#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddh n ASN 2 N 0.00 3.29 0.16 6.12 2.85 0.60 -4.84 115.26 123.44 2ddh n ASN 2 Ca 0.00 1.07 0.11 0.00 -0.11 0.00 0.00 54.58 55.65 2ddh n ASN 2 Cb 0.00 -1.45 0.63 0.00 1.24 0.00 0.00 39.78 40.19 2ddh n ASN 2 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2ddh h PRO 3 N 6.32 0.07 -0.03 1.20 0.13 -1.96 -0.06 132.00 137.66 2ddh h PRO 3 Ca -0.45 -0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 2ddh h PRO 3 Cb 1.25 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2ddh h PRO 3 CO 0.90 0.04 -0.50 -0.44 -0.23 0.00 0.00 178.00 177.78 2ddh h ASP 4 N 0.07 0.09 0.98 1.44 3.45 -1.88 -1.35 116.42 119.22 2ddh h ASP 4 Ca 0.09 -0.04 -0.19 0.00 0.43 0.00 0.00 57.03 57.31 2ddh h ASP 4 Cb 0.26 -0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 38.97 2ddh h ASP 4 CO -0.01 0.58 -1.07 0.25 -1.57 0.00 0.00 179.24 177.42 2ddh h LEU 5 N 0.07 0.00 -0.38 1.55 5.85 -1.43 -3.23 115.31 117.75 2ddh h LEU 5 Ca 0.00 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 2ddh h LEU 5 Cb 0.91 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 2ddh h LEU 5 CO 0.07 0.81 -0.50 -0.09 -0.34 0.00 0.00 178.44 178.38 2ddh h ARG 6 N 0.00 0.82 -0.05 1.25 2.43 -0.78 -2.63 114.38 115.43 2ddh h ARG 6 Ca -0.08 -0.50 -0.09 0.00 -0.81 0.00 0.00 59.98 58.50 2ddh h ARG 6 Cb 1.69 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.27 2ddh h ARG 6 CO 0.09 1.13 -0.39 1.57 -1.51 0.00 0.00 179.97 180.86 2ddh h LYS 7 N 0.64 0.09 -0.32 0.20 2.10 -1.34 -0.91 116.57 117.04 2ddh h LYS 7 Ca 0.03 -0.04 -0.15 0.00 -2.00 0.00 0.00 60.65 58.49 2ddh h LYS 7 Cb 1.09 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.42 2ddh h LYS 7 CO 0.11 0.47 -0.38 0.93 -2.00 0.00 0.00 179.45 178.58 2ddh h GLU 8 N 0.08 0.82 0.00 0.07 4.39 -1.55 -2.31 114.58 116.09 2ddh h GLU 8 Ca 0.01 -0.46 -0.09 0.00 0.34 0.00 0.00 59.36 59.15 2ddh h GLU 8 Cb 0.72 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2ddh h GLU 8 CO 0.05 1.10 -0.44 0.00 -1.16 0.00 0.00 179.01 178.56 2ddh h ARG 9 N 0.60 0.00 -0.04 2.33 3.08 -1.18 -2.90 114.38 116.28 2ddh h ARG 9 Ca 0.04 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.93 2ddh h ARG 9 Cb 0.98 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 2ddh h ARG 9 CO 0.09 0.44 -0.69 0.00 -1.07 0.00 0.00 179.97 178.74 2ddh h ALA 10 N 1.56 0.76 0.00 0.04 0.00 -1.03 -3.09 119.26 117.50 2ddh h ALA 10 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2ddh h ALA 10 Cb 0.86 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2ddh h ALA 10 CO 0.06 0.79 0.00 -1.13 0.00 0.00 0.00 179.25 178.97 2ddh n SER 11 N -3.80 0.13 -4.74 0.00 3.41 -0.88 -4.88 113.62 102.86 2ddh n SER 11 Ca -0.03 0.52 -0.42 0.00 -0.26 0.00 0.00 58.87 58.69 2ddh n SER 11 Cb 0.68 -0.55 -0.00 0.00 -0.26 0.00 0.00 64.21 64.08 2ddh n SER 11 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ddh n ALA 12 N -1.55 1.83 -0.24 7.33 0.00 -1.17 -4.73 120.51 121.99 2ddh n ALA 12 Ca 0.06 0.33 0.12 0.00 0.00 0.00 0.00 53.44 53.95 2ddh n ALA 12 Cb 0.30 -2.34 0.31 0.00 0.00 0.00 0.00 19.45 17.72 2ddh n ALA 12 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2ddh n THR 13 N 0.28 0.90 -4.06 0.00 -2.24 -1.26 -4.97 114.28 102.93 2ddh n THR 13 Ca 0.03 -0.95 -0.10 0.00 -2.27 0.00 0.00 64.05 60.76 2ddh n THR 13 Cb 0.38 0.58 -0.08 0.00 -2.10 0.00 0.00 70.33 69.12 2ddh n THR 13 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2ddh s PHE 14 N -1.10 0.65 -0.51 4.78 -0.12 -1.26 -4.80 117.98 115.62 2ddh s PHE 14 Ca 0.48 -0.97 -0.17 0.00 -0.05 0.00 0.00 56.93 56.22 2ddh s PHE 14 Cb 0.25 -0.16 0.08 0.00 -0.63 0.00 0.00 43.02 42.57 2ddh s PHE 14 CO 0.33 -0.78 0.51 1.21 -0.05 0.00 0.00 175.22 176.45 2ddh s ASN 15 N -3.05 6.18 0.52 1.98 2.47 -1.26 -4.95 114.94 116.83 2ddh s ASN 15 Ca 0.26 -1.31 0.29 0.00 0.42 0.00 0.00 52.86 52.52 2ddh s ASN 15 Cb 0.03 -2.23 1.42 0.00 -1.45 0.00 0.00 41.25 39.03 2ddh s ASN 15 CO 0.07 -0.80 1.91 1.55 -3.72 0.00 0.00 177.10 176.10 2ddh h PRO 16 N 8.89 0.04 -0.89 0.43 0.13 -1.99 -0.60 132.00 138.00 2ddh h PRO 16 Ca -0.29 -0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.98 2ddh h PRO 16 Cb 1.10 -0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.15 2ddh h PRO 16 CO 0.96 0.03 0.57 1.49 -0.23 0.00 0.00 178.00 180.82 2ddh h GLU 17 N 0.04 0.70 -0.22 0.86 4.57 -1.92 0.38 114.58 118.99 2ddh h GLU 17 Ca 0.39 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.46 2ddh h GLU 17 Cb 1.51 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.93 2ddh h GLU 17 CO -0.02 0.46 -0.18 -0.07 -1.18 0.00 0.00 179.01 178.02 2ddh h LEU 18 N 0.72 0.37 -0.27 1.64 3.38 -1.52 -1.58 115.31 118.05 2ddh h LEU 18 Ca 0.45 -0.10 -0.20 0.00 0.09 0.00 0.00 57.88 58.11 2ddh h LEU 18 Cb 0.68 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2ddh h LEU 18 CO -0.21 0.57 -0.70 0.40 0.09 0.00 0.00 178.44 178.59 2ddh h ILE 19 N 0.34 1.30 -0.67 1.22 2.04 -1.07 -2.71 117.51 117.96 2ddh h ILE 19 Ca 0.06 -1.94 0.05 0.00 1.00 0.00 0.00 64.86 64.04 2ddh h ILE 19 Cb 0.52 1.91 -0.05 0.00 -0.74 0.00 0.00 36.82 38.46 2ddh h ILE 19 CO 0.03 0.61 0.39 0.74 0.00 0.00 0.00 178.15 179.92 2ddh h THR 20 N 0.51 1.00 -0.84 -0.27 2.02 -0.69 -0.11 112.91 114.53 2ddh h THR 20 Ca -0.03 -0.25 0.04 0.00 0.77 0.00 0.00 66.41 66.94 2ddh h THR 20 Cb 1.31 0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 67.88 2ddh h THR 20 CO 0.14 0.13 0.54 0.45 0.37 0.00 0.00 175.52 177.15 2ddh h HIS 21 N 0.73 1.00 -0.06 3.16 3.86 -1.19 -1.04 115.15 121.61 2ddh h HIS 21 Ca 0.29 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.52 2ddh h HIS 21 Cb 0.14 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.28 2ddh h HIS 21 CO -0.07 0.56 0.02 0.82 0.86 0.00 0.00 177.93 180.12 2ddh h ILE 22 N 1.02 1.15 -0.92 2.45 2.04 -0.94 0.23 117.51 122.55 2ddh h ILE 22 Ca 0.34 -0.44 0.05 0.00 1.00 0.00 0.00 64.86 65.82 2ddh h ILE 22 Cb 0.05 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 2ddh h ILE 22 CO -0.13 0.12 0.59 -0.07 0.00 0.00 0.00 178.15 178.66 2ddh h LEU 23 N -0.08 0.95 -0.21 1.44 3.38 -0.59 -1.37 115.31 118.83 2ddh h LEU 23 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2ddh h LEU 23 Cb 0.18 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2ddh h LEU 23 CO -0.00 0.63 0.00 0.44 0.09 0.00 0.00 178.44 179.60 2ddh h ASP 24 N 1.10 0.00 0.00 -0.43 3.32 -1.09 -3.47 116.42 115.85 2ddh h ASP 24 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 2ddh h ASP 24 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2ddh h ASP 24 CO -0.15 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.98 2ddh n GLY 25 N 0.96 2.08 0.00 2.75 0.00 -0.43 -4.76 105.19 105.79 2ddh n GLY 25 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2ddh n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ddh n SER 26 N 0.00 0.00 -0.03 1.61 3.41 -0.06 -4.92 113.62 113.64 2ddh n SER 26 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.64 2ddh n SER 26 Cb 0.00 0.00 0.38 0.00 -0.26 0.00 0.00 64.21 64.33 2ddh n SER 26 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2ddh h PRO 27 N 0.00 0.60 -0.09 4.33 0.11 -1.95 -1.93 132.00 133.08 2ddh h PRO 27 Ca 0.00 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.94 2ddh h PRO 27 Cb 0.00 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 2ddh h PRO 27 CO 0.00 0.43 -0.50 1.05 -0.21 0.00 0.00 178.00 178.77 2ddh h GLU 28 N 0.61 0.23 -0.34 1.05 9.09 -1.95 -1.73 114.58 121.54 2ddh h GLU 28 Ca 0.16 -0.13 -0.11 0.00 0.05 0.00 0.00 59.36 59.33 2ddh h GLU 28 Cb -0.01 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 2ddh h GLU 28 CO -0.03 0.68 -0.22 -0.91 0.05 0.00 0.00 179.01 178.58 2ddh h ASN 29 N 0.19 0.79 -0.29 3.06 -0.26 -1.68 0.23 115.58 117.61 2ddh h ASN 29 Ca 0.01 -0.43 0.03 0.00 -0.56 0.00 0.00 56.30 55.35 2ddh h ASN 29 Cb 0.95 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.96 2ddh h ASN 29 CO 0.08 1.05 0.10 0.74 -1.06 0.00 0.00 177.43 178.33 2ddh h THR 30 N 0.53 0.92 -0.50 2.81 2.02 -1.22 0.18 112.91 117.65 2ddh h THR 30 Ca 0.07 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.18 2ddh h THR 30 Cb 0.78 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.84 2ddh h THR 30 CO 0.06 0.04 0.32 -0.09 0.37 0.00 0.00 175.52 176.23 2ddh h ARG 31 N 0.23 0.63 -0.46 6.66 2.43 -1.14 -0.52 114.38 122.20 2ddh h ARG 31 Ca 0.13 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2ddh h ARG 31 Cb 0.09 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 2ddh h ARG 31 CO -0.13 0.42 0.06 -0.09 -1.51 0.00 0.00 179.97 178.72 2ddh h ARG 32 N 0.65 0.77 0.02 0.20 9.65 -0.48 -1.58 114.38 123.62 2ddh h ARG 32 Ca 0.19 -0.21 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2ddh h ARG 32 Cb -0.04 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.45 2ddh h ARG 32 CO -0.06 0.80 -0.01 -0.09 2.80 0.00 0.00 179.97 183.40 2ddh h ARG 33 N 0.64 -0.03 -0.78 0.20 2.43 -0.39 -1.32 114.38 115.13 2ddh h ARG 33 Ca 0.14 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.37 2ddh h ARG 33 Cb 0.40 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 2ddh h ARG 33 CO 0.01 0.14 0.51 0.00 -1.51 0.00 0.00 179.97 179.12 2ddh h ARG 34 N -0.20 0.85 -0.26 0.20 3.08 -1.06 0.37 114.38 117.36 2ddh h ARG 34 Ca -0.00 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.83 2ddh h ARG 34 Cb 0.19 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2ddh h ARG 34 CO 0.01 0.56 -0.49 0.93 -1.07 0.00 0.00 179.97 179.91 2ddh h GLU 35 N 0.87 0.70 -0.37 0.04 5.08 -1.10 -0.90 114.58 118.91 2ddh h GLU 35 Ca 0.33 -0.41 -0.14 0.00 -1.00 0.00 0.00 59.36 58.13 2ddh h GLU 35 Cb 0.18 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2ddh h GLU 35 CO -0.11 1.03 -0.34 0.82 -1.00 0.00 0.00 179.01 179.41 2ddh h ILE 36 N 0.55 1.28 -0.69 3.13 2.04 -0.53 -0.70 117.51 122.59 2ddh h ILE 36 Ca 0.03 -1.51 -0.03 0.00 1.00 0.00 0.00 64.86 64.35 2ddh h ILE 36 Cb 1.05 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 2ddh h ILE 36 CO 0.10 0.50 0.31 -0.33 0.00 0.00 0.00 178.15 178.73 2ddh h GLU 37 N 0.71 1.01 -0.47 2.37 5.08 -0.84 -2.23 114.58 120.21 2ddh h GLU 37 Ca 0.07 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 2ddh h GLU 37 Cb 0.91 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 2ddh h GLU 37 CO 0.08 0.81 -0.02 -0.97 -1.00 0.00 0.00 179.01 177.91 2ddh h ASN 38 N 0.97 0.76 -0.98 1.42 -0.73 -0.94 -0.25 115.58 115.83 2ddh h ASN 38 Ca 0.23 -0.19 0.03 0.00 1.87 0.00 0.00 56.30 58.24 2ddh h ASN 38 Cb 0.15 -0.20 -0.05 0.00 0.27 0.00 0.00 38.32 38.48 2ddh h ASN 38 CO -0.03 0.84 0.65 0.25 -0.37 0.00 0.00 177.43 178.77 2ddh h LEU 39 N 0.73 1.09 0.11 0.34 5.85 -0.57 -2.48 115.31 120.37 2ddh h LEU 39 Ca 0.14 -0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.68 2ddh h LEU 39 Cb 0.48 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.27 2ddh h LEU 39 CO 0.02 0.75 -0.77 0.40 -0.34 0.00 0.00 178.44 178.51 2ddh h ILE 40 N 1.26 1.47 -0.76 4.05 1.08 -1.14 -3.31 117.51 120.16 2ddh h ILE 40 Ca 0.38 -2.47 0.15 0.00 -0.39 0.00 0.00 64.86 62.54 2ddh h ILE 40 Cb -0.03 3.13 -0.10 0.00 -3.07 0.00 0.00 36.82 36.75 2ddh h ILE 40 CO -0.11 0.68 0.27 0.25 -0.69 0.00 0.00 178.15 178.55 2ddh h LEU 41 N -0.50 0.21 -2.20 1.44 5.85 -0.96 -1.48 115.31 117.67 2ddh h LEU 41 Ca -0.15 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2ddh h LEU 41 Cb 1.53 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.68 2ddh h LEU 41 CO 0.10 0.06 0.00 0.59 -0.34 0.00 0.00 178.44 178.84 2ddh n ASN 42 N -5.05 3.30 -4.54 1.25 3.02 -0.94 -4.82 115.26 107.47 2ddh n ASN 42 Ca 0.15 -2.32 -0.40 0.00 -0.03 0.00 0.00 54.58 51.98 2ddh n ASN 42 Cb 0.44 -0.48 -0.10 0.00 -0.61 0.00 0.00 39.78 39.03 2ddh n ASN 42 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2ddh s ASP 43 N -0.72 6.10 0.50 6.41 -1.08 -0.56 -4.97 116.67 122.35 2ddh s ASP 43 Ca 0.33 -0.32 0.19 0.00 -0.52 0.00 0.00 52.55 52.23 2ddh s ASP 43 Cb 0.22 -2.16 1.25 0.00 -1.46 0.00 0.00 42.92 40.77 2ddh s ASP 43 CO 0.15 -0.25 2.05 -0.65 0.52 0.00 0.00 175.17 176.99 2ddh h PRO 44 N 8.47 0.11 0.00 4.34 0.11 -1.88 -2.18 132.00 140.97 2ddh h PRO 44 Ca -0.31 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2ddh h PRO 44 Cb 1.16 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2ddh h PRO 44 CO 0.65 0.07 0.00 -0.44 -0.21 0.00 0.00 178.00 178.07 2ddh h ASP 45 N 0.11 0.00 -0.25 -2.05 3.32 -1.93 -2.32 116.42 113.30 2ddh h ASP 45 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2ddh h ASP 45 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 2ddh h ASP 45 CO -0.02 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 177.99 2ddh n PHE 46 N -3.02 0.33 -3.79 4.55 0.99 -0.82 -4.86 117.46 110.84 2ddh n PHE 46 Ca -0.03 -0.30 -0.29 0.00 -0.00 0.00 0.00 57.45 56.83 2ddh n PHE 46 Cb 0.09 -0.01 -0.04 0.00 -1.00 0.00 0.00 39.48 38.52 2ddh n PHE 46 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 2ddh s GLN 47 N -1.04 3.51 0.05 -1.08 -1.52 -0.87 -5.03 119.66 113.68 2ddh s GLN 47 Ca 0.23 -0.36 -0.27 0.00 -1.95 0.00 0.00 55.36 53.01 2ddh s GLN 47 Cb 0.13 -2.91 0.09 0.00 -0.22 0.00 0.00 33.01 30.10 2ddh s GLN 47 CO 0.18 0.49 1.20 -3.38 -0.25 0.00 0.00 175.29 173.53 2ddh s HIS 48 N -1.71 0.03 0.69 0.91 -3.43 -1.26 -5.05 115.29 105.47 2ddh s HIS 48 Ca 0.37 -0.23 -0.17 0.00 -0.80 0.00 0.00 55.06 54.23 2ddh s HIS 48 Cb -0.12 0.60 0.01 0.00 -1.43 0.00 0.00 32.58 31.65 2ddh s HIS 48 CO 0.28 -0.49 1.26 -1.21 -2.00 0.00 0.00 174.74 172.58 2ddh s GLU 49 N -2.16 2.33 0.14 -0.38 0.41 -1.26 -4.90 118.70 112.87 2ddh s GLU 49 Ca 0.24 1.95 -0.35 0.00 -0.41 0.00 0.00 54.97 56.41 2ddh s GLU 49 Cb -0.00 -1.83 -0.15 0.00 -1.78 0.00 0.00 34.13 30.37 2ddh s GLU 49 CO 0.01 -1.74 1.51 -3.47 -0.49 0.00 0.00 175.26 171.08 2ddh n ASP 50 N -2.28 2.68 -0.34 -0.19 -0.08 -1.26 -4.86 116.55 110.22 2ddh n ASP 50 Ca 0.15 1.09 0.10 0.00 -1.51 0.00 0.00 54.79 54.63 2ddh n ASP 50 Cb 0.49 -1.36 0.28 0.00 2.34 0.00 0.00 41.12 42.87 2ddh n ASP 50 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 2ddh h TYR 51 N 5.54 1.01 0.00 -0.67 -1.99 -1.95 0.11 116.97 119.02 2ddh h TYR 51 Ca -0.46 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.31 2ddh h TYR 51 Cb 1.28 -0.30 0.00 0.00 2.00 0.00 0.00 36.73 39.71 2ddh h TYR 51 CO 0.62 0.26 0.00 -0.91 -0.00 0.00 0.00 178.16 178.13 2ddh h ASN 52 N 0.77 0.00 -0.14 3.88 2.35 -1.99 -1.27 115.58 119.18 2ddh h ASN 52 Ca 0.54 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.29 2ddh h ASN 52 Cb 0.76 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.13 2ddh h ASN 52 CO -0.36 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 175.91 2ddh n PHE 53 N -2.71 0.16 -4.23 1.19 0.99 0.39 -4.93 117.46 108.32 2ddh n PHE 53 Ca -0.01 -0.08 -0.29 0.00 -0.00 0.00 0.00 57.45 57.07 2ddh n PHE 53 Cb 0.12 0.00 -0.09 0.00 -1.00 0.00 0.00 39.48 38.50 2ddh n PHE 53 