#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dm5 n VAL 2 N 0.00 -9.25 0.00 2.03 3.14 -1.14 -3.98 118.33 109.13 3dm5 n VAL 2 Ca 0.00 1.22 0.00 0.00 -2.96 0.00 0.00 64.34 62.60 3dm5 n VAL 2 Cb 0.00 -6.21 0.00 0.00 -1.06 0.00 0.00 33.84 26.57 3dm5 n VAL 2 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3dm5 n LEU 3 N 0.34 0.00 0.00 6.55 4.32 -1.14 -4.83 117.00 122.24 3dm5 n LEU 3 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.01 3dm5 n LEU 3 Cb 0.07 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 3dm5 n LEU 3 CO 0.33 0.00 0.00 -0.90 -1.22 0.00 0.00 177.39 175.60 3dm5 n ASP 4 N 0.38 0.00 -0.36 -1.43 5.68 -1.26 0.41 116.55 119.97 3dm5 n ASP 4 Ca 0.00 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.34 3dm5 n ASP 4 Cb 0.00 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.19 3dm5 n ASP 4 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3dm5 h ASN 5 N 0.00 0.97 -0.64 -1.12 2.35 -1.93 -2.49 115.58 112.72 3dm5 h ASN 5 Ca 0.00 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 3dm5 h ASN 5 Cb 0.00 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 3dm5 h ASN 5 CO 0.00 0.57 0.25 0.25 -1.65 0.00 0.00 177.43 176.84 3dm5 h LEU 6 N 1.07 0.90 0.23 1.61 5.85 -0.41 -1.25 115.31 123.30 3dm5 h LEU 6 Ca 0.47 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 59.01 3dm5 h LEU 6 Cb 0.34 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3dm5 h LEU 6 CO -0.22 0.83 -0.49 1.23 -0.34 0.00 0.00 178.44 179.45 3dm5 h GLY 7 N 0.91 -1.08 0.41 3.75 0.00 -1.57 0.50 103.07 105.98 3dm5 h GLY 7 Ca 0.21 0.58 0.09 0.00 0.00 0.00 0.00 47.33 48.22 3dm5 h GLY 7 CO -0.02 -0.30 0.27 0.50 0.00 0.00 0.00 176.54 177.00 3dm5 h LYS 8 N -0.79 0.46 -0.54 4.80 1.57 -1.25 -0.64 116.57 120.18 3dm5 h LYS 8 Ca -0.01 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 3dm5 h LYS 8 Cb 0.77 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 3dm5 h LYS 8 CO -0.21 0.30 0.04 0.00 -0.57 0.00 0.00 179.45 179.02 3dm5 h ALA 9 N 1.42 0.72 -0.01 3.86 0.00 -0.94 -2.07 119.26 122.25 3dm5 h ALA 9 Ca 0.32 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dm5 h ALA 9 Cb 0.38 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3dm5 h ALA 9 CO -0.29 0.50 -0.00 -0.07 0.00 0.00 0.00 179.25 179.38 3dm5 h LEU 10 N 0.80 0.01 -1.56 0.00 3.38 -0.40 -2.96 115.31 114.59 3dm5 h LEU 10 Ca 0.16 -0.32 0.20 0.00 0.09 0.00 0.00 57.88 58.00 3dm5 h LEU 10 Cb 0.47 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 3dm5 h LEU 10 CO 0.02 0.33 0.58 0.00 0.09 0.00 0.00 178.44 179.47 3dm5 h ALA 11 N 0.68 2.24 -0.03 1.53 0.00 -1.10 -1.92 119.26 120.66 3dm5 h ALA 11 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3dm5 h ALA 11 Cb 0.33 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3dm5 h ALA 11 CO 0.00 -0.51 -0.57 -0.91 0.00 0.00 0.00 179.25 177.26 3dm5 h ASN 12 N 0.38 0.10 0.28 0.00 2.35 -1.21 -0.21 115.58 117.27 3dm5 h ASN 12 Ca 0.45 -0.06 -0.11 0.00 -0.55 0.00 0.00 56.30 56.04 3dm5 h ASN 12 Cb 1.16 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.49 3dm5 h ASN 12 CO -0.16 0.65 -0.43 0.71 -1.65 0.00 0.00 177.43 176.55 3dm5 h THR 13 N 0.07 1.32 0.02 2.81 1.35 -1.26 -0.04 112.91 117.18 3dm5 h THR 13 Ca -0.00 -1.56 -0.26 0.00 -0.55 0.00 0.00 66.41 64.03 3dm5 h THR 13 Cb 1.03 1.73 0.02 0.00 -1.73 0.00 0.00 68.15 69.20 3dm5 h THR 13 CO 0.08 0.46 -1.06 -0.07 -0.25 0.00 0.00 175.52 174.68 3dm5 h LEU 14 N 0.17 0.80 -0.65 3.87 3.38 -1.27 -2.66 115.31 118.95 3dm5 h LEU 14 Ca 0.01 -0.66 0.01 0.00 0.09 0.00 0.00 57.88 57.33 3dm5 h LEU 14 Cb 0.83 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3dm5 h LEU 14 CO 0.07 1.47 0.43 0.11 0.09 0.00 0.00 178.44 180.60 3dm5 h LYS 15 N 0.33 0.86 -0.54 1.13 1.57 -0.90 -1.24 116.57 117.77 3dm5 h LYS 15 Ca -0.13 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.66 3dm5 h LYS 15 Cb 1.71 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 33.78 3dm5 h LYS 15 CO 0.20 0.57 0.24 0.87 -0.57 0.00 0.00 179.45 180.76 3dm5 h LYS 16 N 0.88 0.45 -0.49 3.15 1.57 -0.95 -0.67 116.57 120.52 3dm5 h LYS 16 Ca 0.24 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3dm5 h LYS 16 Cb -0.10 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 3dm5 h LYS 16 CO -0.05 0.30 0.30 0.82 -0.57 0.00 0.00 179.45 180.25 3dm5 h ILE 17 N 0.47 1.14 0.00 1.86 2.04 -1.10 0.19 117.51 122.11 3dm5 h ILE 17 Ca 0.25 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 3dm5 h ILE 17 Cb 0.22 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3dm5 h ILE 17 CO -0.21 0.14 -0.05 0.00 0.00 0.00 0.00 178.15 178.04 3dm5 h ALA 18 N 1.15 1.90 0.00 1.87 0.00 -0.18 -2.39 119.26 121.61 3dm5 h ALA 18 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3dm5 h ALA 18 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3dm5 h ALA 18 CO -0.03 0.06 -1.25 0.54 0.00 0.00 0.00 179.25 178.56 3dm5 n ARG 19 N -4.45 0.23 -1.59 0.00 1.74 -0.36 -4.98 116.66 107.25 3dm5 n ARG 19 Ca -0.03 -0.05 -0.44 0.00 -0.77 0.00 0.00 57.85 56.56 3dm5 n ARG 19 Cb 0.13 -1.52 -0.01 0.00 -1.02 0.00 0.00 32.46 30.04 3dm5 n ARG 19 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dm5 n ALA 20 N -1.76 -0.21 -0.24 7.54 0.00 0.59 -4.89 120.51 121.53 3dm5 n ALA 20 Ca 0.02 0.34 -0.07 0.00 0.00 0.00 0.00 53.44 53.72 3dm5 n ALA 20 Cb 0.41 -2.02 0.04 0.00 0.00 0.00 0.00 19.45 17.89 3dm5 n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dm5 h SER 21 N 1.82 0.99 -5.01 0.00 4.64 -1.90 -3.46 113.55 110.64 3dm5 h SER 21 Ca -0.41 -0.21 0.01 0.00 -0.47 0.00 0.00 61.79 60.71 3dm5 h SER 21 Cb 1.34 -0.26 -0.10 0.00 -0.31 0.00 0.00 62.40 63.07 3dm5 h SER 21 CO 0.59 0.94 0.20 -0.94 -0.87 0.00 0.00 176.83 176.75 3dm5 s SER 22 N -6.32 -0.46 -0.68 4.97 1.04 -1.26 -5.12 113.70 105.87 3dm5 s SER 22 Ca -0.12 -0.21 -0.15 0.00 0.48 0.00 0.00 55.95 55.95 3dm5 s SER 22 Cb 0.14 0.63 0.17 0.00 0.10 0.00 0.00 66.02 67.07 3dm5 s SER 22 CO 0.83 -1.08 0.63 -0.69 0.98 0.00 0.00 173.24 173.91 3dm5 s VAL 23 N -3.81 5.38 0.22 5.02 1.01 -1.26 -4.89 120.40 122.06 3dm5 s VAL 23 Ca 0.04 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 60.05 3dm5 s VAL 23 Cb -0.02 -4.38 0.02 0.00 0.00 0.00 0.00 36.38 31.99 3dm5 s VAL 23 CO -0.07 -0.95 0.19 -0.90 0.00 0.00 0.00 175.10 173.38 3dm5 n ASP 24 N 4.59 1.51 0.15 3.32 5.68 -1.26 -5.02 116.55 125.52 3dm5 n ASP 24 Ca 0.00 -1.72 -0.00 0.00 -0.50 0.00 0.00 54.79 52.57 3dm5 n ASP 24 Cb 0.43 -0.05 0.21 0.00 -1.14 0.00 0.00 41.12 40.58 3dm5 n ASP 24 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3dm5 h GLU 25 N 0.00 0.00 -0.23 0.11 4.81 -2.01 -2.98 114.58 114.29 3dm5 h GLU 25 Ca -0.13 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.02 3dm5 h GLU 25 Cb 0.50 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 3dm5 h GLU 25 CO 0.20 0.56 -0.18 0.00 -0.73 0.00 0.00 179.01 178.86 3dm5 h ALA 26 N 1.44 1.27 0.07 2.92 0.00 -1.98 -1.75 119.26 121.23 3dm5 h ALA 26 Ca -0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3dm5 h ALA 26 Cb 1.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3dm5 h ALA 26 CO 0.07 0.48 -0.03 1.25 0.00 0.00 0.00 179.25 181.02 3dm5 h LEU 27 N 0.36 -0.08 0.20 0.00 5.85 -1.87 -2.58 115.31 117.19 3dm5 h LEU 27 Ca 0.06 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.62 3dm5 h LEU 27 Cb 0.53 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3dm5 h LEU 27 CO 0.03 0.13 -0.41 0.40 -0.34 0.00 0.00 178.44 178.25 3dm5 h ILE 28 N -0.29 0.17 -0.82 4.05 1.08 -1.48 -1.13 117.51 119.09 3dm5 h ILE 28 Ca -0.01 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.64 3dm5 h ILE 28 Cb 0.25 0.17 -0.06 0.00 -3.07 0.00 0.00 36.82 34.12 3dm5 h ILE 28 CO 0.02 0.00 0.55 0.11 -0.69 0.00 0.00 178.15 178.13 3dm5 h LYS 29 N -0.70 0.37 -0.12 2.37 6.56 -1.29 0.31 116.57 124.06 3dm5 h LYS 29 Ca 0.00 -0.02 -0.22 0.00 -1.06 0.00 0.00 60.65 59.35 3dm5 h LYS 29 Cb 0.69 -0.08 0.01 0.00 -0.57 0.00 0.00 32.23 32.28 3dm5 h LYS 29 CO -0.19 0.24 -0.80 1.49 -2.06 0.00 0.00 179.45 178.13 3dm5 h GLU 30 N 0.38 0.69 0.23 3.15 4.81 -1.06 -2.36 114.58 120.41 3dm5 h GLU 30 Ca 0.41 -0.59 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 3dm5 h GLU 30 Cb 1.04 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 3dm5 h GLU 30 CO -0.13 1.20 -0.14 1.25 -0.73 0.00 0.00 179.01 180.45 3dm5 h LEU 31 N 0.46 -0.36 -0.85 1.64 5.85 0.73 0.20 115.31 122.99 3dm5 h LEU 31 Ca -0.06 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.75 3dm5 h LEU 31 Cb 1.42 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.50 3dm5 h LEU 31 CO 0.16 -0.23 0.52 0.58 -0.34 0.00 0.00 178.44 179.13 3dm5 h VAL 32 N -0.36 1.03 -0.13 1.05 2.07 -0.74 -0.45 116.25 118.72 3dm5 h VAL 32 Ca -0.02 -0.32 -0.17 0.00 0.82 0.00 0.00 66.70 67.01 3dm5 h VAL 32 Cb 0.30 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3dm5 h VAL 32 CO 0.02 0.17 -0.63 0.03 0.02 0.00 0.00 177.57 177.18 3dm5 h ARG 33 N 0.94 0.47 -0.95 1.57 3.08 -1.25 -0.39 114.38 117.86 3dm5 h ARG 33 Ca 0.37 -0.34 0.03 0.00 0.07 0.00 0.00 59.98 60.12 3dm5 h ARG 33 Cb 0.19 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 3dm5 h ARG 33 CO -0.18 0.95 0.63 -0.44 -1.07 0.00 0.00 179.97 179.86 3dm5 h ASP 34 N 0.35 1.05 -0.12 7.04 3.32 0.29 -1.85 116.42 126.49 3dm5 h ASP 34 Ca -0.01 -0.01 -0.20 0.00 0.02 0.00 0.00 57.03 56.83 3dm5 h ASP 34 Cb 1.18 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 40.50 3dm5 h ASP 34 CO 0.11 0.72 -0.69 0.40 -1.72 0.00 0.00 179.24 178.07 3dm5 h ILE 35 N 1.22 1.31 -0.44 0.35 2.04 -0.72 -2.23 117.51 119.04 3dm5 h ILE 35 Ca 0.37 -1.93 0.07 0.00 1.00 0.00 0.00 64.86 64.37 3dm5 h ILE 35 Cb -0.02 2.10 -0.06 0.00 -0.74 0.00 0.00 36.82 38.10 3dm5 h ILE 35 CO -0.11 0.60 0.09 1.56 0.00 0.00 0.00 178.15 180.29 3dm5 h GLN 36 N 0.36 0.21 -0.59 2.37 4.20 -0.96 0.03 115.11 120.74 3dm5 h GLN 36 Ca -0.05 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3dm5 h GLN 36 Cb 1.33 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 29.03 3dm5 h GLN 36 CO 0.14 0.14 0.33 0.00 -0.67 0.00 0.00 178.83 178.77 3dm5 h ARG 37 N 0.22 0.81 0.06 1.46 3.08 -1.27 0.51 114.38 119.24 3dm5 h ARG 37 Ca 0.21 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 3dm5 h ARG 37 Cb 0.27 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3dm5 h ARG 37 CO -0.28 0.61 -0.03 0.00 -1.07 0.00 0.00 179.97 179.21 3dm5 h ALA 38 N 1.15 -0.08 0.12 0.04 0.00 -1.04 -2.32 119.26 117.13 3dm5 h ALA 38 Ca 0.21 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3dm5 h ALA 38 Cb 0.03 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3dm5 h ALA 38 CO -0.03 -0.41 -0.23 -0.07 0.00 0.00 0.00 179.25 178.50 3dm5 h LEU 39 N -0.34 -0.65 -1.39 0.00 4.07 -0.85 -2.69 115.31 113.46 3dm5 h LEU 39 Ca -0.01 0.08 0.07 0.00 0.08 0.00 0.00 57.88 58.10 3dm5 h LEU 39 Cb 0.30 0.25 -0.04 0.00 1.08 0.00 0.00 40.66 42.24 3dm5 h LEU 39 CO 0.01 -0.32 0.47 0.40 -1.08 0.00 0.00 178.44 177.92 3dm5 h ILE 40 N -0.43 1.01 0.00 1.22 1.08 -0.91 -0.78 117.51 118.69 3dm5 h ILE 40 Ca 0.03 -0.25 -0.05 0.00 -0.39 0.00 0.00 64.86 64.20 3dm5 h ILE 40 Cb 0.45 0.22 -0.01 0.00 -3.07 0.00 0.00 36.82 34.41 3dm5 h ILE 40 CO -0.13 0.13 -0.22 -0.61 -0.69 0.00 0.00 178.15 176.63 3dm5 h GLN 41 N 0.73 0.00 -0.59 2.37 4.15 -1.14 -1.74 115.11 118.89 3dm5 h GLN 41 Ca 0.31 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.73 3dm5 h GLN 41 Cb 0.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.98 3dm5 h GLN 41 CO -0.10 0.22 0.00 0.00 -1.93 0.00 0.00 178.83 177.02 3dm5 n ALA 42 N -2.27 2.84 -1.82 3.38 0.00 -0.35 -4.84 120.51 117.46 3dm5 n ALA 42 Ca -0.01 -1.07 -0.08 0.00 0.00 0.00 0.00 53.44 52.29 3dm5 n ALA 42 Cb 0.38 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.80 3dm5 n ALA 42 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3dm5 n ASP 43 N 0.76 -3.26 -4.71 0.00 4.64 -0.65 -1.06 116.55 112.27 3dm5 n ASP 43 Ca 0.18 0.07 -0.42 0.00 -1.38 0.00 0.00 54.79 53.23 3dm5 n ASP 43 Cb 0.62 -2.17 -0.03 0.00 -1.04 0.00 0.00 41.12 38.50 3dm5 n ASP 43 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3dm5 s VAL 44 N -2.36 4.04 0.07 5.18 1.01 -0.91 -3.45 120.40 123.98 3dm5 s VAL 44 Ca 0.00 1.44 -0.36 0.00 0.00 0.00 0.00 61.98 63.06 3dm5 s VAL 44 Cb 0.00 -3.93 -0.19 0.00 0.00 0.00 0.00 36.38 32.26 3dm5 s VAL 44 CO 0.00 0.08 0.91 -3.20 0.00 0.00 0.00 175.10 172.89 3dm5 n ASN 45 N 4.29 -0.35 -0.12 3.32 5.15 -1.26 -4.52 115.26 121.77 3dm5 n ASN 45 Ca 0.10 1.15 -0.09 0.00 -0.60 0.00 0.00 54.58 55.14 3dm5 n ASN 45 Cb 0.46 -0.94 -0.01 0.00 -0.53 0.00 0.00 39.78 38.76 3dm5 n ASN 45 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 3dm5 h VAL 46 N 2.39 1.15 -0.85 3.44 2.07 -1.98 -1.64 116.25 120.82 3dm5 h VAL 46 Ca -0.44 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 66.78 3dm5 h VAL 46 Cb 1.43 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.87 3dm5 h VAL 46 CO 0.63 0.15 0.52 -0.09 0.02 0.00 0.00 177.57 178.80 3dm5 h ARG 47 N 0.46 0.89 -0.77 1.57 2.43 -2.00 -0.57 114.38 116.40 3dm5 h ARG 47 Ca 0.13 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3dm5 h ARG 47 Cb 0.06 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 3dm5 h ARG 47 CO -0.02 0.59 0.29 -0.07 -1.51 0.00 0.00 179.97 179.24 3dm5 h LEU 48 N 0.92 1.07 -0.46 3.80 3.38 -1.81 -2.35 115.31 119.85 3dm5 h LEU 48 Ca 0.39 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 3dm5 h LEU 48 Cb 0.24 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3dm5 h LEU 48 CO -0.20 0.96 -0.06 0.58 0.09 0.00 0.00 178.44 179.82 3dm5 h VAL 49 N 1.12 1.27 -0.32 1.22 2.07 -0.46 -2.12 116.25 119.03 3dm5 h VAL 49 Ca 0.25 -1.15 0.05 0.00 0.82 0.00 0.00 66.70 66.67 3dm5 h VAL 49 Cb 0.24 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 3dm5 h VAL 49 CO -0.02 0.40 0.04 -0.07 0.02 0.00 0.00 177.57 177.94 3dm5 h LEU 50 N 0.70 -0.05 -0.46 2.57 3.38 -1.00 0.01 115.31 120.46 3dm5 h LEU 50 Ca 0.12 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 3dm5 h LEU 50 Cb 0.58 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3dm5 h LEU 50 CO 0.04 0.01 0.14 -0.61 0.09 0.00 0.00 178.44 178.11 3dm5 h GLN 51 N 0.14 0.71 -0.31 1.13 4.15 -1.29 -0.46 115.11 119.18 3dm5 h GLN 51 Ca 0.15 -0.15 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 3dm5 h GLN 51 Cb 0.18 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 3dm5 h GLN 51 CO -0.22 0.68 0.03 1.25 -1.93 0.00 0.00 178.83 178.64 3dm5 h LEU 52 N 0.60 0.51 -0.16 -2.39 5.85 -1.21 -2.60 115.31 115.91 3dm5 h LEU 52 Ca 0.15 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3dm5 h LEU 52 Cb 0.27 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3dm5 h LEU 52 CO -0.00 0.66 0.00 0.71 -0.34 0.00 0.00 178.44 179.47 3dm5 h THR 53 N 0.34 0.00 0.05 1.05 1.35 -0.77 -1.54 112.91 113.39 3dm5 h THR 53 Ca 0.09 -0.49 -0.23 0.00 -0.55 0.00 0.00 66.41 65.23 3dm5 h THR 53 Cb 0.38 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 3dm5 h THR 53 CO 0.01 0.00 -1.05 0.03 -0.25 0.00 0.00 175.52 174.26 3dm5 h ARG 54 N 0.00 0.18 -0.24 4.72 3.08 -1.03 -1.36 114.38 119.74 3dm5 h ARG 54 Ca 0.00 -0.26 -0.15 0.00 0.07 0.00 0.00 59.98 59.63 3dm5 h ARG 54 Cb 0.69 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.83 3dm5 h ARG 54 CO 0.00 1.07 -0.44 1.49 -1.07 0.00 0.00 179.97 181.02 3dm5 h GLU 55 N 0.07 0.72 -0.29 0.04 4.57 -1.15 -1.79 114.58 116.75 3dm5 h GLU 55 Ca -0.07 -0.46 -0.02 0.00 -1.18 0.00 0.00 59.36 57.63 3dm5 h GLU 55 Cb 1.76 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.39 3dm5 h GLU 55 CO 0.16 1.08 0.10 0.82 -1.18 0.00 0.00 179.01 179.99 3dm5 h ILE 56 N 0.44 1.20 -0.28 2.32 2.04 -1.32 -0.33 117.51 121.57 3dm5 h ILE 56 Ca 0.01 -0.63 0.04 0.00 1.00 0.00 0.00 64.86 65.28 3dm5 h ILE 56 Cb 1.04 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 38.15 3dm5 h ILE 56 CO 0.10 0.21 0.06 -0.61 0.00 0.00 0.00 178.15 177.91 3dm5 h GLN 57 N 0.32 0.16 0.76 2.37 4.15 -1.27 -1.77 115.11 119.84 3dm5 h GLN 57 Ca 0.10 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.47 3dm5 h GLN 57 Cb 0.23 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 27.89 3dm5 h GLN 57 CO -0.00 0.11 -0.37 -0.09 -1.93 0.00 0.00 178.83 176.55 3dm5 h ARG 58 N 0.17 -0.99 -0.93 1.69 2.43 -1.16 -1.01 114.38 114.59 3dm5 h ARG 58 Ca 0.13 0.07 0.13 0.00 -0.81 0.00 0.00 59.98 59.49 3dm5 h ARG 58 Cb 0.13 0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 29.83 3dm5 h ARG 58 CO -0.17 -0.65 0.60 0.00 -1.51 0.00 0.00 179.97 178.24 3dm5 h ARG 59 N -1.04 0.82 0.18 0.20 3.08 -1.03 -1.49 114.38 115.11 3dm5 h ARG 59 Ca -0.10 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 3dm5 h ARG 59 Cb 0.79 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3dm5 h ARG 59 CO 0.17 0.54 -0.09 0.00 -1.07 0.00 0.00 179.97 179.52 3dm5 h ALA 60 N 1.57 -0.25 -0.66 0.04 0.00 -1.14 -2.71 119.26 116.11 3dm5 h ALA 60 Ca 0.46 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.26 3dm5 h ALA 60 Cb 0.57 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 3dm5 h ALA 60 CO -0.22 -0.43 0.32 -0.07 0.00 0.00 0.00 179.25 178.84 3dm5 h LEU 61 N -0.66 0.41 -3.08 0.00 4.07 -0.91 -3.31 115.31 111.83 3dm5 h LEU 61 Ca -0.03 0.06 -0.03 0.00 0.08 0.00 0.00 57.88 57.96 3dm5 h LEU 61 Cb 0.47 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 3dm5 h LEU 61 CO 0.04 0.25 -0.26 -1.84 -1.08 0.00 0.00 178.44 175.55 3dm5 n GLU 62 N -4.88 1.64 -4.60 1.13 0.28 -0.58 -4.99 120.64 108.63 3dm5 n GLU 62 Ca 0.10 -3.06 -0.28 0.00 -0.16 0.00 0.00 57.16 53.75 3dm5 n GLU 62 Cb 0.25 -1.64 -0.17 0.00 1.43 0.00 0.00 31.44 31.31 3dm5 n GLU 62 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 3dm5 s GLU 63 N -3.12 2.25 -0.08 3.44 2.12 -1.02 -4.99 118.70 117.29 3dm5 s GLU 63 Ca 0.38 -0.58 -0.25 0.00 0.36 0.00 0.00 54.97 54.87 3dm5 s GLU 63 Cb 0.35 -1.86 -0.03 0.00 0.26 0.00 0.00 34.13 32.85 3dm5 s GLU 63 CO -0.02 -0.01 0.79 -1.59 -0.54 0.00 0.00 175.26 173.89 3dm5 s LYS 64 N 0.82 4.42 0.25 4.30 0.00 -1.26 -4.92 119.74 123.36 3dm5 s LYS 64 Ca -0.10 1.02 -0.31 0.00 0.00 0.00 0.00 55.97 56.58 3dm5 s LYS 64 Cb -0.16 -3.48 -0.11 0.00 0.00 0.00 0.00 37.83 34.08 3dm5 s LYS 64 CO 0.01 -0.07 1.61 -2.14 0.00 0.00 0.00 175.35 174.77 3dm5 s PRO 65 N 1.21 4.15 1.04 1.78 0.02 -1.26 -4.97 135.00 136.97 3dm5 s PRO 65 Ca 0.40 2.53 -0.16 0.00 0.02 0.00 0.00 61.00 63.80 3dm5 s PRO 65 Cb -0.18 -3.06 0.08 0.00 0.02 0.00 0.00 34.50 31.36 3dm5 s PRO 65 CO 0.18 -0.64 0.23 -0.35 -0.33 0.00 0.00 177.00 176.09 3dm5 n PRO 66 N 2.91 -1.01 -1.68 5.54 -0.04 -1.26 -4.77 135.00 134.69 3dm5 n PRO 66 Ca 0.11 -0.27 -0.50 0.00 -0.04 0.00 0.00 63.50 62.80 3dm5 n PRO 66 Cb 0.37 -1.79 -0.05 0.00 -0.04 0.00 0.00 33.50 31.99 3dm5 n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dm5 n ALA 67 N -4.06 0.58 -0.93 0.55 0.00 -1.26 -1.71 120.51 113.68 3dm5 n ALA 67 Ca 0.04 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3dm5 n ALA 67 Cb 0.58 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3dm5 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dm5 n GLY 68 N 4.15 0.50 3.15 0.00 0.00 -1.26 -5.03 105.19 106.70 3dm5 n GLY 68 Ca 0.23 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 3dm5 n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dm5 s ILE 69 N -2.00 2.14 0.81 -0.61 -1.09 -0.70 -5.12 121.20 114.63 3dm5 s ILE 69 Ca 0.00 -0.93 -0.10 0.00 -2.23 0.00 0.00 60.65 57.38 3dm5 s ILE 69 Cb 0.00 -1.88 0.08 0.00 -1.58 0.00 0.00 42.46 39.08 3dm5 s ILE 69 CO 0.00 0.54 1.10 -0.94 -1.23 0.00 0.00 174.94 174.41 3dm5 s SER 70 N 1.08 4.08 0.22 3.58 1.04 -1.26 -4.51 113.70 117.92 3dm5 s SER 70 Ca -0.00 1.87 -0.08 0.00 0.48 0.00 0.00 55.95 58.22 3dm5 s SER 70 Cb -0.14 -2.50 0.29 0.00 0.10 0.00 0.00 66.02 63.77 3dm5 s SER 70 CO -0.08 -2.31 1.78 0.11 0.98 0.00 0.00 173.24 173.72 3dm5 h LYS 71 N -1.32 0.58 -0.41 4.02 6.56 -1.97 -1.57 116.57 122.45 3dm5 h LYS 71 Ca -0.44 -0.03 0.04 0.00 -1.06 0.00 0.00 60.65 59.16 3dm5 h LYS 71 Cb 1.24 -0.13 -0.04 0.00 -0.57 0.00 0.00 32.23 32.73 3dm5 h LYS 71 CO 0.50 0.38 0.17 -0.22 -2.06 0.00 0.00 179.45 178.21 3dm5 h LYS 72 N 0.60 0.33 0.00 3.15 3.64 -1.95 -0.96 116.57 121.38 3dm5 h LYS 72 Ca 0.32 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 3dm5 h LYS 72 Cb 0.31 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3dm5 h LYS 72 CO -0.24 0.22 -0.06 0.93 -2.27 0.00 0.00 179.45 178.02 3dm5 h GLU 73 N 0.34 0.00 0.01 1.90 5.08 -1.83 -2.72 114.58 117.36 3dm5 h GLU 73 Ca 0.19 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.31 3dm5 h GLU 73 Cb 0.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3dm5 h GLU 73 CO -0.17 0.06 -1.20 1.25 -1.00 0.00 0.00 179.01 177.95 3dm5 h HIS 74 N 0.00 0.04 -0.11 4.33 2.76 -0.73 -2.51 115.15 118.92 3dm5 h HIS 74 Ca -0.00 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 3dm5 h HIS 74 Cb 0.82 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.77 3dm5 h HIS 74 CO 0.00 1.03 0.04 0.82 -1.30 0.00 0.00 177.93 178.52 3dm5 h ILE 75 N 0.01 1.15 -0.86 6.26 1.08 -1.02 0.10 117.51 124.22 3dm5 h ILE 75 Ca -0.09 -0.43 0.14 0.00 -0.39 0.00 0.00 64.86 64.09 3dm5 h ILE 75 Cb 1.85 1.23 -0.09 0.00 -3.07 0.00 0.00 36.82 36.74 3dm5 h ILE 75 CO 0.12 0.13 0.46 0.40 -0.69 0.00 0.00 178.15 178.57 3dm5 h ILE 76 N 0.02 0.75 -0.15 -0.67 1.08 -1.49 -1.01 117.51 116.04 3dm5 h ILE 76 Ca 0.04 -0.23 -0.02 0.00 -0.39 0.00 0.00 64.86 64.26 3dm5 h ILE 76 Cb 0.17 0.03 -0.01 0.00 -3.07 0.00 0.00 36.82 33.94 3dm5 h ILE 76 CO -0.00 0.12 0.03 0.50 -0.69 0.00 0.00 178.15 178.11 3dm5 h LYS 77 N 0.66 0.25 -0.14 2.37 3.11 -0.98 -2.27 116.57 119.57 3dm5 h LYS 77 Ca 0.46 -0.06 0.04 0.00 -2.81 0.00 0.00 60.65 58.29 3dm5 h LYS 77 Cb 0.63 -0.03 -0.05 0.00 -1.00 0.00 0.00 32.23 31.78 3dm5 h LYS 77 CO -0.35 0.41 -0.16 0.82 -2.81 0.00 0.00 179.45 177.36 3dm5 h ILE 78 N 0.04 0.57 -0.40 2.00 2.04 0.14 -1.46 117.51 120.45 3dm5 h ILE 78 Ca 0.05 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.97 3dm5 h ILE 78 Cb 0.28 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 3dm5 h ILE 78 CO 0.00 0.00 0.09 0.58 0.00 0.00 0.00 178.15 178.82 3dm5 h VAL 79 N -0.20 0.81 -0.80 1.67 2.07 -1.22 -0.06 116.25 118.52 3dm5 h VAL 79 Ca 0.10 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3dm5 h VAL 79 Cb 0.34 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3dm5 h VAL 79 CO -0.26 0.04 0.46 0.22 0.02 0.00 0.00 177.57 178.06 3dm5 h TYR 80 N 0.22 1.07 0.09 1.57 5.03 -1.05 -1.76 116.97 122.14 3dm5 h TYR 80 Ca 0.19 -0.01 -0.25 0.00 2.58 0.00 0.00 58.73 61.24 3dm5 h TYR 80 Cb 0.22 -0.35 0.02 0.00 1.55 0.00 0.00 36.73 38.18 3dm5 h TYR 80 CO -0.19 0.73 -1.05 1.49 -1.32 0.00 0.00 178.16 177.81 3dm5 h GLU 81 N 1.11 0.55 -0.24 1.82 4.81 -0.91 -2.06 114.58 119.66 3dm5 h GLU 81 Ca 0.29 -0.71 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 3dm5 h GLU 81 Cb -0.01 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3dm5 h GLU 81 CO -0.05 1.31 0.11 0.93 -0.73 0.00 0.00 179.01 180.58 3dm5 h GLU 82 N 0.12 0.35 -0.82 1.92 4.39 -0.94 -2.51 114.58 117.09 3dm5 h GLU 82 Ca -0.16 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.47 3dm5 h GLU 82 Cb 1.75 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 30.30 3dm5 h GLU 82 CO 0.20 0.37 0.44 -0.07 -1.16 0.00 0.00 179.01 178.79 3dm5 h LEU 83 N 0.25 1.03 -0.78 1.33 3.38 -1.37 -1.64 115.31 117.51 3dm5 h LEU 83 Ca 0.08 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3dm5 h LEU 83 Cb 0.14 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3dm5 h LEU 83 CO -0.01 0.83 0.38 0.74 0.09 0.00 0.00 178.44 180.47 3dm5 h THR 84 N 1.15 1.25 0.00 0.22 2.02 -1.24 -2.27 112.91 114.04 3dm5 h THR 84 Ca 0.29 -0.70 -0.09 0.00 0.77 0.00 0.00 66.41 66.68 3dm5 h THR 84 Cb 0.04 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 3dm5 h THR 84 CO -0.04 0.30 -0.44 0.11 0.37 0.00 0.00 175.52 175.81 3dm5 h LYS 85 N 1.11 0.00 0.00 6.66 1.57 -1.11 -0.40 116.57 124.39 3dm5 h LYS 85 Ca 0.27 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 3dm5 h LYS 85 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 3dm5 h LYS 85 CO -0.03 0.44 -0.09 0.35 -0.57 0.00 0.00 179.45 179.55 3dm5 h PHE 86 N 0.00 0.00 -0.23 -1.35 3.57 -0.73 -2.76 116.94 115.44 3dm5 h PHE 86 Ca -0.00 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 3dm5 h PHE 86 Cb 0.84 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.52 3dm5 h PHE 86 CO 0.00 0.09 -0.17 1.28 -2.23 0.00 0.00 178.31 177.28 3dm5 n LEU 87 N -3.25 3.62 0.00 0.59 4.77 -1.02 -4.67 117.00 117.04 3dm5 n LEU 87 Ca 0.00 -3.68 0.00 0.00 -0.03 0.00 0.00 56.01 52.30 3dm5 n LEU 87 Cb 0.33 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 3dm5 n LEU 87 CO 0.29 1.19 0.00 0.61 -1.33 0.00 0.00 177.39 178.16 3dm5 n GLY 88 N -1.09 0.64 5.00 -0.72 0.00 -1.04 -4.69 105.19 103.30 3dm5 n GLY 88 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3dm5 n GLY 88 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dm5 n THR 89 N -1.49 0.00 -3.70 2.61 -1.04 -0.19 -4.76 114.28 105.71 3dm5 n THR 89 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 3dm5 n THR 89 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 3dm5 n THR 89 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 3dm5 s GLU 90 N 0.00 1.10 0.33 -2.82 -1.05 -1.26 -4.36 118.70 110.64 3dm5 s GLU 90 Ca 0.00 -0.80 -0.29 0.00 -0.15 0.00 0.00 54.97 53.73 3dm5 s GLU 90 Cb 0.00 0.46 -0.11 0.00 -0.44 0.00 0.00 34.13 34.03 3dm5 s GLU 90 CO 0.00 -0.43 1.56 0.00 0.95 0.00 0.00 175.26 177.34 3dm5 s ALA 91 N -3.84 3.68 -0.53 -0.84 0.00 -1.26 -4.67 121.76 114.30 3dm5 s ALA 91 Ca 0.05 1.59 0.04 0.00 0.00 0.00 0.00 51.96 53.64 3dm5 s ALA 91 Cb 0.02 -3.64 0.15 0.00 0.00 0.00 0.00 23.12 19.65 3dm5 s ALA 91 CO -0.09 -1.03 0.34 0.15 0.00 0.00 0.00 175.76 175.12 3dm5 s LYS 92 N -1.16 1.74 1.11 0.00 -0.14 -1.26 -5.07 119.74 114.96 3dm5 s LYS 92 Ca 0.59 -2.56 -0.12 0.00 -1.36 0.00 0.00 55.97 52.51 3dm5 s LYS 92 Cb -0.48 -2.74 0.25 0.00 -1.68 0.00 0.00 37.83 33.18 3dm5 s LYS 92 CO 0.54 -1.22 1.05 -1.25 -0.76 0.00 0.00 175.35 173.71 3dm5 s PRO 93 N -0.38 -0.49 -0.21 -1.68 0.04 -1.26 -4.77 135.00 126.24 3dm5 s PRO 93 Ca 0.22 0.89 -0.22 0.00 0.04 0.00 0.00 61.00 61.93 3dm5 s PRO 93 Cb -0.15 -1.60 -0.02 0.00 0.04 0.00 0.00 34.50 32.78 3dm5 s PRO 93 CO -0.08 -3.45 0.68 0.42 0.04 0.00 0.00 177.00 174.61 3dm5 s ILE 94 N -2.55 4.97 -0.09 0.56 1.01 -1.26 -5.05 121.20 118.79 3dm5 s ILE 94 Ca 0.68 1.28 -0.28 0.00 0.00 0.00 0.00 60.65 62.33 3dm5 s ILE 94 Cb -0.24 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 3dm5 s ILE 94 CO 0.63 0.06 0.91 -1.61 0.00 0.00 0.00 174.94 174.93 3dm5 s GLU 95 N 2.17 4.42 -0.60 2.79 2.02 -1.26 -5.02 118.70 123.23 3dm5 s GLU 95 Ca 0.30 1.22 -0.11 0.00 0.02 0.00 0.00 54.97 56.41 3dm5 s GLU 95 Cb -0.16 -3.52 0.15 0.00 0.10 0.00 0.00 34.13 30.71 3dm5 s GLU 95 CO 0.10 -0.20 0.49 0.42 0.02 0.00 0.00 175.26 176.09 3dm5 s ILE 96 N 1.63 4.65 0.08 -1.63 -1.09 -1.26 -4.84 121.20 118.73 3dm5 s ILE 96 Ca 0.45 -2.10 -0.00 0.00 -2.23 0.00 0.00 60.65 56.77 3dm5 s ILE 96 Cb -0.18 -3.99 -0.00 0.00 -1.58 0.00 0.00 42.46 36.71 3dm5 s ILE 96 CO 0.19 -0.87 -0.01 0.29 -1.23 0.00 0.00 174.94 173.31 3dm5 n LYS 97 N 4.51 0.01 -1.08 2.79 4.01 -1.26 -5.07 118.16 122.07 3dm5 n LYS 97 Ca -0.01 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.44 3dm5 n LYS 97 Cb 0.42 -0.51 0.08 0.00 -0.51 0.00 0.00 35.03 34.51 3dm5 n LYS 97 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3dm5 n GLU 98 N -3.43 0.06 0.00 1.97 1.02 -1.26 -4.98 120.64 114.02 3dm5 n GLU 98 Ca -0.00 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 3dm5 n GLU 98 Cb 0.09 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 3dm5 n GLU 98 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3dm5 n LYS 99 N -0.80 2.47 -0.98 3.49 3.00 -1.26 -3.83 118.16 120.24 3dm5 n LYS 99 Ca 0.08 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.00 3dm5 n LYS 99 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.45 3dm5 n LYS 99 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3dm5 n PRO 100 N 0.00 0.00 -2.61 1.64 -0.02 -1.26 -4.66 135.00 128.09 3dm5 n PRO 100 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 3dm5 n PRO 100 Cb 0.00 -1.10 -0.02 0.00 -0.02 0.00 0.00 33.50 32.36 3dm5 n PRO 100 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3dm5 s THR 101 N 5.14 4.57 -0.22 3.45 2.01 -0.21 -4.88 115.64 125.50 3dm5 s THR 101 Ca 0.92 1.88 -0.09 0.00 0.31 0.00 0.00 61.69 64.71 3dm5 s THR 101 Cb -1.04 -4.27 -0.04 0.00 0.01 0.00 0.00 72.50 67.16 3dm5 s THR 101 CO 0.44 -0.23 0.11 -0.63 -0.69 0.00 0.00 174.62 173.62 3dm5 s ILE 102 N 3.36 4.98 -0.18 1.82 1.01 -1.26 -1.73 121.20 129.20 3dm5 s ILE 102 Ca 0.46 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 61.15 3dm5 s ILE 102 Cb -0.16 -3.30 -0.00 0.00 0.01 0.00 0.00 42.46 39.02 3dm5 s ILE 102 CO 0.09 0.39 -0.12 -0.76 0.00 0.00 0.00 174.94 174.54 3dm5 s LEU 103 N 0.87 2.57 -0.25 2.97 1.43 0.08 -0.16 118.68 126.20 3dm5 s LEU 103 Ca 0.06 -0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 52.62 3dm5 s LEU 103 Cb -0.13 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 3dm5 s LEU 103 CO 0.03 0.04 0.08 -0.22 0.23 0.00 0.00 176.35 176.51 3dm5 s LEU 104 N 1.09 3.50 -0.20 1.79 2.96 0.18 -0.40 118.68 127.60 3dm5 s LEU 104 Ca 0.00 -0.18 -0.07 0.00 -0.22 0.00 0.00 54.13 53.66 3dm5 s LEU 104 Cb -0.14 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 3dm5 s LEU 104 CO -0.03 -0.03 0.06 -0.04 -1.32 0.00 0.00 176.35 