#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 2.59 -0.21 2.03 1.01 -1.26 -3.83 120.40 120.73 1mdk s VAL 2 Ca 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 1mdk s VAL 2 Cb 0.00 -2.85 0.08 0.00 0.00 0.00 0.00 36.38 33.62 1mdk s VAL 2 CO 0.00 0.00 0.48 -0.75 0.00 0.00 0.00 175.10 174.83 1mdk s LYS 3 N -4.74 0.43 -0.03 2.72 2.20 -1.00 -4.98 119.74 114.34 1mdk s LYS 3 Ca 0.59 1.03 -0.20 0.00 -0.36 0.00 0.00 55.97 57.02 1mdk s LYS 3 Cb -0.09 0.24 -0.05 0.00 -1.51 0.00 0.00 37.83 36.42 1mdk s LYS 3 CO 0.38 -0.20 0.59 -1.14 -0.36 0.00 0.00 175.35 174.63 1mdk s GLN 4 N 2.08 4.33 -0.29 4.03 0.74 -1.26 -1.93 119.66 127.36 1mdk s GLN 4 Ca -0.06 0.71 -0.08 0.00 0.05 0.00 0.00 55.36 55.97 1mdk s GLN 4 Cb -0.10 -3.37 -0.01 0.00 1.10 0.00 0.00 33.01 30.63 1mdk s GLN 4 CO -0.15 0.31 0.11 0.42 -0.55 0.00 0.00 175.29 175.43 1mdk s ILE 5 N 0.03 4.41 -0.48 -2.34 -1.09 -0.82 -4.93 121.20 115.97 1mdk s ILE 5 Ca 0.31 -0.38 0.19 0.00 -2.23 0.00 0.00 60.65 58.54 1mdk s ILE 5 Cb -0.18 -3.19 -0.25 0.00 -1.58 0.00 0.00 42.46 37.27 1mdk s ILE 5 CO 0.16 0.16 0.61 -0.62 -1.23 0.00 0.00 174.94 174.03 1mdk n GLU 6 N 4.94 0.74 -3.67 2.79 4.71 -1.26 -4.34 120.64 124.56 1mdk n GLU 6 Ca -0.15 -0.08 -0.11 0.00 -0.01 0.00 0.00 57.16 56.81 1mdk n GLU 6 Cb 0.50 -1.41 -0.05 0.00 -1.01 0.00 0.00 31.44 29.46 1mdk n GLU 6 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1mdk s SER 7 N -3.42 -0.21 0.58 1.62 1.04 -1.26 -4.56 113.70 107.49 1mdk s SER 7 Ca 0.00 -0.28 0.29 0.00 0.48 0.00 0.00 55.95 56.45 1mdk s SER 7 Cb 0.13 0.44 1.47 0.00 0.10 0.00 0.00 66.02 68.17 1mdk s SER 7 CO 0.78 -0.79 1.90 0.50 0.98 0.00 0.00 173.24 176.60 1mdk h LYS 8 N 2.58 0.00 -0.14 4.02 3.64 -1.93 -0.70 116.57 124.04 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 0.47 0.00 0.09 1.15 -2.27 0.00 0.00 179.45 178.89 1mdk h THR 9 N 0.00 1.03 0.00 1.00 2.02 -2.01 -2.02 112.91 112.93 1mdk h THR 9 Ca 0.25 -0.06 -0.05 0.00 0.77 0.00 0.00 66.41 67.31 1mdk h THR 9 Cb 1.25 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 1mdk h THR 9 CO -0.00 0.03 -0.24 0.00 0.37 0.00 0.00 175.52 175.68 1mdk h ALA 10 N 1.06 1.06 0.08 6.16 0.00 -1.54 -2.95 119.26 123.14 1mdk h ALA 10 Ca 0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1mdk h ALA 10 Cb -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1mdk h ALA 10 CO -0.02 0.31 -0.04 0.35 0.00 0.00 0.00 179.25 179.85 1mdk h PHE 11 N 0.00 -0.11 -0.72 0.00 3.57 -1.08 0.23 116.94 118.84 1mdk h PHE 11 Ca -0.00 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1mdk h PHE 11 Cb 0.71 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.41 1mdk h PHE 11 CO 0.00 -0.07 0.35 1.96 -2.23 0.00 0.00 178.31 178.33 1mdk h GLN 12 N -0.11 0.57 -0.78 1.11 4.20 -1.61 -0.03 115.11 118.46 1mdk h GLN 12 Ca -0.01 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.70 1mdk h GLN 12 Cb 0.09 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 1mdk h GLN 12 CO 0.02 0.38 0.52 0.93 -0.67 0.00 0.00 178.83 180.00 1mdk h GLU 13 N 0.59 0.93 -0.54 1.46 4.39 -1.46 -1.01 114.58 118.93 1mdk h GLU 13 Ca 0.36 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1mdk h GLU 13 Cb 0.41 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 1mdk h GLU 13 CO -0.29 0.61 0.34 0.00 -1.16 0.00 0.00 179.01 178.52 1mdk h ALA 14 N 1.54 0.69 -0.54 3.43 0.00 0.14 0.58 119.26 125.10 1mdk h ALA 14 Ca 0.31 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 1mdk h ALA 14 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1mdk h ALA 14 CO -0.09 0.15 0.12 -0.07 0.00 0.00 0.00 179.25 179.36 1mdk h LEU 15 N 0.73 0.83 -0.58 0.00 3.38 -0.99 0.13 115.31 118.81 1mdk h LEU 15 Ca 0.20 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1mdk h LEU 15 Cb -0.