#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3md0 h VAL 11 N 0.00 1.21 -0.66 2.28 2.07 -1.98 0.35 116.25 119.52 3md0 h VAL 11 Ca 0.00 -2.72 -0.05 0.00 0.82 0.00 0.00 66.70 64.75 3md0 h VAL 11 Cb 0.00 2.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.66 3md0 h VAL 11 CO 0.00 0.84 0.23 -0.78 0.02 0.00 0.00 177.57 177.87 3md0 h ASP 12 N 0.12 0.92 -0.39 0.57 1.82 -2.00 -1.45 116.42 116.02 3md0 h ASP 12 Ca -0.26 -0.15 -0.11 0.00 -0.39 0.00 0.00 57.03 56.12 3md0 h ASP 12 Cb 2.10 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 41.86 3md0 h ASP 12 CO 0.23 0.85 -0.20 1.23 -1.61 0.00 0.00 179.24 179.74 3md0 h GLY 13 N 1.05 0.89 2.00 -0.78 0.00 -2.01 -2.87 103.07 101.35 3md0 h GLY 13 Ca 0.22 -0.81 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 3md0 h GLY 13 CO -0.01 0.73 -0.19 -2.00 0.00 0.00 0.00 176.54 175.07 3md0 h LEU 14 N 0.62 0.00 -0.28 3.11 5.85 -0.09 -2.66 115.31 121.86 3md0 h LEU 14 Ca 0.08 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.60 3md0 h LEU 14 Cb 0.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3md0 h LEU 14 CO 0.06 0.19 -0.77 0.00 -0.34 0.00 0.00 178.44 177.58 3md0 h ALA 15 N 1.81 0.45 0.00 1.25 0.00 -1.21 -2.84 119.26 118.72 3md0 h ALA 15 Ca -0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.19 3md0 h ALA 15 Cb 0.33 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3md0 h ALA 15 CO 0.02 0.73 -0.51 1.79 0.00 0.00 0.00 179.25 181.28 3md0 h THR 16 N 0.39 1.08 -0.32 0.00 1.35 -1.38 -2.51 112.91 111.53 3md0 h THR 16 Ca -0.04 -1.96 -0.18 0.00 -0.55 0.00 0.00 66.41 63.67 3md0 h THR 16 Cb 1.37 2.15 -0.00 0.00 -1.73 0.00 0.00 68.15 69.94 3md0 h THR 16 CO 0.14 0.50 -0.50 0.00 -0.25 0.00 0.00 175.52 175.41 3md0 h ALA 17 N 1.49 0.50 -0.31 6.62 0.00 -1.52 0.08 119.26 126.13 3md0 h ALA 17 Ca -0.01 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 3md0 h ALA 17 Cb 1.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3md0 h ALA 17 CO 0.07 0.68 -0.13 0.28 0.00 0.00 0.00 179.25 180.15 3md0 h VAL 18 N 0.70 1.29 0.00 0.00 2.07 -1.52 0.18 116.25 118.97 3md0 h VAL 18 Ca 0.03 -1.21 -0.11 0.00 0.82 0.00 0.00 66.70 66.22 3md0 h VAL 18 Cb 1.11 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 3md0 h VAL 18 CO 0.11 0.39 -0.55 0.03 0.02 0.00 0.00 177.57 177.58 3md0 h ARG 19 N 0.39 0.00 0.00 1.57 -0.00 -1.47 -2.72 114.38 112.14 3md0 h ARG 19 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.55 3md0 h ARG 19 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.61 3md0 h ARG 19 CO 0.04 0.55 -0.14 0.41 0.00 0.00 0.00 179.97 180.82 3md0 n GLY 20 N 0.25 -1.60 0.22 0.04 0.00 0.01 -4.90 105.19 99.22 3md0 n GLY 20 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3md0 n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3md0 n GLY 21 N 1.36 0.94 3.72 -0.02 0.00 -0.93 -5.05 105.19 105.20 3md0 n GLY 21 Ca 0.05 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3md0 n GLY 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3md0 s ASP 22 N -2.07 6.62 0.00 1.61 3.68 0.60 -4.92 116.67 122.19 3md0 s ASP 22 Ca 0.00 2.59 0.14 0.00 2.13 0.00 0.00 52.55 57.41 3md0 s ASP 22 Cb 0.00 -2.60 0.20 0.00 -1.45 0.00 0.00 42.92 39.07 3md0 s ASP 22 CO 0.00 -0.79 1.06 -2.11 0.13 0.00 0.00 175.17 173.46 3md0 n ARG 23 N 3.76 1.53 0.01 4.34 1.85 -1.26 -3.81 116.66 123.08 3md0 n ARG 23 Ca 0.13 -1.60 0.11 0.00 -1.00 0.00 0.00 57.85 55.48 3md0 n ARG 23 Cb 0.39 -1.30 -0.12 0.00 -1.05 0.00 0.00 32.46 30.38 3md0 n ARG 23 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3md0 n ALA 24 N 0.81 2.92 0.11 2.89 0.00 -1.26 -4.34 120.51 121.64 3md0 n ALA 24 Ca 0.10 -0.47 -0.03 0.00 0.00 0.00 0.00 53.44 53.05 3md0 n ALA 24 Cb 0.39 -0.83 0.04 0.00 0.00 0.00 0.00 19.45 19.06 3md0 n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3md0 h ALA 25 N 2.10 0.67 0.31 0.00 0.00 -1.93 -3.32 119.26 117.08 3md0 h ALA 25 Ca 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 54.91 54.22 3md0 h ALA 25 Cb 0.95 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3md0 h ALA 25 CO 0.00 0.93 -0.15 1.25 0.00 0.00 0.00 179.25 181.28 3md0 h LEU 26 N 0.00 -0.35 -1.21 0.00 5.85 -1.76 -1.33 115.31 116.51 3md0 h LEU 26 Ca -0.01 -0.12 0.26 0.00 0.84 0.00 0.00 57.88 58.85 3md0 h LEU 26 Cb 1.41 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 42.42 3md0 h LEU 26 CO 0.10 -0.07 0.64 -0.65 -0.34 0.00 0.00 178.44 178.11 3md0 h PRO 27 N -0.64 0.47 -0.11 5.25 0.11 -1.80 0.17 132.00 135.44 3md0 h PRO 27 Ca -0.04 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.82 3md0 h PRO 27 Cb 0.45 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.47 3md0 h PRO 27 CO 0.07 0.31 -0.82 0.00 -0.21 0.00 0.00 178.00 177.35 3md0 h ARG 28 N 0.48 0.70 -0.10 1.05 -0.00 -1.62 0.46 114.38 115.35 3md0 h ARG 28 Ca 0.62 -0.60 -0.14 0.00 -0.50 0.00 0.00 59.98 59.35 3md0 h ARG 28 Cb 1.38 0.13 -0.01 0.00 0.00 0.00 0.00 29.97 31.48 3md0 h ARG 28 CO -0.37 1.21 -0.56 0.00 0.00 0.00 0.00 179.97 180.25 3md0 h ALA 29 N 0.61 0.86 -0.35 0.04 0.00 -0.53 -0.54 119.26 119.35 3md0 h ALA 29 Ca -0.06 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.27 3md0 h ALA 29 Cb 1.44 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3md0 h ALA 29 CO 0.16 0.70 -0.03 0.82 0.00 0.00 0.00 179.25 180.90 3md0 h ILE 30 N 0.23 1.27 -0.61 0.00 2.04 -0.56 -0.88 117.51 118.99 3md0 h ILE 30 Ca 0.00 -1.04 0.02 0.00 1.00 0.00 0.00 64.86 64.84 3md0 h ILE 30 Cb 1.06 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 3md0 h ILE 30 CO 0.09 0.34 0.39 0.74 0.00 0.00 0.00 178.15 179.71 3md0 h THR 31 N 0.44 1.12 -0.90 -0.27 2.02 -0.73 -0.25 112.91 114.33 3md0 h THR 31 Ca 0.10 -0.27 0.02 0.00 0.77 0.00 0.00 66.41 67.02 3md0 h THR 31 Cb 0.50 0.27 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 3md0 h THR 31 CO 0.02 0.14 0.60 0.25 0.37 0.00 0.00 175.52 176.90 3md0 h LEU 32 N 0.78 1.02 -0.40 2.58 5.85 -0.97 -2.14 115.31 122.04 3md0 h LEU 32 Ca 0.23 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.77 3md0 h LEU 32 Cb -0.04 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 3md0 h LEU 32 CO -0.07 0.73 -0.78 0.58 -0.34 0.00 0.00 178.44 178.55 3md0 h VAL 33 N 1.20 1.54 0.00 1.05 2.07 -0.71 -3.22 116.25 118.18 3md0 h VAL 33 Ca 0.34 -2.71 0.00 0.00 0.82 0.00 0.00 66.70 65.15 3md0 h VAL 33 Cb -0.09 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3md0 h VAL 33 CO -0.08 0.77 -0.25 -0.62 0.02 0.00 0.00 177.57 177.41 3md0 n GLU 34 N -3.58 0.27 -2.45 1.57 1.02 -0.14 -4.79 120.64 112.54 3md0 n GLU 34 Ca -0.01 0.16 -0.36 0.00 -0.02 0.00 0.00 57.16 56.93 3md0 n GLU 34 Cb 0.76 -1.75 -0.03 0.00 -0.02 0.00 0.00 31.44 30.40 3md0 n GLU 34 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3md0 s SER 35 N -4.37 6.53 0.00 1.62 0.15 -0.82 -4.96 113.70 111.85 3md0 s SER 35 Ca 0.09 2.12 0.00 0.00 0.70 0.00 0.00 55.95 58.86 3md0 s SER 35 Cb 0.13 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 3md0 s SER 35 CO 0.65 -0.66 0.14 0.35 1.20 0.00 0.00 173.24 174.92 3md0 n THR 36 N -0.28 0.00 -1.57 6.45 -2.24 -1.26 -4.45 114.28 110.93 3md0 n THR 36 Ca 0.06 -0.49 -0.51 0.00 -2.27 0.00 0.00 64.05 60.85 3md0 n THR 36 Cb 0.49 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.68 3md0 n THR 36 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3md0 n ARG 37 N -0.69 1.06 -0.30 -0.78 1.74 -1.26 -4.74 116.66 111.69 3md0 n ARG 37 Ca 0.00 0.38 0.08 0.00 -0.77 0.00 0.00 57.85 57.54 3md0 n ARG 37 Cb 0.00 -1.93 0.29 0.00 -1.02 0.00 0.00 32.46 29.81 3md0 n ARG 37 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3md0 h PRO 38 N 3.78 0.86 0.00 5.56 0.13 -2.01 -0.20 132.00 140.11 3md0 h PRO 38 Ca -0.45 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 3md0 h PRO 38 Cb 1.35 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3md0 h PRO 38 CO 0.73 0.57 -0.22 -0.44 -0.23 0.00 0.00 178.00 178.40 3md0 h ASP 39 N 0.89 0.00 0.20 1.44 3.32 -2.00 -3.24 116.42 117.03 3md0 h ASP 39 Ca 0.43 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.19 3md0 h ASP 39 Cb 0.46 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.03 3md0 h ASP 39 CO -0.20 0.22 -1.33 0.45 -1.72 0.00 0.00 179.24 176.67 3md0 h HIS 40 N 0.00 0.77 -0.82 4.55 3.86 -1.38 -3.28 115.15 118.85 3md0 h HIS 40 Ca -0.00 -0.56 0.14 0.00 -1.16 0.00 0.00 60.37 58.78 3md0 h HIS 40 Cb 0.46 -0.03 -0.09 0.00 1.06 0.00 0.00 27.41 28.81 3md0 h HIS 40 CO 0.00 1.51 0.41 0.00 0.86 0.00 0.00 177.93 180.71 3md0 h ARG 41 N -0.06 0.58 -0.64 2.45 2.47 -1.53 0.11 114.38 117.77 3md0 h ARG 41 Ca -0.24 -0.03 -0.07 0.00 -1.26 0.00 0.00 59.98 58.37 3md0 h ARG 41 Cb 1.97 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 30.13 3md0 h ARG 41 CO 0.20 0.38 0.10 1.49 0.56 0.00 0.00 179.97 182.71 3md0 h GLU 42 N 0.60 1.05 0.02 0.04 4.57 -1.69 0.18 114.58 119.35 3md0 h GLU 42 Ca 0.44 -0.28 -0.21 0.00 -1.18 0.00 0.00 59.36 58.12 3md0 h GLU 42 Cb 0.60 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 3md0 h GLU 42 CO -0.35 0.97 -1.01 -0.56 -1.18 0.00 0.00 179.01 176.88 3md0 h GLN 43 N 0.97 0.05 -0.55 1.92 3.07 -1.53 -2.90 115.11 116.14 3md0 h GLN 43 Ca 0.19 -0.07 0.05 0.00 0.09 0.00 0.00 58.65 58.91 3md0 h GLN 43 Cb 0.43 0.03 -0.05 0.00 0.08 0.00 0.00 27.48 27.97 3md0 h GLN 43 CO 0.01 1.01 0.28 0.00 0.09 0.00 0.00 178.83 180.22 3md0 h ALA 44 N 0.96 0.71 -0.80 0.06 0.00 -0.54 -0.83 119.26 118.81 3md0 h ALA 44 Ca -0.03 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3md0 h ALA 44 Cb 1.76 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 3md0 h ALA 44 CO 0.14 -0.07 0.51 1.96 0.00 0.00 0.00 179.25 181.79 3md0 h GLN 45 N 0.53 0.98 -0.23 0.00 1.08 -0.64 -1.58 115.11 115.25 3md0 h GLN 45 Ca 0.25 -0.06 -0.13 0.00 -1.45 0.00 0.00 58.65 57.25 3md0 h GLN 45 Cb 0.16 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 3md0 h GLN 45 CO -0.17 0.65 -0.42 1.96 -0.95 0.00 0.00 178.83 179.90 3md0 h GLN 46 N 1.01 0.56 -0.04 1.46 1.08 -1.16 -1.22 115.11 116.79 3md0 h GLN 46 Ca 0.32 -0.29 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3md0 h GLN 46 Cb -0.00 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3md0 h GLN 46 CO -0.11 0.87 0.01 1.25 -0.95 0.00 0.00 178.83 179.91 3md0 h LEU 47 N 0.45 0.07 -0.42 1.46 5.85 -1.00 -2.08 115.31 119.65 3md0 h LEU 47 Ca 0.04 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.59 3md0 h LEU 47 Cb 0.92 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 3md0 h LEU 47 CO 0.08 0.26 0.15 -0.07 -0.34 0.00 0.00 178.44 178.53 3md0 h LEU 48 N -0.13 0.17 -1.23 2.25 3.38 -1.14 0.16 115.31 118.76 3md0 h LEU 48 Ca 0.01 0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.17 3md0 h LEU 48 Cb 0.22 