#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dm5 s VAL 2 N 0.00 4.73 -1.48 1.12 0.11 -1.26 -0.59 120.40 123.03 3dm5 s VAL 2 Ca 0.00 0.63 0.00 0.00 -2.93 0.00 0.00 61.98 59.68 3dm5 s VAL 2 Cb 0.00 -4.23 0.00 0.00 -1.53 0.00 0.00 36.38 30.62 3dm5 s VAL 2 CO 0.00 -0.53 0.00 0.18 -3.33 0.00 0.00 175.10 171.42 3dm5 n LEU 3 N 6.46 -0.85 0.00 2.54 4.32 -1.23 -4.93 117.00 123.31 3dm5 n LEU 3 Ca 0.02 0.35 0.00 0.00 -0.02 0.00 0.00 56.01 56.35 3dm5 n LEU 3 Cb 0.48 -2.41 0.00 0.00 -1.62 0.00 0.00 43.42 39.87 3dm5 n LEU 3 CO 0.55 -0.89 0.00 -0.90 -1.22 0.00 0.00 177.39 174.92 3dm5 n ASP 4 N -0.81 0.00 0.14 -1.43 5.68 -1.22 -1.06 116.55 117.85 3dm5 n ASP 4 Ca -0.14 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.16 3dm5 n ASP 4 Cb 0.54 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.66 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 0.00 -0.48 -1.12 2.35 -1.91 -2.95 115.58 111.47 3dm5 h ASN 5 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dm5 h ASN 5 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3dm5 h ASN 5 CO 0.00 0.59 0.31 0.25 -1.65 0.00 0.00 177.43 176.93 3dm5 h LEU 6 N 0.00 0.56 0.07 1.61 5.85 -1.79 -0.91 115.31 120.70 3dm5 h LEU 6 Ca -0.01 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.71 3dm5 h LEU 6 Cb 1.23 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 3dm5 h LEU 6 CO 0.08 0.42 -0.25 1.23 -0.34 0.00 0.00 178.44 179.58 3dm5 h GLY 7 N 0.65 -0.42 0.88 3.75 0.00 -0.97 -1.09 103.07 105.86 3dm5 h GLY 7 Ca 0.17 0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.84 3dm5 h GLY 7 CO -0.04 -0.21 0.65 0.50 0.00 0.00 0.00 176.54 177.44 3dm5 h LYS 8 N -0.42 1.22 -0.34 4.80 1.57 -1.38 0.17 116.57 122.18 3dm5 h LYS 8 Ca 0.04 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3dm5 h LYS 8 Cb 0.48 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3dm5 h LYS 8 CO -0.18 0.81 0.03 0.00 -0.57 0.00 0.00 179.45 179.54 3dm5 h ALA 9 N 1.41 0.46 -0.12 3.86 0.00 -0.63 -0.73 119.26 123.51 3dm5 h ALA 9 Ca 0.40 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3dm5 h ALA 9 Cb 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3dm5 h ALA 9 CO -0.12 0.19 -0.02 -0.07 0.00 0.00 0.00 179.25 179.23 3dm5 h LEU 10 N 0.41 0.23 -1.76 0.00 3.38 -1.04 -2.92 115.31 113.60 3dm5 h LEU 10 Ca 0.10 -0.34 0.13 0.00 0.09 0.00 0.00 57.88 57.86 3dm5 h LEU 10 Cb 0.40 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3dm5 h LEU 10 CO 0.01 0.51 0.42 0.00 0.09 0.00 0.00 178.44 179.47 3dm5 h ALA 11 N 0.72 2.23 -0.01 1.53 0.00 -0.56 -1.16 119.26 122.00 3dm5 h ALA 11 Ca 0.03 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3dm5 h ALA 11 Cb 0.41 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3dm5 h ALA 11 CO 0.01 -0.39 -0.73 -0.91 0.00 0.00 0.00 179.25 177.23 3dm5 h ASN 12 N 0.25 0.09 0.12 0.00 2.35 -0.97 -2.28 115.58 115.14 3dm5 h ASN 12 Ca 0.29 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.91 3dm5 h ASN 12 Cb 0.80 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 3dm5 h ASN 12 CO -0.06 0.79 -0.22 0.71 -1.65 0.00 0.00 177.43 177.00 3dm5 h THR 13 N 0.05 1.21 -0.06 2.81 1.35 -1.03 -1.24 112.91 116.01 3dm5 h THR 13 Ca -0.01 -0.99 -0.14 0.00 -0.55 0.00 0.00 66.41 64.72 3dm5 h THR 13 Cb 1.29 1.38 0.01 0.00 -1.73 0.00 0.00 68.15 69.10 3dm5 h THR 13 CO 0.10 0.30 -0.50 -0.07 -0.25 0.00 0.00 175.52 175.10 3dm5 h LEU 14 N 0.17 0.54 -0.90 3.87 3.38 -1.37 -2.41 115.31 118.60 3dm5 h LEU 14 Ca 0.03 -0.69 0.13 0.00 0.09 0.00 0.00 57.88 57.44 3dm5 h LEU 14 Cb 0.50 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 3dm5 h LEU 14 CO 0.03 1.15 0.52 0.11 0.09 0.00 0.00 178.44 180.34 3dm5 h LYS 15 N -0.02 0.76 -0.08 1.13 1.57 -1.28 -0.02 116.57 118.63 3dm5 h LYS 15 Ca -0.05 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 3dm5 h LYS 15 Cb 1.17 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 3dm5 h LYS 15 CO 0.10 0.50 -0.19 0.87 -0.57 0.00 0.00 179.45 180.16 3dm5 h LYS 16 N 0.78 0.12 0.10 3.15 1.57 -1.07 0.49 116.57 121.71 3dm5 h LYS 16 Ca 0.47 -0.03 -0.29 0.00 -1.87 0.00 0.00 60.65 58.92 3dm5 h LYS 16 Cb 0.56 -0.02 0.03 0.00 0.08 0.00 0.00 32.23 32.88 3dm5 h LYS 16 CO -0.31 0.32 -1.21 0.82 -0.57 0.00 0.00 179.45 178.50 3dm5 h ILE 17 N 0.12 1.30 -0.87 1.86 2.04 -0.73 -2.13 117.51 119.10 3dm5 h ILE 17 Ca 0.02 -2.47 -0.02 0.00 1.00 0.00 0.00 64.86 63.39 3dm5 h ILE 17 Cb 0.42 2.66 -0.04 0.00 -0.74 0.00 0.00 36.82 39.11 3dm5 h ILE 17 CO 0.03 0.75 0.47 0.00 0.00 0.00 0.00 178.15 179.40 3dm5 h ALA 18 N 0.34 1.12 -0.00 1.87 0.00 -0.73 -2.74 119.26 119.12 3dm5 h ALA 18 Ca -0.17 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3dm5 h ALA 18 Cb 1.88 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3dm5 h ALA 18 CO 0.23 0.63 -0.10 0.54 0.00 0.00 0.00 179.25 180.56 3dm5 n ARG 19 N -4.35 0.43 -1.81 0.00 1.74 0.13 -4.91 116.66 107.89 3dm5 n ARG 19 Ca 0.09 -0.10 -0.41 0.00 -0.77 0.00 0.00 57.85 56.65 3dm5 n ARG 19 Cb 0.10 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.03 3dm5 n ARG 19 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dm5 s ALA 20 N -2.64 3.67 0.06 7.54 0.00 -0.80 -4.93 121.76 124.66 3dm5 s ALA 20 Ca 0.25 1.55 -0.31 0.00 0.00 0.00 0.00 51.96 53.45 3dm5 s ALA 20 Cb 0.20 -3.62 -0.16 0.00 0.00 0.00 0.00 23.12 19.54 3dm5 s ALA 20 CO 0.50 -0.99 1.47 0.66 0.00 0.00 0.00 175.76 177.40 3dm5 h SER 21 N 4.12 -1.08 -4.89 0.00 4.64 -1.90 -3.46 113.55 110.98 3dm5 h SER 21 Ca -0.48 0.07 -0.22 0.00 -0.47 0.00 0.00 61.79 60.68 3dm5 h SER 21 Cb 1.23 0.33 -0.15 0.00 -0.31 0.00 0.00 62.40 63.50 3dm5 h SER 21 CO 0.73 -0.61 -0.67 -0.94 -0.87 0.00 0.00 176.83 174.47 3dm5 s SER 22 N -3.86 0.84 -1.05 4.97 1.04 -1.26 -5.10 113.70 109.28 3dm5 s SER 22 Ca -0.16 -1.13 -0.09 0.00 0.48 0.00 0.00 55.95 55.05 3dm5 s SER 22 Cb 0.03 0.18 0.26 0.00 0.10 0.00 0.00 66.02 66.59 3dm5 s SER 22 CO 0.50 -0.60 1.03 -0.69 0.98 0.00 0.00 173.24 174.46 3dm5 s VAL 23 N -3.80 5.80 0.28 5.02 1.01 -1.26 -4.92 120.40 122.54 3dm5 s VAL 23 Ca 0.19 -3.33 -0.01 0.00 0.00 0.00 0.00 61.98 58.83 3dm5 s VAL 23 Cb 0.07 -4.50 0.06 0.00 0.00 0.00 0.00 36.38 32.00 3dm5 s VAL 23 CO -0.00 -1.15 0.39 -0.90 0.00 0.00 0.00 175.10 173.43 3dm5 n ASP 24 N 2.85 0.40 0.21 3.32 5.68 -1.26 -4.98 116.55 122.77 3dm5 n ASP 24 Ca 0.22 -1.36 0.10 0.00 -0.50 0.00 0.00 54.79 53.25 3dm5 n ASP 24 Cb 0.40 -0.26 0.23 0.00 -1.14 0.00 0.00 41.12 40.35 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 0.00 0.11 4.81 -2.00 -2.94 114.58 114.56 3dm5 h GLU 25 Ca -0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3dm5 h GLU 25 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3dm5 h GLU 25 CO 0.12 0.14 0.00 0.00 -0.73 0.00 0.00 179.01 178.54 3dm5 h ALA 26 N 1.86 1.00 0.00 2.92 0.00 -1.99 -2.06 119.26 121.00 3dm5 h ALA 26 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3dm5 h ALA 26 Cb 1.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3dm5 h ALA 26 CO 0.02 0.00 -0.79 1.25 0.00 0.00 0.00 179.25 179.73 3dm5 h LEU 27 N 0.00 0.00 -0.08 0.00 5.85 -1.87 -2.72 115.31 116.50 3dm5 h LEU 27 Ca 0.00 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.48 3dm5 h LEU 27 Cb 0.74 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.77 3dm5 h LEU 27 CO 0.00 0.71 -1.04 0.40 -0.34 0.00 0.00 178.44 178.17 3dm5 h ILE 28 N 0.00 1.41 -0.10 4.05 1.08 -1.52 -2.49 117.51 119.94 3dm5 h ILE 28 Ca -0.03 -2.58 -0.13 0.00 -0.39 0.00 0.00 64.86 61.74 3dm5 h ILE 28 Cb 1.57 2.56 -0.01 0.00 -3.07 0.00 0.00 36.82 37.87 3dm5 h ILE 28 CO 0.09 0.77 -0.49 0.11 -0.69 0.00 0.00 178.15 177.93 3dm5 h LYS 29 N 0.20 0.26 0.02 2.37 1.79 -1.42 0.06 116.57 119.85 3dm5 h LYS 29 Ca -0.10 -0.15 -0.23 0.00 -2.18 0.00 0.00 60.65 57.99 3dm5 h LYS 29 Cb 1.70 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.36 3dm5 h LYS 29 CO 0.18 0.70 -0.98 1.49 -1.08 0.00 0.00 179.45 179.77 3dm5 h GLU 30 N 0.21 0.36 -0.15 3.15 4.81 -1.52 -1.59 114.58 119.85 3dm5 h GLU 30 Ca 0.01 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 3dm5 h GLU 30 Cb 0.95 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 3dm5 h GLU 30 CO 0.08 1.10 0.05 1.25 -0.73 0.00 0.00 179.01 180.76 3dm5 h LEU 31 N 0.19 0.22 -1.29 1.64 5.85 -1.30 0.20 115.31 120.82 3dm5 h LEU 31 Ca -0.08 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 3dm5 h LEU 31 Cb 1.62 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.58 3dm5 h LEU 31 CO 0.17 0.37 0.01 0.58 -0.34 0.00 0.00 178.44 179.23 3dm5 h VAL 32 N 0.06 1.18 -0.04 1.05 2.07 -0.99 -0.56 116.25 119.03 3dm5 h VAL 32 Ca 0.05 -0.71 -0.25 0.00 0.82 0.00 0.00 66.70 66.60 3dm5 h VAL 32 Cb 0.23 0.93 0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3dm5 h VAL 32 CO -0.00 0.25 -0.96 0.03 0.02 0.00 0.00 177.57 176.90 3dm5 h ARG 33 N 0.47 0.72 -0.43 1.57 3.08 -1.15 -2.35 114.38 116.29 3dm5 h ARG 33 Ca 0.10 -0.72 -0.04 0.00 0.07 0.00 0.00 59.98 59.39 3dm5 h ARG 33 Cb 0.29 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 3dm5 h ARG 33 CO 0.01 1.31 0.09 -0.44 -1.07 0.00 0.00 179.97 179.86 3dm5 h ASP 34 N 0.42 0.61 -0.13 7.04 3.32 -0.24 -2.05 116.42 125.38 3dm5 h ASP 34 Ca -0.11 -0.10 -0.19 0.00 0.02 0.00 0.00 57.03 56.65 3dm5 h ASP 34 Cb 1.61 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 41.01 3dm5 h ASP 34 CO 0.19 0.62 -0.66 0.40 -1.72 0.00 0.00 179.24 178.07 3dm5 h ILE 35 N 0.64 1.32 -0.64 0.35 2.04 -1.09 -2.63 117.51 117.49 3dm5 h ILE 35 Ca 0.14 -1.91 0.03 0.00 1.00 0.00 0.00 64.86 64.13 3dm5 h ILE 35 Cb 0.27 2.08 -0.04 0.00 -0.74 0.00 0.00 36.82 38.39 3dm5 h ILE 35 CO -0.00 0.59 0.39 1.56 0.00 0.00 0.00 178.15 180.69 3dm5 h GLN 36 N 0.35 0.74 -0.39 2.37 4.20 -1.31 -0.98 115.11 120.10 3dm5 h GLN 36 Ca -0.05 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3dm5 h GLN 36 Cb 1.30 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 3dm5 h GLN 36 CO 0.14 0.49 0.24 0.00 -0.67 0.00 0.00 178.83 179.03 3dm5 h ARG 37 N 0.76 0.52 -0.58 1.46 3.08 -1.36 -0.28 114.38 117.98 3dm5 h ARG 37 Ca 0.26 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 3dm5 h ARG 37 Cb 0.04 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 3dm5 h ARG 37 CO -0.11 0.37 0.28 0.00 -1.07 0.00 0.00 179.97 179.44 3dm5 h ALA 38 N 1.12 0.75 -0.08 0.04 0.00 -1.22 -2.26 119.26 117.61 3dm5 h ALA 38 Ca 0.14 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3dm5 h ALA 38 Cb -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3dm5 h ALA 38 CO -0.03 0.31 -0.15 -0.07 0.00 0.00 0.00 179.25 179.31 3dm5 h LEU 39 N 0.79 0.27 -1.15 0.00 4.07 -1.07 -2.57 115.31 115.64 3dm5 h LEU 39 Ca 0.20 -0.56 0.05 0.00 0.08 0.00 0.00 57.88 57.65 3dm5 h LEU 39 Cb 0.11 -0.08 -0.05 0.00 1.08 0.00 0.00 40.66 41.72 3dm5 h LEU 39 CO -0.03 0.78 0.58 0.40 -1.08 0.00 0.00 178.44 179.10 3dm5 h ILE 40 N -0.24 1.10 0.00 1.22 1.08 -1.06 -0.94 117.51 118.68 3dm5 h ILE 40 Ca 0.00 -0.36 -0.04 0.00 -0.39 0.00 0.00 64.86 64.06 3dm5 h ILE 40 Cb 0.74 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.43 3dm5 h ILE 40 CO 0.03 0.19 -0.21 -0.61 -0.69 0.00 0.00 178.15 176.87 3dm5 h GLN 41 N 1.06 0.00 -0.55 2.37 4.15 -1.34 -1.57 115.11 119.24 3dm5 h GLN 41 Ca 0.37 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.79 3dm5 h GLN 41 Cb 0.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.81 3dm5 h GLN 41 CO -0.13 0.21 0.00 0.00 -1.93 0.00 0.00 178.83 176.98 3dm5 n ALA 42 N -2.28 2.74 -1.55 3.38 0.00 -0.42 -4.85 120.51 117.53 3dm5 n ALA 42 Ca -0.01 -0.61 -0.12 0.00 0.00 0.00 0.00 53.44 52.70 3dm5 n ALA 42 Cb 0.35 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 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 0.29 -4.37 -4.77 0.00 4.64 -0.59 -1.17 116.55 110.58 3dm5 n ASP 43 Ca 0.10 0.24 -0.41 0.00 -1.38 0.00 0.00 54.79 53.34 3dm5 n ASP 43 Cb 0.42 -3.09 -0.02 0.00 -1.04 0.00 0.00 41.12 37.39 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 -2.49 2.61 0.07 5.18 1.01 -0.80 -3.45 120.40 122.53 3dm5 s VAL 44 Ca 0.00 0.59 -0.35 0.00 0.00 0.00 0.00 61.98 62.22 3dm5 s VAL 44 Cb 0.00 -3.38 -0.14 0.00 0.00 0.00 0.00 36.38 32.86 3dm5 s VAL 44 CO 0.00 0.13 1.58 -3.20 0.00 0.00 0.00 175.10 173.61 3dm5 n ASN 45 N 1.09 2.76 -0.24 3.32 5.15 -1.26 -4.61 115.26 121.47 3dm5 n ASN 45 Ca 0.02 1.07 -0.03 0.00 -0.60 0.00 0.00 54.58 55.04 3dm5 n ASN 45 Cb 0.41 -1.34 0.15 0.00 -0.53 0.00 0.00 39.78 38.47 3dm5 n ASN 45 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 3dm5 h VAL 46 N 3.97 1.23 -0.77 3.44 3.04 -1.97 -1.22 116.25 123.97 3dm5 h VAL 46 Ca -0.46 -0.67 -0.01 0.00 -1.01 0.00 0.00 66.70 64.54 3dm5 h VAL 46 Cb 1.28 0.30 -0.04 0.00 -2.01 0.00 0.00 31.29 30.83 3dm5 h VAL 46 CO 0.88 0.28 0.43 -0.09 -1.01 0.00 0.00 177.57 178.06 3dm5 h ARG 47 N 1.05 1.08 -0.60 4.17 2.43 -2.00 -1.03 114.38 119.48 3dm5 h ARG 47 Ca 0.25 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 3dm5 h ARG 47 Cb 0.12 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 3dm5 h ARG 47 CO -0.03 0.79 0.35 -0.07 -1.51 0.00 0.00 179.97 179.51 3dm5 h LEU 48 N 1.07 0.56 -0.54 3.80 3.38 -1.63 -1.57 115.31 120.38 3dm5 h LEU 48 Ca 0.27 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 3dm5 h LEU 48 Cb 0.03 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3dm5 h LEU 48 CO -0.04 0.38 0.31 0.58 0.09 0.00 0.00 178.44 179.75 3dm5 h VAL 49 N 0.68 1.17 0.02 1.22 2.07 -0.72 1.00 116.25 121.69 3dm5 h VAL 49 Ca 0.25 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.37 3dm5 h VAL 49 Cb 0.07 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 3dm5 h VAL 49 CO -0.12 0.18 -0.20 -0.07 0.02 0.00 0.00 177.57 177.37 3dm5 h LEU 50 N 0.72 -0.60 -0.44 2.57 3.38 -0.94 0.23 115.31 120.23 3dm5 h LEU 50 Ca 0.19 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.30 3dm5 h LEU 50 Cb 0.02 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 3dm5 h LEU 50 CO -0.03 -0.27 0.17 -0.61 0.09 0.00 0.00 178.44 177.78 3dm5 h GLN 51 N -0.34 0.33 -0.36 1.13 4.15 -0.72 0.19 115.11 119.48 3dm5 h GLN 51 Ca 0.05 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.31 3dm5 h GLN 51 Cb 0.41 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 3dm5 h GLN 51 CO -0.18 0.22 -0.33 1.25 -1.93 0.00 0.00 178.83 177.86 3dm5 h LEU 52 N 0.34 0.92 0.00 -2.39 5.85 -0.67 -2.97 115.31 116.40 3dm5 h LEU 52 Ca 0.21 -0.46 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 3dm5 h LEU 52 Cb 0.19 