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2ddh s LEU 54 N -1.78 3.07 0.91 4.37 1.43 -0.48 -4.77 118.68 121.43 2ddh s LEU 54 Ca 0.34 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.91 2ddh s LEU 54 Cb 0.20 -1.83 0.14 0.00 0.03 0.00 0.00 46.19 44.73 2ddh s LEU 54 CO 0.30 0.15 1.09 0.42 0.23 0.00 0.00 176.35 178.55 2ddh s THR 55 N -1.36 2.54 0.22 5.49 -4.23 -1.26 -4.76 115.64 112.27 2ddh s THR 55 Ca 0.23 0.17 -0.09 0.00 -1.18 0.00 0.00 61.69 60.82 2ddh s THR 55 Cb -0.10 -2.67 0.17 0.00 1.34 0.00 0.00 72.50 71.23 2ddh s THR 55 CO 0.15 -0.23 1.87 -0.09 -0.54 0.00 0.00 174.62 175.77 2ddh h ARG 56 N -1.61 0.94 -0.84 3.99 2.43 -1.94 -0.79 114.38 116.56 2ddh h ARG 56 Ca -0.50 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 58.66 2ddh h ARG 56 Cb 1.29 -0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 30.57 2ddh h ARG 56 CO 0.55 0.62 0.53 1.03 -1.51 0.00 0.00 179.97 181.20 2ddh h SER 57 N 0.97 0.85 0.63 -3.80 0.87 -1.91 -0.59 113.55 110.57 2ddh h SER 57 Ca 0.30 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.77 2ddh h SER 57 Cb -0.01 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 2ddh h SER 57 CO -0.10 0.56 -0.50 1.56 -0.53 0.00 0.00 176.83 177.81 2ddh h GLN 58 N 0.99 0.00 -0.23 2.24 4.20 -1.76 -1.85 115.11 118.70 2ddh h GLN 58 Ca 0.36 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.96 2ddh h GLN 58 Cb 0.12 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 2ddh h GLN 58 CO -0.15 0.50 -0.26 0.00 -0.67 0.00 0.00 178.83 178.24 2ddh h ARG 59 N 0.00 0.58 -0.50 1.46 3.08 -0.01 -0.84 114.38 118.16 2ddh h ARG 59 Ca -0.00 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 2ddh h ARG 59 Cb 0.95 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 2ddh h ARG 59 CO 0.06 0.92 0.29 -0.92 -1.07 0.00 0.00 179.97 179.26 2ddh h TYR 60 N 0.28 0.66 0.14 3.04 3.20 -1.04 -1.28 116.97 121.97 2ddh h TYR 60 Ca 0.03 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 2ddh h TYR 60 Cb 0.83 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.89 2ddh h TYR 60 CO 0.08 0.47 -0.07 1.49 -1.64 0.00 0.00 178.16 178.49 2ddh h GLU 61 N 0.66 -0.18 -0.24 1.82 4.81 -1.21 0.76 114.58 121.00 2ddh h GLU 61 Ca 0.18 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 2ddh h GLU 61 Cb 0.01 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2ddh h GLU 61 CO -0.03 -0.12 0.01 -0.24 -0.73 0.00 0.00 179.01 177.90 2ddh h VAL 62 N -0.18 1.14 -0.11 0.32 3.04 -1.07 0.30 116.25 119.68 2ddh h VAL 62 Ca -0.02 -0.56 -0.01 0.00 -1.01 0.00 0.00 66.70 65.11 2ddh h VAL 62 Cb 0.14 0.96 -0.00 0.00 -2.01 0.00 0.00 31.29 30.38 2ddh h VAL 62 CO 0.03 0.19 0.05 0.00 -1.01 0.00 0.00 177.57 176.83 2ddh h ALA 63 N 1.68 0.14 -0.42 3.17 0.00 -0.65 0.30 119.26 123.48 2ddh h ALA 63 Ca 0.08 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2ddh h ALA 63 Cb 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2ddh h ALA 63 CO 0.00 -0.29 0.27 0.28 0.00 0.00 0.00 179.25 179.52 2ddh h VAL 64 N 0.04 1.09 0.03 0.00 2.07 -0.17 0.35 116.25 119.66 2ddh h VAL 64 Ca 0.04 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.39 2ddh h VAL 64 Cb 0.14 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2ddh h VAL 64 CO -0.00 0.10 -0.14 0.50 0.02 0.00 0.00 177.57 178.05 2ddh h LYS 65 N 0.55 -0.23 -0.42 1.57 3.64 -0.69 -1.04 116.57 119.94 2ddh h LYS 65 Ca 0.16 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 2ddh h LYS 65 Cb -0.05 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 2ddh h LYS 65 CO -0.04 -0.16 -0.07 0.87 -2.27 0.00 0.00 179.45 177.78 2ddh h LYS 66 N -0.24 0.73 -0.44 1.90 1.57 -0.70 -2.28 116.57 117.10 2ddh h LYS 66 Ca 0.04 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.53 2ddh h LYS 66 Cb 0.29 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2ddh h LYS 66 CO -0.12 0.79 0.02 0.77 -0.57 0.00 0.00 179.45 180.35 2ddh h SER 67 N 0.67 0.75 -0.54 0.86 0.02 -0.68 0.30 113.55 114.94 2ddh h SER 67 Ca 0.12 -0.30 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 2ddh h SER 67 Cb 0.52 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 2ddh h SER 67 CO 0.03 0.86 0.21 0.00 -1.14 0.00 0.00 176.83 176.79 2ddh h ALA 68 N 0.92 0.70 -0.37 3.77 0.00 -1.09 -2.06 119.26 121.14 2ddh h ALA 68 Ca 0.13 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2ddh h ALA 68 Cb 0.46 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2ddh h ALA 68 CO 0.02 0.33 -0.12 1.15 0.00 0.00 0.00 179.25 180.63 2ddh h THR 69 N 0.74 1.25 -0.32 0.00 2.02 -1.27 -2.75 112.91 112.58 2ddh h THR 69 Ca 0.18 -1.12 0.03 0.00 0.77 0.00 0.00 66.41 66.27 2ddh h THR 69 Cb 0.22 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 2ddh h THR 69 CO -0.01 0.37 0.14 -0.03 0.37 0.00 0.00 175.52 176.36 2ddh h MET 70 N 0.60 0.29 -0.43 6.66 -1.53 0.12 -0.48 114.93 120.16 2ddh h MET 70 Ca 0.10 -0.02 -0.04 0.00 -3.44 0.00 0.00 59.70 56.30 2ddh h MET 70 Cb 0.55 -0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.52 2ddh h MET 70 CO 0.03 0.19 0.10 0.28 0.14 0.00 0.00 176.91 177.66 2ddh h VAL 71 N 0.30 1.23 -0.18 -5.77 2.07 -1.26 -2.08 116.25 110.56 2ddh h VAL 71 Ca 0.14 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2ddh h VAL 71 Cb 0.07 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2ddh h VAL 71 CO -0.11 0.28 0.12 0.50 0.02 0.00 0.00 177.57 178.38 2ddh h LYS 72 N 0.56 0.24 -0.39 1.57 3.64 -1.18 -2.55 116.57 118.45 2ddh h LYS 72 Ca 0.13 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.36 2ddh h LYS 72 Cb 0.32 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2ddh h LYS 72 CO 0.00 0.16 -0.32 0.87 -2.27 0.00 0.00 179.45 177.89 2ddh h LYS 73 N 0.24 0.90 -0.52 1.90 1.57 -1.05 -0.13 116.57 119.47 2ddh h LYS 73 Ca 0.07 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 58.39 2ddh h LYS 73 Cb -0.03 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2ddh h LYS 73 CO -0.02 1.10 0.30 0.52 -0.57 0.00 0.00 179.45 180.78 2ddh h MET 74 N 0.71 0.71 -0.30 3.15 2.86 -1.36 0.79 114.93 121.49 2ddh h MET 74 Ca 0.07 -0.06 -0.18 0.00 -2.06 0.00 0.00 59.70 57.46 2ddh h MET 74 Cb 0.90 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 2ddh h MET 74 CO 0.08 0.51 -0.54 -0.09 1.06 0.00 0.00 176.91 177.94 2ddh h ARG 75 N 0.72 0.88 -0.42 1.72 2.43 -1.23 0.27 114.38 118.75 2ddh h ARG 75 Ca 0.19 -0.55 -0.13 0.00 -0.81 0.00 0.00 59.98 58.68 2ddh h ARG 75 Cb -0.00 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2ddh h ARG 75 CO -0.03 1.19 -0.25 1.49 -1.51 0.00 0.00 179.97 180.86 2ddh h GLU 76 N 0.68 0.91 0.00 0.20 4.57 0.12 -2.89 114.58 118.17 2ddh h GLU 76 Ca 0.02 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 2ddh h GLU 76 Cb 1.14 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 2ddh h GLU 76 CO 0.12 1.07 0.00 0.66 -1.18 0.00 0.00 179.01 179.68 2ddh n TYR 77 N -4.16 0.00 -3.16 0.92 4.01 0.26 -4.92 117.16 110.12 2ddh n TYR 77 Ca -0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.55 2ddh n TYR 77 Cb 0.47 -0.30 0.05 0.00 -0.31 0.00 0.00 39.34 39.24 2ddh n TYR 77 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2ddh n GLY 78 N 1.24 -0.21 3.57 2.72 0.00 -0.16 -4.96 105.19 107.40 2ddh n GLY 78 Ca 0.13 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2ddh n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ddh s ILE 79 N -3.17 4.73 0.00 -0.61 1.01 0.77 -4.84 121.20 119.09 2ddh s ILE 79 Ca 0.37 0.73 0.00 0.00 0.00 0.00 0.00 60.65 61.76 2ddh s ILE 79 Cb -0.16 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.08 2ddh s ILE 79 CO 0.46 -0.49 0.00 -1.54 0.00 0.00 0.00 174.94 173.37 2ddh n SER 80 N 6.45 3.89 -4.68 3.58 3.41 -1.26 -4.73 113.62 120.28 2ddh n SER 80 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.21 2ddh n SER 80 Cb 0.48 0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 65.12 2ddh n SER 80 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2ddh s ASP 81 N -1.71 6.50 0.40 4.04 2.15 -1.26 -4.87 116.67 121.93 2ddh s ASP 81 Ca 0.00 2.62 0.15 0.00 0.43 0.00 0.00 52.55 55.75 2ddh s ASP 81 Cb 0.00 -2.56 1.01 0.00 -0.30 0.00 0.00 42.92 41.08 2ddh s ASP 81 CO 0.00 -0.98 1.86 1.55 -0.17 0.00 0.00 175.17 177.44 2ddh h PRO 82 N 9.02 0.46 -0.10 4.34 0.13 -1.98 0.11 132.00 143.98 2ddh h PRO 82 Ca -0.45 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2ddh h PRO 82 Cb 1.21 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 2ddh h PRO 82 CO 0.94 0.31 -0.05 1.49 -0.23 0.00 0.00 178.00 180.46 2ddh h GLU 83 N 0.48 0.21 -0.70 0.86 4.81 -2.00 -1.98 114.58 116.27 2ddh h GLU 83 Ca 0.45 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.53 2ddh h GLU 83 Cb 1.02 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 2ddh h GLU 83 CO -0.18 0.56 0.20 0.93 -0.73 0.00 0.00 179.01 179.78 2ddh h GLU 84 N -0.14 1.08 -0.86 1.92 5.08 -1.69 -1.91 114.58 118.07 2ddh h GLU 84 Ca 0.02 -0.24 0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2ddh h GLU 84 Cb 0.49 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 2ddh h GLU 84 CO 0.01 0.94 0.52 0.82 -1.00 0.00 0.00 179.01 180.31 2ddh h ILE 85 N 1.04 1.01 0.12 3.13 2.04 -0.73 0.16 117.51 124.26 2ddh h ILE 85 Ca 0.22 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2ddh h ILE 85 Cb 0.32 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 2ddh h ILE 85 CO -0.00 0.17 -0.06 -0.03 0.00 0.00 0.00 178.15 178.23 2ddh h MET 86 N 0.93 -0.15 -0.32 2.37 4.05 -0.77 -0.57 114.93 120.48 2ddh h MET 86 Ca 0.38 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.87 2ddh h MET 86 Cb 0.22 0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 31.00 2ddh h MET 86 CO -0.19 0.09 -0.05 -1.49 0.23 0.00 0.00 176.91 175.49 2ddh h TRP 87 N -0.37 -0.11 0.08 1.39 6.55 -0.87 0.47 115.95 123.09 2ddh h TRP 87 Ca -0.02 0.03 0.02 0.00 0.95 0.00 0.00 58.89 59.87 2ddh h TRP 87 Cb 0.30 0.10 -0.05 0.00 -0.86 0.00 0.00 29.16 28.65 2ddh h TRP 87 CO -0.00 -0.11 -0.36 0.35 -1.05 0.00 0.00 178.44 177.27 2ddh h PHE 88 N 0.03 -0.99 -0.59 0.49 3.57 -0.56 -0.86 116.94 118.03 2ddh h PHE 88 Ca 0.15 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.72 2ddh h PHE 88 Cb 0.22 0.43 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 2ddh h PHE 88 CO -0.27 -0.46 0.33 0.87 -2.23 0.00 0.00 178.31 176.55 2ddh h LYS 89 N -0.56 0.62 -0.30 1.11 1.57 -0.70 -0.99 116.57 117.32 2ddh h LYS 89 Ca 0.04 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2ddh h LYS 89 Cb 0.61 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2ddh h LYS 89 CO -0.24 0.41 0.15 -0.91 -0.57 0.00 0.00 179.45 178.30 2ddh h ASN 90 N 0.64 0.23 -0.25 0.86 -0.26 -0.61 -1.55 115.58 114.65 2ddh h ASN 90 Ca 0.25 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 56.00 2ddh h ASN 90 Cb 0.10 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 2ddh h ASN 90 CO -0.14 0.17 0.13 0.28 -1.06 0.00 0.00 177.43 176.82 2ddh h SER 91 N 0.32 0.31 -0.94 5.81 0.02 -0.77 -0.63 113.55 117.67 2ddh h SER 91 Ca 0.12 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2ddh h SER 91 Cb 0.03 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.45 2ddh h SER 91 CO -0.08 0.31 0.62 0.58 -1.14 0.00 0.00 176.83 177.12 2ddh h VAL 92 N 0.28 1.25 -0.33 2.27 2.07 -0.99 -3.00 116.25 117.80 2ddh h VAL 92 Ca 0.09 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2ddh h VAL 92 Cb 0.07 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.71 2ddh h VAL 92 CO -0.01 0.24 0.00 1.41 0.02 0.00 0.00 177.57 179.23 2ddh n HIS 93 N -4.41 0.42 -2.65 1.57 8.25 -0.60 -4.95 115.22 112.85 2ddh n HIS 93 Ca 0.11 -0.21 -0.14 0.00 -0.26 0.00 0.00 57.72 57.21 2ddh n HIS 93 Cb 0.02 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.13 2ddh n HIS 93 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2ddh n ARG 94 N 1.16 -2.59 0.00 -0.41 1.74 -0.25 -0.51 116.66 115.79 2ddh n ARG 94 Ca 0.18 0.54 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 2ddh n ARG 94 Cb 0.53 -5.17 0.00 0.00 -1.02 0.00 0.00 32.46 26.80 2ddh n ARG 94 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2ddh n GLY 95 N -0.88 1.67 3.83 -0.13 0.00 -1.15 -4.81 105.19 103.72 2ddh n GLY 95 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 2ddh n GLY 95 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ddh s HIS 96 N -2.44 3.36 0.83 1.61 3.76 0.33 -5.04 115.29 117.70 2ddh s HIS 96 Ca 0.00 1.54 -0.11 0.00 -0.15 0.00 0.00 55.06 56.34 2ddh s HIS 96 Cb 0.00 -2.84 0.09 0.00 1.11 0.00 0.00 32.58 30.95 2ddh s HIS 96 CO 0.00 -0.28 1.13 -2.14 -0.85 0.00 0.00 174.74 172.60 2ddh s PRO 97 N -3.61 1.71 -0.03 8.40 0.02 -1.26 -4.83 135.00 135.39 2ddh s PRO 97 Ca 0.61 1.42 -0.03 0.00 0.02 0.00 0.00 61.00 63.03 2ddh s PRO 97 Cb -0.10 -1.82 0.01 0.00 0.02 0.00 0.00 34.50 32.62 2ddh s PRO 97 CO 0.22 -2.09 0.08 -1.83 -0.33 0.00 0.00 177.00 173.05 2ddh s GLU 98 N -4.63 0.08 0.43 5.54 4.04 -1.26 -4.68 118.70 118.22 2ddh s GLU 98 Ca 0.66 0.14 0.20 0.00 0.04 0.00 0.00 54.97 56.00 2ddh s GLU 98 Cb -0.21 0.01 1.09 0.00 0.02 0.00 0.00 34.13 35.04 2ddh s GLU 98 CO 0.55 -0.03 1.56 -1.00 -1.84 0.00 0.00 175.26 174.49 2ddh h PRO 99 N 6.20 0.00 -0.65 -4.83 0.13 -1.87 -1.87 132.00 129.11 2ddh h PRO 99 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2ddh h PRO 99 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ddh h PRO 99 CO 0.46 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.51 2ddh n LEU 100 N -2.35 4.60 -0.01 1.56 4.77 -1.26 -4.07 117.00 120.24 2ddh n LEU 100 Ca -0.01 -2.38 -0.09 0.00 -0.03 0.00 0.00 56.01 53.50 2ddh n LEU 100 Cb 0.29 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 2ddh n LEU 100 CO 0.09 0.84 0.76 -0.78 -1.33 0.00 0.00 177.39 176.97 2ddh h ASP 101 N 4.04 -0.46 1.06 -1.43 -0.00 -1.69 -0.32 116.42 117.62 2ddh h ASP 101 Ca 0.00 0.09 -0.15 0.00 -0.00 0.00 0.00 57.03 56.97 2ddh h ASP 101 Cb 1.37 0.22 -0.02 0.00 -0.00 0.00 0.00 39.33 40.90 2ddh h ASP 101 CO 0.19 -0.19 -0.71 -0.07 -0.00 0.00 0.00 179.24 178.47 2ddh h LEU 102 N -0.17 0.00 -0.06 2.28 3.38 -1.80 0.14 115.31 119.08 2ddh h LEU 102 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2ddh h LEU 102 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2ddh h LEU 102 CO -0.25 0.71 0.04 -0.74 0.09 0.00 0.00 178.44 178.29 2ddh h HIS 103 N 0.00 0.07 0.04 1.13 2.76 -1.27 0.42 115.15 118.30 2ddh h HIS 103 Ca -0.01 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 57.90 2ddh h HIS 103 Cb 1.42 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 30.33 2ddh h HIS 103 CO 0.00 0.05 -1.40 -0.07 -1.30 0.00 0.00 177.93 175.21 2ddh h LEU 104 N 0.08 0.14 0.00 0.26 3.38 -1.10 -1.80 115.31 116.25 2ddh h LEU 104 Ca 0.02 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 2ddh h LEU 104 Cb -0.00 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2ddh h LEU 104 CO -0.00 1.16 -1.12 1.23 0.09 0.00 0.00 178.44 179.80 2ddh h GLY 105 N 2.69 0.00 0.00 0.83 0.00 -0.72 -3.41 103.07 102.46 2ddh h GLY 105 