -2.44 1.15 -1.17 -0.92 0.00 0.00 175.35 171.98 1mdk s LEU 22 N -6.35 3.07 -0.21 3.17 0.20 -1.26 -4.73 118.68 112.57 1mdk s LEU 22 Ca 0.64 2.15 -0.04 0.00 0.69 0.00 0.00 54.13 57.57 1mdk s LEU 22 Cb -0.19 -4.56 0.08 0.00 -0.43 0.00 0.00 46.19 41.09 1mdk s LEU 22 CO 0.58 -2.52 0.15 -0.69 -0.29 0.00 0.00 176.35 173.58 1mdk s VAL 23 N -2.48 -0.18 -0.15 1.68 1.01 -0.97 -1.87 120.40 117.45 1mdk s VAL 23 Ca 0.68 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 62.29 1mdk s VAL 23 Cb -0.23 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1mdk s VAL 23 CO 0.52 -0.37 0.06 -0.69 0.00 0.00 0.00 175.10 174.63 1mdk s VAL 24 N 2.20 4.83 -0.12 2.92 1.01 -0.84 -0.56 120.40 129.85 1mdk s VAL 24 Ca 0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 1mdk s VAL 24 Cb -0.16 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1mdk s VAL 24 CO -0.18 0.52 -0.08 -0.69 0.00 0.00 0.00 175.10 174.67 1mdk s VAL 25 N -0.13 3.55 -0.46 2.92 1.01 -0.09 -1.69 120.40 125.51 1mdk s VAL 25 Ca 0.07 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 1mdk s VAL 25 Cb -0.12 -2.50 0.10 0.00 0.00 0.00 0.00 36.38 33.87 1mdk s VAL 25 CO 0.01 0.54 0.35 -0.62 0.00 0.00 0.00 175.10 175.38 1mdk s ASP 26 N -0.06 5.81 -1.25 3.32 2.15 -1.14 -2.63 116.67 122.87 1mdk s ASP 26 Ca -0.00 -1.69 -0.15 0.00 0.43 0.00 0.00 52.55 51.15 1mdk s ASP 26 Cb -0.13 -2.06 0.14 0.00 -0.30 0.00 0.00 42.92 40.57 1mdk s ASP 26 CO 0.03 -0.66 1.58 0.49 -0.17 0.00 0.00 175.17 176.44 1mdk n PHE 27 N 5.00 4.69 -2.78 -5.34 3.01 -0.92 -2.46 117.46 118.66 1mdk n PHE 27 Ca -0.10 -3.16 0.00 0.00 1.01 0.00 0.00 57.45 55.20 1mdk n PHE 27 Cb 0.42 -2.31 0.00 0.00 -0.01 0.00 0.00 39.48 37.57 1mdk n PHE 27 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1mdk n SER 28 N 6.31 0.67 -3.69 4.37 7.64 -1.17 -2.66 113.62 125.09 1mdk n SER 28 Ca 0.41 -0.45 -0.18 0.00 1.01 0.00 0.00 58.87 59.67 1mdk n SER 28 Cb 0.43 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.46 1mdk n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mdk s ALA 29 N -2.00 0.05 0.46 -0.43 0.00 -1.26 -3.26 121.76 115.31 1mdk s ALA 29 Ca 0.00 0.36 0.27 0.00 0.00 0.00 0.00 51.96 52.59 1mdk s ALA 29 Cb 0.00 -0.59 1.52 0.00 0.00 0.00 0.00 23.12 24.05 1mdk s ALA 29 CO 0.00 -0.41 2.11 0.00 0.00 0.00 0.00 175.76 177.46 1mdk h THR 30 N 6.36 0.58 0.00 0.00 1.03 -1.99 -1.78 112.91 117.10 1mdk h THR 30 Ca -0.21 -0.41 0.00 0.00 -0.01 0.00 0.00 66.41 65.78 1mdk h THR 30 Cb 1.12 1.26 0.00 0.00 -1.07 0.00 0.00 68.15 69.46 1mdk h THR 30 CO 0.23 0.09 -0.65 4.11 -0.01 0.00 0.00 175.52 179.30 1mdk h TRP 31 N 0.00 0.00 -3.34 0.00 5.08 -2.04 -3.45 115.95 112.20 1mdk h TRP 31 Ca -0.00 0.00 -0.59 0.00 1.08 0.00 0.00 58.89 59.38 1mdk h TRP 31 Cb 0.26 