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 3dm5 h LEU 52 CO -0.20 1.19 -0.19 0.00 -0.34 0.00 0.00 178.44 178.90 3dm5 h THR 53 N 0.67 0.19 -0.01 1.05 1.03 -0.08 -2.22 112.91 113.55 3dm5 h THR 53 Ca 0.06 -1.28 -0.09 0.00 -0.01 0.00 0.00 66.41 65.09 3dm5 h THR 53 Cb 0.92 2.06 0.01 0.00 -1.07 0.00 0.00 68.15 70.07 3dm5 h THR 53 CO 0.08 0.11 -0.35 0.03 -0.01 0.00 0.00 175.52 175.39 3dm5 h ARG 54 N 0.00 0.25 -0.62 0.00 3.08 -0.68 -2.50 114.38 113.91 3dm5 h ARG 54 Ca -0.00 -0.26 0.05 0.00 0.07 0.00 0.00 59.98 59.84 3dm5 h ARG 54 Cb 1.09 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 31.16 3dm5 h ARG 54 CO 0.01 0.96 0.34 1.49 -1.07 0.00 0.00 179.97 181.71 3dm5 h GLU 55 N -0.36 0.63 -1.00 0.04 4.57 -1.46 0.49 114.58 117.49 3dm5 h GLU 55 Ca -0.04 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.13 3dm5 h GLU 55 Cb 1.08 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 29.47 3dm5 h GLU 55 CO 0.07 0.42 0.66 0.82 -1.18 0.00 0.00 179.01 179.79 3dm5 h ILE 56 N 0.65 1.21 -0.03 2.32 2.04 -1.47 0.19 117.51 122.42 3dm5 h ILE 56 Ca 0.28 -0.45 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 3dm5 h ILE 56 Cb 0.16 -0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.03 3dm5 h ILE 56 CO -0.17 0.24 0.00 -0.61 0.00 0.00 0.00 178.15 177.61 3dm5 h GLN 57 N 1.30 0.05 0.70 2.37 4.15 -0.83 -2.79 115.11 120.06 3dm5 h GLN 57 Ca 0.38 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.76 3dm5 h GLN 57 Cb -0.06 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.62 3dm5 h GLN 57 CO -0.11 0.32 -0.43 -0.09 -1.93 0.00 0.00 178.83 176.59 3dm5 h ARG 58 N -0.24 -1.02 -0.48 1.69 2.43 -0.77 -0.36 114.38 115.63 3dm5 h ARG 58 Ca 0.01 0.07 0.14 0.00 -0.81 0.00 0.00 59.98 59.39 3dm5 h ARG 58 Cb 0.30 0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 3dm5 h ARG 58 CO 0.00 -0.68 0.59 0.00 -1.51 0.00 0.00 179.97 178.37 3dm5 h ARG 59 N -1.06 0.00 0.01 0.20 3.08 -1.03 0.45 114.38 116.03 3dm5 h ARG 59 Ca -0.09 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.63 3dm5 h ARG 59 Cb 0.85 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.84 3dm5 h ARG 59 CO 0.09 0.00 -1.97 0.00 -1.07 0.00 0.00 179.97 177.02 3dm5 n ALA 60 N -2.26 1.43 0.05 0.04 0.00 -0.99 -3.54 120.51 115.23 3dm5 n ALA 60 Ca 0.09 -0.93 -0.18 0.00 0.00 0.00 0.00 53.44 52.42 3dm5 n ALA 60 Cb 0.77 -0.61 -0.09 0.00 0.00 0.00 0.00 19.45 19.53 3dm5 n ALA 60 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3dm5 h LEU 61 N 0.01 0.81 -3.88 0.00 4.07 0.77 -3.38 115.31 113.70 3dm5 h LEU 61 Ca -0.39 -0.64 -0.53 0.00 0.08 0.00 0.00 57.88 56.39 3dm5 h LEU 61 Cb 2.08 -0.25 -0.43 0.00 1.08 0.00 0.00 40.66 43.14 3dm5 h LEU 61 CO 0.06 1.44 -0.83 -1.84 -1.08 0.00 0.00 178.44 176.19 3dm5 n GLU 62 N -3.83 3.49 -3.85 1.13 0.28 -0.24 -4.98 120.64 112.65 3dm5 n GLU 62 Ca -0.10 -4.14 -0.17 0.00 -0.16 0.00 0.00 57.16 52.59 3dm5 n GLU 62 Cb 0.87 -2.24 -0.16 0.00 1.43 0.00 0.00 31.44 31.34 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 -3.61 0.17 -0.16 3.44 2.12 -1.23 -4.94 118.70 114.50 3dm5 s GLU 63 Ca 0.49 0.14 -0.20 0.00 0.36 0.00 0.00 54.97 55.76 3dm5 s GLU 63 Cb 0.40 -0.43 -0.03 0.00 0.26 0.00 0.00 34.13 34.34 3dm5 s GLU 63 CO 0.03 -0.17 0.57 -1.59 -0.54 0.00 0.00 175.26 173.55 3dm5 s LYS 64 N 1.16 4.28 0.26 4.30 0.00 -1.26 -4.92 119.74 123.55 3dm5 s LYS 64 Ca -0.08 0.55 -0.31 0.00 0.00 0.00 0.00 55.97 56.13 3dm5 s LYS 64 Cb -0.13 -3.51 -0.12 0.00 0.00 0.00 0.00 37.83 34.06 3dm5 s LYS 64 CO -0.02 -0.06 1.57 -2.30 0.00 0.00 0.00 175.35 174.54 3dm5 n PRO 65 N 4.40 2.51 -0.70 1.78 -0.02 -1.26 -4.96 135.00 136.74 3dm5 n PRO 65 Ca -0.04 0.90 -0.33 0.00 -2.02 0.00 0.00 63.50 62.01 3dm5 n PRO 65 Cb 0.51 -2.66 0.16 0.00 -0.02 0.00 0.00 33.50 31.49 3dm5 n PRO 65 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3dm5 n PRO 66 N 2.46 -1.47 -1.87 0.52 -0.04 -1.26 -4.77 135.00 128.58 3dm5 n PRO 66 Ca 0.11 -0.41 -0.42 0.00 -0.04 0.00 0.00 63.50 62.73 3dm5 n PRO 66 Cb 0.35 -1.60 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 3dm5 n PRO 66 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dm5 s ALA 67 N -2.19 3.77 0.00 0.55 0.00 -1.26 -2.24 121.76 120.38 3dm5 s ALA 67 Ca 0.53 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.85 3dm5 s ALA 67 Cb -0.08 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.36 3dm5 s ALA 67 CO 0.65 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.84 3dm5 n GLY 68 N 3.94 0.77 3.49 0.00 0.00 -1.26 -5.04 105.19 107.09 3dm5 n GLY 68 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.85 3.72 0.91 -0.61 -1.09 -0.95 -5.12 121.20 115.21 3dm5 s ILE 69 Ca 0.00 -0.43 -0.12 0.00 -2.23 0.00 0.00 60.65 57.87 3dm5 s ILE 69 Cb 0.00 -2.60 0.14 0.00 -1.58 0.00 0.00 42.46 38.41 3dm5 s ILE 69 CO 0.00 0.52 1.14 -0.94 -1.23 0.00 0.00 174.94 174.43 3dm5 s SER 70 N 0.15 3.56 0.20 3.58 1.04 -1.26 -4.66 113.70 116.30 3dm5 s SER 70 Ca -0.03 0.93 -0.09 0.00 0.48 0.00 0.00 55.95 57.25 3dm5 s SER 70 Cb -0.14 -1.49 0.12 0.00 0.10 0.00 0.00 66.02 64.61 3dm5 s SER 70 CO 0.03 -2.52 1.74 0.11 0.98 0.00 0.00 173.24 173.59 3dm5 h LYS 71 N -1.48 1.09 0.11 4.02 1.57 -1.98 -2.57 116.57 117.34 3dm5 h LYS 71 Ca -0.50 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.08 3dm5 h LYS 71 Cb 1.33 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 3dm5 h LYS 71 CO 0.62 0.92 -0.25 -0.22 -0.57 0.00 0.00 179.45 179.95 3dm5 h LYS 72 N 1.04 -0.43 0.00 3.15 3.64 -1.93 -1.14 116.57 120.89 3dm5 h LYS 72 Ca 0.23 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 3dm5 h LYS 72 Cb 0.27 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3dm5 h LYS 72 CO -0.01 -0.29 -0.13 0.93 -2.27 0.00 0.00 179.45 177.68 3dm5 h GLU 73 N -0.45 0.00 0.07 1.90 5.08 -1.91 -2.13 114.58 117.14 3dm5 h GLU 73 Ca 0.03 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.14 3dm5 h GLU 73 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3dm5 h GLU 73 CO -0.14 0.13 -1.20 1.25 -1.00 0.00 0.00 179.01 178.04 3dm5 h HIS 74 N 0.00 0.25 -0.23 4.33 2.76 -1.02 -2.46 115.15 118.78 3dm5 h HIS 74 Ca -0.00 -0.18 -0.00 0.00 -2.20 0.00 0.00 60.37 57.98 3dm5 h HIS 74 Cb 0.43 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 3dm5 h HIS 74 CO 0.00 1.16 0.13 0.82 -1.30 0.00 0.00 177.93 178.73 3dm5 h ILE 75 N 0.04 1.11 -0.90 6.26 1.08 -0.61 0.72 117.51 125.22 3dm5 h ILE 75 Ca -0.10 -0.30 0.08 0.00 -0.39 0.00 0.00 64.86 64.14 3dm5 h ILE 75 Cb 1.89 0.90 -0.07 0.00 -3.07 0.00 0.00 36.82 36.47 3dm5 h ILE 75 CO 0.16 0.11 0.55 0.40 -0.69 0.00 0.00 178.15 178.68 3dm5 h ILE 76 N 0.26 1.00 -0.23 -0.67 1.08 -1.42 -0.77 117.51 116.77 3dm5 h ILE 76 Ca 0.08 -0.33 -0.14 0.00 -0.39 0.00 0.00 64.86 64.08 3dm5 h ILE 76 Cb 0.07 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 33.75 3dm5 h ILE 76 CO -0.01 0.18 -0.44 0.50 -0.69 0.00 0.00 178.15 177.68 3dm5 h LYS 77 N 0.97 0.58 0.64 2.37 3.11 -0.96 -2.01 116.57 121.27 3dm5 h LYS 77 Ca 0.41 -0.31 -0.03 0.00 -2.81 0.00 0.00 60.65 57.90 3dm5 h LYS 77 Cb 0.25 0.02 0.01 0.00 -1.00 0.00 0.00 32.23 31.51 3dm5 h LYS 77 CO -0.20 0.91 -0.31 0.82 -2.81 0.00 0.00 179.45 177.86 3dm5 h ILE 78 N 0.47 0.31 -0.74 2.00 2.04 -0.11 -1.41 117.51 120.07 3dm5 h ILE 78 Ca 0.03 -0.17 0.16 0.00 1.00 0.00 0.00 64.86 65.89 3dm5 h ILE 78 Cb 0.96 0.37 -0.11 0.00 -0.74 0.00 0.00 36.82 37.30 3dm5 h ILE 78 CO 0.09 0.02 0.18 0.58 0.00 0.00 0.00 178.15 179.02 3dm5 h VAL 79 N -0.98 0.51 -0.50 1.67 2.07 -1.12 -0.53 116.25 117.38 3dm5 h VAL 79 Ca -0.09 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 3dm5 h VAL 79 Cb 0.70 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3dm5 h VAL 79 CO 0.14 0.05 -0.04 0.22 0.02 0.00 0.00 177.57 177.97 3dm5 h TYR 80 N 0.27 1.00 0.00 1.57 5.03 -1.23 -1.93 116.97 121.68 3dm5 h TYR 80 Ca 0.42 -0.19 -0.20 0.00 2.58 0.00 0.00 58.73 61.34 3dm5 h TYR 80 Cb 0.71 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.72 3dm5 h TYR 80 CO -0.26 0.94 -0.88 1.05 -1.32 0.00 0.00 178.16 177.69 3dm5 h GLU 81 N 0.76 0.22 -0.10 1.82 4.11 -0.55 -2.20 114.58 118.64 3dm5 h GLU 81 Ca 0.14 -0.24 -0.00 0.00 0.07 0.00 0.00 59.36 59.32 3dm5 h GLU 81 Cb 0.57 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 3dm5 h GLU 81 CO 0.03 0.97 0.04 0.93 0.07 0.00 0.00 179.01 181.05 3dm5 h GLU 82 N 0.12 0.14 -0.92 1.06 4.39 -1.07 -1.14 114.58 117.16 3dm5 h GLU 82 Ca -0.05 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.64 3dm5 h GLU 82 Cb 1.51 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 30.09 3dm5 h GLU 82 CO 0.14 0.23 0.61 -0.07 -1.16 0.00 0.00 179.01 178.76 3dm5 h LEU 83 N 0.02 1.06 0.03 1.33 3.38 -1.38 0.28 115.31 120.02 3dm5 h LEU 83 Ca 0.03 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3dm5 h LEU 83 Cb 0.14 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3dm5 h LEU 83 CO -0.00 0.76 -0.16 0.74 0.09 0.00 0.00 178.44 179.87 3dm5 h THR 84 N 1.25 0.62 -0.55 0.22 2.02 -1.27 -0.27 112.91 114.93 3dm5 h THR 84 Ca 0.34 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.47 3dm5 h THR 84 Cb -0.14 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 3dm5 h THR 84 CO -0.08 0.00 0.15 0.11 0.37 0.00 0.00 175.52 176.08 3dm5 h LYS 85 N -0.27 0.83 -0.92 6.66 1.57 -0.82 0.28 116.57 123.90 3dm5 h LYS 85 Ca 0.04 -0.16 0.10 0.00 -1.87 0.00 0.00 60.65 58.77 3dm5 h LYS 85 Cb 0.33 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 3dm5 h LYS 85 CO -0.13 0.73 0.59 0.35 -0.57 0.00 0.00 179.45 180.42 3dm5 h PHE 86 N 0.80 0.99 -0.71 -1.35 3.57 0.05 -2.64 116.94 117.66 3dm5 h PHE 86 Ca 0.18 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.54 3dm5 h PHE 86 Cb 0.26 -0.32 -0.10 0.00 2.79 0.00 0.00 35.95 38.58 3dm5 h PHE 86 CO 0.02 0.44 0.22 1.28 -2.23 0.00 0.00 178.31 178.03 3dm5 n LEU 87 N -4.55 6.09 0.00 0.59 4.77 -0.16 -4.70 117.00 119.05 3dm5 n LEU 87 Ca 0.16 -3.16 0.00 0.00 -0.03 0.00 0.00 56.01 52.98 3dm5 n LEU 87 Cb 0.32 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 3dm5 n LEU 87 CO 0.30 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 3dm5 n GLY 88 N 0.04 2.36 4.35 -0.72 0.00 -0.99 -4.71 105.19 105.51 3dm5 n GLY 88 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.45 0.00 -3.74 2.61 -1.04 0.94 -4.82 114.28 107.78 3dm5 n THR 89 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 3dm5 n THR 89 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 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 0.79 0.39 -2.82 -1.05 -1.26 -4.37 118.70 110.38 3dm5 s GLU 90 Ca 0.00 -0.37 -0.27 0.00 -0.15 0.00 0.00 54.97 54.18 3dm5 s GLU 90 Cb 0.00 0.35 -0.09 0.00 -0.44 0.00 0.00 34.13 33.95 3dm5 s GLU 90 CO 0.00 -0.25 1.31 0.00 0.95 0.00 0.00 175.26 177.27 3dm5 s ALA 91 N -2.15 3.32 -0.47 -0.84 0.00 -1.26 -4.66 121.76 115.70 3dm5 s ALA 91 Ca -0.08 1.25 0.03 0.00 0.00 0.00 0.00 51.96 53.16 3dm5 s ALA 91 Cb -0.02 -3.49 0.15 0.00 0.00 0.00 0.00 23.12 19.76 3dm5 s ALA 91 CO -0.01 -0.79 0.31 0.15 0.00 0.00 0.00 175.76 175.42 3dm5 s LYS 92 N -2.14 1.33 0.85 0.00 -0.14 -1.26 -5.06 119.74 113.32 3dm5 s LYS 92 Ca 0.55 -2.21 -0.11 0.00 -1.36 0.00 0.00 55.97 52.84 3dm5 s LYS 92 Cb -0.39 -2.19 0.10 0.00 -1.68 0.00 0.00 37.83 33.68 3dm5 s LYS 92 CO 0.50 -1.25 1.09 -1.25 -0.76 0.00 0.00 175.35 173.68 3dm5 s PRO 93 N 0.01 1.62 0.31 -1.68 0.04 -1.26 -4.77 135.00 129.27 3dm5 s PRO 93 Ca 0.23 0.95 -0.28 0.00 0.04 0.00 0.00 61.00 61.94 3dm5 s PRO 93 Cb -0.13 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 3dm5 s PRO 93 CO -0.08 -2.03 1.09 0.42 0.04 0.00 0.00 177.00 176.44 3dm5 s ILE 94 N -2.92 3.53 -0.25 0.56 1.01 -1.26 -5.02 121.20 116.85 3dm5 s ILE 94 Ca 0.63 1.45 -0.07 0.00 0.00 0.00 0.00 60.65 62.65 3dm5 s ILE 94 Cb -0.18 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 3dm5 s ILE 94 CO 0.57 0.28 0.07 -1.61 0.00 0.00 0.00 174.94 174.25 3dm5 s GLU 95 N -1.68 3.68 -0.43 2.79 2.02 -1.26 -5.05 118.70 118.76 3dm5 s GLU 95 Ca 0.47 -0.47 -0.12 0.00 0.02 0.00 0.00 54.97 54.87 3dm5 s GLU 95 Cb -0.30 -3.33 0.06 0.00 0.10 0.00 0.00 34.13 30.66 3dm5 s GLU 95 CO 0.38 -0.17 0.30 0.42 0.02 0.00 0.00 175.26 176.21 3dm5 s ILE 96 N 1.57 4.78 0.00 -1.63 -1.09 -1.26 -4.81 121.20 118.75 3dm5 s ILE 96 Ca 0.06 -1.08 0.00 0.00 -2.23 0.00 0.00 60.65 57.40 3dm5 s ILE 96 Cb -0.15 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 3dm5 s ILE 96 CO 0.04 -0.45 0.00 2.29 -1.23 0.00 0.00 174.94 175.58 3dm5 n LYS 97 N 5.06 0.00 -1.44 2.79 2.85 -1.26 -5.08 118.16 121.08 3dm5 n LYS 97 Ca -0.11 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 56.81 3dm5 n LYS 97 Cb 0.44 -0.22 0.09 0.00 -0.65 0.00 0.00 35.03 34.69 3dm5 n LYS 97 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3dm5 s GLU 98 N -1.95 2.22 0.64 -1.58 2.02 -1.26 -5.00 118.70 113.79 3dm5 s GLU 98 Ca 0.00 1.60 -0.11 0.00 0.02 0.00 0.00 54.97 56.48 3dm5 s GLU 98 Cb 0.00 -1.86 0.16 0.00 0.10 0.00 0.00 34.13 32.53 3dm5 s GLU 98 CO 0.00 -1.74 0.52 1.17 0.02 0.00 0.00 175.26 175.24 3dm5 n LYS 99 N -2.83 -2.37 0.00 1.61 3.00 -1.26 -3.46 118.16 112.84 3dm5 n LYS 99 Ca 0.12 -0.85 0.00 0.00 -0.00 0.00 0.00 58.31 57.59 3dm5 n LYS 99 Cb 0.51 -0.85 0.00 0.00 0.00 0.00 0.00 35.03 34.69 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 -3.33 0.00 -2.14 1.64 -0.02 -1.23 -4.74 135.00 125.17 3dm5 n PRO 100 Ca 0.07 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.13 3dm5 n PRO 100 Cb 0.30 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.75 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 0.00 3.79 -0.20 3.45 2.01 -0.70 -4.86 115.64 119.13 3dm5 s THR 101 Ca 0.00 0.95 -0.07 0.00 0.31 0.00 0.00 61.69 62.88 3dm5 s THR 101 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 3dm5 s THR 101 CO 0.00 -0.11 0.06 -0.63 -0.69 0.00 0.00 174.62 173.24 3dm5 s ILE 102 N 4.05 4.57 -0.20 1.82 1.01 -1.26 -1.91 121.20 129.29 3dm5 s ILE 102 Ca 0.68 -0.10 -0.03 0.00 0.00 0.00 0.00 60.65 61.19 3dm5 s ILE 102 Cb -0.29 -3.08 -0.01 0.00 0.01 0.00 0.00 42.46 39.09 3dm5 s ILE 102 CO 0.25 0.43 -0.06 -0.76 0.00 0.00 0.00 174.94 174.80 3dm5 s LEU 103 N 0.73 2.89 -0.25 2.97 1.43 0.17 -1.30 118.68 125.31 3dm5 s LEU 103 Ca 0.03 -0.36 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 3dm5 s LEU 103 Cb -0.13 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 3dm5 s LEU 103 CO 0.02 0.03 0.23 -0.22 0.23 0.00 0.00 176.35 176.64 3dm5 s LEU 104 