174.99 3dm5 s MET 105 N 1.57 3.87 0.17 1.98 -1.94 0.92 0.32 119.30 126.19 3dm5 s MET 105 Ca 0.06 -0.39 0.08 0.00 -1.71 0.00 0.00 55.69 53.73 3dm5 s MET 105 Cb -0.15 -3.23 -0.04 0.00 2.01 0.00 0.00 34.83 33.41 3dm5 s MET 105 CO 0.04 0.14 -0.16 0.14 -0.01 0.00 0.00 175.02 175.16 3dm5 s VAL 106 N 0.74 1.69 0.00 -6.03 -7.23 -0.19 -2.42 120.40 106.96 3dm5 s VAL 106 Ca 0.03 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 3dm5 s VAL 106 Cb -0.13 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 34.97 3dm5 s VAL 106 CO 0.02 -0.42 0.00 0.61 -0.31 0.00 0.00 175.10 175.00 3dm5 n GLY 107 N 0.15 2.75 3.92 2.32 0.00 -1.26 -1.22 105.19 111.85 3dm5 n GLY 107 Ca -0.12 -0.66 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 3dm5 n GLY 107 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dm5 s ILE 108 N -2.00 3.48 0.22 -0.61 -4.36 -1.26 -3.98 121.20 112.69 3dm5 s ILE 108 Ca 0.00 -0.10 -0.32 0.00 -0.26 0.00 0.00 60.65 59.98 3dm5 s ILE 108 Cb 0.00 -3.38 -0.14 0.00 1.25 0.00 0.00 42.46 40.19 3dm5 s ILE 108 CO 0.00 -0.38 1.39 0.00 0.24 0.00 0.00 174.94 176.18 3dm5 n GLN 109 N -2.57 1.91 -1.47 0.37 10.64 -0.13 -1.83 117.38 124.30 3dm5 n GLN 109 Ca 0.05 0.68 -0.09 0.00 -1.83 0.00 0.00 57.00 55.81 3dm5 n GLN 109 Cb 0.58 -2.33 -0.03 0.00 -0.86 0.00 0.00 30.24 27.61 3dm5 n GLN 109 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3dm5 n GLY 110 N 2.23 0.80 0.11 2.61 0.00 -1.26 -4.88 105.19 104.80 3dm5 n GLY 110 Ca 0.12 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.65 3dm5 n GLY 110 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dm5 h SER 111 N 0.00 0.00 0.00 1.61 4.64 -1.69 -3.45 113.55 114.65 3dm5 h SER 111 Ca -0.18 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3dm5 h SER 111 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3dm5 h SER 111 CO 0.26 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.87 3dm5 n GLY 112 N 1.26 0.71 0.30 -0.77 0.00 -1.26 -4.04 105.19 101.38 3dm5 n GLY 112 Ca 0.03 -0.64 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 3dm5 n GLY 112 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3dm5 h LYS 113 N 0.00 -0.68 -0.48 1.61 3.64 -1.90 -0.31 116.57 118.45 3dm5 h LYS 113 Ca 0.00 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.51 3dm5 h LYS 113 Cb 0.14 0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 32.02 3dm5 h LYS 113 CO 0.00 -0.40 -0.41 1.15 -2.27 0.00 0.00 179.45 177.52 3dm5 h THR 114 N -0.82 0.13 -0.33 1.00 2.02 -1.96 0.14 112.91 113.08 3dm5 h THR 114 Ca -0.07 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.14 3dm5 h THR 114 Cb 0.59 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 3dm5 h THR 114 CO 0.12 0.00 0.12 0.74 0.37 0.00 0.00 175.52 176.87 3dm5 h THR 115 N -0.27 0.92 -0.24 3.16 2.02 -1.97 -0.68 112.91 115.86 3dm5 h THR 115 Ca 0.17 -0.09 0.07 0.00 0.77 0.00 0.00 66.41 67.32 3dm5 h THR 115 Cb 0.57 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3dm5 h THR 115 CO -0.62 0.05 0.18 0.74 0.37 0.00 0.00 175.52 176.24 3dm5 h THR 116 N 0.27 0.84 -0.52 3.16 2.02 -0.07 -0.95 112.91 117.66 3dm5 h THR 116 Ca 0.14 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.23 3dm5 h THR 116 Cb 0.11 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 3dm5 h THR 116 CO -0.14 0.00 -0.03 0.58 0.37 0.00 0.00 175.52 176.30 3dm5 h VAL 117 N 0.00 1.27 -0.40 3.16 2.07 0.81 -1.11 116.25 122.04 3dm5 h VAL 117 Ca 0.11 -1.15 -0.08 0.00 0.82 0.00 0.00 66.70 66.40 3dm5 h VAL 117 Cb 0.46 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3dm5 h VAL 117 CO -0.00 0.41 -0.08 0.00 0.02 0.00 0.00 177.57 177.92 3dm5 h ALA 118 N 0.93 0.55 -0.33 1.67 0.00 -1.05 -1.68 119.26 119.36 3dm5 h ALA 118 Ca 0.14 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3dm5 h ALA 118 Cb 0.57 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3dm5 h ALA 118 CO 0.03 0.41 0.17 0.87 0.00 0.00 0.00 179.25 180.74 3dm5 h LYS 119 N 0.58 0.35 -0.50 0.00 1.57 -0.98 0.02 116.57 117.60 3dm5 h LYS 119 Ca 0.10 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3dm5 h LYS 119 Cb 0.60 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3dm5 h LYS 119 CO 0.04 0.23 0.12 1.25 -0.57 0.00 0.00 179.45 180.52 3dm5 h LEU 120 N 0.36 0.76 -0.18 2.94 5.85 -1.17 0.12 115.31 123.99 3dm5 h LEU 120 Ca 0.13 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.63 3dm5 h LEU 120 Cb 0.03 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3dm5 h LEU 120 CO -0.08 0.80 0.08 0.00 -0.34 0.00 0.00 178.44 178.90 3dm5 h ALA 121 N 0.99 0.21 -0.74 1.25 0.00 -1.04 -2.23 119.26 117.70 3dm5 h ALA 121 Ca 0.16 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3dm5 h ALA 121 Cb 0.34 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3dm5 h ALA 121 CO 0.00 -0.34 0.21 -0.09 0.00 0.00 0.00 179.25 179.04 3dm5 h ARG 122 N 0.19 1.16 -0.49 0.00 9.65 -0.85 -0.56 114.38 123.47 3dm5 h ARG 122 Ca 0.07 -0.26 0.09 0.00 -1.10 0.00 0.00 59.98 58.78 3dm5 h ARG 122 Cb 0.02 -0.16 -0.07 0.00 -1.39 0.00 0.00 29.97 28.37 3dm5 h ARG 122 CO -0.06 1.00 0.08 -0.92 2.80 0.00 0.00 179.97 182.87 3dm5 h TYR 123 N 1.11 0.12 -0.25 2.20 3.20 -0.51 -0.52 116.97 122.33 3dm5 h TYR 123 Ca 0.24 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.94 3dm5 h TYR 123 Cb 0.33 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.63 3dm5 h TYR 123 CO 0.03 -0.02 -0.62 0.74 -1.64 0.00 0.00 178.16 176.65 3dm5 h PHE 124 N 0.21 1.10 -0.09 -3.82 0.05 -1.00 -3.22 116.94 110.17 3dm5 h PHE 124 Ca 0.25 -0.42 -0.00 0.00 3.82 0.00 0.00 57.97 61.61 3dm5 h PHE 124 Cb 0.34 -0.20 -0.00 0.00 2.00 0.00 0.00 35.95 38.09 3dm5 h PHE 124 CO -0.24 1.25 0.04 0.37 -0.18 0.00 0.00 178.31 179.56 3dm5 h GLN 125 N 0.63 0.13 -1.04 1.51 4.15 -0.87 -1.39 115.11 118.23 3dm5 h GLN 125 Ca -0.01 -0.02 0.30 0.00 0.77 0.00 0.00 58.65 59.70 3dm5 h GLN 125 Cb 1.23 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.86 3dm5 h GLN 125 CO 0.13 0.20 0.99 0.87 -1.93 0.00 0.00 178.83 179.09 3dm5 h LYS 126 N 0.03 0.00 -0.53 1.69 1.57 -1.17 0.04 116.57 118.20 3dm5 h LYS 126 Ca 0.03 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 3dm5 h LYS 126 Cb 0.11 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.34 3dm5 h LYS 126 CO -0.00 0.00 0.12 0.54 -0.57 0.00 0.00 179.45 179.54 3dm5 n ARG 127 N -3.63 3.31 -0.58 3.15 1.74 -0.55 -4.92 116.66 115.17 3dm5 n ARG 127 Ca 0.23 -3.04 0.00 0.00 -0.77 0.00 0.00 57.85 54.26 3dm5 n ARG 127 Cb 1.32 -2.06 0.00 0.00 -1.02 0.00 0.00 32.46 30.70 3dm5 n ARG 127 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dm5 n GLY 128 N -0.35 0.70 3.89 -0.13 0.00 -0.00 -5.06 105.19 104.24 3dm5 n GLY 128 Ca 0.33 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 3dm5 n GLY 128 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dm5 s TYR 129 N -2.00 3.45 -0.11 1.61 2.02 -1.04 -5.02 117.35 116.26 3dm5 s TYR 129 Ca 0.00 0.72 -0.23 0.00 -0.37 0.00 0.00 57.07 57.20 3dm5 s TYR 129 Cb 0.00 -2.14 -0.03 0.00 -0.40 0.00 0.00 41.96 39.39 3dm5 s TYR 129 CO 0.00 0.32 0.68 0.15 -1.57 0.00 0.00 175.55 175.12 3dm5 s LYS 130 N -2.87 4.37 -0.02 -0.62 1.02 -1.26 -4.30 119.74 116.06 3dm5 s LYS 130 Ca 0.45 0.80 0.06 0.00 0.02 0.00 0.00 55.97 57.30 3dm5 s LYS 130 Cb -0.11 -3.49 -0.02 0.00 -0.52 0.00 0.00 37.83 33.69 3dm5 s LYS 130 CO 0.24 -0.03 -0.21 0.08 -0.92 0.00 0.00 175.35 174.51 3dm5 s VAL 131 N 1.16 1.64 -0.01 3.17 1.01 -1.26 -1.31 120.40 124.79 3dm5 s VAL 131 Ca 0.35 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.50 3dm5 s VAL 131 Cb -0.17 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 3dm5 s VAL 131 CO 0.15 0.46 -0.21 -0.83 0.00 0.00 0.00 175.10 174.67 3dm5 s GLY 132 N -0.49 1.04 0.02 4.51 0.00 -0.00 -3.82 107.32 108.58 3dm5 s GLY 132 Ca 0.08 -0.92 0.04 0.00 0.00 0.00 0.00 44.72 43.93 3dm5 s GLY 132 CO -0.01 -0.76 -0.09 -1.34 0.00 0.00 0.00 173.10 170.90 3dm5 s VAL 133 N -0.51 3.48 -0.18 1.40 -7.23 -0.08 -1.06 120.40 116.22 3dm5 s VAL 133 Ca 0.08 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.36 3dm5 s VAL 133 Cb -0.08 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.35 3dm5 s VAL 133 CO -0.01 0.35 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.26 3dm5 s VAL 134 N -1.01 2.24 -0.59 1.32 1.01 0.14 -0.43 120.40 123.08 3dm5 s VAL 134 Ca 0.17 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 3dm5 s VAL 134 Cb -0.11 -1.95 0.13 0.00 0.00 0.00 0.00 36.38 34.44 3dm5 s VAL 134 CO 0.08 0.52 0.61 0.00 0.00 0.00 0.00 175.10 176.31 3dm5 n SER 136 N 5.59 3.77 -4.52 0.00 3.41 0.26 -4.48 113.62 117.65 3dm5 n SER 136 Ca -0.09 -3.49 -0.42 0.00 -0.26 0.00 0.00 58.87 54.60 3dm5 n SER 136 Cb 0.42 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.60 3dm5 n SER 136 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3dm5 s ASP 137 N -1.58 6.54 0.00 4.04 -1.08 -1.05 -3.68 116.67 119.85 3dm5 s ASP 137 Ca 0.52 -1.64 0.27 0.00 -0.52 0.00 0.00 52.55 51.18 3dm5 s ASP 137 Cb 0.44 -2.51 0.90 0.00 -1.46 0.00 0.00 42.92 40.29 3dm5 s ASP 137 CO 0.09 -1.35 1.68 0.35 0.52 0.00 0.00 175.17 176.46 3dm5 n THR 138 N 6.36 0.00 0.08 1.71 -2.24 -1.26 -3.43 114.28 115.49 3dm5 n THR 138 Ca 0.29 -0.01 -0.05 0.00 -2.27 0.00 0.00 64.05 62.01 3dm5 n THR 138 Cb 0.50 -0.10 -0.07 0.00 -2.10 0.00 0.00 70.33 68.57 3dm5 n THR 138 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3dm5 h TRP 139 N 0.09 0.00 -1.64 4.78 7.01 -1.86 -3.39 115.95 120.94 3dm5 h TRP 139 Ca 0.00 0.00 -0.38 0.00 2.11 0.00 0.00 58.89 60.62 3dm5 h TRP 139 Cb 0.48 0.00 -0.27 0.00 -2.10 0.00 0.00 29.16 27.27 3dm5 h TRP 139 CO 0.00 0.88 -0.75 2.89 -2.79 0.00 0.00 178.44 178.67 3dm5 n ARG 140 N -3.37 0.39 0.17 2.65 1.85 -1.25 -5.00 116.66 112.10 3dm5 n ARG 140 Ca 0.00 -2.61 0.08 0.00 -1.00 0.00 0.00 57.85 54.32 3dm5 n ARG 140 Cb 0.88 -1.55 0.44 0.00 -1.05 0.00 0.00 32.46 31.17 3dm5 n ARG 140 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 3dm5 h PRO 141 N 5.20 0.00 0.00 2.89 0.13 -1.76 0.09 132.00 138.55 3dm5 h PRO 141 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3dm5 h PRO 141 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 3dm5 h PRO 141 CO 0.21 0.00 0.16 0.78 -0.23 0.00 0.00 178.00 178.92 3dm5 h GLY 142 N 0.00 0.00 1.70 1.56 0.00 -1.96 -2.52 103.07 101.85 3dm5 h GLY 142 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 3dm5 h GLY 142 CO 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 176.54 176.36 3dm5 h ALA 143 N 1.62 1.31 -0.21 3.60 0.00 -1.29 -1.14 119.26 123.14 3dm5 h ALA 143 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.65 3dm5 h ALA 143 Cb 0.31 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3dm5 h ALA 143 CO 0.00 0.46 0.09 -0.92 0.00 0.00 0.00 179.25 178.88 3dm5 h TYR 144 N 0.33 0.16 -0.49 0.00 3.20 -1.70 -1.34 116.97 117.14 3dm5 h TYR 144 Ca 0.06 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.81 3dm5 h TYR 144 Cb 0.51 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 3dm5 h TYR 144 CO 0.01 0.09 -0.19 0.45 -1.64 0.00 0.00 178.16 176.88 3dm5 h HIS 145 N 0.20 1.12 -0.94 -3.82 3.86 -1.62 -1.52 115.15 112.42 3dm5 h HIS 145 Ca 0.09 -0.26 0.10 0.00 -1.16 0.00 0.00 60.37 59.14 3dm5 h HIS 145 Cb 0.04 -0.26 -0.07 0.00 1.06 0.00 0.00 27.41 28.18 3dm5 h HIS 145 CO -0.11 1.08 0.60 0.37 0.86 0.00 0.00 177.93 180.73 3dm5 h GLN 146 N 0.85 0.92 -0.27 2.45 4.15 -1.07 0.69 115.11 122.83 3dm5 h GLN 146 Ca 0.12 -0.06 -0.17 0.00 0.77 0.00 0.00 58.65 59.32 3dm5 h GLN 146 Cb 0.76 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.24 3dm5 h GLN 146 CO 0.06 0.61 -0.47 -0.07 -1.93 0.00 0.00 178.83 177.03 3dm5 h LEU 147 N 0.95 0.89 -0.21 -2.39 3.38 -0.95 -1.50 115.31 115.48 3dm5 h LEU 147 Ca 0.44 -0.53 0.04 0.00 0.09 0.00 0.00 57.88 57.92 3dm5 h LEU 147 Cb 0.40 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3dm5 h LEU 147 CO -0.20 1.25 -0.04 0.03 0.09 0.00 0.00 178.44 179.56 3dm5 h ARG 148 N 0.56 0.01 -0.57 1.13 2.47 -0.72 -0.15 114.38 117.11 3dm5 h ARG 148 Ca 0.02 -0.00 0.11 0.00 -1.26 0.00 0.00 59.98 58.85 3dm5 h ARG 148 Cb 1.08 -0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 29.30 3dm5 h ARG 148 CO 0.11 0.01 -0.00 0.37 0.56 0.00 0.00 179.97 181.01 3dm5 h GLN 149 N 0.01 0.11 0.00 0.04 4.15 -0.78 -0.05 115.11 118.60 3dm5 h GLN 149 Ca 0.10 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.43 3dm5 h GLN 149 Cb 0.15 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 3dm5 h GLN 149 CO -0.21 0.07 -0.40 -0.07 -1.93 0.00 0.00 178.83 176.29 3dm5 h LEU 150 N 0.12 0.00 0.00 -2.39 3.38 -0.80 -3.40 115.31 112.21 3dm5 h LEU 150 Ca 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 3dm5 h LEU 150 Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3dm5 h LEU 150 CO -0.48 0.40 -1.15 0.18 0.09 0.00 0.00 178.44 177.48 3dm5 n LEU 151 N -3.37 0.00 -0.35 1.67 4.77 -0.11 -4.64 117.00 114.97 3dm5 n LEU 151 Ca 0.01 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.04 3dm5 n LEU 151 Cb 0.59 0.01 0.21 0.00 -2.33 0.00 0.00 43.42 41.90 3dm5 n LEU 151 CO 0.38 0.01 1.23 0.44 -1.33 0.00 0.00 177.39 178.11 3dm5 h ASP 152 N 0.00 0.92 -0.33 -1.43 3.32 -1.21 -0.92 116.42 116.76 3dm5 h ASP 152 Ca -0.01 0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.17 3dm5 h ASP 152 Cb 0.28 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3dm5 h ASP 152 CO 0.00 0.52 0.31 0.03 -1.72 0.00 0.00 179.24 178.38 3dm5 h ARG 153 N 1.01 0.00 -0.07 3.56 3.08 -1.82 0.21 114.38 120.36 3dm5 h ARG 153 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 3dm5 h ARG 153 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3dm5 h ARG 153 CO -0.24 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.32 3dm5 n TYR 154 N -3.96 0.05 -1.46 3.04 4.01 -0.37 -4.93 117.16 113.55 3dm5 n TYR 154 Ca 0.05 -0.03 -0.16 0.00 -0.16 0.00 0.00 57.90 57.61 3dm5 n TYR 154 Cb 0.48 -0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.44 3dm5 n TYR 154 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3dm5 n HIS 155 N 1.31 0.00 -2.35 -0.72 8.25 0.75 -4.94 115.22 117.52 3dm5 n HIS 155 Ca 0.14 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.17 3dm5 n HIS 155 Cb 0.58 -3.02 -0.02 0.00 1.12 0.00 0.00 29.99 28.64 3dm5 n HIS 155 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3dm5 s ILE 156 N -2.41 4.13 0.29 1.59 1.01 -1.20 -4.98 121.20 119.63 3dm5 s ILE 156 Ca 0.00 1.34 -0.30 0.00 0.00 0.00 0.00 60.65 61.69 3dm5 s ILE 156 Cb 0.00 -3.94 -0.11 0.00 0.01 0.00 0.00 42.46 38.42 3dm5 s ILE 156 CO 0.00 -0.20 1.57 -0.70 0.00 0.00 0.00 174.94 175.61 3dm5 s GLU 157 N 3.77 4.14 -0.30 2.79 2.12 -1.25 -4.56 118.70 125.41 3dm5 s GLU 157 Ca 0.59 2.54 0.03 0.00 0.36 0.00 0.00 54.97 58.49 3dm5 s GLU 157 Cb -0.23 -3.03 0.08 0.00 0.26 0.00 0.00 34.13 31.22 3dm5 s GLU 157 CO 0.19 -0.60 -0.01 0.08 -0.54 0.00 0.00 175.26 174.38 3dm5 s VAL 158 N -0.04 2.12 0.06 3.70 1.01 -1.26 -0.90 120.40 125.09 3dm5 s VAL 158 Ca 0.62 -1.