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 26.31 1mdk h TRP 31 CO 0.00 0.00 -0.30 0.00 -1.28 0.00 0.00 178.44 176.86 1mdk h GLY 33 N 6.87 -0.23 -0.23 0.00 0.00 -1.87 -2.77 103.07 104.84 1mdk h GLY 33 Ca -0.40 0.09 0.29 0.00 0.00 0.00 0.00 47.33 47.31 1mdk h GLY 33 CO 0.75 -0.08 0.73 -2.55 0.00 0.00 0.00 176.54 175.38 1mdk h PRO 34 N -0.82 0.24 0.08 4.80 0.11 -1.94 1.02 132.00 135.50 1mdk h PRO 34 Ca -0.02 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1mdk h PRO 34 Cb 0.53 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.58 1mdk h PRO 34 CO 0.04 0.16 -0.04 0.00 -0.21 0.00 0.00 178.00 177.95 1mdk h ALA 35 N 1.56 -0.10 -0.01 -0.75 0.00 -1.86 -3.26 119.26 114.83 1mdk h ALA 35 Ca 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1mdk h ALA 35 Cb 1.77 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 1mdk h ALA 35 CO -0.21 -0.10 0.06 -0.22 0.00 0.00 0.00 179.25 178.78 1mdk h LYS 36 N -1.02 0.00 -0.02 0.00 3.64 -1.09 -1.39 116.57 116.70 1mdk h LYS 36 Ca -0.01 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1mdk h LYS 36 Cb 0.19 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1mdk h LYS 36 CO 0.02 0.00 0.10 1.98 -2.27 0.00 0.00 179.45 179.27 1mdk h MET 37 N 0.00 0.00 -0.16 1.90 4.05 0.10 0.12 114.93 120.93 1mdk h MET 37 Ca 0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1mdk h MET 37 Cb 0.13 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.93 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 -3.21 0.19 -0.03 1.77 5.41 -0.52 -4.35 119.36 118.62 1mdk n ILE 38 Ca -0.02 -0.52 0.02 0.00 1.00 0.00 0.00 62.75 63.23 1mdk n ILE 38 Cb 0.17 1.03 0.36 0.00 -0.71 0.00 0.00 39.64 40.49 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 3.96 0.61 0.00 0.38 2.10 -0.91 -1.36 116.57 121.34 1mdk h LYS 39 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1mdk h LYS 39 Cb 0.85 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 1mdk h LYS 39 CO 0.00 0.46 0.00 -0.35 -2.00 0.00 0.00 179.45 177.56 1mdk n PRO 40 N -4.41 0.08 0.00 0.07 -0.05 -1.26 -2.09 135.00 127.33 1mdk n PRO 40 Ca 0.03 0.24 0.00 0.00 -0.05 0.00 0.00 63.50 63.73 1mdk n PRO 40 Cb 0.11 -1.50 0.00 0.00 -0.05 0.00 0.00 33.50 32.06 1mdk n PRO 40 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1mdk n PHE 41 N -1.30 0.00 -0.19 0.54 3.01 -0.55 -4.06 117.46 114.92 1mdk n PHE 41 Ca 0.03 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.40 1mdk n PHE 41 Cb 0.05 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.47 1mdk n PHE 41 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 1mdk h PHE 42 N 0.00 -1.30 -0.11 1.38 3.57 -1.55 0.24 116.94 119.17 1mdk h PHE 42 Ca 0.00 0.08 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 1mdk h PHE 42 Cb 0.00 0.64 