N 1.16 4.09 -0.19 1.79 2.96 -0.21 -0.46 118.68 127.81 3dm5 s LEU 104 Ca 0.02 0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 54.03 3dm5 s LEU 104 Cb -0.14 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 3dm5 s LEU 104 CO -0.01 -0.02 0.00 -0.04 -1.32 0.00 0.00 176.35 174.97 3dm5 s MET 105 N 1.40 3.67 0.24 1.98 -1.94 -0.11 0.37 119.30 124.91 3dm5 s MET 105 Ca 0.10 -0.50 0.05 0.00 -1.71 0.00 0.00 55.69 53.63 3dm5 s MET 105 Cb -0.15 -3.08 -0.05 0.00 2.01 0.00 0.00 34.83 33.56 3dm5 s MET 105 CO 0.07 0.08 -0.04 0.14 -0.01 0.00 0.00 175.02 175.26 3dm5 s VAL 106 N 0.84 1.34 0.00 -6.03 -7.23 0.18 -2.39 120.40 107.11 3dm5 s VAL 106 Ca 0.01 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 3dm5 s VAL 106 Cb -0.14 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.47 3dm5 s VAL 106 CO 0.02 -0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.06 3dm5 n GLY 107 N -0.47 1.68 3.95 2.32 0.00 -1.26 -0.57 105.19 110.84 3dm5 n GLY 107 Ca -0.06 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 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 4.80 0.27 -0.61 -4.36 -1.26 -3.95 121.20 114.09 3dm5 s ILE 108 Ca 0.00 -0.61 -0.30 0.00 -0.26 0.00 0.00 60.65 59.48 3dm5 s ILE 108 Cb 0.00 -3.74 -0.13 0.00 1.25 0.00 0.00 42.46 39.84 3dm5 s ILE 108 CO 0.00 -0.43 1.31 0.00 0.24 0.00 0.00 174.94 176.06 3dm5 n GLN 109 N -1.77 1.93 -0.07 0.37 10.64 -0.49 -1.95 117.38 126.04 3dm5 n GLN 109 Ca -0.04 0.68 0.00 0.00 -1.83 0.00 0.00 57.00 55.82 3dm5 n GLN 109 Cb 0.57 -2.27 0.00 0.00 -0.86 0.00 0.00 30.24 27.67 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 1.62 2.23 0.15 2.61 0.00 -1.26 -4.87 105.19 105.67 3dm5 n GLY 110 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 3dm5 n GLY 110 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dm5 n SER 111 N 0.00 0.60 0.00 1.61 3.41 -0.82 -4.85 113.62 113.57 3dm5 n SER 111 Ca 0.00 0.73 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 3dm5 n SER 111 Cb 0.00 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 3dm5 n SER 111 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dm5 n GLY 112 N -0.85 0.82 0.11 5.00 0.00 -1.26 -3.95 105.19 105.06 3dm5 n GLY 112 Ca -0.00 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.17 -0.65 1.61 3.64 -1.89 -1.91 116.57 117.20 3dm5 h LYS 113 Ca 0.00 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3dm5 h LYS 113 Cb 0.11 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 3dm5 h LYS 113 CO 0.00 0.05 0.42 1.15 -2.27 0.00 0.00 179.45 178.80 3dm5 h THR 114 N -0.37 1.13 -0.79 1.00 2.02 -1.97 0.23 112.91 114.16 3dm5 h THR 114 Ca -0.02 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 66.90 3dm5 h THR 114 Cb 0.30 0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 66.87 3dm5 h THR 114 CO 0.03 0.16 0.51 0.74 0.37 0.00 0.00 175.52 177.33 3dm5 h THR 115 N 0.85 1.14 -0.53 3.16 2.02 -1.97 -2.76 112.91 114.83 3dm5 h THR 115 Ca 0.25 -0.35 -0.11 0.00 0.77 0.00 0.00 66.41 66.97 3dm5 h THR 115 Cb -0.05 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.38 3dm5 h THR 115 CO -0.07 0.18 -0.12 0.74 0.37 0.00 0.00 175.52 176.62 3dm5 h THR 116 N 1.01 1.27 -0.59 3.16 2.02 -0.29 0.39 112.91 119.88 3dm5 h THR 116 Ca 0.31 -1.27 0.12 0.00 0.77 0.00 0.00 66.41 66.34 3dm5 h THR 116 Cb -0.02 0.98 -0.09 0.00 -1.74 0.00 0.00 68.15 67.28 3dm5 h THR 116 CO -0.10 0.45 0.06 0.58 0.37 0.00 0.00 175.52 176.87 3dm5 h VAL 117 N 0.89 0.58 -0.07 3.16 2.07 -0.43 -1.74 116.25 120.70 3dm5 h VAL 117 Ca 0.14 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 3dm5 h VAL 117 Cb 0.68 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3dm5 h VAL 117 CO 0.05 0.03 -0.01 0.00 0.02 0.00 0.00 177.57 177.66 3dm5 h ALA 118 N 1.50 0.10 -0.85 1.67 0.00 -1.06 -1.81 119.26 118.81 3dm5 h ALA 118 Ca 0.31 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.15 3dm5 h ALA 118 Cb 0.48 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3dm5 h ALA 118 CO -0.45 -0.21 0.55 0.87 0.00 0.00 0.00 179.25 180.01 3dm5 h LYS 119 N -0.17 0.68 0.03 0.00 1.57 -0.68 -1.32 116.57 116.68 3dm5 h LYS 119 Ca 0.02 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 3dm5 h LYS 119 Cb 0.37 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.54 3dm5 h LYS 119 CO 0.01 0.45 -0.47 1.25 -0.57 0.00 0.00 179.45 180.11 3dm5 h LEU 120 N 0.70 0.36 -0.59 2.94 5.85 -1.23 0.08 115.31 123.42 3dm5 h LEU 120 Ca 0.41 -0.83 0.12 0.00 0.84 0.00 0.00 57.88 58.41 3dm5 h LEU 120 Cb 0.60 -0.11 -0.12 0.00 0.37 0.00 0.00 40.66 41.40 3dm5 h LEU 120 CO -0.17 1.15 -0.22 0.00 -0.34 0.00 0.00 178.44 178.87 3dm5 h ALA 121 N 0.21 0.24 -0.70 1.25 0.00 -1.03 -1.50 119.26 117.74 3dm5 h ALA 121 Ca -0.07 0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3dm5 h ALA 121 Cb 1.26 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 19.57 3dm5 h ALA 121 CO 0.09 -0.52 0.44 -0.09 0.00 0.00 0.00 179.25 179.18 3dm5 h ARG 122 N -0.07 0.83 -0.68 0.00 1.12 -1.16 0.42 114.38 114.85 3dm5 h ARG 122 Ca 0.27 -0.05 0.14 0.00 -1.11 0.00 0.00 59.98 59.23 3dm5 h ARG 122 Cb 0.49 -0.19 -0.10 0.00 -0.01 0.00 0.00 29.97 30.17 3dm5 h ARG 122 CO -0.64 0.55 0.15 -0.92 -3.11 0.00 0.00 179.97 176.00 3dm5 h TYR 123 N 0.86 0.23 0.00 2.20 3.20 0.06 0.62 116.97 124.14 3dm5 h TYR 123 Ca 0.28 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.19 3dm5 h TYR 123 Cb 0.03 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.30 3dm5 h TYR 123 CO -0.04 -0.06 -0.00 0.74 -1.64 0.00 0.00 178.16 177.15 3dm5 h PHE 124 N 0.26 -0.00 -0.64 -3.82 0.05 -1.00 -3.28 116.94 108.51 3dm5 h PHE 124 Ca 0.37 -0.00 0.13 0.00 3.82 0.00 0.00 57.97 62.29 3dm5 h PHE 124 Cb 0.59 0.00 -0.11 0.00 2.00 0.00 0.00 35.95 38.44 3dm5 h PHE 124 CO -0.26 0.90 -0.02 0.37 -0.18 0.00 0.00 178.31 179.11 3dm5 h GLN 125 N -0.96 0.10 0.00 1.51 4.15 -0.83 0.34 115.11 119.42 3dm5 h GLN 125 Ca -0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3dm5 h GLN 125 Cb 0.90 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.57 3dm5 h GLN 125 CO 0.00 0.06 0.19 -0.22 -1.93 0.00 0.00 178.83 176.93 3dm5 h LYS 126 N 0.10 0.00 -0.60 1.69 3.64 -0.96 -0.49 116.57 119.96 3dm5 h LYS 126 Ca 0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3dm5 h LYS 126 Cb 0.54 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3dm5 h LYS 126 CO -0.56 0.00 0.00 0.54 -2.27 0.00 0.00 179.45 177.16 3dm5 n ARG 127 N -2.97 2.72 0.00 1.90 1.74 0.12 -4.94 116.66 115.23 3dm5 n ARG 127 Ca -0.02 -2.45 0.00 0.00 -0.77 0.00 0.00 57.85 54.60 3dm5 n ARG 127 Cb 0.25 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 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 1.32 1.34 3.81 -0.13 0.00 -0.19 -5.08 105.19 106.26 3dm5 n GLY 128 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.13 3.19 -0.17 1.61 2.02 -1.11 -4.99 117.35 115.77 3dm5 s TYR 129 Ca 0.00 1.58 -0.20 0.00 -0.37 0.00 0.00 57.07 58.08 3dm5 s TYR 129 Cb 0.00 -2.93 -0.03 0.00 -0.40 0.00 0.00 41.96 38.60 3dm5 s TYR 129 CO 0.00 -0.43 0.59 0.21 -1.57 0.00 0.00 175.55 174.34 3dm5 s LYS 130 N -3.30 4.25 0.02 -0.62 2.20 -1.26 -4.10 119.74 116.93 3dm5 s LYS 130 Ca 0.64 0.57 0.08 0.00 -0.36 0.00 0.00 55.97 56.89 3dm5 s LYS 130 Cb -0.12 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.64 3dm5 s LYS 130 CO 0.18 -0.13 -0.22 0.08 -0.36 0.00 0.00 175.35 174.90 3dm5 s VAL 131 N 1.54 1.79 -0.01 4.02 1.01 -1.26 -0.63 120.40 126.86 3dm5 s VAL 131 Ca 0.28 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 61.12 3dm5 s VAL 131 Cb -0.16 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.70 3dm5 s VAL 131 CO 0.11 0.33 -0.04 -0.83 0.00 0.00 0.00 175.10 174.67 3dm5 s GLY 132 N -0.97 0.27 -0.08 4.51 0.00 -0.76 -3.64 107.32 106.65 3dm5 s GLY 132 Ca 0.09 -0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.70 3dm5 s GLY 132 CO 0.01 0.06 -0.08 -1.34 0.00 0.00 0.00 173.10 171.75 3dm5 s VAL 133 N 0.25 3.61 -0.28 1.40 -7.23 -0.18 -1.61 120.40 116.35 3dm5 s VAL 133 Ca -0.03 -0.51 -0.09 0.00 -1.81 0.00 0.00 61.98 59.55 3dm5 s VAL 133 Cb -0.06 -2.48 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 3dm5 s VAL 133 CO -0.00 0.58 0.12 -0.69 -0.31 0.00 0.00 175.10 174.80 3dm5 s VAL 134 N -0.60 4.54 -0.61 1.32 1.01 -0.14 -0.07 120.40 125.85 3dm5 s VAL 134 Ca 0.09 -0.28 -0.20 0.00 0.00 0.00 0.00 61.98 61.59 3dm5 s VAL 134 Cb -0.12 -3.23 0.09 0.00 0.00 0.00 0.00 36.38 33.12 3dm5 s VAL 134 CO 0.02 0.19 0.78 0.00 0.00 0.00 0.00 175.10 176.08 3dm5 n SER 136 N 6.74 4.49 -4.55 0.00 3.41 -0.01 -4.40 113.62 119.30 3dm5 n SER 136 Ca -0.08 -3.21 -0.42 0.00 -0.26 0.00 0.00 58.87 54.90 3dm5 n SER 136 Cb 0.43 -0.69 -0.02 0.00 -0.26 0.00 0.00 64.21 63.68 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 -1.37 6.61 0.03 4.04 -1.08 -0.97 -3.63 116.67 120.30 3dm5 s ASP 137 Ca 0.51 -1.79 0.27 0.00 -0.52 0.00 0.00 52.55 51.02 3dm5 s ASP 137 Cb 0.42 -2.55 0.85 0.00 -1.46 0.00 0.00 42.92 40.18 3dm5 s ASP 137 CO 0.11 -1.36 1.68 0.35 0.52 0.00 0.00 175.17 176.47 3dm5 n THR 138 N 6.56 0.10 0.03 1.71 -2.24 -1.26 -3.95 114.28 115.22 3dm5 n THR 138 Ca 0.36 -0.06 -0.19 0.00 -2.27 0.00 0.00 64.05 61.89 3dm5 n THR 138 Cb 0.49 -0.22 -0.14 0.00 -2.10 0.00 0.00 70.33 68.36 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 0.00 0.45 -2.59 4.78 7.01 -1.88 -3.38 115.95 120.34 3dm5 h TRP 139 Ca 0.00 -0.33 -0.60 0.00 2.11 0.00 0.00 58.89 60.07 3dm5 h TRP 139 Cb 0.55 -0.02 -0.41 0.00 -2.10 0.00 0.00 29.16 27.18 3dm5 h TRP 139 CO 0.00 1.31 -0.68 2.89 -2.79 0.00 0.00 178.44 179.17 3dm5 n ARG 140 N -4.17 1.78 -1.69 2.65 1.85 -1.26 -5.00 116.66 110.82 3dm5 n ARG 140 Ca -0.15 -4.28 -0.43 0.00 -1.00 0.00 0.00 57.85 51.98 3dm5 n ARG 140 Cb 0.79 -2.10 -0.01 0.00 -1.05 0.00 0.00 32.46 30.08 3dm5 n ARG 140 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 3dm5 n PRO 141 N 1.62 2.12 0.00 2.89 -0.02 -1.25 -2.01 135.00 138.35 3dm5 n PRO 141 Ca 0.25 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 3dm5 n PRO 141 Cb 0.40 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3dm5 n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dm5 n GLY 142 N 1.27 1.00 0.28 -1.23 0.00 -1.26 -4.92 105.19 100.32 3dm5 n GLY 142 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 3dm5 n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dm5 h ALA 143 N 0.00 0.77 0.01 4.61 0.00 -1.73 0.39 119.26 123.31 3dm5 h ALA 143 Ca 0.00 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.70 3dm5 h ALA 143 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3dm5 h ALA 143 CO 0.00 0.48 -0.11 -0.92 0.00 0.00 0.00 179.25 178.70 3dm5 h TYR 144 N 0.84 -0.28 0.00 0.00 3.20 -1.88 -0.81 116.97 118.04 3dm5 h TYR 144 Ca 0.18 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 3dm5 h TYR 144 Cb 0.36 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 3dm5 h TYR 144 CO 0.03 -0.17 -0.25 0.45 -1.64 0.00 0.00 178.16 176.58 3dm5 h HIS 145 N -0.19 0.00 -0.46 -3.82 3.86 -1.95 -1.57 115.15 111.01 3dm5 h HIS 145 Ca 0.04 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.16 3dm5 h HIS 145 Cb 0.24 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 3dm5 h HIS 145 CO -0.17 0.25 -0.06 0.37 0.86 0.00 0.00 177.93 179.18 3dm5 h GLN 146 N 0.00 0.80 -0.10 2.45 4.15 -0.47 0.21 115.11 122.15 3dm5 h GLN 146 Ca -0.00 -0.24 -0.21 0.00 0.77 0.00 0.00 58.65 58.96 3dm5 h GLN 146 Cb 0.64 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.25 3dm5 h GLN 146 CO 0.03 0.85 -0.78 -0.07 -1.93 0.00 0.00 178.83 176.92 3dm5 h LEU 147 N 0.74 0.70 -0.02 -2.39 3.38 -0.61 -1.49 115.31 115.62 3dm5 h LEU 147 Ca 0.13 -0.47 0.03 0.00 0.09 0.00 0.00 57.88 57.66 3dm5 h LEU 147 Cb 0.53 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 3dm5 h LEU 147 CO 0.03 1.25 -0.17 0.03 0.09 0.00 0.00 178.44 179.66 3dm5 h ARG 148 N 0.39 -0.26 -0.44 1.13 2.47 -1.13 0.15 114.38 116.68 3dm5 h ARG 148 Ca -0.05 0.02 0.08 0.00 -1.26 0.00 0.00 59.98 58.77 3dm5 h ARG 148 Cb 1.39 0.06 -0.07 0.00 -1.65 0.00 0.00 29.97 29.70 3dm5 h ARG 148 CO 0.15 -0.17 0.03 0.37 0.56 0.00 0.00 179.97 180.91 3dm5 h GLN 149 N -0.27 0.15 0.03 0.04 4.15 -0.43 -0.13 115.11 118.64 3dm5 h GLN 149 Ca 0.06 -0.01 -0.22 0.00 0.77 0.00 0.00 58.65 59.26 3dm5 h GLN 149 Cb 0.35 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 3dm5 h GLN 149 CO -0.18 0.10 -0.97 -0.07 -1.93 0.00 0.00 178.83 175.77 3dm5 h LEU 150 N 0.15 0.30 0.00 -2.39 3.38 -1.15 -3.39 115.31 112.20 3dm5 h LEU 150 Ca 0.22 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3dm5 h LEU 150 Cb 0.31 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3dm5 h LEU 150 CO -0.34 1.10 -1.92 0.18 0.09 0.00 0.00 178.44 177.56 3dm5 n LEU 151 N -3.61 0.00 -0.36 1.67 4.77 0.51 -4.61 117.00 115.36 3dm5 n LEU 151 Ca -0.05 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.94 3dm5 n LEU 151 Cb 0.87 0.04 0.16 0.00 -2.33 0.00 0.00 43.42 42.15 3dm5 n LEU 151 CO 0.49 0.04 1.28 0.44 -1.33 0.00 0.00 177.39 178.31 3dm5 h ASP 152 N 0.00 1.07 0.06 -1.43 3.32 -1.21 -0.89 116.42 117.34 3dm5 h ASP 152 Ca -0.04 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3dm5 h ASP 152 Cb 1.00 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.31 3dm5 h ASP 152 CO 0.00 0.72 0.00 -2.11 -1.72 0.00 0.00 179.24 176.13 3dm5 n ARG 153 N -4.45 0.14 0.00 3.56 1.85 -1.26 -0.86 116.66 115.63 3dm5 n ARG 153 Ca 0.14 0.12 0.03 0.00 -1.00 0.00 0.00 57.85 57.14 3dm5 n ARG 153 Cb 0.12 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.04 3dm5 n ARG 153 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3dm5 n TYR 154 N -1.15 0.00 -2.92 2.89 4.01 -0.35 -4.99 117.16 114.65 3dm5 n TYR 154 Ca 0.04 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.56 3dm5 n TYR 154 Cb 0.03 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.08 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 0.11 -1.73 -2.82 -0.72 8.25 -0.04 -4.94 115.22 113.34 3dm5 n HIS 155 Ca 0.03 0.38 -0.42 0.00 -0.26 0.00 0.00 57.72 57.44 3dm5 n HIS 155 Cb 0.13 -3.99 -0.04 0.00 1.12 0.00 0.00 29.99 27.22 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 -3.06 4.65 0.13 1.59 1.01 -1.24 -5.01 121.20 119.27 3dm5 s ILE 156 Ca 0.24 1.32 -0.34 0.00 0.00 0.00 0.00 60.65 61.87 3dm5 s ILE 156 Cb -0.11 -4.28 -0.14 0.00 0.01 0.00 0.00 42.46 37.94 3dm5 s ILE 156 CO 0.30 -0.41 1.58 1.21 0.00 0.00 0.00 174.94 177.62 3dm5 n GLU 157 N 6.57 2.05 -4.07 2.79 4.07 -1.24 -4.73 120.64 126.09 3dm5 n GLU 157 Ca 0.07 0.74 -0.32 0.00 -0.06 0.00 0.00 57.16 57.59 3dm5 n GLU 157 Cb 0.48 -2.50 -0.15 0.00 -0.06 0.00 0.00 31.44 29.20 3dm5 n GLU 157 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 3dm5 s VAL 158 N 1.18 2.20 -0.06 6.31 1.01 -1.26 -1.01 120.40 128.77 3dm5 s VAL 158 Ca 0.81 -1.