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 3md0 h LEU 48 CO -0.00 0.13 0.59 0.25 0.09 0.00 0.00 178.44 179.50 3md0 h LEU 49 N 0.32 0.71 -0.11 1.67 5.85 -1.14 0.56 115.31 123.17 3md0 h LEU 49 Ca 0.19 0.04 -0.24 0.00 0.84 0.00 0.00 57.88 58.72 3md0 h LEU 49 Cb 0.17 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3md0 h LEU 49 CO -0.19 0.36 -1.01 0.03 -0.34 0.00 0.00 178.44 177.29 3md0 h ARG 50 N 0.75 0.38 0.00 1.25 -0.00 -0.37 -3.32 114.38 113.08 3md0 h ARG 50 Ca 0.46 -0.45 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 3md0 h ARG 50 Cb 0.68 0.14 0.00 0.00 0.00 0.00 0.00 29.97 30.78 3md0 h ARG 50 CO -0.22 1.13 -0.64 -0.07 0.00 0.00 0.00 179.97 180.17 3md0 h LEU 51 N 0.20 0.00 -0.90 3.04 3.38 0.32 -3.38 115.31 117.97 3md0 h LEU 51 Ca -0.09 -0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.01 3md0 h LEU 51 Cb 1.66 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.31 3md0 h LEU 51 CO 0.17 0.02 0.48 0.25 0.09 0.00 0.00 178.44 179.45 3md0 h LEU 52 N 0.00 0.56 -0.70 1.67 5.85 -0.02 0.15 115.31 122.81 3md0 h LEU 52 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3md0 h LEU 52 Cb 0.94 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3md0 h LEU 52 CO 0.00 0.19 0.00 -0.65 -0.34 0.00 0.00 178.44 177.64 3md0 h PRO 53 N 0.61 0.00 -0.10 5.25 0.11 -1.79 -1.92 132.00 134.16 3md0 h PRO 53 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 3md0 h PRO 53 Cb 0.81 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3md0 h PRO 53 CO -0.40 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.14 3md0 n ASP 54 N -2.37 1.62 -4.73 -2.05 9.92 0.02 -4.93 116.55 114.03 3md0 n ASP 54 Ca 0.02 -1.62 -0.22 0.00 -0.53 0.00 0.00 54.79 52.44 3md0 n ASP 54 Cb 0.27 -0.06 0.11 0.00 -0.64 0.00 0.00 41.12 40.80 3md0 n ASP 54 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3md0 n SER 55 N 0.27 1.62 0.00 -2.24 3.41 -0.72 -3.42 113.62 112.53 3md0 n SER 55 Ca 0.17 -2.29 0.00 0.00 -0.26 0.00 0.00 58.87 56.50 3md0 n SER 55 Cb 0.34 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 3md0 n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3md0 n GLY 56 N -2.66 0.69 2.82 5.00 0.00 -1.26 -4.95 105.19 104.82 3md0 n GLY 56 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3md0 n GLY 56 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3md0 n ASN 57 N 0.00 7.34 -3.64 1.61 3.02 -1.26 -4.90 115.26 117.42 3md0 n ASN 57 Ca 0.00 -3.79 -0.10 0.00 -0.03 0.00 0.00 54.58 50.66 3md0 n ASN 57 Cb 0.00 -1.07 -0.04 0.00 -0.61 0.00 0.00 39.78 38.05 3md0 n ASN 57 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3md0 s ALA 58 N -4.13 -0.92 -0.26 5.41 0.00 -1.26 -4.59 121.76 116.00 3md0 s ALA 58 Ca 0.48 -0.07 -0.08 0.00 0.00 0.00 0.00 51.96 52.28 3md0 s ALA 58 Cb 0.36 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 24.16 3md0 s ALA 58 CO -0.32 -0.66 0.11 -1.58 0.00 0.00 0.00 175.76 173.31 3md0 s HIS 59 N -3.81 3.13 -0.25 0.00 2.46 -0.22 -4.97 115.29 111.63 3md0 s HIS 59 Ca 0.04 -0.24 -0.14 0.00 0.47 0.00 0.00 55.06 55.19 3md0 s HIS 59 Cb 0.02 -2.28 -0.04 0.00 -0.13 0.00 0.00 32.58 30.14 3md0 s HIS 59 CO -0.11 -0.28 0.31 1.03 -2.47 0.00 0.00 174.74 173.22 3md0 s ARG 60 N 1.63 4.05 -0.11 2.88 0.52 -1.26 -1.33 118.95 125.33 3md0 s ARG 60 Ca 0.06 -0.03 0.03 0.00 -0.52 0.00 0.00 55.73 55.27 3md0 s ARG 60 Cb -0.15 -3.61 0.01 0.00 0.52 0.00 0.00 34.95 31.72 3md0 s ARG 60 CO 0.06 -0.15 -0.19 0.08 0.02 0.00 0.00 175.30 175.12 3md0 s VAL 61 N 1.68 1.74 0.16 3.52 1.01 0.44 0.24 120.40 129.19 3md0 s VAL 61 Ca 0.13 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 3md0 s VAL 61 Cb -0.15 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 3md0 s VAL 61 CO 0.09 0.49 0.36 -0.83 0.00 0.00 0.00 175.10 175.20 3md0 s GLY 62 N 0.72 1.98 -0.07 4.51 0.00 -0.05 -0.61 107.32 113.80 3md0 s GLY 62 Ca -0.11 -0.75 -0.03 0.00 0.00 0.00 0.00 44.72 43.83 3md0 s GLY 62 CO 0.02 -0.70 0.15 -0.42 0.00 0.00 0.00 173.10 172.15 3md0 s ILE 63 N -1.75 -0.16 0.29 0.90 1.01 -0.49 -0.17 121.20 120.83 3md0 s ILE 63 Ca 0.39 0.28 0.04 0.00 0.00 0.00 0.00 60.65 61.36 3md0 s ILE 63 Cb -0.12 -0.26 -0.03 0.00 0.01 0.00 0.00 42.46 42.06 3md0 s ILE 63 CO 0.27 0.12 0.22 0.28 0.00 0.00 0.00 174.94 175.83 3md0 s THR 64 N 1.76 0.05 0.00 2.92 -1.32 -0.27 -1.80 115.64 116.99 3md0 s THR 64 Ca -0.03 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.45 3md0 s THR 64 Cb -0.12 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.38 3md0 s THR 64 CO -0.06 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 3md0 n GLY 65 N -0.53 3.40 3.75 6.08 0.00 -1.26 -1.15 105.19 115.48 3md0 n GLY 65 Ca 0.05 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 3md0 n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3md0 s VAL 66 N -2.00 2.78 0.22 1.61 -7.23 -1.26 -4.87 120.40 109.64 3md0 s VAL 66 Ca 0.00 0.41 -0.32 0.00 -1.81 0.00 0.00 61.98 60.26 3md0 s VAL 66 Cb 0.00 -2.99 -0.14 0.00 0.56 0.00 0.00 36.38 33.80 3md0 s VAL 66 CO 0.00 -0.18 1.26 -2.65 -0.31 0.00 0.00 175.10 173.22 3md0 n PRO 67 N -2.25 1.58 -0.28 4.82 -0.02 -1.26 -0.85 135.00 136.75 3md0 n PRO 67 Ca 0.12 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3md0 n PRO 67 Cb 0.51 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3md0 n PRO 67 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3md0 n GLY 68 N 1.98 2.38 0.33 -1.23 0.00 -1.26 -4.89 105.19 102.51 3md0 n GLY 68 Ca 0.13 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.37 3md0 n GLY 68 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3md0 h VAL 69 N 0.00 0.08 0.00 1.61 3.04 -1.33 -3.45 116.25 116.20 3md0 h VAL 69 Ca 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3md0 h VAL 69 Cb 0.00 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 3md0 h VAL 69 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.17 3md0 n GLY 70 N -1.11 1.75 0.15 3.17 0.00 -1.26 -4.72 105.19 103.17 3md0 n GLY 70 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 3md0 n GLY 70 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3md0 h LYS 71 N 0.00 -0.27 0.00 1.61 1.57 -1.88 -0.38 116.57 117.22 3md0 h LYS 71 Ca 0.00 0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 3md0 h LYS 71 Cb 0.00 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3md0 h LYS 71 CO 0.00 -0.18 -0.51 0.66 -0.57 0.00 0.00 179.45 178.85 3md0 h SER 72 N -0.28 0.00 -0.48 0.86 4.64 -1.97 -0.42 113.55 115.91 3md0 h SER 72 Ca -0.02 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.19 3md0 h SER 72 Cb 0.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3md0 h SER 72 CO 0.02 0.51 -0.12 0.74 -0.87 0.00 0.00 176.83 177.11 3md0 h THR 73 N 0.00 1.27 -0.36 2.95 2.02 -1.83 -2.35 112.91 114.61 3md0 h THR 73 Ca -0.01 -1.26 -0.16 0.00 0.77 0.00 0.00 66.41 65.75 3md0 h THR 73 Cb 1.21 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.62 3md0 h THR 73 CO 0.07 0.44 -0.42 0.00 0.37 0.00 0.00 175.52 175.98 3md0 h ALA 74 N 1.00 0.56 -0.33 6.16 0.00 -0.23 -2.75 119.26 123.67 3md0 h ALA 74 Ca 0.13 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3md0 h ALA 74 Cb 0.67 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3md0 h ALA 74 CO 0.05 0.68 0.09 0.82 0.00 0.00 0.00 179.25 180.89 3md0 h ILE 75 N 0.74 1.21 -0.43 0.00 2.04 -1.10 0.31 117.51 120.29 3md0 h ILE 75 Ca 0.05 -0.71 0.07 0.00 1.00 0.00 0.00 64.86 65.27 3md0 h ILE 75 Cb 1.01 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.10 3md0 h ILE 75 CO 0.10 0.24 0.09 -0.08 0.00 0.00 0.00 178.15 178.50 3md0 h GLU 76 N 0.37 0.22 -0.24 2.37 4.81 -1.47 0.54 114.58 121.18 3md0 h GLU 76 Ca 0.10 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.19 3md0 h GLU 76 Cb 0.27 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 3md0 h GLU 76 CO -0.00 0.15 -0.35 0.00 -0.73 0.00 0.00 179.01 178.07 3md0 h ALA 77 N 1.32 0.37 -0.40 2.92 0.00 -1.23 -1.15 119.26 121.09 3md0 h ALA 77 Ca 0.21 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3md0 h ALA 77 Cb 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3md0 h ALA 77 CO -0.26 0.43 0.13 1.25 0.00 0.00 0.00 179.25 180.80 3md0 h LEU 78 N 0.38 0.57 -0.75 0.00 5.85 -0.16 -0.45 115.31 120.76 3md0 h LEU 78 Ca 0.03 -0.20 0.17 0.00 0.84 0.00 0.00 57.88 58.72 3md0 h LEU 78 Cb 0.94 -0.15 -0.12 0.00 0.37 0.00 0.00 40.66 41.69 3md0 h LEU 78 CO 0.08 0.61 0.10 1.23 -0.34 0.00 0.00 178.44 180.12 3md0 h GLY 79 N 0.49 0.96 0.93 3.75 0.00 0.13 -0.07 103.07 109.26 3md0 h GLY 79 Ca 0.13 0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.39 3md0 h GLY 79 CO -0.01 -0.26 -0.23 -0.33 0.00 0.00 0.00 176.54 175.71 3md0 h MET 80 N 0.18 0.65 -0.62 4.80 2.86 -0.35 -1.83 114.93 120.61 3md0 h MET 80 Ca 0.42 -0.33 0.13 0.00 -2.06 0.00 0.00 59.70 57.86 3md0 h MET 80 Cb 0.75 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.32 3md0 h MET 80 CO -0.60 0.93 0.09 1.25 1.06 0.00 0.00 176.91 179.64 3md0 h HIS 81 N 0.38 0.12 -0.17 -0.22 6.17 -0.72 -1.84 115.15 118.87 3md0 h HIS 81 Ca 0.05 0.04 -0.14 0.00 0.71 0.00 0.00 60.37 61.03 3md0 h HIS 81 Cb 0.79 0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.76 3md0 h HIS 81 CO 0.07 -0.09 -0.43 -0.07 0.71 0.00 0.00 177.93 178.12 3md0 h LEU 82 N 0.20 0.68 -1.04 0.26 3.38 -0.76 -3.05 115.31 114.97 3md0 h LEU 82 Ca 0.33 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3md0 h LEU 82 Cb 0.53 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3md0 h LEU 82 CO -0.47 1.13 0.49 0.40 0.09 0.00 0.00 178.44 180.09 3md0 h ILE 83 N 0.26 1.24 0.00 1.22 2.04 -1.19 -1.08 117.51 120.00 3md0 h ILE 83 Ca -0.00 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.31 3md0 h ILE 83 Cb 1.04 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3md0 h ILE 83 CO 0.09 0.25 0.00 -0.62 0.00 0.00 0.00 178.15 177.88 3md0 n GLU 84 N -4.36 0.10 -0.12 2.37 1.02 -0.70 -1.85 120.64 117.10 3md0 n GLU 84 Ca 0.09 0.30 0.09 0.00 -0.02 0.00 0.00 57.16 57.62 3md0 n GLU 84 Cb 0.07 -1.67 0.15 0.00 -0.02 0.00 0.00 31.44 29.97 3md0 n GLU 84 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3md0 n ARG 85 N -1.85 2.05 0.00 3.49 1.74 -0.46 -4.98 116.66 116.65 3md0 n ARG 85 Ca 0.03 -1.93 0.00 0.00 -0.77 0.00 0.00 57.85 55.19 3md0 n ARG 85 Cb 0.22 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3md0 n ARG 85 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3md0 n GLY 86 N 1.09 0.55 3.86 -0.13 0.00 -0.77 -5.07 105.19 104.73 3md0 n GLY 86 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3md0 n GLY 86 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3md0 s HIS 87 N -2.00 3.55 -0.23 1.61 3.76 -0.89 -4.99 115.29 116.10 3md0 s HIS 87 Ca 0.00 1.33 -0.05 0.00 -0.15 0.00 0.00 55.06 56.20 3md0 s HIS 87 Cb 0.00 -2.75 -0.01 0.00 1.11 0.00 0.00 32.58 30.93 3md0 s HIS 87 CO 0.00 -0.68 -0.01 1.03 -0.85 0.00 0.00 174.74 174.23 3md0 s ARG 88 N -4.95 3.46 -0.15 1.40 0.52 -1.26 -4.26 118.95 113.71 3md0 s ARG 88 Ca 0.56 -0.58 -0.01 0.00 -0.52 0.00 0.00 55.73 55.18 3md0 s ARG 88 Cb -0.11 -3.10 -0.01 0.00 0.52 0.00 0.00 34.95 32.24 3md0 s ARG 88 CO 0.50 -0.19 -0.11 0.08 0.02 0.00 0.00 175.30 175.59 3md0 s VAL 89 N 1.51 3.11 -0.03 3.52 1.01 0.12 -1.57 120.40 128.07 3md0 s VAL 89 Ca 0.06 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3md0 s VAL 89 Cb -0.14 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3md0 s VAL 89 CO -0.01 0.51 -0.13 0.00 0.00 0.00 0.00 175.10 175.47 3md0 s ALA 90 N 0.56 2.76 -0.17 5.51 0.00 -0.24 -0.64 121.76 129.54 3md0 s ALA 90 Ca -0.07 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.89 3md0 s ALA 90 Cb -0.15 -0.99 0.02 0.00 0.00 0.00 0.00 23.12 21.99 3md0 s ALA 90 CO 0.03 0.57 -0.20 0.08 0.00 0.00 0.00 175.76 176.25 3md0 s VAL 91 N -0.83 2.10 0.16 0.00 1.01 0.54 0.29 120.40 123.67 3md0 s VAL 91 Ca 0.13 -0.94 0.11 0.00 0.00 0.00 0.00 61.98 61.28 3md0 s VAL 91 Cb -0.11 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3md0 s VAL 91 CO 0.03 0.54 -0.25 -0.76 0.00 0.00 0.00 175.10 174.66 3md0 s LEU 92 N 1.14 2.37 -0.08 3.92 1.43 0.13 -2.15 118.68 125.44 3md0 s LEU 92 Ca 0.01 -0.80 0.04 0.00 -1.03 0.00 0.00 54.13 52.36 3md0 s LEU 92 Cb -0.14 -1.17 -0.00 0.00 0.03 0.00 0.00 46.19 44.91 3md0 s LEU 92 CO -0.09 0.14 -0.22 0.00 0.23 0.00 0.00 176.35 176.41 3md0 s ALA 93 N -1.35 1.98 -0.19 4.21 0.00 -1.24 0.19 121.76 125.36 3md0 s ALA 93 Ca 0.16 -0.88 0.16 0.00 0.00 0.00 0.00 51.96 51.40 3md0 s ALA 93 Cb -0.09 -0.72 0.49 0.00 0.00 0.00 0.00 23.12 22.81 3md0 s ALA 93 CO 0.08 0.29 1.39 0.28 0.00 0.00 0.00 175.76 177.80 3md0 n VAL 94 N 3.40 2.27 0.00 0.00 0.31 0.18 -3.76 118.33 120.73 3md0 n VAL 94 Ca -0.19 -2.06 0.00 0.00 -0.01 0.00 0.00 64.34 62.08 3md0 n VAL 94 Cb 0.53 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 3md0 n VAL 94 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3md0 n ARG 111 N -0.73 0.00 -3.43 5.55 0.63 -1.26 -4.91 116.66 112.51 3md0 n ARG 111 Ca 0.22 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.89 3md0 n ARG 111 Cb 0.88 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.69 3md0 n ARG 111 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3md0 n MET 112 N 0.00 0.52 -0.03 -0.14 3.85 -1.26 -4.78 117.12 115.28 3md0 n MET 112 Ca 0.00 -3.38 -0.15 0.00 -1.00 0.00 0.00 57.70 53.17 3md0 n MET 112 Cb 0.00 -1.71 -0.09 0.00 -1.05 0.00 0.00 33.22 30.37 3md0 n MET 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3md0 h ALA 113 N 5.35 0.13 0.00 3.17 0.00 -1.99 -3.12 119.26 122.81 3md0 h ALA 113 Ca 0.23 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3md0 h ALA 113 Cb 0.88 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3md0 h ALA 113 CO 0.44 0.17 -0.16 0.07 0.00 0.00 0.00 179.25 179.77 3md0 h ARG 114 N -0.16 0.00 0.28 0.00 -0.00 -1.98 -2.33 114.38 110.19 3md0 h ARG 114 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.95 3md0 h ARG 114 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.91 3md0 h ARG 114 CO 0.06 0.16 -0.14 1.25 -0.00 0.00 0.00 179.97 181.30 3md0 h LEU 115 N 0.00 -0.32 -0.41 0.08 5.85 -1.87 -3.31 115.31 115.32 3md0 h LEU 115 Ca -0.00 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3md0 h LEU 115 Cb 0.30 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3md0 h LEU 115 CO 0.02 0.03 0.15 0.00 -0.34 0.00 0.00 178.44 178.30 3md0 n ALA 116 N -2.45 0.75 0.09 1.25 0.00 -0.89 -1.29 120.51 117.98 3md0 n ALA 116 Ca -0.09 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3md0 n ALA 116 Cb 0.25 -0.83 -0.04 0.00 0.00 0.00 0.00 19.45 18.83 3md0 n ALA 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3md0 h VAL 117 N 0.00 0.83 -3.52 0.00 2.07 -1.63 -3.47 116.25 110.53 3md0 h VAL 117 Ca 0.00 -2.30 -0.52 0.00 0.82 0.00 0.00 66.70 64.71 3md0 h VAL 117 Cb 0.31 2.33 0.01 0.00 -1.52 0.00 0.00 31.29 32.42 3md0 h VAL 117 CO 0.00 0.48 0.50 -2.28 0.02 0.00 0.00 177.57 176.28 3md0 s HIS 118 N -2.91 3.55 -1.24 1.57 5.04 -0.41 -4.91 115.29 115.98 3md0 s HIS 118 Ca 0.01 1.54 0.11 0.00 -1.54 0.00 0.00 55.06 55.18 3md0 s HIS 118 Cb 0.08 -3.32 0.50 0.00 0.04 0.00 0.00 32.58 29.89 3md0 s HIS 118 CO 0.78 -0.77 1.28 -2.30 -2.34 0.00 0.00 174.74 171.39 3md0 n PRO 119 N 2.52 0.09 -0.20 2.88 -0.02 -1.26 -2.27 135.00 136.73 3md0 n PRO 119 Ca 0.03 0.24 0.09 0.00 -2.02 0.00 0.00 63.50 61.85 3md0 n PRO 119 Cb 0.46 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.64 3md0 n PRO 119 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3md0 n ASN 120 N -1.38 3.26 -4.60 2.55 3.02 -1.26 -4.95 115.26 111.90 3md0 n ASN 120 Ca 0.04 -1.93 -0.30 0.00 -0.03 0.00 0.00 54.58 52.35 3md0 n ASN 120 Cb 0.10 -0.27 -0.10 0.00 -0.61 0.00 0.00 39.78 38.91 3md0 n ASN 120 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3md0 s ALA 121 N -1.18 3.03 -0.07 5.41 0.00 -0.96 -0.71 121.76 127.27 3md0 s ALA 121 Ca 0.34 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 3md0 s ALA 121 Cb 0.19 -0.99 0.03 0.00 0.00 0.00 0.00 23.12 22.34 3md0 s ALA 121 CO 0.26 0.65 -0.01 -0.47 0.00 0.00 0.00 175.76 176.19 3md0 s TYR 122 N -1.19 0.72 -0.16 0.00 5.04 0.18 -4.86 117.35 117.09 3md0 s TYR 122 Ca 0.21 -0.20 -0.00 0.00 -2.44 0.00 0.00 57.07 54.64 3md0 s TYR 122 Cb -0.11 -0.82 -0.01 0.00 0.35 0.00 0.00 41.96 41.37 3md0 s TYR 122 CO 0.13 -0.33 -0.13 0.42 -1.34 0.00 0.00 175.55 174.30 3md0 s ILE 123 N 1.90 2.84 -0.05 3.14 -1.09 -1.26 -0.34 121.20 126.33 3md0 s ILE 123 Ca 0.04 -0.71 0.02 0.00 -2.23 0.00 0.00 60.65 57.77 3md0 s ILE 123 Cb -0.12 -2.21 0.01 0.00 -1.58 0.00 0.00 42.46 38.56 3md0 s ILE 123 CO -0.05 0.51 -0.10 -0.13 -1.23 0.00 0.00 174.94 173.94 3md0 s ARG 124 N 0.78 1.34 0.46 2.79 0.52 -0.91 -5.00 118.95 118.92 3md0 s ARG 124 Ca -0.05 -0.31 -0.20 0.00 -0.52 0.00 0.00 55.73 54.65 3md0 s ARG 124 Cb -0.15 -1.16 -0.10 0.00 0.52 0.00 0.00 34.95 34.06 3md0 s ARG 124 CO 0.01 0.01 0.99 -1.25 0.02 0.00 0.00 175.30 175.08 3md0 s PRO 125 N 0.66 4.01 0.00 3.54 0.04 -1.26 -3.64 135.00 138.35 3md0 s PRO 125 Ca -0.12 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.15 3md0 s PRO 125 Cb -0.14 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3md0 s PRO 125 CO 0.02 -0.24 0.00 -1.13 0.04 0.00 0.00 177.00 175.70 3md0 n SER 126 N -0.84 0.00 -0.54 6.66 3.41 -1.25 -4.90 113.62 116.16 3md0 n SER 126 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 3md0 n SER 126 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3md0 n SER 126 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3md0 n THR 131 N -0.07 0.00 -0.34 6.66 5.66 -1.26 -5.05 114.28 119.87 3md0 n THR 131 Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 3md0 n THR 131 Cb 0.00 -0.20 0.17 0.00 -1.55 0.00 0.00 70.33 68.74 3md0 n THR 131 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 3md0 h LEU 132 N 1.83 1.05 0.31 1.09 5.85 -2.03 -1.15 115.31 122.26 3md0 h LEU 132 Ca 0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3md0 h LEU 132 Cb 0.00 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.79 3md0 h LEU 132 CO 0.00 0.72 -0.15 1.23 -0.34 0.00 0.00 178.44 179.90 3md0 h GLY 133 N 1.22 -0.43 -0.30 3.75 0.00 -2.03 -0.85 103.07 104.42 3md0 h GLY 133 Ca 0.38 0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.90 3md0 h GLY 133 CO -0.11 -0.16 -0.29 -1.33 0.00 0.00 0.00 176.54 174.64 3md0 h GLY 134 N -0.59 -1.55 2.00 4.60 0.00 -1.95 -0.93 103.07 104.65 3md0 h GLY 134 Ca -0.04 0.84 -0.03 0.00 0.00 0.00 0.00 47.33 48.10 3md0 h GLY 134 CO 0.07 -0.44 -0.13 -0.39 0.00 0.00 0.00 176.54 175.65 3md0 h VAL 135 N -0.15 1.06 0.37 4.60 -1.51 -1.17 -0.97 116.25 118.49 3md0 h VAL 135 Ca 0.05 -0.45 -0.02 0.00 -1.23 0.00 0.00 66.70 65.05 3md0 h VAL 135 Cb 0.28 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 30.69 3md0 h VAL 135 CO -0.36 0.13 -0.18 0.74 -1.23 0.00 0.00 177.57 176.67 3md0 h THR 136 N 0.00 0.62 -0.37 7.19 2.02 -0.92 -0.59 112.91 120.86 3md0 h THR 136 Ca -0.00 -0.38 0.08 0.00 0.77 0.00 0.00 66.41 66.88 3md0 h THR 136 Cb 0.23 0.81 -0.08 0.00 -1.74 0.00 0.00 68.15 67.37 3md0 h THR 136 CO 0.02 0.07 -0.21 -0.09 0.37 0.00 0.00 175.52 175.68 3md0 h ARG 137 N -0.72 -0.14 -0.36 6.66 9.65 -0.87 0.17 114.38 128.76 3md0 h ARG 137 Ca -0.05 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.80 3md0 h ARG 137 Cb 0.50 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 3md0 h ARG 137 CO 0.08 -0.09 0.08 0.00 2.80 0.00 0.00 179.97 182.84 3md0 h ALA 138 N 1.08 0.48 0.07 2.80 0.00 -1.17 -1.09 119.26 121.43 3md0 h ALA 138 Ca 0.19 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3md0 h ALA 138 Cb 0.43 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3md0 h ALA 138 CO -0.46 0.16 -0.16 1.15 0.00 0.00 0.00 179.25 179.94 3md0 h THR 139 N 0.44 0.63 -0.70 0.00 2.02 -0.82 0.46 112.91 114.94 3md0 h THR 139 Ca 0.11 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.37 3md0 h THR 139 Cb 0.32 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 67.30 3md0 h THR 139 CO 0.00 0.00 0.37 0.03 0.37 0.00 0.00 175.52 176.29 3md0 h ARG 140 N -0.29 0.64 -0.22 6.66 3.08 -0.46 -0.80 114.38 122.98 3md0 h ARG 140 Ca 0.03 -0.04 -0.20 0.00 0.07 0.00 0.00 59.98 59.84 3md0 h ARG 140 Cb 0.32 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3md0 h ARG 140 CO -0.10 0.42 -0.65 0.93 -1.07 0.00 0.00 179.97 179.49 3md0 h GLU 141 N 0.65 0.81 -0.85 0.04 5.08 -1.14 -2.98 114.58 116.20 3md0 h GLU 141 Ca 0.33 -0.58 0.11 0.00 -1.00 0.00 0.00 59.36 58.22 3md0 h GLU 141 Cb 0.28 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 3md0 h GLU 141 CO -0.23 1.20 0.55 1.15 -1.00 0.00 0.00 179.01 180.69 3md0 h THR 142 N 0.59 0.92 -0.57 1.13 2.02 -0.13 -2.59 112.91 114.28 3md0 h THR 142 Ca -0.02 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 3md0 h THR 142 Cb 1.27 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 3md0 h THR 142 CO 0.14 0.14 0.34 0.58 0.37 0.00 0.00 175.52 177.09 3md0 h VAL 143 N 0.77 1.17 -0.55 3.16 2.07 -1.01 -1.01 116.25 120.84 3md0 h VAL 143 Ca 0.40 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.58 3md0 h VAL 143 Cb 0.51 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 3md0 h VAL 143 CO -0.17 0.18 0.27 0.58 0.02 0.00 0.00 177.57 178.45 3md0 h VAL 144 N 0.77 0.92 0.11 2.57 2.07 -1.45 -0.37 116.25 120.87 3md0 h VAL 144 Ca 0.21 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.55 3md0 h VAL 144 Cb -0.01 