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1mdk h PHE 42 CO 0.00 -0.43 -0.29 1.25 -2.23 0.00 0.00 178.31 176.61 1mdk h HIS 43 N -0.26 0.22 -0.74 0.41 2.76 -1.64 -2.84 115.15 113.07 1mdk h HIS 43 Ca 0.16 -0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.23 1mdk h HIS 43 Cb 0.57 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.44 1mdk h HIS 43 CO -0.69 0.48 0.23 1.03 -1.30 0.00 0.00 177.93 177.67 1mdk h SER 44 N 0.18 1.07 0.00 3.26 0.87 -0.63 -2.03 113.55 116.26 1mdk h SER 44 Ca 0.03 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1mdk h SER 44 Cb 0.62 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1mdk h SER 44 CO 0.04 0.99 0.30 0.18 -0.53 0.00 0.00 176.83 177.82 1mdk n LEU 45 N -4.25 0.19 -0.20 2.23 4.77 0.32 -0.85 117.00 119.21 1mdk n LEU 45 Ca 0.06 0.43 0.05 0.00 -0.03 0.00 0.00 56.01 56.52 1mdk n LEU 45 Cb 0.23 -0.38 0.32 0.00 -2.33 0.00 0.00 43.42 41.26 1mdk n LEU 45 CO 0.42 -0.49 1.22 0.28 -1.33 0.00 0.00 177.39 177.49 1mdk h SER 46 N 0.00 0.72 0.53 -1.43 0.02 -1.51 0.59 113.55 112.47 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 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1mdk h SER 46 CO 0.00 0.47 -1.19 -0.62 -1.14 0.00 0.00 176.83 174.36 1mdk n GLU 47 N -4.48 0.45 0.06 3.45 1.02 -0.03 -3.60 120.64 117.51 1mdk n GLU 47 Ca 0.11 -0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.29 1mdk n GLU 47 Cb 0.20 -1.65 -0.06 0.00 -0.02 0.00 0.00 31.44 29.92 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 -2.23 0.62 -3.29 3.49 4.81 -0.74 -4.50 118.16 116.31 1mdk n LYS 48 Ca 0.00 0.17 -0.25 0.00 -0.87 0.00 0.00 58.31 57.36 1mdk n LYS 48 Cb 0.49 -1.80 -0.08 0.00 0.02 0.00 0.00 35.03 33.67 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 -2.78 0.52 0.57 5.64 4.01 0.20 -4.91 117.16 120.41 1mdk n TYR 49 Ca -0.06 -3.68 0.05 0.00 -0.16 0.00 0.00 57.90 54.05 1mdk n TYR 49 Cb 0.72 -0.32 0.29 0.00 -0.31 0.00 0.00 39.34 39.72 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 1.51 0.00 -0.75 7.72 3.41 -1.24 -1.22 113.62 123.06 1mdk n SER 50 Ca 0.24 -0.06 0.13 0.00 -0.26 0.00 0.00 58.87 58.92 1mdk n SER 50 Cb 0.49 -0.17 0.28 0.00 -0.26 0.00 0.00 64.21 64.55 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 -1.17 2.35 -4.53 4.04 2.85 -1.26 -4.66 115.26 112.88 1mdk n ASN 51 Ca 0.06 -1.78 -0.30 0.00 -0.11 0.00 0.00 54.58 52.45 1mdk n ASN 51 Cb 0.06 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 40.98 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 -2.01 3.10 -0.24 3.44 1.01 -0.36 -4.49 120.40 120.86 1mdk s VAL 52 Ca 0.32 -1.30 -0.10 0.00 0.00 0.00 0.00 61.98 60.90 1mdk s VAL 52 Cb 0.20 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1mdk s VAL 52 CO 0.32 0.17 0.15 -0.63 0.00 0.00 0.00 175.10 175.10 1mdk