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2ddh h GLY 105 CO 0.12 0.00 -0.55 1.03 0.00 0.00 0.00 176.54 177.14 2ddh n MET 106 N -3.01 0.00 0.06 4.80 2.81 0.30 -4.70 117.12 117.38 2ddh n MET 106 Ca -0.06 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.76 2ddh n MET 106 Cb 0.81 -0.32 -0.04 0.00 -0.71 0.00 0.00 33.22 32.96 2ddh n MET 106 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 2ddh h PHE 107 N 0.00 -0.64 -0.23 2.03 3.57 -0.28 0.13 116.94 121.52 2ddh h PHE 107 Ca 0.00 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.54 2ddh h PHE 107 Cb 0.55 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 2ddh h PHE 107 CO 0.00 -0.26 0.08 -0.07 -2.23 0.00 0.00 178.31 175.83 2ddh h LEU 108 N -0.34 0.09 -0.44 0.59 3.38 -1.57 -2.38 115.31 114.64 2ddh h LEU 108 Ca -0.01 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2ddh h LEU 108 Cb 0.33 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2ddh h LEU 108 CO -0.11 0.08 0.22 -0.65 0.09 0.00 0.00 178.44 178.08 2ddh h PRO 109 N 0.19 0.43 -0.94 1.13 0.11 -1.76 -2.42 132.00 128.75 2ddh h PRO 109 Ca 0.10 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.20 2ddh h PRO 109 Cb 0.06 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 31.03 2ddh h PRO 109 CO -0.10 0.28 0.61 1.15 -0.21 0.00 0.00 178.00 179.74 2ddh h THR 110 N 0.44 1.20 0.00 -1.15 2.02 -0.58 0.11 112.91 114.95 2ddh h THR 110 Ca 0.19 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2ddh h THR 110 Cb 0.10 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.38 2ddh h THR 110 CO -0.14 0.22 0.00 0.18 0.37 0.00 0.00 175.52 176.16 2ddh n LEU 111 N -4.46 0.52 -1.83 2.58 4.77 -0.91 0.34 117.00 118.02 2ddh n LEU 111 Ca 0.11 0.72 0.00 0.00 -0.03 0.00 0.00 56.01 56.82 2ddh n LEU 111 Cb 0.05 -0.76 0.33 0.00 -2.33 0.00 0.00 43.42 40.72 2ddh n LEU 111 CO 0.35 -0.84 0.94 0.18 -1.33 0.00 0.00 177.39 176.69 2ddh n LEU 112 N -2.18 5.70 -0.19 2.23 4.77 0.38 -4.17 117.00 123.54 2ddh n LEU 112 Ca -0.01 -3.12 0.00 0.00 -0.03 0.00 0.00 56.01 52.85 2ddh n LEU 112 Cb 0.06 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.45 2ddh n LEU 112 CO 0.10 0.75 0.00 0.00 -1.33 0.00 0.00 177.39 176.91 2ddh n GLN 114 N 0.05 0.00 -3.90 3.23 0.00 0.15 -4.95 117.38 111.97 2ddh n GLN 114 Ca 0.34 0.00 -0.23 0.00 0.00 0.00 0.00 57.00 57.11 2ddh n GLN 114 Cb 1.27 -0.98 -0.05 0.00 0.00 0.00 0.00 30.24 30.47 2ddh n GLN 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2ddh s ALA 115 N -1.44 3.76 0.82 2.61 0.00 -1.23 -2.52 121.76 123.75 2ddh s ALA 115 Ca 0.00 -1.95 -0.07 0.00 0.00 0.00 0.00 51.96 49.94 2ddh s ALA 115 Cb 0.00 -0.73 0.16 0.00 0.00 0.00 0.00 23.12 22.55 2ddh s ALA 115 CO 0.00 -0.14 1.13 0.95 0.00 0.00 0.00 175.76 177.70 2ddh s THR 116 N -2.50 2.08 0.00 0.00 -4.23 -1.26 -4.52 115.64 105.20 2ddh s THR 116 Ca 0.43 -0.35 -0.18 0.00 -1.18 0.00 0.00 61.69 60.41 2ddh s THR 116 Cb -0.01 -2.73 -0.10 0.00 1.34 0.00 0.00 72.50 71.01 2ddh s THR 116 CO 0.25 0.00 0.93 0.00 -0.54 0.00 0.00 174.62 175.26 2ddh h ALA 117 N -0.98 -0.84 -0.81 3.99 0.00 -1.99 -2.01 119.26 116.62 2ddh h ALA 117 Ca -0.40 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.51 2ddh h ALA 117 Cb 1.25 0.25 -0.14 0.00 0.00 0.00 0.00 17.79 19.15 2ddh h ALA 117 CO 0.40 -0.79 -0.28 -1.91 0.00 0.00 0.00 179.25 176.66 2ddh n GLU 118 N -4.38 -0.16 0.05 0.00 4.07 -1.26 -0.08 120.64 118.89 2ddh n GLU 118 Ca -0.08 1.25 -0.13 0.00 -0.06 0.00 0.00 57.16 58.15 2ddh n GLU 118 Cb 0.25 -1.86 -0.08 0.00 -0.06 0.00 0.00 31.44 29.70 2ddh n GLU 118 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 2ddh h GLN 119 N 0.00 -0.06 -0.76 5.31 4.20 -1.90 -2.64 115.11 119.26 2ddh h GLN 119 Ca 0.31 0.00 0.15 0.00 0.06 0.00 0.00 58.65 59.18 2ddh h GLN 119 Cb 0.51 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.21 2ddh h GLN 119 CO -0.81 0.05 0.27 0.37 -0.67 0.00 0.00 178.83 178.04 2ddh h GLN 120 N -0.16 0.38 0.00 1.46 4.15 0.30 0.40 115.11 121.63 2ddh h GLN 120 Ca -0.01 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2ddh h GLN 120 Cb 0.14 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.75 2ddh h GLN 120 CO 0.01 0.25 0.00 -1.91 -1.93 0.00 0.00 178.83 175.25 2ddh n GLU 121 N -5.05 0.78 -0.03 1.69 0.00 -0.30 -1.34 120.64 116.39 2ddh n GLU 121 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.32 2ddh n GLU 121 Cb 0.44 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.28 2ddh n GLU 121 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2ddh n ARG 122 N -1.10 1.06 0.00 5.31 0.63 0.12 -4.71 116.66 117.98 2ddh n ARG 122 Ca 0.20 -0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 2ddh n ARG 122 Cb 0.15 -1.33 0.00 0.00 0.45 0.00 0.00 32.46 31.73 2ddh n ARG 122 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2ddh n PHE 123 N -2.20 0.00 0.00 -0.14 3.01 -0.10 -4.77 117.46 113.26 2ddh n PHE 123 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 2ddh n PHE 123 Cb 0.61 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.08 2ddh n PHE 123 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2ddh n PHE 124 N -1.73 0.00 -0.34 1.38 7.35 -0.45 -1.86 117.46 121.82 2ddh n PHE 124 Ca 0.00 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.77 2ddh n PHE 124 Cb 0.35 -0.41 0.18 0.00 0.35 0.00 0.00 39.48 39.95 2ddh n PHE 124 CO 0.00 0.00 0.00 0.52 -0.76 0.00 0.00 176.76 176.52 2ddh h MET 125 N 0.00 0.01 -0.67 -4.13 2.86 -1.84 1.23 114.93 112.39 2ddh h MET 125 Ca 0.00 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2ddh h MET 125 Cb 0.00 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.63 2ddh h MET 125 CO 0.00 0.01 0.27 -1.35 1.06 0.00 0.00 176.91 176.90 2ddh h PRO 126 N 0.01 0.99 -0.24 -0.22 0.11 -1.86 -1.47 132.00 129.32 2ddh h PRO 126 Ca 0.50 -0.18 -0.14 0.00 0.11 0.00 0.00 66.00 66.30 2ddh h PRO 126 Cb 0.87 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 2ddh h PRO 126 CO -0.94 0.82 -0.41 0.00 -0.21 0.00 0.00 178.00 177.26 2ddh h ALA 127 N 1.12 0.83 -0.72 -0.75 0.00 0.60 0.37 119.26 120.71 2ddh h ALA 127 Ca 0.22 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 2ddh h ALA 127 Cb 0.20 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2ddh h ALA 127 CO -0.02 0.65 0.24 2.35 0.00 0.00 0.00 179.25 182.47 2ddh h TRP 128 N 0.47 1.12 -0.01 0.00 7.01 0.16 -1.92 115.95 122.79 2ddh h TRP 128 Ca 0.04 -0.10 0.00 0.00 2.11 0.00 0.00 58.89 60.94 2ddh h TRP 128 Cb 0.92 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 27.65 2ddh h TRP 128 CO 0.04 0.88 0.00 0.09 -2.79 0.00 0.00 178.44 176.66 2ddh n ASN 129 N -4.27 0.69 -0.33 2.65 5.03 -0.58 -4.90 115.26 113.55 2ddh n ASN 129 Ca 0.06 -1.23 -0.04 0.00 0.87 0.00 0.00 54.58 54.24 2ddh n ASN 129 Cb 0.21 -0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.95 2ddh n ASN 129 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2ddh n LEU 130 N -0.46 -0.10 0.25 3.41 4.77 -0.72 -4.84 117.00 119.30 2ddh n LEU 130 Ca 0.22 0.11 0.12 0.00 -0.03 0.00 0.00 56.01 56.43 2ddh n LEU 130 Cb 0.22 -1.40 0.65 0.00 -2.33 0.00 0.00 43.42 40.57 2ddh n LEU 130 CO 0.17 -0.43 0.92 -0.33 -1.33 0.00 0.00 177.39 176.40 2ddh h GLU 131 N 0.30 0.00 -5.43 3.23 5.08 -0.51 -3.41 114.58 113.84 2ddh h GLU 131 Ca -0.09 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.82 2ddh h GLU 131 Cb 0.48 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.49 2ddh h GLU 131 CO 0.13 0.15 -0.80 0.42 -1.00 0.00 0.00 179.01 177.91 2ddh s ILE 132 N -3.97 1.19 -0.12 3.13 1.01 -0.94 -4.95 121.20 116.54 2ddh s ILE 132 Ca -0.02 -1.08 0.03 0.00 0.00 0.00 0.00 60.65 59.58 2ddh s ILE 132 Cb 0.12 -1.08 0.01 0.00 0.01 0.00 0.00 42.46 41.51 2ddh s ILE 132 CO 0.59 -0.01 -0.21 0.42 0.00 0.00 0.00 174.94 175.73 2ddh s THR 133 N -0.92 1.90 0.32 2.92 -4.23 -1.26 -4.34 115.64 110.03 2ddh s THR 133 Ca 0.02 -0.90 0.04 0.00 -1.18 0.00 0.00 61.69 59.67 2ddh s THR 133 Cb -0.08 -1.68 -0.06 0.00 1.34 0.00 0.00 72.50 72.02 2ddh s THR 133 CO 0.02 0.52 0.05 -0.83 -0.54 0.00 0.00 174.62 173.84 2ddh s GLY 134 N 0.68 2.07 0.33 3.99 0.00 -1.26 -0.62 107.32 112.51 2ddh s GLY 134 Ca -0.11 -2.06 -0.06 0.00 0.00 0.00 0.00 44.72 42.49 2ddh s GLY 134 CO 0.02 -1.82 0.51 -1.08 0.00 0.00 0.00 173.10 170.73 2ddh s THR 135 N -3.28 0.00 -0.15 0.90 -1.32 -0.92 -2.80 115.64 108.07 2ddh s THR 135 Ca 0.36 -1.50 0.00 0.00 -1.21 0.00 0.00 61.69 59.35 2ddh s THR 135 Cb 0.09 -2.60 0.02 0.00 -1.51 0.00 0.00 72.50 68.50 2ddh s THR 135 CO 0.15 0.00 -0.14 -0.47 -2.21 0.00 0.00 174.62 171.95 2ddh s TYR 136 N -3.14 2.18 -0.42 9.09 5.04 -1.26 -1.06 117.35 127.79 2ddh s TYR 136 Ca 0.27 -1.24 -0.08 0.00 -2.44 0.00 0.00 57.07 53.59 2ddh s TYR 136 Cb -0.01 -1.60 0.09 0.00 0.35 0.00 0.00 41.96 40.79 2ddh s TYR 136 CO 0.17 -0.67 0.24 0.00 -1.34 0.00 0.00 175.55 173.95 2ddh s ALA 137 N 1.48 3.25 -0.01 3.97 0.00 0.08 -4.77 121.76 125.76 2ddh s ALA 137 Ca 0.05 -2.24 -0.02 0.00 0.00 0.00 0.00 51.96 49.75 2ddh s ALA 137 Cb -0.13 -2.59 -0.01 0.00 0.00 0.00 0.00 23.12 20.40 2ddh s ALA 137 CO -0.11 -1.68 -0.04 0.94 0.00 0.00 0.00 175.76 174.87 2ddh n GLN 138 N 4.84 0.06 -1.64 0.00 7.27 -1.26 -2.08 117.38 124.57 2ddh n GLN 138 Ca -0.09 0.02 -0.41 0.00 0.07 0.00 0.00 57.00 56.59 2ddh n GLN 138 Cb 0.42 -0.42 0.01 0.00 2.41 0.00 0.00 30.24 32.66 2ddh n GLN 138 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2ddh n THR 139 N -2.80 2.51 -4.41 1.69 -1.04 -1.26 -4.86 114.28 104.11 2ddh n THR 139 Ca -0.02 -0.50 -0.22 0.00 -2.04 0.00 0.00 64.05 61.28 2ddh n THR 139 Cb 0.06 -1.29 -0.10 0.00 -1.82 0.00 0.00 70.33 67.17 2ddh n THR 139 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2ddh s GLU 140 N -2.09 1.51 0.34 -2.82 2.02 -0.32 -0.83 118.70 116.51 2ddh s GLU 140 Ca 0.63 -1.66 0.08 0.00 0.02 0.00 0.00 54.97 54.04 2ddh s GLU 140 Cb -0.54 -1.50 0.80 0.00 0.10 0.00 0.00 34.13 32.99 2ddh s GLU 140 CO 0.57 0.28 1.85 1.98 0.02 0.00 0.00 175.26 179.95 2ddh h MET 141 N 2.52 0.69 -0.00 1.61 1.85 -0.58 -1.58 114.93 119.44 2ddh h MET 141 Ca -0.40 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 58.65 2ddh h MET 141 Cb 1.24 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 33.11 2ddh h MET 141 CO 0.59 0.46 -0.45 0.41 -0.40 0.00 0.00 176.91 177.52 2ddh n GLY 142 N -1.41 -1.24 3.15 1.39 0.00 -0.07 -4.89 105.19 102.12 2ddh n GLY 142 Ca 0.19 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 2ddh n GLY 142 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ddh s HIS 143 N -2.97 -0.49 0.09 1.61 3.76 -0.59 -5.01 115.29 111.68 2ddh s HIS 143 Ca 0.12 1.07 0.00 0.00 -0.15 0.00 0.00 55.06 56.10 2ddh s HIS 143 Cb 0.18 0.14 0.00 0.00 1.11 0.00 0.00 32.58 34.01 2ddh s HIS 143 CO 0.68 -0.31 0.00 0.41 -0.85 0.00 0.00 174.74 174.66 2ddh n GLY 144 N 4.49 -0.07 0.07 -2.22 0.00 -1.26 -1.17 105.19 105.03 2ddh n GLY 144 Ca -0.21 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 2ddh n GLY 144 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2ddh h THR 145 N 0.00 1.60 -2.26 2.61 2.02 -1.97 -3.41 112.91 111.50 2ddh h THR 145 Ca 0.00 -1.79 -0.68 0.00 0.77 0.00 0.00 66.41 64.71 2ddh h THR 145 Cb 0.32 2.81 -0.17 0.00 -1.74 0.00 0.00 68.15 69.37 2ddh h THR 145 CO 0.00 0.47 0.92 -2.28 0.37 0.00 0.00 175.52 174.99 2ddh s HIS 146 N -3.19 3.07 0.44 3.16 5.65 -1.26 -4.87 115.29 118.29 2ddh s HIS 146 Ca -0.17 -1.35 0.13 0.00 0.25 0.00 0.00 55.06 53.91 2ddh s HIS 146 Cb -0.01 -4.33 0.96 0.00 -1.18 0.00 0.00 32.58 28.03 2ddh s HIS 146 CO 0.69 -1.53 1.99 -0.07 -0.65 0.00 0.00 174.74 175.16 2ddh h LEU 147 N 10.65 0.08 -1.97 8.88 3.38 -1.93 -2.25 115.31 132.15 2ddh h LEU 147 Ca 0.17 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.18 2ddh h LEU 147 Cb 1.02 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2ddh h LEU 147 CO 1.14 0.23 0.17 -0.09 0.09 0.00 0.00 178.44 179.98 2ddh h ARG 148 N 0.09 0.04 -0.00 1.13 2.43 -1.98 -1.58 114.38 114.49 2ddh h ARG 148 Ca 0.02 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2ddh h ARG 148 Cb 0.29 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2ddh h ARG 148 CO 0.02 0.02 -0.01 0.41 -1.51 0.00 0.00 179.97 178.91 2ddh n GLY 149 N -1.57 -0.89 3.66 2.80 0.00 -0.85 -4.91 105.19 103.44 2ddh n GLY 149 Ca 0.02 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 2ddh n GLY 149 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ddh n LEU 150 N -0.87 2.97 -0.00 0.99 4.77 -0.60 -4.92 117.00 119.35 2ddh n LEU 150 Ca 0.22 1.17 0.11 0.00 -0.03 0.00 0.00 56.01 57.48 2ddh n LEU 150 Cb 0.17 -1.41 -0.15 0.00 -2.33 0.00 0.00 43.42 39.70 2ddh n LEU 150 CO 0.19 -0.68 -0.58 -0.62 -1.33 0.00 0.00 177.39 174.37 2ddh n GLU 151 N 1.22 0.54 -1.72 3.23 1.02 -1.26 -4.83 120.64 118.84 2ddh n GLU 151 Ca 0.09 -0.14 -0.43 0.00 -0.02 0.00 0.00 57.16 56.66 2ddh n GLU 151 Cb 0.33 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 2ddh n GLU 151 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2ddh n THR 152 N -2.15 0.47 -4.37 2.62 -1.04 -1.26 -4.69 114.28 103.87 2ddh n THR 152 Ca -0.02 -0.12 -0.27 0.00 -2.04 0.00 0.00 64.05 61.60 2ddh n THR 152 Cb 0.53 -1.90 -0.11 0.00 -1.82 0.00 0.00 70.33 67.03 2ddh n THR 152 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2ddh s THR 153 N 0.60 2.71 -0.33 12.58 -4.23 -0.78 -0.20 115.64 125.98 2ddh s THR 153 Ca 0.71 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 2ddh s THR 153 Cb -0.53 -2.31 0.11 0.00 1.34 0.00 0.00 72.50 71.10 2ddh s THR 153 CO 0.40 -0.10 0.11 0.00 -0.54 0.00 0.00 174.62 174.49 2ddh s ALA 154 N -1.66 1.74 -0.25 3.99 0.00 -0.07 -1.15 121.76 124.36 2ddh s ALA 154 Ca 0.22 -1.88 -0.10 0.00 0.00 0.00 0.00 51.96 50.20 2ddh s ALA 154 Cb -0.08 -1.69 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 2ddh s ALA 154 CO 0.12 -1.73 0.15 0.99 0.00 0.00 0.00 175.76 175.29 2ddh s THR 155 N 1.38 5.13 0.24 0.00 2.01 -0.31 -0.62 115.64 123.46 2ddh s THR 155 Ca 0.11 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.92 2ddh s THR 155 Cb -0.18 -3.41 -0.09 0.00 0.01 0.00 0.00 72.50 68.83 2ddh s THR 155 CO -0.20 0.31 1.16 -0.47 -0.69 0.00 0.00 174.62 174.73 2ddh s TYR 156 N 1.38 3.47 -0.37 4.92 5.04 0.02 0.10 117.35 131.90 2ddh s TYR 156 Ca 0.07 1.55 -0.02 0.00 -2.44 0.00 0.00 57.07 56.23 2ddh s TYR 156 Cb -0.15 -3.38 0.09 0.00 0.35 0.00 0.00 41.96 38.87 2ddh s TYR 156 CO 0.07 -0.95 0.13 0.34 -1.34 0.00 0.00 175.55 173.79 2ddh s ASP 157 N -0.35 5.11 0.58 4.32 3.68 0.92 -4.83 116.67 126.09 2ddh s ASP 157 Ca 0.49 -1.78 0.34 0.00 2.13 0.00 0.00 52.55 53.72 2ddh s ASP 157 Cb -0.33 -1.78 1.79 0.00 -1.45 0.00 0.00 42.92 41.15 2ddh s ASP 157 CO 0.40 -0.44 2.18 1.55 0.13 0.00 0.00 175.17 178.99 2ddh h PRO 158 N 8.00 0.00 -0.16 4.34 0.13 -1.87 0.29 132.00 142.73 2ddh h PRO 158 Ca -0.15 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.80 2ddh h PRO 158 Cb 1.05 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 2ddh h PRO 158 CO 0.63 0.05 -0.64 0.87 -0.23 0.00 0.00 178.00 178.67 2ddh h