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1mdk h LEU 15 CO -0.04 0.85 0.19 -0.78 0.09 0.00 0.00 178.44 178.75 1mdk h ASP 16 N 0.77 0.83 1.20 -0.43 1.82 -0.77 -2.05 116.42 117.80 1mdk h ASP 16 Ca 0.17 -0.20 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1mdk h ASP 16 Cb 0.35 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.14 1mdk h ASP 16 CO 0.00 0.81 0.00 0.00 -1.61 0.00 0.00 179.24 178.44 1mdk n ALA 17 N -2.38 2.21 0.64 -0.78 0.00 0.15 -3.02 120.51 117.33 1mdk n ALA 17 Ca 0.03 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.50 1mdk n ALA 17 Cb 0.20 -1.45 0.34 0.00 0.00 0.00 0.00 19.45 18.54 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 1.78 -0.59 0.00 0.00 0.42 -4.92 120.51 115.53 1mdk n ALA 18 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1mdk n ALA 18 Cb 0.37 -1.22 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 -0.12 1.61 0.00 0.00 0.00 -1.17 -2.96 105.19 102.56 1mdk n GLY 19 Ca 0.06 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 11.01 0.00 -4.68 1.61 5.68 -1.26 -4.49 116.55 124.41 1mdk n ASP 20 Ca 0.00 -1.00 -0.29 0.00 -0.50 0.00 0.00 54.79 53.00 1mdk n ASP 20 Cb 0.00 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.15 1mdk n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1mdk s LYS 21 N 0.00 0.57 0.94 0.11 1.02 -1.16 -4.75 119.74 116.47 1mdk s LYS 21 Ca 0.00 0.57 -0.11 0.00 0.02 0.00 0.00 55.97 56.46 1mdk s LYS 21 Cb 0.00 -1.75 0.16 0.00 -0.52 0.00 0.00 37.83 35.72 1mdk s LYS 21 CO 0.00 -2.65 1.11 -1.17 -0.92 0.00 0.00 175.35 171.72 1mdk s LEU 22 N -6.42 2.40 -0.25 3.17 0.20 -1.26 -4.67 118.68 111.85 1mdk s LEU 22 Ca 0.65 1.90 -0.03 0.00 0.69 0.00 0.00 54.13 57.34 1mdk s LEU 22 Cb -0.18 -4.24 0.11 0.00 -0.43 0.00 0.00 46.19 41.44 1mdk s LEU 22 CO 0.57 -3.08 0.24 -0.69 -0.29 0.00 0.00 176.35 173.11 1mdk s VAL 23 N -2.70 -0.33 -0.21 1.68 1.01 -0.82 -2.17 120.40 116.86 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 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1mdk s VAL 23 CO 0.59 -0.36 0.08 -0.69 0.00 0.00 0.00 175.10 174.71 1mdk s VAL 24 N 2.32 4.76 -0.11 2.92 1.01 -0.80 -0.43 120.40 130.08 1mdk s VAL 24 Ca 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1mdk s VAL 24 Cb -0.15 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1mdk s VAL 24 CO -0.23 0.41 0.05 -0.69 0.00 0.00 0.00 175.10 174.64 1mdk s VAL 25 N 0.77 4.71 -0.37 2.92 1.01 0.17 -1.83 120.40 127.77 1mdk s VAL 25 Ca 0.04 -0.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 1mdk s VAL 25 Cb -0.13 -3.02 0.08 0.00 0.00 0.00 0.00 36.38 33.31 1mdk s VAL 25 CO 0.02 0.60 0.15 -0.62 0.00 0.00 0.00 175.10 175.25 1mdk s ASP 26 N -0.80 5.27 -1.20 3.32 2.15 -1.15 -2.48 116.67 121.78 1mdk s ASP 26 Ca 0.13 -1.60 -0.16 0.00 0.43 0.00 0.00 52.55 51.35 1mdk s ASP 26 Cb -0.12 -1.84 0.12 0.00 -0.30 0.00 0.00 42.92 40.78 1mdk s ASP 26 CO 0.03 -0.44 1.52 -0.36 -0.17 0.00 0.00 175.17 175.74 1mdk s PHE 27 N 1.27 3.13 0.12 -5.34 0.40 -0.90 -2.54 117.98 114.12 1mdk s PHE 27 Ca 0.02 -1.78 0.08 0.00 -0.60 0.00 0.00 56.93 54.65 1mdk s PHE 27 Cb -0.22 -4.50 -0.04 0.00 0.51 0.00 0.00 43.02 38.77 1mdk s PHE 27 CO -0.01 -1.60 -0.14 -1.12 0.70 0.00 0.00 175.22 173.06 1mdk s SER 28 N 3.58 4.16 -0.19 1.36 0.01 -1.17 -3.14 113.70 118.32 1mdk s SER 28 Ca 0.46 -0.48 -0.18 0.00 1.31 0.00 0.00 55.95 57.07 1mdk s SER 28 Cb -0.00 -0.70 -0.04 0.00 0.21 0.00 0.00 66.02 65.49 1mdk s SER 28 CO 0.01 0.17 0.48 0.00 0.41 0.00 0.00 173.24 174.31 1mdk s ALA 29 N -1.22 3.54 0.34 1.44 0.00 -1.26 -4.30 121.76 120.30 1mdk s ALA 29 Ca 0.20 -0.41 0.35 0.00 0.00 0.00 0.00 51.96 52.10 1mdk s ALA 29 Cb -0.11 -2.74 1.68 0.00 0.00 0.00 0.00 23.12 21.95 1mdk s ALA 29 CO 0.12 -0.34 2.11 0.00 0.00 0.00 0.00 175.76 177.65 1mdk h THR 30 N 5.04 0.15 0.00 0.00 1.03 -1.98 -1.95 112.91 115.20 1mdk h THR 30 Ca -0.35 -0.40 0.00 0.00 -0.01 0.00 0.00 66.41 65.65 1mdk h THR 30 Cb 1.16 1.34 0.00 0.00 -1.07 0.00 0.00 68.15 69.58 1mdk h THR 30 CO 0.74 0.04 -0.83 4.11 -0.01 0.00 0.00 175.52 179.56 1mdk h TRP 31 N 0.00 0.00 -3.45 0.00 5.08 -2.03 -3.45 115.95 112.09 1mdk h TRP 31 Ca -0.00 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.37 1mdk h TRP 31 Cb 0.34 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 26.39 1mdk h TRP 31 CO 0.00 0.00 -0.15 0.00 -1.28 0.00 0.00 178.44 177.01 1mdk h GLY 33 N 7.60 -0.98 -0.27 0.00 0.00 -1.88 -1.98 103.07 105.56 1mdk h GLY 33 Ca -0.36 0.36 0.30 0.00 0.00 0.00 0.00 47.33 47.63 1mdk h GLY 33 CO 0.73 -0.36 0.73 -2.55 0.00 0.00 0.00 176.54 175.09 1mdk h PRO 34 N -1.14 0.25 0.08 4.80 0.11 -1.94 1.54 132.00 135.70 1mdk h PRO 34 Ca -0.10 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.99 1mdk h PRO 34 Cb 0.75 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1mdk h PRO 34 CO 0.16 0.16 -0.04 0.00 -0.21 0.00 0.00 178.00 178.07 1mdk h ALA 35 N 1.56 -0.15 0.00 -0.75 0.00 -1.83 -3.28 119.26 114.81 1mdk h ALA 35 Ca 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1mdk h ALA 35 Cb 1.80 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1mdk h ALA 35 CO -0.22 -0.15 0.01 -0.22 0.00 0.00 0.00 179.25 178.68 1mdk h LYS 36 N -0.66 0.00 0.00 0.00 3.64 -0.89 -1.63 116.57 117.03 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 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 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 -0.66 1.90 4.05 0.21 -0.83 114.93 119.61 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 0.00 0.00 -0.89 0.23 0.00 0.00 176.91 176.25 1mdk n ILE 38 N -2.88 1.54 0.11 1.77 5.41 -0.61 -4.41 119.36 120.28 1mdk n ILE 38 Ca -0.02 -1.05 -0.01 0.00 1.00 0.00 0.00 62.75 62.66 1mdk n ILE 38 Cb 0.10 0.16 0.24 0.00 -0.71 0.00 0.00 39.64 39.43 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 3.85 0.20 0.00 0.38 2.10 -1.33 -2.58 116.57 119.19 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 1.28 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 1mdk h LYS 39 CO 0.18 0.58 0.00 -2.30 -2.00 0.00 0.00 179.45 175.91 1mdk n PRO 40 N -4.03 0.16 0.00 0.07 -0.02 -1.26 -2.50 135.00 127.42 1mdk n PRO 40 Ca -0.01 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1mdk n PRO 40 Cb 0.47 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 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 -1.16 0.00 -0.34 6.00 3.01 -0.99 -4.11 117.46 119.86 1mdk n PHE 41 Ca 0.04 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.46 