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 3dm5 s VAL 158 Cb -0.71 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 3dm5 s VAL 158 CO 0.40 0.02 0.37 0.12 0.00 0.00 0.00 175.10 176.02 3dm5 s PHE 159 N 1.13 3.63 0.03 5.22 5.36 0.90 -4.98 117.98 129.26 3dm5 s PHE 159 Ca -0.07 0.86 -0.28 0.00 -0.96 0.00 0.00 56.93 56.48 3dm5 s PHE 159 Cb -0.19 -2.31 0.10 0.00 -0.34 0.00 0.00 43.02 40.28 3dm5 s PHE 159 CO -0.06 0.49 1.23 0.20 -1.46 0.00 0.00 175.22 175.62 3dm5 s GLY 160 N -0.49 -0.21 -0.38 13.12 0.00 -1.26 0.45 107.32 118.54 3dm5 s GLY 160 Ca 0.22 0.25 0.06 0.00 0.00 0.00 0.00 44.72 45.26 3dm5 s GLY 160 CO 0.10 2.48 0.56 0.21 0.00 0.00 0.00 173.10 176.46 3dm5 s ASN 161 N -3.35 -0.93 0.00 1.64 3.84 -1.26 -5.00 114.94 109.88 3dm5 s ASN 161 Ca 0.21 -0.77 0.00 0.00 0.21 0.00 0.00 52.86 52.51 3dm5 s ASN 161 Cb 0.01 1.66 0.00 0.00 -0.55 0.00 0.00 41.25 42.38 3dm5 s ASN 161 CO -0.01 -0.22 0.72 -0.81 -2.79 0.00 0.00 177.10 174.00 3dm5 n PRO 162 N 4.58 0.00 -0.05 0.43 -0.05 -1.26 -1.07 135.00 137.58 3dm5 n PRO 162 Ca 0.10 0.24 0.02 0.00 -0.05 0.00 0.00 63.50 63.80 3dm5 n PRO 162 Cb 0.54 -1.52 -0.16 0.00 -0.05 0.00 0.00 33.50 32.31 3dm5 n PRO 162 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 175.50 176.49 3dm5 n GLN 163 N -1.22 0.67 -1.79 0.54 1.13 -1.26 -4.94 117.38 110.51 3dm5 n GLN 163 Ca 0.00 -0.11 -0.42 0.00 -1.94 0.00 0.00 57.00 54.53 3dm5 n GLN 163 Cb 0.02 -1.52 -0.03 0.00 0.11 0.00 0.00 30.24 28.82 3dm5 n GLN 163 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3dm5 s GLU 164 N -3.05 4.15 -0.01 -1.09 2.56 -0.23 -4.91 118.70 116.11 3dm5 s GLU 164 Ca -0.09 2.54 0.13 0.00 0.00 0.00 0.00 54.97 57.55 3dm5 s GLU 164 Cb 0.10 -3.09 -0.17 0.00 2.00 0.00 0.00 34.13 32.97 3dm5 s GLU 164 CO 0.87 -0.71 0.42 1.17 -0.56 0.00 0.00 175.26 176.45 3dm5 n LYS 165 N 3.90 1.68 -3.35 4.30 0.00 -1.26 -4.83 118.16 118.60 3dm5 n LYS 165 Ca 0.15 -0.06 -0.40 0.00 0.00 0.00 0.00 58.31 58.01 3dm5 n LYS 165 Cb 0.36 -1.20 -0.09 0.00 0.00 0.00 0.00 35.03 34.11 3dm5 n LYS 165 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3dm5 s ASP 166 N -2.81 6.29 0.03 3.14 -1.08 -1.26 -4.97 116.67 116.01 3dm5 s ASP 166 Ca 0.00 0.28 -0.20 0.00 -0.52 0.00 0.00 52.55 52.11 3dm5 s ASP 166 Cb 0.09 -2.23 -0.15 0.00 -1.46 0.00 0.00 42.92 39.17 3dm5 s ASP 166 CO 0.53 -0.24 1.31 0.00 0.52 0.00 0.00 175.17 177.29 3dm5 h ALA 167 N 8.18 0.20 -0.42 3.66 0.00 -1.90 -1.83 119.26 127.15 3dm5 h ALA 167 Ca -0.31 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 3dm5 h ALA 167 Cb 1.15 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3dm5 h ALA 167 CO 0.67 0.11 0.15 0.82 0.00 0.00 0.00 179.25 181.01 3dm5 h ILE 168 N -0.05 1.21 -0.17 0.00 1.08 -1.94 -1.88 117.51 115.76 3dm5 h ILE 168 Ca 0.01 -0.66 0.00 0.00 -0.39 0.00 0.00 64.86 63.83 3dm5 h ILE 168 Cb 0.74 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 3dm5 h ILE 168 CO 0.04 0.24 0.11 0.50 -0.69 0.00 0.00 178.15 178.35 3dm5 h LYS 169 N 0.53 0.22 -0.86 2.37 3.11 -1.98 -0.67 116.57 119.29 3dm5 h LYS 169 Ca 0.14 -0.01 -0.03 0.00 -2.81 0.00 0.00 60.65 57.93 3dm5 h LYS 169 Cb 0.22 -0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.36 3dm5 h LYS 169 CO -0.01 0.14 0.41 1.25 -2.81 0.00 0.00 179.45 178.44 3dm5 h LEU 170 N 0.22 1.12 -0.11 5.20 6.46 -1.22 0.00 115.31 126.99 3dm5 h LEU 170 Ca 0.06 -0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 3dm5 h LEU 170 Cb -0.02 -0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 39.62 3dm5 h LEU 170 CO -0.02 0.94 0.00 0.00 -0.62 0.00 0.00 178.44 178.75 3dm5 h ALA 171 N 1.22 0.15 0.40 1.25 0.00 -0.99 -0.61 119.26 120.68 3dm5 h ALA 171 Ca 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3dm5 h ALA 171 Cb 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3dm5 h ALA 171 CO -0.04 -0.17 -0.23 -0.22 0.00 0.00 0.00 179.25 178.59 3dm5 h LYS 172 N -0.08 -0.58 -0.46 0.00 3.11 -0.91 0.08 116.57 117.74 3dm5 h LYS 172 Ca 0.03 0.04 0.09 0.00 -2.81 0.00 0.00 60.65 58.00 3dm5 h LYS 172 Cb 0.34 0.13 -0.09 0.00 -1.00 0.00 0.00 32.23 31.61 3dm5 h LYS 172 CO 0.00 -0.38 -0.14 0.93 -2.81 0.00 0.00 179.45 177.05 3dm5 h GLU 173 N -0.60 -0.03 -0.37 1.90 5.08 -1.01 -2.07 114.58 117.48 3dm5 h GLU 173 Ca -0.05 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3dm5 h GLU 173 Cb 0.48 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3dm5 h GLU 173 CO 0.05 -0.02 0.06 0.78 -1.00 0.00 0.00 179.01 178.89 3dm5 h GLY 174 N -0.03 0.65 0.96 -3.84 0.00 -0.92 -1.15 103.07 98.73 3dm5 h GLY 174 Ca 0.22 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 3dm5 h GLY 174 CO -0.49 0.40 -0.00 -2.08 0.00 0.00 0.00 176.54 174.37 3dm5 h VAL 175 N 0.45 1.02 -0.08 4.60 2.07 -0.82 -0.20 116.25 123.30 3dm5 h VAL 175 Ca 0.11 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.57 3dm5 h VAL 175 Cb 0.35 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 3dm5 h VAL 175 CO 0.01 0.03 -0.24 0.44 0.02 0.00 0.00 177.57 177.82 3dm5 h ASP 176 N -0.06 -0.73 0.46 0.57 3.32 -1.29 0.18 116.42 118.88 3dm5 h ASP 176 Ca -0.00 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3dm5 h ASP 176 Cb 0.05 0.31 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3dm5 h ASP 176 CO 0.00 -0.30 -0.49 0.22 -1.72 0.00 0.00 179.24 176.95 3dm5 h TYR 177 N -0.33 -1.38 -0.86 4.55 3.20 -1.03 -2.00 116.97 119.12 3dm5 h TYR 177 Ca 0.08 0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.10 3dm5 h TYR 177 Cb 0.45 0.54 -0.07 0.00 1.54 0.00 0.00 36.73 39.20 3dm5 h TYR 177 CO -0.31 -0.65 0.56 0.74 -1.64 0.00 0.00 178.16 176.86 3dm5 h PHE 178 N -0.96 0.78 -0.20 -3.82 0.04 -0.91 0.56 116.94 112.43 3dm5 h PHE 178 Ca -0.06 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.69 3dm5 h PHE 178 Cb 0.84 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 3dm5 h PHE 178 CO -0.27 0.30 -0.07 -0.22 -0.60 0.00 0.00 178.31 177.46 3dm5 h LYS 179 N 0.68 0.31 -0.35 1.51 3.64 -0.52 -2.51 116.57 119.32 3dm5 h LYS 179 Ca 0.43 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.76 3dm5 h LYS 179 Cb 0.68 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 3dm5 h LYS 179 CO -0.19 0.40 0.19 0.77 -2.27 0.00 0.00 179.45 178.36 3dm5 h SER 180 N 0.30 0.31 0.00 4.20 0.02 -0.15 -2.60 113.55 115.63 3dm5 h SER 180 Ca 0.07 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3dm5 h SER 180 Cb 0.32 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.81 3dm5 h SER 180 CO 0.02 0.22 0.00 0.29 -1.14 0.00 0.00 176.83 176.22 3dm5 n LYS 181 N -4.91 0.59 -2.65 3.45 5.02 -0.95 -4.84 118.16 113.87 3dm5 n LYS 181 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 3dm5 n LYS 181 Cb 0.07 -1.19 0.02 0.00 -0.02 0.00 0.00 35.03 33.91 3dm5 n LYS 181 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dm5 n GLY 182 N 0.13 0.55 3.78 0.72 0.00 -0.98 -5.03 105.19 104.35 3dm5 n GLY 182 Ca 0.05 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.07 4.34 0.15 1.61 -7.23 -1.25 -4.93 120.40 110.02 3dm5 s VAL 183 Ca 0.10 1.72 -0.09 0.00 -1.81 0.00 0.00 61.98 61.90 3dm5 s VAL 183 Cb -0.05 -4.14 -0.04 0.00 0.56 0.00 0.00 36.38 32.72 3dm5 s VAL 183 CO 0.16 0.49 1.48 0.44 -0.31 0.00 0.00 175.10 177.37 3dm5 h ASP 184 N 4.21 0.94 -3.70 4.85 5.19 -1.25 -3.36 116.42 123.29 3dm5 h ASP 184 Ca -0.47 -0.44 -0.49 0.00 -0.62 0.00 0.00 57.03 55.01 3dm5 h ASP 184 Cb 1.20 -0.27 -0.32 0.00 0.18 0.00 0.00 39.33 40.13 3dm5 h ASP 184 CO 0.66 1.22 -0.81 -0.63 -3.12 0.00 0.00 179.24 176.56 3dm5 s ILE 185 N -4.33 1.07 -0.17 0.35 1.01 -0.87 -1.72 121.20 116.54 3dm5 s ILE 185 Ca -0.10 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.06 3dm5 s ILE 185 Cb 0.11 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.63 3dm5 s ILE 185 CO 0.87 0.33 -0.16 -0.63 0.00 0.00 0.00 174.94 175.35 3dm5 s ILE 186 N 0.33 2.48 -0.23 2.92 1.01 -0.80 -1.82 121.20 125.07 3dm5 s ILE 186 Ca -0.07 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.68 3dm5 s ILE 186 Cb -0.12 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 3dm5 s ILE 186 CO 0.02 0.52 0.07 -0.63 0.00 0.00 0.00 174.94 174.92 3dm5 s ILE 187 N 1.02 4.44 -0.23 2.92 1.01 -0.63 -0.66 121.20 129.06 3dm5 s ILE 187 Ca -0.02 -0.13 -0.07 0.00 0.00 0.00 0.00 60.65 60.43 3dm5 s ILE 187 Cb -0.15 -3.06 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 3dm5 s ILE 187 CO -0.04 0.36 0.05 -0.69 0.00 0.00 0.00 174.94 174.62 3dm5 s VAL 188 N 1.34 4.23 -0.42 2.92 1.01 0.39 -0.97 120.40 128.91 3dm5 s VAL 188 Ca 0.05 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 61.63 3dm5 s VAL 188 Cb -0.15 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.30 3dm5 s VAL 188 CO 0.04 0.37 0.57 -0.62 0.00 0.00 0.00 175.10 175.46 3dm5 s ASP 189 N 1.39 6.29 0.58 3.32 2.15 -0.02 -0.93 116.67 129.46 3dm5 s ASP 189 Ca 0.05 -0.37 -0.04 0.00 0.43 0.00 0.00 52.55 52.62 3dm5 s ASP 189 Cb -0.15 -2.29 0.02 0.00 -0.30 0.00 0.00 42.92 40.21 3dm5 s ASP 189 CO 0.03 -0.69 0.86 0.42 -0.17 0.00 0.00 175.17 175.62 3dm5 s THR 190 N 2.59 3.24 0.25 1.71 -4.23 -1.01 -0.83 115.64 117.36 3dm5 s THR 190 Ca 0.19 -0.27 -0.30 0.00 -1.18 0.00 0.00 61.69 60.14 3dm5 s THR 190 Cb -0.15 -3.28 -0.09 0.00 1.34 0.00 0.00 72.50 70.32 3dm5 s THR 190 CO 0.17 -0.26 1.32 0.00 -0.54 0.00 0.00 174.62 175.31 3dm5 s ALA 191 N -2.92 3.53 1.00 3.99 0.00 -1.24 -4.45 121.76 121.67 3dm5 s ALA 191 Ca 0.55 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.69 3dm5 s ALA 191 Cb -0.10 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3dm5 s ALA 191 CO 0.42 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.01 3dm5 n GLY 192 N 1.83 -1.81 3.42 0.00 0.00 -1.26 -4.80 105.19 102.57 3dm5 n GLY 192 Ca 0.04 -1.52 -0.14 0.00 0.00 0.00 0.00 46.02 44.40 3dm5 n GLY 192 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dm5 s ARG 193 N -1.88 1.11 0.24 1.61 6.06 -1.25 -4.85 118.95 119.99 3dm5 s ARG 193 Ca 0.00 -0.23 -0.06 0.00 -2.50 0.00 0.00 55.73 52.94 3dm5 s ARG 193 Cb 0.00 0.51 0.27 0.00 0.06 0.00 0.00 34.95 35.79 3dm5 s ARG 193 CO 0.00 -0.42 1.90 1.12 -2.50 0.00 0.00 175.30 175.40 3dm5 h HIS 194 N 2.58 1.13 -4.13 5.12 -0.00 -1.95 -1.29 115.15 116.62 3dm5 h HIS 194 Ca -0.31 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 59.94 3dm5 h HIS 194 Cb 1.23 -0.38 -0.13 0.00 -0.00 0.00 0.00 27.41 28.13 3dm5 h HIS 194 CO 0.33 0.67 -0.44 -1.59 -0.00 0.00 0.00 177.93 176.90 3dm5 s LYS 195 N -6.10 1.14 -0.90 5.12 -2.85 -1.26 -4.49 119.74 110.39 3dm5 s LYS 195 Ca -0.13 -1.33 -0.21 0.00 -1.00 0.00 0.00 55.97 53.30 3dm5 s LYS 195 Cb 0.18 0.33 0.09 0.00 -2.06 0.00 0.00 37.83 36.37 3dm5 s LYS 195 CO 0.80 -0.39 1.20 -2.00 0.10 0.00 0.00 175.35 175.06 3dm5 s GLU 196 N -4.03 3.50 0.41 1.78 2.12 -1.26 -4.66 118.70 116.57 3dm5 s GLU 196 Ca 0.23 -1.36 0.02 0.00 0.36 0.00 0.00 54.97 54.22 3dm5 s GLU 196 Cb 0.05 -4.89 -0.01 0.00 0.26 0.00 0.00 34.13 29.54 3dm5 s GLU 196 CO 0.03 -1.92 0.07 -0.40 -0.54 0.00 0.00 175.26 172.50 3dm5 n ASP 197 N 7.52 2.20 -0.27 -1.70 5.68 -1.26 -4.96 116.55 123.76 3dm5 n ASP 197 Ca 0.21 -3.00 0.18 0.00 -0.50 0.00 0.00 54.79 51.68 3dm5 n ASP 197 Cb 0.49 0.64 0.47 0.00 -1.14 0.00 0.00 41.12 41.58 3dm5 n ASP 197 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3dm5 h LYS 198 N 0.00 0.48 0.13 0.11 5.09 -1.99 -0.04 116.57 120.35 3dm5 h LYS 198 Ca -0.33 -0.03 -0.01 0.00 0.09 0.00 0.00 60.65 60.37 3dm5 h LYS 198 Cb 1.13 -0.11 0.00 0.00 0.10 0.00 0.00 32.23 33.35 3dm5 h LYS 198 CO 0.54 0.32 -0.06 0.00 -2.09 0.00 0.00 179.45 178.16 3dm5 h ALA 199 N 1.61 -0.18 0.57 0.07 0.00 -1.94 0.48 119.26 119.87 3dm5 h ALA 199 Ca 0.49 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 3dm5 h ALA 199 Cb 1.11 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3dm5 h ALA 199 CO -0.22 -0.58 -0.48 1.25 0.00 0.00 0.00 179.25 179.22 3dm5 h LEU 200 N -0.22 -1.28 -1.51 0.00 6.46 -1.30 -3.06 115.31 114.41 3dm5 h LEU 200 Ca -0.02 0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 3dm5 h LEU 200 Cb 0.17 0.41 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 3dm5 h LEU 200 CO 0.03 -0.66 0.01 0.16 -0.62 0.00 0.00 178.44 177.35 3dm5 h ILE 201 N -1.02 1.14 0.00 4.05 3.07 -1.38 -2.76 117.51 120.60 3dm5 h ILE 201 Ca -0.07 -0.52 0.00 0.00 1.55 0.00 0.00 64.86 65.82 3dm5 h ILE 201 Cb 0.86 0.96 0.00 0.00 -0.27 0.00 0.00 36.82 38.38 3dm5 h ILE 201 CO -0.01 0.18 0.00 -0.62 -1.05 0.00 0.00 178.15 176.65 3dm5 n GLU 202 N -4.36 0.16 0.00 0.16 1.02 0.15 -2.39 120.64 115.38 3dm5 n GLU 202 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3dm5 n GLU 202 Cb 0.19 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 3dm5 n GLU 202 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3dm5 n MET 204 N 1.08 0.00 -0.07 3.49 0.00 -1.04 -2.08 117.12 118.50 3dm5 n MET 204 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.58 3dm5 n MET 204 Cb 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.25 3dm5 n MET 204 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 3dm5 h LYS 205 N 0.00 0.42 -0.01 3.17 1.57 -1.76 -0.31 116.57 119.65 3dm5 h LYS 205 Ca 0.00 -0.18 0.03 0.00 -1.87 0.00 0.00 60.65 58.64 3dm5 h LYS 205 Cb 0.00 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.24 3dm5 h LYS 205 CO 0.00 0.70 -0.39 1.96 -0.57 0.00 0.00 179.45 181.15 3dm5 h GLN 206 N 0.13 -0.52 -0.35 3.15 4.20 -1.71 0.14 115.11 120.15 3dm5 h GLN 206 Ca 0.05 0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 3dm5 h GLN 206 Cb 0.56 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 3dm5 h GLN 206 CO 0.03 -0.35 0.14 0.82 -0.67 0.00 0.00 178.83 178.80 3dm5 h ILE 207 N -0.54 1.19 -0.89 2.54 2.04 -1.83 -2.35 117.51 117.68 3dm5 h ILE 207 Ca 0.05 -0.57 0.07 0.00 1.00 0.00 0.00 64.86 65.41 3dm5 h ILE 207 Cb 0.63 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 3dm5 h ILE 207 CO -0.31 0.20 0.58 -1.28 0.00 0.00 0.00 178.15 177.34 3dm5 h SER 208 N 0.42 0.86 1.11 1.72 0.87 -0.81 -0.06 113.55 117.67 3dm5 h SER 208 Ca 0.12 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3dm5 