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3md0 h VAL 144 CO -0.04 0.09 -0.09 -0.07 0.02 0.00 0.00 177.57 177.48 3md0 h LEU 145 N 0.51 -0.24 -1.09 2.57 3.38 -1.25 -1.02 115.31 118.17 3md0 h LEU 145 Ca 0.25 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.25 3md0 h LEU 145 Cb 0.19 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3md0 h LEU 145 CO -0.19 -0.15 0.62 -0.07 0.09 0.00 0.00 178.44 178.74 3md0 h LEU 146 N -0.22 1.07 -0.52 1.67 3.38 -0.76 0.16 115.31 120.10 3md0 h LEU 146 Ca -0.00 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 3md0 h LEU 146 Cb 0.20 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3md0 h LEU 146 CO -0.01 0.77 -0.56 -0.33 0.09 0.00 0.00 178.44 178.40 3md0 h GLU 147 N 1.26 0.53 -0.46 1.13 5.08 -0.92 -2.03 114.58 119.18 3md0 h GLU 147 Ca 0.34 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 3md0 h GLU 147 Cb -0.14 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3md0 h GLU 147 CO -0.07 0.95 0.02 0.00 -1.00 0.00 0.00 179.01 178.90 3md0 h ALA 148 N 0.98 1.17 0.00 3.43 0.00 -0.48 -2.67 119.26 121.69 3md0 h ALA 148 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3md0 h ALA 148 Cb 1.10 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3md0 h ALA 148 CO 0.10 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.90 3md0 n ALA 149 N -2.47 2.40 -0.03 0.00 0.00 0.51 -4.37 120.51 116.55 3md0 n ALA 149 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3md0 n ALA 149 Cb 0.28 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.48 3md0 n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3md0 n GLY 150 N 0.50 0.33 3.71 0.00 0.00 -1.00 -4.81 105.19 103.91 3md0 n GLY 150 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3md0 n GLY 150 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3md0 s PHE 151 N -2.09 2.95 -0.98 1.61 0.40 -0.80 -4.75 117.98 114.33 3md0 s PHE 151 Ca 0.00 0.67 0.10 0.00 -0.60 0.00 0.00 56.93 57.10 3md0 s PHE 151 Cb 0.00 -3.84 0.01 0.00 0.51 0.00 0.00 43.02 39.71 3md0 s PHE 151 CO 0.00 -3.12 0.67 -0.40 0.70 0.00 0.00 175.22 173.06 3md0 n ASP 152 N 4.47 1.33 -3.78 1.36 3.85 -0.61 -4.31 116.55 118.85 3md0 n ASP 152 Ca 0.14 -1.16 -0.21 0.00 -0.71 0.00 0.00 54.79 52.84 3md0 n ASP 152 Cb 0.41 0.38 -0.17 0.00 -1.35 0.00 0.00 41.12 40.39 3md0 n ASP 152 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3md0 s VAL 153 N -1.26 0.31 -0.23 2.12 1.01 -1.04 -1.05 120.40 120.27 3md0 s VAL 153 Ca 0.09 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.18 3md0 s VAL 153 Cb 0.08 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 36.02 3md0 s VAL 153 CO 0.23 0.23 -0.09 -0.63 0.00 0.00 0.00 175.10 174.84 3md0 s ILE 154 N 1.72 2.82 -0.22 2.22 -1.09 -0.44 -1.08 121.20 125.13 3md0 s ILE 154 Ca 0.01 -0.87 -0.07 0.00 -2.23 0.00 0.00 60.65 57.48 3md0 s ILE 154 Cb -0.13 -2.35 -0.03 0.00 -1.58 0.00 0.00 42.46 38.37 3md0 s ILE 154 CO -0.04 0.33 0.07 -0.76 -1.23 0.00 0.00 174.94 173.31 3md0 s LEU 155 N 1.36 3.61 -0.23 2.97 1.43 0.14 -0.42 118.68 127.53 3md0 s LEU 155 Ca 0.03 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 3md0 s LEU 155 Cb -0.15 -1.94 0.05 0.00 0.03 0.00 0.00 46.19 44.17 3md0 s LEU 155 CO -0.06 0.05 -0.13 -0.63 0.23 0.00 0.00 176.35 175.81 3md0 s ILE 156 N 1.11 2.04 -0.06 -0.59 1.01 0.22 0.18 121.20 125.11 3md0 s ILE 156 Ca 0.04 -1.37 -0.18 0.00 0.00 0.00 0.00 60.65 59.14 3md0 s ILE 156 Cb -0.14 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 3md0 s ILE 156 CO 0.03 0.13 0.50 -0.70 0.00 0.00 0.00 174.94 174.90 3md0 s GLU 157 N 1.20 4.25 0.57 2.79 2.12 0.13 -1.39 118.70 128.37 3md0 s GLU 157 Ca -0.04 0.53 -0.10 0.00 0.36 0.00 0.00 54.97 55.72 3md0 s GLU 157 Cb -0.18 -3.36 0.14 0.00 0.26 0.00 0.00 34.13 30.98 3md0 s GLU 157 CO -0.07 0.33 0.70 0.25 -0.54 0.00 0.00 175.26 175.92 3md0 n THR 158 N 3.01 0.00 0.01 -1.70 -2.24 -0.74 0.49 114.28 113.11 3md0 n THR 158 Ca -0.08 -0.47 -0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3md0 n THR 158 Cb 0.52 -1.58 -0.00 0.00 -2.10 0.00 0.00 70.33 67.17 3md0 n THR 158 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3md0 h GLY 162 N -1.16 -0.02 -2.18 3.38 0.00 -2.04 -3.43 103.07 97.62 3md0 h GLY 162 Ca -0.23 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3md0 h GLY 162 CO 0.16 -0.01 0.00 -0.18 0.00 0.00 0.00 176.54 176.52 3md0 n GLN 163 N -2.08 3.44 0.26 4.80 -0.06 -1.26 -4.74 117.38 117.74 3md0 n GLN 163 Ca -0.00 -2.79 0.16 0.00 -2.00 0.00 0.00 57.00 52.37 3md0 n GLN 163 Cb 0.01 -1.84 0.88 0.00 -4.06 0.00 0.00 30.24 25.23 3md0 n GLN 163 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3md0 h SER 164 N 2.66 0.00 -0.09 1.69 0.87 -1.99 -3.04 113.55 113.64 3md0 h SER 164 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 3md0 h SER 164 Cb 1.44 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.39 3md0 h SER 164 CO 0.24 0.00 -0.07 -0.33 -0.53 0.00 0.00 176.83 176.15 3md0 h GLU 165 N 0.00 0.20 -0.40 2.24 3.07 -1.97 -2.45 114.58 115.27 3md0 h GLU 165 Ca 0.03 -0.10 0.02 0.00 -0.50 0.00 0.00 59.36 58.81 3md0 h GLU 165 Cb 0.20 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.08 3md0 h GLU 165 CO -0.00 0.60 0.24 0.28 -1.40 0.00 0.00 179.01 178.73 3md0 h VAL 166 N -0.19 1.05 -0.37 3.13 2.07 -1.93 0.21 116.25 120.21 3md0 h VAL 166 Ca 0.02 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.43 3md0 h VAL 166 Cb 0.55 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3md0 h VAL 166 CO 0.02 0.09 0.04 0.00 0.02 0.00 0.00 177.57 177.74 3md0 h ALA 167 N 1.17 0.38 -0.33 1.67 0.00 -1.54 -0.03 119.26 120.58 3md0 h ALA 167 Ca 0.16 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3md0 h ALA 167 Cb -0.00 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3md0 h ALA 167 CO -0.07 -0.36 -0.12 0.28 0.00 0.00 0.00 179.25 178.98 3md0 h VAL 168 N 0.16 1.29 -0.94 0.00 2.07 -1.24 -2.98 116.25 114.61 3md0 h VAL 168 Ca 0.18 -1.21 0.13 0.00 0.82 0.00 0.00 66.70 66.62 3md0 h VAL 168 Cb 0.23 1.39 -0.08 0.00 -1.52 0.00 0.00 31.29 31.31 3md0 h VAL 168 CO -0.26 0.39 0.60 0.00 0.02 0.00 0.00 177.57 178.32 3md0 h ALA 169 N 0.78 1.70 0.00 1.67 0.00 -0.68 -0.40 119.26 122.33 3md0 h ALA 169 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3md0 h ALA 169 Cb 0.64 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3md0 h ALA 169 CO 0.04 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.44 3md0 n ASN 170 N -4.59 0.00 -0.08 0.00 3.02 -0.05 -3.29 115.26 110.27 3md0 n ASN 170 Ca 0.18 -0.48 0.03 0.00 -0.03 0.00 0.00 54.58 54.28 3md0 n ASN 170 Cb 0.42 -0.12 0.05 0.00 -0.61 0.00 0.00 39.78 39.51 3md0 n ASN 170 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 3md0 n MET 171 N -1.12 1.71 -4.34 3.52 0.00 -0.18 -4.83 117.12 111.87 3md0 n MET 171 Ca 0.16 -1.69 -0.17 0.00 0.00 0.00 0.00 57.70 55.99 3md0 n MET 171 Cb 0.13 -1.06 -0.10 0.00 0.00 0.00 0.00 33.22 32.20 3md0 n MET 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 3md0 s VAL 172 N -1.41 1.19 -0.05 3.17 -7.23 -1.07 -4.96 120.40 110.03 3md0 s VAL 172 Ca 0.11 -2.06 0.13 0.00 -1.81 0.00 0.00 61.98 58.35 3md0 s VAL 172 Cb 0.10 -2.29 -0.20 0.00 0.56 0.00 0.00 36.38 34.55 3md0 s VAL 172 CO 0.01 -0.38 0.77 0.44 -0.31 0.00 0.00 175.10 175.63 3md0 h ASP 173 N 2.48 0.00 -3.25 4.85 3.32 -0.53 -3.46 116.42 119.83 3md0 h ASP 173 Ca -0.38 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.26 3md0 h ASP 173 Cb 1.22 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 40.38 3md0 h ASP 173 CO 0.65 0.90 -0.75 -0.89 -1.72 0.00 0.00 179.24 177.43 3md0 s THR 174 N -2.69 0.06 -0.29 0.35 2.01 -0.95 -5.01 115.64 109.13 3md0 s THR 174 Ca -0.04 0.20 -0.11 0.00 0.31 0.00 0.00 61.69 62.05 3md0 s THR 174 Cb 0.08 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 72.18 3md0 s THR 174 CO 0.82 0.10 0.20 0.12 -0.69 0.00 0.00 174.62 175.18 3md0 s PHE 175 N 2.10 3.22 -0.16 4.92 5.36 -1.26 -0.87 117.98 131.28 3md0 s PHE 175 Ca 0.04 0.09 -0.05 0.00 -0.96 0.00 0.00 56.93 56.05 3md0 s PHE 175 Cb -0.13 -2.40 -0.03 0.00 -0.34 0.00 0.00 43.02 40.11 3md0 s PHE 175 CO -0.05 -0.19 0.02 0.08 -1.46 0.00 0.00 175.22 173.62 3md0 s VAL 176 N 1.77 4.41 -0.22 3.12 1.01 0.76 -0.20 120.40 131.04 3md0 s VAL 176 Ca 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 3md0 s VAL 176 Cb -0.16 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 3md0 s VAL 176 CO 0.11 0.49 -0.04 -0.22 0.00 0.00 0.00 175.10 175.44 3md0 s LEU 177 N 0.21 2.92 -0.08 3.92 2.96 -0.19 -1.12 118.68 127.31 3md0 s LEU 177 Ca 0.01 -0.38 -0.12 0.00 -0.22 0.00 0.00 54.13 53.43 3md0 s LEU 177 Cb -0.13 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 3md0 s LEU 177 CO 0.01 -0.01 0.28 -0.76 -1.32 0.00 0.00 176.35 174.55 3md0 s LEU 178 N 1.44 4.39 0.38 -0.68 1.02 -0.30 0.53 118.68 125.46 3md0 s LEU 178 Ca 0.05 0.67 0.06 0.00 0.02 0.00 0.00 54.13 54.93 3md0 s LEU 178 Cb -0.14 -2.34 -0.02 0.00 0.02 0.00 0.00 46.19 43.71 3md0 s LEU 178 CO -0.03 0.31 0.22 0.42 0.02 0.00 0.00 176.35 177.29 3md0 s THR 179 N -0.70 0.23 0.00 5.49 -4.23 0.96 -4.37 115.64 113.02 3md0 s THR 179 Ca 0.19 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.59 3md0 s THR 179 Cb -0.14 -2.40 -0.05 0.00 1.34 0.00 0.00 72.50 71.25 3md0 s THR 179 CO 0.07 0.00 0.33 -0.76 -0.54 0.00 0.00 174.62 173.72 3md0 s LEU 180 N -3.50 4.40 -0.07 4.79 1.43 -0.98 -0.50 118.68 124.25 3md0 s LEU 180 Ca 0.32 0.74 -0.04 0.00 -1.03 0.00 0.00 54.13 54.12 3md0 s LEU 180 Cb 0.02 -2.62 -0.12 0.00 0.03 0.00 0.00 46.19 43.49 3md0 s LEU 180 CO 0.22 0.28 2.95 0.00 0.23 0.00 0.00 176.35 180.04 3md0 n ALA 181 N 1.43 5.62 -3.84 4.21 0.00 -0.81 -4.22 120.51 122.90 3md0 n ALA 181 Ca -0.13 -1.43 -0.34 0.00 0.00 0.00 0.00 53.44 51.54 3md0 n ALA 181 Cb 0.53 -1.86 -0.15 0.00 0.00 0.00 0.00 19.45 17.97 3md0 n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3md0 s ARG 182 N 0.21 3.05 0.19 0.00 1.81 -1.26 -3.93 118.95 119.03 3md0 s ARG 182 Ca 0.44 -0.81 -0.32 0.00 -1.72 0.00 0.00 55.73 53.32 3md0 s ARG 182 Cb 0.23 -2.81 -0.12 0.00 -0.45 0.00 0.00 34.95 31.80 3md0 s ARG 182 CO -0.03 -0.26 1.73 -2.37 -0.68 0.00 0.00 175.30 173.69 3md0 n THR 183 N 4.68 0.04 -0.66 0.02 5.66 -1.26 -0.59 114.28 122.17 3md0 n THR 183 Ca -0.19 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 3md0 n THR 183 Cb 0.49 -1.96 0.00 0.00 -1.55 0.00 0.00 70.33 67.31 3md0 n THR 183 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3md0 n GLY 184 N 3.96 0.76 0.20 1.09 0.00 -1.26 -4.81 105.19 105.13 3md0 n GLY 184 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 3md0 n GLY 184 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3md0 n ASP 185 N 0.00 0.59 -0.35 