1mdk n PHE 41 Cb 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 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 -1.22 -0.10 1.38 3.57 -1.65 0.70 116.94 119.62 1mdk h PHE 42 Ca 0.00 0.10 -0.09 0.00 3.53 0.00 0.00 57.97 61.51 1mdk h PHE 42 Cb 0.00 0.66 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1mdk h PHE 42 CO 0.00 -0.40 -0.36 1.25 -2.23 0.00 0.00 178.31 176.57 1mdk h HIS 43 N -0.05 0.23 -0.64 0.41 2.76 -1.71 -2.98 115.15 113.17 1mdk h HIS 43 Ca 0.28 -0.06 -0.06 0.00 -2.20 0.00 0.00 60.37 58.34 1mdk h HIS 43 Cb 0.56 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.44 1mdk h HIS 43 CO -0.85 0.55 0.17 1.03 -1.30 0.00 0.00 177.93 177.53 1mdk h SER 44 N 0.18 0.96 0.00 3.26 0.87 0.29 -1.99 113.55 117.12 1mdk h SER 44 Ca 0.02 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1mdk h SER 44 Cb 0.73 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1mdk h SER 44 CO 0.06 0.93 0.37 0.18 -0.53 0.00 0.00 176.83 177.84 1mdk n LEU 45 N -4.33 0.23 -0.10 2.23 4.77 0.39 -0.57 117.00 119.62 1mdk n LEU 45 Ca 0.04 0.45 0.08 0.00 -0.03 0.00 0.00 56.01 56.56 1mdk n LEU 45 Cb 0.24 -0.38 0.43 0.00 -2.33 0.00 0.00 43.42 41.39 1mdk n LEU 45 CO 0.41 -0.53 1.19 0.28 -1.33 0.00 0.00 177.39 177.41 1mdk h SER 46 N 0.00 0.49 0.43 -1.43 0.02 -1.50 0.44 113.55 112.00 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 0.73 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1mdk h SER 46 CO 0.00 0.32 -1.32 -0.62 -1.14 0.00 0.00 176.83 174.07 1mdk n GLU 47 N -4.48 0.48 0.09 3.45 1.02 0.26 -3.75 120.64 117.71 1mdk n GLU 47 Ca 0.09 -0.03 0.08 0.00 -0.02 0.00 0.00 57.16 57.28 1mdk n GLU 47 Cb 0.26 -1.63 -0.02 0.00 -0.02 0.00 0.00 31.44 30.03 1mdk n GLU 47 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1mdk h LYS 48 N 0.00 0.00 -2.15 3.49 3.64 -1.33 -3.40 116.57 116.82 1mdk h LYS 48 Ca 0.00 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.81 1mdk h LYS 48 Cb 0.88 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 32.30 1mdk h LYS 48 CO 0.00 0.09 -0.97 0.66 -2.27 0.00 0.00 179.45 176.96 1mdk n TYR 49 N -2.76 0.36 0.55 1.91 4.01 0.15 -4.91 117.16 116.46 1mdk n TYR 49 Ca -0.03 -3.65 0.05 0.00 -0.16 0.00 0.00 57.90 54.12 1mdk n TYR 49 Cb 0.64 -0.28 0.28 0.00 -0.31 0.00 0.00 39.34 39.66 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 1.60 0.00 -0.53 7.72 3.41 -1.25 -1.27 113.62 123.31 1mdk n SER 50 Ca 0.24 0.01 0.12 0.00 -0.26 0.00 0.00 58.87 58.99 1mdk n SER 50 Cb 0.49 -0.21 0.18 0.00 -0.26 0.00 0.00 64.21 64.41 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 -1.21 1.93 -4.54 4.04 5.15 -1.26 -4.66 115.26 114.71 1mdk n ASN 51 Ca 0.06 -1.47 -0.30 0.00 -0.60 0.00 0.00 54.58 52.27 1mdk n ASN 51 Cb 0.07 0.24 -0.11 0.00 -0.53 0.00 0.00 39.78 39.45 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 -2.32 3.19 -0.21 3.44 1.01 -0.39 -4.56 120.40 120.56 1mdk s VAL 52 Ca 0.24 -1.24 -0.10 0.00 0.00 0.00 0.00 61.98 60.88 1mdk s VAL 52 Cb 0.19 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 1mdk s VAL 52 CO 0.47 0.18 0.13 -0.63 0.00 0.00 0.00 175.10 175.26 1mdk s ILE 53 N -1.12 5.35 -0.12 2.22 -1.09 -0.92 -4.46 121.20 121.06 1mdk s ILE 53 Ca 0.19 0.17 0.02 0.00 -2.23 0.00 0.00 60.65 58.80 1mdk s ILE 53 Cb -0.11 -3.45 -0.01 0.00 -1.58 0.00 0.00 42.46 37.31 1mdk s ILE 53 CO 0.11 0.42 -0.18 -0.36 -1.23 0.00 0.00 174.94 173.70 1mdk s PHE 