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.33 3dm5 s VAL 158 Cb -0.47 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 3dm5 s VAL 158 CO 0.48 -0.37 0.95 0.12 0.00 0.00 0.00 175.10 176.28 3dm5 s PHE 159 N 1.04 3.75 0.08 5.22 5.36 0.42 -4.95 117.98 128.90 3dm5 s PHE 159 Ca 0.03 1.74 -0.03 0.00 -0.96 0.00 0.00 56.93 57.70 3dm5 s PHE 159 Cb -0.19 -3.06 0.01 0.00 -0.34 0.00 0.00 43.02 39.44 3dm5 s PHE 159 CO -0.08 0.13 0.18 0.41 -1.46 0.00 0.00 175.22 174.40 3dm5 n GLY 160 N 2.52 1.70 2.70 13.12 0.00 -1.26 -0.33 105.19 123.63 3dm5 n GLY 160 Ca 0.03 -1.05 -0.02 0.00 0.00 0.00 0.00 46.02 44.98 3dm5 n GLY 160 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dm5 s ASN 161 N -1.45 -0.36 0.00 1.61 2.47 -1.26 -5.00 114.94 110.94 3dm5 s ASN 161 Ca 0.04 -0.39 0.00 0.00 0.42 0.00 0.00 52.86 52.93 3dm5 s ASN 161 Cb -0.01 0.47 0.00 0.00 -1.45 0.00 0.00 41.25 40.26 3dm5 s ASN 161 CO 0.02 -0.02 0.63 -2.65 -3.72 0.00 0.00 177.10 171.36 3dm5 n PRO 162 N 2.83 0.00 -1.74 0.43 -0.02 -1.26 0.17 135.00 135.40 3dm5 n PRO 162 Ca 0.11 0.16 -0.24 0.00 -2.02 0.00 0.00 63.50 61.51 3dm5 n PRO 162 Cb 0.64 -1.78 0.05 0.00 -0.02 0.00 0.00 33.50 32.39 3dm5 n PRO 162 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3dm5 n GLN 163 N -1.13 3.23 -4.81 -0.52 3.00 -1.26 -4.93 117.38 110.96 3dm5 n GLN 163 Ca 0.00 -3.88 -0.25 0.00 -0.01 0.00 0.00 57.00 52.86 3dm5 n GLN 163 Cb 0.28 -2.23 -0.15 0.00 0.00 0.00 0.00 30.24 28.14 3dm5 n GLN 163 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 3dm5 s GLU 164 N -3.62 1.40 0.00 -1.09 2.56 0.13 -5.06 118.70 113.02 3dm5 s GLU 164 Ca 0.53 -0.65 0.00 0.00 0.00 0.00 0.00 54.97 54.85 3dm5 s GLU 164 Cb 0.43 -1.37 0.00 0.00 2.00 0.00 0.00 34.13 35.19 3dm5 s GLU 164 CO 0.02 0.37 0.15 0.36 -0.56 0.00 0.00 175.26 175.61 3dm5 n LYS 165 N 2.57 4.29 -3.29 4.30 2.85 -1.26 -4.86 118.16 122.76 3dm5 n LYS 165 Ca -0.15 -0.15 -0.41 0.00 -1.05 0.00 0.00 58.31 56.55 3dm5 n LYS 165 Cb 0.54 -0.64 -0.08 0.00 -0.65 0.00 0.00 35.03 34.20 3dm5 n LYS 165 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3dm5 s ASP 166 N -0.66 6.30 -0.02 -5.58 2.15 -1.26 -4.97 116.67 112.64 3dm5 s ASP 166 Ca 0.00 0.06 -0.26 0.00 0.43 0.00 0.00 52.55 52.78 3dm5 s ASP 166 Cb 0.00 -2.25 -0.20 0.00 -0.30 0.00 0.00 42.92 40.17 3dm5 s ASP 166 CO 0.00 -0.39 1.27 0.00 -0.17 0.00 0.00 175.17 175.88 3dm5 h ALA 167 N 8.36 -0.03 -0.56 3.66 0.00 -1.91 -0.95 119.26 127.83 3dm5 h ALA 167 Ca -0.29 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 3dm5 h ALA 167 Cb 1.14 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3dm5 h ALA 167 CO 0.73 -0.29 0.17 0.82 0.00 0.00 0.00 179.25 180.69 3dm5 h ILE 168 N -0.49 1.24 -0.35 0.00 1.08 -1.93 -1.46 117.51 115.59 3dm5 h ILE 168 Ca -0.00 -0.80 0.07 0.00 -0.39 0.00 0.00 64.86 63.73 3dm5 h ILE 168 Cb 0.47 0.71 -0.07 0.00 -3.07 0.00 0.00 36.82 34.86 3dm5 h ILE 168 CO 0.01 0.30 -0.08 0.11 -0.69 0.00 0.00 178.15 177.79 3dm5 h LYS 169 N 0.77 0.01 -0.28 2.37 1.57 -1.97 -1.66 116.57 117.38 3dm5 h LYS 169 Ca 0.18 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.98 3dm5 h LYS 169 Cb 0.28 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 3dm5 h LYS 169 CO -0.01 0.00 0.11 1.25 -0.57 0.00 0.00 179.45 180.24 3dm5 h LEU 170 N 0.01 0.14 -1.21 2.94 6.46 -0.79 0.28 115.31 123.13 3dm5 h LEU 170 Ca 0.17 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.92 3dm5 h LEU 170 Cb 0.26 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 3dm5 h LEU 170 CO -0.36 0.11 0.15 0.00 -0.62 0.00 0.00 178.44 177.72 3dm5 h ALA 171 N 1.16 1.37 -0.02 1.25 0.00 -0.99 -0.93 119.26 121.11 3dm5 h ALA 171 Ca 0.12 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3dm5 h ALA 171 Cb 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3dm5 h ALA 171 CO -0.11 0.46 -0.26 1.57 0.00 0.00 0.00 179.25 180.91 3dm5 h LYS 172 N 0.69 0.21 -0.81 0.00 -0.00 -0.65 -2.05 116.57 113.97 3dm5 h LYS 172 Ca 0.16 -0.20 0.12 0.00 -0.00 0.00 0.00 60.65 60.73 3dm5 h LYS 172 Cb 0.21 0.05 -0.08 0.00 -0.00 0.00 0.00 32.23 32.40 3dm5 h LYS 172 CO -0.01 0.90 0.42 0.93 -0.00 0.00 0.00 179.45 181.69 3dm5 h GLU 173 N -0.40 0.65 0.09 0.07 5.08 -0.85 -1.62 114.58 117.59 3dm5 h GLU 173 Ca -0.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3dm5 h GLU 173 Cb 0.97 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3dm5 h GLU 173 CO 0.05 0.43 -0.04 0.78 -1.00 0.00 0.00 179.01 179.23 3dm5 h GLY 174 N 0.67 -0.12 0.89 -3.84 0.00 -1.18 -0.83 103.07 98.66 3dm5 h GLY 174 Ca 0.41 0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.82 3dm5 h GLY 174 CO -0.30 -0.04 0.46 -2.08 0.00 0.00 0.00 176.54 174.58 3dm5 h VAL 175 N -0.33 1.12 -0.46 4.60 2.07 -1.10 0.45 116.25 122.60 3dm5 h VAL 175 Ca -0.01 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 3dm5 h VAL 175 Cb 0.28 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3dm5 h VAL 175 CO 0.02 0.17 0.03 0.44 0.02 0.00 0.00 177.57 178.25 3dm5 h ASP 176 N 0.91 0.77 0.87 0.57 3.32 -1.19 0.95 116.42 122.62 3dm5 h ASP 176 Ca 0.29 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3dm5 h ASP 176 Cb -0.00 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.35 3dm5 h ASP 176 CO -0.10 0.87 -0.42 0.22 -1.72 0.00 0.00 179.24 178.09 3dm5 h TYR 177 N 0.65 -1.08 -0.11 4.55 3.20 -0.57 -1.03 116.97 122.58 3dm5 h TYR 177 Ca 0.13 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.99 3dm5 h TYR 177 Cb 0.45 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 3dm5 h TYR 177 CO 0.03 -0.67 0.07 0.74 -1.64 0.00 0.00 178.16 176.69 3dm5 h PHE 178 N -1.20 0.08 -0.37 -3.82 0.04 -0.94 -0.54 116.94 110.19 3dm5 h PHE 178 Ca -0.12 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.58 3dm5 h PHE 178 Cb 0.90 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 39.00 3dm5 h PHE 178 CO 0.02 0.05 -0.06 -0.22 -0.60 0.00 0.00 178.31 177.50 3dm5 h LYS 179 N 0.09 0.61 -0.22 1.51 3.64 -0.64 -2.39 116.57 119.16 3dm5 h LYS 179 Ca 0.04 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.20 3dm5 h LYS 179 Cb 0.07 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3dm5 h LYS 179 CO -0.01 0.68 -0.13 0.77 -2.27 0.00 0.00 179.45 178.49 3dm5 h SER 180 N 0.57 0.36 0.79 4.20 0.02 0.27 -3.07 113.55 116.69 3dm5 h SER 180 Ca 0.11 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3dm5 h SER 180 Cb 0.46 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3dm5 h SER 180 CO 0.02 0.52 0.00 0.29 -1.14 0.00 0.00 176.83 176.53 3dm5 n LYS 181 N -4.23 0.04 0.00 3.45 4.76 -0.90 -4.89 118.16 116.39 3dm5 n LYS 181 Ca 0.00 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 3dm5 n LYS 181 Cb 0.30 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 3dm5 n LYS 181 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dm5 n GLY 182 N 0.68 1.21 3.80 0.72 0.00 -1.16 -5.09 105.19 105.36 3dm5 n GLY 182 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3dm5 n GLY 182 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dm5 s VAL 183 N -2.00 3.89 -0.01 1.61 -7.23 -1.25 -4.96 120.40 110.44 3dm5 s VAL 183 Ca 0.00 1.06 -0.16 0.00 -1.81 0.00 0.00 61.98 61.07 3dm5 s VAL 183 Cb 0.00 -3.46 -0.33 0.00 0.56 0.00 0.00 36.38 33.15 3dm5 s VAL 183 CO 0.00 -0.37 0.87 0.44 -0.31 0.00 0.00 175.10 175.73 3dm5 h ASP 184 N 1.17 0.70 -3.47 4.85 3.45 -1.67 -3.38 116.42 118.07 3dm5 h ASP 184 Ca -0.48 -0.93 -0.52 0.00 0.43 0.00 0.00 57.03 55.53 3dm5 h ASP 184 Cb 1.22 -0.23 -0.33 0.00 -0.56 0.00 0.00 39.33 39.43 3dm5 h ASP 184 CO 0.59 1.67 -0.82 -0.63 -1.57 0.00 0.00 179.24 178.48 3dm5 s ILE 185 N -2.55 1.16 -0.15 0.35 1.01 -0.43 -1.04 121.20 119.55 3dm5 s ILE 185 Ca -0.12 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.04 3dm5 s ILE 185 Cb 0.04 -1.05 0.00 0.00 0.01 0.00 0.00 42.46 41.46 3dm5 s ILE 185 CO 0.89 0.36 -0.18 -0.63 0.00 0.00 0.00 174.94 175.38 3dm5 s ILE 186 N 0.59 2.43 -0.20 2.92 1.01 -0.71 -0.82 121.20 126.42 3dm5 s ILE 186 Ca -0.13 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.62 3dm5 s ILE 186 Cb -0.15 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 3dm5 s ILE 186 CO 0.04 0.53 -0.01 -0.63 0.00 0.00 0.00 174.94 174.86 3dm5 s ILE 187 N 0.81 3.77 -0.23 2.92 1.01 -0.22 -0.74 121.20 128.52 3dm5 s ILE 187 Ca -0.06 -0.37 -0.05 0.00 0.00 0.00 0.00 60.65 60.17 3dm5 s ILE 187 Cb -0.15 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.59 3dm5 s ILE 187 CO -0.01 0.43 0.00 -0.69 0.00 0.00 0.00 174.94 174.67 3dm5 s VAL 188 N 1.10 3.74 -0.50 2.92 1.01 0.47 -0.68 120.40 128.47 3dm5 s VAL 188 Ca 0.02 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 3dm5 s VAL 188 Cb -0.14 -2.73 0.10 0.00 0.00 0.00 0.00 36.38 33.61 3dm5 s VAL 188 CO 0.01 0.39 0.42 -0.62 0.00 0.00 0.00 175.10 175.30 3dm5 s ASP 189 N 1.53 6.10 0.81 3.32 2.15 -0.06 -0.05 116.67 130.47 3dm5 s ASP 189 Ca 0.06 -1.56 -0.08 0.00 0.43 0.00 0.00 52.55 51.40 3dm5 s ASP 189 Cb -0.15 -2.17 0.13 0.00 -0.30 0.00 0.00 42.92 40.44 3dm5 s ASP 189 CO -0.01 -0.73 1.13 0.42 -0.17 0.00 0.00 175.17 175.81 3dm5 s THR 190 N 1.59 2.13 0.13 1.71 -4.23 -1.02 -0.57 115.64 115.38 3dm5 s THR 190 Ca 0.04 -0.26 -0.30 0.00 -1.18 0.00 0.00 61.69 59.98 3dm5 s THR 190 Cb -0.27 -2.86 -0.07 0.00 1.34 0.00 0.00 72.50 70.64 3dm5 s THR 190 CO 0.04 0.00 1.15 0.00 -0.54 0.00 0.00 174.62 175.27 3dm5 s ALA 191 N -3.46 3.38 1.06 3.99 0.00 -1.24 -4.36 121.76 121.12 3dm5 s ALA 191 Ca 0.67 0.84 -0.18 0.00 0.00 0.00 0.00 51.96 53.30 3dm5 s ALA 191 Cb -0.07 -3.40 0.24 0.00 0.00 0.00 0.00 23.12 19.90 3dm5 s ALA 191 CO 0.48 -0.32 1.28 0.20 0.00 0.00 0.00 175.76 177.39 3dm5 s GLY 192 N 0.40 1.75 0.33 0.00 0.00 -1.26 -4.77 107.32 103.78 3dm5 s GLY 192 Ca 0.53 -1.22 -0.00 0.00 0.00 0.00 0.00 44.72 44.03 3dm5 s GLY 192 CO 0.33 -0.37 0.42 0.50 0.00 0.00 0.00 173.10 173.97 3dm5 s ARG 193 N -5.81 1.85 -0.01 2.90 0.52 -1.26 -4.79 118.95 112.34 3dm5 s ARG 193 Ca 0.75 -1.81 -0.25 0.00 -0.52 0.00 0.00 55.73 53.89 3dm5 s ARG 193 Cb -0.04 0.41 -0.19 0.00 0.52 0.00 0.00 34.95 35.65 3dm5 s ARG 193 CO 0.54 -0.74 1.27 0.45 0.02 0.00 0.00 175.30 176.84 3dm5 h HIS 194 N 2.13 -0.07 -1.67 -0.53 3.86 -1.95 -0.33 115.15 116.59 3dm5 h HIS 194 Ca -0.28 -0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.33 3dm5 h HIS 194 Cb 1.24 0.02 -0.13 0.00 1.06 0.00 0.00 27.41 29.60 3dm5 h HIS 194 CO 1.50 0.36 -0.55 -1.59 0.86 0.00 0.00 177.93 178.51 3dm5 s LYS 195 N -4.39 1.98 -1.28 2.45 -2.85 -1.26 -4.47 119.74 109.91 3dm5 s LYS 195 Ca -0.15 -2.19 -0.10 0.00 -1.00 0.00 0.00 55.97 52.52 3dm5 s LYS 195 Cb 0.02 -1.20 0.16 0.00 -2.06 0.00 0.00 37.83 34.75 3dm5 s LYS 195 CO 0.64 -0.29 1.86 -1.91 0.10 0.00 0.00 175.35 175.74 3dm5 n GLU 196 N -1.01 3.56 -2.71 1.78 2.13 -1.26 -4.79 120.64 118.34 3dm5 n GLU 196 Ca -0.10 -3.51 -0.23 0.00 0.66 0.00 0.00 57.16 53.99 3dm5 n GLU 196 Cb 0.66 -2.96 0.11 0.00 0.27 0.00 0.00 31.44 29.52 3dm5 n GLU 196 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 3dm5 s ASP 197 N 1.17 4.41 0.32 4.31 1.47 -1.26 -4.91 116.67 122.17 3dm5 s ASP 197 Ca 0.40 -0.57 0.04 0.00 1.18 0.00 0.00 52.55 53.60 3dm5 s ASP 197 Cb 0.09 0.22 0.64 0.00 -0.34 0.00 0.00 42.92 43.52 3dm5 s ASP 197 CO -0.00 -1.83 1.88 0.11 0.68 0.00 0.00 175.17 176.01 3dm5 h LYS 198 N -0.42 0.88 -0.39 2.11 1.57 -2.00 -1.53 116.57 116.79 3dm5 h LYS 198 Ca -0.33 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.47 3dm5 h LYS 198 Cb 1.27 -0.20 -0.08 0.00 0.08 0.00 0.00 32.23 33.30 3dm5 h LYS 198 CO 0.38 0.58 -0.12 0.00 -0.57 0.00 0.00 179.45 179.72 3dm5 h ALA 199 N 1.55 0.22 -0.57 3.86 0.00 -1.95 -0.66 119.26 121.70 3dm5 h ALA 199 Ca 0.44 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.48 3dm5 h ALA 199 Cb 0.45 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3dm5 h ALA 199 CO -0.20 -0.48 0.30 1.25 0.00 0.00 0.00 179.25 180.12 3dm5 h LEU 200 N -0.04 0.72 -0.45 0.00 6.46 -1.59 0.15 115.31 120.55 3dm5 h LEU 200 Ca 0.19 -0.10 -0.17 0.00 -0.12 0.00 0.00 57.88 57.68 3dm5 h LEU 200 Cb 0.33 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.07 3dm5 h LEU 200 CO -0.42 0.61 -0.55 0.16 -0.62 0.00 0.00 178.44 177.63 3dm5 h ILE 201 N 0.76 1.31 -0.36 4.05 3.07 -1.23 -1.95 117.51 123.16 3dm5 h ILE 201 Ca 0.20 -1.77 -0.01 0.00 1.55 0.00 0.00 64.86 64.82 3dm5 h ILE 201 Cb 0.06 1.72 -0.02 0.00 -0.27 0.00 0.00 36.82 38.32 3dm5 h ILE 201 CO -0.03 0.56 0.17 -0.08 -1.05 0.00 0.00 178.15 177.72 3dm5 h GLU 202 N 0.50 0.53 0.00 0.16 4.57 -0.87 -1.05 114.58 118.42 3dm5 h GLU 202 Ca 0.01 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3dm5 h GLU 202 Cb 1.11 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.60 3dm5 h GLU 202 CO 0.11 0.48 -0.10 0.93 -1.18 0.00 0.00 179.01 179.25 3dm5 h GLU 203 N 0.45 0.00 0.07 1.92 3.07 -0.85 -1.27 114.58 117.97 3dm5 h GLU 203 Ca 0.12 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.73 3dm5 h GLU 203 Cb 0.13 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.05 3dm5 h GLU 203 CO -0.01 0.10 -1.10 0.00 -1.40 0.00 0.00 179.01 176.59 3dm5 h MET 204 N 0.00 0.37 -0.57 2.33 -0.00 -0.69 -2.02 114.93 114.36 3dm5 h MET 204 Ca -0.00 -0.50 -0.01 0.00 -0.00 0.00 0.00 59.70 59.19 3dm5 h MET 204 Cb 0.19 0.16 -0.03 0.00 -0.00 0.00 0.00 31.60 31.93 3dm5 h MET 204 CO 0.01 1.18 0.32 0.87 -0.00 0.00 0.00 176.91 179.29 3dm5 h LYS 205 N 0.17 0.79 0.42 -0.10 1.57 -0.62 0.41 116.57 119.19 3dm5 h LYS 205 Ca -0.12 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 3dm5 h LYS 205 Cb 1.78 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.94 3dm5 h LYS 205 CO 0.19 0.59 -0.20 1.96 -0.57 0.00 0.00 179.45 181.42 3dm5 h GLN 206 N 0.76 -0.54 -0.76 3.15 4.20 -1.28 -1.57 115.11 119.07 3dm5 h GLN 206 Ca 0.20 0.04 0.06 0.00 0.06 0.00 0.00 58.65 59.00 3dm5 h GLN 206 Cb 0.03 0.12 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 3dm5 h GLN 206 CO -0.03 -0.29 0.50 0.82 -0.67 0.00 0.00 178.83 179.16 3dm5 h ILE 207 N -0.69 1.06 -0.13 2.54 2.04 -1.30 -1.86 117.51 119.16 3dm5 h ILE 207 Ca -0.06 -0.29 -0.09 0.00 1.00 0.00 0.00 64.86 65.42 3dm5 h ILE 207 Cb 0.50 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3dm5 h ILE 207 CO 0.09 0.15 -0.33 -1.28 0.00 0.00 0.00 178.15 176.79 3dm5 h SER 208 N 0.85 0.26 -0.15 1.72 0.87 -0.82 -1.62 113.55 114.65 3dm5 h SER 208 Ca 0.32 -0.09 -0.21 0.00 -1.23 0.00 0.00 61.79 60.58 3dm5 h SER 208 Cb 0.19 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3dm5 h SER 208 CO -0.11 0.58 -0.73 0.78 -0.53 0.00 0.00 176.83 176.83 3dm5 h ASN 209 N 0.23 0.91 -0.23 6.23 -0.26 -0.51 -1.12 115.58 120.82 3dm5 h ASN 209 Ca 0.03 -0.63 -0.05 