LYS 159 N 0.00 0.59 -0.03 0.86 1.57 -1.93 -3.31 116.57 114.33 2ddh h LYS 159 Ca -0.00 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2ddh h LYS 159 Cb 0.21 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2ddh h LYS 159 CO 0.01 1.04 0.00 0.25 -0.57 0.00 0.00 179.45 180.18 2ddh n THR 160 N -3.92 0.08 -3.65 -0.16 -2.24 -1.10 -5.01 114.28 98.27 2ddh n THR 160 Ca -0.04 -0.54 -0.24 0.00 -2.27 0.00 0.00 64.05 60.95 2ddh n THR 160 Cb 0.66 1.10 0.04 0.00 -2.10 0.00 0.00 70.33 70.03 2ddh n THR 160 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ddh n GLN 161 N 0.38 -3.07 -4.16 -0.78 6.02 0.99 -4.93 117.38 111.83 2ddh n GLN 161 Ca 0.04 0.58 -0.10 0.00 -0.01 0.00 0.00 57.00 57.51 2ddh n GLN 161 Cb 0.19 -4.85 -0.10 0.00 1.02 0.00 0.00 30.24 26.51 2ddh n GLN 161 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2ddh s GLU 162 N -5.79 0.82 -0.10 -1.09 2.02 -1.08 -2.29 118.70 111.20 2ddh s GLU 162 Ca 0.24 -1.34 -0.03 0.00 0.02 0.00 0.00 54.97 53.86 2ddh s GLU 162 Cb -0.07 -0.11 -0.03 0.00 0.10 0.00 0.00 34.13 34.02 2ddh s GLU 162 CO 0.83 -0.06 0.03 -0.06 0.02 0.00 0.00 175.26 176.01 2ddh s PHE 163 N -3.71 3.24 -0.40 1.61 0.40 0.67 -0.06 117.98 119.73 2ddh s PHE 163 Ca 0.13 0.24 -0.10 0.00 -0.60 0.00 0.00 56.93 56.60 2ddh s PHE 163 Cb 0.06 -1.83 0.06 0.00 0.51 0.00 0.00 43.02 41.82 2ddh s PHE 163 CO -0.05 0.50 0.24 0.42 0.70 0.00 0.00 175.22 177.03 2ddh s ILE 164 N -0.85 4.39 -0.07 0.64 1.01 0.11 -1.45 121.20 124.99 2ddh s ILE 164 Ca 0.13 -1.17 -0.24 0.00 0.00 0.00 0.00 60.65 59.36 2ddh s ILE 164 Cb -0.12 -3.59 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 2ddh s ILE 164 CO 0.03 -0.40 0.74 -0.76 0.00 0.00 0.00 174.94 174.55 2ddh s LEU 165 N 1.48 4.31 -0.03 2.97 2.01 0.78 -1.16 118.68 129.04 2ddh s LEU 165 Ca 0.02 1.24 -0.04 0.00 0.01 0.00 0.00 54.13 55.36 2ddh s LEU 165 Cb -0.22 -3.15 0.01 0.00 0.01 0.00 0.00 46.19 42.84 2ddh s LEU 165 CO 0.04 -0.16 0.11 0.21 1.01 0.00 0.00 176.35 177.56 2ddh s ASN 166 N 0.86 -0.07 -0.62 2.29 2.47 -0.30 -0.01 114.94 119.56 2ddh s ASN 166 Ca 0.39 0.10 -0.02 0.00 0.42 0.00 0.00 52.86 53.75 2ddh s ASN 166 Cb -0.18 0.23 0.16 0.00 -1.45 0.00 0.00 41.25 40.01 2ddh s ASN 166 CO 0.19 -0.12 0.42 -0.44 -3.72 0.00 0.00 177.10 173.43 2ddh s SER 167 N -0.33 5.09 0.52 -4.21 0.01 0.08 -1.86 113.70 113.01 2ddh s SER 167 Ca -0.04 -2.93 0.23 0.00 1.31 0.00 0.00 55.95 54.51 2ddh s SER 167 Cb -0.03 -1.82 1.41 0.00 0.21 0.00 0.00 66.02 65.79 2ddh s SER 167 CO 0.00 -0.33 2.12 1.55 0.41 0.00 0.00 173.24 176.99 2ddh h PRO 168 N 6.88 0.00 -4.96 12.44 0.13 -1.85 -3.45 132.00 141.18 2ddh h PRO 168 Ca -0.02 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.72 2ddh h PRO 168 Cb 0.93 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.92 2ddh h PRO 168 CO 0.71 0.08 -0.60 0.95 -0.23 0.00 0.00 178.00 178.91 2ddh s THR 169 N -4.60 0.63 0.28 1.56 -4.23 -1.26 -5.03 115.64 102.99 2ddh s THR 169 Ca -0.04 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.50 2ddh s THR 169 Cb 0.15 -2.62 0.05 0.00 1.34 0.00 0.00 72.50 71.42 2ddh s THR 169 CO 0.62 0.00 1.70 1.62 -0.54 0.00 0.00 174.62 178.02 2ddh h VAL 170 N 2.26 1.28 0.00 2.29 3.04 -1.99 -2.48 116.25 120.65 2ddh h VAL 170 Ca -0.38 -1.36 -0.04 0.00 -1.01 0.00 0.00 66.70 63.91 2ddh h VAL 170 Cb 1.25 1.46 -0.01 0.00 -2.01 0.00 0.00 31.29 31.98 2ddh h VAL 170 CO 0.60 0.43 -0.20 0.71 -1.01 0.00 0.00 177.57 178.10 2ddh h THR 171 N 0.38 0.50 0.00 3.17 1.35 -1.96 -2.98 112.91 113.37 2ddh h THR 171 Ca 0.05 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 2ddh h THR 171 Cb 0.73 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 2ddh h THR 171 CO 0.06 0.19 0.00 0.77 -0.25 0.00 0.00 175.52 176.29 2ddh h SER 172 N 0.00 0.00 -2.45 5.36 4.64 -1.82 -0.08 113.55 119.21 2ddh h SER 172 Ca -0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 2ddh h SER 172 Cb 0.71 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.86 2ddh h SER 172 CO 0.03 0.00 0.88 -0.38 -0.87 0.00 0.00 176.83 176.48 2ddh n ILE 173 N -2.49 0.05 -1.88 0.95 5.41 -1.13 -4.45 119.36 115.82 2ddh n ILE 173 Ca 0.03 -0.01 -0.39 0.00 1.00 0.00 0.00 62.75 63.38 2ddh n ILE 173 Cb 0.34 -1.71 0.02 0.00 -0.71 0.00 0.00 39.64 37.58 2ddh n ILE 173 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2ddh s LYS 174 N 0.93 3.61 -0.15 0.38 -0.14 -0.80 -0.69 119.74 122.89 2ddh s LYS 174 Ca 0.77 2.27 -0.08 0.00 -1.36 0.00 0.00 55.97 57.57 2ddh s LYS 174 Cb -0.61 -2.56 0.06 0.00 -1.68 0.00 0.00 37.83 33.04 2ddh s LYS 174 CO 0.36 -0.83 0.35 -0.46 -0.76 0.00 0.00 175.35 174.02 2ddh s TRP 175 N -1.26 -0.51 0.00 3.18 -0.11 -0.01 -2.07 118.94 118.15 2ddh s TRP 175 Ca 0.63 1.12 0.00 0.00 1.22 0.00 0.00 56.10 59.07 2ddh s TRP 175 Cb -0.41 0.18 0.00 0.00 -1.50 0.00 0.00 33.47 31.75 2ddh s TRP 175 CO 0.51 -0.31 0.00 0.91 -4.62 0.00 0.00 176.95 173.44 2ddh n TRP 176 N 4.35 0.00 -1.68 5.86 7.02 0.01 -4.33 117.44 128.66 2ddh n TRP 176 Ca -0.23 0.00 -0.64 0.00 -1.02 0.00 0.00 57.50 55.62 2ddh n TRP 176 Cb 0.54 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.34 2ddh n TRP 176 CO 0.00 0.00 0.00 -2.30 -2.02 0.00 0.00 177.69 173.37 2ddh n PRO 177 N 0.00 0.38 -2.07 -0.99 -0.02 -1.24 -4.02 135.00 127.04 2ddh n PRO 177 Ca 0.00 0.14 -0.41 0.00 -2.02 0.00 0.00 63.50 61.21 2ddh n PRO 177 Cb 0.00 -1.71 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 2ddh n PRO 177 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2ddh s GLY 178 N 3.59 2.82 0.00 -1.23 0.00 -1.26 -1.54 107.32 109.71 2ddh s GLY 178 Ca 1.05 1.29 0.00 0.00 0.00 0.00 0.00 44.72 47.06 2ddh s GLY 178 CO 0.75 2.03 0.00 0.61 0.00 0.00 0.00 173.10 176.48 2ddh n GLY 179 N 1.15 1.87 0.09 0.20 0.00 -1.21 -4.54 105.19 102.75 2ddh n GLY 179 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 2ddh n GLY 179 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ddh h LEU 180 N 0.00 0.30 0.36 0.99 6.46 -1.48 -1.29 115.31 120.65 2ddh h LEU 180 Ca 0.00 -0.33 -0.01 0.00 -0.12 0.00 0.00 57.88 57.42 2ddh h LEU 180 Cb 0.00 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 2ddh h LEU 180 CO 0.00 1.26 -0.48 1.23 -0.62 0.00 0.00 178.44 179.83 2ddh h GLY 181 N 1.99 -1.22 0.00 3.75 0.00 -1.23 -3.42 103.07 102.95 2ddh h GLY 181 Ca -0.11 0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.82 2ddh h GLY 181 CO 0.18 -0.34 -0.13 0.28 0.00 0.00 0.00 176.54 176.53 2ddh n LYS 182 N -5.31 3.22 -0.02 4.80 4.76 -1.26 -3.68 118.16 120.67 2ddh n LYS 182 Ca -0.10 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.23 2ddh n LYS 182 Cb 0.42 -0.39 -0.09 0.00 -1.84 0.00 0.00 35.03 33.12 2ddh n LYS 182 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2ddh h THR 183 N 0.00 1.22 -3.39 -0.18 2.02 -1.80 -3.47 112.91 107.30 2ddh h THR 183 Ca 0.00 -1.61 -0.55 0.00 0.77 0.00 0.00 66.41 65.03 2ddh h THR 183 Cb 0.00 2.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 2ddh h THR 183 CO 0.00 0.36 -0.08 -0.94 0.37 0.00 0.00 175.52 175.24 2ddh s SER 184 N -5.82 6.77 0.00 4.18 1.04 -0.49 -4.80 113.70 114.58 2ddh s SER 184 Ca -0.14 1.05 0.19 0.00 0.48 0.00 0.00 55.95 57.53 2ddh s SER 184 Cb -0.01 -2.28 0.08 0.00 0.10 0.00 0.00 66.02 63.91 2ddh s SER 184 CO 0.54 0.02 1.04 -0.46 0.98 0.00 0.00 173.24 175.37 2ddh n ASN 185 N 0.42 2.24 -4.00 7.02 0.23 0.21 -4.65 115.26 116.73 2ddh n ASN 185 Ca -0.03 -1.62 -0.13 0.00 -0.53 0.00 0.00 54.58 52.27 2ddh n ASN 185 Cb 0.52 0.23 -0.12 0.00 -2.08 0.00 0.00 39.78 38.33 2ddh n ASN 185 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 2ddh s HIS 186 N -1.89 0.50 -0.06 -2.53 3.76 -0.65 0.38 115.29 114.79 2ddh s HIS 186 Ca 0.19 -0.34 -0.04 0.00 -0.15 0.00 0.00 55.06 54.73 2ddh s HIS 186 Cb 0.16 -0.31 0.03 0.00 1.11 0.00 0.00 32.58 33.57 2ddh s HIS 186 CO 0.36 -0.07 0.14 0.00 -0.85 0.00 0.00 174.74 174.32 2ddh s ALA 187 N -0.91 -0.29 -0.36 -1.40 0.00 -0.33 -2.17 121.76 116.31 2ddh s ALA 187 Ca -0.06 0.55 -0.22 0.00 0.00 0.00 0.00 51.96 52.23 2ddh s ALA 187 Cb -0.07 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.70 2ddh s ALA 187 CO 0.00 -0.12 0.70 0.42 0.00 0.00 0.00 175.76 176.76 2ddh s ILE 188 N 0.72 4.82 -0.18 0.00 1.01 -0.22 0.19 121.20 127.55 2ddh s ILE 188 Ca -0.05 0.72 -0.08 0.00 0.00 0.00 0.00 60.65 61.24 2ddh s ILE 188 Cb -0.07 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 2ddh s ILE 188 CO -0.03 -0.36 0.08 -0.69 0.00 0.00 0.00 174.94 173.94 2ddh s VAL 189 N 2.87 4.98 -0.24 2.92 1.01 0.69 -0.74 120.40 131.89 2ddh s VAL 189 Ca 0.27 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 62.08 2ddh s VAL 189 Cb -0.14 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 2ddh s VAL 189 CO 0.16 0.48 0.66 -0.22 0.00 0.00 0.00 175.10 176.17 2ddh s LEU 190 N 0.16 4.08 0.07 3.92 2.96 -0.88 -1.53 118.68 127.46 2ddh s LEU 190 Ca 0.06 0.78 -0.02 0.00 -0.22 0.00 0.00 54.13 54.73 2ddh s LEU 190 Cb -0.12 -2.91 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 2ddh s LEU 190 CO 0.00 -0.37 0.02 0.00 -1.32 0.00 0.00 176.35 174.69 2ddh s ALA 191 N 2.40 0.42 -0.40 5.97 0.00 -0.52 -4.82 121.76 124.82 2ddh s ALA 191 Ca 0.28 -1.14 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 2ddh s ALA 191 Cb -0.16 0.39 0.02 0.00 0.00 0.00 0.00 23.12 23.37 2ddh s ALA 191 CO 0.09 -0.41 1.17 -0.65 0.00 0.00 0.00 175.76 175.96 2ddh s GLN 192 N -3.93 3.84 -0.12 0.00 -1.52 0.72 -1.12 119.66 117.52 2ddh s GLN 192 Ca 0.09 0.86 -0.30 0.00 -1.95 0.00 0.00 55.36 54.06 2ddh s GLN 192 Cb 0.07 -3.87 -0.02 0.00 -0.22 0.00 0.00 33.01 28.98 2ddh s GLN 192 CO -0.09 -1.22 1.17 -1.17 -0.25 0.00 0.00 175.29 173.73 2ddh s LEU 193 N 4.31 4.22 -0.13 2.90 2.96 -0.42 -0.90 118.68 131.63 2ddh s LEU 193 Ca 0.50 1.68 0.01 0.00 -0.22 0.00 0.00 54.13 56.10 2ddh s LEU 193 Cb -0.11 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.05 2ddh s LEU 193 CO 0.26 -0.63 -0.16 -0.63 -1.32 0.00 0.00 176.35 173.87 2ddh s ILE 194 N 2.73 1.60 -0.13 6.68 1.01 0.21 -0.63 121.20 132.67 2ddh s ILE 194 Ca 0.53 -0.69 -0.16 0.00 0.00 0.00 0.00 60.65 60.33 2ddh s ILE 194 Cb -0.21 -1.47 0.04 0.00 0.01 0.00 0.00 42.46 40.83 2ddh s ILE 194 CO 0.17 0.46 0.42 0.28 0.00 0.00 0.00 174.94 176.28 2ddh s THR 195 N 1.13 0.01 -1.48 2.92 -1.32 -0.42 -0.80 115.64 115.68 2ddh s THR 195 Ca -0.03 -0.09 -0.12 0.00 -1.21 0.00 0.00 61.69 60.24 2ddh s THR 195 Cb -0.14 -0.63 0.06 0.00 -1.51 0.00 0.00 72.50 70.27 2ddh s THR 195 CO -0.05 -0.05 1.00 0.00 -2.21 0.00 0.00 174.62 173.31 2ddh n GLN 196 N 2.41 -6.12 -1.23 7.08 6.02 -1.26 -1.76 117.38 122.52 2ddh n GLN 196 Ca -0.15 0.68 -0.08 0.00 -0.01 0.00 0.00 57.00 57.44 2ddh n GLN 196 Cb 0.57 -5.61 -0.03 0.00 1.02 0.00 0.00 30.24 26.18 2ddh n GLN 196 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ddh n GLY 197 N -1.75 0.92 3.08 1.08 0.00 -1.26 -5.00 105.19 102.26 2ddh n GLY 197 Ca 0.02 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 2ddh n GLY 197 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ddh s GLU 198 N -2.36 0.66 -0.15 1.61 2.12 -0.72 -5.14 118.70 114.72 2ddh s GLU 198 Ca 0.00 -0.70 -0.09 0.00 0.36 0.00 0.00 54.97 54.54 2ddh s GLU 198 Cb 0.00 -0.57 -0.05 0.00 0.26 0.00 0.00 34.13 33.78 2ddh s GLU 198 CO 0.00 0.13 0.17 0.00 -0.54 0.00 0.00 175.26 175.01 2ddh n TYR 200 N 2.84 0.32 -1.04 0.00 4.02 0.19 -5.01 117.16 118.49 2ddh n TYR 200 Ca -0.17 -0.82 0.00 0.00 -0.01 0.00 0.00 57.90 56.90 2ddh n TYR 200 Cb 0.53 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.69 2ddh n TYR 200 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ddh n GLY 201 N -0.80 -2.56 3.72 2.72 0.00 -1.26 -4.87 105.19 102.14 2ddh n GLY 201 Ca 0.14 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 2ddh n GLY 201 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ddh s LEU 202 N 0.00 4.39 0.06 0.99 2.01 -1.26 -1.30 118.68 123.56 2ddh s LEU 202 Ca 0.00 2.39 -0.03 0.00 0.01 0.00 0.00 54.13 56.50 2ddh s LEU 202 Cb 0.00 -3.60 -0.03 0.00 0.01 0.00 0.00 46.19 42.58 2ddh s LEU 202 CO 0.00 -0.62 0.04 -1.00 1.01 0.00 0.00 176.35 175.78 2ddh s HIS 203 N 0.70 0.38 -0.14 0.29 3.76 -0.28 -4.93 115.29 115.08 2ddh s HIS 203 Ca 0.62 -0.87 -0.07 0.00 -0.15 0.00 0.00 55.06 54.59 2ddh s HIS 203 Cb -0.37 -0.27 -0.04 0.00 1.11 0.00 0.00 32.58 33.00 2ddh s HIS 203 CO 0.34 -0.42 0.11 0.00 -0.85 0.00 0.00 174.74 173.92 2ddh s ALA 204 N -3.72 3.69 -0.04 -1.40 0.00 -1.26 -1.43 121.76 117.60 2ddh s ALA 204 Ca 0.05 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.34 2ddh s ALA 204 Cb 0.06 -1.93 0.01 0.00 0.00 0.00 0.00 23.12 21.26 2ddh s ALA 204 CO -0.10 0.47 -0.09 -0.06 0.00 0.00 0.00 175.76 175.98 2ddh s PHE 205 N -0.55 1.03 -0.36 0.00 0.08 -0.58 -0.82 117.98 116.78 2ddh s PHE 205 Ca 0.12 -0.29 -0.28 0.00 0.12 0.00 0.00 56.93 56.59 2ddh s PHE 205 Cb -0.12 -0.76 0.02 0.00 -0.57 0.00 0.00 43.02 41.59 2ddh s PHE 205 CO 0.02 -0.15 1.04 0.08 -0.10 0.00 0.00 175.22 176.11 2ddh s VAL 206 N 0.43 4.48 -0.28 -0.44 1.01 0.57 -0.22 120.40 125.95 2ddh s VAL 206 Ca -0.07 1.49 -0.01 0.00 0.00 0.00 0.00 61.98 63.39 2ddh s VAL 206 Cb -0.11 -4.43 0.04 0.00 0.00 0.00 0.00 36.38 31.89 2ddh s VAL 206 CO 0.01 -0.59 -0.04 -0.69 0.00 0.00 0.00 175.10 173.79 2ddh s VAL 207 N 3.74 2.81 0.21 2.92 1.01 0.13 -4.86 120.40 126.36 2ddh s VAL 207 Ca 0.44 -1.32 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 2ddh s VAL 207 Cb -0.11 -2.56 -0.09 0.00 0.00 0.00 0.00 36.38 33.61 2ddh s VAL 207 CO 0.19 0.00 1.36 -2.84 0.00 0.00 0.00 175.10 173.81 2ddh s PRO 208 N 1.25 4.34 0.00 2.72 0.02 -1.26 -1.18 135.00 140.89 2ddh s PRO 208 Ca -0.04 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.12 2ddh s PRO 208 Cb -0.19 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.17 2ddh s PRO 208 CO -0.03 -0.32 0.00 0.44 -0.33 0.00 0.00 177.00 176.76 2ddh n ILE 209 N 2.60 0.00 -4.40 2.83 -5.35 0.16 -4.92 119.36 110.28 2ddh n ILE 209 Ca 0.07 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.34 2ddh n ILE 209 Cb 0.42 0.13 -0.13 0.00 -1.74 0.00 0.00 39.64 38.32 2ddh n ILE 209 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2ddh s ARG 210 N -1.70 1.02 0.34 6.28 0.52 -0.92 -1.47 118.95 123.02 2ddh s ARG 210 Ca 0.00 -0.81 -0.28 0.00 -0.52 0.00 0.00 55.73 54.12 2ddh s ARG 210 Cb 0.00 -1.05 -0.10 0.00 0.52 0.00 0.00 34.95 34.32 2ddh s ARG 210 CO 0.00 0.26 1.27 -2.00 0.02 0.00 0.00 175.30 174.85 2ddh s GLU 211 N -1.18 4.33 0.41 3.54 2.12 0.19 -4.83 118.70 123.28 2ddh s GLU 211 Ca 0.03 2.13 -0.25 0.00 0.36 0.00 0.00 54.97 57.24 2ddh s GLU 211 Cb -0.08 -3.03 -0.08 0.00 0.26 0.00 0.00 34.13 31.20 2ddh s GLU 211 CO 0.01 -0.17 1.17 0.42 -0.54 0.00 0.00 175.26 176.15 2ddh s ILE 212 N -1.18 3.14 0.00 -3.70 -1.09 -1.26 0.31 121.20 117.42 2ddh s ILE 212 Ca 0.50 0.94 0.00 0.00 -2.23 0.00 0.00 60.65 59.86 2ddh s ILE 212 Cb -0.38 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 36.98 2ddh s ILE 212 CO 0.50 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.89 