54 N 0.49 2.70 0.49 3.97 0.08 -1.25 -1.90 117.98 122.55 1mdk s PHE 54 Ca 0.08 -0.87 0.06 0.00 0.12 0.00 0.00 56.93 56.31 1mdk s PHE 54 Cb -0.12 -1.79 -0.00 0.00 -0.57 0.00 0.00 43.02 40.54 1mdk s PHE 54 CO -0.01 -0.33 0.29 -0.51 -0.10 0.00 0.00 175.22 174.56 1mdk s LEU 55 N 0.40 2.85 -0.01 -0.37 1.02 -0.76 -2.36 118.68 119.43 1mdk s LEU 55 Ca -0.14 -1.19 -0.05 0.00 0.02 0.00 0.00 54.13 52.77 1mdk s LEU 55 Cb -0.17 -1.30 0.00 0.00 0.02 0.00 0.00 46.19 44.74 1mdk s LEU 55 CO 0.06 -0.86 0.11 -0.70 0.02 0.00 0.00 176.35 174.98 1mdk s GLU 56 N -4.11 0.33 -0.04 1.70 2.12 -0.81 -2.93 118.70 114.97 1mdk s GLU 56 Ca 0.34 -0.21 -0.03 0.00 0.36 0.00 0.00 54.97 55.44 1mdk s GLU 56 Cb -0.00 0.14 0.01 0.00 0.26 0.00 0.00 34.13 34.54 1mdk s GLU 56 CO 0.20 -0.07 0.09 0.08 -0.54 0.00 0.00 175.26 175.02 1mdk s VAL 57 N -0.83 -0.01 -0.49 3.70 1.01 -1.05 -1.95 120.40 120.77 1mdk s VAL 57 Ca -0.09 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 1mdk s VAL 57 Cb -0.05 -0.14 0.08 0.00 0.00 0.00 0.00 36.38 36.26 1mdk s VAL 57 CO 0.01 0.01 0.47 -0.62 0.00 0.00 0.00 175.10 174.97 1mdk s ASP 58 N 0.22 6.17 0.00 3.32 2.15 -1.26 -3.03 116.67 124.24 1mdk s ASP 58 Ca -0.01 -1.29 0.01 0.00 0.43 0.00 0.00 52.55 51.69 1mdk s ASP 58 Cb -0.02 -2.22 0.05 0.00 -0.30 0.00 0.00 42.92 40.43 1mdk s ASP 58 CO -0.01 -0.75 0.74 1.33 -0.17 0.00 0.00 175.17 176.32 1mdk n VAL 59 N 5.32 0.78 -0.07 1.11 0.24 -1.26 -0.09 118.33 124.37 1mdk n VAL 59 Ca -0.11 0.20 -0.11 0.00 -2.04 0.00 0.00 64.34 62.28 1mdk n VAL 59 Cb 0.44 -1.18 -0.06 0.00 -1.47 0.00 0.00 33.84 31.57 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 -1.20 2.39 0.02 -1.34 8.00 -1.26 -4.25 116.55 118.90 1mdk n ASP 60 Ca 0.00 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.62 1mdk n ASP 60 Cb 0.01 -0.26 0.12 0.00 -0.02 0.00 0.00 41.12 40.96 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 -3.10 0.63 -2.39 -2.24 -0.08 -1.10 -4.13 116.55 104.13 1mdk n ASP 61 Ca -0.24 -0.27 -0.20 0.00 -1.51 0.00 0.00 54.79 52.57 1mdk n ASP 61 Cb 0.72 0.51 0.02 0.00 2.34 0.00 0.00 41.12 44.72 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 -1.66 4.49 0.10 -1.67 0.00 0.87 -4.84 120.51 117.80 1mdk n ALA 62 Ca 0.04 -3.77 0.06 0.00 0.00 0.00 0.00 53.44 49.77 1mdk n ALA 62 Cb 0.38 -0.56 0.30 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.52 0.07 -0.11 0.00 6.02 -1.26 -1.29 117.38 120.30 1mdk n GLN 63 Ca 0.32 0.53 -0.13 0.00 -0.01 0.00 0.00 57.00 57.71 1mdk n GLN 63 Cb 0.81 -1.85 -0.03 0.00 1.02 0.00 0.00 30.24 30.19 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 0.97 -0.04 1.08 2.03 -1.92 0.17 116.42 118.71 1mdk h ASP 64 Ca 0.00 -0.48 -0.08 0.00 -0.73 0.00 0.00 57.03 55.75 1mdk h ASP 64 Cb 0.23 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 38.46 1mdk h ASP 64 CO 0.00 1.25 -0.27 0.58 -1.03 0.00 0.00 179.24 179.77 1mdk h VAL 65 N 0.71 1.46 -0.14 4.15 2.07 -1.57 -2.66 116.25 120.27 1mdk h VAL 65 Ca 0.05 -1.75 -0.03 0.00 0.82 0.00 0.00 66.70 65.79 1mdk h VAL 65 Cb 0.99 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 1mdk h VAL 65 CO 0.10 0.49 -0.06 0.00 0.02 0.00 0.00 177.57 178.12 1mdk h ALA 66 N 0.38 1.64 0.36 1.67 0.00 -1.55 -0.61 119.26 121.15 1mdk h ALA 66 Ca -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1mdk h ALA 66 Cb 0.94 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1mdk h ALA 66 CO 0.06 