s ILE 53 N -1.12 5.17 -0.12 2.22 -1.09 -0.78 -3.91 121.20 121.57 1mdk s ILE 53 Ca 0.19 0.12 -0.01 0.00 -2.23 0.00 0.00 60.65 58.72 1mdk s ILE 53 Cb -0.11 -3.42 -0.02 0.00 -1.58 0.00 0.00 42.46 37.33 1mdk s ILE 53 CO 0.10 0.33 -0.10 -0.36 -1.23 0.00 0.00 174.94 173.69 1mdk s PHE 54 N 1.21 2.88 0.44 3.97 0.08 -0.48 -1.99 117.98 124.09 1mdk s PHE 54 Ca 0.07 -0.41 0.06 0.00 0.12 0.00 0.00 56.93 56.77 1mdk s PHE 54 Cb -0.14 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.43 1mdk s PHE 54 CO 0.05 -0.05 0.18 -0.51 -0.10 0.00 0.00 175.22 174.80 1mdk s LEU 55 N 0.09 2.96 -0.05 -0.37 1.02 -0.68 -1.17 118.68 120.48 1mdk s LEU 55 Ca -0.04 -1.18 -0.05 0.00 0.02 0.00 0.00 54.13 52.88 1mdk s LEU 55 Cb -0.14 -1.30 0.01 0.00 0.02 0.00 0.00 46.19 44.78 1mdk s LEU 55 CO 0.04 -0.65 0.15 -0.70 0.02 0.00 0.00 176.35 175.21 1mdk s GLU 56 N -3.94 0.20 -0.00 1.70 2.12 -0.40 -2.89 118.70 115.48 1mdk s GLU 56 Ca 0.36 0.16 0.00 0.00 0.36 0.00 0.00 54.97 55.85 1mdk s GLU 56 Cb 0.03 0.09 0.00 0.00 0.26 0.00 0.00 34.13 34.52 1mdk s GLU 56 CO 0.20 -0.03 -0.01 0.08 -0.54 0.00 0.00 175.26 174.97 1mdk s VAL 57 N -0.03 0.07 -0.43 3.70 1.01 -1.03 -1.12 120.40 122.56 1mdk s VAL 57 Ca -0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 61.98 61.79 1mdk s VAL 57 Cb -0.02 -0.08 0.03 0.00 0.00 0.00 0.00 36.38 36.32 1mdk s VAL 57 CO 0.00 0.03 0.39 -0.62 0.00 0.00 0.00 175.10 174.91 1mdk s ASP 58 N 0.13 6.15 0.04 3.32 2.15 -1.26 -3.04 116.67 124.15 1mdk s ASP 58 Ca -0.01 -0.91 0.11 0.00 0.43 0.00 0.00 52.55 52.16 1mdk s ASP 58 Cb -0.02 -2.20 0.46 0.00 -0.30 0.00 0.00 42.92 40.87 1mdk s ASP 58 CO -0.00 -0.57 1.34 1.33 -0.17 0.00 0.00 175.17 177.09 1mdk n VAL 59 N 5.30 1.33 -0.11 1.11 0.24 -1.20 -0.13 118.33 124.86 1mdk n VAL 59 Ca -0.10 0.36 -0.15 0.00 -2.04 0.00 0.00 64.34 62.41 1mdk n VAL 59 Cb 0.46 -1.22 -0.10 0.00 -1.47 0.00 0.00 33.84 31.52 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 -1.59 2.33 0.03 -1.34 8.00 -1.26 -4.08 116.55 118.63 1mdk n ASP 60 Ca 0.02 -0.10 0.11 0.00 0.71 0.00 0.00 54.79 55.53 1mdk n ASP 60 Cb 0.11 -0.35 0.03 0.00 -0.02 0.00 0.00 41.12 40.90 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 -3.15 0.62 -2.51 -2.24 -0.08 -1.18 -4.23 116.55 103.78 1mdk n ASP 61 Ca -0.38 -0.21 -0.22 0.00 -1.51 0.00 0.00 54.79 52.47 1mdk n ASP 61 Cb 0.90 0.76 0.01 0.00 2.34 0.00 0.00 41.12 45.13 1mdk n ASP 61 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1mdk n ALA 62 N -1.81 4.61 0.04 -1.67 0.00 0.82 -4.85 120.51 117.64 1mdk n ALA 62 Ca 0.02 -3.97 0.02 0.00 0.00 0.00 0.00 53.44 49.51 1mdk n ALA 62 Cb 0.43 -0.63 0.12 0.00 0.00 0.00 0.00 19.45 19.37 1mdk n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mdk n GLN 63 N -0.39 0.03 -0.12 0.00 10.64 -1.26 -1.40 117.38 124.88 1mdk n GLN 63 Ca 0.31 0.45 -0.13 0.00 -1.83 0.00 0.00 57.00 55.80 1mdk n GLN 63 Cb 0.72 -1.71 -0.03 0.00 -0.86 0.00 0.00 30.24 28.36 1mdk n GLN 63 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 1mdk h ASP 64 N 0.00 0.92 -0.04 2.61 2.03 -1.91 0.16 116.42 120.19 1mdk h ASP 64 Ca 0.00 -0.46 -0.09 0.00 -0.73 0.00 0.00 57.03 55.76 1mdk h ASP 64 Cb 0.23 -0.26 0.01 0.00 -0.83 0.00 0.00 39.33 38.47 1mdk h ASP 64 CO 0.00 1.19 -0.32 0.58 -1.03 0.00 0.00 179.24 179.66 1mdk h VAL 65 N 0.67 1.46 0.00 4.15 2.07 -1.61 -2.98 116.25 120.02 1mdk h VAL 65 Ca 0.06 -1.81 -0.03 0.00 0.82 0.00 0.00 66.70 65.75 1mdk h VAL 65 Cb 0.91 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 33.16 1mdk h VAL 65 CO 0.08 0.51 -0.13 0.00 0.02 0.00 0.00 177.57 178.05 1mdk h ALA 66 N 0.37 1.66 0.67 1.67 0.00 -1.56 -1.35 119.26 120.72 1mdk h ALA 66 Ca -0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1mdk h ALA 66 Cb 1.00 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.77 1mdk h ALA 66 CO 0.06 0.17 -0.32 0.77 0.00 0.00 0.00 179.25 179.93 1mdk h SER 67 N 0.00 -0.76 0.14 0.00 0.02 -0.60 0.85 113.55 113.20 1mdk h SER 67 Ca -0.00 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1mdk h SER 67 Cb 0.25 0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 1mdk h SER 67 CO 0.02 -0.42 -0.13 -0.08 -1.14 0.00 0.00 176.83 175.08 1mdk h GLU 68 N -1.11 0.00 -0.01 3.45 4.57 -1.37 -0.46 114.58 119.66 1mdk h GLU 68 Ca -0.09 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1mdk h GLU 68 Cb 0.72 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1mdk h GLU 68 CO 0.15 0.13 -0.24 0.00 -1.18 0.00 0.00 179.01 177.88 1mdk n ALA 69 N -2.51 3.02 -4.10 2.92 0.00 -0.52 -4.95 120.51 114.37 1mdk n ALA 69 Ca -0.03 -0.34 -0.32 0.00 0.00 0.00 0.00 53.44 52.75 1mdk n ALA 69 Cb 0.20 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.88 -1.56 -2.62 0.00 1.02 0.29 -4.87 120.64 112.02 1mdk n GLU 70 Ca 0.12 0.22 -0.41 0.00 -0.02 0.00 0.00 57.16 57.06 1mdk n GLU 70 Cb 0.33 -3.72 -0.04 0.00 -0.02 0.00 0.00 31.44 27.98 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 -4.01 4.21 0.00 2.62 1.01 -0.93 -4.92 120.40 118.39 1mdk s VAL 71 Ca 0.14 1.84 0.00 0.00 0.00 0.00 0.00 61.98 63.96 1mdk s VAL 71 Cb -0.07 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1mdk s VAL 71 CO 0.95 0.29 0.37 0.29 0.00 0.00 0.00 175.10 176.99 1mdk n LYS 72 N 2.69 -0.53 -3.71 2.72 5.02 -1.26 -4.99 118.16 118.10 1mdk n LYS 72 Ca 0.03 -0.37 -0.12 0.00 -2.02 0.00 0.00 58.31 55.83 1mdk n LYS 72 Cb 0.48 -0.86 -0.11 0.00 -0.02 0.00 0.00 35.03 34.52 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 -0.03 -0.99 0.14 7.82 0.00 -1.26 -5.16 121.76 122.27 1mdk s ALA 73 Ca 0.00 1.34 0.10 0.00 0.00 0.00 