2ddh n GLY 213 N 0.60 1.81 0.03 6.18 0.00 -1.26 -4.45 105.19 108.10 2ddh n GLY 213 Ca 0.05 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 45.93 2ddh n GLY 213 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2ddh n THR 214 N 0.00 0.31 -1.24 2.61 -2.24 -1.23 -4.97 114.28 107.52 2ddh n THR 214 Ca 0.00 -0.56 -0.08 0.00 -2.27 0.00 0.00 64.05 61.14 2ddh n THR 214 Cb 0.00 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.10 2ddh n THR 214 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2ddh n HIS 215 N -2.34 0.00 -2.45 4.78 -0.00 0.15 -4.95 115.22 110.40 2ddh n HIS 215 Ca -0.10 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.67 2ddh n HIS 215 Cb 0.68 -2.18 -0.04 0.00 -0.12 0.00 0.00 29.99 28.33 2ddh n HIS 215 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 2ddh s LYS 216 N -2.46 4.60 0.14 1.57 2.20 -1.25 -4.48 119.74 120.05 2ddh s LYS 216 Ca 0.00 1.81 -0.33 0.00 -0.36 0.00 0.00 55.97 57.09 2ddh s LYS 216 Cb 0.00 -3.21 -0.13 0.00 -1.51 0.00 0.00 37.83 32.98 2ddh s LYS 216 CO 0.00 0.12 1.66 -2.30 -0.36 0.00 0.00 175.35 174.47 2ddh n PRO 217 N 1.62 2.31 -1.71 4.03 -0.02 -1.26 0.53 135.00 140.50 2ddh n PRO 217 Ca 0.01 0.84 -0.33 0.00 -2.02 0.00 0.00 63.50 61.99 2ddh n PRO 217 Cb 0.45 -2.64 0.05 0.00 -0.02 0.00 0.00 33.50 31.34 2ddh n PRO 217 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2ddh s LEU 218 N 1.49 3.36 0.04 2.45 1.43 -0.54 -4.81 118.68 122.10 2ddh s LEU 218 Ca 0.80 2.01 -0.35 0.00 -1.03 0.00 0.00 54.13 55.56 2ddh s LEU 218 Cb -0.64 -4.55 -0.14 0.00 0.03 0.00 0.00 46.19 40.89 2ddh s LEU 218 CO 0.39 -1.70 1.61 -2.65 0.23 0.00 0.00 176.35 174.22 2ddh n PRO 219 N -2.50 1.82 -0.35 1.29 -0.02 -1.26 -0.91 135.00 133.07 2ddh n PRO 219 Ca 0.10 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2ddh n PRO 219 Cb 0.52 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2ddh n PRO 219 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ddh n GLY 220 N 3.51 0.71 3.32 -1.23 0.00 -1.26 -4.97 105.19 105.27 2ddh n GLY 220 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2ddh n GLY 220 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ddh s ILE 221 N -2.53 2.92 -0.18 -0.61 -1.09 -0.09 -1.06 121.20 118.56 2ddh s ILE 221 Ca 0.00 -0.69 0.01 0.00 -2.23 0.00 0.00 60.65 57.74 2ddh s ILE 221 Cb 0.00 -2.24 0.03 0.00 -1.58 0.00 0.00 42.46 38.67 2ddh s ILE 221 CO 0.00 0.51 -0.16 -0.89 -1.23 0.00 0.00 174.94 173.17 2ddh s THR 222 N 0.62 1.88 0.04 2.92 2.01 -0.57 -4.64 115.64 117.91 2ddh s THR 222 Ca -0.07 -0.94 -0.04 0.00 0.31 0.00 0.00 61.69 60.94 2ddh s THR 222 Cb -0.16 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.56 2ddh s THR 222 CO 0.03 0.40 0.06 0.54 -0.69 0.00 0.00 174.62 174.96 2ddh s VAL 223 N 1.34 0.14 0.00 3.82 0.11 -1.26 -0.47 120.40 124.08 2ddh s VAL 223 Ca 0.03 -1.15 0.00 0.00 -2.93 0.00 0.00 61.98 57.92 2ddh s VAL 223 Cb -0.14 -0.87 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 2ddh s VAL 223 CO -0.11 -0.63 0.00 0.61 -3.33 0.00 0.00 175.10 171.64 2ddh n GLY 224 N 0.82 -1.03 3.79 6.54 0.00 -1.12 -5.00 105.19 109.19 2ddh n GLY 224 Ca -0.19 -1.10 -0.36 0.00 0.00 0.00 0.00 46.02 44.37 2ddh n GLY 224 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ddh s ASP 225 N 0.00 7.04 0.00 1.61 2.15 -1.26 -1.16 116.67 125.05 2ddh s ASP 225 Ca 0.00 1.86 0.26 0.00 0.43 0.00 0.00 52.55 55.10 2ddh s ASP 225 Cb 0.00 -2.57 1.27 0.00 -0.30 0.00 0.00 42.92 41.32 2ddh s ASP 225 CO 0.00 -0.29 1.85 2.30 -0.17 0.00 0.00 175.17 178.87 2ddh n ILE 226 N 0.02 0.04 0.00 4.11 -5.35 -0.29 -4.77 119.36 113.11 2ddh n ILE 226 Ca 0.04 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 2ddh n ILE 226 Cb 0.51 0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 2ddh n ILE 226 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ddh n GLY 227 N 1.04 1.18 3.76 3.28 0.00 -1.26 -5.01 105.19 108.17 2ddh n GLY 227 Ca 0.19 -2.05 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 2ddh n GLY 227 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ddh s PRO 228 N -1.71 3.18 0.38 1.61 0.04 -1.26 -4.98 135.00 132.27 2ddh s PRO 228 Ca 0.00 1.87 0.04 0.00 0.04 0.00 0.00 61.00 62.95 2ddh s PRO 228 Cb 0.00 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2ddh s PRO 228 CO 0.00 -1.05 0.14 0.15 0.04 0.00 0.00 177.00 176.28 2ddh s LYS 229 N -3.13 1.84 0.34 4.56 1.02 -1.26 -5.02 119.74 118.09 2ddh s LYS 229 Ca 0.73 -2.10 0.09 0.00 0.02 0.00 0.00 55.97 54.72 2ddh s LYS 229 Cb -0.31 -0.50 0.83 0.00 -0.52 0.00 0.00 37.83 37.34 2ddh s LYS 229 CO 0.35 -0.46 1.82 0.35 -0.92 0.00 0.00 175.35 176.49 2ddh h PHE 230 N 1.91 0.89 0.00 3.18 -0.00 -1.96 -3.45 116.94 117.51 2ddh h PHE 230 Ca -0.35 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 57.65 2ddh h PHE 230 Cb 1.26 -0.27 0.00 0.00 -0.00 0.00 0.00 35.95 36.94 2ddh h PHE 230 CO 1.35 0.24 0.00 0.41 -0.00 0.00 0.00 178.31 180.31 2ddh n GLY 231 N -1.40 4.61 3.91 2.40 0.00 -1.26 -4.94 105.19 108.51 2ddh n GLY 231 Ca 0.21 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 2ddh n GLY 231 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ddh n TYR 232 N 0.00 -2.25 -0.24 1.61 4.02 -1.26 -4.89 117.16 114.16 2ddh n TYR 232 Ca 0.00 0.90 -0.03 0.00 -0.01 0.00 0.00 57.90 58.75 2ddh n TYR 232 Cb 0.00 -3.99 0.08 0.00 -0.02 0.00 0.00 39.34 35.41 2ddh n TYR 232 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2ddh h GLU 233 N -2.05 0.79 -0.01 -0.72 3.07 -1.94 -2.53 114.58 111.19 2ddh h GLU 233 Ca -0.58 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.23 2ddh h GLU 233 Cb 1.38 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 2ddh h GLU 233 CO 0.67 0.52 0.00 -0.85 -1.40 0.00 0.00 179.01 177.95 2ddh n GLU 234 N -4.69 1.06 -3.92 2.33 0.00 -1.26 -4.38 120.64 109.77 2ddh n GLU 234 Ca 0.07 -0.09 -0.35 0.00 0.00 0.00 0.00 57.16 56.79 2ddh n GLU 234 Cb 0.10 -1.32 -0.11 0.00 0.00 0.00 0.00 31.44 30.11 2ddh n GLU 234 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 2ddh s MET 235 N -1.99 3.82 -1.36 3.44 1.75 -0.95 -4.20 119.30 119.80 2ddh s MET 235 Ca 0.30 -0.41 -0.07 0.00 -1.25 0.00 0.00 55.69 54.25 2ddh s MET 235 Cb 0.14 -3.26 0.10 0.00 2.84 0.00 0.00 34.83 34.64 2ddh s MET 235 CO 0.23 0.05 2.36 -0.40 -0.65 0.00 0.00 175.02 176.62 2ddh n ASP 236 N 4.19 7.41 -4.67 1.11 5.75 -1.26 -4.95 116.55 124.13 2ddh n ASP 236 Ca -0.16 -3.04 -0.45 0.00 -0.01 0.00 0.00 54.79 51.12 2ddh n ASP 236 Cb 0.52 -1.42 -0.03 0.00 -1.03 0.00 0.00 41.12 39.15 2ddh n ASP 236 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2ddh n ASN 237 N 2.58 2.88 -3.61 -1.12 4.13 -1.26 -0.99 115.26 117.87 2ddh n ASN 237 Ca 0.60 1.12 -0.23 0.00 1.68 0.00 0.00 54.58 57.75 2ddh n ASN 237 Cb 0.27 -1.42 -0.07 0.00 -1.54 0.00 0.00 39.78 37.02 2ddh n ASN 237 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ddh n GLY 238 N 2.71 3.26 3.36 7.41 0.00 -0.59 -1.14 105.19 120.21 2ddh n GLY 238 Ca 0.14 -2.07 -0.24 0.00 0.00 0.00 0.00 46.02 43.85 2ddh n GLY 238 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2ddh s TYR 239 N -3.01 2.02 -0.15 1.61 -0.85 -0.31 -0.81 117.35 115.86 2ddh s TYR 239 Ca 0.21 -0.42 -0.05 0.00 -0.52 0.00 0.00 57.07 56.30 2ddh s TYR 239 Cb 0.01 -1.02 0.07 0.00 0.38 0.00 0.00 41.96 41.40 2ddh s TYR 239 CO 0.15 0.38 0.26 -1.17 -1.52 0.00 0.00 175.55 173.65 2ddh s LEU 240 N -2.54 -0.30 -0.14 -3.49 2.96 -0.88 -2.79 118.68 111.51 2ddh s LEU 240 Ca 0.16 0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.54 2ddh s LEU 240 Cb -0.07 0.68 -0.01 0.00 0.50 0.00 0.00 46.19 47.29 2ddh s LEU 240 CO 0.07 -0.25 -0.14 -0.75 -1.32 0.00 0.00 176.35 173.96 2ddh s LYS 241 N 2.42 3.31 -0.16 1.98 2.20 0.38 -1.90 119.74 127.97 2ddh s LYS 241 Ca 0.03 -0.72 -0.01 0.00 -0.36 0.00 0.00 55.97 54.91 2ddh s LYS 241 Cb -0.13 -2.61 -0.01 0.00 -1.51 0.00 0.00 37.83 33.57 2ddh s LYS 241 CO -0.09 0.15 -0.12 -1.64 -0.36 0.00 0.00 175.35 173.28 2ddh s MET 242 N 0.51 3.30 -0.84 4.03 -1.94 -1.26 -1.50 119.30 121.59 2ddh s MET 242 Ca -0.10 -0.70 -0.14 0.00 -1.71 0.00 0.00 55.69 53.04 2ddh s MET 242 Cb -0.16 -2.70 0.21 0.00 2.01 0.00 0.00 34.83 34.19 2ddh s MET 242 CO 0.04 0.04 0.81 0.34 -0.01 0.00 0.00 175.02 176.24 2ddh s ASP 243 N 0.79 6.76 -1.06 3.03 3.68 -0.22 -0.74 116.67 128.90 2ddh s ASP 243 Ca -0.05 -2.64 -0.26 0.00 2.13 0.00 0.00 52.55 51.74 2ddh s ASP 243 Cb -0.15 -2.23 0.04 0.00 -1.45 0.00 0.00 42.92 39.13 2ddh s ASP 243 CO 0.01 -0.62 0.49 0.59 0.13 0.00 0.00 175.17 175.77 2ddh n ASN 244 N 4.21 -2.86 -4.67 -0.34 3.02 -1.01 -4.82 115.26 108.79 2ddh n ASN 244 Ca 0.15 -1.10 -0.41 0.00 -0.03 0.00 0.00 54.58 53.19 2ddh n ASN 244 Cb 0.47 -1.33 -0.05 0.00 -0.61 0.00 0.00 39.78 38.27 2ddh n ASN 244 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2ddh s TYR 245 N -3.82 3.42 0.06 3.10 6.14 0.99 -4.75 117.35 122.49 2ddh s TYR 245 Ca 0.36 1.15 -0.19 0.00 0.64 0.00 0.00 57.07 59.03 2ddh s TYR 245 Cb -0.20 -2.92 -0.07 0.00 0.42 0.00 0.00 41.96 39.19 2ddh s TYR 245 CO 0.83 -0.18 0.56 1.03 0.64 0.00 0.00 175.55 178.42 2ddh s ARG 246 N 1.93 4.18 0.04 4.97 0.52 -1.26 -0.16 118.95 129.17 2ddh s ARG 246 Ca 0.35 0.71 -0.01 0.00 -0.52 0.00 0.00 55.73 56.26 2ddh s ARG 246 Cb -0.16 -3.24 -0.03 0.00 0.52 0.00 0.00 34.95 32.03 2ddh s ARG 246 CO 0.12 0.63 -0.02 0.96 0.02 0.00 0.00 175.30 177.01 2ddh s ILE 247 N -1.05 0.18 0.78 1.52 -4.36 -0.53 -4.97 121.20 112.77 2ddh s ILE 247 Ca 0.29 -1.50 -0.13 0.00 -0.26 0.00 0.00 60.65 59.04 2ddh s ILE 247 Cb -0.19 -1.11 0.07 0.00 1.25 0.00 0.00 42.46 42.47 2ddh s ILE 247 CO 0.18 -0.83 1.18 -2.84 0.24 0.00 0.00 174.94 172.88 2ddh s PRO 248 N -3.13 1.87 0.31 0.37 0.02 -1.26 -0.24 135.00 132.94 2ddh s PRO 248 Ca -0.00 1.67 -0.01 0.00 0.02 0.00 0.00 61.00 62.68 2ddh s PRO 248 Cb 0.02 -1.81 0.48 0.00 0.02 0.00 0.00 34.50 33.20 2ddh s PRO 248 CO -0.07 -2.02 1.93 -0.09 -0.33 0.00 0.00 177.00 176.43 2ddh h ARG 249 N -0.74 0.94 0.00 5.54 2.43 -1.77 -1.87 114.38 118.92 2ddh h ARG 249 Ca -0.46 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 2ddh h ARG 249 Cb 1.28 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2ddh h ARG 249 CO 0.48 0.69 0.00 0.39 -1.51 0.00 0.00 179.97 180.02 2ddh n GLU 250 N -4.37 0.33 0.00 0.20 4.71 -1.26 -2.04 120.64 118.20 2ddh n GLU 250 Ca 0.07 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.34 2ddh n GLU 250 Cb 0.09 -1.27 0.15 0.00 -1.01 0.00 0.00 31.44 29.40 2ddh n GLU 250 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2ddh n ASN 251 N -0.77 1.40 -4.71 1.62 4.13 -0.70 -4.86 115.26 111.36 2ddh n ASN 251 Ca 0.04 -1.11 -0.42 0.00 1.68 0.00 0.00 54.58 54.78 2ddh n ASN 251 Cb 0.02 0.39 -0.03 0.00 -1.54 0.00 0.00 39.78 38.62 2ddh n ASN 251 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 2ddh s MET 252 N -2.60 4.53 -0.29 3.52 1.75 -0.87 -0.31 119.30 125.04 2ddh s MET 252 Ca 0.19 1.34 -0.29 0.00 -1.25 0.00 0.00 55.69 55.68 2ddh s MET 252 Cb 0.18 -3.46 -0.02 0.00 2.84 0.00 0.00 34.83 34.37 2ddh s MET 252 CO 0.60 -0.05 1.68 -0.51 -0.65 0.00 0.00 175.02 176.08 2ddh s LEU 253 N 1.05 3.68 -0.34 4.11 1.43 -0.00 -4.87 118.68 123.73 2ddh s LEU 253 Ca 0.50 1.39 0.07 0.00 -1.03 0.00 0.00 54.13 55.06 2ddh s LEU 253 Cb -0.20 -3.53 0.50 0.00 0.03 0.00 0.00 46.19 42.99 2ddh s LEU 253 CO 0.26 -1.48 1.51 0.23 0.23 0.00 0.00 176.35 177.10 2ddh n MET 254 N 8.06 2.21 -0.05 1.70 2.81 -1.25 -4.67 117.12 125.93 2ddh n MET 254 Ca 0.20 -3.35 -0.13 0.00 -1.81 0.00 0.00 57.70 52.62 2ddh n MET 254 Cb 0.46 -1.96 -0.07 0.00 -0.71 0.00 0.00 33.22 30.94 2ddh n MET 254 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2ddh h LYS 255 N 1.28 0.30 0.00 0.03 3.64 -1.72 -3.38 116.57 116.71 2ddh h LYS 255 Ca 0.31 -0.15 -0.17 0.00 -1.27 0.00 0.00 60.65 59.37 2ddh h LYS 255 Cb 1.63 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.43 2ddh h LYS 255 CO 0.61 0.68 -0.99 1.88 -2.27 0.00 0.00 179.45 179.36 2ddh h TYR 256 N -0.08 0.00 -3.16 1.91 0.05 -1.84 -3.48 116.97 110.36 2ddh h TYR 256 Ca 0.02 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 58.20 2ddh h TYR 256 Cb 0.62 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 38.18 2ddh h TYR 256 CO 0.08 1.20 -0.80 0.00 -1.05 0.00 0.00 178.16 177.58 2ddh s ALA 257 N -2.40 2.36 0.23 3.88 0.00 -1.26 -4.08 121.76 120.48 2ddh s ALA 257 Ca -0.25 -1.60 0.01 0.00 0.00 0.00 0.00 51.96 50.11 2ddh s ALA 257 Cb 0.04 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 2ddh s ALA 257 CO 0.53 0.35 0.10 -0.65 0.00 0.00 0.00 175.76 176.09 2ddh s GLN 258 N -2.77 1.30 -0.06 0.00 1.11 -0.93 -4.12 119.66 114.19 2ddh s GLN 258 Ca 0.20 -1.69 -0.01 0.00 0.01 0.00 0.00 55.36 53.86 2ddh s GLN 258 Cb -0.07 -0.09 0.03 0.00 -1.01 0.00 0.00 33.01 31.87 2ddh s GLN 258 CO 0.09 -0.31 0.01 0.08 0.01 0.00 0.00 175.29 175.17 2ddh s VAL 259 N -3.88 0.31 0.76 1.09 1.01 -1.26 -0.50 120.40 117.93 2ddh s VAL 259 Ca 0.36 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.38 2ddh s VAL 259 Cb 0.07 -0.47 0.05 0.00 0.00 0.00 0.00 36.38 36.04 2ddh s VAL 259 CO 0.12 0.24 1.08 -0.54 0.00 0.00 0.00 175.10 176.00 2ddh s LYS 260 N 1.86 2.35 0.35 2.72 1.02 0.54 -4.86 119.74 123.71 2ddh s LYS 260 Ca 0.03 0.89 0.10 0.00 0.02 0.00 0.00 55.97 57.00 2ddh s LYS 260 Cb -0.12 -1.93 0.85 0.00 -0.52 0.00 0.00 37.83 36.10 2ddh s LYS 260 CO -0.04 -1.49 1.83 -1.35 -0.92 0.00 0.00 175.35 173.37 2ddh h PRO 261 N -1.01 0.64 0.00 -1.68 0.11 -2.00 0.64 132.00 128.70 2ddh h PRO 261 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2ddh h PRO 261 Cb 1.24 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2ddh h PRO 261 CO 0.56 0.42 0.00 -0.40 -0.21 0.00 0.00 178.00 178.38 2ddh n ASP 262 N -4.62 0.00 0.00 -2.05 5.75 -1.26 -4.80 116.55 109.56 2ddh n ASP 262 Ca 0.20 -0.95 0.00 0.00 -0.01 0.00 0.00 54.79 54.03 2ddh n ASP 262 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 2ddh n ASP 262 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ddh n GLY 263 N 0.66 0.71 3.69 6.12 0.00 0.22 -4.92 105.19 111.68 2ddh n GLY 263 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2ddh n GLY 263 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ddh s THR 264 N -2.62 3.65 0.22 2.61 2.01 -1.25 -4.46 115.64 115.80 2ddh s THR 264 Ca 0.00 1.05 -0.28 0.00 0.31 0.00 0.00 61.69 62.78 2ddh s THR 264 Cb 0.00 -3.68 -0.09 0.00 0.01 0.00 0.00 72.50 68.75 2ddh s THR 264 CO 0.00 0.01 0.88 -0.47 -0.69 0.00 0.00 174.62 174.35 2ddh s TYR 265 N 2.28 3.93 0.04 4.92 5.04 -1.26 -0.34 117.35 131.95 2ddh s TYR 265 Ca 0.64 1.80 0.02 0.00 -2.44 0.00 0.00 57.07 57.09 2ddh s TYR 265 Cb -0.32 -2.90 -0.02 0.00 0.35 0.00 0.00 41.96 39.07 2ddh s TYR 265 CO 0.27 0.45 -0.07 0.54 -1.34 0.00 0.00 175.55 175.41 2ddh s VAL 266 N -1.22 0.45 0.00 3.14 0.11 0.34 -4.96 120.40 118.26 2ddh s VAL 266 Ca 0.40 -1.08 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 2ddh s VAL 266 Cb -0.24 -0.58 0.00 0.00 -1.53 0.00 0.00 36.38 34.03 