0.00 -0.56 0.00 0.00 56.30 55.10 3dm5 h ASN 209 Cb 0.70 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 3dm5 h ASN 209 CO 0.05 1.39 -0.03 0.58 -1.06 0.00 0.00 177.43 178.36 3dm5 h VAL 210 N 0.49 1.27 0.00 2.81 2.07 -1.31 -3.35 116.25 118.22 3dm5 h VAL 210 Ca -0.05 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 3dm5 h VAL 210 Cb 1.36 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.58 3dm5 h VAL 210 CO 0.15 0.31 -1.58 2.30 0.02 0.00 0.00 177.57 178.77 3dm5 n ILE 211 N -4.61 0.31 -3.03 4.57 -5.35 -0.62 -5.01 119.36 105.62 3dm5 n ILE 211 Ca -0.04 -0.53 -0.13 0.00 -0.27 0.00 0.00 62.75 61.78 3dm5 n ILE 211 Cb 0.27 -0.17 0.06 0.00 -1.74 0.00 0.00 39.64 38.07 3dm5 n ILE 211 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 3dm5 n HIS 212 N -2.46 -1.99 -1.55 4.28 -0.00 -0.43 -4.94 115.22 108.13 3dm5 n HIS 212 Ca -0.03 0.74 -0.32 0.00 0.46 0.00 0.00 57.72 58.57 3dm5 n HIS 212 Cb 0.58 -4.07 0.06 0.00 -0.12 0.00 0.00 29.99 26.44 3dm5 n HIS 212 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 3dm5 s PRO 213 N -4.44 2.65 0.39 1.57 0.05 -1.26 -4.93 135.00 129.03 3dm5 s PRO 213 Ca 0.27 1.21 0.11 0.00 0.05 0.00 0.00 61.00 62.65 3dm5 s PRO 213 Cb -0.04 -1.94 0.78 0.00 0.05 0.00 0.00 34.50 33.35 3dm5 s PRO 213 CO 0.61 -1.35 1.89 1.25 0.05 0.00 0.00 177.00 179.46 3dm5 h HIS 214 N -0.52 0.14 -2.40 0.56 -0.00 -0.92 -3.46 115.15 108.55 3dm5 h HIS 214 Ca -0.45 -0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 59.82 3dm5 h HIS 214 Cb 1.23 -0.04 -0.21 0.00 -0.00 0.00 0.00 27.41 28.40 3dm5 h HIS 214 CO 0.57 0.36 -0.02 -2.00 -0.00 0.00 0.00 177.93 176.84 3dm5 s GLU 215 N -4.51 0.81 -0.17 5.26 2.12 -0.99 -4.99 118.70 116.23 3dm5 s GLU 215 Ca -0.04 0.35 -0.01 0.00 0.36 0.00 0.00 54.97 55.63 3dm5 s GLU 215 Cb 0.15 0.38 -0.01 0.00 0.26 0.00 0.00 34.13 34.91 3dm5 s GLU 215 CO 0.73 -0.20 -0.11 0.08 -0.54 0.00 0.00 175.26 175.22 3dm5 s VAL 216 N -0.65 3.01 -0.22 3.70 1.01 -0.15 -0.65 120.40 126.46 3dm5 s VAL 216 Ca -0.07 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.27 3dm5 s VAL 216 Cb -0.03 -2.30 0.03 0.00 0.00 0.00 0.00 36.38 34.08 3dm5 s VAL 216 CO 0.05 0.49 -0.15 -0.63 0.00 0.00 0.00 175.10 174.86 3dm5 s ILE 217 N 0.87 2.20 -0.12 2.22 1.01 0.15 -0.81 121.20 126.72 3dm5 s ILE 217 Ca -0.03 -1.19 -0.19 0.00 0.00 0.00 0.00 60.65 59.23 3dm5 s ILE 217 Cb -0.15 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 3dm5 s ILE 217 CO 0.00 0.30 0.53 -0.22 0.00 0.00 0.00 174.94 175.55 3dm5 s LEU 218 N 1.23 4.27 -0.35 2.97 2.96 -0.34 -1.02 118.68 128.40 3dm5 s LEU 218 Ca -0.00 0.88 -0.13 0.00 -0.22 0.00 0.00 54.13 54.66 3dm5 s LEU 218 Cb -0.16 -2.78 -0.00 0.00 0.50 0.00 0.00 46.19 43.75 3dm5 s LEU 218 CO -0.09 -0.05 0.23 -0.69 -1.32 0.00 0.00 176.35 174.44 3dm5 s VAL 219 N 0.79 5.09 -0.13 1.68 1.01 -0.36 -1.14 120.40 127.33 3dm5 s VAL 219 Ca 0.28 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 3dm5 s VAL 219 Cb -0.16 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 3dm5 s VAL 219 CO 0.12 -0.08 -0.07 -0.63 0.00 0.00 0.00 175.10 174.44 3dm5 s ILE 220 N 1.68 3.64 -0.30 2.22 1.01 0.23 -4.55 121.20 125.13 3dm5 s ILE 220 Ca 0.05 -0.46 -0.29 0.00 0.00 0.00 0.00 60.65 59.96 3dm5 s ILE 220 Cb -0.18 -2.56 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 3dm5 s ILE 220 CO 0.09 0.52 1.46 -0.62 0.00 0.00 0.00 174.94 176.39 3dm5 s ASP 221 N 0.16 6.46 0.00 3.58 -1.08 -1.26 -0.10 116.67 124.44 3dm5 s ASP 221 Ca -0.03 1.27 0.22 0.00 -0.52 0.00 0.00 52.55 53.49 3dm5 s ASP 221 Cb -0.14 -2.54 1.15 0.00 -1.46 0.00 0.00 42.92 39.93 3dm5 s ASP 221 CO 0.03 -1.25 1.72 0.61 0.52 0.00 0.00 175.17 176.80 3dm5 n GLY 222 N 4.65 -0.97 0.01 2.66 0.00 -0.03 -2.52 105.19 108.99 3dm5 n GLY 222 Ca 0.17 -0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.23 3dm5 n GLY 222 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dm5 n THR 223 N -1.25 0.00 1.41 2.61 -2.24 -1.26 -2.69 114.28 110.87 3dm5 n THR 223 Ca 0.11 -0.01 0.15 0.00 -2.27 0.00 0.00 64.05 62.03 3dm5 n THR 223 Cb 0.16 -0.46 0.75 0.00 -2.10 0.00 0.00 70.33 68.68 3dm5 n THR 223 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3dm5 n ILE 224 N -1.16 0.00 -2.01 2.28 -5.35 -1.05 -4.84 119.36 107.23 3dm5 n ILE 224 Ca 0.17 -0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.65 3dm5 n ILE 224 Cb 0.21 -0.48 0.00 0.00 -1.74 0.00 0.00 39.64 37.63 3dm5 n ILE 224 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dm5 n GLY 225 N 1.29 3.29 0.00 3.28 0.00 -1.09 -2.71 105.19 109.25 3dm5 n GLY 225 Ca 0.14 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 46.04 3dm5 n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dm5 n GLN 226 N 14.00 0.11 0.00 1.61 10.64 -1.22 -2.23 117.38 140.28 3dm5 n GLN 226 Ca 0.00 0.16 0.06 0.00 -1.83 0.00 0.00 57.00 55.39 3dm5 n GLN 226 Cb 0.00 -1.50 0.28 0.00 -0.86 0.00 0.00 30.24 28.16 3dm5 n GLN 226 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 3dm5 n GLN 227 N -1.41 0.04 0.25 2.61 6.02 -1.10 -2.54 117.38 121.25 3dm5 n GLN 227 Ca 0.06 0.26 0.13 0.00 -0.01 0.00 0.00 57.00 57.44 3dm5 n GLN 227 Cb 0.19 -1.50 0.63 0.00 1.02 0.00 0.00 30.24 30.57 3dm5 n GLN 227 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dm5 h ALA 228 N 2.46 1.12 0.20 -1.58 0.00 -1.67 -3.31 119.26 116.48 3dm5 h ALA 228 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3dm5 h ALA 228 Cb 0.19 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3dm5 h ALA 228 CO 0.00 0.18 -0.53 -0.92 0.00 0.00 0.00 179.25 177.99 3dm5 h TYR 229 N 0.00 -1.52 -0.30 0.00 3.20 -1.72 0.29 116.97 116.91 3dm5 h TYR 229 Ca -0.00 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 3dm5 h TYR 229 Cb 0.52 0.64 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 3dm5 h TYR 229 CO 0.00 -0.62 -0.02 -0.91 -1.64 0.00 0.00 178.16 174.97 3dm5 h ASN 230 N -0.81 0.44 -0.28 -2.11 2.35 -1.83 0.64 115.58 113.99 3dm5 h ASN 230 Ca -0.02 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.60 3dm5 h ASN 230 Cb 0.79 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 3dm5 h ASN 230 CO -0.25 0.52 -0.02 1.56 -1.65 0.00 0.00 177.43 177.59 3dm5 h GLN 231 N 0.45 0.51 -0.55 0.81 4.20 -1.63 -1.27 115.11 117.63 3dm5 h GLN 231 Ca 0.10 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 3dm5 h GLN 231 Cb 0.33 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3dm5 h GLN 231 CO 0.01 0.69 0.13 0.00 -0.67 0.00 0.00 178.83 178.99 3dm5 h ALA 232 N 0.81 0.73 -0.13 3.87 0.00 -0.49 -2.72 119.26 121.32 3dm5 h ALA 232 Ca 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3dm5 h ALA 232 Cb 0.47 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3dm5 h ALA 232 CO 0.02 0.43 0.03 1.25 0.00 0.00 0.00 179.25 180.98 3dm5 h LEU 233 N 0.78 0.20 -0.25 0.00 6.46 -0.82 0.16 115.31 121.84 3dm5 h LEU 233 Ca 0.17 -0.23 0.01 0.00 -0.12 0.00 0.00 57.88 57.71 3dm5 h LEU 233 Cb 0.34 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 3dm5 h LEU 233 CO 0.00 0.37 0.15 0.00 -0.62 0.00 0.00 178.44 178.35 3dm5 h ALA 234 N 0.83 0.31 0.18 1.25 0.00 -1.23 -2.30 119.26 118.30 3dm5 h ALA 234 Ca 0.04 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3dm5 h ALA 234 Cb 0.25 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3dm5 h ALA 234 CO 0.00 -0.23 -0.30 0.35 0.00 0.00 0.00 179.25 179.07 3dm5 h PHE 235 N 0.32 -0.82 0.00 0.00 3.57 -1.37 -2.45 116.94 116.19 3dm5 h PHE 235 Ca 0.09 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3dm5 h PHE 235 Cb -0.02 0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.05 3dm5 h PHE 235 CO -0.07 -0.42 0.17 -0.22 -2.23 0.00 0.00 178.31 175.54 3dm5 h LYS 236 N -0.56 0.00 0.00 1.11 3.64 -0.44 0.15 116.57 120.47 3dm5 h LYS 236 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3dm5 h LYS 236 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3dm5 h LYS 236 CO -0.14 0.00 -1.13 0.39 -2.27 0.00 0.00 179.45 176.30 3dm5 n GLU 237 N -2.94 0.53 -0.21 1.90 1.02 -0.89 -4.04 120.64 116.01 3dm5 n GLU 237 Ca -0.02 0.05 0.10 0.00 -0.02 0.00 0.00 57.16 57.26 3dm5 n GLU 237 Cb 0.23 -1.73 0.26 0.00 -0.02 0.00 0.00 31.44 30.18 3dm5 n GLU 237 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dm5 n ALA 238 N -2.10 2.44 -3.63 0.62 0.00 0.52 -4.89 120.51 113.47 3dm5 n ALA 238 Ca -0.00 -0.87 -0.05 0.00 0.00 0.00 0.00 53.44 52.53 3dm5 n ALA 238 Cb 0.52 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.94 3dm5 n ALA 238 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3dm5 s THR 239 N -1.44 -0.10 -1.29 0.00 -1.32 -1.16 -4.82 115.64 105.51 3dm5 s THR 239 Ca 0.36 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 61.13 3dm5 s THR 239 Cb 0.19 -1.00 0.40 0.00 -1.51 0.00 0.00 72.50 70.58 3dm5 s THR 239 CO 0.27 0.00 1.96 -0.81 -2.21 0.00 0.00 174.62 173.83 3dm5 n PRO 240 N 4.25 0.30 -2.33 7.08 -0.04 -1.26 -3.92 135.00 139.07 3dm5 n PRO 240 Ca -0.18 -0.03 -0.22 0.00 -0.04 0.00 0.00 63.50 63.03 3dm5 n PRO 240 Cb 0.57 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 3dm5 n PRO 240 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3dm5 n ILE 241 N -1.33 2.24 -3.84 0.52 -5.35 -1.26 -5.08 119.36 105.26 3dm5 n ILE 241 Ca 0.11 -4.32 -0.35 0.00 -0.27 0.00 0.00 62.75 57.92 3dm5 n ILE 241 Cb 0.28 -0.85 -0.05 0.00 -1.74 0.00 0.00 39.64 37.28 3dm5 n ILE 241 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3dm5 s GLY 242 N -3.55 2.20 0.35 3.28 0.00 -1.25 -0.97 107.32 107.37 3dm5 s GLY 242 Ca 0.46 -0.65 0.07 0.00 0.00 0.00 0.00 44.72 44.59 3dm5 s GLY 242 CO -0.06 -0.47 0.26 -1.35 0.00 0.00 0.00 173.10 171.47 3dm5 s SER 243 N -1.59 1.92 -0.01 1.64 1.04 0.01 -4.50 113.70 112.21 3dm5 s SER 243 Ca 0.24 -1.76 0.02 0.00 0.48 0.00 0.00 55.95 54.93 3dm5 s SER 243 Cb -0.13 0.57 -0.00 0.00 0.10 0.00 0.00 66.02 66.56 3dm5 s SER 243 CO 0.14 -1.05 -0.07 -0.63 0.98 0.00 0.00 173.24 172.61 3dm5 s ILE 244 N -3.39 0.56 -0.12 -1.02 -1.09 0.24 -1.19 121.20 115.19 3dm5 s ILE 244 Ca 0.37 -0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 3dm5 s ILE 244 Cb 0.02 -0.49 -0.02 0.00 -1.58 0.00 0.00 42.46 40.40 3dm5 s ILE 244 CO 0.26 0.17 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.37 3dm5 s ILE 245 N 0.02 3.04 -0.24 2.92 1.01 -0.29 -1.35 121.20 126.31 3dm5 s ILE 245 Ca 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 3dm5 s ILE 245 Cb -0.05 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 3dm5 s ILE 245 CO -0.00 0.53 0.08 -0.69 0.00 0.00 0.00 174.94 174.86 3dm5 s VAL 246 N 0.25 4.48 0.41 2.92 1.01 -1.07 -0.60 120.40 127.80 3dm5 s VAL 246 Ca -0.09 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 61.85 3dm5 s VAL 246 Cb -0.15 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 3dm5 s VAL 246 CO 0.05 0.36 0.51 0.42 0.00 0.00 0.00 175.10 176.44 3dm5 s THR 247 N 1.34 2.99 -1.37 3.92 -4.23 0.86 -0.08 115.64 119.08 3dm5 s THR 247 Ca 0.05 -1.10 -0.09 0.00 -1.18 0.00 0.00 61.69 59.37 3dm5 s THR 247 Cb -0.15 -3.03 0.01 0.00 1.34 0.00 0.00 72.50 70.68 3dm5 s THR 247 CO 0.04 -0.01 1.18 0.29 -0.54 0.00 0.00 174.62 175.57 3dm5 n LYS 248 N -1.75 -7.89 0.22 3.99 5.02 -1.12 -0.85 118.16 115.79 3dm5 n LYS 248 Ca 0.06 0.82 0.11 0.00 -2.02 0.00 0.00 58.31 57.28 3dm5 n LYS 248 Cb 0.60 -5.87 0.28 0.00 -0.02 0.00 0.00 35.03 30.02 3dm5 n LYS 248 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3dm5 h LEU 249 N -2.69 0.00 -9.21 -0.35 3.38 -1.70 -3.40 115.31 101.34 3dm5 h LEU 249 Ca -0.57 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 56.85 3dm5 h LEU 249 Cb 1.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 3dm5 h LEU 249 CO 0.57 0.12 1.17 1.51 0.09 0.00 0.00 178.44 181.89 3dm5 s ASP 250 N -6.15 6.45 0.00 -0.43 -4.77 -1.26 -2.77 116.67 107.73 3dm5 s ASP 250 Ca 0.04 2.18 0.00 0.00 -3.30 0.00 0.00 52.55 51.47 3dm5 s ASP 250 Cb 0.07 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.37 3dm5 s ASP 250 CO 0.65 -1.12 0.00 0.61 0.70 0.00 0.00 175.17 176.02 3dm5 n GLY 251 N 4.48 2.69 3.74 2.12 0.00 -1.26 -4.57 105.19 112.39 3dm5 n GLY 251 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3dm5 n GLY 251 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dm5 s SER 252 N -0.96 6.79 0.33 1.61 1.04 -1.12 -4.88 113.70 116.52 3dm5 s SER 252 Ca 0.00 2.52 0.26 0.00 0.48 0.00 0.00 55.95 59.22 3dm5 s SER 252 Cb 0.00 -2.62 1.04 0.00 0.10 0.00 0.00 66.02 64.54 3dm5 s SER 252 CO 0.00 -0.59 1.78 0.00 0.98 0.00 0.00 173.24 175.41 3dm5 h ALA 253 N 5.11 1.00 -0.00 5.32 0.00 -1.93 -3.34 119.26 125.43 3dm5 h ALA 253 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3dm5 h ALA 253 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3dm5 h ALA 253 CO 0.77 0.00 -0.10 1.63 0.00 0.00 0.00 179.25 181.55 3dm5 n LYS 254 N -2.48 3.04 -0.24 0.00 5.02 -1.26 -4.16 118.16 118.08 3dm5 n LYS 254 Ca 0.02 -0.33 0.19 0.00 -2.02 0.00 0.00 58.31 56.17 3dm5 n LYS 254 Cb 0.28 -0.86 0.51 0.00 -0.02 0.00 0.00 35.03 34.94 3dm5 n LYS 254 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3dm5 h GLY 255 N 0.88 0.87 0.74 0.72 0.00 -1.66 -0.16 103.07 104.46 3dm5 h GLY 255 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 47.33 47.18 3dm5 h GLY 255 CO 0.00 -0.00 0.22 -1.33 0.00 0.00 0.00 176.54 175.42 3dm5 h GLY 256 N 0.41 0.62 1.64 4.60 0.00 -1.82 -0.46 103.07 108.05 3dm5 h GLY 256 Ca 0.47 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3dm5 h GLY 256 CO -0.18 0.09 0.24 -1.33 0.00 0.00 0.00 176.54 175.37 3dm5 h GLY 257 N 0.43 0.52 0.51 4.60 0.00 0.66 -1.55 103.07 108.24 3dm5 h GLY 257 Ca 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3dm5 h GLY 257 CO -0.15 0.19 -0.04 0.00 0.00 0.00 0.00 176.54 176.55 3dm5 h ALA 258 N 1.77 0.04 -0.02 3.60 0.00 -0.93 -2.03 119.26 121.68 3dm5 h ALA 258 Ca 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3dm5 h ALA 258 Cb -0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3dm5 h ALA 258 CO -0.03 -0.16 0.01 -0.07 0.00 0.00 0.00 179.25 179.00 3dm5 h LEU 259 N -0.45 0.02 -1.33 0.00 3.38 -0.97 0.28 115.31 116.24 3dm5 h LEU 259 Ca 0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3dm5 h LEU 259 Cb 0.58 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3dm5 h LEU 259 CO 0.01 0.04 0.14 0.77 0.09 0.00 0.00 178.44 179.49 3dm5 h SER 260 N 0.01 0.55 0.00 -0.43 4.64 -1.39 0.35 113.55 117.28 3dm5 h SER 260 Ca 0.01 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3dm5 h SER 260 Cb 0.02 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3dm5 h SER 260 CO -0.00 0.52 -0.00 0.00 -0.87 0.00 0.00 176.83 176.47 3dm5 h ALA 261 N 1.57 -0.00 -0.74 5.18 0.00 -0.86 -1.77 119.26 122.64 3dm5 h ALA 261 Ca 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3dm5 h ALA 261 Cb 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3dm5 h ALA 