0.00 51.96 53.40 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 -0.22 0.95 0.00 0.00 0.00 175.76 176.26 1mdk s THR 74 N 0.93 2.55 0.37 0.00 -4.23 -1.26 -3.63 115.64 110.36 1mdk s THR 74 Ca -0.06 -1.69 -0.25 0.00 -1.18 0.00 0.00 61.69 58.51 1mdk s THR 74 Cb -0.06 -2.16 -0.09 0.00 1.34 0.00 0.00 72.50 71.52 1mdk s THR 74 CO -0.07 0.06 1.03 -2.16 -0.54 0.00 0.00 174.62 172.94 1mdk s PRO 75 N -2.21 4.29 -0.24 3.99 0.04 -1.26 -4.80 135.00 134.81 1mdk s PRO 75 Ca 0.17 1.50 -0.02 0.00 0.04 0.00 0.00 61.00 62.69 1mdk s PRO 75 Cb -0.10 -2.65 0.02 0.00 0.04 0.00 0.00 34.50 31.81 1mdk s PRO 75 CO 0.09 -0.02 -0.06 0.99 0.04 0.00 0.00 177.00 178.03 1mdk s THR 76 N -1.61 2.98 -0.33 1.26 2.01 -1.09 -3.00 115.64 115.86 1mdk s THR 76 Ca 0.55 -0.89 -0.18 0.00 0.31 0.00 0.00 61.69 61.48 1mdk s THR 76 Cb -0.22 -2.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.81 1mdk s THR 76 CO 0.28 0.26 0.50 -0.36 -0.69 0.00 0.00 174.62 174.61 1mdk s PHE 77 N 1.36 3.20 -0.04 4.92 0.08 -0.43 -2.16 117.98 124.91 1mdk s PHE 77 Ca 0.02 0.26 0.05 0.00 0.12 0.00 0.00 56.93 57.38 1mdk s PHE 77 Cb -0.16 -2.87 -0.02 0.00 -0.57 0.00 0.00 43.02 39.40 1mdk s PHE 77 CO -0.04 -0.48 -0.18 -0.65 -0.10 0.00 0.00 175.22 173.76 1mdk s GLN 78 N 2.35 2.37 -0.13 0.44 -0.21 -1.08 -0.09 119.66 123.31 1mdk s GLN 78 Ca 0.19 -0.78 -0.02 0.00 0.02 0.00 0.00 55.36 54.77 1mdk s GLN 78 Cb -0.15 -2.26 -0.03 0.00 1.00 0.00 0.00 33.01 31.57 1mdk s GLN 78 CO 0.12 0.60 -0.06 -0.06 -2.12 0.00 0.00 175.29 173.78 1mdk s PHE 79 N -0.69 2.98 0.15 0.91 0.40 -0.37 -0.91 117.98 120.45 1mdk s PHE 79 Ca 0.11 -0.27 0.07 0.00 -0.60 0.00 0.00 56.93 56.24 1mdk s PHE 79 Cb -0.10 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.50 1mdk s PHE 79 CO -0.00 0.02 -0.16 -0.06 0.70 0.00 0.00 175.22 175.72 1mdk s PHE 80 N 0.09 1.64 -0.25 0.36 0.08 0.28 -2.12 117.98 118.06 1mdk s PHE 80 Ca -0.02 -0.51 -0.10 0.00 0.12 0.00 0.00 56.93 56.42 1mdk s PHE 80 Cb -0.14 -0.83 0.10 0.00 -0.57 0.00 0.00 43.02 41.58 1mdk s PHE 80 CO 0.03 0.25 0.57 0.21 -0.10 0.00 0.00 175.22 176.18 1mdk s LYS 81 N -2.74 0.52 -1.91 0.44 2.20 0.15 -2.28 119.74 116.12 1mdk s LYS 81 Ca 0.13 1.23 0.00 0.00 -0.36 0.00 0.00 55.97 56.96 1mdk s LYS 81 Cb -0.05 0.48 0.00 0.00 -1.51 0.00 0.00 37.83 36.75 1mdk s LYS 81 CO 0.05 -0.20 0.00 1.63 -0.36 0.00 0.00 175.35 176.47 1mdk n LYS 82 N 5.06 -1.60 -0.80 4.03 5.02 -1.26 -0.39 118.16 128.21 1mdk n LYS 82 Ca -0.14 1.07 0.00 0.00 -2.02 0.00 0.00 58.31 57.22 1mdk n LYS 82 Cb 0.52 -5.61 0.00 0.00 -0.02 0.00 0.00 35.03 29.92 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 -0.73 0.78 3.55 0.72 0.00 -1.26 -4.98 105.19 103.27 1mdk n GLY 83 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.20 2.20 0.16 1.61 -0.21 0.47 -5.11 119.66 118.59 1mdk s GLN 84 Ca 0.00 -0.95 -0.21 0.00 0.02 0.00 0.00 55.36 54.22 1mdk s GLN 84 Cb 0.00 -2.32 -0.08 0.00 1.00 0.00 0.00 33.01 31.62 1mdk s GLN 84 CO 0.00 0.54 0.69 0.21 -2.12 0.00 0.00 175.29 174.61 1mdk s LYS 85 N -1.84 4.32 -0.02 2.91 2.20 -1.26 0.33 119.74 126.38 1mdk s LYS 85 Ca 0.19 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 1mdk s LYS 85 Cb -0.11 -3.10 -0.02 0.00 -1.51 0.00 0.00 37.83 33.10 1mdk s LYS 85 CO 0.10 0.52 -0.02 1.33 -0.36 0.00 0.00 175.35 176.92 1mdk n VAL 86 N 1.26 0.13 -3.68 4.02 0.24 -0.90 -4.91 118.33 114.49 1mdk n VAL 86 Ca -0.06 -0.05 -0.04 0.00 -2.04 0.00 0.00 64.34 62.15 1mdk n VAL 86 Cb 0.50 -0.59 0.02 0.00 -1.47 0.00 0.00 33.84 32.30 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 3.38 1.00 3.58 7.63 0.00 -1.25 -5.04 105.19 114.48 1mdk n GLY 87 Ca -0.04 -1.12 -0.06 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.05 0.46 -0.29 1.61 1.03 -1.26 -1.24 118.70 116.96 1mdk s GLU 88 Ca 0.14 -0.08 -0.18 0.00 0.03 0.00 0.00 54.97 54.89 1mdk s GLU 88 Cb -0.03 0.21 0.14 0.00 -0.80 0.00 0.00 34.13 33.66 1mdk s GLU 88 CO 0.06 -0.18 0.99 -0.59 -1.33 0.00 0.00 175.26 174.21 1mdk s PHE 89 N -2.07 -0.55 0.00 4.83 -0.12 0.87 -4.99 117.98 115.94 1mdk s PHE 89 Ca 0.06 1.15 0.00 0.00 -0.05 0.00 0.00 56.93 58.08 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 -0.27 0.00 -1.13 -0.05 0.00 0.00 175.22 173.72 1mdk n SER 90 N 3.37 0.33 0.00 1.98 3.41 -1.26 -1.31 113.62 120.14 1mdk n SER 90 Ca -0.17 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 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 -2.54 3.56 5.00 0.00 -1.16 -4.70 105.19 110.35 1mdk n GLY 91 Ca 0.00 -1.16 -0.25 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.66 1.41 -0.43 4.61 0.00 -1.26 -4.78 121.76 119.65 1mdk s ALA 92 Ca 0.00 -1.04 0.06 0.00 0.00 0.00 0.00 51.96 50.98 1mdk s ALA 92 Cb 0.00 -4.51 0.21 0.00 0.00 0.00 0.00 23.12 18.82 1mdk s ALA 92 CO 0.00 -5.02 0.46 -1.71 0.00 0.00 0.00 175.76 169.49 1mdk n ASN 93 N 15.49 0.27 0.01 0.00 4.05 -1.26 -4.96 115.26 128.85 1mdk n ASN 93 Ca 0.39 -2.63 0.01 0.00 0.45 0.00 0.00 54.58 52.81 1mdk n ASN 93 Cb 0.47 -0.61 0.34 0.00 1.23 0.00 0.00 39.78 41.21 1mdk n ASN 93 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 177.26 174.28 1mdk h LYS 94 N 4.78 0.51 0.00 1.20 -0.00 -1.98 -1.53 116.57 119.55 1mdk h LYS 94 Ca 0.17 -0.08 -0.03 0.00 -0.00 0.00 0.00 60.65 60.71 1mdk h LYS 94 Cb 0.87 -0.09 -0.00 0.00 -0.00 0.00 0.00 32.23 33.01 1mdk h LYS 94 CO 0.46 0.48 -0.14 0.93 -0.00 0.00 0.00 179.45 181.17 1mdk h GLU 95 N 0.50 0.00 -0.43 0.07 4.39 -2.00 -2.16 114.58 114.96 1mdk h GLU 95 Ca 0.12 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.70 1mdk h GLU 95 Cb 0.