0.27 -0.17 0.77 0.00 0.00 0.00 179.25 180.17 1mdk h SER 67 N 0.21 -0.41 0.21 0.00 0.02 -0.60 0.55 113.55 113.53 1mdk h SER 67 Ca 0.05 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1mdk h SER 67 Cb 0.24 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1mdk h SER 67 CO 0.01 -0.12 -0.17 -0.08 -1.14 0.00 0.00 176.83 175.32 1mdk h GLU 68 N -0.71 0.00 -0.01 3.45 4.57 -1.23 -1.05 114.58 119.60 1mdk h GLU 68 Ca -0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1mdk h GLU 68 Cb 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1mdk h GLU 68 CO 0.08 0.17 -0.25 0.00 -1.18 0.00 0.00 179.01 177.83 1mdk n ALA 69 N -2.46 3.06 -3.80 2.92 0.00 -0.26 -4.96 120.51 115.00 1mdk n ALA 69 Ca -0.02 -0.36 -0.35 0.00 0.00 0.00 0.00 53.44 52.70 1mdk n ALA 69 Cb 0.24 -1.18 0.03 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.84 -1.06 -2.68 0.00 1.02 0.19 -4.89 120.64 112.38 1mdk n GLU 70 Ca 0.12 0.35 -0.41 0.00 -0.02 0.00 0.00 57.16 57.20 1mdk n GLU 70 Cb 0.33 -3.71 -0.05 0.00 -0.02 0.00 0.00 31.44 27.99 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 -3.51 4.22 0.00 2.62 1.01 -0.94 -4.92 120.40 118.87 1mdk s VAL 71 Ca 0.46 1.97 0.00 0.00 0.00 0.00 0.00 61.98 64.40 1mdk s VAL 71 Cb -0.19 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 31.94 1mdk s VAL 71 CO 0.89 0.36 0.09 0.29 0.00 0.00 0.00 175.10 176.74 1mdk n LYS 72 N 2.27 4.32 -3.68 2.72 4.76 -1.26 -5.01 118.16 122.27 1mdk n LYS 72 Ca 0.01 -0.09 -0.10 0.00 -2.87 0.00 0.00 58.31 55.25 1mdk n LYS 72 Cb 0.48 -0.52 -0.10 0.00 -1.84 0.00 0.00 35.03 33.05 1mdk n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1mdk s ALA 73 N -0.64 -1.29 0.12 7.82 0.00 -1.26 -5.16 121.76 121.34 1mdk s ALA 73 Ca 0.00 1.71 0.06 0.00 0.00 0.00 0.00 51.96 53.74 1mdk s ALA 73 Cb 0.00 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 1mdk s ALA 73 CO 0.00 -0.29 -0.03 0.95 0.00 0.00 0.00 175.76 176.39 1mdk s THR 74 N 1.18 3.71 0.35 0.00 -4.23 -1.26 -3.73 115.64 111.66 1mdk s THR 74 Ca -0.07 -1.22 -0.26 0.00 -1.18 0.00 0.00 61.69 58.97 1mdk s THR 74 Cb -0.06 -2.79 -0.09 0.00 1.34 0.00 0.00 72.50 70.90 1mdk s THR 74 CO -0.11 0.05 1.02 -2.16 -0.54 0.00 0.00 174.62 172.88 1mdk s PRO 75 N -2.47 4.38 -0.19 3.99 0.04 -1.26 -4.79 135.00 134.71 1mdk s PRO 75 Ca 0.25 1.51 -0.01 0.00 0.04 0.00 0.00 61.00 62.78 1mdk s PRO 75 Cb -0.11 -2.74 -0.00 0.00 0.04 0.00 0.00 34.50 31.69 1mdk s PRO 75 CO 0.17 0.06 -0.11 0.99 0.04 0.00 0.00 177.00 178.14 1mdk s THR 76 N -1.55 2.89 -0.25 1.26 2.01 -1.19 -2.77 115.64 116.05 1mdk s THR 76 Ca 0.53 -0.67 -0.12 0.00 0.31 0.00 0.00 61.69 61.74 1mdk s THR 76 Cb -0.23 -2.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.97 1mdk s THR 76 CO 0.29 0.48 0.25 -0.36 -0.69 0.00 0.00 174.62 174.59 1mdk s PHE 77 N 1.16 3.29 -0.07 4.92 0.08 -0.52 -2.11 117.98 124.72 1mdk s PHE 77 Ca 0.01 0.30 0.05 0.00 0.12 0.00 0.00 56.93 57.42 1mdk s PHE 77 Cb -0.14 -2.40 -0.01 0.00 -0.57 0.00 0.00 43.02 39.90 1mdk s PHE 77 CO -0.04 -0.07 -0.24 -0.65 -0.10 0.00 0.00 175.22 174.12 1mdk s GLN 78 N 1.49 2.69 -0.20 0.44 -0.21 -1.03 -0.30 119.66 122.53 1mdk s GLN 78 Ca 0.11 -0.88 -0.06 0.00 0.02 0.00 0.00 55.36 54.55 1mdk s GLN 78 Cb -0.15 -2.18 -0.03 0.00 1.00 0.00 0.00 33.01 31.65 1mdk s GLN 78 CO 0.08 0.30 0.02 -0.06 -2.12 0.00 0.00 175.29 173.50 1mdk s PHE 79 N 0.03 3.07 0.19 0.91 0.40 0.10 -0.65 117.98 122.03 1mdk