h SER 208 Cb 0.18 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3dm5 h SER 208 CO -0.01 0.54 0.00 0.78 -0.53 0.00 0.00 176.83 177.61 3dm5 h ASN 209 N 0.97 0.00 0.15 6.23 2.35 -0.24 0.51 115.58 125.56 3dm5 h ASN 209 Ca 0.39 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.78 3dm5 h ASN 209 Cb 0.25 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3dm5 h ASN 209 CO -0.15 0.00 -2.00 0.52 -1.65 0.00 0.00 177.43 174.15 3dm5 n VAL 210 N -3.06 1.75 0.85 2.81 0.31 -0.20 -4.48 118.33 116.31 3dm5 n VAL 210 Ca 0.01 -0.67 0.09 0.00 -0.01 0.00 0.00 64.34 63.76 3dm5 n VAL 210 Cb 0.33 -1.64 -0.10 0.00 -0.91 0.00 0.00 33.84 31.51 3dm5 n VAL 210 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3dm5 n ILE 211 N -3.42 0.00 -3.46 2.52 -5.35 -0.23 -5.04 119.36 104.38 3dm5 n ILE 211 Ca -0.31 -0.09 -0.19 0.00 -0.27 0.00 0.00 62.75 61.89 3dm5 n ILE 211 Cb 1.05 1.01 0.01 0.00 -1.74 0.00 0.00 39.64 39.97 3dm5 n ILE 211 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3dm5 n HIS 212 N -1.35 -2.54 -2.25 4.28 8.25 0.17 -4.90 115.22 116.87 3dm5 n HIS 212 Ca 0.04 1.02 -0.36 0.00 -0.26 0.00 0.00 57.72 58.15 3dm5 n HIS 212 Cb 0.29 -3.09 -0.00 0.00 1.12 0.00 0.00 29.99 28.30 3dm5 n HIS 212 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3dm5 s PRO 213 N -3.79 3.62 0.52 -0.41 0.02 -1.26 -4.90 135.00 128.79 3dm5 s PRO 213 Ca 0.09 1.73 0.19 0.00 0.02 0.00 0.00 61.00 63.03 3dm5 s PRO 213 Cb -0.01 -2.27 1.33 0.00 0.02 0.00 0.00 34.50 33.56 3dm5 s PRO 213 CO 0.84 -0.66 2.12 1.25 -0.33 0.00 0.00 177.00 180.23 3dm5 h HIS 214 N 1.77 0.00 -2.06 6.54 -0.00 -1.54 -3.46 115.15 116.39 3dm5 h HIS 214 Ca -0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 59.81 3dm5 h HIS 214 Cb 1.25 0.00 -0.19 0.00 -0.00 0.00 0.00 27.41 28.47 3dm5 h HIS 214 CO 0.52 0.06 0.17 -2.00 -0.00 0.00 0.00 177.93 176.68 3dm5 s GLU 215 N -4.80 1.04 -0.17 5.26 2.12 -1.09 -4.97 118.70 116.10 3dm5 s GLU 215 Ca -0.05 0.23 0.01 0.00 0.36 0.00 0.00 54.97 55.53 3dm5 s GLU 215 Cb 0.16 0.49 0.03 0.00 0.26 0.00 0.00 34.13 35.07 3dm5 s GLU 215 CO 0.65 -0.32 -0.13 0.08 -0.54 0.00 0.00 175.26 174.99 3dm5 s VAL 216 N -1.21 1.66 -0.23 3.70 1.01 -0.31 -1.05 120.40 123.98 3dm5 s VAL 216 Ca -0.11 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 3dm5 s VAL 216 Cb -0.00 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 3dm5 s VAL 216 CO 0.10 0.36 0.02 -0.63 0.00 0.00 0.00 175.10 174.94 3dm5 s ILE 217 N 1.43 3.87 -0.04 2.22 1.01 0.16 -0.83 121.20 129.01 3dm5 s ILE 217 Ca 0.03 -0.32 -0.20 0.00 0.00 0.00 0.00 60.65 60.16 3dm5 s ILE 217 Cb -0.14 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 3dm5 s ILE 217 CO -0.10 0.38 0.55 -0.22 0.00 0.00 0.00 174.94 175.56 3dm5 s LEU 218 N 1.51 4.37 -0.27 2.97 2.96 -0.10 -0.65 118.68 129.48 3dm5 s LEU 218 Ca 0.06 1.04 -0.10 0.00 -0.22 0.00 0.00 54.13 54.91 3dm5 s LEU 218 Cb -0.15 -2.84 -0.05 0.00 0.50 0.00 0.00 46.19 43.66 3dm5 s LEU 218 CO 0.00 0.07 0.16 -0.69 -1.32 0.00 0.00 176.35 174.57 3dm5 s VAL 219 N 0.07 5.11 -0.11 1.68 1.01 0.26 -1.47 120.40 126.95 3dm5 s VAL 219 Ca 0.30 0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.38 3dm5 s VAL 219 Cb -0.17 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 3dm5 s VAL 219 CO 0.15 0.29 -0.13 -0.63 0.00 0.00 0.00 175.10 174.77 3dm5 s ILE 220 N 1.59 3.06 -0.47 2.22 1.01 -0.05 -4.47 121.20 124.09 3dm5 s ILE 220 Ca 0.07 -0.67 -0.28 0.00 0.00 0.00 0.00 60.65 59.76 3dm5 s ILE 220 Cb -0.15 -2.27 0.01 0.00 0.01 0.00 0.00 42.46 40.06 3dm5 s ILE 220 CO 0.08 0.54 1.39 -0.62 0.00 0.00 0.00 174.94 176.33 3dm5 s ASP 221 N 0.14 6.29 0.54 3.58 2.15 -1.25 -0.54 116.67 127.57 3dm5 s ASP 221 Ca -0.07 0.62 0.36 0.00 0.43 0.00 0.00 52.55 53.90 3dm5 s ASP 221 Cb -0.15 -2.54 1.92 0.00 -0.30 0.00 0.00 42.92 41.85 3dm5 s ASP 221 CO 0.05 -1.51 2.11 1.23 -0.17 0.00 0.00 175.17 176.87 3dm5 h GLY 222 N 12.43 0.00 2.00 2.66 0.00 -1.26 -2.40 103.07 116.50 3dm5 h GLY 222 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3dm5 h GLY 222 CO 1.12 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 176.36 3dm5 n THR 223 N -2.81 0.72 0.85 4.70 -2.24 -1.26 -2.14 114.28 112.10 3dm5 n THR 223 Ca -0.02 0.16 0.12 0.00 -2.27 0.00 0.00 64.05 62.03 3dm5 n THR 223 Cb 0.09 -0.89 0.52 0.00 -2.10 0.00 0.00 70.33 67.95 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 -1.67 0.33 -2.26 2.28 -5.35 -0.90 -4.80 119.36 106.99 3dm5 n ILE 224 Ca 0.04 0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.61 3dm5 n ILE 224 Cb 0.23 -0.67 0.00 0.00 -1.74 0.00 0.00 39.64 37.47 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 0.98 3.32 0.00 3.28 0.00 -0.91 -2.59 105.19 109.27 3dm5 n GLY 225 Ca 0.06 -0.22 0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 0.07 0.00 1.61 10.64 -1.22 -1.24 117.38 141.23 3dm5 n GLN 226 Ca 0.00 0.27 0.10 0.00 -1.83 0.00 0.00 57.00 55.54 3dm5 n GLN 226 Cb 0.00 -1.50 0.46 0.00 -0.86 0.00 0.00 30.24 28.34 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 -1.34 0.09 0.24 2.61 6.02 -1.07 -2.82 117.38 121.11 3dm5 n GLN 227 Ca 0.03 0.13 0.09 0.00 -0.01 0.00 0.00 57.00 57.23 3dm5 n GLN 227 Cb 0.05 -1.50 0.59 0.00 1.02 0.00 0.00 30.24 30.41 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 2.79 1.43 0.35 -1.58 0.00 -1.40 -3.29 119.26 117.56 3dm5 h ALA 228 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3dm5 h ALA 228 Cb 0.31 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3dm5 h ALA 228 CO 0.00 0.23 -0.33 -0.92 0.00 0.00 0.00 179.25 178.22 3dm5 h TYR 229 N 0.00 -0.90 -0.38 0.00 3.20 -1.74 0.11 116.97 117.26 3dm5 h TYR 229 Ca -0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 3dm5 h TYR 229 Cb 0.39 0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 3dm5 h TYR 229 CO 0.00 -0.48 0.13 -0.91 -1.64 0.00 0.00 178.16 175.26 3dm5 h ASN 230 N -0.70 0.50 -0.08 -2.11 2.35 -1.81 -0.01 115.58 113.71 3dm5 h ASN 230 Ca -0.02 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 3dm5 h ASN 230 Cb 0.63 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 3dm5 h ASN 230 CO -0.05 0.48 -0.01 1.56 -1.65 0.00 0.00 177.43 177.75 3dm5 h GLN 231 N 0.54 0.15 -0.36 0.81 4.20 -1.53 -1.16 115.11 117.77 3dm5 h GLN 231 Ca 0.13 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 3dm5 h GLN 231 Cb 0.16 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3dm5 h GLN 231 CO -0.01 0.45 -0.14 0.00 -0.67 0.00 0.00 178.83 178.46 3dm5 h ALA 232 N 0.69 1.07 -0.12 3.87 0.00 -0.60 -2.85 119.26 121.33 3dm5 h ALA 232 Ca 0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3dm5 h ALA 232 Cb 0.39 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3dm5 h ALA 232 CO 0.01 0.57 0.02 1.25 0.00 0.00 0.00 179.25 181.10 3dm5 h LEU 233 N 0.59 0.19 -1.14 0.00 6.46 -0.89 -0.47 115.31 120.06 3dm5 h LEU 233 Ca 0.10 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.62 3dm5 h LEU 233 Cb 0.58 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.42 3dm5 h LEU 233 CO 0.04 0.39 0.54 0.00 -0.62 0.00 0.00 178.44 178.78 3dm5 h ALA 234 N 0.81 1.36 -0.12 1.25 0.00 -1.20 -1.43 119.26 119.94 3dm5 h ALA 234 Ca 0.04 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3dm5 h ALA 234 Cb 0.28 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3dm5 h ALA 234 CO 0.00 0.57 -0.27 0.35 0.00 0.00 0.00 179.25 179.90 3dm5 h PHE 235 N 1.15 0.50 -0.19 0.00 3.57 -1.37 -3.00 116.94 117.59 3dm5 h PHE 235 Ca 0.31 -0.19 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3dm5 h PHE 235 Cb -0.10 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 3dm5 h PHE 235 CO 0.00 0.89 -0.01 -0.22 -2.23 0.00 0.00 178.31 176.74 3dm5 h LYS 236 N -0.03 0.28 -0.13 1.11 3.64 -0.85 -1.54 116.57 119.05 3dm5 h LYS 236 Ca -0.00 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 3dm5 h LYS 236 Cb 0.87 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 3dm5 h LYS 236 CO 0.06 0.32 -0.30 0.93 -2.27 0.00 0.00 179.45 178.19 3dm5 h GLU 237 N 0.28 0.24 -0.36 1.90 5.08 -1.19 -3.09 114.58 117.43 3dm5 h GLU 237 Ca 0.06 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3dm5 h GLU 237 Cb 0.21 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3dm5 h GLU 237 CO 0.01 0.52 0.00 0.00 -1.00 0.00 0.00 179.01 178.53 3dm5 n ALA 238 N -2.48 2.45 -3.64 3.43 0.00 -0.59 -4.83 120.51 114.85 3dm5 n ALA 238 Ca -0.01 -0.72 -0.08 0.00 0.00 0.00 0.00 53.44 52.64 3dm5 n ALA 238 Cb 0.39 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.52 0.00 -0.58 0.00 -1.32 -1.16 -4.93 115.64 106.12 3dm5 s THR 239 Ca 0.31 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.04 3dm5 s THR 239 Cb 0.16 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.45 3dm5 s THR 239 CO 0.22 0.00 1.74 1.55 -2.21 0.00 0.00 174.62 175.93 3dm5 h PRO 240 N 6.12 0.00 -1.43 7.08 0.13 -1.88 -3.35 132.00 138.67 3dm5 h PRO 240 Ca -0.29 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.25 3dm5 h PRO 240 Cb 1.20 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.91 3dm5 h PRO 240 CO 0.14 0.00 -0.72 0.44 -0.23 0.00 0.00 178.00 177.64 3dm5 n ILE 241 N -2.49 2.41 -4.13 -3.56 -5.35 -1.26 -5.06 119.36 99.92 3dm5 n ILE 241 Ca 0.04 -4.84 -0.35 0.00 -0.27 0.00 0.00 62.75 57.34 3dm5 n ILE 241 Cb 0.42 -1.25 -0.09 0.00 -1.74 0.00 0.00 39.64 36.98 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 -3.51 1.95 0.17 3.28 0.00 -1.26 -1.16 107.32 106.79 3dm5 s GLY 242 Ca 0.48 -0.74 0.02 0.00 0.00 0.00 0.00 44.72 44.49 3dm5 s GLY 242 CO -0.16 -0.32 -0.01 -1.35 0.00 0.00 0.00 173.10 171.26 3dm5 s SER 243 N -0.52 1.34 0.04 1.64 1.04 -0.01 -4.38 113.70 112.86 3dm5 s SER 243 Ca 0.10 -1.16 0.09 0.00 0.48 0.00 0.00 55.95 55.46 3dm5 s SER 243 Cb -0.12 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.07 3dm5 s SER 243 CO 0.02 -0.53 -0.25 -0.63 0.98 0.00 0.00 173.24 172.83 3dm5 s ILE 244 N -3.59 2.01 -0.15 -1.02 -1.09 0.08 -0.92 121.20 116.51 3dm5 s ILE 244 Ca 0.23 -1.31 0.02 0.00 -2.23 0.00 0.00 60.65 57.36 3dm5 s ILE 244 Cb 0.06 -1.72 0.01 0.00 -1.58 0.00 0.00 42.46 39.23 3dm5 s ILE 244 CO 0.04 0.34 -0.21 -0.63 -1.23 0.00 0.00 174.94 173.25 3dm5 s ILE 245 N -0.78 2.13 -0.25 2.92 1.01 -0.54 -0.38 121.20 125.31 3dm5 s ILE 245 Ca 0.11 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.70 3dm5 s ILE 245 Cb -0.10 -1.86 -0.05 0.00 0.01 0.00 0.00 42.46 40.46 3dm5 s ILE 245 CO 0.02 0.54 0.16 -0.69 0.00 0.00 0.00 174.94 174.97 3dm5 s VAL 246 N 0.90 5.28 0.50 2.92 1.01 -1.04 -0.87 120.40 129.10 3dm5 s VAL 246 Ca -0.05 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.16 3dm5 s VAL 246 Cb -0.15 -3.47 0.03 0.00 0.00 0.00 0.00 36.38 32.79 3dm5 s VAL 246 CO -0.04 0.33 0.50 0.42 0.00 0.00 0.00 175.10 176.31 3dm5 s THR 247 N 1.21 2.23 -1.47 3.92 -4.23 0.30 -0.34 115.64 117.27 3dm5 s THR 247 Ca 0.07 -1.28 -0.05 0.00 -1.18 0.00 0.00 61.69 59.25 3dm5 s THR 247 Cb -0.14 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.19 3dm5 s THR 247 CO 0.06 0.00 0.68 0.29 -0.54 0.00 0.00 174.62 175.11 3dm5 n LYS 248 N -1.81 -5.23 0.20 3.99 5.02 -1.19 -0.83 118.16 118.31 3dm5 n LYS 248 Ca 0.05 0.86 0.12 0.00 -2.02 0.00 0.00 58.31 57.33 3dm5 n LYS 248 Cb 0.62 -5.68 0.18 0.00 -0.02 0.00 0.00 35.03 30.14 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 -1.56 0.00 -9.54 -0.35 3.38 -1.73 -3.41 115.31 102.11 3dm5 h LEU 249 Ca -0.52 -0.00 -0.53 0.00 0.09 0.00 0.00 57.88 56.92 3dm5 h LEU 249 Cb 1.35 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.14 3dm5 h LEU 249 CO 0.55 0.00 1.02 1.51 0.09 0.00 0.00 178.44 181.60 3dm5 s ASP 250 N -6.01 6.50 0.00 -0.43 -4.77 -1.26 -2.39 116.67 108.31 3dm5 s ASP 250 Ca 0.07 2.67 0.00 0.00 -3.30 0.00 0.00 52.55 51.99 3dm5 s ASP 250 Cb 0.06 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.31 3dm5 s ASP 250 CO 0.67 -0.93 0.00 0.61 0.70 0.00 0.00 175.17 176.22 3dm5 n GLY 251 N 4.02 0.25 3.72 2.12 0.00 0.24 -4.92 105.19 110.63 3dm5 n GLY 251 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3dm5 n GLY 251 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dm5 s SER 252 N -2.23 7.04 0.15 1.61 0.15 -1.01 -4.92 113.70 114.49 3dm5 s SER 252 Ca 0.00 2.16 0.04 0.00 0.70 0.00 0.00 55.95 58.86 3dm5 s SER 252 Cb 0.00 -2.59 -0.07 0.00 -1.71 0.00 0.00 66.02 61.65 3dm5 s SER 252 CO 0.00 -0.46 1.34 0.00 1.20 0.00 0.00 173.24 175.32 3dm5 h ALA 253 N 6.13 0.47 -0.20 5.45 0.00 -1.91 -3.35 119.26 125.85 3dm5 h ALA 253 Ca -0.43 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 53.69 3dm5 h ALA 253 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3dm5 h ALA 253 CO 0.79 1.03 0.00 1.63 0.00 0.00 0.00 179.25 182.70 3dm5 n LYS 254 N -3.55 1.82 -0.25 0.00 5.02 -1.26 -4.36 118.16 115.59 3dm5 n LYS 254 Ca -0.02 -1.77 0.05 0.00 -2.02 0.00 0.00 58.31 54.55 3dm5 n LYS 254 Cb 0.86 -1.34 0.18 0.00 -0.02 0.00 0.00 35.03 34.71 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 3.05 1.05 -0.09 0.72 0.00 -1.69 -0.05 103.07 106.06 3dm5 h GLY 255 Ca 0.00 -0.08 0.13 0.00 0.00 0.00 0.00 47.33 47.38 3dm5 h GLY 255 CO 0.00 -0.16 -0.03 -1.33 0.00 0.00 0.00 176.54 175.03 3dm5 h GLY 256 N 0.33 0.62 1.55 4.60 0.00 -1.80 -0.80 103.07 107.57 3dm5 h GLY 256 Ca 0.41 0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.81 3dm5 h GLY 256 CO -0.46 -0.21 0.10 -1.33 0.00 0.00 0.00 176.54 174.64 3dm5 h GLY 257 N 0.09 0.61 0.97 4.60 0.00 0.50 -2.34 103.07 107.51 3dm5 h GLY 257 Ca 0.32 -0.32 -0.17 0.00 0.00 0.00 0.00 47.33 47.15 3dm5 h GLY 257 CO -0.54 0.30 -0.60 0.00 0.00 0.00 0.00 176.54 175.69 3dm5 h ALA 258 N 1.55 0.22 -0.25 3.60 0.00 -0.58 -0.93 119.26 122.89 3dm5 h ALA 258 Ca 0.13 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3dm5 h ALA 258 Cb 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3dm5 h ALA 258 CO -0.00 0.48 0.14 -0.07 0.00 0.00 0.00 179.25 179.79 3dm5 h LEU 259 N 0.25 0.30 -0.67 0.00 3.38 -0.98 -0.45 115.31 117.14 3dm5 h LEU 259 Ca -0.04 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 3dm5 h LEU 259 Cb 1.25 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3dm5 h LEU 259 CO 0.12 0.29 -0.27 0.77 0.09 0.00 0.00 178.44 179.44 3dm5 h SER 260 N 0.29 0.76 -0.23 -0.43 4.64 -1.51 0.07 113.55 117.14 3dm5 h SER 260 Ca 0.09 -0.29 0.04 0.00 -0.47 0.00 0.00 61.79 61.16 3dm5 h SER 260 Cb 0.05 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 61.89 3dm5 h SER 260 CO -0.01 1.00 -0.05 0.00 -0.87 