261 CO -0.01 -0.32 0.29 0.28 0.00 0.00 0.00 179.25 179.49 3dm5 h VAL 262 N -0.36 1.25 0.00 0.00 2.07 -0.76 -2.58 116.25 115.87 3dm5 h VAL 262 Ca -0.00 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 3dm5 h VAL 262 Cb 0.36 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3dm5 h VAL 262 CO 0.00 0.32 -0.25 0.00 0.02 0.00 0.00 177.57 177.65 3dm5 h ALA 263 N 1.25 1.09 0.00 1.67 0.00 -0.86 -1.56 119.26 120.85 3dm5 h ALA 263 Ca 0.25 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dm5 h ALA 263 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3dm5 h ALA 263 CO -0.02 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.54 3dm5 n ALA 264 N -2.27 1.79 0.05 0.00 0.00 -0.67 -2.50 120.51 116.90 3dm5 n ALA 264 Ca -0.01 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.49 3dm5 n ALA 264 Cb 0.41 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.46 3dm5 n ALA 264 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3dm5 n THR 265 N -1.76 0.68 0.00 0.00 -1.04 -0.59 -4.96 114.28 106.61 3dm5 n THR 265 Ca 0.04 -0.60 0.00 0.00 -2.04 0.00 0.00 64.05 61.45 3dm5 n THR 265 Cb 0.23 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 3dm5 n THR 265 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dm5 n GLY 266 N 1.29 3.00 3.77 3.41 0.00 -1.04 -4.97 105.19 110.65 3dm5 n GLY 266 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3dm5 n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dm5 n ALA 267 N -0.34 2.50 -2.62 4.61 0.00 -1.26 -4.92 120.51 118.48 3dm5 n ALA 267 Ca 0.00 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.36 3dm5 n ALA 267 Cb 0.00 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 16.98 3dm5 n ALA 267 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3dm5 s PRO 268 N -1.67 4.42 -0.25 0.00 0.05 -1.26 -4.61 135.00 131.68 3dm5 s PRO 268 Ca 0.56 1.48 -0.20 0.00 0.05 0.00 0.00 61.00 62.89 3dm5 s PRO 268 Cb -0.47 -3.53 -0.02 0.00 0.05 0.00 0.00 34.50 30.52 3dm5 s PRO 268 CO 0.60 -0.32 0.60 0.42 0.05 0.00 0.00 177.00 178.35 3dm5 s ILE 269 N 1.92 5.01 -0.21 0.56 1.01 -1.26 -0.59 121.20 127.64 3dm5 s ILE 269 Ca 0.51 1.07 0.09 0.00 0.00 0.00 0.00 60.65 62.33 3dm5 s ILE 269 Cb -0.21 -3.91 -0.20 0.00 0.01 0.00 0.00 42.46 38.16 3dm5 s ILE 269 CO 0.20 0.05 -0.07 0.29 0.00 0.00 0.00 174.94 175.41 3dm5 n LYS 270 N 5.60 0.77 -4.11 2.79 4.76 -0.46 -4.63 118.16 122.88 3dm5 n LYS 270 Ca -0.02 0.06 -0.09 0.00 -2.87 0.00 0.00 58.31 55.40 3dm5 n LYS 270 Cb 0.49 -1.48 -0.10 0.00 -1.84 0.00 0.00 35.03 32.10 3dm5 n LYS 270 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3dm5 s PHE 271 N -2.47 0.69 0.01 2.13 0.40 -1.25 -0.66 117.98 116.83 3dm5 s PHE 271 Ca -0.21 -1.13 0.06 0.00 -0.60 0.00 0.00 56.93 55.06 3dm5 s PHE 271 Cb 0.07 -0.41 -0.02 0.00 0.51 0.00 0.00 43.02 43.17 3dm5 s PHE 271 CO 0.67 -0.48 -0.19 0.96 0.70 0.00 0.00 175.22 176.88 3dm5 s ILE 272 N -3.99 1.51 0.19 0.64 -4.36 -0.37 -2.61 121.20 112.21 3dm5 s ILE 272 Ca 0.17 -0.97 -0.16 0.00 -0.26 0.00 0.00 60.65 59.43 3dm5 s ILE 272 Cb 0.07 -1.29 -0.08 0.00 1.25 0.00 0.00 42.46 42.42 3dm5 s ILE 272 CO -0.03 0.30 0.63 -0.83 0.24 0.00 0.00 174.94 175.25 3dm5 s GLY 273 N -0.78 2.51 0.00 6.27 0.00 0.89 -1.72 107.32 114.48 3dm5 s GLY 273 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 44.72 44.78 3dm5 s GLY 273 CO 0.00 0.30 0.14 2.41 0.00 0.00 0.00 173.10 175.95 3dm5 n THR 274 N 0.67 0.00 -2.55 0.90 -1.04 0.87 -2.13 114.28 111.00 3dm5 n THR 274 Ca -0.03 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 3dm5 n THR 274 Cb 0.52 1.62 0.00 0.00 -1.82 0.00 0.00 70.33 70.65 3dm5 n THR 274 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dm5 n GLY 275 N 0.03 -1.76 0.09 3.41 0.00 -1.22 -4.48 105.19 101.26 3dm5 n GLY 275 Ca 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 46.02 44.81 3dm5 n GLY 275 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dm5 h GLU 276 N 0.00 0.00 -7.20 1.61 5.08 -1.99 -3.44 114.58 108.64 3dm5 h GLU 276 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 3dm5 h GLU 276 Cb 0.00 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.31 3dm5 h GLU 276 CO 0.00 0.72 0.38 0.15 -1.00 0.00 0.00 179.01 179.26 3dm5 s LYS 277 N -2.81 3.32 0.61 2.33 -0.14 -1.26 -4.95 119.74 116.84 3dm5 s LYS 277 Ca 0.01 1.20 0.32 0.00 -1.36 0.00 0.00 55.97 56.15 3dm5 s LYS 277 Cb 0.09 -2.03 1.86 0.00 -1.68 0.00 0.00 37.83 36.06 3dm5 s LYS 277 CO 0.79 -0.81 2.18 0.97 -0.76 0.00 0.00 175.35 177.72 3dm5 h ILE 278 N 0.43 0.35 -0.02 2.17 6.09 -1.95 -0.09 117.51 124.50 3dm5 h ILE 278 Ca -0.47 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 3dm5 h ILE 278 Cb 1.22 0.90 0.00 0.00 0.47 0.00 0.00 36.82 39.41 3dm5 h ILE 278 CO 0.57 0.00 -0.18 0.47 -3.07 0.00 0.00 178.15 175.94 3dm5 n ASP 279 N -3.60 2.04 -2.93 2.19 8.00 -1.26 -4.32 116.55 116.67 3dm5 n ASP 279 Ca -0.01 -1.55 -0.31 0.00 0.71 0.00 0.00 54.79 53.63 3dm5 n ASP 279 Cb 0.21 0.16 -0.07 0.00 -0.02 0.00 0.00 41.12 41.40 3dm5 n ASP 279 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3dm5 n ASP 280 N 0.34 7.63 -3.85 -2.24 8.00 -0.05 -4.77 116.55 121.61 3dm5 n ASP 280 Ca 0.13 -2.64 -0.12 0.00 0.71 0.00 0.00 54.79 52.87 3dm5 n ASP 280 Cb 0.46 -1.48 -0.14 0.00 -0.02 0.00 0.00 41.12 39.94 3dm5 n ASP 280 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3dm5 s ILE 281 N 1.24 -0.01 0.01 0.53 2.07 -1.26 -0.09 121.20 123.69 3dm5 s ILE 281 Ca 0.67 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.94 3dm5 s ILE 281 Cb 0.23 -0.07 -0.01 0.00 0.13 0.00 0.00 42.46 42.74 3dm5 s ILE 281 CO -0.06 0.01 -0.05 -1.83 -1.91 0.00 0.00 174.94 171.10 3dm5 s GLU 282 N 0.14 0.37 0.65 3.50 -1.05 -0.70 -4.98 118.70 116.63 3dm5 s GLU 282 Ca -0.01 -0.35 -0.16 0.00 -0.15 0.00 0.00 54.97 54.30 3dm5 s GLU 282 Cb -0.02 -0.27 -0.00 0.00 -0.44 0.00 0.00 34.13 33.41 3dm5 s GLU 282 CO -0.00 0.06 1.17 -2.14 0.95 0.00 0.00 175.26 175.30 3dm5 s PRO 283 N -0.61 2.69 -0.28 -4.83 0.02 -1.26 -1.24 135.00 129.48 3dm5 s PRO 283 Ca -0.03 1.65 -0.09 0.00 0.02 0.00 0.00 61.00 62.55 3dm5 s PRO 283 Cb -0.05 -1.91 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 3dm5 s PRO 283 CO -0.00 -1.39 0.12 0.12 -0.33 0.00 0.00 177.00 175.52 3dm5 s PHE 284 N -1.96 3.14 -0.39 6.54 5.36 0.16 -4.78 117.98 126.06 3dm5 s PHE 284 Ca 0.73 -0.43 0.01 0.00 -0.96 0.00 0.00 56.93 56.28 3dm5 s PHE 284 Cb -0.26 -2.30 0.13 0.00 -0.34 0.00 0.00 43.02 40.24 3dm5 s PHE 284 CO 0.39 -0.38 0.21 0.34 -1.46 0.00 0.00 175.22 174.31 3dm5 s ASP 285 N 1.63 3.49 0.21 6.13 -1.08 -1.26 -4.55 116.67 121.24 3dm5 s ASP 285 Ca 0.06 -2.30 -0.17 0.00 -0.52 0.00 0.00 52.55 49.61 3dm5 s ASP 285 Cb -0.16 -0.79 0.20 0.00 -1.46 0.00 0.00 42.92 40.71 3dm5 s ASP 285 CO 0.06 -0.31 1.42 -2.65 0.52 0.00 0.00 175.17 174.21 3dm5 n PRO 286 N 3.94 -0.23 -0.01 4.34 -0.02 -1.26 -1.01 135.00 140.76 3dm5 n PRO 286 Ca 0.08 1.41 0.01 0.00 -2.02 0.00 0.00 63.50 62.97 3dm5 n PRO 286 Cb 0.37 -2.09 0.32 0.00 -0.02 0.00 0.00 33.50 32.07 3dm5 n PRO 286 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3dm5 h PRO 287 N 0.00 0.55 -0.07 0.52 0.11 -1.86 0.95 132.00 132.20 3dm5 h PRO 287 Ca 0.31 -0.10 -0.25 0.00 0.11 0.00 0.00 66.00 66.07 3dm5 h PRO 287 Cb 0.54 -0.09 0.02 0.00 0.11 0.00 0.00 31.00 31.57 3dm5 h PRO 287 CO -0.91 0.53 -0.93 0.00 -0.21 0.00 0.00 178.00 176.48 3dm5 h ARG 288 N 0.54 0.74 0.07 1.05 2.47 -1.48 -2.41 114.38 115.36 3dm5 h ARG 288 Ca 0.12 -0.70 -0.00 0.00 -1.26 0.00 0.00 59.98 58.13 3dm5 h ARG 288 Cb 0.24 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.74 3dm5 h ARG 288 CO 0.00 1.29 -0.04 0.35 0.56 0.00 0.00 179.97 182.14 3dm5 h PHE 289 N 0.46 -0.09 0.00 3.04 3.57 -0.77 -1.79 116.94 121.35 3dm5 h PHE 289 Ca -0.10 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 3dm5 h PHE 289 Cb 1.57 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 40.34 3dm5 h PHE 289 CO 0.09 0.22 -0.12 0.28 -2.23 0.00 0.00 178.31 176.55 3dm5 h VAL 290 N -0.40 0.91 -0.27 1.41 2.07 -0.91 0.56 116.25 119.61 3dm5 h VAL 290 Ca -0.01 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 66.98 3dm5 h VAL 290 Cb 0.35 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3dm5 h VAL 290 CO 0.02 0.12 -0.22 -1.28 0.02 0.00 0.00 177.57 176.22 3dm5 h SER 291 N 0.00 0.66 -0.39 0.57 0.87 -1.24 -1.23 113.55 112.79 3dm5 h SER 291 Ca -0.00 -0.45 -0.05 0.00 -1.23 0.00 0.00 61.79 60.05 3dm5 h SER 291 Cb 0.23 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 3dm5 h SER 291 CO 0.02 0.98 0.05 0.03 -0.53 0.00 0.00 176.83 177.37 3dm5 h ARG 292 N 0.35 0.66 -0.39 2.24 2.47 -0.67 -1.96 114.38 117.09 3dm5 h ARG 292 Ca 0.05 -0.18 0.06 0.00 -1.26 0.00 0.00 59.98 58.64 3dm5 h ARG 292 Cb 0.77 -0.07 -0.08 0.00 -1.65 0.00 0.00 29.97 28.93 3dm5 h ARG 292 CO 0.06 0.72 -0.50 1.25 0.56 0.00 0.00 179.97 182.05 3dm5 h LEU 293 N 0.50 -1.68 0.00 3.04 5.85 -0.87 -2.03 115.31 120.13 3dm5 h LEU 293 Ca 0.12 0.23 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3dm5 h LEU 293 Cb 0.39 0.70 0.00 0.00 0.37 0.00 0.00 40.66 42.12 3dm5 h LEU 293 CO 0.01 -0.40 0.00 0.18 -0.34 0.00 0.00 178.44 177.89 3dm5 n LEU 294 N -5.40 0.00 -0.52 2.25 4.77 -0.47 -4.55 117.00 113.08 3dm5 n LEU 294 Ca -0.02 0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 3dm5 n LEU 294 Cb 0.35 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 3dm5 n LEU 294 CO 0.03 -0.00 -0.06 0.61 -1.33 0.00 0.00 177.39 176.63 3dm5 n GLY 295 N 0.71 0.55 3.81 -0.72 0.00 -0.76 -4.34 105.19 104.43 3dm5 n GLY 295 Ca 0.20 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 3dm5 n GLY 295 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dm5 s LEU 296 N -1.42 3.93 -1.42 0.99 1.43 -0.76 -3.97 118.68 117.45 3dm5 s LEU 296 Ca 0.00 1.82 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 3dm5 s LEU 296 Cb 0.00 -4.51 0.00 0.00 0.03 0.00 0.00 46.19 41.71 3dm5 s LEU 296 CO 0.00 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 176.64 3dm5 n GLY 297 N -0.36 -0.10 2.45 -3.19 0.00 -1.26 -4.75 105.19 97.99 3dm5 n GLY 297 Ca 0.08 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 3dm5 n GLY 297 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dm5 n ASP 298 N -1.04 7.12 0.04 1.61 2.03 -1.26 -4.59 116.55 120.47 3dm5 n ASP 298 Ca -0.19 -2.66 0.01 0.00 0.52 0.00 0.00 54.79 52.47 3dm5 n ASP 298 Cb 0.63 -1.59 0.34 0.00 -0.72 0.00 0.00 41.12 39.79 3dm5 n ASP 298 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3dm5 h ILE 299 N 3.34 1.18 -0.03 5.18 1.08 -1.95 -2.54 117.51 123.77 3dm5 h ILE 299 Ca 0.77 -0.72 0.01 0.00 -0.39 0.00 0.00 64.86 64.54 3dm5 h ILE 299 Cb 0.40 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 3dm5 h ILE 299 CO 1.82 0.24 -0.04 -0.61 -0.69 0.00 0.00 178.15 178.87 3dm5 h GLN 300 N 0.41 -0.06 -0.72 2.37 5.75 -2.00 -1.88 115.11 118.98 3dm5 h GLN 300 Ca 0.09 0.00 0.11 0.00 -0.15 0.00 0.00 58.65 58.71 3dm5 h GLN 300 Cb 0.31 0.01 -0.08 0.00 1.07 0.00 0.00 27.48 28.79 3dm5 h GLN 300 CO 0.01 -0.04 0.33 0.78 -2.65 0.00 0.00 178.83 177.26 3dm5 h GLY 301 N -0.06 1.09 1.27 2.39 0.00 -1.85 -0.03 103.07 105.88 3dm5 h GLY 301 Ca 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 3dm5 h GLY 301 CO -0.07 -0.01 0.37 -2.00 0.00 0.00 0.00 176.54 174.83 3dm5 h LEU 302 N 0.53 0.86 -0.31 3.11 5.85 -1.17 -1.85 115.31 122.32 3dm5 h LEU 302 Ca 0.38 -0.07 -0.19 0.00 0.84 0.00 0.00 57.88 58.83 3dm5 h LEU 302 Cb 0.48 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3dm5 h LEU 302 CO -0.33 0.70 -0.67 0.25 -0.34 0.00 0.00 178.44 178.05 3dm5 h LEU 303 N 0.96 0.80 -1.03 2.25 5.85 -0.33 -2.38 115.31 121.43 3dm5 h LEU 303 Ca 0.24 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.49 3dm5 h LEU 303 Cb 0.04 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 3dm5 h LEU 303 CO -0.04 1.25 0.64 -0.33 -0.34 0.00 0.00 178.44 179.62 3dm5 h GLU 304 N 0.50 1.28 -0.44 1.25 4.39 -0.68 0.05 114.58 120.94 3dm5 h GLU 304 Ca -0.02 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 3dm5 h GLU 304 Cb 1.27 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 29.61 3dm5 h GLU 304 CO 0.13 0.85 0.10 -0.22 -1.16 0.00 0.00 179.01 178.72 3dm5 h LYS 305 N 1.32 0.70 0.17 2.33 1.63 -1.17 -0.30 116.57 121.26 3dm5 h LYS 305 Ca 0.35 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.98 3dm5 h LYS 305 Cb -0.14 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.40 3dm5 h LYS 305 CO -0.08 0.71 -0.08 0.74 -3.45 0.00 0.00 179.45 177.29 3dm5 h PHE 306 N 0.58 -0.21 -0.76 1.91 0.04 -1.06 -1.54 116.94 115.91 3dm5 h PHE 306 Ca 0.14 -0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.97 3dm5 h PHE 306 Cb 0.32 0.07 -0.06 0.00 2.20 0.00 0.00 35.95 38.48 3dm5 h PHE 306 CO 0.02 -0.12 0.44 0.87 -0.60 0.00 0.00 178.31 178.92 3dm5 h LYS 307 N -0.25 0.77 -0.67 1.51 1.79 -0.81 -1.18 116.57 117.73 3dm5 h LYS 307 Ca -0.02 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.33 3dm5 h LYS 307 Cb 0.19 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 3dm5 h LYS 307 CO 0.04 0.51 0.15 0.93 -1.08 0.00 0.00 179.45 180.00 3dm5 h GLU 308 N 0.79 1.09 -0.65 3.15 5.08 -0.87 -2.09 114.58 121.07 3dm5 h GLU 308 Ca 0.34 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3dm5 h GLU 308 Cb 0.22 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 3dm5 h GLU 308 CO -0.19 0.97 0.42 1.25 -1.00 0.00 0.00 179.01 180.46 3dm5 h LEU 309 N 1.01 0.70 -1.16 1.33 5.85 -0.60 -2.75 115.31 119.69 3dm5 h LEU 309 Ca 0.21 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 3dm5 h LEU 309 Cb 0.39 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3dm5 h LEU 309 CO 0.00 0.50 -0.30 -0.33 -0.34 0.00 0.00 178.44 177.97 3dm5 h GLU 310 N 0.83 0.20 0.00 1.25 5.08 -0.60 -2.28 114.58 119.06 3dm5 h GLU 310 Ca 0.25 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3dm5 h GLU 310 Cb -0.04 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3dm5 h GLU 310 CO -0.08 0.49 0.00 1.63 -1.00 0.00 0.00 179.01 180.04 3dm5 n LYS 311 N -4.13 0.22 -0.09 2.33 4.01 -0.86 -2.21 118.16 117.43 3dm5 n LYS 311 Ca -0.01 0.14 0.02 0.00 -0.51 0.00 0.00 58.31 57.95 3dm5 n LYS 311 Cb 0.39 -1.50 0.07 0.00 -0.51 0.00 0.00 35.03 33.48 3dm5 n LYS 311 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3dm5 n GLU 312 N -1.26 1.41 -0.20 1.97 1.02 -0.86 -4.52 120.64 118.19 3dm5 n GLU 312 Ca 0.07 -0.58 -0.07 0.00 -0.02 0.00 0.00 57.16 56.57 3dm5 n GLU 312 Cb 0.11 -1.17 0.03 0.00 -0.02 0.00 0.00 31.44 30.38 3dm5 n GLU 312 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3dm5 h VAL 313 N 0.91 1.18 0.00 2.62 3.04 -1.66 -1.88 116.25 120.46 3dm5 h VAL 313 Ca 0.00 -0.42 -0.01 0.00 -1.01 0.00 0.00 66.70 65.26 3dm5 h VAL 313 Cb 0.27 0.42 -0.00 0.00 -2.01 0.00 0.00 31.29 29.97 3dm5 h VAL 313 CO 0.01 0.19 -0.05 -0.08 -1.01 0.00 0.00 177.57 176.63 3dm5 h GLU 314 N 0.77 0.00 0.07 4.17 4.81 -1.88 1.00 114.58 123.52 3dm5 h GLU 314 Ca 0.20 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3dm5 h GLU 314 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 3dm5 h GLU 314 CO -0.04 0.05 -0.03 0.82 -0.73 0.00 0.00 179.01 179.08 3dm5 h ILE 315 N 0.00 1.20 -0.72 2.32 2.04 -1.69 -2.69 117.51 117.97 3dm5 h ILE 315 Ca -0.00 -1.42 0.07 0.00 1.00 0.00 0.00 64.86 64.50 3dm5 h ILE 315 Cb 0.12 2.