s PHE 79 Ca -0.09 -0.39 0.09 0.00 -0.60 0.00 0.00 56.93 55.94 1mdk s PHE 79 Cb -0.15 -2.10 -0.04 0.00 0.51 0.00 0.00 43.02 41.23 1mdk s PHE 79 CO 0.06 -0.20 -0.17 -0.06 0.70 0.00 0.00 175.22 175.54 1mdk s PHE 80 N 0.99 1.86 -0.21 0.36 0.08 0.43 -1.96 117.98 119.52 1mdk s PHE 80 Ca 0.02 -0.48 -0.09 0.00 0.12 0.00 0.00 56.93 56.50 1mdk s PHE 80 Cb -0.14 -0.89 0.09 0.00 -0.57 0.00 0.00 43.02 41.51 1mdk s PHE 80 CO 0.02 0.39 0.47 0.21 -0.10 0.00 0.00 175.22 176.22 1mdk s LYS 81 N -3.17 0.41 -1.42 0.44 2.20 0.24 -1.95 119.74 116.48 1mdk s LYS 81 Ca 0.20 1.06 -0.02 0.00 -0.36 0.00 0.00 55.97 56.85 1mdk s LYS 81 Cb -0.04 0.31 0.01 0.00 -1.51 0.00 0.00 37.83 36.60 1mdk s LYS 81 CO 0.08 -0.21 0.18 1.63 -0.36 0.00 0.00 175.35 176.66 1mdk n LYS 82 N 5.04 -2.71 -1.00 4.03 5.02 -1.26 0.32 118.16 127.60 1mdk n LYS 82 Ca -0.13 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 56.94 1mdk n LYS 82 Cb 0.52 -5.47 0.00 0.00 -0.02 0.00 0.00 35.03 30.06 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 -1.06 0.64 3.56 0.72 0.00 -1.26 -5.02 105.19 102.77 1mdk n GLY 83 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.03 2.49 0.20 1.61 -1.52 0.15 -5.11 119.66 117.45 1mdk s GLN 84 Ca 0.00 -0.74 -0.23 0.00 -1.95 0.00 0.00 55.36 52.43 1mdk s GLN 84 Cb 0.00 -2.45 -0.08 0.00 -0.22 0.00 0.00 33.01 30.26 1mdk s GLN 84 CO 0.00 0.60 0.77 0.21 -0.25 0.00 0.00 175.29 176.62 1mdk s LYS 85 N -1.29 4.46 0.00 2.91 2.20 -1.26 0.80 119.74 127.55 1mdk s LYS 85 Ca 0.16 1.07 0.00 0.00 -0.36 0.00 0.00 55.97 56.84 1mdk s LYS 85 Cb -0.11 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 1mdk s LYS 85 CO 0.06 0.49 0.01 1.33 -0.36 0.00 0.00 175.35 176.87 1mdk n VAL 86 N 1.20 0.00 0.00 4.02 0.24 -0.83 -4.91 118.33 118.05 1mdk n VAL 86 Ca -0.04 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 1mdk n VAL 86 Cb 0.50 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.90 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 0.38 0.79 3.59 7.63 0.00 -1.24 -5.02 105.19 111.33 1mdk n GLY 87 Ca 0.00 -0.87 -0.07 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 0.39 -0.29 1.61 1.03 -1.26 -0.72 118.70 117.46 1mdk s GLU 88 Ca 0.00 0.02 -0.20 0.00 0.03 0.00 0.00 54.97 54.82 1mdk s GLU 88 Cb 0.00 0.18 0.14 0.00 -0.80 0.00 0.00 34.13 33.65 1mdk s GLU 88 CO 0.00 -0.14 1.01 -0.59 -1.33 0.00 0.00 175.26 174.21 1mdk s PHE 89 N -1.52 -0.52 0.25 4.83 -0.12 0.59 -4.99 117.98 116.50 1mdk s PHE 89 Ca 0.04 1.13 0.04 0.00 -0.05 0.00 0.00 56.93 58.08 1mdk s PHE 89 Cb -0.01 0.36 0.04 0.00 -0.63 0.00 0.00 43.02 42.78 1mdk s PHE 89 CO -0.03 -0.26 0.29 -1.13 -0.05 0.00 0.00 175.22 174.04 1mdk n SER 90 N 3.08 1.27 0.00 1.98 3.41 -1.26 -1.44 113.62 120.66 1mdk n SER 90 Ca -0.16 -1.75 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 1mdk n SER 90 Cb 0.57 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 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 1.91 0.25 3.55 5.00 0.00 -1.11 -4.80 105.19 109.99 1mdk n GLY 91 Ca 0.04 -1.30 -0.25 0.00 0.00 0.00 0.00 46.02 44.52 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 1.74 0.56 -3.21 4.61 0.00 -1.26 -4.75 120.51 118.19 1mdk n ALA 92 Ca 0.00 -1.15 -0.24 0.00 0.00 0.00 0.00 53.44 52.05 1mdk n ALA 92 Cb 0.00 -3.21 -0.07 0.00 0.00 0.00 0.00 19.45 16.17 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 16.93 0.26 0.06 0.00 4.05 -1.26 -4.96 115.26 