2ddh s VAL 266 CO 0.29 -0.43 0.00 2.29 -3.33 0.00 0.00 175.10 173.92 2ddh n LYS 267 N 1.42 0.00 -1.78 1.54 -0.00 -1.26 -2.19 118.16 115.88 2ddh n LYS 267 Ca -0.23 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.70 2ddh n LYS 267 Cb 0.55 0.00 0.05 0.00 -0.00 0.00 0.00 35.03 35.63 2ddh n LYS 267 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 2ddh s PRO 268 N 0.00 2.99 0.00 -1.58 0.02 -1.26 -4.88 135.00 130.29 2ddh s PRO 268 Ca 0.00 2.18 0.27 0.00 0.02 0.00 0.00 61.00 63.47 2ddh s PRO 268 Cb 0.00 -2.15 0.84 0.00 0.02 0.00 0.00 34.50 33.21 2ddh s PRO 268 CO 0.00 -1.29 1.62 -0.11 -0.33 0.00 0.00 177.00 176.89 2ddh n LEU 269 N -1.26 0.93 -3.62 -5.54 7.94 -1.26 -5.06 117.00 109.13 2ddh n LEU 269 Ca 0.12 -0.22 0.00 0.00 -1.11 0.00 0.00 56.01 54.80 2ddh n LEU 269 Cb 0.46 -0.13 -0.01 0.00 0.53 0.00 0.00 43.42 44.27 2ddh n LEU 269 CO 0.51 0.17 1.02 -0.32 -1.11 0.00 0.00 177.39 177.67 2ddh s MET 278 N -2.50 0.45 0.34 1.96 1.75 -1.26 -5.15 119.30 114.89 2ddh s MET 278 Ca 0.25 -0.24 0.03 0.00 -1.25 0.00 0.00 55.69 54.49 2ddh s MET 278 Cb 0.19 0.16 0.61 0.00 2.84 0.00 0.00 34.83 38.63 2ddh s MET 278 CO 0.51 -0.20 1.92 -0.39 -0.65 0.00 0.00 175.02 176.21 2ddh h VAL 279 N 2.00 1.18 0.08 10.11 -1.51 -1.96 -2.41 116.25 123.75 2ddh h VAL 279 Ca -0.27 -0.60 -0.00 0.00 -1.23 0.00 0.00 66.70 64.59 2ddh h VAL 279 Cb 1.20 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 2ddh h VAL 279 CO 0.27 0.23 -0.04 0.15 -1.23 0.00 0.00 177.57 176.95 2ddh h PHE 280 N 0.63 -0.10 0.00 5.19 3.04 -2.00 -0.78 116.94 122.92 2ddh h PHE 280 Ca 0.15 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.06 2ddh h PHE 280 Cb 0.18 0.03 -0.00 0.00 2.56 0.00 0.00 35.95 38.72 2ddh h PHE 280 CO 0.01 0.19 -0.16 -0.39 -2.02 0.00 0.00 178.31 175.94 2ddh h VAL 281 N -0.40 0.75 -0.07 1.41 -1.51 -1.98 -2.08 116.25 112.36 2ddh h VAL 281 Ca -0.01 -0.63 -0.18 0.00 -1.23 0.00 0.00 66.70 64.65 2ddh h VAL 281 Cb 0.34 1.38 0.01 0.00 -2.13 0.00 0.00 31.29 30.90 2ddh h VAL 281 CO 0.02 0.15 -0.65 0.03 -1.23 0.00 0.00 177.57 175.89 2ddh h ARG 282 N 0.00 0.57 -0.94 5.19 3.08 -1.24 -1.75 114.38 119.29 2ddh h ARG 282 Ca -0.00 -0.52 0.03 0.00 0.07 0.00 0.00 59.98 59.56 2ddh h ARG 282 Cb 0.37 0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.49 2ddh h ARG 282 CO 0.02 1.14 0.61 0.77 -1.07 0.00 0.00 179.97 181.44 2ddh h SER 283 N 0.18 1.04 -0.58 7.04 0.02 -0.72 -0.33 113.55 120.20 2ddh h SER 283 Ca -0.06 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.79 2ddh h SER 283 Cb 1.31 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 2ddh h SER 283 CO 0.13 0.73 0.05 0.15 -1.14 0.00 0.00 176.83 176.75 2ddh h PHE 284 N 1.22 1.09 -0.10 3.45 3.04 -1.33 -2.12 116.94 122.19 2ddh h PHE 284 Ca 0.36 -0.16 -0.08 0.00 3.98 0.00 0.00 57.97 62.07 2ddh h PHE 284 Cb -0.05 -0.30 -0.01 0.00 2.56 0.00 0.00 35.95 38.15 2ddh h PHE 284 CO -0.01 0.94 -0.32 -0.07 -2.02 0.00 0.00 178.31 176.83 2ddh h LEU 285 N 0.95 0.19 -0.63 0.59 3.38 -0.35 0.22 115.31 119.66 2ddh h LEU 285 Ca 0.18 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2ddh h LEU 285 Cb 0.48 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2ddh h LEU 285 CO 0.02 0.51 -0.22 0.58 0.09 0.00 0.00 178.44 179.42 2ddh h VAL 286 N 0.17 1.27 -0.42 1.22 2.07 -0.74 0.24 116.25 120.07 2ddh h VAL 286 Ca 0.02 -1.35 -0.13 0.00 0.82 0.00 0.00 66.70 66.06 2ddh h VAL 286 Cb 0.66 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2ddh h VAL 286 CO 0.05 0.46 -0.26 1.23 0.02 0.00 0.00 177.57 179.06 2ddh h GLY 287 N 0.94 0.96 1.02 2.17 0.00 -0.73 -1.74 103.07 105.68 2ddh h GLY 287 Ca 0.10 -0.87 -0.02 0.00 0.00 0.00 0.00 47.33 46.54 2ddh h GLY 287 CO 0.06 0.79 0.37 -0.57 0.00 0.00 0.00 176.54 177.19 2ddh h ASN 288 N 0.75 0.96 -0.34 0.19 -0.00 -0.28 0.15 115.58 117.01 2ddh h ASN 288 Ca 0.09 -0.12 -0.02 0.00 -0.00 0.00 0.00 56.30 56.24 2ddh h ASN 288 Cb 0.82 -0.25 -0.01 0.00 -0.00 0.00 0.00 38.32 38.88 2ddh h ASN 288 CO 0.07 0.81 0.12 0.00 -0.00 0.00 0.00 177.43 178.43 2ddh h ALA 289 N 1.19 0.45 -0.38 1.57 0.00 -0.75 -0.23 119.26 121.10 2ddh h ALA 289 Ca 0.26 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ddh h ALA 289 Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2ddh h ALA 289 CO -0.03 0.07 0.22 0.00 0.00 0.00 0.00 179.25 179.50 2ddh h ALA 290 N 0.96 0.49 -0.35 0.00 0.00 -0.89 -1.84 119.26 117.63 2ddh h ALA 290 Ca 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2ddh h ALA 290 Cb 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2ddh h ALA 290 CO -0.01 -0.01 0.04 1.96 0.00 0.00 0.00 179.25 181.23 2ddh h GLN 291 N 0.49 0.59 -0.40 0.00 1.08 -0.53 -0.76 115.11 115.57 2ddh h GLN 291 Ca 0.14 -0.17 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 2ddh h GLN 291 Cb 0.03 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 2ddh h GLN 291 CO -0.02 0.68 0.04 0.77 -0.95 0.00 0.00 178.83 179.35 2ddh h SER 292 N 0.41 0.66 -0.62 1.46 0.02 -1.01 -0.46 113.55 114.01 2ddh h SER 292 Ca 0.10 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 2ddh h SER 292 Cb 0.39 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 2ddh h SER 292 CO 0.01 0.77 0.30 0.25 -1.14 0.00 0.00 176.83 177.02 2ddh h LEU 293 N 0.52 0.83 -0.73 5.07 5.85 -1.30 -1.49 115.31 124.06 2ddh h LEU 293 Ca 0.12 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 2ddh h LEU 293 Cb 0.41 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2ddh h LEU 293 CO 0.01 0.71 -0.35 0.77 -0.34 0.00 0.00 178.44 179.24 2ddh h SER 294 N 0.91 0.60 -0.42 1.25 4.64 -0.71 -0.03 113.55 119.79 2ddh h SER 294 Ca 0.22 -0.25 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 2ddh h SER 294 Cb 0.11 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 2ddh h SER 294 CO -0.03 0.90 0.16 0.11 -0.87 0.00 0.00 176.83 177.10 2ddh h LYS 295 N 0.49 0.63 -0.60 4.77 1.57 -0.57 0.10 116.57 122.96 2ddh h LYS 295 Ca 0.05 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2ddh h LYS 295 Cb 0.83 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 2ddh h LYS 295 CO 0.07 0.60 0.30 0.00 -0.57 0.00 0.00 179.45 179.84 2ddh h ALA 296 N 1.00 0.77 -0.49 3.86 0.00 -1.02 -1.92 119.26 121.46 2ddh h ALA 296 Ca 0.14 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2ddh h ALA 296 Cb 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2ddh h ALA 296 CO -0.01 0.32 -0.09 0.00 0.00 0.00 0.00 179.25 179.47 2ddh h THR 298 N 0.81 1.05 0.03 0.00 2.02 -0.39 -1.01 112.91 115.42 2ddh h THR 298 Ca 0.13 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 2ddh h THR 298 Cb 0.61 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2ddh h THR 298 CO 0.04 0.07 -0.02 0.40 0.37 0.00 0.00 175.52 176.38 2ddh h ILE 299 N 0.37 1.12 -0.34 3.11 2.04 -1.20 -2.18 117.51 120.43 2ddh h ILE 299 Ca 0.11 -0.47 -0.07 0.00 1.00 0.00 0.00 64.86 65.43 2ddh h ILE 299 Cb -0.02 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 2ddh h ILE 299 CO -0.04 0.12 -0.09 0.00 0.00 0.00 0.00 178.15 178.13 2ddh h ALA 300 N 0.71 1.21 0.01 1.87 0.00 -1.26 -1.15 119.26 120.66 2ddh h ALA 300 Ca -0.00 -0.27 -0.23 0.00 0.00 0.00 0.00 54.91 54.41 2ddh h ALA 300 Cb 0.23 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.89 2ddh h ALA 300 CO 0.01 0.51 -0.89 0.82 0.00 0.00 0.00 179.25 179.70 2ddh h ILE 301 N 0.53 1.34 -0.20 0.00 2.04 -1.20 -0.32 117.51 119.70 2ddh h ILE 301 Ca 0.10 -2.21 -0.01 0.00 1.00 0.00 0.00 64.86 63.74 2ddh h ILE 301 Cb 0.48 2.51 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 2ddh h ILE 301 CO 0.03 0.67 0.07 0.03 0.00 0.00 0.00 178.15 178.94 2ddh h ARG 302 N 0.18 0.30 -0.98 2.37 3.08 -1.35 -2.11 114.38 115.86 2ddh h ARG 302 Ca -0.12 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 59.90 2ddh h ARG 302 Cb 1.58 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.53 2ddh h ARG 302 CO 0.18 0.38 0.65 -0.92 -1.07 0.00 0.00 179.97 179.18 2ddh h TYR 303 N 0.15 1.22 0.00 3.04 3.20 -1.24 -0.84 116.97 122.50 2ddh h TYR 303 Ca 0.06 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 2ddh h TYR 303 Cb 0.20 -0.41 -0.00 0.00 1.54 0.00 0.00 36.73 38.06 2ddh h TYR 303 CO -0.01 0.74 -0.09 0.77 -1.64 0.00 0.00 178.16 177.94 2ddh h SER 304 N 1.29 0.00 1.63 -2.11 0.02 -0.75 0.49 113.55 114.12 2ddh h SER 304 Ca 0.37 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.27 2ddh h SER 304 Cb -0.09 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2ddh h SER 304 CO -0.10 0.09 -0.38 0.00 -1.14 0.00 0.00 176.83 175.31 2ddh h ALA 305 N 1.91 0.80 0.08 3.77 0.00 -0.50 -2.08 119.26 123.25 2ddh h ALA 305 Ca -0.00 -0.24 -0.36 0.00 0.00 0.00 0.00 54.91 54.31 2ddh h ALA 305 Cb 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2ddh h ALA 305 CO 0.01 0.31 -2.08 0.28 0.00 0.00 0.00 179.25 177.77 2ddh n VAL 306 N -3.10 1.68 -2.30 0.00 0.31 -0.58 -4.63 118.33 109.71 2ddh n VAL 306 Ca 0.02 -0.67 -0.43 0.00 -0.01 0.00 0.00 64.34 63.26 2ddh n VAL 306 Cb 0.63 -1.52 -0.02 0.00 -0.91 0.00 0.00 33.84 32.02 2ddh n VAL 306 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2ddh s ARG 307 N -2.55 4.22 -0.10 5.55 6.06 0.16 -4.96 118.95 127.32 2ddh s ARG 307 Ca -0.22 1.82 -0.00 0.00 -2.50 0.00 0.00 55.73 54.83 2ddh s ARG 307 Cb 0.07 -3.82 -0.02 0.00 0.06 0.00 0.00 34.95 31.24 2ddh s ARG 307 CO 0.74 -0.74 -0.09 1.03 -2.50 0.00 0.00 175.30 173.74 2ddh s ARG 308 N 3.60 3.13 -0.08 5.12 0.52 -1.26 0.40 118.95 130.38 2ddh s ARG 308 Ca 0.60 -0.60 -0.30 0.00 -0.52 0.00 0.00 55.73 54.91 2ddh s ARG 308 Cb -0.25 -2.65 0.09 0.00 0.52 0.00 0.00 34.95 32.66 2ddh s ARG 308 CO 0.19 0.42 0.81 -1.14 0.02 0.00 0.00 175.30 175.61 2ddh s GLN 309 N -0.17 0.87 3.58 3.54 2.00 -0.71 -4.91 119.66 123.87 2ddh s GLN 309 Ca 0.01 0.13 0.00 0.00 -2.00 0.00 0.00 55.36 53.50 2ddh s GLN 309 Cb -0.13 0.41 0.00 0.00 0.80 0.00 0.00 33.01 34.09 2ddh s GLN 309 CO 0.03 -0.29 0.00 0.43 -0.50 0.00 0.00 175.29 174.96 2ddh n SER 310 N 0.68 -0.01 -3.69 6.67 7.64 -1.26 -4.23 113.62 119.42 2ddh n SER 310 Ca -0.15 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.64 2ddh n SER 310 Cb 0.58 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.76 2ddh n SER 310 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2ddh s GLU 311 N 0.00 1.50 0.00 1.43 -1.05 -1.26 -4.08 118.70 115.24 2ddh s GLU 311 Ca 0.00 -0.79 0.00 0.00 -0.15 0.00 0.00 54.97 54.03 2ddh s GLU 311 Cb 0.00 0.57 0.00 0.00 -0.44 0.00 0.00 34.13 34.26 2ddh s GLU 311 CO 0.00 -0.66 0.00 -0.89 0.95 0.00 0.00 175.26 174.66 2ddh n ILE 312 N -0.40 0.00 -3.01 1.83 5.41 -1.26 -4.95 119.36 116.98 2ddh n ILE 312 Ca -0.10 0.03 -0.41 0.00 1.00 0.00 0.00 62.75 63.27 2ddh n ILE 312 Cb 0.62 -0.76 -0.05 0.00 -0.71 0.00 0.00 39.64 38.74 2ddh n ILE 312 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2ddh s LYS 313 N -0.31 4.20 0.47 0.38 1.02 -1.26 -4.92 119.74 119.32 2ddh s LYS 313 Ca 0.00 0.77 0.21 0.00 0.02 0.00 0.00 55.97 56.97 2ddh s LYS 313 Cb 0.00 -3.61 1.21 0.00 -0.52 0.00 0.00 37.83 34.92 2ddh s LYS 313 CO 0.00 -0.36 1.92 0.37 -0.92 0.00 0.00 175.35 176.36 2ddh h GLN 314 N 7.58 0.24 -0.00 1.68 4.15 -1.98 0.28 115.11 127.06 2ddh h GLN 314 Ca -0.28 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.13 2ddh h GLN 314 Cb 1.12 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.76 2ddh h GLN 314 CO 0.81 0.16 0.00 -1.13 -1.93 0.00 0.00 178.83 176.74 2ddh n SER 315 N -4.43 0.03 -4.70 -0.69 3.41 -1.26 -4.82 113.62 101.16 2ddh n SER 315 Ca 0.15 -1.06 -0.24 0.00 -0.26 0.00 0.00 58.87 57.46 2ddh n SER 315 Cb 0.66 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.54 2ddh n SER 315 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2ddh s GLU 316 N -2.00 2.51 0.78 4.33 2.56 0.98 -5.11 118.70 122.75 2ddh s GLU 316 Ca 0.45 -1.20 -0.11 0.00 0.00 0.00 0.00 54.97 54.12 2ddh s GLU 316 Cb 0.21 -2.35 0.06 0.00 2.00 0.00 0.00 34.13 34.05 2ddh s GLU 316 CO 0.35 0.41 1.08 -1.25 -0.56 0.00 0.00 175.26 175.30 2ddh s PRO 317 N -3.43 2.21 0.10 4.30 0.04 -1.26 -4.85 135.00 132.10 2ddh s PRO 317 Ca 0.30 0.91 -0.34 0.00 0.04 0.00 0.00 61.00 61.90 2ddh s PRO 317 Cb -0.08 -1.91 -0.14 0.00 0.04 0.00 0.00 34.50 32.41 2ddh s PRO 317 CO 0.21 -1.60 1.59 0.39 0.04 0.00 0.00 177.00 177.63 2ddh n GLU 318 N -3.46 1.98 -2.20 4.56 1.02 -1.26 -4.84 120.64 116.44 2ddh n GLU 318 Ca 0.08 0.72 -0.26 0.00 -0.02 0.00 0.00 57.16 57.67 2ddh n GLU 318 Cb 0.54 -2.48 0.07 0.00 -0.02 0.00 0.00 31.44 29.56 2ddh n GLU 318 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2ddh s PRO 319 N 1.38 2.22 0.31 3.49 0.04 -1.26 -4.60 135.00 136.58 2ddh s PRO 319 Ca 0.82 -0.24 -0.29 0.00 0.04 0.00 0.00 61.00 61.34 2ddh s PRO 319 Cb -0.73 -2.17 -0.10 0.00 0.04 0.00 0.00 34.50 31.54 2ddh s PRO 319 CO 0.42 -1.23 1.31 -0.65 0.04 0.00 0.00 177.00 176.89 2ddh s GLN 320 N -5.25 4.37 0.53 4.56 -0.21 -1.26 -1.74 119.66 120.66 2ddh s GLN 320 Ca 0.60 2.19 0.36 0.00 0.02 0.00 0.00 55.36 58.53 2ddh s GLN 320 Cb -0.11 -3.09 1.86 0.00 1.00 0.00 0.00 33.01 32.67 2ddh s GLN 320 CO 0.45 -0.19 2.09 -0.84 -2.12 0.00 0.00 175.29 174.67 2ddh h ILE 321 N 3.14 0.00 0.00 1.08 3.07 0.12 0.88 117.51 125.80 2ddh h ILE 321 Ca -0.48 -0.09 0.00 0.00 1.55 0.00 0.00 64.86 65.84 2ddh h ILE 321 Cb 1.22 0.94 0.00 0.00 -0.27 0.00 0.00 36.82 38.71 2ddh h ILE 321 CO 0.68 0.00 0.00 0.25 -1.05 0.00 0.00 178.15 178.03 2ddh h LEU 322 N 0.00 0.00 -0.86 0.16 5.85 -1.62 -1.07 115.31 117.77 2ddh h LEU 322 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2ddh h LEU 322 Cb 0.10 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2ddh h LEU 322 CO 0.00 0.00 -0.17 0.44 -0.34 0.00 0.00 178.44 178.37 2ddh h ASP 323 N 0.00 0.00 -3.15 1.25 3.32 -1.12 -3.42 116.42 113.31 2ddh h ASP 323 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 2ddh h ASP 323 Cb 0.12 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 2ddh h ASP 323 CO 0.00 0.17 0.61 -0.36 -1.72 0.00 0.00 179.24 177.95 2ddh s PHE 324 N -3.49 3.33 0.34 4.55 0.08 -0.41 -4.93 117.98 117.46 2ddh s PHE 324 Ca 0.02 1.25 0.04 0.00 0.12 0.00 0.00 56.93 58.37 2ddh s PHE 324 Cb 0.09 -3.43 0.67 0.00 -0.57 0.00 0.00 43.02 39.77 2ddh s PHE 324 CO 0.64 -1.34 1.94 0.37 -0.10 0.00 0.00 175.22 176.72 2ddh h GLN 325 N 7.05 0.83 -0.27 0.44 4.15 -1.88 -0.91 115.11 124.53 2ddh h GLN 325 Ca -0.39 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 58.88 2ddh h GLN 325 Cb 1.20 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 2ddh h GLN 325 CO 0.83 0.55 -0.25 1.79 -1.93 0.00 0.00 178.83 179.82 2ddh h THR 326 N 0.85 1.27 -0.41 2.39 1.35 -1.94 0.97 112.91 117.39 2ddh h THR 326 Ca 0.35 -1.27 -0.14 0.00 -0.55 0.00 0.00 66.41 64.79 2ddh h THR 326 Cb 0.26 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 2ddh h THR 326 CO -0.12 0.41 -0.30 -0.61 -0.25 0.00 0.00 175.52 174.64 2ddh h GLN 327 N 0.45 0.93 -0.41 4.72 5.75 -1.49 -1.30 115.11 123.75 2ddh h GLN 327 Ca 0.07 -0.45 -0.11 0.00 -0.15 0.00 0.00 58.65 58.01 