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.20 3dm5 h ILE 315 CO 0.01 0.33 0.40 0.50 0.00 0.00 0.00 178.15 179.39 3dm5 h LYS 316 N -0.79 0.71 -0.56 2.37 1.63 -1.11 -1.39 116.57 117.43 3dm5 h LYS 316 Ca -0.01 -0.04 0.08 0.00 -0.85 0.00 0.00 60.65 59.82 3dm5 h LYS 316 Cb 0.61 -0.16 -0.06 0.00 -0.60 0.00 0.00 32.23 32.02 3dm5 h LYS 316 CO 0.02 0.47 0.22 1.49 -3.45 0.00 0.00 179.45 178.20 3dm5 h GLU 317 N 0.73 0.40 0.00 1.90 4.81 -0.88 -1.21 114.58 120.34 3dm5 h GLU 317 Ca 0.33 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.46 3dm5 h GLU 317 Cb 0.22 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3dm5 h GLU 317 CO -0.20 0.27 -0.32 1.49 -0.73 0.00 0.00 179.01 179.52 3dm5 h GLU 318 N 0.41 0.00 0.11 1.92 4.81 -1.04 -1.09 114.58 119.70 3dm5 h GLU 318 Ca 0.27 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 3dm5 h GLU 318 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3dm5 h GLU 318 CO -0.26 0.32 -0.05 -0.44 -0.73 0.00 0.00 179.01 177.85 3dm5 h ASP 319 N 0.00 -0.12 -0.73 1.04 5.19 -0.30 -2.75 116.42 118.76 3dm5 h ASP 319 Ca -0.00 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.25 3dm5 h ASP 319 Cb 0.89 0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.40 3dm5 h ASP 319 CO 0.04 0.07 0.40 0.40 -3.12 0.00 0.00 179.24 177.03 3dm5 h ILE 320 N -0.32 1.22 0.00 0.35 2.04 -1.08 -2.12 117.51 117.60 3dm5 h ILE 320 Ca -0.01 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 3dm5 h ILE 320 Cb 0.26 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 3dm5 h ILE 320 CO 0.02 0.25 -0.00 -0.33 0.00 0.00 0.00 178.15 178.09 3dm5 h GLU 321 N 1.01 0.00 -0.38 2.37 5.08 -1.17 0.20 114.58 121.68 3dm5 h GLU 321 Ca 0.26 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.50 3dm5 h GLU 321 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3dm5 h GLU 321 CO -0.04 0.00 -0.22 0.00 -1.00 0.00 0.00 179.01 177.75 3dm5 h ARG 322 N 0.00 0.76 -0.54 2.33 3.08 -1.08 -3.02 114.38 115.91 3dm5 h ARG 322 Ca -0.00 -0.30 -0.10 0.00 0.07 0.00 0.00 59.98 59.65 3dm5 h ARG 322 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3dm5 h ARG 322 CO 0.00 0.91 -0.05 0.74 -1.07 0.00 0.00 179.97 180.50 3dm5 h PHE 323 N 0.66 1.06 -0.68 3.04 0.04 -0.35 0.65 116.94 121.36 3dm5 h PHE 323 Ca 0.09 -0.19 0.03 0.00 2.80 0.00 0.00 57.97 60.70 3dm5 h PHE 323 Cb 0.72 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 38.56 3dm5 h PHE 323 CO 0.04 0.97 0.45 -0.07 -0.60 0.00 0.00 178.31 179.09 3dm5 h LEU 324 N 0.88 0.72 -1.27 1.54 3.38 -1.08 0.41 115.31 119.88 3dm5 h LEU 324 Ca 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3dm5 h LEU 324 Cb 0.58 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3dm5 h LEU 324 CO 0.04 0.51 0.00 0.54 0.09 0.00 0.00 178.44 179.61 3dm5 n ARG 325 N -4.45 1.84 -0.95 1.13 1.74 -1.13 -4.16 116.66 110.68 3dm5 n ARG 325 Ca 0.08 -0.91 0.00 0.00 -0.77 0.00 0.00 57.85 56.25 3dm5 n ARG 325 Cb 0.10 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 3dm5 n ARG 325 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dm5 n GLY 326 N 0.58 0.72 2.58 -0.13 0.00 0.14 -4.92 105.19 104.16 3dm5 n GLY 326 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3dm5 n GLY 326 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3dm5 n LYS 327 N -2.15 3.26 -4.97 1.61 2.85 0.20 -4.87 118.16 114.10 3dm5 n LYS 327 Ca 0.00 -2.54 -0.28 0.00 -1.05 0.00 0.00 58.31 54.44 3dm5 n LYS 327 Cb 0.02 -3.07 -0.16 0.00 -0.65 0.00 0.00 35.03 31.17 3dm5 n LYS 327 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 177.40 177.47 3dm5 s PHE 328 N 2.52 1.97 0.40 5.58 5.36 -1.26 -4.00 117.98 128.55 3dm5 s PHE 328 Ca 0.55 -0.61 0.04 0.00 -0.96 0.00 0.00 56.93 55.96 3dm5 s PHE 328 Cb 0.15 -1.32 -0.05 0.00 -0.34 0.00 0.00 43.02 41.46 3dm5 s PHE 328 CO -0.07 -0.21 0.04 0.95 -1.46 0.00 0.00 175.22 174.47 3dm5 s THR 329 N 0.05 1.36 0.45 0.12 -4.23 -1.26 -4.96 115.64 107.17 3dm5 s THR 329 Ca -0.06 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.75 3dm5 s THR 329 Cb -0.13 -2.68 0.32 0.00 1.34 0.00 0.00 72.50 71.35 3dm5 s THR 329 CO 0.03 0.00 2.13 -0.07 -0.54 0.00 0.00 174.62 176.17 3dm5 h LEU 330 N 1.82 0.00 -0.05 4.79 3.38 -1.62 -1.25 115.31 122.38 3dm5 h LEU 330 Ca -0.42 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 3dm5 h LEU 330 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3dm5 h LEU 330 CO 0.72 0.08 -0.21 0.50 0.09 0.00 0.00 178.44 179.62 3dm5 h LYS 331 N 0.00 0.23 -0.85 1.13 1.63 -1.94 -0.16 116.57 116.61 3dm5 h LYS 331 Ca -0.00 -0.18 0.11 0.00 -0.85 0.00 0.00 60.65 59.73 3dm5 h LYS 331 Cb 0.25 0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 31.84 3dm5 h LYS 331 CO 0.01 0.83 0.48 -0.44 -3.45 0.00 0.00 179.45 176.87 3dm5 h ASP 332 N -0.31 0.66 0.12 4.20 3.45 -1.69 -1.87 116.42 120.98 3dm5 h ASP 332 Ca -0.01 0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.50 3dm5 h ASP 332 Cb 0.86 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.57 3dm5 h ASP 332 CO 0.04 0.35 -0.06 -0.03 -1.57 0.00 0.00 179.24 177.98 3dm5 h MET 333 N 0.77 -0.15 -0.90 3.56 4.05 -1.27 -1.34 114.93 119.64 3dm5 h MET 333 Ca 0.42 0.01 0.35 0.00 -0.28 0.00 0.00 59.70 60.21 3dm5 h MET 333 Cb 0.45 0.04 -0.16 0.00 -0.80 0.00 0.00 31.60 31.12 3dm5 h MET 333 CO -0.28 0.28 0.40 0.98 0.23 0.00 0.00 176.91 178.52 3dm5 n TYR 334 N -4.94 0.97 -0.06 1.39 -0.00 -0.08 -1.30 117.16 113.14 3dm5 n TYR 334 Ca -0.08 1.07 -0.14 0.00 -0.00 0.00 0.00 57.90 58.74 3dm5 n TYR 334 Cb 0.26 -1.42 -0.13 0.00 -0.00 0.00 0.00 39.34 38.05 3dm5 n TYR 334 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3dm5 h ALA 335 N 1.81 -0.00 -0.69 2.98 0.00 -1.25 -2.44 119.26 119.66 3dm5 h ALA 335 Ca 0.73 -0.50 0.12 0.00 0.00 0.00 0.00 54.91 55.25 3dm5 h ALA 335 Cb 1.86 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 19.53 3dm5 h ALA 335 CO -0.72 0.01 -0.33 1.96 0.00 0.00 0.00 179.25 180.17 3dm5 h GLN 336 N -0.95 -0.11 0.35 0.00 1.08 -0.00 0.06 115.11 115.55 3dm5 h GLN 336 Ca -0.01 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3dm5 h GLN 336 Cb 1.02 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 3dm5 h GLN 336 CO 0.01 -0.07 -0.17 -0.07 -0.95 0.00 0.00 178.83 177.58 3dm5 h LEU 337 N -0.11 -0.40 -1.12 1.46 3.38 -1.32 -1.70 115.31 115.50 3dm5 h LEU 337 Ca 0.27 -0.05 0.29 0.00 0.09 0.00 0.00 57.88 58.48 3dm5 h LEU 337 Cb 0.56 0.10 -0.13 0.00 0.09 0.00 0.00 40.66 41.29 3dm5 h LEU 337 CO -0.75 -0.20 0.63 -0.08 0.09 0.00 0.00 178.44 178.13 3dm5 h GLU 338 N -0.57 0.40 -0.11 1.13 4.57 -0.82 0.53 114.58 119.71 3dm5 h GLU 338 Ca -0.05 -0.02 -0.20 0.00 -1.18 0.00 0.00 59.36 57.91 3dm5 h GLU 338 Cb 0.42 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 3dm5 h GLU 338 CO 0.08 0.27 -0.74 0.00 -1.18 0.00 0.00 179.01 177.43 3dm5 h ALA 339 N 1.73 0.48 -0.48 2.92 0.00 -0.78 -2.95 119.26 120.18 3dm5 h ALA 339 Ca 0.68 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3dm5 h ALA 339 Cb 1.55 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 3dm5 h ALA 339 CO -0.47 0.73 0.28 0.52 0.00 0.00 0.00 179.25 180.30 3dm5 h MET 340 N 0.39 0.66 0.00 0.00 2.86 0.98 -2.55 114.93 117.27 3dm5 h MET 340 Ca -0.04 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3dm5 h MET 340 Cb 1.34 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.87 3dm5 h MET 340 CO 0.14 0.50 0.00 0.07 1.06 0.00 0.00 176.91 178.68 3dm5 h ARG 341 N 0.64 0.00 -1.17 1.72 0.11 -1.41 -2.63 114.38 111.63 3dm5 h ARG 341 Ca 0.17 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.70 3dm5 h ARG 341 Cb 0.02 0.00 -0.24 0.00 1.11 0.00 0.00 29.97 30.86 3dm5 h ARG 341 CO -0.03 0.00 0.72 1.63 0.10 0.00 0.00 179.97 182.39 3dm5 n LYS 342 N -2.83 2.38 0.00 0.08 5.02 -0.98 -4.17 118.16 117.66 3dm5 n LYS 342 Ca 0.04 -2.70 0.00 0.00 -2.02 0.00 0.00 58.31 53.63 3dm5 n LYS 342 Cb 0.45 -2.06 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 3dm5 n LYS 342 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 3dm5 n MET 343 N -0.50 0.94 -3.98 1.97 1.56 -0.99 -4.95 117.12 111.17 3dm5 n MET 343 Ca 0.52 -0.79 -0.31 0.00 -0.27 0.00 0.00 57.70 56.85 3dm5 n MET 343 Cb 0.66 -0.69 -0.15 0.00 2.15 0.00 0.00 33.22 35.19 3dm5 n MET 343 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 3dm5 s GLY 344 N -0.33 1.37 -0.81 -5.12 0.00 -1.26 -5.09 107.32 96.08 3dm5 s GLY 344 Ca 0.00 -1.42 -0.25 0.00 0.00 0.00 0.00 44.72 43.05 3dm5 s GLY 344 CO 0.00 0.82 1.99 -4.14 0.00 0.00 0.00 173.10 171.77 3dm5 s PRO 345 N 1.33 2.46 0.00 2.90 0.02 -1.26 -5.12 135.00 135.32 3dm5 s PRO 345 Ca -0.06 0.07 0.00 0.00 0.02 0.00 0.00 61.00 61.03 3dm5 s PRO 345 Cb -0.19 -4.85 0.00 0.00 0.02 0.00 0.00 34.50 29.48 3dm5 s PRO 345 CO -0.06 -3.33 0.00 -0.89 -0.33 0.00 0.00 177.00 172.39 3dm5 n ILE 365 N 7.81 0.00 -4.98 2.83 2.08 -1.26 -5.18 119.36 120.66 3dm5 n ILE 365 Ca 0.36 0.00 -0.32 0.00 0.56 0.00 0.00 62.75 63.35 3dm5 n ILE 365 Cb 0.48 0.00 -0.17 0.00 -0.75 0.00 0.00 39.64 39.20 3dm5 n ILE 365 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3dm5 s SER 366 N 0.00 3.05 -0.08 4.38 1.04 -1.26 -5.06 113.70 115.77 3dm5 s SER 366 Ca 0.00 -0.57 -0.11 0.00 0.48 0.00 0.00 55.95 55.76 3dm5 s SER 366 Cb 0.00 -1.40 -0.08 0.00 0.10 0.00 0.00 66.02 64.64 3dm5 s SER 366 CO 0.00 0.12 0.38 0.16 0.98 0.00 0.00 173.24 174.89 3dm5 h ILE 367 N 5.76 0.39 0.00 -1.02 -2.65 -2.00 -3.51 117.51 114.48 3dm5 h ILE 367 Ca -0.25 -1.12 0.00 0.00 1.03 0.00 0.00 64.86 64.52 3dm5 h ILE 367 Cb 1.22 0.70 0.00 0.00 -2.05 0.00 0.00 36.82 36.69 3dm5 h ILE 367 CO 0.50 0.12 0.00 0.61 0.03 0.00 0.00 178.15 179.41 3dm5 n GLY 368 N 1.27 3.45 0.24 0.16 0.00 -1.26 -4.80 105.19 104.25 3dm5 n GLY 368 Ca -0.04 -1.47 -0.03 0.00 0.00 0.00 0.00 46.02 44.48 3dm5 n GLY 368 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3dm5 h GLU 369 N 0.00 -0.05 -0.38 1.61 4.57 -1.99 -0.06 114.58 118.29 3dm5 h GLU 369 Ca 0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 3dm5 h GLU 369 Cb 0.00 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3dm5 h GLU 369 CO 0.00 -0.03 -0.02 0.93 -1.18 0.00 0.00 179.01 178.70 3dm5 h GLU 370 N -0.05 0.68 -0.61 1.92 4.39 -1.99 -1.43 114.58 117.49 3dm5 h GLU 370 Ca 0.25 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 3dm5 h GLU 370 Cb 0.43 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 3dm5 h GLU 370 CO -0.56 0.80 0.22 -0.09 -1.16 0.00 0.00 179.01 178.22 3dm5 h ARG 371 N 0.49 0.90 -0.38 2.33 2.43 -1.62 -0.63 114.38 117.90 3dm5 h ARG 371 Ca 0.10 -0.15 -0.15 0.00 -0.81 0.00 0.00 59.98 58.97 3dm5 h ARG 371 Cb 0.50 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3dm5 h ARG 371 CO 0.02 0.75 -0.36 1.25 -1.51 0.00 0.00 179.97 180.12 3dm5 h LEU 372 N 0.88 0.98 -1.47 3.80 6.46 -0.94 0.45 115.31 125.47 3dm5 h LEU 372 Ca 0.21 -0.46 -0.01 0.00 -0.12 0.00 0.00 57.88 57.49 3dm5 h LEU 372 Cb 0.20 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.84 3dm5 h LEU 372 CO -0.02 1.24 0.21 0.50 -0.62 0.00 0.00 178.44 179.75 3dm5 h LYS 373 N 0.73 0.56 -0.20 1.25 3.64 -0.67 0.41 116.57 122.30 3dm5 h LYS 373 Ca 0.06 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.21 3dm5 h LYS 373 Cb 0.96 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3dm5 h LYS 373 CO 0.09 0.43 -0.57 -0.22 -2.27 0.00 0.00 179.45 176.92 3dm5 h LYS 374 N 0.57 0.73 -0.68 1.90 3.64 -0.90 -2.95 116.57 118.88 3dm5 h LYS 374 Ca 0.15 -0.53 0.03 0.00 -1.27 0.00 0.00 60.65 59.03 3dm5 h LYS 374 Cb 0.05 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.91 3dm5 h LYS 374 CO -0.02 1.15 0.42 0.74 -2.27 0.00 0.00 179.45 179.46 3dm5 h PHE 375 N 0.45 0.78 0.14 1.91 -1.00 0.21 -1.86 116.94 117.57 3dm5 h PHE 375 Ca -0.01 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 3dm5 h PHE 375 Cb 1.19 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 40.49 3dm5 h PHE 375 CO 0.09 0.44 -0.07 -0.22 -1.61 0.00 0.00 178.31 176.95 3dm5 h LYS 376 N 0.82 -0.18 -1.00 1.51 3.64 -1.01 -2.17 116.57 118.18 3dm5 h LYS 376 Ca 0.27 0.01 0.23 0.00 -1.27 0.00 0.00 60.65 59.90 3dm5 h LYS 376 Cb 0.03 0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 31.79 3dm5 h LYS 376 CO -0.11 -0.08 0.63 0.28 -2.27 0.00 0.00 179.45 177.90 3dm5 h VAL 377 N -0.22 0.61 -0.10 2.00 2.07 -1.27 -0.65 116.25 118.69 3dm5 h VAL 377 Ca -0.02 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 3dm5 h VAL 377 Cb 0.18 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 3dm5 h VAL 377 CO 0.03 0.10 -0.12 0.40 0.02 0.00 0.00 177.57 178.00 3dm5 h ILE 378 N 0.54 1.37 0.00 4.57 2.04 -0.97 -3.16 117.51 121.89 3dm5 h ILE 378 Ca 0.58 -1.