0.00 0.00 176.83 176.89 3dm5 h ALA 261 N 1.05 0.16 -0.26 5.18 0.00 -0.92 -1.15 119.26 123.33 3dm5 h ALA 261 Ca 0.08 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3dm5 h ALA 261 Cb 0.79 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3dm5 h ALA 261 CO 0.07 -0.47 -0.05 0.28 0.00 0.00 0.00 179.25 179.08 3dm5 h VAL 262 N 0.01 1.28 0.00 0.00 2.07 -0.76 -2.96 116.25 115.89 3dm5 h VAL 262 Ca 0.11 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 3dm5 h VAL 262 Cb 0.16 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3dm5 h VAL 262 CO -0.23 0.32 -0.12 0.00 0.02 0.00 0.00 177.57 177.57 3dm5 h ALA 263 N 0.78 1.77 0.00 1.67 0.00 -0.90 -1.24 119.26 121.35 3dm5 h ALA 263 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3dm5 h ALA 263 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3dm5 h ALA 263 CO 0.02 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.42 3dm5 n ALA 264 N -2.50 2.14 0.00 0.00 0.00 -0.44 -1.26 120.51 118.44 3dm5 n ALA 264 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3dm5 n ALA 264 Cb 0.19 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3dm5 n ALA 264 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3dm5 n THR 265 N -0.28 0.00 0.00 0.00 5.66 -0.47 -5.01 114.28 114.17 3dm5 n THR 265 Ca 0.00 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 3dm5 n THR 265 Cb 0.06 0.51 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 3dm5 n THR 265 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3dm5 n GLY 266 N 1.92 3.03 3.63 1.09 0.00 -0.39 -5.00 105.19 109.48 3dm5 n GLY 266 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.40 0.31 -2.35 4.61 0.00 -1.26 -4.87 120.51 116.55 3dm5 n ALA 267 Ca 0.00 0.46 -0.42 0.00 0.00 0.00 0.00 53.44 53.48 3dm5 n ALA 267 Cb 0.00 -2.20 -0.03 0.00 0.00 0.00 0.00 19.45 17.22 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 0.18 4.46 -0.59 0.00 0.04 -1.26 -4.62 135.00 133.20 3dm5 s PRO 268 Ca 0.76 1.76 -0.25 0.00 0.04 0.00 0.00 61.00 63.31 3dm5 s PRO 268 Cb -0.77 -3.33 0.04 0.00 0.04 0.00 0.00 34.50 30.48 3dm5 s PRO 268 CO 0.46 -0.19 1.04 0.42 0.04 0.00 0.00 177.00 178.76 3dm5 s ILE 269 N 0.80 4.23 -0.06 0.56 1.01 -1.26 -0.74 121.20 125.73 3dm5 s ILE 269 Ca 0.57 0.33 -0.15 0.00 0.00 0.00 0.00 60.65 61.40 3dm5 s ILE 269 Cb -0.29 -4.64 -0.30 0.00 0.01 0.00 0.00 42.46 37.23 3dm5 s ILE 269 CO 0.31 -1.29 0.69 0.11 0.00 0.00 0.00 174.94 174.75 3dm5 h LYS 270 N 9.48 0.33 -4.65 2.79 1.79 -1.01 -3.40 116.57 121.91 3dm5 h LYS 270 Ca -0.26 -0.57 -0.23 0.00 -2.18 0.00 0.00 60.65 57.40 3dm5 h LYS 270 Cb 1.07 0.21 -0.15 0.00 -1.58 0.00 0.00 32.23 31.78 3dm5 h LYS 270 CO 1.14 1.27 -0.68 -0.06 -1.08 0.00 0.00 179.45 180.04 3dm5 s PHE 271 N -2.52 0.94 -0.01 -1.35 0.40 -1.25 -0.60 117.98 113.60 3dm5 s PHE 271 Ca -0.17 -0.97 0.07 0.00 -0.60 0.00 0.00 56.93 55.26 3dm5 s PHE 271 Cb 0.04 -0.55 -0.02 0.00 0.51 0.00 0.00 43.02 43.00 3dm5 s PHE 271 CO 0.82 -0.21 -0.23 0.96 0.70 0.00 0.00 175.22 177.27 3dm5 s ILE 272 N -3.68 1.80 0.26 0.64 -4.36 0.23 -2.49 121.20 113.59 3dm5 s ILE 272 Ca 0.15 -1.02 -0.18 0.00 -0.26 0.00 0.00 60.65 59.34 3dm5 s ILE 272 Cb 0.06 -1.50 -0.09 0.00 1.25 0.00 0.00 42.46 42.18 3dm5 s ILE 272 CO -0.02 0.46 0.73 -0.83 0.24 0.00 0.00 174.94 175.52 3dm5 s GLY 273 N -0.65 2.52 0.00 6.27 0.00 0.54 -1.51 107.32 114.48 3dm5 s GLY 273 Ca 0.09 0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.93 3dm5 s GLY 273 CO -0.00 0.43 0.13 2.41 0.00 0.00 0.00 173.10 176.06 3dm5 n THR 274 N 0.33 0.00 -0.54 0.90 -1.04 -0.01 -2.23 114.28 111.69 3dm5 n THR 274 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3dm5 n THR 274 Cb 0.52 1.64 0.00 0.00 -1.82 0.00 0.00 70.33 70.67 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 0.00 -2.26 0.10 3.41 0.00 -1.25 -4.42 105.19 100.77 3dm5 n GLY 275 Ca 0.00 -1.22 0.12 0.00 0.00 0.00 0.00 46.02 44.92 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 -6.92 1.61 5.08 -2.00 -3.45 114.58 108.91 3dm5 h GLU 276 Ca 0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.90 3dm5 h GLU 276 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3dm5 h GLU 276 CO 0.00 0.00 0.27 0.15 -1.00 0.00 0.00 179.01 178.43 3dm5 s LYS 277 N -3.31 4.25 0.63 2.33 1.02 -1.26 -4.96 119.74 118.45 3dm5 s LYS 277 Ca 0.01 1.05 0.20 0.00 0.02 0.00 0.00 55.97 57.25 3dm5 s LYS 277 Cb 0.11 -2.40 0.91 0.00 -0.52 0.00 0.00 37.83 35.93 3dm5 s LYS 277 CO 0.77 0.10 1.47 0.97 -0.92 0.00 0.00 175.35 177.74 3dm5 h ILE 278 N 2.11 0.07 -0.05 2.17 6.09 -1.94 -0.31 117.51 125.66 3dm5 h ILE 278 Ca -0.48 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 3dm5 h ILE 278 Cb 1.18 0.28 0.00 0.00 0.47 0.00 0.00 36.82 38.75 3dm5 h ILE 278 CO 0.63 0.00 0.00 0.47 -3.07 0.00 0.00 178.15 176.18 3dm5 n ASP 279 N -3.02 2.74 -3.48 2.19 8.00 -1.26 -4.47 116.55 117.26 3dm5 n ASP 279 Ca 0.07 -1.86 -0.40 0.00 0.71 0.00 0.00 54.79 53.31 3dm5 n ASP 279 Cb 0.93 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 42.00 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 1.16 7.62 -3.75 -2.24 8.00 -0.13 -4.80 116.55 122.41 3dm5 n ASP 280 Ca 0.12 -2.89 -0.13 0.00 0.71 0.00 0.00 54.79 52.61 3dm5 n ASP 280 Cb 0.52 -1.48 -0.13 0.00 -0.02 0.00 0.00 41.12 40.01 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 0.71 -0.03 -0.01 0.53 2.07 -1.26 -0.83 121.20 122.37 3dm5 s ILE 281 Ca 0.58 0.11 0.03 0.00 -1.41 0.00 0.00 60.65 59.95 3dm5 s ILE 281 Cb 0.17 -0.33 -0.00 0.00 0.13 0.00 0.00 42.46 42.43 3dm5 s ILE 281 CO -0.07 0.04 -0.09 -1.83 -1.91 0.00 0.00 174.94 171.09 3dm5 s GLU 282 N 0.88 0.76 0.48 3.50 -1.05 -0.57 -4.97 118.70 117.73 3dm5 s GLU 282 Ca -0.06 -0.30 -0.23 0.00 -0.15 0.00 0.00 54.97 54.22 3dm5 s GLU 282 Cb -0.08 -0.73 -0.07 0.00 -0.44 0.00 0.00 34.13 32.81 3dm5 s GLU 282 CO -0.05 0.16 1.29 -2.14 0.95 0.00 0.00 175.26 175.47 3dm5 s PRO 283 N -0.06 3.58 -0.13 -4.83 0.02 -1.26 -0.60 135.00 131.72 3dm5 s PRO 283 Ca 0.01 2.09 -0.18 0.00 0.02 0.00 0.00 61.00 62.94 3dm5 s PRO 283 Cb -0.05 -2.46 -0.04 0.00 0.02 0.00 0.00 34.50 31.97 3dm5 s PRO 283 CO -0.00 -0.79 0.47 0.12 -0.33 0.00 0.00 177.00 176.47 3dm5 s PHE 284 N -1.36 3.50 -0.36 6.54 5.36 0.24 -4.78 117.98 127.11 3dm5 s PHE 284 Ca 0.65 0.86 0.00 0.00 -0.96 0.00 0.00 56.93 57.48 3dm5 s PHE 284 Cb -0.37 -2.55 0.14 0.00 -0.34 0.00 0.00 43.02 39.91 3dm5 s PHE 284 CO 0.45 0.15 0.22 0.34 -1.46 0.00 0.00 175.22 174.91 3dm5 s ASP 285 N 0.66 2.98 0.22 6.13 -1.08 -1.26 -4.54 116.67 119.78 3dm5 s ASP 285 Ca 0.25 -2.26 -0.12 0.00 -0.52 0.00 0.00 52.55 49.90 3dm5 s ASP 285 Cb -0.15 -0.46 0.28 0.00 -1.46 0.00 0.00 42.92 41.13 3dm5 s ASP 285 CO 0.10 -0.30 1.37 -2.65 0.52 0.00 0.00 175.17 174.21 3dm5 n PRO 286 N 3.95 -0.16 -0.22 4.34 -0.02 -1.26 -0.78 135.00 140.84 3dm5 n PRO 286 Ca 0.12 1.37 -0.07 0.00 -2.02 0.00 0.00 63.50 62.90 3dm5 n PRO 286 Cb 0.37 -2.03 0.08 0.00 -0.02 0.00 0.00 33.50 31.89 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 1.07 -0.10 0.52 0.11 -1.87 0.22 132.00 131.94 3dm5 h PRO 287 Ca 0.35 -0.26 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 3dm5 h PRO 287 Cb 0.57 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 3dm5 h PRO 287 CO -0.89 0.96 0.05 0.00 -0.21 0.00 0.00 178.00 177.91 3dm5 h ARG 288 N 1.01 0.15 0.00 1.05 2.47 -1.37 -1.60 114.38 116.10 3dm5 h ARG 288 Ca 0.21 -0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.93 3dm5 h ARG 288 Cb 0.39 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.65 3dm5 h ARG 288 CO 0.01 0.23 -0.14 0.35 0.56 0.00 0.00 179.97 180.98 3dm5 h PHE 289 N 0.04 -0.36 -0.34 3.04 3.57 -0.85 -1.38 116.94 120.67 3dm5 h PHE 289 Ca 0.04 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 3dm5 h PHE 289 Cb 0.13 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3dm5 h PHE 289 CO -0.03 -0.21 -0.04 0.28 -2.23 0.00 0.00 178.31 176.08 3dm5 h VAL 290 N -0.23 1.22 -0.16 1.41 2.07 -0.56 0.84 116.25 120.83 3dm5 h VAL 290 Ca 0.05 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 3dm5 h VAL 290 Cb 0.29 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3dm5 h VAL 290 CO -0.13 0.30 0.02 -1.28 0.02 0.00 0.00 177.57 176.50 3dm5 h SER 291 N 0.52 0.26 -0.16 0.57 0.87 -1.04 -0.60 113.55 113.97 3dm5 h SER 291 Ca 0.11 -0.27 0.01 0.00 -1.23 0.00 0.00 61.79 60.40 3dm5 h SER 291 Cb 0.40 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3dm5 h SER 291 CO 0.02 0.47 0.06 0.03 -0.53 0.00 0.00 176.83 176.88 3dm5 h ARG 292 N 0.04 0.13 -0.53 2.24 3.08 -0.98 0.66 114.38 119.03 3dm5 h ARG 292 Ca 0.05 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.18 3dm5 h ARG 292 Cb 0.33 -0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.24 3dm5 h ARG 292 CO 0.00 0.09 -0.37 1.25 -1.07 0.00 0.00 179.97 179.87 3dm5 h LEU 293 N 0.14 -1.27 0.00 3.04 5.85 -0.66 0.19 115.31 122.60 3dm5 h LEU 293 Ca 0.07 0.22 0.00 0.00 0.84 0.00 0.00 57.88 59.01 3dm5 h LEU 293 Cb 0.03 0.60 0.00 0.00 0.37 0.00 0.00 40.66 41.66 3dm5 h LEU 293 CO -0.06 -0.32 0.00 0.18 -0.34 0.00 0.00 178.44 177.89 3dm5 n LEU 294 N -5.42 0.00 -2.63 2.25 4.77 -0.25 -4.55 117.00 111.17 3dm5 n LEU 294 Ca 0.02 0.15 -0.16 0.00 -0.03 0.00 0.00 56.01 55.99 3dm5 n LEU 294 Cb 0.35 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.35 3dm5 n LEU 294 CO 0.02 -0.01 0.16 0.61 -1.33 0.00 0.00 177.39 176.84 3dm5 n GLY 295 N 0.96 -0.08 3.86 -0.72 0.00 0.66 -4.43 105.19 105.45 3dm5 n GLY 295 Ca 0.17 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -5.30 3.57 -1.49 0.99 1.43 0.15 -4.20 118.68 113.83 3dm5 s LEU 296 Ca 0.37 1.38 -0.07 0.00 -1.03 0.00 0.00 54.13 54.78 3dm5 s LEU 296 Cb -0.16 -4.33 0.06 0.00 0.03 0.00 0.00 46.19 41.78 3dm5 s LEU 296 CO 0.50 -0.62 0.64 0.61 0.23 0.00 0.00 176.35 177.72 3dm5 n GLY 297 N -1.87 -0.33 2.88 -3.19 0.00 -1.26 -4.76 105.19 96.65 3dm5 n GLY 297 Ca 0.05 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.89 4.76 -0.19 1.61 2.03 -1.26 -4.69 116.55 115.92 3dm5 n ASP 298 Ca -0.15 -3.03 -0.09 0.00 0.52 0.00 0.00 54.79 52.04 3dm5 n ASP 298 Cb 0.61 -1.54 0.01 0.00 -0.72 0.00 0.00 41.12 39.48 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 3.90 1.26 -0.78 5.18 1.08 -1.96 -2.51 117.51 123.68 3dm5 h ILE 299 Ca 0.44 -1.04 0.16 0.00 -0.39 0.00 0.00 64.86 64.03 3dm5 h ILE 299 Cb 0.65 0.86 -0.10 0.00 -3.07 0.00 0.00 36.82 35.16 3dm5 h ILE 299 CO 1.67 0.37 0.30 -0.61 -0.69 0.00 0.00 178.15 179.20 3dm5 h GLN 300 N 0.82 0.41 -0.32 2.37 5.75 -2.00 -0.23 115.11 121.90 3dm5 h GLN 300 Ca 0.16 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 3dm5 h GLN 300 Cb 0.47 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 3dm5 h GLN 300 CO 0.02 0.27 0.21 0.78 -2.65 0.00 0.00 178.83 177.46 3dm5 h GLY 301 N 0.42 0.45 1.05 2.39 0.00 -1.86 -1.48 103.07 104.04 3dm5 h GLY 301 Ca 0.44 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 3dm5 h GLY 301 CO -0.44 0.17 0.41 -2.00 0.00 0.00 0.00 176.54 174.67 3dm5 h LEU 302 N 0.44 1.11 0.54 3.11 5.85 -0.79 -2.51 115.31 123.05 3dm5 h LEU 302 Ca 0.12 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3dm5 h LEU 302 Cb -0.05 -0.28 0.01 0.00 0.37 0.00 0.00 40.66 40.70 3dm5 h LEU 302 CO -0.03 0.93 -0.26 0.25 -0.34 0.00 0.00 178.44 179.00 3dm5 h LEU 303 N 1.21 -0.61 -0.93 2.25 5.85 -0.86 -2.55 115.31 119.67 3dm5 h LEU 303 Ca 0.29 -0.02 0.26 0.00 0.84 0.00 0.00 57.88 59.25 3dm5 h LEU 303 Cb 0.12 0.16 -0.14 0.00 0.37 0.00 0.00 40.66 41.17 3dm5 h LEU 303 CO -0.04 -0.36 0.40 -0.33 -0.34 0.00 0.00 178.44 177.77 3dm5 h GLU 304 N -0.84 0.30 -0.46 1.25 4.39 -1.14 0.19 114.58 118.27 3dm5 h GLU 304 Ca -0.07 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.50 3dm5 h GLU 304 Cb 0.60 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.17 3dm5 h GLU 304 CO 0.12 0.20 -0.13 -0.22 -1.16 0.00 0.00 179.01 177.82 3dm5 h LYS 305 N 0.30 0.86 0.01 2.33 3.64 -1.25 -0.47 116.57 122.00 3dm5 h LYS 305 Ca 0.62 -0.31 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3dm5 h LYS 305 Cb 1.29 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3dm5 h LYS 305 CO -0.61 0.94 -0.01 0.74 -2.27 0.00 0.00 179.45 178.25 3dm5 h PHE 306 N 0.77 -0.01 -0.26 1.91 0.04 -0.30 -1.85 116.94 117.23 3dm5 h PHE 306 Ca 0.12 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.96 3dm5 h PHE 306 Cb 0.65 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.73 3dm5 h PHE 306 CO 0.04 0.13 -0.28 0.87 -0.60 0.00 0.00 178.31 178.47 3dm5 h LYS 307 N -0.15 -0.27 -0.77 1.51 1.79 -0.66 -1.70 116.57 116.32 3dm5 h LYS 307 Ca -0.00 0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.52 3dm5 h LYS 307 Cb 0.15 0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.82 3dm5 h LYS 307 CO 0.00 -0.18 0.51 0.93 -1.08 0.00 0.00 179.45 179.63 3dm5 h GLU 308 N -0.28 0.93 -0.22 3.15 5.08 -1.01 -1.60 114.58 120.63 3dm5 h GLU 308 Ca 0.14 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 3dm5 h GLU 308 Cb 0.50 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3dm5 h GLU 308 CO -0.42 0.61 -0.29 1.25 -1.00 0.00 0.00 179.01 179.16 3dm5 h LEU 309 N 0.96 0.43 -0.37 1.33 5.85 -0.58 -2.96 115.31 119.97 3dm5 h LEU 309 Ca 0.30 -0.15 -0.18 0.00 0.84 0.00 0.00 57.88 58.69 3dm5 h LEU 309 Cb 0.03 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 3dm5 h LEU 309 CO -0.09 0.71 -0.64 -0.33 -0.34 0.00 0.00 178.44 177.76 3dm5 h GLU 310 N 0.37 0.64 0.00 1.25 5.08 -0.45 -2.91 114.58 118.57 3dm5 h GLU 310 Ca 0.05 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3dm5 h GLU 310 Cb 0.70 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3dm5 h GLU 310 CO 0.05 1.07 0.19 1.63 -1.00 0.00 0.00 179.01 180.96 3dm5 n LYS 311 N -3.94 0.09 -0.05 2.33 4.01 -0.86 -0.49 118.16 119.25 3dm5 n LYS 311 Ca -0.05 0.55 0.07 0.00 -0.51 0.00 0.00 58.31 58.38 3dm5 n LYS 311 Cb 0.66 -1.98 0.32 0.00 -0.51 0.00 0.00 35.03 33.52 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 -1.99 1.34 -0.10 1.97 1.02 -1.10 -4.49 120.64 117.29 3dm5 n GLU 312 Ca -0.01 -0.51 -0.07 0.00 -0.02 0.00 0.00 57.16 56.55 3dm5 n GLU 312 Cb 0.21 -1.26 -0.00 0.00 -0.02 0.00 0.00 31.44 30.37 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 0.95 0.35 -0.79 2.62 3.04 -0.99 -1.11 116.25 120.31 3dm5 h VAL 313 Ca 0.00 0.00 0.17 0.00 -1.01 0.00 0.00 66.70 65.86 3dm5 h VAL 313 Cb 0.21 0.35 -0.11 0.00 -2.01 0.00 0.00 31.29 29.73 3dm5 h VAL 313 CO 0.00 0.00 0.27 -0.33 -1.01 0.00 0.00 177.57 176.50 3dm5 h GLU 314 N -0.20 0.35 -0.13 4.17 4.39 -1.85 0.29 114.58 121.59 3dm5 h GLU 314 Ca 0.18 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 3dm5 h GLU 314 Cb 0.47 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3dm5 h GLU 314 CO -0.47 0.23 0.01 0.82 -1.16 0.00 0.00 179.01 178.44 3dm5 h ILE 315 N 0.36 1.24 -0.77 3.13 2.04 -1.56 -0.79 117.51 121.15 3dm5 h ILE 315 Ca 0.46 -0.76 0.08 0.00 1.00 0.00 0.00 64.86 65.64 3dm5 h ILE 315 Cb 0.79 1.49 -0.07 0.00 -0.74 0.00 0.00 36.82 38.29 3dm5 h ILE 315 CO -0.49 0.22 0.43 0.50 0.00 0.00 0.00 178.15 178.82 3dm5 h LYS 316 N -0.02 0.73 -0.05 2.37 1.63 -0.66 -1.60 116.57 118.97 3dm5 h LYS 316 Ca 0.04 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.69 3dm5 h LYS 316 Cb 0.33 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 3dm5 h LYS 316 CO 0.00 0.48 -0.46 1.49 -3.45 0.00 0.00 179.45 177.52 3dm5 h GLU 317 N 0.75 0.12 -0.09 1.90 4.81 -0.20 -1.99 114.58 119.88 3dm5 h GLU 317 Ca 0.36 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.35 3dm5 h GLU 317 Cb 0.30 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 3dm5 h GLU 317 CO -0.23 0.56 -0.70 1.49 -0.73 0.00 0.00 179.01 179.40 3dm5 h GLU 318 N 0.10 0.43 -0.67 1.92 4.81 -0.65 -1.24 114.58 119.28 3dm5 h GLU 318 Ca 0.00 -0.34 0.04 0.00 -0.13 0.00 0.00 59.36 58.93 3dm5 h GLU 318 Cb 0.85 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.25 3dm5 h GLU 318 CO 0.07 0.97 0.41 -0.44 -0.73 0.00 0.00 179.01 179.28 3dm5 h ASP 319 N 0.30 0.65 -0.07 1.04 3.32 -0.92 -2.45 116.42 118.30 3dm5 h ASP 319 Ca -0.03 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 3dm5 h ASP 319 Cb 1.27 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3dm5 h ASP 319 CO 0.12 0.44 -0.11 0.40 -1.72 0.00 0.00 179.24 178.37 3dm5 h ILE 320 N 0.78 1.41 -1.17 0.35 2.04 -1.29 -2.57 117.51 117.07 3dm5 h ILE 320 Ca 0.28 -1.39 0.34 0.00 1.00 0.00 0.00 64.86 65.08 3dm5 h ILE 320 Cb 0.06 2.17 -0.05 0.00 -0.74 0.00 0.00 36.82 38.26 3dm5 h ILE 320 CO -0.13 0.39 0.83 -0.33 0.00 0.00 0.00 178.15 178.91 3dm5 h GLU 321 N -0.29 0.05 0.00 2.37 5.08 -1.16 0.48 114.58 121.12 3dm5 h GLU 321 Ca 0.00 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3dm5 h GLU 321 Cb 0.68 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3dm5 h GLU 321 CO 0.03 0.03 -0.44 -0.09 -1.00 0.00 0.00 179.01 177.54 3dm5 h ARG 322 N 0.05 0.00 -0.03 2.33 2.43 -1.04 -3.02 114.38 115.10 3dm5 h ARG 322 Ca 0.57 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.64 3dm5 h ARG 322 Cb 2.17 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.73 3dm5 h ARG 322 CO -0.05 0.44 -0.39 0.74 -1.51 0.00 0.00 179.97 179.19 3dm5 h PHE 323 N 0.00 0.45 -0.30 2.20 0.04 0.16 -1.56 116.94 117.93 3dm5 h PHE 323 Ca -0.00 -0.23 0.09 0.00 2.80 0.00 0.00 57.97 60.63 3dm5 h PHE 323 Cb 1.11 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 3dm5 h PHE 323 CO 0.00 1.01 0.28 -0.07 -0.60 0.00 0.00 178.31 178.93 3dm5 h LEU 324 N -0.24 0.00 -0.66 1.54 3.38 -1.31 0.80 115.31 118.82 3dm5 h LEU 324 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3dm5 h LEU 324 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3dm5 h LEU 324 CO 0.08 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.15 3dm5 n ARG 325 N -3.95 1.42 -1.14 1.13 1.74 -1.15 -4.38 116.66 110.33 3dm5 n ARG 325 Ca 0.04 -0.65 -0.05 0.00 -0.77 0.00 0.00 57.85 56.43 3dm5 n ARG 325 Cb 0.44 -1.18 -0.02 0.00 -1.02 0.00 0.00 32.46 30.67 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 0.83 0.73 3.31 -0.13 0.00 0.28 -4.97 105.19 105.24 3dm5 n GLY 326 Ca 0.08 -0.42 -0.46 0.00 0.00 0.00 0.00 46.02 45.23 3dm5 n GLY 326 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dm5 s LYS 327 N -1.94 3.73 -0.21 1.61 -2.85 -0.59 -4.97 119.74 114.51 3dm5 s LYS 327 Ca 0.00 -2.72 -0.04 0.00 -1.00 0.00 0.00 55.97 52.21 3dm5 s LYS 327 Cb 0.00 -4.42 0.09 0.00 -2.06 0.00 0.00 37.83 31.44 3dm5 s LYS 327 CO 0.00 -1.27 0.17 0.12 0.10 0.00 0.00 175.35 174.47 3dm5 s PHE 328 N -0.32 -0.07 0.60 1.78 5.36 -1.26 -3.88 117.98 120.19 3dm5 s PHE 328 Ca 0.22 -0.10 0.02 0.00 -0.96 0.00 0.00 56.93 56.10 3dm5 s PHE 328 Cb -0.10 -0.54 0.07 0.00 -0.34 0.00 0.00 43.02 42.11 3dm5 s PHE 328 CO -0.09 -0.62 0.84 0.95 -1.46 0.00 0.00 175.22 174.84 3dm5 s THR 329 N 2.24 2.47 0.44 0.12 -4.23 -1.26 -4.96 115.64 110.45 3dm5 s THR 329 Ca 0.06 -0.68 0.17 0.00 -1.18 0.00 0.00 61.69 60.05 3dm5 s THR 329 Cb -0.16 -2.78 0.19 0.00 1.34 0.00 0.00 72.50 71.09 3dm5 s THR 329 CO -0.15 0.00 1.99 -0.07 -0.54 0.00 0.00 174.62 175.85 3dm5 h LEU 330 N -0.09 0.00 0.02 4.79 4.07 -1.61 -1.76 115.31 120.73 3dm5 h LEU 330 Ca -0.39 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.59 3dm5 h LEU 330 Cb 1.29 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.00 3dm5 h LEU 330 CO 0.47 0.19 -0.12 0.50 -1.08 0.00 0.00 178.44 178.40 3dm5 h LYS 331 N 0.00 -0.20 -0.99 1.13 1.63 -1.94 0.20 116.57 116.39 3dm5 h LYS 331 Ca -0.00 0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.82 3dm5 h LYS 331 Cb 0.36 0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 31.99 3dm5 h LYS 331 CO 0.02 -0.14 0.64 -0.44 -3.45 0.00 0.00 179.45 176.09 3dm5 h ASP 332 N -0.21 1.15 0.35 4.20 3.45 -1.73 -2.08 116.42 121.56 3dm5 h ASP 332 Ca 0.04 -0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 3dm5 h ASP 332 Cb 0.26 -0.29 0.00 0.00 -0.56 0.00 0.00 39.33 38.74 3dm5 h ASP 332 CO -0.11 0.85 -0.17 -0.03 -1.57 0.00 0.00 179.24 178.21 3dm5 h MET 333 N 1.35 -0.46 -0.99 3.56 4.05 -1.01 -1.01 114.93 120.43 3dm5 h MET 333 Ca 0.36 0.03 0.35 0.00 -0.28 0.00 0.00 59.70 60.16 3dm5 h MET 333 Cb -0.13 0.10 -0.17 0.00 -0.80 0.00 0.00 31.60 30.60 3dm5 h MET 333 CO -0.08 -0.15 0.43 -0.92 0.23 0.00 0.00 176.91 176.43 3dm5 h TYR 334 N -0.96 0.65 -0.22 1.39 3.20 -0.61 0.27 116.97 120.68 3dm5 h TYR 334 Ca -0.05 0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 3dm5 h TYR 334 Cb 0.52 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 3dm5 h TYR 334 CO 0.03 -0.36 -0.28 0.00 -1.64 0.00 0.00 178.16 175.90 3dm5 h ALA 335 N 1.93 0.34 -0.18 1.82 0.00 -1.20 -2.29 119.26 119.68 3dm5 h ALA 335 Ca 0.74 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 55.26 3dm5 h ALA 335 Cb 1.80 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 3dm5 h ALA 335 CO -0.74 0.34 0.12 1.96 0.00 0.00 0.00 179.25 180.93 3dm5 h GLN 336 N 0.28 0.21 0.01 0.00 1.08 0.84 -0.42 115.11 117.12 3dm5 h GLN 336 Ca 0.03 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3dm5 h GLN 336 Cb 0.86 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 3dm5 h GLN 336 CO 0.07 0.14 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.01 3dm5 h LEU 337 N 0.22 -0.01 -0.99 1.46 3.38 -1.08 -1.82 115.31 116.47 3dm5 h LEU 337 Ca 0.07 -0.03 0.34 0.00 0.09 0.00 0.00 57.88 58.34 3dm5 h LEU 337 Cb 0.01 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.61 3dm5 h LEU 337 CO -0.01 0.50 0.49 -0.33 0.09 0.00 0.00 178.44 179.18 3dm5 h GLU 338 N -1.00 0.19 0.39 1.13 3.07 -1.38 0.47 114.58 117.45 3dm5 h GLU 338 Ca -0.00 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 3dm5 h GLU 338 Cb 0.05 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 3dm5 h GLU 338 CO 0.00 0.13 -0.32 0.00 -1.40 0.00 0.00 179.01 177.42 3dm5 h ALA 339 N 1.89 -0.73 -0.03 3.43 0.00 -1.11 -3.01 119.26 119.70 3dm5 h ALA 339 Ca 0.74 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.52 3dm5 h ALA 339 Cb 1.74 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.98 3dm5 h ALA 339 CO -0.68 -0.94 0.01 0.52 0.00 0.00 0.00 179.25 178.16 3dm5 h MET 340 N -0.72 0.04 0.00 0.00 2.86 0.78 0.13 114.93 118.02 3dm5 h MET 340 Ca -0.03 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3dm5 h MET 340 Cb 0.63 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3dm5 h MET 340 CO -0.02 0.04 0.00 2.89 1.06 0.00 0.00 176.91 180.88 3dm5 n ARG 341 N -4.52 0.50 0.00 1.72 1.85 -0.34 -0.60 116.66 115.27 3dm5 n ARG 341 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 3dm5 n ARG 341 Cb 0.10 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.03 3dm5 n ARG 341 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3dm5 n LYS 342 N -0.98 0.55 0.00 2.89 4.01 0.39 -4.49 118.16 120.53 3dm5 n LYS 342 Ca 0.12 -0.78 0.04 0.00 -0.51 0.00 0.00 58.31 57.17 3dm5 n LYS 342 Cb 0.05 -0.90 0.23 0.00 -0.51 0.00 0.00 35.03 33.90 3dm5 n LYS 342 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 3dm5 n MET 343 N -0.17 0.23 -3.76 1.97 2.81 0.23 -4.47 117.12 113.96 3dm5 n MET 343 Ca 0.00 0.03 -0.19 0.00 -1.81 0.00 0.00 57.70 55.73 3dm5 n MET 343 Cb 0.15 -1.50 -0.17 0.00 -0.71 0.00 0.00 33.22 30.99 3dm5 n MET 343 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3dm5 s GLY 344 N -2.07 0.23 -0.77 3.03 0.00 -1.26 -5.10 107.32 101.37 3dm5 s GLY 344 Ca 0.11 0.17 -0.23 0.00 0.00 0.00 0.00 44.72 44.77 3dm5 s GLY 344 CO 0.09 1.05 1.90 -1.05 0.00 0.00 0.00 173.10 175.09 3dm5 n PRO 345 N 4.80 1.36 -3.69 2.90 -0.02 -1.26 -5.00 135.00 134.09 3dm5 n PRO 345 Ca -0.14 -1.87 -0.12 0.00 -2.02 0.00 0.00 63.50 59.35 3dm5 n PRO 345 Cb 0.50 -3.04 -0.09 0.00 -0.02 0.00 0.00 33.50 30.85 3dm5 n PRO 345 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3dm5 s SER 366 N 5.50 -0.57 0.00 2.55 1.04 -1.26 -5.11 113.70 115.85 3dm5 s SER 366 Ca 0.61 1.06 0.00 0.00 0.48 0.00 0.00 55.95 58.10 3dm5 s SER 366 Cb 0.12 1.03 0.00 0.00 0.10 0.00 0.00 66.02 67.27 3dm5 s SER 366 CO 0.15 -0.19 0.00 2.30 0.98 0.00 0.00 173.24 176.48 3dm5 n ILE 367 N 3.24 0.00 0.00 -1.02 -5.35 -1.26 -5.18 119.36 109.79 3dm5 n ILE 367 Ca -0.16 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 3dm5 n ILE 367 Cb 0.56 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 3dm5 n ILE 367 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dm5 n GLY 368 N 0.31 1.09 0.01 3.28 0.00 -1.26 -4.67 105.19 103.94 3dm5 n GLY 368 Ca 0.00 -2.26 0.09 0.00 0.00 0.00 0.00 46.02 43.85 3dm5 n GLY 368 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dm5 n GLU 369 N -1.13 0.60 -0.08 1.61 4.07 -1.26 -3.71 120.64 120.73 3dm5 n GLU 369 Ca 0.00 -0.16 -0.11 0.00 -0.06 0.00 0.00 57.16 56.83 3dm5 n GLU 369 Cb 0.00 -1.43 -0.15 0.00 -0.06 0.00 0.00 31.44 29.80 3dm5 n GLU 369 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 3dm5 n GLU 370 N -2.09 0.68 -0.02 5.31 -0.58 -1.26 -3.17 120.64 119.52 3dm5 n GLU 370 Ca -0.03 0.09 -0.10 0.00 -0.42 0.00 0.00 57.16 56.69 3dm5 n GLU 370 Cb 0.47 -1.58 0.04 0.00 -0.57 0.00 0.00 31.44 29.79 3dm5 n GLU 370 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3dm5 h ARG 371 N 0.00 0.63 -0.54 3.49 2.43 -1.83 -2.16 114.38 116.40 3dm5 h ARG 371 Ca -0.50 -0.39 -0.07 0.00 -0.81 0.00 0.00 59.98 58.21 3dm5 h ARG 371 Cb 2.14 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 31.72 3dm5 h ARG 371 CO 0.03 1.00 0.07 1.25 -1.51 0.00 0.00 179.97 180.81 3dm5 h LEU 372 N 0.49 0.89 -1.41 3.80 6.46 -1.73 -0.82 115.31 122.98 3dm5 h LEU 372 Ca 0.01 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.50 3dm5 h LEU 372 Cb 1.09 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.76 3dm5 h LEU 372 CO 0.11 0.94 0.36 0.50 -0.62 0.00 0.00 178.44 179.73 3dm5 h LYS 373 N 0.80 0.76 0.04 1.25 3.64 -1.48 -1.20 116.57 120.38 3dm5 h LYS 373 Ca 0.16 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.26 3dm5 h LYS 373 Cb 0.44 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3dm5 h LYS 373 CO 0.02 0.51 -1.03 -0.22 -2.27 0.00 0.00 179.45 176.46 3dm5 h LYS 374 N 0.78 0.30 -0.57 1.90 3.64 -1.16 -3.14 116.57 118.32 3dm5 h LYS 374 Ca 0.21 -0.39 -0.03 0.00 -1.27 0.00 0.00 60.65 59.17 3dm5 h LYS 374 Cb -0.07 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 3dm5 h LYS 374 CO -0.04 1.11 0.22 0.74 -2.27 0.00 0.00 179.45 179.20 3dm5 h PHE 375 N 0.14 0.88 0.08 1.91 0.04 -0.44 -2.67 116.94 116.88 3dm5 h PHE 375 Ca -0.09 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.61 3dm5 h PHE 375 Cb 1.70 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 39.57 3dm5 h PHE 375 CO 0.05 0.71 -0.16 -0.22 -0.60 0.00 0.00 178.31 178.10 3dm5 h LYS 376 N 0.79 -0.25 -1.60 1.51 3.64 -1.31 -2.03 116.57 117.32 3dm5 h LYS 376 Ca 0.19 0.02 0.51 0.00 -1.27 0.00 0.00 60.65 60.10 3dm5 h LYS 376 Cb 0.21 0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 31.97 3dm5 h LYS 376 CO -0.01 -0.17 1.08 0.28 -2.27 0.00 0.00 179.45 178.36 3dm5 h VAL 377 N -0.26 0.00 0.06 2.00 2.07 -1.49 0.19 116.25 118.83 3dm5 h VAL 377 Ca -0.01 -0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.34 3dm5 h VAL 377 Cb 0.24 0.00 0.02 0.00 -1.52 0.00 0.00 31.29 30.03 3dm5 h VAL 377 CO -0.06 0.00 -0.72 0.40 0.02 0.00 0.00 177.57 177.21 3dm5 h ILE 378 N 0.00 1.45 -0.10 4.57 2.04 -1.09 -3.24 117.51 121.15 3dm5 h ILE 378 Ca 0.91 -2.27 -0.05 0.00 1.00 0.00 0.00 64.86 64.44 3dm5 h ILE 378 Cb 3.19 2.82 -0.01 0.00 -0.74 0.00 0.00 36.82 42.08 3dm5 h ILE 378 CO -0.31 0.66 -0.19 0.24 0.00 0.00 0.00 178.15 178.55 3dm5 h MET 379 N -0.18 0.16 0.00 2.37 2.86 0.00 -1.29 114.93 118.87 3dm5 h MET 379 Ca -0.11 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3dm5 h MET 379 Cb 1.47 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.11 3dm5 h MET 379 CO 0.14 0.36 0.00 -0.25 1.06 0.00 0.00 176.91 178.21 3dm5 n ASP 380 N -4.25 0.00 -0.10 1.22 9.92 -0.33 -0.65 116.55 122.36 3dm5 n ASP 380 Ca -0.01 -0.60 0.01 0.00 -0.53 0.00 0.00 54.79 53.66 3dm5 n ASP 380 Cb 0.29 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.78 3dm5 n ASP 380 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 3dm5 n SER 381 N -0.94 1.05 -4.85 -2.24 2.88 -0.49 -4.99 113.62 104.04 3dm5 n SER 381 Ca 0.11 -1.02 -0.32 0.00 -1.33 0.00 0.00 58.87 56.30 3dm5 n SER 381 Cb 0.05 0.18 -0.06 0.00 -0.75 0.00 0.00 64.21 63.63 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 -0.43 3.98 0.85 -1.46 -1.94 0.18 -4.76 119.30 115.71 3dm5 s MET 382 Ca 0.03 0.63 -0.10 0.00 -1.71 0.00 0.00 55.69 54.53 3dm5 s MET 382 Cb 0.02 -2.45 0.15 0.00 2.01 0.00 0.00 34.83 34.56 3dm5 s MET 382 CO 0.05 0.17 1.18 0.95 -0.01 0.00 0.00 175.02 177.37 3dm5 s THR 383 N -1.97 2.07 0.26 2.05 -4.23 -1.26 -4.87 115.64 107.70 3dm5 s THR 383 Ca 0.53 -0.19 -0.01 0.00 -1.18 0.00 0.00 61.69 60.85 3dm5 s THR 383 Cb -0.10 -2.88 0.08 0.00 1.34 0.00 0.00 72.50 70.93 3dm5 s THR 383 CO 0.18 0.00 1.72 -0.08 -0.54 0.00 0.00 174.62 175.90 3dm5 h GLU 384 N -1.16 0.67 -0.35 3.99 4.57 -1.98 -0.64 114.58 119.67 3dm5 h GLU 384 Ca -0.42 -0.22 -0.14 0.00 -1.18 0.00 0.00 59.36 57.39 3dm5 h GLU 384 Cb 1.26 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 3dm5 h GLU 384 CO 0.44 0.78 -0.35 1.05 -1.18 0.00 0.00 179.01 179.75 3dm5 h GLU 385 N 0.61 0.81 -0.35 1.92 4.11 -1.97 -2.30 114.58 117.40 3dm5 h GLU 385 Ca 0.10 -0.40 -0.03 0.00 0.07 0.00 0.00 59.36 59.10 3dm5 h GLU 385 Cb 0.58 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3dm5 h GLU 385 CO 0.04 1.03 0.09 0.93 0.07 0.00 0.00 179.01 181.17 3dm5 h GLU 386 N 0.67 0.56 0.00 1.06 5.08 -1.76 0.32 114.58 120.51 3dm5 h GLU 386 Ca 0.06 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3dm5 h GLU 386 Cb 0.91 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 3dm5 h GLU 386 CO 0.08 0.61 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.46 3dm5 h LEU 387 N 0.41 0.00 0.00 1.33 3.38 -1.09 -2.85 115.31 116.49 3dm5 h LEU 387 Ca 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3dm5 h LEU 387 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3dm5 h LEU 387 CO 0.00 0.17 -1.90 0.18 0.09 0.00 0.00 178.44 176.98 3dm5 n LEU 388 N -3.88 0.11 -3.21 1.67 4.77 -0.87 -1.59 117.00 114.00 3dm5 n LEU 388 Ca -0.02 0.05 -0.23 0.00 -0.03 0.00 0.00 56.01 55.77 3dm5 n LEU 388 Cb 0.26 0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 3dm5 n LEU 388 CO 0.33 0.02 -0.21 0.59 -1.33 0.00 0.00 177.39 176.79 3dm5 n ASN 389 N -2.35 1.05 0.13 -1.43 3.02 0.11 -4.84 115.26 110.94 3dm5 n ASN 389 Ca -0.06 -2.92 0.19 0.00 -0.03 0.00 0.00 54.58 51.77 3dm5 n ASN 389 Cb 0.61 -0.64 0.77 0.00 -0.61 0.00 0.00 39.78 39.91 3dm5 n ASN 389 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3dm5 h PRO 390 N 3.75 0.00 -0.94 3.52 0.11 -1.73 -0.11 132.00 136.60 3dm5 h PRO 390 Ca 0.10 0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.41 3dm5 h PRO 390 Cb 0.85 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.88 3dm5 h PRO 390 CO 0.54 0.00 0.61 1.05 -0.21 0.00 0.00 178.00 179.99 3dm5 h GLU 391 N 0.00 0.52 0.00 1.05 4.11 -1.93 -1.74 114.58 116.59 3dm5 h GLU 391 Ca 0.16 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.56 3dm5 h GLU 391 Cb 0.93 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3dm5 h GLU 391 CO -0.00 0.35 0.00 0.44 0.07 0.00 0.00 179.01 179.86 3dm5 n ILE 392 N -4.59 0.14 -1.95 -1.06 -5.35 -0.05 -4.79 119.36 101.71 3dm5 n ILE 392 Ca 0.21 0.04 -0.39 0.00 -0.27 0.00 0.00 62.75 62.33 3dm5 n ILE 392 Cb 0.65 -0.60 -0.03 0.00 -1.74 0.00 0.00 39.64 37.93 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 -2.58 3.32 0.00 7.28 1.01 -0.66 -4.95 121.20 124.62 3dm5 s ILE 393 Ca 0.25 0.22 0.00 0.00 0.00 0.00 0.00 60.65 61.12 3dm5 s ILE 393 Cb 0.18 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.93 3dm5 s ILE 393 CO 0.41 -0.65 0.00 0.59 0.00 0.00 0.00 174.94 175.28 3dm5 n ASN 394 N 12.79 -0.87 -0.07 3.58 4.13 -1.26 -4.87 115.26 128.69 3dm5 n ASN 394 Ca 0.24 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 56.27 3dm5 n ASN 394 Cb 0.51 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.63 3dm5 n ASN 394 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3dm5 n TYR 395 N -1.86 0.96 -0.18 3.10 4.02 -1.26 -3.73 117.16 118.20 3dm5 n TYR 395 Ca 0.00 0.31 -0.08 0.00 -0.01 0.00 0.00 57.90 58.12 3dm5 n TYR 395 Cb 0.00 -1.11 0.07 0.00 -0.02 0.00 0.00 39.34 38.28 3dm5 n TYR 395 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3dm5 h SER 396 N -0.54 0.97 -0.73 7.72 4.64 -2.00 -2.50 113.55 121.11 3dm5 h SER 396 Ca -0.42 -0.26 0.12 0.00 -0.47 0.00 0.00 61.79 60.75 3dm5 h SER 396 Cb 1.64 -0.26 -0.08 0.00 -0.31 0.00 0.00 62.40 63.39 3dm5 h SER 396 CO -0.11 1.02 0.33 0.03 -0.87 0.00 0.00 176.83 177.22 3dm5 h ARG 397 N 0.91 0.50 -0.00 4.77 3.08 -1.93 0.14 114.38 121.86 3dm5 h ARG 397 Ca 0.17 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 3dm5 h ARG 397 Cb 0.52 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 3dm5 h ARG 397 CO 0.03 0.33 -0.12 0.82 -1.07 0.00 0.00 179.97 179.96 3dm5 h ILE 398 N 0.52 1.09 -0.04 2.04 2.04 -1.54 0.72 117.51 122.33 3dm5 h ILE 398 Ca 0.38 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 3dm5 h ILE 398 Cb 0.49 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3dm5 h ILE 398 CO -0.33 0.12 -0.07 0.11 0.00 0.00 0.00 178.15 177.98 3dm5 h LYS 399 N 0.00 0.12 -0.93 2.37 1.57 -0.61 -2.00 116.57 117.09 3dm5 h LYS 399 Ca -0.00 -0.08 0.13 0.00 -1.87 0.00 0.00 60.65 58.83 3dm5 h LYS 399 Cb 0.22 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.45 3dm5 h LYS 399 CO 0.02 0.63 0.56 -0.09 -0.57 0.00 0.00 179.45 180.00 3dm5 h ARG 400 N -0.37 0.83 0.02 3.15 2.43 -0.23 -0.71 114.38 119.50 3dm5 h ARG 400 Ca 0.00 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3dm5 h ARG 400 Cb 0.62 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3dm5 h ARG 400 CO 0.02 0.55 -0.01 0.82 -1.51 0.00 0.00 179.97 179.83 3dm5 h ILE 401 N 0.85 1.42 -0.71 1.20 2.04 -0.85 0.24 117.51 121.70 3dm5 h ILE 401 Ca 0.48 -1.47 0.03 0.00 1.00 0.00 0.00 64.86 64.89 3dm5 h ILE 401 Cb 0.54 2.39 -0.04 0.00 -0.74 0.00 0.00 36.82 38.97 3dm5 h ILE 401 CO -0.29 0.37 0.47 0.00 0.00 0.00 0.00 178.15 178.70 3dm5 h ALA 402 N 0.25 1.56 -0.11 1.87 0.00 -1.25 0.27 119.26 121.84 3dm5 h ALA 402 Ca -0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3dm5 h ALA 402 Cb 0.63 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3dm5 h ALA 402 CO 0.01 0.38 -0.04 -0.09 0.00 0.00 0.00 179.25 179.50 3dm5 h ARG 403 N 0.89 0.23 -0.07 0.00 2.43 -1.08 0.58 114.38 117.36 3dm5 h ARG 403 Ca 0.28 -0.10 -0.10 0.00 -0.81 0.00 0.00 59.98 59.26 3dm5 h ARG 403 Cb 0.01 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3dm5 h ARG 403 CO -0.07 0.56 -0.40 0.78 -1.51 0.00 0.00 179.97 179.33 3dm5 h GLY 404 N -0.11 0.17 1.10 2.80 0.00 -0.31 -2.59 103.07 104.12 3dm5 h GLY 404 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3dm5 h GLY 404 CO 0.01 0.14 -0.46 -1.14 0.00 0.00 0.00 176.54 175.09 3dm5 n SER 405 N -4.04 0.46 -3.23 0.19 3.41 0.88 -4.92 113.62 106.37 3dm5 n SER 405 Ca -0.02 -0.16 -0.16 0.00 -0.26 0.00 0.00 58.87 58.28 3dm5 n SER 405 Cb 0.46 0.18 0.08 0.00 -0.26 0.00 0.00 64.21 64.66 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 1.49 -0.37 3.37 5.00 0.00 0.18 -4.88 105.19 109.97 3dm5 n GLY 406 Ca 0.06 0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 3dm5 n GLY 406 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dm5 s THR 407 N -3.34 0.32 0.29 2.61 -4.23 0.18 -5.02 115.64 106.45 3dm5 s THR 407 Ca 0.04 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.30 3dm5 s THR 407 Cb -0.01 -2.47 -0.09 0.00 1.34 0.00 0.00 72.50 71.27 3dm5 s THR 407 CO 0.68 0.00 0.90 -0.94 -0.54 0.00 0.00 174.62 174.71 3dm5 s SER 408 N -3.43 7.31 0.48 3.99 1.04 -1.26 -4.35 113.70 117.48 3dm5 s SER 408 Ca 0.34 1.76 0.24 0.00 0.48 0.00 0.00 55.95 58.77 3dm5 s SER 408 Cb 0.04 -2.55 1.32 0.00 0.10 0.00 0.00 66.02 64.93 3dm5 s SER 408 CO 0.19 -0.02 1.71 0.71 0.98 0.00 0.00 173.24 176.81 3dm5 h THR 409 N 2.71 0.00 -0.05 2.02 1.35 -1.91 0.31 112.91 117.33 3dm5 h THR 409 Ca -0.47 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.37 3dm5 h THR 409 Cb 1.19 0.54 -0.00 0.00 -1.73 0.00 0.00 68.15 68.15 3dm5 h THR 409 CO 0.65 0.00 -0.04 0.11 -0.25 0.00 0.00 175.52 175.99 3dm5 h LYS 410 N 0.00 0.12 -0.75 4.72 6.56 -1.96 -1.59 116.57 123.67 3dm5 h LYS 410 Ca 0.00 -0.06 0.13 0.00 -1.06 0.00 0.00 60.65 59.66 3dm5 h LYS 410 Cb 0.43 -0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.01 3dm5 h LYS 410 CO 0.00 0.54 0.33 -0.44 -2.06 0.00 0.00 179.45 177.82 3dm5 h ASP 411 N -0.29 0.37 -0.34 0.86 3.32 -0.78 0.40 116.42 119.96 3dm5 h ASP 411 Ca 0.01 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 3dm5 h ASP 411 Cb 0.51 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 3dm5 h ASP 411 CO 0.01 0.17 0.11 0.58 -1.72 0.00 0.00 179.24 178.39 3dm5 h VAL 412 N 0.51 1.20 0.00 -1.35 2.07 -1.30 -2.37 116.25 115.02 3dm5 h VAL 412 Ca 0.40 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 3dm5 h VAL 412 Cb 0.54 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3dm5 h VAL 412 CO -0.35 0.22 -0.26 0.11 0.02 0.00 0.00 177.57 177.31 3dm5 h LYS 413 N 0.39 0.00 0.43 1.57 1.57 -0.89 -1.94 116.57 117.70 3dm5 h LYS 413 Ca 0.11 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3dm5 h LYS 413 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 3dm5 h LYS 413 CO -0.00 0.26 -0.25 0.93 -0.57 0.00 0.00 179.45 179.82 3dm5 h GLU 414 N 0.00 -0.61 -0.81 3.15 4.39 -0.55 -1.39 114.58 118.76 3dm5 h GLU 414 Ca -0.00 0.04 0.19 0.00 0.34 0.00 0.00 59.36 59.93 3dm5 h GLU 414 Cb 0.80 0.14 -0.15 0.00 -0.10 0.00 0.00 28.75 29.44 3dm5 h GLU 414 CO 0.03 -0.41 -0.04 1.25 -1.16 0.00 0.00 179.01 178.69 3dm5 h LEU 415 N -0.63 -0.46 -1.81 1.33 6.46 -1.36 0.77 115.31 119.60 3dm5 h LEU 415 Ca -0.06 0.22 -0.02 0.00 -0.12 0.00 0.00 57.88 57.90 3dm5 h LEU 415 Cb 0.50 0.40 -0.00 0.00 -0.73 0.00 0.00 40.66 40.83 3dm5 h LEU 415 CO 0.07 -0.23 -0.09 -0.07 -0.62 0.00 0.00 178.44 177.50 3dm5 h LEU 416 N 0.07 0.01 0.30 2.25 3.38 -1.24 0.58 115.31 120.66 3dm5 h LEU 416 Ca 0.44 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 3dm5 h LEU 416 Cb 0.78 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3dm5 h LEU 416 CO -0.75 0.10 -0.15 0.44 0.09 0.00 0.00 178.44 178.18 3dm5 h ASP 417 N 0.01 -0.34 -0.91 -0.43 3.32 0.27 -0.48 116.42 117.86 3dm5 h ASP 417 Ca 0.00 -0.18 0.25 0.00 0.02 0.00 0.00 57.03 57.13 3dm5 h ASP 417 Cb 0.16 0.09 -0.14 0.00 0.22 0.00 0.00 39.33 39.66 3dm5 h ASP 417 CO 0.01 0.12 0.32 -0.61 -1.72 0.00 0.00 179.24 177.37 3dm5 h GLN 418 N -0.95 0.24 0.57 3.56 5.75 -0.93 0.34 115.11 123.69 3dm5 h GLN 418 Ca -0.04 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.42 3dm5 h GLN 418 Cb 0.50 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.00 3dm5 h GLN 418 CO 0.07 0.16 -0.33 -0.92 -2.65 0.00 0.00 178.83 175.15 3dm5 h TYR 419 N 0.25 -0.88 -1.05 3.99 5.03 -0.84 -2.18 116.97 121.29 3dm5 h TYR 419 Ca 0.60 -0.01 0.28 0.00 2.58 0.00 0.00 58.73 62.18 3dm5 h TYR 419 Cb 1.24 0.31 -0.12 0.00 1.55 0.00 0.00 36.73 39.72 3dm5 h TYR 419 CO -0.20 -0.50 0.64 0.00 -1.32 0.00 0.00 178.16 176.78 3dm5 h ARG 420 N -0.84 0.42 0.00 1.82 3.08 0.89 0.30 114.38 120.06 3dm5 h ARG 420 Ca -0.08 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3dm5 h ARG 420 Cb 0.66 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3dm5 h ARG 420 CO 0.09 0.28 0.00 1.04 -1.07 0.00 0.00 179.97 180.30 3dm5 n GLN 421 N -4.79 0.00 -0.41 0.04 6.02 0.95 -2.25 117.38 116.94 3dm5 n GLN 421 Ca 0.28 0.19 0.35 0.00 -0.01 0.00 0.00 57.00 57.80 3dm5 n GLN 421 Cb 0.89 -1.13 0.62 0.00 1.02 0.00 0.00 30.24 31.64 3dm5 n GLN 421 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3dm5 h MET 422 N 0.00 0.08 0.07 -1.09 2.86 -0.82 -1.34 114.93 114.70 3dm5 h MET 422 Ca 0.00 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3dm5 h MET 422 Cb 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3dm5 h MET 422 CO 0.00 0.05 -0.04 -0.22 1.06 0.00 0.00 176.91 177.76 3dm5 h LYS 423 N 0.08 -0.10 -0.95 1.72 3.64 -0.90 -2.06 116.57 118.00 3dm5 h LYS 423 Ca 0.83 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 60.39 3dm5 h LYS 423 Cb 2.44 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 34.20 3dm5 h LYS 423 CO -0.52 -0.07 0.60 0.87 -2.27 0.00 0.00 179.45 178.06 3dm5 h LYS 424 N -0.10 0.65 -0.52 1.90 1.57 -0.90 0.18 116.57 119.34 3dm5 h LYS 424 Ca -0.01 -0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.84 3dm5 h LYS 424 Cb 0.08 -0.15 -0.10 0.00 0.08 0.00 0.00 32.23 32.15 3dm5 h LYS 424 CO 0.01 0.43 -0.10 1.25 -0.57 0.00 0.00 179.45 180.48 3dm5 h LEU 425 N 0.67 -0.42 -0.05 2.94 6.46 -1.23 0.44 115.31 124.13 3dm5 h LEU 425 Ca 0.51 0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 58.40 3dm5 h LEU 425 Cb 0.88 0.30 -0.00 0.00 -0.73 0.00 0.00 40.66 41.11 3dm5 h LEU 425 CO -0.26 -0.15 -0.02 -0.26 -0.62 0.00 0.00 178.44 177.13 3dm5 h PHE 426 N 0.03 0.12 -0.81 1.25 0.04 -0.03 -2.66 116.94 114.87 3dm5 h PHE 426 Ca 0.26 -0.03 0.21 0.00 2.80 0.00 0.00 57.97 61.21 3dm5 h PHE 426 Cb 0.39 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.47 3dm5 h PHE 426 CO -0.41 0.47 0.56 0.87 -0.60 0.00 0.00 178.31 179.20 3dm5 h LYS 427 N -0.26 0.17 -1.47 1.51 6.56 -0.29 0.12 116.57 122.92 3dm5 h LYS 427 Ca 0.01 -0.01 -0.64 0.00 -1.06 0.00 0.00 60.65 58.95 3dm5 h LYS 427 Cb 0.43 -0.04 -0.37 0.00 -0.57 0.00 0.00 32.23 31.69 3dm5 h LYS 427 CO 0.01 0.11 -0.07 -1.13 -2.06 0.00 0.00 179.45 176.31 3dm5 n SER 428 N -4.39 5.86 -4.87 0.86 3.41 0.15 -4.83 113.62 109.80 3dm5 n SER 428 Ca 0.17 -3.77 -0.21 0.00 -0.26 0.00 0.00 58.87 54.80 3dm5 n SER 428 Cb 0.76 -0.67 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 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 -3.73 2.67 0.35 4.33 1.00 0.43 -4.89 119.30 119.46 3dm5 s MET 429 Ca 0.51 -1.37 0.09 0.00 0.00 0.00 0.00 55.69 54.92 3dm5 s MET 429 Cb 0.42 -2.47 -0.06 0.00 0.00 0.00 0.00 34.83 32.73 3dm5 s MET 429 CO -0.20 -0.03 -0.01 0.54 0.00 0.00 0.00 175.02 175.32 3dm5 s ASN 430 N -4.07 4.04 0.00 3.03 2.20 -1.26 -4.97 114.94 113.92 3dm5 s ASN 430 Ca 0.44 -1.08 0.00 0.00 -0.94 0.00 0.00 52.86 51.28 3dm5 s ASN 430 Cb -0.05 -0.47 0.00 0.00 -2.00 0.00 0.00 41.25 38.73 3dm5 s ASN 430 CO 0.27 -0.26 0.16 0.29 -2.94 0.00 0.00 177.10 174.62 3dm5 n LYS 431 N -0.93 0.20 -1.72 3.55 5.02 -1.26 -3.16 118.16 119.86 3dm5 n LYS 431 Ca -0.04 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.88 3dm5 n LYS 431 Cb 0.63 -1.28 0.05 0.00 -0.02 0.00 0.00 35.03 34.42 3dm5 n LYS 431 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3dm5 n ARG 432 N 0.70 2.80 -3.75 1.97 0.00 -1.26 -4.91 116.66 112.21 3dm5 n ARG 432 Ca 0.00 -3.51 -0.35 0.00 -0.00 0.00 0.00 57.85 53.98 3dm5 n ARG 432 Cb 0.08 -2.28 -0.10 0.00 -0.00 0.00 0.00 32.46 30.16 3dm5 n ARG 432 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3dm5 s GLN 433 N -3.93 2.50 0.00 2.89 -0.21 -1.19 -5.21 119.66 114.51 3dm5 s GLN 433 Ca 0.57 -2.57 0.09 0.00 0.02 0.00 0.00 55.36 53.46 3dm5 s GLN 433 Cb 0.46 -3.67 0.07 0.00 1.00 0.00 0.00 33.01 30.87 3dm5 s GLN 433 CO -0.22 -1.17 0.78 1.47 -2.12 0.00 0.00 175.29 174.03