2ddh h GLN 327 Cb 0.67 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 2ddh h GLN 327 CO 0.05 1.11 -0.19 1.96 -2.65 0.00 0.00 178.83 179.11 2ddh h GLN 328 N 0.75 0.80 -0.03 1.69 4.20 -0.92 -2.32 115.11 119.28 2ddh h GLN 328 Ca 0.08 -0.31 -0.08 0.00 0.06 0.00 0.00 58.65 58.40 2ddh h GLN 328 Cb 0.89 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 2ddh h GLN 328 CO 0.08 0.93 -0.36 -0.92 -0.67 0.00 0.00 178.83 177.88 2ddh h TYR 329 N 0.70 0.07 -0.20 2.96 3.20 -0.61 -0.65 116.97 122.44 2ddh h TYR 329 Ca 0.10 -0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.75 2ddh h TYR 329 Cb 0.70 -0.02 0.01 0.00 1.54 0.00 0.00 36.73 38.96 2ddh h TYR 329 CO 0.04 0.42 -0.67 0.87 -1.64 0.00 0.00 178.16 177.17 2ddh h LYS 330 N 0.05 0.82 0.01 1.82 1.57 -0.91 -3.39 116.57 116.55 2ddh h LYS 330 Ca 0.00 -0.61 -0.40 0.00 -1.87 0.00 0.00 60.65 57.78 2ddh h LYS 330 Cb 0.67 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 33.03 2ddh h LYS 330 CO 0.05 1.22 -2.30 1.28 -0.57 0.00 0.00 179.45 179.13 2ddh n LEU 331 N -3.99 2.36 -0.29 2.94 4.77 -0.90 -4.40 117.00 117.48 2ddh n LEU 331 Ca -0.06 0.18 0.02 0.00 -0.03 0.00 0.00 56.01 56.12 2ddh n LEU 331 Cb 0.69 -0.90 0.16 0.00 -2.33 0.00 0.00 43.42 41.04 2ddh n LEU 331 CO 0.52 0.69 1.15 -0.26 -1.33 0.00 0.00 177.39 178.15 2ddh h PHE 332 N -0.56 0.88 -0.32 -1.77 0.05 -1.35 0.96 116.94 114.83 2ddh h PHE 332 Ca -0.59 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.21 2ddh h PHE 332 Cb 1.72 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 39.38 2ddh h PHE 332 CO -0.01 0.38 0.12 -1.35 -0.18 0.00 0.00 178.31 177.27 2ddh h PRO 333 N 0.82 0.45 -0.00 1.51 0.11 -1.76 0.30 132.00 133.44 2ddh h PRO 333 Ca 0.39 -0.06 -0.18 0.00 0.11 0.00 0.00 66.00 66.27 2ddh h PRO 333 Cb 0.32 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 2ddh h PRO 333 CO -0.23 0.39 -0.82 -0.07 -0.21 0.00 0.00 178.00 177.06 2ddh h LEU 334 N 0.45 0.11 -0.46 2.35 3.38 -1.36 -1.31 115.31 118.47 2ddh h LEU 334 Ca 0.11 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2ddh h LEU 334 Cb 0.11 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2ddh h LEU 334 CO -0.01 0.88 0.04 0.25 0.09 0.00 0.00 178.44 179.69 2ddh h LEU 335 N 0.05 0.77 -0.69 1.67 6.46 0.15 -0.15 115.31 123.56 2ddh h LEU 335 Ca -0.02 -0.28 -0.07 0.00 -0.12 0.00 0.00 57.88 57.38 2ddh h LEU 335 Cb 1.43 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 41.13 2ddh h LEU 335 CO 0.11 0.86 0.15 0.00 -0.62 0.00 0.00 178.44 178.95 2ddh h ALA 336 N 0.94 0.91 -0.75 1.25 0.00 -0.89 -2.40 119.26 118.32 2ddh h ALA 336 Ca 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2ddh h ALA 336 Cb 0.44 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2ddh h ALA 336 CO 0.02 0.65 0.44 1.15 0.00 0.00 0.00 179.25 181.51 2ddh h THR 337 N 1.05 1.22 -0.17 0.00 2.02 -0.86 -0.64 112.91 115.53 2ddh h THR 337 Ca 0.22 -0.50 0.02 0.00 0.77 0.00 0.00 66.41 66.92 2ddh h THR 337 Cb 0.39 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 2ddh h THR 337 CO 0.01 0.23 0.02 0.00 0.37 0.00 0.00 175.52 176.15 2ddh h ALA 338 N 1.23 0.16 -0.73 6.16 0.00 -0.63 -0.98 119.26 124.47 2ddh h ALA 338 Ca 0.27 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 2ddh h ALA 338 Cb -0.01 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2ddh h ALA 338 CO -0.05 -0.42 0.29 1.88 0.00 0.00 0.00 179.25 180.95 2ddh h TYR 339 N 0.08 1.10 -0.92 0.00 -1.99 -1.07 -1.82 116.97 112.36 2ddh h TYR 339 Ca 0.08 -0.08 0.07 0.00 2.00 0.00 0.00 58.73 60.79 2ddh h TYR 339 Cb 0.08 -0.33 -0.06 0.00 2.00 0.00 0.00 36.73 38.41 2ddh h TYR 339 CO -0.14 0.84 0.58 0.00 -0.00 0.00 0.00 178.16 179.44 2ddh h ALA 340 N 1.14 1.27 -0.06 3.88 0.00 -0.72 -1.97 119.26 122.80 2ddh h ALA 340 Ca 0.24 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 2ddh h ALA 340 Cb 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2ddh h ALA 340 CO -0.02 0.33 -0.67 0.74 0.00 0.00 0.00 179.25 179.64 2ddh h PHE 341 N 1.04 0.35 -0.44 0.00 0.05 -0.85 -1.32 116.94 115.78 2ddh h PHE 341 Ca 0.40 -0.15 -0.00 0.00 3.82 0.00 0.00 57.97 62.04 2ddh h PHE 341 Cb 0.18 -0.06 -0.02 0.00 2.00 0.00 0.00 35.95 38.06 2ddh h PHE 341 CO -0.02 0.85 0.27 0.45 -0.18 0.00 0.00 178.31 179.68 2ddh h HIS 342 N 0.19 0.57 -0.03 -0.55 3.86 -0.61 0.16 115.15 118.75 2ddh h HIS 342 Ca -0.02 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.06 2ddh h HIS 342 Cb 1.20 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 29.47 2ddh h HIS 342 CO 0.03 0.39 -0.61 0.74 0.86 0.00 0.00 177.93 179.34 2ddh h PHE 343 N 0.59 0.13 -0.58 2.45 0.05 -1.36 -2.16 116.94 116.05 2ddh h PHE 343 Ca 0.16 -0.05 -0.09 0.00 3.82 0.00 0.00 57.97 61.81 2ddh h PHE 343 Cb -0.03 -0.02 -0.02 0.00 2.00 0.00 0.00 35.95 37.88 2ddh h PHE 343 CO -0.04 0.68 0.00 0.28 -0.18 0.00 0.00 178.31 179.06 2ddh h VAL 344 N 0.08 1.26 -0.39 -0.55 2.07 -0.69 0.27 116.25 118.30 2ddh h VAL 344 Ca -0.01 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 2ddh h VAL 344 Cb 1.09 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2ddh h VAL 344 CO 0.09 0.41 0.15 1.23 0.02 0.00 0.00 177.57 179.46 2ddh h GLY 345 N 0.92 0.62 1.01 2.17 0.00 -0.51 -1.79 103.07 105.49 2ddh h GLY 345 Ca 0.17 -0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 2ddh h GLY 345 CO 0.03 0.32 0.39 3.21 0.00 0.00 0.00 176.54 180.49 2ddh h ARG 346 N 0.48 1.06 -0.80 4.80 2.47 -1.13 -1.45 114.38 119.81 2ddh h ARG 346 Ca 0.13 -0.14 0.05 0.00 -1.26 0.00 0.00 59.98 58.76 2ddh h ARG 346 Cb 0.20 -0.20 -0.05 0.00 -1.65 0.00 0.00 29.97 28.26 2ddh h ARG 346 CO -0.01 0.81 0.49 -0.92 0.56 0.00 0.00 179.97 180.90 2ddh h TYR 347 N 1.04 0.92 0.15 3.04 3.20 -0.69 0.71 116.97 125.34 2ddh h TYR 347 Ca 0.26 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 2ddh h TYR 347 Cb 0.07 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.05 2ddh h TYR 347 CO 0.00 0.49 -0.07 0.52 -1.64 0.00 0.00 178.16 177.47 2ddh h MET 348 N 0.93 -0.19 -0.44 1.82 2.86 -0.64 0.19 114.93 119.47 2ddh h MET 348 Ca 0.33 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 58.03 2ddh h MET 348 Cb 0.10 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.76 2ddh h MET 348 CO -0.14 -0.05 0.21 -0.22 1.06 0.00 0.00 176.91 177.76 2ddh h LYS 349 N -0.29 0.40 0.27 1.72 3.64 -0.91 0.25 116.57 121.65 2ddh h LYS 349 Ca -0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2ddh h LYS 349 Cb 0.23 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2ddh h LYS 349 CO 0.03 0.27 -0.27 0.93 -2.27 0.00 0.00 179.45 178.14 2ddh h GLU 350 N 0.42 -0.55 -0.61 1.90 5.08 -0.62 -0.83 114.58 119.37 2ddh h GLU 350 Ca 0.19 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.64 2ddh h GLU 350 Cb 0.12 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 2ddh h GLU 350 CO -0.15 -0.37 0.33 1.15 -1.00 0.00 0.00 179.01 178.98 2ddh h THR 351 N -0.58 0.98 -0.24 1.13 2.02 -0.33 -2.36 112.91 113.54 2ddh h THR 351 Ca -0.01 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 66.89 2ddh h THR 351 Cb 0.53 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2ddh h THR 351 CO -0.06 0.12 -0.13 1.88 0.37 0.00 0.00 175.52 177.70 2ddh h TYR 352 N 0.63 0.42 0.00 3.16 -1.99 -0.76 -2.08 116.97 116.36 2ddh h TYR 352 Ca 0.27 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.94 2ddh h TYR 352 Cb 0.14 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 38.75 2ddh h TYR 352 CO -0.08 0.52 0.00 1.47 -0.00 0.00 0.00 178.16 180.07 2ddh n LEU 353 N -4.22 0.56 0.00 3.88 -0.00 -0.33 -5.09 117.00 111.79 2ddh n LEU 353 Ca 0.00 0.60 0.00 0.00 -0.00 0.00 0.00 56.01 56.62 2ddh n LEU 353 Cb 0.31 -0.49 0.00 0.00 -0.00 0.00 0.00 43.42 43.24 2ddh n LEU 353 CO 0.39 -0.37 0.00 -2.11 -0.00 0.00 0.00 177.39 175.31 2ddh n ARG 354 N -2.08 0.00 0.00 1.47 0.00 -0.79 -5.10 116.66 110.16 2ddh n ARG 354 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 2ddh n ARG 354 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.75 2ddh n ARG 354 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2ddh n SER 365 N 0.00 0.00 -1.23 2.89 7.64 -1.26 -5.11 113.62 116.55 2ddh n SER 365 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 2ddh n SER 365 Cb 0.00 0.00 0.28 0.00 -1.01 0.00 0.00 64.21 63.48 2ddh n SER 365 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ddh n GLU 366 N 0.00 2.56 -0.06 1.43 1.02 -1.26 -4.46 120.64 119.88 2ddh n GLU 366 Ca 0.00 -2.40 -0.14 0.00 -0.02 0.00 0.00 57.16 54.60 2ddh n GLU 366 Cb 0.00 -1.53 -0.07 0.00 -0.02 0.00 0.00 31.44 29.82 2ddh n GLU 366 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2ddh h LEU 367 N 4.23 0.54 -0.61 -4.62 -0.00 -2.03 -1.45 115.31 111.37 2ddh h LEU 367 Ca 0.00 -0.52 0.07 0.00 -0.00 0.00 0.00 57.88 57.43 2ddh h LEU 367 Cb 0.95 -0.15 -0.06 0.00 -0.00 0.00 0.00 40.66 41.40 2ddh h LEU 367 CO 0.00 0.96 0.28 -0.65 -0.00 0.00 0.00 178.44 179.03 2ddh h PRO 368 N 0.14 0.50 -0.71 1.13 0.11 -2.00 0.10 132.00 131.27 2ddh h PRO 368 Ca 0.02 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.14 2ddh h PRO 368 Cb 0.84 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 31.79 2ddh h PRO 368 CO 0.06 0.33 0.44 1.49 -0.21 0.00 0.00 178.00 180.11 2ddh h GLU 369 N 0.51 0.81 -0.08 1.05 4.57 -1.83 -0.76 114.58 118.86 2ddh h GLU 369 Ca 0.29 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 2ddh h GLU 369 Cb 0.28 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2ddh h GLU 369 CO -0.24 0.54 0.02 1.25 -1.18 0.00 0.00 179.01 179.40 2ddh h LEU 370 N 0.84 0.12 -0.46 1.64 5.85 0.01 -1.24 115.31 122.06 2ddh h LEU 370 Ca 0.29 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2ddh h LEU 370 Cb 0.07 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2ddh h LEU 370 CO -0.13 0.33 0.29 0.45 -0.34 0.00 0.00 178.44 179.04 2ddh h HIS 371 N -0.09 0.60 0.34 1.25 3.86 -0.67 -0.70 115.15 119.74 2ddh h HIS 371 Ca 0.02 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 2ddh h HIS 371 Cb 0.25 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.53 2ddh h HIS 371 CO 0.01 0.40 -0.16 0.00 0.86 0.00 0.00 177.93 179.04 2ddh h ALA 372 N 1.15 -0.45 -0.68 2.45 0.00 -1.07 -1.53 119.26 119.12 2ddh h ALA 372 Ca 0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2ddh h ALA 372 Cb -0.03 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2ddh h ALA 372 CO -0.03 -0.75 0.27 1.25 0.00 0.00 0.00 179.25 179.99 2ddh h LEU 373 N -0.47 0.95 -1.10 0.00 5.85 -1.17 -2.12 115.31 117.25 2ddh h LEU 373 Ca -0.05 -0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 2ddh h LEU 373 Cb 0.36 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2ddh h LEU 373 CO 0.08 0.86 -0.14 0.00 -0.34 0.00 0.00 178.44 178.90 2ddh h THR 374 N 0.97 1.23 -0.26 1.05 1.03 -1.06 0.11 112.91 115.98 2ddh h THR 374 Ca 0.23 -1.03 -0.04 0.00 -0.01 0.00 0.00 66.41 65.56 2ddh h THR 374 Cb 0.21 1.18 -0.01 0.00 -1.07 0.00 0.00 68.15 68.46 2ddh h THR 374 CO -0.02 0.33 -0.01 0.00 -0.01 0.00 0.00 175.52 175.82 2ddh h ALA 375 N 1.42 0.35 -0.32 0.00 0.00 -1.02 -2.35 119.26 117.35 2ddh h ALA 375 Ca 0.08 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2ddh h ALA 375 Cb 0.50 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2ddh h ALA 375 CO 0.03 0.10 0.02 0.78 0.00 0.00 0.00 179.25 180.18 2ddh h GLY 376 N 0.24 0.58 1.44 0.00 0.00 -0.92 -2.91 103.07 101.50 2ddh h GLY 376 Ca 0.07 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 2ddh h GLY 376 CO 0.02 0.38 -0.03 1.41 0.00 0.00 0.00 176.54 178.32 2ddh h LEU 377 N 0.35 0.66 -0.50 3.11 3.38 -0.83 0.69 115.31 122.18 2ddh h LEU 377 Ca 0.09 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.93 2ddh h LEU 377 Cb 0.40 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2ddh h LEU 377 CO 0.01 0.75 0.30 0.50 0.09 0.00 0.00 178.44 180.09 2ddh h LYS 378 N 0.64 0.58 -0.16 1.13 3.11 -1.36 0.24 116.57 120.76 2ddh h LYS 378 Ca 0.13 -0.03 -0.10 0.00 -2.81 0.00 0.00 60.65 57.83 2ddh h LYS 378 Cb 0.44 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.54 2ddh h LYS 378 CO 0.02 0.38 -0.30 0.00 -2.81 0.00 0.00 179.45 176.75 2ddh h ALA 379 N 1.22 0.25 0.15 5.00 0.00 -1.28 -2.44 119.26 122.15 2ddh h ALA 379 Ca 0.20 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2ddh h ALA 379 Cb 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2ddh h ALA 379 CO -0.09 0.26 -0.12 0.35 0.00 0.00 0.00 179.25 179.66 2ddh h PHE 380 N 0.10 -0.30 -0.24 0.00 3.57 -0.66 -1.96 116.94 117.44 2ddh h PHE 380 Ca 0.01 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 2ddh h PHE 380 Cb 0.89 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.74 2ddh h PHE 380 CO 0.10 -0.18 -0.15 1.79 -2.23 0.00 0.00 178.31 177.64 2ddh h THR 381 N -0.28 1.31 -0.51 4.41 1.35 -1.04 -2.61 112.91 115.54 2ddh h THR 381 Ca -0.00 -1.25 -0.04 0.00 -0.55 0.00 0.00 66.41 64.57 2ddh h THR 381 Cb 0.25 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.25 2ddh h THR 381 CO -0.01 0.39 0.16 0.71 -0.25 0.00 0.00 175.52 176.51 2ddh h THR 382 N 0.23 1.21 -0.21 6.82 1.35 -1.44 0.59 112.91 121.46 2ddh h THR 382 Ca 0.05 -0.70 -0.05 0.00 -0.55 0.00 0.00 66.41 65.17 2ddh h THR 382 Cb 0.66 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 2ddh h THR 382 CO 0.04 0.26 -0.05 -0.50 -0.25 0.00 0.00 175.52 175.03 2ddh h TRP 383 N 0.74 0.45 -0.49 4.73 6.55 -1.36 -0.73 115.95 125.85 2ddh h TRP 383 Ca 0.17 -0.10 -0.09 0.00 0.95 0.00 0.00 58.89 59.82 2ddh h TRP 383 Cb 0.22 -0.11 -0.02 0.00 -0.86 0.00 0.00 29.16 28.39 2ddh h TRP 383 CO 0.01 0.64 -0.05 1.79 -1.05 0.00 0.00 178.44 179.78 2ddh h THR 384 N 0.13 1.27 -0.54 1.49 1.35 -1.18 -2.39 112.91 113.03 2ddh h THR 384 Ca 0.05 -1.16 -0.07 0.00 -0.55 0.00 0.00 66.41 64.68 2ddh h THR 384 Cb 0.50 1.