1.61 8.00 0.25 -4.91 116.55 121.74 3md0 n ASP 185 Ca 0.00 -1.82 0.12 0.00 0.71 0.00 0.00 54.79 53.80 3md0 n ASP 185 Cb 0.00 -0.14 0.31 0.00 -0.02 0.00 0.00 41.12 41.27 3md0 n ASP 185 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 3md0 h GLN 186 N 0.00 0.79 -0.59 -1.24 7.50 -1.63 -2.56 115.11 117.38 3md0 h GLN 186 Ca 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.10 3md0 h GLN 186 Cb 1.09 -0.18 0.00 0.00 0.05 0.00 0.00 27.48 28.45 3md0 h GLN 186 CO 0.00 0.52 0.00 1.28 -1.50 0.00 0.00 178.83 179.13 3md0 n LEU 187 N -4.70 4.07 -4.72 1.46 4.77 -1.26 -2.31 117.00 114.32 3md0 n LEU 187 Ca 0.22 -2.25 -0.61 0.00 -0.03 0.00 0.00 56.01 53.34 3md0 n LEU 187 Cb 0.51 -0.48 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 3md0 n LEU 187 CO 0.24 0.85 1.25 1.67 -1.33 0.00 0.00 177.39 180.06 3md0 n GLN 188 N 1.06 0.76 -0.17 3.23 7.27 -0.96 -0.92 117.38 127.65 3md0 n GLN 188 Ca 0.22 0.28 0.00 0.00 0.07 0.00 0.00 57.00 57.57 3md0 n GLN 188 Cb 0.71 -1.90 0.00 0.00 2.41 0.00 0.00 30.24 31.46 3md0 n GLN 188 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3md0 n GLY 189 N 4.04 1.10 3.71 1.69 0.00 -1.26 -4.87 105.19 109.61 3md0 n GLY 189 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 3md0 n GLY 189 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3md0 s ILE 190 N -2.62 4.95 0.33 -0.61 -1.09 -0.09 -4.91 121.20 117.15 3md0 s ILE 190 Ca 0.00 1.75 -0.29 0.00 -2.23 0.00 0.00 60.65 59.88 3md0 s ILE 190 Cb 0.00 -4.18 -0.11 0.00 -1.58 0.00 0.00 42.46 36.59 3md0 s ILE 190 CO 0.00 0.21 1.57 2.29 -1.23 0.00 0.00 174.94 177.78 3md0 n LYS 191 N 3.80 2.73 -2.16 2.79 2.85 -1.26 -4.93 118.16 121.97 3md0 n LYS 191 Ca 0.02 0.97 -0.36 0.00 -1.05 0.00 0.00 58.31 57.89 3md0 n LYS 191 Cb 0.51 -2.74 0.01 0.00 -0.65 0.00 0.00 35.03 32.16 3md0 n LYS 191 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 3md0 s LYS 192 N -1.10 3.39 0.00 -1.58 -2.85 -1.26 -2.47 119.74 113.87 3md0 s LYS 192 Ca 0.60 1.78 0.00 0.00 -1.00 0.00 0.00 55.97 57.35 3md0 s LYS 192 Cb -0.48 -2.15 0.00 0.00 -2.06 0.00 0.00 37.83 33.14 3md0 s LYS 192 CO 0.54 -0.86 0.00 0.41 0.10 0.00 0.00 175.35 175.54 3md0 n GLY 193 N 0.39 2.98 0.26 0.59 0.00 -1.26 -4.91 105.19 103.25 3md0 n GLY 193 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.16 3md0 n GLY 193 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3md0 h VAL 194 N 0.00 1.13 -0.56 1.61 2.07 -1.86 -1.81 116.25 116.83 3md0 h VAL 194 Ca 0.00 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 67.04 3md0 h VAL 194 Cb 0.00 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3md0 h VAL 194 CO 0.00 0.17 0.37 0.25 0.02 0.00 0.00 177.57 178.38 3md0 h LEU 195 N 0.24 0.51 0.00 2.57 5.85 -1.91 0.59 115.31 123.17 3md0 h LEU 195 Ca 0.06 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3md0 h LEU 195 Cb 0.23 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3md0 h LEU 195 CO 0.01 0.35 0.00 -0.62 -0.34 0.00 0.00 178.44 177.83 3md0 n GLU 196 N -4.47 0.19 0.11 1.25 4.71 -0.68 -2.78 120.64 118.96 3md0 n GLU 196 Ca 0.07 0.04 0.01 0.00 -0.01 0.00 0.00 57.16 57.27 3md0 n GLU 196 Cb 0.19 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.11 3md0 n GLU 196 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3md0 h LEU 197 N 0.00 0.00 -9.43 -4.62 3.38 -0.93 -3.46 115.31 100.25 3md0 h LEU 197 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 3md0 h LEU 197 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3md0 h LEU 197 CO 0.00 0.56 0.75 0.00 0.09 0.00 0.00 178.44 179.83 3md0 s ALA 198 N -2.93 3.54 -0.28 1.53 0.00 -1.12 -4.70 121.76 117.79 3md0 s ALA 198 Ca 0.02 0.91 0.19 0.00 0.00 0.00 0.00 51.96 53.08 3md0 s ALA 198 Cb 0.08 -3.55 0.17 0.00 0.00 0.00 0.00 23.12 19.83 3md0 s ALA 198 CO 0.76 -0.74 1.47 -0.44 0.00 0.00 0.00 175.76 176.82 3md0 h ASP 199 N 7.36 0.00 -3.71 0.00 3.32 -0.93 -3.44 116.42 119.02 3md0 h ASP 199 Ca -0.39 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.46 3md0 h ASP 199 Cb 1.19 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.47 3md0 h ASP 199 CO 0.87 0.26 -0.55 -0.63 -1.72 0.00 0.00 179.24 177.48 3md0 s ILE 200 N -3.09 -0.01 -0.09 0.35 1.01 -1.08 -4.09 121.20 114.20 3md0 s ILE 200 Ca 0.05 0.04 0.04 0.00 0.00 0.00 0.00 60.65 60.77 3md0 s ILE 200 Cb 0.07 -0.23 -0.01 0.00 0.01 0.00 0.00 42.46 42.30 3md0 s ILE 200 CO 0.72 0.01 -0.22 -0.69 0.00 0.00 0.00 174.94 174.76 3md0 s VAL 201 N 0.31 2.26 -0.18 2.92 1.01 -0.72 -1.02 120.40 124.99 3md0 s VAL 201 Ca -0.02 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3md0 s VAL 201 Cb -0.03 -1.86 0.04 0.00 0.00 0.00 0.00 36.38 34.52 3md0 s VAL 201 CO -0.01 0.56 -0.09 -0.69 0.00 0.00 0.00 175.10 174.87 3md0 s VAL 202 N 0.16 1.41 -0.60 2.92 1.01 0.19 -0.11 120.40 125.37 3md0 s VAL 202 Ca -0.12 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 60.79 3md0 s VAL 202 Cb -0.16 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.75 3md0 s VAL 202 CO 0.07 0.20 1.26 -0.69 0.00 0.00 0.00 175.10 175.94 3md0 s VAL 203 N 1.51 3.91 0.40 2.92 1.01 0.58 -0.03 120.40 130.70 3md0 s VAL 203 Ca 0.01 0.77 0.02 0.00 0.00 0.00 0.00 61.98 62.77 3md0 s VAL 203 Cb -0.15 -4.70 -0.01 0.00 0.00 0.00 0.00 36.38 31.52 3md0 s VAL 203 CO -0.08 -1.39 0.60 0.21 0.00 0.00 0.00 175.10 174.43 3md0 s ASN 204 N 3.44 5.96 -1.15 3.32 2.47 0.34 -1.03 114.94 128.30 3md0 s ASN 204 Ca 0.44 0.21 -0.02 0.00 0.42 0.00 0.00 52.86 53.91 3md0 s ASN 204 Cb -0.08 -1.58 0.00 0.00 -1.45 0.00 0.00 41.25 38.14 3md0 s ASN 204 CO 0.24 -0.55 0.33 0.29 -3.72 0.00 0.00 177.10 173.68 3md0 n LYS 205 N -1.91 -2.92 -0.87 0.43 5.02 -0.72 -1.93 118.16 115.26 3md0 n LYS 205 Ca -0.00 0.67 -0.27 0.00 -2.02 0.00 0.00 58.31 56.68 3md0 n LYS 205 Cb 0.57 -4.98 -0.02 0.00 -0.02 0.00 0.00 35.03 30.58 3md0 n LYS 205 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3md0 n ALA 206 N -2.72 4.66 -3.58 7.82 0.00 0.51 -4.75 120.51 122.46 3md0 n ALA 206 Ca -0.10 -2.35 -0.09 0.00 0.00 0.00 0.00 53.44 50.89 3md0 n ALA 206 Cb 0.60 -3.14 -0.03 0.00 0.00 0.00 0.00 19.45 16.88 3md0 n ALA 206 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3md0 n ASP 207 N 4.77 -0.53 0.00 0.00 5.68 -1.26 -4.66 116.55 120.55 3md0 n ASP 207 Ca 0.48 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.74 3md0 n ASP 207 Cb 0.19 1.08 0.00 0.00 -1.14 0.00 0.00 41.12 41.25 3md0 n ASP 207 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3md0 n GLY 208 N -0.31 3.98 0.00 6.12 0.00 -1.26 -1.61 105.19 112.12 3md0 n GLY 208 Ca 0.02 0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.35 3md0 n GLY 208 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3md0 n GLU 209 N 14.00 0.35 -1.80 1.61 0.28 -1.26 -4.12 120.64 129.70 3md0 n GLU 209 Ca 0.00 0.01 -0.23 0.00 -0.16 0.00 0.00 57.16 56.78 3md0 n GLU 209 Cb 0.00 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 31.42 3md0 n GLU 209 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3md0 n HIS 210 N -1.32 2.61 0.07 -1.84 8.25 -0.63 -4.74 115.22 117.62 3md0 n HIS 210 Ca 0.13 -2.27 -0.13 0.00 -0.26 0.00 0.00 57.72 55.19 3md0 n HIS 210 Cb 0.25 -0.49 -0.08 0.00 1.12 0.00 0.00 29.99 30.78 3md0 n HIS 210 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3md0 h HIS 211 N 2.05 -0.15 -0.15 4.41 3.86 -1.72 -1.96 115.15 121.49 3md0 h HIS 211 Ca 0.38 -0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.41 3md0 h HIS 211 Cb 1.42 0.05 0.01 0.00 1.06 0.00 0.00 27.41 29.94 3md0 h HIS 211 CO 0.93 0.13 -0.58 0.87 0.86 0.00 0.00 177.93 180.15 3md0 h LYS 212 N -0.44 0.66 -0.82 2.45 6.56 -1.94 -3.16 116.57 119.88 3md0 h LYS 212 Ca -0.02 -0.51 0.12 0.00 -1.06 0.00 0.00 60.65 59.18 3md0 h LYS 212 Cb 0.36 0.10 -0.08 0.00 -0.57 0.00 0.00 32.23 32.03 3md0 h LYS 212 CO 0.03 1.13 0.43 1.49 -2.06 0.00 0.00 179.45 180.47 3md0 h GLU 213 N 0.34 0.65 -1.01 3.15 4.81 -1.87 -1.98 114.58 118.67 3md0 h GLU 213 Ca -0.03 -0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.32 3md0 h GLU 213 Cb 1.21 -0.15 -0.10 0.00 0.63 0.00 0.00 28.75 30.35 3md0 h GLU 213 CO 0.12 0.43 0.62 0.00 -0.73 0.00 0.00 179.01 179.46 3md0 h ALA 214 N 1.50 1.61 -0.24 2.92 0.00 -1.32 0.20 119.26 123.92 3md0 h ALA 214 Ca 0.42 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.22 3md0 h ALA 214 Cb 0.51 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3md0 h ALA 214 CO -0.31 0.07 -0.51 0.07 0.00 0.00 0.00 179.25 178.58 3md0 h ARG 215 N 0.87 0.68 0.02 0.00 -0.00 -1.36 -1.67 114.38 112.92 3md0 h ARG 215 Ca 0.54 -0.41 -0.21 0.00 -0.00 0.00 0.00 59.98 59.91 3md0 h ARG 215 Cb 0.72 0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 30.72 3md0 h ARG 215 CO -0.33 1.02 -0.94 -0.07 -0.00 0.00 0.00 179.97 179.66 3md0 h LEU 216 N 0.53 0.29 -0.60 0.08 3.38 -1.08 -2.01 115.31 115.89 3md0 h LEU 216 Ca 0.02 -0.25 -0.14 0.00 0.09 0.00 0.00 57.88 57.60 3md0 h LEU 216 Cb 1.06 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3md0 h LEU 216 CO 0.10 1.07 -0.45 0.00 0.09 0.00 0.00 178.44 179.26 3md0 h ALA 217 N 0.90 0.78 -0.24 1.53 0.00 -0.47 0.37 119.26 122.13 3md0 h ALA 217 Ca -0.06 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 3md0 h ALA 217 Cb 1.59 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 3md0 h ALA 217 CO 0.14 0.66 -0.04 0.00 0.00 0.00 0.00 179.25 180.02 3md0 h ALA 218 N 1.03 0.33 -0.30 0.00 0.00 -1.27 -1.98 119.26 117.08 3md0 h ALA 218 Ca 0.03 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 3md0 h ALA 218 Cb 0.97 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3md0 h ALA 218 CO 0.09 0.11 -0.17 0.07 0.00 0.00 0.00 179.25 179.34 3md0 h ARG 219 N 0.21 0.55 -0.51 0.00 -0.00 -1.08 0.11 114.38 113.66 3md0 h ARG 219 Ca 0.06 -0.18 0.01 0.00 -0.00 0.00 0.00 59.98 59.87 3md0 h ARG 219 Cb 0.48 -0.05 -0.03 0.00 -0.00 0.00 0.00 29.97 30.38 3md0 h ARG 219 CO 0.02 0.70 0.33 0.93 -0.00 0.00 0.00 179.97 181.95 3md0 h GLU 220 N 0.50 0.65 -0.37 0.08 5.08 -0.84 -1.75 114.58 117.93 3md0 h GLU 220 Ca 0.08 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 3md0 h GLU 220 Cb 0.58 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3md0 h GLU 220 CO 0.04 0.43 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.27 3md0 h LEU 221 N 0.67 0.76 -0.83 1.33 3.38 -0.45 -2.31 115.31 117.88 3md0 h LEU 221 Ca 0.19 -0.39 0.18 0.00 0.09 0.00 0.00 57.88 57.95 3md0 h LEU 221 Cb -0.06 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 40.37 3md0 h LEU 221 CO -0.05 0.98 0.34 0.28 0.09 0.00 0.00 178.44 180.08 3md0 h SER 222 N 0.54 0.29 -0.64 -0.43 0.02 -0.82 -0.34 113.55 112.17 3md0 h SER 222 Ca 0.09 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 3md0 h SER 222 Cb 0.68 