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1mdk h GLU 95 CO -0.00 0.14 -0.22 -0.22 -1.16 0.00 0.00 179.01 177.55 1mdk h LYS 96 N 0.00 0.86 -0.96 2.33 3.64 -1.69 -2.69 116.57 118.06 1mdk h LYS 96 Ca -0.00 -0.35 0.19 0.00 -1.27 0.00 0.00 60.65 59.21 1mdk h LYS 96 Cb 0.34 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.04 1mdk h LYS 96 CO 0.02 0.99 0.61 -0.07 -2.27 0.00 0.00 179.45 178.73 1mdk h LEU 97 N 0.74 0.63 0.59 5.20 3.38 -1.39 0.52 115.31 124.99 1mdk h LEU 97 Ca 0.10 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1mdk h LEU 97 Cb 0.76 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.46 1mdk h LEU 97 CO 0.06 0.25 -0.28 -0.08 0.09 0.00 0.00 178.44 178.48 1mdk h GLU 98 N 0.63 -0.77 -0.92 1.13 4.81 -1.55 0.39 114.58 118.31 1mdk h GLU 98 Ca 0.52 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.83 1mdk h GLU 98 Cb 0.98 0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.48 1mdk h GLU 98 CO -0.28 -0.46 0.60 0.00 -0.73 0.00 0.00 179.01 178.14 1mdk h ALA 99 N -0.92 1.20 -0.23 2.92 0.00 -1.24 -0.85 119.26 120.14 1mdk h ALA 99 Ca -0.08 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1mdk h ALA 99 Cb 0.66 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1mdk h ALA 99 CO 0.13 0.49 -0.07 1.15 0.00 0.00 0.00 179.25 180.96 1mdk h THR 100 N 1.18 1.29 0.11 0.00 2.02 0.02 -1.59 112.91 115.93 1mdk h THR 100 Ca 0.36 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 1mdk h THR 100 Cb -0.04 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1mdk h THR 100 CO -0.11 0.34 -0.05 0.40 0.37 0.00 0.00 175.52 176.47 1mdk h ILE 101 N 0.19 0.93 0.00 3.11 2.04 -0.62 -0.68 117.51 122.48 1mdk h ILE 101 Ca 0.06 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1mdk h ILE 101 Cb 0.54 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1mdk h ILE 101 CO 0.03 0.03 0.00 -1.13 0.00 0.00 0.00 178.15 177.07 1mdk h ASN 102 N -0.20 0.00 0.12 1.72 -0.73 -1.14 0.67 115.58 116.02 1mdk h ASN 102 Ca -0.01 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.15 1mdk h ASN 102 Cb 0.16 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.75 1mdk h ASN 102 CO 0.02 0.00 -0.06 -0.08 -0.37 0.00 0.00 177.43 176.94 1mdk h GLU 103 N 0.00 -0.16 -0.76 6.67 4.57 -0.10 -3.33 114.58 121.47 1mdk h GLU 103 Ca 0.00 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1mdk h GLU 103 Cb 0.07 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1mdk h GLU 103 CO 0.00 -0.02 0.04 1.28 -1.18 0.00 0.00 179.01 179.13 1mdk n LEU 104 N -4.88 4.19 0.00 1.64 4.77 -0.82 -5.10 117.00 116.80 1mdk n LEU 104 Ca -0.03 -2.13 0.03 0.00 -0.03 0.00 0.00 56.01 53.84 1mdk n LEU 104 Cb 0.11 -0.63 0.17 0.00 -2.33 0.00 0.00 43.42 40.73 1mdk n LEU 104 CO 0.08 0.53 0.40 0.55 -1.33 0.00 0.00 177.39 177.62