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.08 3dm5 h ILE 378 Cb 1.22 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 39.30 3dm5 h ILE 378 CO -0.33 0.37 -0.21 0.24 0.00 0.00 0.00 178.15 178.22 3dm5 h MET 379 N -0.17 0.00 0.00 2.37 2.86 -0.65 -0.27 114.93 119.07 3dm5 h MET 379 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3dm5 h MET 379 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 3dm5 h MET 379 CO 0.03 0.21 0.00 -0.25 1.06 0.00 0.00 176.91 177.96 3dm5 n ASP 380 N -4.23 0.00 -0.44 1.22 8.00 -0.35 -0.94 116.55 119.80 3dm5 n ASP 380 Ca -0.02 -0.09 0.05 0.00 0.71 0.00 0.00 54.79 55.44 3dm5 n ASP 380 Cb 0.27 -0.18 0.05 0.00 -0.02 0.00 0.00 41.12 41.24 3dm5 n ASP 380 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3dm5 n SER 381 N -1.18 1.94 -4.92 -2.24 2.88 -0.12 -4.98 113.62 105.00 3dm5 n SER 381 Ca 0.08 -1.47 -0.27 0.00 -1.33 0.00 0.00 58.87 55.88 3dm5 n SER 381 Cb 0.08 -0.01 -0.02 0.00 -0.75 0.00 0.00 64.21 63.52 3dm5 n SER 381 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 3dm5 s MET 382 N -0.91 3.57 0.65 -1.46 -1.94 -0.11 -4.68 119.30 114.41 3dm5 s MET 382 Ca 0.13 -0.05 -0.02 0.00 -1.71 0.00 0.00 55.69 54.04 3dm5 s MET 382 Cb 0.09 -2.58 0.08 0.00 2.01 0.00 0.00 34.83 34.43 3dm5 s MET 382 CO 0.14 0.08 0.92 0.95 -0.01 0.00 0.00 175.02 177.10 3dm5 s THR 383 N -2.33 2.38 0.08 2.05 -4.23 -1.26 -4.91 115.64 107.41 3dm5 s THR 383 Ca 0.44 -0.54 -0.23 0.00 -1.18 0.00 0.00 61.69 60.18 3dm5 s THR 383 Cb -0.10 -2.84 -0.15 0.00 1.34 0.00 0.00 72.50 70.75 3dm5 s THR 383 CO 0.36 0.00 1.69 -0.08 -0.54 0.00 0.00 174.62 176.05 3dm5 h GLU 384 N -0.33 0.02 -0.27 3.99 4.57 -1.99 -1.00 114.58 119.58 3dm5 h GLU 384 Ca -0.41 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.76 3dm5 h GLU 384 Cb 1.29 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 3dm5 h GLU 384 CO 0.49 0.07 0.12 1.05 -1.18 0.00 0.00 179.01 179.56 3dm5 h GLU 385 N -0.03 0.36 -0.02 1.92 4.11 -1.95 0.76 114.58 119.73 3dm5 h GLU 385 Ca 0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 3dm5 h GLU 385 Cb 0.05 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3dm5 h GLU 385 CO -0.00 0.29 -0.02 0.93 0.07 0.00 0.00 179.01 180.28 3dm5 h GLU 386 N 0.37 0.05 -0.28 1.06 5.08 -1.72 -0.58 114.58 118.56 3dm5 h GLU 386 Ca 0.09 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3dm5 h GLU 386 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3dm5 h GLU 386 CO -0.01 0.51 0.19 -0.07 -1.00 0.00 0.00 179.01 178.63 3dm5 h LEU 387 N -0.41 0.17 0.00 1.33 3.38 -0.32 -2.62 115.31 116.84 3dm5 h LEU 387 Ca 0.00 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 3dm5 h LEU 387 Cb 0.50 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3dm5 h LEU 387 CO 0.00 0.12 -1.37 0.18 0.09 0.00 0.00 178.44 177.47 3dm5 n LEU 388 N -4.49 0.83 -3.46 1.67 4.77 0.18 -1.63 117.00 114.87 3dm5 n LEU 388 Ca 0.02 0.35 -0.28 0.00 -0.03 0.00 0.00 56.01 56.08 3dm5 n LEU 388 Cb 0.20 0.05 -0.11 0.00 -2.33 0.00 0.00 43.42 41.24 3dm5 n LEU 388 CO 0.35 0.08 -0.30 0.20 -1.33 0.00 0.00 177.39 176.39 3dm5 s ASN 389 N -5.67 2.24 0.24 -1.43 0.01 -0.23 -4.85 114.94 105.25 3dm5 s ASN 389 Ca -0.03 -2.75 -0.06 0.00 -0.71 0.00 0.00 52.86 49.31 3dm5 s ASN 389 Cb 0.09 -0.50 0.23 0.00 0.41 0.00 0.00 41.25 41.47 3dm5 s ASN 389 CO 0.81 -0.22 1.84 -0.65 -1.51 0.00 0.00 177.10 177.36 3dm5 h PRO 390 N 6.19 1.20 -0.75 -0.60 0.11 -1.72 -2.70 132.00 133.73 3dm5 h PRO 390 Ca 0.17 -0.17 0.30 0.00 0.11 0.00 0.00 66.00 66.41 3dm5 h PRO 390 Cb 0.93 -0.22 -0.11 0.00 0.11 0.00 0.00 31.00 31.70 3dm5 h PRO 390 CO 0.35 0.91 0.43 -0.85 -0.21 0.00 0.00 178.00 178.63 3dm5 n GLU 391 N -4.31 -0.04 0.03 1.05 0.28 -1.26 0.14 120.64 116.53 3dm5 n GLU 391 Ca 0.08 0.91 0.11 0.00 -0.16 0.00 0.00 57.16 58.10 3dm5 n GLU 391 Cb 0.13 -1.68 0.45 0.00 1.43 0.00 0.00 31.44 31.77 3dm5 n GLU 391 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 3dm5 n ILE 392 N -4.40 0.61 -2.18 3.84 -5.35 -1.02 -4.66 119.36 106.20 3dm5 n ILE 392 Ca 0.26 0.11 -0.31 0.00 -0.27 0.00 0.00 62.75 62.55 3dm5 n ILE 392 Cb 0.93 -0.82 -0.05 0.00 -1.74 0.00 0.00 39.64 37.96 3dm5 n ILE 392 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3dm5 s ILE 393 N -3.05 3.62 0.00 7.28 1.01 0.37 -4.94 121.20 125.49 3dm5 s ILE 393 Ca 0.09 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.93 3dm5 s ILE 393 Cb 0.13 -4.49 0.00 0.00 0.01 0.00 0.00 42.46 38.11 3dm5 s ILE 393 CO 0.40 -1.21 0.00 -0.46 0.00 0.00 0.00 174.94 173.67 3dm5 n ASN 394 N 12.88 -0.32 0.12 3.58 0.23 -1.26 -4.82 115.26 125.66 3dm5 n ASN 394 Ca 0.42 -0.37 -0.24 0.00 -0.53 0.00 0.00 54.58 53.87 3dm5 n ASN 394 Cb 0.47 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 38.02 3dm5 n ASN 394 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 3dm5 h TYR 395 N -0.83 0.91 -0.26 -2.53 3.20 -2.00 -2.85 116.97 112.61 3dm5 h TYR 395 Ca 0.00 -0.65 -0.05 0.00 3.14 0.00 0.00 58.73 61.17 3dm5 h TYR 395 Cb 0.00 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3dm5 h TYR 395 CO 0.00 1.51 -0.05 0.66 -1.64 0.00 0.00 178.16 178.63 3dm5 h SER 396 N 0.06 0.39 -0.32 -2.11 4.64 -1.99 -1.42 113.55 112.79 3dm5 h SER 396 Ca -0.23 -0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3dm5 h SER 396 Cb 2.04 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 64.01 3dm5 h SER 396 CO 0.25 0.49 0.19 0.03 -0.87 0.00 0.00 176.83 176.92 3dm5 h ARG 397 N 0.39 0.44 -1.00 4.77 3.08 -1.93 -1.23 114.38 118.91 3dm5 h ARG 397 Ca 0.08 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.15 3dm5 h ARG 397 Cb 0.35 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.24 3dm5 h ARG 397 CO 0.02 0.35 0.65 0.82 -1.07 0.00 0.00 179.97 180.73 3dm5 h ILE 398 N 0.41 1.10 0.00 2.04 2.04 -1.08 0.48 117.51 122.50 3dm5 h ILE 398 Ca 0.12 -0.41 -0.11 0.00 1.00 0.00 0.00 64.86 65.46 3dm5 h ILE 398 Cb 0.03 -0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 35.90 3dm5 h ILE 398 CO -0.02 0.22 -0.50 0.11 0.00 0.00 0.00 178.15 177.95 3dm5 h LYS 399 N 1.19 0.00 0.05 2.37 1.57 -1.01 0.12 116.57 120.86 3dm5 h LYS 399 Ca 0.43 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.20 3dm5 h LYS 399 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3dm5 h LYS 399 CO -0.16 0.50 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.10 3dm5 h ARG 400 N 0.00 -0.06 -0.37 3.15 2.43 0.03 -1.92 114.38 117.63 3dm5 h ARG 400 Ca -0.01 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 3dm5 h ARG 400 Cb 0.98 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.47 3dm5 h ARG 400 CO 0.07 0.44 -0.08 0.82 -1.51 0.00 0.00 179.97 179.71 3dm5 h ILE 401 N -0.61 0.64 -0.30 1.20 2.04 0.04 0.51 117.51 121.04 3dm5 h ILE 401 Ca -0.01 -0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 3dm5 h ILE 401 Cb 0.53 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3dm5 h ILE 401 CO 0.01 0.00 0.18 0.00 0.00 0.00 0.00 178.15 178.35 3dm5 h ALA 402 N 1.36 0.38 -0.26 1.87 0.00 -0.82 -0.01 119.26 121.79 3dm5 h ALA 402 Ca 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3dm5 h ALA 402 Cb 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3dm5 h ALA 402 CO -0.37 -0.18 0.13 -0.09 0.00 0.00 0.00 179.25 178.74 3dm5 h ARG 403 N 0.37 0.36 0.00 0.00 2.43 -0.81 -1.30 114.38 115.44 3dm5 h ARG 403 Ca 0.12 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3dm5 h ARG 403 Cb -0.01 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3dm5 h ARG 403 CO -0.05 0.34 -0.15 0.78 -1.51 0.00 0.00 179.97 179.38 3dm5 h GLY 404 N 0.29 0.00 -0.48 2.80 0.00 0.33 -2.84 103.07 103.17 3dm5 h GLY 404 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3dm5 h GLY 404 CO -0.01 0.00 -0.54 -1.14 0.00 0.00 0.00 176.54 174.85 3dm5 n SER 405 N -3.65 1.57 -1.79 0.19 3.41 -0.04 -4.86 113.62 108.44 3dm5 n SER 405 Ca -0.02 -1.24 -0.14 0.00 -0.26 0.00 0.00 58.87 57.22 3dm5 n SER 405 Cb 0.28 0.50 0.01 0.00 -0.26 0.00 0.00 64.21 64.74 3dm5 n SER 405 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dm5 n GLY 406 N 1.42 -0.13 0.00 5.00 0.00 -0.81 -4.84 105.19 105.84 3dm5 n GLY 406 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3dm5 n GLY 406 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3dm5 n THR 407 N -4.04 0.00 -3.83 2.61 -2.24 -0.56 -5.05 114.28 101.18 3dm5 n THR 407 Ca -0.11 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.46 3dm5 n THR 407 Cb 0.60 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.80 3dm5 n THR 407 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3dm5 s SER 408 N -0.15 5.55 0.57 3.42 1.04 -1.26 -4.40 113.70 118.46 3dm5 s SER 408 Ca 0.00 -0.34 0.35 0.00 0.48 0.00 0.00 55.95 56.44 3dm5 s SER 408 Cb 0.00 -1.19 1.63 0.00 0.10 0.00 0.00 66.02 66.56 3dm5 s SER 408 CO 0.00 -0.27 2.09 0.71 0.98 0.00 0.00 173.24 176.74 3dm5 h THR 409 N 1.23 0.12 0.50 2.02 1.35 -1.91 -2.52 112.91 113.70 3dm5 h THR 409 Ca -0.46 -0.43 -0.02 0.00 -0.55 0.00 0.00 66.41 64.95 3dm5 h THR 409 Cb 1.25 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 3dm5 h THR 409 CO 0.58 0.03 -0.24 0.11 -0.25 0.00 0.00 175.52 175.75 3dm5 h LYS 410 N 0.00 -0.64 -0.80 4.72 6.56 -1.97 -2.07 116.57 122.37 3dm5 h LYS 410 Ca -0.00 0.04 0.19 0.00 -1.06 0.00 0.00 60.65 59.83 3dm5 h LYS 410 Cb 0.37 0.15 -0.13 0.00 -0.57 0.00 0.00 32.23 32.05 3dm5 h LYS 410 CO 0.00 -0.34 0.17 -0.44 -2.06 0.00 0.00 179.45 176.78 3dm5 h ASP 411 N -1.03 -0.05 -0.49 0.86 3.32 -1.91 0.77 116.42 117.89 3dm5 h ASP 411 Ca -0.07 0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3dm5 h ASP 411 Cb 0.60 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 3dm5 h ASP 411 CO 0.11 -0.11 0.29 0.58 -1.72 0.00 0.00 179.24 178.40 3dm5 h VAL 412 N 0.22 1.15 0.00 -1.35 2.07 -1.40 -0.13 116.25 116.81 3dm5 h VAL 412 Ca 0.47 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.58 3dm5 h VAL 412 Cb 0.87 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3dm5 h VAL 412 CO -0.60 0.15 -0.32 0.11 0.02 0.00 0.00 177.57 176.94 3dm5 h LYS 413 N 0.65 0.00 0.65 1.57 1.57 -0.53 -1.56 116.57 118.92 3dm5 h LYS 413 Ca 0.17 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3dm5 h LYS 413 Cb -0.01 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.31 3dm5 h LYS 413 CO -0.03 0.32 -0.31 0.93 -0.57 0.00 0.00 179.45 179.79 3dm5 h GLU 414 N 0.00 -0.84 -0.79 3.15 5.08 0.22 -0.47 114.58 120.93 3dm5 h GLU 414 Ca -0.00 0.06 0.16 0.00 -1.00 0.00 0.00 59.36 58.58 3dm5 h GLU 414 Cb 0.72 0.19 -0.15 0.00 0.50 0.00 0.00 28.75 30.01 3dm5 h GLU 414 CO 0.04 -0.56 -0.16 1.25 -1.00 0.00 0.00 179.01 178.58 3dm5 h LEU 415 N -0.96 -0.67 -1.17 1.33 6.46 -0.97 0.12 115.31 119.44 3dm5 h LEU 415 Ca -0.09 0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 3dm5 h LEU 415 Cb 0.67 0.47 -0.04 0.00 -0.73 0.00 0.00 40.66 41.02 3dm5 h LEU 415 CO 0.15 -0.25 0.52 -0.07 -0.62 0.00 0.00 178.44 178.17 3dm5 h LEU 416 N 0.01 0.95 -0.01 2.25 3.38 -1.21 -0.88 115.31 119.80 3dm5 h LEU 416 Ca 0.39 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.32 3dm5 h LEU 416 Cb 0.61 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 3dm5 h LEU 416 CO -0.79 0.70 0.00 0.44 0.09 0.00 0.00 178.44 178.88 3dm5 h ASP 417 N 1.11 0.01 -0.74 -0.43 3.32 0.91 0.74 116.42 121.33 3dm5 h ASP 417 Ca 0.30 -0.13 0.16 0.00 0.02 0.00 0.00 57.03 57.38 3dm5 h ASP 417 Cb -0.10 -0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.33 3dm5 h ASP 417 CO -0.06 0.14 0.20 -0.61 -1.72 0.00 0.00 179.24 177.18 3dm5 h GLN 418 N -0.12 0.28 0.84 3.56 5.75 -0.61 0.22 115.11 125.03 3dm5 h GLN 418 Ca 0.00 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.45 3dm5 h GLN 418 Cb 0.13 -0.06 0.01 0.00 1.07 0.00 0.00 27.48 28.63 3dm5 h GLN 418 CO -0.00 0.18 -0.40 -0.92 -2.65 0.00 0.00 178.83 175.04 3dm5 h TYR 419 N 0.29 -1.04 -0.90 3.99 5.03 -0.54 -1.45 116.97 122.34 3dm5 h TYR 419 Ca 0.42 -0.02 0.19 0.00 2.58 0.00 0.00 58.73 61.90 3dm5 h TYR 419 Cb 0.71 0.34 -0.07 0.00 1.55 0.00 0.00 36.73 39.27 3dm5 h TYR 419 CO -0.25 -0.64 0.59 0.00 -1.32 0.00 0.00 178.16 176.54 3dm5 h ARG 420 N -1.16 0.47 0.91 1.82 3.08 -0.25 0.27 114.38 119.53 3dm5 h ARG 420 Ca -0.11 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 3dm5 h ARG 420 Cb 0.87 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.82 3dm5 h ARG 420 CO 0.19 0.31 -0.44 0.37 -1.07 0.00 0.00 179.97 179.33 3dm5 h GLN 421 N 0.49 -1.18 -0.61 0.04 4.15 -0.31 -0.92 115.11 116.76 3dm5 h GLN 421 Ca 0.47 0.08 0.04 0.00 0.77 0.00 0.00 58.65 60.02 3dm5 h GLN 421 Cb 1.06 0.27 -0.04 0.00 0.21 0.00 0.00 27.48 28.98 3dm5 h GLN 421 CO -0.20 -0.79 0.40 0.52 -1.93 0.00 0.00 178.83 176.84 3dm5 h MET 422 N -1.32 0.65 -0.53 1.69 2.86 -0.26 -1.76 114.93 116.25 3dm5 h MET 422 Ca -0.13 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.39 3dm5 h MET 422 Cb 0.94 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.44 3dm5 h MET 422 CO 0.21 0.43 0.01 -0.22 1.06 0.00 0.00 176.91 178.39 3dm5 h LYS 423 N 0.67 0.94 -0.04 1.72 3.64 -0.42 -2.65 116.57 120.43 3dm5 h LYS 423 Ca 0.25 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3dm5 h LYS 423 Cb 0.16 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3dm5 h LYS 423 CO -0.07 0.95 0.02 0.87 -2.27 0.00 0.00 179.45 178.95 3dm5 h LYS 424 N 0.81 0.06 -0.17 1.90 1.57 -0.33 -1.70 116.57 118.70 3dm5 h LYS 424 Ca 0.15 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.94 3dm5 h LYS 424 Cb 0.52 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 3dm5 h LYS 424 CO 0.03 0.10 -0.12 -0.07 -0.57 0.00 0.00 179.45 178.82 3dm5 h LEU 425 N -0.01 -0.42 -0.34 2.94 3.38 -1.30 -1.96 115.31 117.60 3dm5 h LEU 425 Ca 0.01 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3dm5 h LEU 425 Cb 0.06 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3dm5 h LEU 425 CO -0.00 -0.05 0.13 -0.26 0.09 0.00 0.00 178.44 178.34 3dm5 h PHE 426 N -0.02 0.23 -0.47 1.13 0.04 -1.43 -1.49 116.94 114.93 3dm5 h PHE 426 Ca 0.03 0.02 0.14 0.00 2.80 0.00 0.00 57.97 60.95 3dm5 h PHE 426 Cb 0.09 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 3dm5 h PHE 426 CO -0.88 0.10 0.37 0.87 -0.60 0.00 0.00 178.31 178.17 3dm5 h LYS 427 N 0.28 0.00 -2.33 1.51 6.56 -1.12 -2.63 116.57 118.84 3dm5 h LYS 427 Ca 0.15 0.00 -0.66 0.00 -1.06 0.00 0.00 60.65 59.08 3dm5 h LYS 427 Cb 0.11 0.00 -0.38 0.00 -0.57 0.00 0.00 32.23 31.40 3dm5 h LYS 427 CO -0.15 0.00 -0.14 -1.13 -2.06 0.00 0.00 179.45 175.97 3dm5 n SER 428 N -4.21 5.07 -4.19 0.86 3.41 -0.56 -4.76 113.62 109.24 3dm5 n SER 428 Ca 0.08 -3.59 -0.24 0.00 -0.26 0.00 0.00 58.87 54.86 3dm5 n SER 428 Cb 0.57 -0.79 -0.15 0.00 -0.26 0.00 0.00 64.21 63.59 3dm5 n SER 428 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3dm5 s MET 429 N -3.29 1.31 0.35 4.33 1.00 -0.99 -4.88 119.30 117.13 3dm5 s MET 429 Ca 0.43 -0.76 0.28 0.00 0.00 0.00 0.00 55.69 55.64 3dm5 s MET 429 Cb 0.20 -1.33 0.97 0.00 0.00 0.00 0.00 34.83 34.68 3dm5 s MET 429 CO -0.07 0.35 0.93 0.27 0.00 0.00 0.00 175.02 176.50 3dm5 n ASN 430 N 2.23 0.00 -0.70 3.03 6.94 -1.26 -4.69 115.26 120.82 3dm5 n ASN 430 Ca -0.16 0.59 -0.09 0.00 -0.02 0.00 0.00 54.58 54.89 3dm5 n ASN 430 Cb 0.54 -0.28 -0.04 0.00 -2.36 0.00 0.00 39.78 37.64 3dm5 n ASN 430 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 3dm5 n LYS 431 N -3.05 -1.32 -3.30 -3.83 0.00 -1.26 -4.91 118.16 100.49 3dm5 n LYS 431 Ca 0.25 0.77 -0.23 0.00 -0.00 0.00 0.00 58.31 59.10 3dm5 n LYS 431 Cb 1.20 -4.95 -0.08 0.00 -0.00 0.00 0.00 35.03 31.19 3dm5 n LYS 431 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3dm5 s ARG 432 N -2.57 0.89 0.00 -1.58 1.70 -1.26 -5.11 118.95 111.02 3dm5 s ARG 432 Ca 0.00 -1.86 0.00 0.00 -0.47 0.00 0.00 55.73 53.40 3dm5 s ARG 432 Cb 0.00 -1.18 0.00 0.00 -0.57 0.00 0.00 34.95 33.20 3dm5 s ARG 432 CO 0.00 -1.36 0.00 1.04 -1.08 0.00 0.00 175.30 173.90 3dm5 n GLN 433 N 2.99 0.00 -3.23 3.89 6.02 -1.26 -5.17 117.38 120.62 3dm5 n GLN 433 Ca 0.26 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.29 3dm5 n GLN 433 Cb 0.48 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.72 3dm5 n GLN 433 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3dm5 s LEU 434 N 0.00 -0.89 0.00 1.08 1.02 -1.26 -5.21 118.68 113.42 3dm5 s LEU 434 Ca 0.00 0.70 0.05 0.00 0.02 0.00 0.00 54.13 54.90 3dm5 s LEU 434 Cb 0.00 1.81 0.04 0.00 0.02 0.00 0.00 46.19 48.06 3dm5 s LEU 434 CO 0.00 -0.17 0.67 -1.20 0.02 0.00 0.00 176.35 175.67