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.30 3md0 h SER 222 CO 0.05 0.06 0.36 0.00 -1.14 0.00 0.00 176.83 176.15 3md0 h ALA 223 N 1.63 0.82 -0.44 3.77 0.00 -0.78 -0.57 119.26 123.69 3md0 h ALA 223 Ca 0.48 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.16 3md0 h ALA 223 Cb 0.82 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3md0 h ALA 223 CO -0.47 0.33 -0.23 0.00 0.00 0.00 0.00 179.25 178.88 3md0 h ALA 224 N 1.18 0.62 -0.43 0.00 0.00 -0.92 -2.22 119.26 117.49 3md0 h ALA 224 Ca 0.23 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3md0 h ALA 224 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3md0 h ALA 224 CO -0.04 0.61 0.13 0.82 0.00 0.00 0.00 179.25 180.77 3md0 h ILE 225 N 0.76 1.18 -0.44 0.00 2.04 -0.69 -0.87 117.51 119.49 3md0 h ILE 225 Ca 0.09 -0.62 -0.06 0.00 1.00 0.00 0.00 64.86 65.28 3md0 h ILE 225 Cb 0.81 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 3md0 h ILE 225 CO 0.07 0.23 0.04 0.03 0.00 0.00 0.00 178.15 178.52 3md0 h ARG 226 N 0.61 0.70 -0.08 2.37 3.08 -0.93 0.21 114.38 120.35 3md0 h ARG 226 Ca 0.14 -0.16 -0.17 0.00 0.07 0.00 0.00 59.98 59.86 3md0 h ARG 226 Cb 0.20 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3md0 h ARG 226 CO -0.01 0.69 -0.69 -0.07 -1.07 0.00 0.00 179.97 178.82 3md0 h LEU 227 N 0.67 0.43 0.00 3.04 3.38 -0.62 -2.84 115.31 119.37 3md0 h LEU 227 Ca 0.14 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3md0 h LEU 227 Cb 0.36 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3md0 h LEU 227 CO 0.01 0.99 -0.12 0.40 0.09 0.00 0.00 178.44 179.81 3md0 h ILE 228 N 0.25 0.00 -1.70 1.22 2.04 -0.99 -3.34 117.51 114.99 3md0 h ILE 228 Ca -0.02 -0.97 -0.51 0.00 1.00 0.00 0.00 64.86 64.36 3md0 h ILE 228 Cb 1.25 1.90 -0.41 0.00 -0.74 0.00 0.00 36.82 38.83 3md0 h ILE 228 CO 0.12 0.00 -0.91 -1.22 0.00 0.00 0.00 178.15 176.13 3md0 n TYR 229 N -3.00 2.38 0.14 1.37 4.01 0.74 -4.97 117.16 117.83 3md0 n TYR 229 Ca 0.04 -3.42 0.03 0.00 -0.16 0.00 0.00 57.90 54.39 3md0 n TYR 229 Cb 0.53 -0.33 0.43 0.00 -0.31 0.00 0.00 39.34 39.66 3md0 n TYR 229 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3md0 h PRO 230 N 2.87 0.20 0.00 -0.72 0.13 -1.63 -3.05 132.00 129.80 3md0 h PRO 230 Ca 0.12 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 65.13 3md0 h PRO 230 Cb 0.88 -0.03 -0.17 0.00 0.13 0.00 0.00 31.00 31.81 3md0 h PRO 230 CO 0.69 0.31 -0.72 0.54 -0.23 0.00 0.00 178.00 178.59 3md0 n ARG 231 N -4.32 0.88 -1.87 0.86 1.74 -1.26 -5.03 116.66 107.66 3md0 n ARG 231 Ca -0.01 -2.70 -0.42 0.00 -0.77 0.00 0.00 57.85 53.95 3md0 n ARG 231 Cb 0.23 -0.91 -0.02 0.00 -1.02 0.00 0.00 32.46 30.74 3md0 n ARG 231 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3md0 s GLU 232 N -1.80 4.18 -0.08 5.56 2.56 -1.15 -4.94 118.70 123.02 3md0 s GLU 232 Ca 0.36 2.46 0.11 0.00 0.00 0.00 0.00 54.97 57.90 3md0 s GLU 232 Cb 0.37 -3.08 -0.15 0.00 2.00 0.00 0.00 34.13 33.27 3md0 s GLU 232 CO -0.11 -0.58 0.11 0.00 -0.56 0.00 0.00 175.26 174.12 3md0 n ALA 233 N 2.70 1.94 -0.06 6.30 0.00 -1.26 -4.83 120.51 125.29 3md0 n ALA 233 Ca 0.09 -0.61 -0.04 0.00 0.00 0.00 0.00 53.44 52.88 3md0 n ALA 233 Cb 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 19.45 19.70 3md0 n ALA 233 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3md0 h LEU 234 N 0.00 0.00 -6.68 0.00 5.85 -2.01 -3.47 115.31 109.00 3md0 h LEU 234 Ca -0.22 -0.06 -0.36 0.00 0.84 0.00 0.00 57.88 58.09 3md0 h LEU 234 Cb 1.36 0.00 -0.35 0.00 0.37 0.00 0.00 40.66 42.04 3md0 h LEU 234 CO 0.01 0.70 -0.65 0.86 -0.34 0.00 0.00 178.44 179.02 3md0 s TRP 235 N -1.98 -0.25 -0.30 1.25 -0.11 -1.26 -4.99 118.94 111.30 3md0 s TRP 235 Ca -0.10 -0.10 -0.17 0.00 1.22 0.00 0.00 56.10 56.95 3md0 s TRP 235 Cb 0.01 -0.49 -0.02 0.00 -1.50 0.00 0.00 33.47 31.48 3md0 s TRP 235 CO 0.17 -0.76 0.47 0.50 -4.62 0.00 0.00 176.95 172.71 3md0 s ARG 236 N 2.30 3.89 -0.46 5.86 3.52 -1.26 -5.00 118.95 127.80 3md0 s ARG 236 Ca 0.08 0.06 -0.42 0.00 -0.13 0.00 0.00 55.73 55.33 3md0 s ARG 236 Cb -0.15 -3.71 -0.17 0.00 -1.56 0.00 0.00 34.95 29.36 3md0 s ARG 236 CO -0.24 -0.43 2.14 -2.30 -0.81 0.00 0.00 175.30 173.66 3md0 n PRO 237 N 5.55 0.30 -1.54 5.12 -0.02 -1.26 -4.93 135.00 138.22 3md0 n PRO 237 Ca -0.06 0.08 -0.31 0.00 -2.02 0.00 0.00 63.50 61.19 3md0 n PRO 237 Cb 0.50 -1.77 0.06 0.00 -0.02 0.00 0.00 33.50 32.27 3md0 n PRO 237 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3md0 s PRO 238 N 5.99 2.74 -0.17 0.52 0.04 -1.26 -4.82 135.00 138.05 3md0 s PRO 238 Ca 1.17 1.10 0.01 0.00 0.04 0.00 0.00 61.00 63.32 3md0 s PRO 238 Cb -1.32 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 31.28 3md0 s PRO 238 CO 0.62 -1.26 -0.20 0.08 0.04 0.00 0.00 177.00 176.27 3md0 s VAL 239 N -2.86 2.06 0.29 -0.36 1.01 -1.26 -1.75 120.40 117.53 3md0 s VAL 239 Ca 0.61 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.72 3md0 s VAL 239 Cb -0.16 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3md0 s VAL 239 CO 0.52 0.54 0.09 -0.76 0.00 0.00 0.00 175.10 175.49 3md0 s LEU 240 N 1.18 3.35 0.18 3.92 1.43 0.84 -4.99 118.68 124.59 3md0 s LEU 240 Ca 0.02 -0.60 0.06 0.00 -1.03 0.00 0.00 54.13 52.58 3md0 s LEU 240 Cb -0.14 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 3md0 s LEU 240 CO -0.10 -0.11 0.13 0.42 0.23 0.00 0.00 176.35 176.92 3md0 s THR 241 N -2.32 4.39 -0.00 5.49 -4.23 -1.26 -0.31 115.64 117.40 3md0 s THR 241 Ca 0.34 -1.18 -0.23 0.00 -1.18 0.00 0.00 61.69 59.44 3md0 s THR 241 Cb -0.06 -3.26 0.05 0.00 1.34 0.00 0.00 72.50 70.57 3md0 s THR 241 CO 0.22 -0.15 0.51 -0.32 -0.54 0.00 0.00 174.62 174.33 3md0 s MET 242 N -3.22 0.94 -0.44 3.99 1.75 -0.19 -4.70 119.30 117.42 3md0 s MET 242 Ca 0.31 -0.07 0.02 0.00 -1.25 0.00 0.00 55.69 54.70 3md0 s MET 242 Cb -0.10 0.43 0.15 0.00 2.84 0.00 0.00 34.83 38.16 3md0 s MET 242 CO 0.23 -0.30 0.29 0.45 -0.65 0.00 0.00 175.02 175.04 3md0 s SER 243 N -1.55 2.94 0.58 1.11 0.15 0.46 -0.36 113.70 117.02 3md0 s SER 243 Ca -0.09 -2.78 0.36 0.00 0.70 0.00 0.00 55.95 54.13 3md0 s SER 243 Cb -0.02 -0.75 1.66 0.00 -1.71 0.00 0.00 66.02 65.20 3md0 s SER 243 CO 0.04 -0.23 2.10 0.00 1.20 0.00 0.00 173.24 176.34 3md0 h ALA 244 N 6.33 1.02 0.00 5.45 0.00 -1.94 0.13 119.26 130.25 3md0 h ALA 244 Ca 0.11 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 3md0 h ALA 244 Cb 0.91 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3md0 h ALA 244 CO 0.42 0.02 -1.27 -0.24 0.00 0.00 0.00 179.25 178.18 3md0 h VAL 245 N 0.00 1.20 -0.48 0.00 3.04 -1.92 -3.25 116.25 114.83 3md0 h VAL 245 Ca -0.00 -2.92 0.00 0.00 -1.01 0.00 0.00 66.70 62.77 3md0 h VAL 245 Cb 0.37 2.57 0.00 0.00 -2.01 0.00 0.00 31.29 32.22 3md0 h VAL 245 CO 0.00 0.68 0.00 -0.62 -1.01 0.00 0.00 177.57 176.63 3md0 n GLU 246 N -3.18 2.39 -3.08 4.17 1.02 -0.74 -4.94 120.64 116.27 3md0 n GLU 246 Ca -0.07 -1.85 -0.20 0.00 -0.02 0.00 0.00 57.16 55.02 3md0 n GLU 246 Cb 0.96 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.89 3md0 n GLU 246 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3md0 n GLY 247 N 1.16 -0.49 3.64 0.62 0.00 -0.66 -4.98 105.19 104.49 3md0 n GLY 247 Ca 0.17 0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 3md0 n GLY 247 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3md0 s ARG 248 N -5.71 3.41 0.00 1.61 1.70 0.38 -4.54 118.95 115.80 3md0 s ARG 248 Ca 0.28 -0.40 0.00 0.00 -0.47 0.00 0.00 55.73 55.14 3md0 s ARG 248 Cb -0.15 -2.95 0.00 0.00 -0.57 0.00 0.00 34.95 31.29 3md0 s ARG 248 CO 0.35 0.50 0.00 0.41 -1.08 0.00 0.00 175.30 175.47 3md0 n GLY 249 N 2.79 0.93 0.23 3.88 0.00 -1.26 -0.40 105.19 111.36 3md0 n GLY 249 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 3md0 n GLY 249 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3md0 h LEU 250 N 0.00 0.67 -0.36 0.99 3.38 -1.91 -0.75 115.31 117.32 3md0 h LEU 250 Ca 0.00 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 3md0 h LEU 250 Cb 0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3md0 h LEU 250 CO 0.00 1.02 -0.13 0.00 0.09 0.00 0.00 178.44 179.42 3md0 h ALA 251 N 1.01 0.50 -0.37 1.53 0.00 -1.92 -0.41 119.26 119.60 3md0 h ALA 251 Ca 0.03 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 3md0 h ALA 251 Cb 0.97 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3md0 h ALA 251 CO 0.09 0.39 -0.24 0.93 0.00 0.00 0.00 179.25 180.42 3md0 h GLU 252 N 0.52 0.75 -0.21 0.00 3.07 -1.97 0.16 114.58 116.89 3md0 h GLU 252 Ca 0.09 -0.31 0.02 0.00 -0.50 0.00 0.00 59.36 58.66 3md0 h GLU 252 Cb 0.65 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 3md0 h GLU 252 CO 0.04 0.92 0.06 1.25 -1.40 0.00 0.00 179.01 179.89 3md0 h LEU 253 N 0.65 0.06 -0.62 1.33 5.85 -0.88 -1.10 115.31 120.59 3md0 h LEU 253 Ca 0.09 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 3md0 h LEU 253 Cb 0.75 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 3md0 h LEU 253 CO 0.06 0.06 0.13 -0.25 -0.34 0.00 0.00 178.44 178.11 3md0 h TRP 254 N 0.16 1.06 -1.00 1.25 2.91 -0.68 -0.66 115.95 118.99 3md0 h TRP 254 Ca 0.09 -0.13 0.17 0.00 1.13 0.00 0.00 58.89 60.15 3md0 h TRP 254 Cb 0.07 -0.30 -0.10 0.00 -0.51 0.00 0.00 29.16 28.33 3md0 h TRP 254 CO -0.13 0.89 0.62 -0.44 -1.03 0.00 0.00 178.44 178.35 3md0 h ASP 255 N 0.92 0.80 0.06 2.65 3.32 -0.87 0.13 116.42 123.42 3md0 h ASP 255 Ca 0.19 0.08 -0.20 0.00 0.02 0.00 0.00 57.03 57.12 3md0 h ASP 255 Cb 0.38 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3md0 h ASP 255 CO 0.01 0.33 -0.74 0.74 -1.72 0.00 0.00 179.24 177.85 3md0 h THR 256 N 0.80 1.33 -0.17 0.35 2.02 -0.65 -0.93 112.91 115.66 3md0 h THR 256 Ca 0.55 -2.05 -0.00 0.00 0.77 0.00 0.00 66.41 65.68 3md0 h THR 256 Cb 0.81 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 3md0 h THR 256 CO -0.34 0.63 0.09 0.58 0.37 0.00 0.00 175.52 176.86 3md0 h VAL 257 N 0.41 1.10 -0.55 3.16 2.07 0.40 0.31 116.25 123.14 3md0 h VAL 257 Ca -0.04 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.24 3md0 h VAL 257 Cb 1.34 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 3md0 h VAL 257 CO 0.14 0.09 0.34 -0.33 0.02 0.00 0.00 177.57 177.83 3md0 h GLU 258 N 0.17 0.66 -0.97 1.57 5.08 -0.74 -2.30 114.58 118.04 3md0 h GLU 258 Ca 0.06 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 3md0 h GLU 258 Cb 0.07 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.10 3md0 h GLU 258 CO -0.01 0.44 0.62 -0.09 -1.00 0.00 0.00 179.01 178.97 3md0 h ARG 259 N 0.68 1.04 -0.43 2.33 9.65 -0.81 -0.82 114.38 126.02 3md0 h ARG 259 Ca 0.22 -0.06 0.05 0.00 -1.10 0.00 0.00 59.98 59.09 3md0 h ARG 259 Cb 0.01 -0.24 -0.05 0.00 -1.39 0.00 0.00 29.97 28.30 3md0 h ARG 259 CO -0.09 0.69 0.15 1.25 2.80 0.00 