130.34 1mdk n ASN 93 Ca 0.43 -2.70 0.03 0.00 0.45 0.00 0.00 54.58 52.80 1mdk n ASN 93 Cb 0.47 -0.64 0.42 0.00 1.23 0.00 0.00 39.78 41.26 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 4.09 0.40 0.00 1.20 -0.00 -1.99 -1.14 116.57 119.13 1mdk h LYS 94 Ca 0.08 -0.05 -0.04 0.00 -0.00 0.00 0.00 60.65 60.65 1mdk h LYS 94 Cb 0.87 -0.08 -0.01 0.00 -0.00 0.00 0.00 32.23 33.02 1mdk h LYS 94 CO 0.47 0.35 -0.18 0.93 -0.00 0.00 0.00 179.45 181.02 1mdk h GLU 95 N 0.40 0.00 -0.23 0.07 4.39 -2.00 -2.43 114.58 114.78 1mdk h GLU 95 Ca 0.10 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.63 1mdk h GLU 95 Cb 0.12 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1mdk h GLU 95 CO -0.01 0.18 -0.54 -0.22 -1.16 0.00 0.00 179.01 177.26 1mdk h LYS 96 N 0.00 0.68 -0.92 2.33 3.64 -1.62 -2.96 116.57 117.72 1mdk h LYS 96 Ca -0.00 -0.43 0.19 0.00 -1.27 0.00 0.00 60.65 59.14 1mdk h LYS 96 Cb 0.39 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.18 1mdk h LYS 96 CO 0.02 1.04 0.59 -0.07 -2.27 0.00 0.00 179.45 178.77 1mdk h LEU 97 N 0.53 0.51 0.33 5.20 3.38 -1.37 0.32 115.31 124.20 1mdk h LEU 97 Ca 0.01 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1mdk h LEU 97 Cb 1.11 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1mdk h LEU 97 CO 0.11 0.21 -0.16 -0.08 0.09 0.00 0.00 178.44 178.61 1mdk h GLU 98 N 0.51 -0.42 -0.54 1.13 4.81 -1.60 0.73 114.58 119.21 1mdk h GLU 98 Ca 0.48 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.75 1mdk h GLU 98 Cb 1.04 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1mdk h GLU 98 CO -0.21 -0.10 0.35 0.00 -0.73 0.00 0.00 179.01 178.31 1mdk h ALA 99 N -0.27 0.68 -0.34 2.92 0.00 -1.25 -0.39 119.26 120.61 1mdk h ALA 99 Ca -0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1mdk h ALA 99 Cb 0.51 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1mdk h ALA 99 CO 0.07 0.10 0.04 1.15 0.00 0.00 0.00 179.25 180.61 1mdk h THR 100 N 0.71 1.24 0.29 0.00 2.02 -0.41 -1.22 112.91 115.54 1mdk h THR 100 Ca 0.20 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 1mdk h THR 100 Cb -0.06 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1mdk h THR 100 CO -0.06 0.29 -0.14 0.40 0.37 0.00 0.00 175.52 176.39 1mdk h ILE 101 N 0.39 0.72 0.00 3.11 2.04 -0.59 -0.86 117.51 122.33 1mdk h ILE 101 Ca 0.10 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1mdk h ILE 101 Cb 0.38 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1mdk h ILE 101 CO 0.01 0.01 0.00 -1.13 0.00 0.00 0.00 178.15 177.04 1mdk h ASN 102 N -0.41 0.00 0.13 1.72 -0.73 -1.01 -0.32 115.58 114.96 1mdk h ASN 102 Ca -0.04 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.12 1mdk h ASN 102 Cb 0.31 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.90 1mdk h ASN 102 CO 0.06 0.00 -0.06 -0.08 -0.37 0.00 0.00 177.43 176.98 1mdk h GLU 103 N 0.00 -0.17 -0.71 6.67 4.81 0.10 -3.33 114.58 121.96 1mdk h GLU 103 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1mdk h GLU 103 Cb 0.07 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1mdk h GLU 103 CO 0.00 -0.03 0.00 1.28 -0.73 0.00 0.00 179.01 179.53 1mdk n LEU 104 N -4.88 3.69 0.00 1.64 4.77 -0.92 -5.10 117.00 116.20 1mdk n LEU 104 Ca -0.03 -1.87 0.04 0.00 -0.03 0.00 0.00 56.01 54.12 1mdk n LEU 104 Cb 0.11 -0.57 0.22 0.00 -2.33 0.00 0.00 43.42 40.85 1mdk n LEU 104 CO 0.08 0.49 0.45 0.55 -1.33 0.00 0.00 177.39 177.64