0.00 179.97 184.77 3md0 h HIS 260 N 1.07 0.27 -0.23 2.20 2.76 -0.38 0.11 115.15 120.96 3md0 h HIS 260 Ca 0.43 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.49 3md0 h HIS 260 Cb 0.26 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 3md0 h HIS 260 CO -0.00 0.10 -0.43 -0.09 -1.30 0.00 0.00 177.93 176.21 3md0 h ARG 261 N 0.32 0.56 -0.26 5.26 2.43 -1.10 -1.26 114.38 120.33 3md0 h ARG 261 Ca 0.20 -0.29 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 3md0 h ARG 261 Cb 0.19 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3md0 h ARG 261 CO -0.21 0.88 -0.09 1.96 -1.51 0.00 0.00 179.97 181.00 3md0 h GLN 262 N 0.45 0.52 -0.37 0.20 4.20 -0.76 -0.82 115.11 118.53 3md0 h GLN 262 Ca 0.03 -0.21 0.06 0.00 0.06 0.00 0.00 58.65 58.59 3md0 h GLN 262 Cb 0.94 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.64 3md0 h GLN 262 CO 0.08 0.75 0.07 0.28 -0.67 0.00 0.00 178.83 179.35 3md0 h VAL 263 N 0.26 0.81 -0.42 -0.54 2.07 -0.92 -0.01 116.25 117.49 3md0 h VAL 263 Ca 0.06 -0.07 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 3md0 h VAL 263 Cb 0.58 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3md0 h VAL 263 CO 0.03 0.03 -0.31 -0.07 0.02 0.00 0.00 177.57 177.28 3md0 h LEU 264 N 0.19 0.99 -0.22 2.57 4.07 -1.20 -2.94 115.31 118.78 3md0 h LEU 264 Ca 0.18 -0.44 0.00 0.00 0.08 0.00 0.00 57.88 57.70 3md0 h LEU 264 Cb 0.21 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 3md0 h LEU 264 CO -0.24 1.22 0.14 0.74 -1.08 0.00 0.00 178.44 179.22 3md0 h THR 265 N 0.77 1.06 -0.33 0.22 2.02 -0.96 0.69 112.91 116.37 3md0 h THR 265 Ca 0.08 -0.12 0.10 0.00 0.77 0.00 0.00 66.41 67.24 3md0 h THR 265 Cb 0.89 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3md0 h THR 265 CO 0.08 0.06 0.36 1.23 0.37 0.00 0.00 175.52 177.62 3md0 h GLY 266 N 0.29 0.00 -1.96 2.16 0.00 -0.92 -0.93 103.07 101.71 3md0 h GLY 266 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3md0 h GLY 266 CO -0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.52 3md0 n ALA 267 N -2.34 2.39 -1.03 3.60 0.00 -0.88 -4.96 120.51 117.29 3md0 n ALA 267 Ca 0.05 -0.97 -0.01 0.00 0.00 0.00 0.00 53.44 52.52 3md0 n ALA 267 Cb 0.52 -0.73 -0.00 0.00 0.00 0.00 0.00 19.45 19.24 3md0 n ALA 267 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3md0 n GLY 268 N 1.23 0.45 0.06 0.00 0.00 -0.35 -4.90 105.19 101.67 3md0 n GLY 268 Ca 0.16 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.15 3md0 n GLY 268 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3md0 n GLU 269 N -2.09 0.28 -0.03 1.61 -0.58 0.17 -3.55 120.64 116.45 3md0 n GLU 269 Ca -0.01 0.08 -0.13 0.00 -0.42 0.00 0.00 57.16 56.67 3md0 n GLU 269 Cb 0.15 -1.67 -0.11 0.00 -0.57 0.00 0.00 31.44 29.24 3md0 n GLU 269 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 3md0 h PHE 270 N 0.00 0.06 -0.32 -0.32 3.57 -1.85 -0.39 116.94 117.70 3md0 h PHE 270 Ca 0.00 -0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.32 3md0 h PHE 270 Cb 0.73 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 3md0 h PHE 270 CO 0.00 0.67 -0.43 -0.44 -2.23 0.00 0.00 178.31 175.88 3md0 h ASP 271 N -0.57 0.86 -0.39 0.41 3.32 -1.90 -2.89 116.42 115.26 3md0 h ASP 271 Ca -0.00 -0.41 0.08 0.00 0.02 0.00 0.00 57.03 56.72 3md0 h ASP 271 Cb 0.68 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3md0 h ASP 271 CO 0.01 1.17 0.27 0.00 -1.72 0.00 0.00 179.24 178.97 3md0 h ALA 272 N 0.86 2.12 0.02 3.45 0.00 -1.60 -0.21 119.26 123.91 3md0 h ALA 272 Ca 0.04 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3md0 h ALA 272 Cb 1.00 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.77 3md0 h ALA 272 CO 0.10 -0.21 -0.43 0.07 0.00 0.00 0.00 179.25 178.77 3md0 h ARG 273 N 0.19 0.26 -0.44 0.00 -0.00 -0.88 -2.75 114.38 110.76 3md0 h ARG 273 Ca 0.18 -0.31 0.06 0.00 -0.00 0.00 0.00 59.98 59.91 3md0 h ARG 273 Cb 0.47 0.09 -0.05 0.00 -0.00 0.00 0.00 29.97 30.48 3md0 h ARG 273 CO -0.03 1.03 0.12 0.00 -0.00 0.00 0.00 179.97 181.10 3md0 h ARG 274 N -0.37 0.26 -0.75 0.08 3.08 -1.26 -1.31 114.38 114.11 3md0 h ARG 274 Ca -0.06 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 3md0 h ARG 274 Cb 1.20 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 3md0 h ARG 274 CO 0.08 0.17 0.34 0.00 -1.07 0.00 0.00 179.97 179.50 3md0 h ARG 275 N 0.27 1.08 0.00 0.04 3.08 -1.14 -1.94 114.38 115.77 3md0 h ARG 275 Ca 0.21 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 3md0 h ARG 275 Cb 0.23 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3md0 h ARG 275 CO -0.24 0.85 -0.33 -0.44 -1.07 0.00 0.00 179.97 178.74 3md0 h ASP 276 N 1.07 0.00 -0.07 7.04 3.45 -1.15 -2.26 116.42 124.49 3md0 h ASP 276 Ca 0.26 0.00 -0.23 0.00 0.43 0.00 0.00 57.03 57.48 3md0 h ASP 276 Cb 0.14 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.92 3md0 h ASP 276 CO -0.03 0.33 -0.85 1.56 -1.57 0.00 0.00 179.24 178.68 3md0 h GLN 277 N 0.00 0.74 -0.29 3.56 4.20 -0.81 -2.15 115.11 120.36 3md0 h GLN 277 Ca -0.00 -0.66 -0.13 0.00 0.06 0.00 0.00 58.65 57.92 3md0 h GLN 277 Cb 0.68 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 3md0 h GLN 277 CO 0.04 1.26 -0.36 1.96 -0.67 0.00 0.00 178.83 181.06 3md0 h GLN 278 N 0.48 0.67 -0.45 1.46 1.08 -1.18 -0.19 115.11 116.98 3md0 h GLN 278 Ca -0.07 -0.32 -0.12 0.00 -1.45 0.00 0.00 58.65 56.68 3md0 h GLN 278 Cb 1.48 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.90 3md0 h GLN 278 CO 0.17 0.92 -0.19 0.28 -0.95 0.00 0.00 178.83 179.06 3md0 h VAL 279 N 0.56 1.27 -0.22 -0.54 2.07 -1.48 -1.80 116.25 116.11 3md0 h VAL 279 Ca 0.05 -1.34 -0.11 0.00 0.82 0.00 0.00 66.70 66.12 3md0 h VAL 279 Cb 0.88 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3md0 h VAL 279 CO 0.08 0.46 -0.35 0.44 0.02 0.00 0.00 177.57 178.21 3md0 h ASP 280 N 0.76 0.49 -0.51 0.57 3.32 -1.22 -2.70 116.42 117.13 3md0 h ASP 280 Ca 0.10 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 3md0 h ASP 280 Cb 0.76 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 3md0 h ASP 280 CO 0.06 0.81 0.02 -0.25 -1.72 0.00 0.00 179.24 178.16 3md0 h TRP 281 N 0.40 0.97 -0.14 4.55 -0.00 -1.01 -1.78 115.95 118.95 3md0 h TRP 281 Ca 0.04 -0.16 0.04 0.00 -0.00 0.00 0.00 58.89 58.82 3md0 h TRP 281 Cb 0.80 -0.25 -0.05 0.00 -0.00 0.00 0.00 29.16 29.66 3md0 h TRP 281 CO 0.03 0.90 -0.17 1.15 -0.00 0.00 0.00 178.44 180.34 3md0 h THR 282 N 0.76 0.56 0.00 2.65 2.02 -1.09 -0.31 112.91 117.49 3md0 h THR 282 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 3md0 h THR 282 Cb 0.50 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 3md0 h THR 282 CO 0.02 0.00 -0.12 -0.50 0.37 0.00 0.00 175.52 175.29 3md0 h TRP 283 N -0.21 0.00 -0.04 3.16 4.06 -1.42 -2.25 115.95 119.26 3md0 h TRP 283 Ca 0.10 0.00 -0.22 0.00 2.06 0.00 0.00 58.89 60.83 3md0 h TRP 283 Cb 0.35 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.53 3md0 h TRP 283 CO -0.28 0.12 -0.85 0.37 -3.56 0.00 0.00 178.44 174.23 3md0 h GLN 284 N 0.00 0.64 -0.75 0.49 5.75 -0.70 -1.22 115.11 119.33 3md0 h GLN 284 Ca -0.00 -0.64 -0.04 0.00 -0.15 0.00 0.00 58.65 57.82 3md0 h GLN 284 Cb 0.40 0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.09 3md0 h GLN 284 CO 0.02 1.24 0.32 -0.07 -2.65 0.00 0.00 178.83 177.69 3md0 h LEU 285 N 0.28 1.00 -0.41 -2.39 3.38 -0.63 0.24 115.31 116.78 3md0 h LEU 285 Ca -0.10 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 3md0 h LEU 285 Cb 1.51 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 3md0 h LEU 285 CO 0.17 0.87 0.15 0.58 0.09 0.00 0.00 178.44 180.30 3md0 h VAL 286 N 1.08 1.21 -0.05 1.22 2.07 -1.40 -0.98 116.25 119.40 3md0 h VAL 286 Ca 0.25 -0.66 0.01 0.00 0.82 0.00 0.00 66.70 67.12 3md0 h VAL 286 Cb 0.17 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3md0 h VAL 286 CO -0.03 0.24 0.01 -0.09 0.02 0.00 0.00 177.57 177.72 3md0 h ARG 287 N 0.52 0.03 -0.56 1.57 2.43 -0.88 -2.59 114.38 114.90 3md0 h ARG 287 Ca 0.13 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 3md0 h ARG 287 Cb 0.22 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3md0 h ARG 287 CO -0.01 0.02 0.09 -0.44 -1.51 0.00 0.00 179.97 178.12 3md0 h ASP 288 N 0.03 0.85 -0.28 -3.80 3.45 -0.46 -1.76 116.42 114.45 3md0 h ASP 288 Ca 0.02 -0.18 -0.10 0.00 0.43 0.00 0.00 57.03 57.20 3md0 h ASP 288 Cb 0.02 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.55 3md0 h ASP 288 CO -0.03 0.86 -0.18 0.00 -1.57 0.00 0.00 179.24 178.31 3md0 h ALA 289 N 1.24 0.95 0.00 3.45 0.00 -1.06 -1.90 119.26 121.93 3md0 h ALA 289 Ca 0.18 -0.35 -0.22 0.00 0.00 0.00 0.00 54.91 54.52 3md0 h ALA 289 Cb 0.38 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3md0 h ALA 289 CO 0.01 0.61 -1.26 0.28 0.00 0.00 0.00 179.25 178.88 3md0 h VAL 290 N 0.65 1.10 0.06 0.00 2.07 -1.32 -3.29 116.25 115.53 3md0 h VAL 290 Ca 0.10 -2.79 -0.29 0.00 0.82 0.00 0.00 66.70 64.54 3md0 h VAL 290 Cb 0.67 2.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.92 3md0 h VAL 290 CO 0.05 0.63 -1.54 -0.07 0.02 0.00 0.00 177.57 176.65 3md0 h LEU 291 N 0.00 0.21 -2.04 2.57 3.38 -1.33 -3.33 115.31 114.77 3md0 h LEU 291 Ca -0.13 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.55 3md0 h LEU 291 Cb 1.78 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 3md0 h LEU 291 CO 0.09 1.28 0.11 0.44 0.09 0.00 0.00 178.44 180.44 3md0 h ASP 292 N 0.04 0.00 -0.99 -0.43 5.19 -1.45 0.07 116.42 118.85 3md0 h ASP 292 Ca -0.23 0.00 0.11 0.00 -0.62 0.00 0.00 57.03 56.28 3md0 h ASP 292 Cb 1.98 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 41.41 3md0 h ASP 292 CO 0.12 0.00 0.63 0.03 -3.12 0.00 0.00 179.24 176.90 3md0 h ARG 293 N 0.00 0.98 0.00 3.56 3.08 -1.67 -0.65 114.38 119.69 3md0 h ARG 293 Ca 0.07 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3md0 h ARG 293 Cb 0.28 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3md0 h ARG 293 CO -0.00 0.65 -0.02 0.28 -1.07 0.00 0.00 179.97 179.81 3md0 h VAL 294 N 1.01 0.00 -0.91 2.04 2.07 -1.31 -3.25 116.25 115.90 3md0 h VAL 294 Ca 0.47 -0.90 0.15 0.00 0.82 0.00 0.00 66.70 67.25 3md0 h VAL 294 Cb 0.42 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.11 3md0 h VAL 294 CO -0.23 0.00 0.58 -0.50 0.02 0.00 0.00 177.57 177.44 3md0 h TRP 295 N -0.90 0.83 0.00 1.57 4.06 -1.10 -2.10 115.95 118.31 3md0 h TRP 295 Ca 0.00 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.97 3md0 h TRP 295 Cb 0.02 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 27.92 3md0 h TRP 295 CO -0.01 0.28 -0.48 0.45 -3.56 0.00 0.00 178.44 175.13 3md0 n SER 296 N -4.58 0.66 -4.64 -3.49 2.88 -0.25 -4.74 113.62 99.45 3md0 n SER 296 Ca 0.18 0.17 -0.42 0.00 -1.33 0.00 0.00 58.87 57.47 3md0 n SER 296 Cb 0.50 -0.02 -0.03 0.00 -0.75 0.00 0.00 64.21 63.91 3md0 n SER 296 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 3md0 s ASN 297 N -4.06 6.11 0.21 -3.46 3.84 -0.79 -4.93 114.94 111.87 3md0 s ASN 297 Ca 0.08 2.39 -0.09 0.00 0.21 0.00 0.00 52.86 55.45 3md0 s ASN 297 Cb 0.14 -2.52 0.31 0.00 -0.55 0.00 0.00 41.25 38.62 3md0 s ASN 297 CO 0.69 -1.36 1.71 -0.65 -2.79 0.00 0.00 177.10 174.70 3md0 h PRO 298 N 12.10 0.29 -0.33 0.43 0.11 -1.88 -0.87 132.00 141.84 3md0 h PRO 298 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3md0 h PRO 298 Cb 1.24 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 3md0 h PRO 298 CO 0.95 0.19 0.15 1.15 -0.21 0.00 0.00 178.00 180.23 3md0 h THR 299 N 0.30 1.17 -0.92 -1.15 2.02 -1.96 -1.24 112.91 111.13 3md0 h THR 299 Ca 0.32 -0.49 0.12 0.00 0.77 0.00 0.00 66.41 67.13 3md0 h THR 299 Cb 0.47 0.88 -0.08 0.00 -1.74 0.00 0.00 68.15 67.67 3md0 h THR 299 CO -0.39 0.18 0.55 0.58 0.37 0.00 0.00 175.52 176.81 3md0 h VAL 300 N 0.40 0.87 0.00 3.16 2.07 -1.71 -2.37 116.25 118.66 3md0 h VAL 300 Ca 0.11 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 3md0 h VAL 300 Cb 0.14 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 3md0 h VAL 300 CO -0.01 0.16 -0.19 0.03 0.02 0.00 0.00 177.57 177.58 3md0 h ARG 301 N 0.85 0.00 0.12 1.57 3.08 -0.38 -2.22 114.38 117.41 3md0 h ARG 301 Ca 0.47 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.23 3md0 h ARG 301 Cb 0.50 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.57 3md0 h ARG 301 CO -0.28 0.19 -1.23 1.57 -1.07 0.00 0.00 179.97 179.14 3md0 h LYS 302 N 0.00 0.53 0.00 0.04 2.10 -0.76 -3.34 116.57 115.14 3md0 h LYS 302 Ca -0.00 -0.73 0.00 0.00 -2.00 0.00 0.00 60.65 57.91 3md0 h LYS 302 Cb 0.83 0.25 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 3md0 h LYS 302 CO 0.02 1.32 -0.38 1.55 -2.00 0.00 0.00 179.45 179.97 3md0 n VAL 303 N -3.73 0.05 -0.01 0.07 3.14 -0.98 -4.37 118.33 112.50 3md0 n VAL 303 Ca -0.12 -0.03 -0.10 0.00 -2.96 0.00 0.00 64.34 61.12 3md0 n VAL 303 Cb 0.99 0.01 -0.05 0.00 -1.06 0.00 0.00 33.84 33.73 3md0 n VAL 303 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3md0 h ARG 304 N 0.00 0.12 -0.55 1.45 2.43 -1.53 -2.27 114.38 114.03 3md0 h ARG 304 Ca 0.00 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3md0 h ARG 304 Cb 0.53 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.00 3md0 h ARG 304 CO 0.00 0.08 0.26 0.77 -1.51 0.00 0.00 179.97 179.56 3md0 h SER 305 N 0.12 0.34 -0.25 -3.80 0.02 -1.83 -0.59 113.55 107.56 3md0 h SER 305 Ca 0.05 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.96 3md0 h SER 305 Cb 0.02 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3md0 h SER 305 CO -0.04 0.23 -0.17 -0.08 -1.14 0.00 0.00 176.83 175.63 3md0 h GLU 306 N 0.49 0.56 -0.79 3.45 4.57 -1.79 0.26 114.58 121.33 3md0 h GLU 306 Ca 0.25 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 3md0 h GLU 306 Cb 0.21 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 3md0 h GLU 306 CO -0.20 0.84 0.42 -0.07 -1.18 0.00 0.00 179.01 178.82 3md0 h LEU 307 N 0.28 0.98 -0.01 1.64 3.38 -1.27 -1.36 115.31 118.95 3md0 h LEU 307 Ca 0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3md0 h LEU 307 Cb 0.70 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3md0 h LEU 307 CO 0.05 0.80 0.00 -0.33 0.09 0.00 0.00 178.44 179.04 3md0 h GLU 308 N 1.10 0.02 -0.71 1.13 5.08 -0.82 -1.45 114.58 118.93 3md0 h GLU 308 Ca 0.28 -0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.77 3md0 h GLU 308 Cb 0.04 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.19 3md0 h GLU 308 CO -0.04 0.28 0.21 -0.09 -1.00 0.00 0.00 179.01 178.36 3md0 h ARG 309 N -0.24 0.32 -0.80 2.33 2.43 -0.35 0.65 114.38 118.72 3md0 h ARG 309 Ca 0.00 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3md0 h ARG 309 Cb 0.27 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 3md0 h ARG 309 CO 0.00 0.21 0.38 0.00 -1.51 0.00 0.00 179.97 179.05 3md0 h ARG 310 N 0.33 1.15 0.04 0.20 3.08 -1.09 -1.82 114.38 116.27 3md0 h ARG 310 Ca 0.39 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.27 3md0 h ARG 310 Cb 0.62 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3md0 h ARG 310 CO -0.44 0.89 -0.02 0.28 -1.07 0.00 0.00 179.97 179.60 3md0 h VAL 311 N 1.14 1.10 -0.03 2.04 2.07 -0.03 -0.11 116.25 122.43 3md0 h VAL 311 Ca 0.27 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.33 3md0 h VAL 311 Cb 0.12 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3md0 h VAL 311 CO -0.03 0.12 0.03 0.03 0.02 0.00 0.00 177.57 177.74 3md0 h ARG 312 N -0.27 0.00 -0.02 1.57 3.08 -0.80 -1.14 114.38 116.81 3md0 h ARG 312 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3md0 h ARG 312 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3md0 h ARG 312 CO 0.01 0.00 -0.25 0.00 -1.07 0.00 0.00 179.97 178.66 3md0 n ALA 313 N -2.28 3.05 -1.29 0.04 0.00 -0.70 -4.96 120.51 114.37 3md0 n ALA 313 Ca -0.02 -0.62 -0.10 0.00 0.00 0.00 0.00 53.44 52.69 3md0 n ALA 313 Cb 0.12 -0.86 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 3md0 n ALA 313 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3md0 n GLY 314 N 1.37 1.14 0.03 0.00 0.00 -0.43 -4.86 105.19 102.43 3md0 n GLY 314 Ca 0.12 -0.48 0.13 0.00 0.00 0.00 0.00 46.02 45.80 3md0 n GLY 314 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3md0 n GLU 315 N -2.52 0.08 -3.71 1.61 1.02 -0.09 -4.83 120.64 112.21 3md0 n GLU 315 Ca -0.10 0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 57.01 3md0 n GLU 315 Cb 0.35 -1.60 -0.10 0.00 -0.02 0.00 0.00 31.44 30.07 3md0 n GLU 315 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3md0 s LEU 316 N -3.48 0.08 0.69 -4.62 2.96 -1.07 -4.98 118.68 108.26 3md0 s LEU 316 Ca 0.12 0.91 -0.13 0.00 -0.22 0.00 0.00 54.13 54.81 3md0 s LEU 316 Cb 0.16 1.45 0.01 0.00 0.50 0.00 0.00 46.19 48.31 3md0 s LEU 316 CO 0.53 -0.18 1.09 0.42 -1.32 0.00 0.00 176.35 176.89 3md0 s THR 317 N 0.87 3.44 0.31 3.68 -4.23 -1.26 -4.32 115.64 114.14 3md0 s THR 317 Ca -0.05 0.59 0.14 0.00 -1.18 0.00 0.00 61.69 61.18 3md0 s THR 317 Cb -0.06 -3.12 0.07 0.00 1.34 0.00 0.00 72.50 70.73 3md0 s THR 317 CO -0.07 -0.50 1.76 -0.65 -0.54 0.00 0.00 174.62 174.62 3md0 h PRO 318 N -0.35 0.00 -0.51 3.99 0.11 -1.99 -1.97 132.00 131.28 3md0 h PRO 318 Ca -0.45 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 3md0 h PRO 318 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3md0 h PRO 318 CO 0.54 0.44 -0.15 0.00 -0.21 0.00 0.00 178.00 178.62 3md0 h ALA 319 N 1.56 0.70 -0.38 -0.75 0.00 -1.99 -1.04 119.26 117.37 3md0 h ALA 319 Ca -0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 3md0 h ALA 319 Cb 0.81 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3md0 h ALA 319 CO 0.06 0.64 -0.36 -0.07 0.00 0.00 0.00 179.25 179.52 3md0 h LEU 320 N 0.86 0.94 -0.60 0.00 3.38 -1.92 -1.89 115.31 116.08 3md0 h LEU 320 Ca 0.13 -0.41 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 3md0 h LEU 320 Cb 0.72 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3md0 h LEU 320 CO 0.05 1.19 -0.13 0.00 0.09 0.00 0.00 178.44 179.65 3md0 h ALA 321 N 0.85 0.80 -0.27 1.53 0.00 -1.31 -1.99 119.26 118.87 3md0 h ALA 321 Ca 0.07 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.65 3md0 h ALA 321 Cb 0.94 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3md0 h ALA 321 CO 0.09 0.66 0.11 0.00 0.00 0.00 0.00 179.25 180.11 3md0 h ALA 322 N 0.97 0.31 -0.27 0.00 0.00 -1.11 -0.26 119.26 118.91 3md0 h ALA 322 Ca 0.13 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3md0 h ALA 322 Cb 0.69 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3md0 h ALA 322 CO 0.05 -0.30 -0.02 0.37 0.00 0.00 0.00 179.25 179.35 3md0 h GLN 323 N 0.24 0.05 -0.92 0.00 4.15 -1.32 -1.45 115.11 115.85 3md0 h GLN 323 Ca 0.12 -0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.57 3md0 h GLN 323 Cb 0.07 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.69 3md0 h GLN 323 CO -0.10 0.04 0.60 0.37 -1.93 0.00 0.00 178.83 177.80 3md0 h GLN 324 N 0.06 1.12 -0.54 1.69 4.15 -0.99 0.58 115.11 121.18 3md0 h GLN 324 Ca 0.13 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 3md0 h GLN 324 Cb 0.18 -0.25 -0.03 0.00 0.21 0.00 0.00 27.48 27.59 3md0 h GLN 324 CO -0.23 0.74 0.31 0.82 -1.93 0.00 0.00 178.83 178.54 3md0 h ILE 325 N 1.16 1.18 -0.12 2.39 2.04 -0.63 -1.95 117.51 121.58 3md0 h ILE 325 Ca 0.37 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 3md0 h ILE 325 Cb 0.02 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3md0 h ILE 325 CO -0.12 0.19 0.01 -0.07 0.00 0.00 0.00 178.15 178.15 3md0 h LEU 326 N 0.73 0.20 -0.54 1.44 3.38 -0.62 -0.91 115.31 118.98 3md0 h LEU 326 Ca 0.19 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.94 3md0 h LEU 326 Cb 0.03 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 3md0 h LEU 326 CO -0.03 0.44 0.23 -0.33 0.09 0.00 0.00 178.44 178.83 3md0 h GLU 327 N -0.05 0.42 -0.03 1.13 5.08 -0.90 -0.04 114.58 120.19 3md0 h GLU 327 Ca 0.03 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3md0 h GLU 327 Cb 0.33 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3md0 h GLU 327 CO 0.00 0.28 0.00 0.82 -1.00 0.00 0.00 179.01 179.11 3md0 h ILE 328 N 0.43 1.22 -0.79 3.13 2.04 -1.28 -0.87 117.51 121.40 3md0 h ILE 328 Ca 0.26 -0.67 0.15 0.00 1.00 0.00 0.00 64.86 65.60 3md0 h ILE 328 Cb 0.25 1.63 -0.10 0.00 -0.74 0.00 0.00 36.82 37.86 3md0 h ILE 328 CO -0.23 0.18 0.34 0.00 0.00 0.00 0.00 178.15 178.43 3md0 h ALA 329 N 0.73 1.14 0.00 1.87 0.00 -1.03 -1.83 119.26 120.14 3md0 h ALA 329 Ca 0.01 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3md0 h ALA 329 Cb 0.29 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3md0 h ALA 329 CO 0.00 -0.20 -0.20 -0.97 0.00 0.00 0.00 179.25 177.88 3md0 h ASN 330 N 0.48 0.00 1.26 0.00 -1.24 -0.70 -2.57 115.58 112.81 3md0 h ASN 330 Ca 0.44 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 57.29 3md0 h ASN 330 Cb 0.67 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.70 3md0 h ASN 330 CO -0.41 0.20 -0.74 -0.07 -1.29 0.00 0.00 177.43 175.13 3md0 h LEU 331 N 0.00 0.00 -2.92 0.34 3.38 -0.32 -3.35 115.31 112.43 3md0 h LEU 331 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3md0 h LEU 331 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3md0 h LEU 331 CO 0.03 0.74 0.00 0.35 0.09 0.00 0.00 178.44 179.64 3md0 n THR 332 N -3.28 1.08 0.92 0.22 -2.24 -0.99 -5.11 114.28 104.89 3md0 n THR 332 Ca 0.01 -1.06 0.11 0.00 -2.27 0.00 0.00 64.05 60.84 3md0 n THR 332 Cb 0.83 0.45 0.09 0.00 -2.10 0.00 0.00 70.33 69.60 3md0 n THR 332 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97