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.92 2ddh h THR 384 CO 0.02 0.40 0.04 0.00 -0.25 0.00 0.00 175.52 175.73 2ddh h ALA 385 N 0.91 1.04 0.56 6.62 0.00 -0.89 -0.59 119.26 126.92 2ddh h ALA 385 Ca 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2ddh h ALA 385 Cb 0.58 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2ddh h ALA 385 CO 0.04 0.60 -0.49 -0.97 0.00 0.00 0.00 179.25 178.43 2ddh h ASN 386 N 0.84 -1.33 -0.65 0.00 -1.24 -0.84 0.77 115.58 113.14 2ddh h ASN 386 Ca 0.16 0.10 -0.00 0.00 0.71 0.00 0.00 56.30 57.27 2ddh h ASN 386 Cb 0.45 0.43 -0.03 0.00 0.73 0.00 0.00 38.32 39.89 2ddh h ASN 386 CO 0.02 -0.68 0.40 0.00 -1.29 0.00 0.00 177.43 175.88 2ddh h ALA 387 N -0.89 0.83 -0.83 1.57 0.00 -1.41 -2.87 119.26 115.67 2ddh h ALA 387 Ca -0.07 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.83 2ddh h ALA 387 Cb 0.88 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 2ddh h ALA 387 CO -0.03 0.30 0.54 0.78 0.00 0.00 0.00 179.25 180.85 2ddh h GLY 388 N 0.89 1.17 1.02 0.00 0.00 -0.77 -1.87 103.07 103.51 2ddh h GLY 388 Ca 0.24 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 2ddh h GLY 388 CO -0.05 0.26 0.22 -2.22 0.00 0.00 0.00 176.54 174.76 2ddh h ILE 389 N 0.91 1.25 0.00 2.60 2.04 -0.62 -1.79 117.51 121.90 2ddh h ILE 389 Ca 0.36 -0.83 -0.09 0.00 1.00 0.00 0.00 64.86 65.30 2ddh h ILE 389 Cb 0.23 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 2ddh h ILE 389 CO -0.13 0.32 -0.42 -0.33 0.00 0.00 0.00 178.15 177.60 2ddh h GLU 390 N 0.95 0.00 -0.49 2.37 4.39 -1.38 -1.98 114.58 118.43 2ddh h GLU 390 Ca 0.21 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.79 2ddh h GLU 390 Cb 0.27 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 2ddh h GLU 390 CO -0.01 0.42 -0.17 0.93 -1.16 0.00 0.00 179.01 179.02 2ddh h GLU 391 N 0.00 0.97 -0.51 2.33 4.39 -0.90 -1.79 114.58 119.07 2ddh h GLU 391 Ca -0.00 -0.39 -0.03 0.00 0.34 0.00 0.00 59.36 59.27 2ddh h GLU 391 Cb 0.82 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 2ddh h GLU 391 CO 0.05 1.06 0.18 0.00 -1.16 0.00 0.00 179.01 179.14 2ddh h ARG 393 N 0.69 -0.02 0.00 0.00 1.12 -1.19 -2.88 114.38 112.11 2ddh h ARG 393 Ca 0.17 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.98 2ddh h ARG 393 Cb 0.24 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.19 2ddh h ARG 393 CO -0.01 -0.01 -0.30 0.52 -3.11 0.00 0.00 179.97 177.06 2ddh h MET 394 N -0.02 0.00 0.00 0.20 2.86 -1.20 -2.35 114.93 114.43 2ddh h MET 394 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2ddh h MET 394 Cb 0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2ddh h MET 394 CO -0.05 0.30 0.00 0.00 1.06 0.00 0.00 176.91 178.22 2ddh n ALA 395 N -2.40 1.56 1.35 6.32 0.00 -0.53 -1.51 120.51 125.30 2ddh n ALA 395 Ca -0.02 0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.65 2ddh n ALA 395 Cb 0.37 -1.38 0.43 0.00 0.00 0.00 0.00 19.45 18.87 2ddh n ALA 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ddh n GLY 397 N 1.12 0.51 0.16 0.00 0.00 -0.57 -3.61 105.19 102.80 2ddh n GLY 397 Ca 0.17 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.34 2ddh n GLY 397 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ddh h GLY 398 N 0.00 0.47 1.75 -0.02 0.00 -1.92 -2.04 103.07 101.31 2ddh h GLY 398 Ca 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.28 2ddh h GLY 398 CO 0.00 0.01 0.12 0.45 0.00 0.00 0.00 176.54 177.12 2ddh h HIS 399 N 0.26 0.00 0.00 5.60 3.86 -1.95 0.22 115.15 123.14 2ddh h HIS 399 Ca 0.18 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.32 2ddh h HIS 399 Cb 0.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 2ddh h HIS 399 CO -0.16 0.00 -0.32 0.78 0.86 0.00 0.00 177.93 179.09 2ddh h GLY 400 N 0.00 0.00 2.00 2.45 0.00 -1.43 -2.85 103.07 103.24 2ddh h GLY 400 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 2ddh h GLY 400 CO -0.00 0.00 -0.50 -1.82 0.00 0.00 0.00 176.54 174.22 2ddh h TYR 401 N 0.00 0.00 -4.05 5.60 3.20 -1.06 -3.42 116.97 117.23 2ddh h TYR 401 Ca -0.00 0.00 -0.49 0.00 3.14 0.00 0.00 58.73 61.38 2ddh h TYR 401 Cb 0.59 0.00 0.05 0.00 1.54 0.00 0.00 36.73 38.91 2ddh h TYR 401 CO 0.00 0.50 0.42 0.45 -1.64 0.00 0.00 178.16 177.89 2ddh s SER 402 N -6.72 6.13 0.14 -2.11 0.15 -1.08 -4.89 113.70 105.33 2ddh s SER 402 Ca -0.01 2.10 0.15 0.00 0.70 0.00 0.00 55.95 58.89 2ddh s SER 402 Cb 0.12 -2.58 0.70 0.00 -1.71 0.00 0.00 66.02 62.56 2ddh s SER 402 CO 0.73 -0.93 1.47 1.41 1.20 0.00 0.00 173.24 177.12 2ddh n HIS 403 N -0.90 0.39 0.29 3.44 8.25 -1.26 -1.71 115.22 123.72 2ddh n HIS 403 Ca 0.09 0.17 0.17 0.00 -0.26 0.00 0.00 57.72 57.90 2ddh n HIS 403 Cb 0.51 -0.78 0.85 0.00 1.12 0.00 0.00 29.99 31.69 2ddh n HIS 403 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2ddh h SER 404 N 0.00 0.00 1.40 0.41 4.64 -1.88 0.07 113.55 118.18 2ddh h SER 404 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2ddh h SER 404 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 2ddh h SER 404 CO 0.00 0.04 -0.20 0.77 -0.87 0.00 0.00 176.83 176.58 2ddh h SER 405 N 0.00 0.00 0.00 4.97 4.64 -1.48 0.41 113.55 122.09 2ddh h SER 405 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ddh h SER 405 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2ddh h SER 405 CO 0.01 0.20 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 2ddh n GLY 406 N 0.68 2.90 0.22 -0.77 0.00 0.01 -4.52 105.19 103.72 2ddh n GLY 406 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 2ddh n GLY 406 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2ddh h ILE 407 N 0.00 1.30 -0.88 -0.61 2.04 -1.85 -3.04 117.51 114.47 2ddh h ILE 407 Ca 0.00 -1.80 0.06 0.00 1.00 0.00 0.00 64.86 64.12 2ddh h ILE 407 Cb 0.00 1.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.77 2ddh h ILE 407 CO 0.00 0.57 0.58 -0.65 0.00 0.00 0.00 178.15 178.65 2ddh h PRO 408 N 0.52 0.98 -0.49 2.37 0.11 -1.86 -0.16 132.00 133.47 2ddh h PRO 408 Ca 0.00 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.93 2ddh h PRO 408 Cb 1.15 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 2ddh h PRO 408 CO 0.12 0.65 -0.18 -0.97 -0.21 0.00 0.00 178.00 177.40 2ddh h ASN 409 N 1.01 1.00 -0.34 -2.05 -1.24 -1.91 -1.20 115.58 110.84 2ddh h ASN 409 Ca 0.38 -0.36 -0.00 0.00 0.71 0.00 0.00 56.30 57.02 2ddh h ASN 409 Cb 0.18 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.94 2ddh h ASN 409 CO -0.14 1.15 0.20 0.40 -1.29 0.00 0.00 177.43 177.75 2ddh h ILE 410 N 0.85 1.13 0.38 2.57 2.04 -1.22 -0.30 117.51 122.96 2ddh h ILE 410 Ca 0.12 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 2ddh h ILE 410 Cb 0.75 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2ddh h ILE 410 CO 0.06 0.13 -0.18 0.22 0.00 0.00 0.00 178.15 178.38 2ddh h TYR 411 N 0.44 -0.47 -0.84 1.37 3.20 -0.94 -0.35 116.97 119.39 2ddh h TYR 411 Ca 0.12 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.03 2ddh h TYR 411 Cb 0.03 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 2ddh h TYR 411 CO -0.03 -0.23 0.55 0.28 -1.64 0.00 0.00 178.16 177.08 2ddh h VAL 412 N -0.61 1.08 -0.09 1.81 2.07 -1.18 0.22 116.25 119.56 2ddh h VAL 412 Ca -0.05 -0.33 -0.20 0.00 0.82 0.00 0.00 66.70 66.94 2ddh h VAL 412 Cb 0.45 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2ddh h VAL 412 CO 0.09 0.18 -0.77 0.74 0.02 0.00 0.00 177.57 177.82 2ddh h THR 413 N 0.97 1.35 0.14 2.57 2.02 -0.95 -3.36 112.91 115.65 2ddh h THR 413 Ca 0.35 -2.13 -0.21 0.00 0.77 0.00 0.00 66.41 65.19 2ddh h THR 413 Cb 0.15 2.11 0.02 0.00 -1.74 0.00 0.00 68.15 68.69 2ddh h THR 413 CO -0.12 0.65 -0.94 0.15 0.37 0.00 0.00 175.52 175.63 2ddh h PHE 414 N 0.34 0.54 -1.56 3.16 3.04 -0.32 -3.39 116.94 118.74 2ddh h PHE 414 Ca -0.04 -0.39 0.46 0.00 3.98 0.00 0.00 57.97 61.98 2ddh h PHE 414 Cb 1.36 -0.02 -0.08 0.00 2.56 0.00 0.00 35.95 39.78 2ddh h PHE 414 CO 0.06 1.36 1.10 0.00 -2.02 0.00 0.00 178.31 178.81 2ddh h THR 415 N -0.35 0.19 0.00 4.41 1.03 -0.73 0.24 112.91 117.69 2ddh h THR 415 Ca -0.17 -0.01 0.00 0.00 -0.01 0.00 0.00 66.41 66.21 2ddh h THR 415 Cb 1.67 0.15 0.00 0.00 -1.07 0.00 0.00 68.15 68.91 2ddh h THR 415 CO 0.14 0.01 0.00 -0.65 -0.01 0.00 0.00 175.52 175.00 2ddh h PRO 416 N 0.03 0.00 0.00 0.00 0.11 -1.78 -2.18 132.00 128.18 2ddh h PRO 416 Ca 0.78 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.88 2ddh h PRO 416 Cb 2.97 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 34.08 2ddh h PRO 416 CO -0.09 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 177.66 2ddh h ALA 417 N 2.07 1.24 0.00 -0.75 0.00 -1.25 0.67 119.26 121.24 2ddh h ALA 417 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ddh h ALA 417 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2ddh h ALA 417 CO 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 179.25 179.17 2ddh n THR 419 N -2.38 1.18 -2.50 0.00 -1.04 -0.12 -2.06 114.28 107.36 2ddh n THR 419 Ca 0.05 -0.34 -0.24 0.00 -2.04 0.00 0.00 64.05 61.48 2ddh n THR 419 Cb 0.45 -1.64 0.04 0.00 -1.82 0.00 0.00 70.33 67.36 2ddh n THR 419 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2ddh s PHE 420 N -2.40 3.02 -1.21 -1.42 -0.12 0.04 -3.13 117.98 112.76 2ddh s PHE 420 Ca -0.29 0.32 -0.07 0.00 -0.05 0.00 0.00 56.93 56.84 2ddh s PHE 420 Cb 0.10 -2.82 0.01 0.00 -0.63 0.00 0.00 43.02 39.68 2ddh s PHE 420 CO 0.40 -0.95 0.86 0.39 -0.05 0.00 0.00 175.22 175.87 2ddh n GLU 421 N -2.54 -6.01 -0.07 1.99 -0.58 -1.26 -4.59 120.64 107.59 2ddh n GLU 421 Ca 0.06 0.73 0.00 0.00 -0.42 0.00 0.00 57.16 57.53 2ddh n GLU 421 Cb 0.59 -5.38 0.00 0.00 -0.57 0.00 0.00 31.44 26.08 2ddh n GLU 421 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ddh n GLY 422 N -1.68 0.37 3.70 0.62 0.00 -1.26 -4.95 105.19 101.99 2ddh n GLY 422 Ca -0.02 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 2ddh n GLY 422 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ddh n GLU 423 N 2.08 2.44 -0.27 1.61 0.00 -1.18 -4.71 120.64 120.60 2ddh n GLU 423 Ca 0.00 0.88 0.07 0.00 0.00 0.00 0.00 57.16 58.10 2ddh n GLU 423 Cb 0.00 -2.64 0.18 0.00 0.00 0.00 0.00 31.44 28.98 2ddh n GLU 423 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 2ddh h ASN 424 N 5.42 -0.34 -0.55 4.31 4.21 -1.68 0.10 115.58 127.05 2ddh h ASN 424 Ca -0.45 0.21 -0.02 0.00 1.21 0.00 0.00 56.30 57.25 2ddh h ASN 424 Cb 1.24 0.36 -0.03 0.00 -1.12 0.00 0.00 38.32 38.77 2ddh h ASN 424 CO 0.85 -0.20 0.27 0.74 -1.29 0.00 0.00 177.43 177.80 2ddh h THR 425 N 0.10 1.20 -0.87 2.81 2.02 -1.89 0.23 112.91 116.51 2ddh h THR 425 Ca 0.45 -0.57 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 2ddh h THR 425 Cb 0.81 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 2ddh h THR 425 CO -0.70 0.23 0.47 0.58 0.37 0.00 0.00 175.52 176.47 2ddh h VAL 426 N 0.74 1.26 -0.63 3.16 2.07 -1.47 -1.45 116.25 119.92 2ddh h VAL 426 Ca 0.19 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 2ddh h VAL 426 Cb 0.12 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 2ddh h VAL 426 CO -0.02 0.29 0.09 0.24 0.02 0.00 0.00 177.57 178.19 2ddh h MET 427 N 1.22 1.06 -0.45 1.57 2.07 -0.52 -1.56 114.93 118.33 2ddh h MET 427 Ca 0.31 -0.29 -0.06 0.00 -2.07 0.00 0.00 59.70 57.59 2ddh h MET 427 Cb 0.04 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 29.63 2ddh h MET 427 CO -0.05 0.98 0.03 0.52 1.07 0.00 0.00 176.91 179.47 2ddh h MET 428 N 0.97 0.71 0.00 1.72 2.86 -0.54 -1.59 114.93 119.05 2ddh h MET 428 Ca 0.19 -0.16 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 2ddh h MET 428 Cb 0.45 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 2ddh h MET 428 CO 0.01 0.70 -0.46 -0.07 1.06 0.00 0.00 176.91 178.15 2ddh h LEU 429 N 0.67 0.00 -0.40 1.22 -0.00 -0.84 -0.51 115.31 115.45 2ddh h LEU 429 Ca 0.14 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.91 2ddh h LEU 429 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.02 2ddh h LEU 429 CO 0.01 0.46 -0.17 -0.61 -0.00 0.00 0.00 178.44 178.13 2ddh h GLN 430 N 0.00 0.83 -0.53 1.13 4.15 -0.60 -1.00 115.11 119.07 2ddh h GLN 430 Ca -0.00 -0.35 -0.05 0.00 0.77 0.00 0.00 58.65 59.01 2ddh h GLN 430 Cb 0.86 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.50 2ddh h GLN 430 CO 0.06 0.98 0.11 1.15 -1.93 0.00 0.00 178.83 179.21 2ddh h THR 431 N 0.64 1.23 -0.34 2.39 2.02 -0.91 -2.54 112.91 115.40 2ddh h THR 431 Ca 0.09 -0.84 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 2ddh h THR 431 Cb 0.72 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2ddh h THR 431 CO 0.05 0.31 -0.13 0.00 0.37 0.00 0.00 175.52 176.13 2ddh h ALA 432 N 1.33 1.14 -0.72 6.16 0.00 -0.73 -1.96 119.26 124.48 2ddh h ALA 432 Ca 0.17 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2ddh h ALA 432 Cb 0.32 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2ddh h ALA 432 CO 0.00 0.54 0.28 0.00 0.00 0.00 0.00 179.25 180.08 2ddh h ARG 433 N 0.55 1.08 -0.22 0.00 3.08 -0.77 -1.02 114.38 117.09 2ddh h ARG 433 Ca 0.10 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2ddh h ARG 433 Cb 0.54 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2ddh h ARG 433 CO 0.03 0.89 0.09 0.35 -1.07 0.00 0.00 179.97 180.27 2ddh h PHE 434 N 1.04 0.33 -0.86 3.04 3.57 -1.27 -1.95 116.94 120.83 2ddh h PHE 434 Ca 0.24 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.73 2ddh h PHE 434 Cb 0.22 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 2ddh h PHE 434 CO 0.02 0.37 0.57 -0.07 -2.23 0.00 0.00 178.31 176.96 2ddh h LEU 435 N 0.20 0.97 -0.87 0.59 3.38 -1.07 -1.00 115.31 117.51 2ddh h LEU 435 Ca 0.07 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2ddh h LEU 435 Cb 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2ddh h LEU 435 CO -0.01 0.69 -0.47 0.24 0.09 0.00 0.00 178.44 178.99 2ddh h MET 436 N 1.14 0.21 -0.15 1.13 2.86 -1.04 0.30 114.93 119.39 2ddh h MET 436 Ca 0.32 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.83 2ddh h MET 436 Cb -0.09 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2ddh h MET 436 CO -0.08 0.64 0.01 0.87 1.06 0.00 0.00 176.91 179.42 2ddh h LYS 437 N 0.17 0.25 -0.65 1.72 1.79 -0.51 -0.02 116.57 119.32 2ddh h LYS 437 Ca 0.01 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.34 2ddh h LYS 437 Cb 0.90 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.49 2ddh h LYS 437 CO 0.07 0.46 0.14 0.82 -1.08 0.00 0.00 179.45 179.86 2ddh h ILE 438 N 0.01 1.26 -0.30 1.86 1.08 -1.11 -0.75 117.51 119.56 2ddh h ILE 438 Ca 0.04 -0.96 0.03 0.00 -0.39 0.00 0.00 64.86 63.59 2ddh h ILE 438 Cb 0.34 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 34.69 2ddh h ILE 438 CO 0.01 0.36 0.10 0.22 -0.69 0.00 0.00 178.15 178.15 2ddh h TYR 439 N 0.97 0.18 -0.41 1.37 3.20 -0.75 -1.13 116.97 120.40 2ddh h TYR 439 Ca 0.20 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.04 2ddh h TYR 439 Cb 0.38 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 2ddh h TYR 439 CO 0.03 0.08 0.06 -0.44 -1.64 0.00 0.00 178.16 176.24 2ddh h ASP 440 N 0.23 0.58 -0.22 -2.11 3.32 -0.60 -0.77 116.42 116.85 2ddh h ASP 440 Ca 0.13 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 2ddh h ASP 440 Cb 0.10 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2ddh h ASP 440 CO -0.14 0.61 0.06 1.56 -1.72 0.00 0.00 179.24 179.61 2ddh h GLN 441 N 0.60 0.34 -0.84 3.56 4.20 -0.47 -1.35 115.11 121.15 2ddh h GLN 441 Ca 0.13 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 2ddh h GLN 441 Cb 0.29 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 2ddh h GLN 441 CO 0.00 0.45 0.39 0.28 -0.67 0.00 0.00 178.83 179.29 2ddh h VAL 442 N 0.17 1.26 -0.12 -0.54 2.07 -0.98 -0.96 116.25 117.15 2ddh h VAL 442 Ca 0.07 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 2ddh h VAL 442 Cb 0.26 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2ddh h VAL 442 CO -0.00 0.32 -0.05 -0.09 0.02 0.00 0.00 177.57 177.77 2ddh h ARG 443 N 1.21 0.17 0.00 1.57 9.65 -0.93 -1.66 114.38 124.38 2ddh h ARG 443 Ca 0.29 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.14 2ddh h ARG 443 Cb 0.13 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.68 2ddh h ARG 443 CO -0.03 0.23 -0.09 0.43 2.80 0.00 0.00 179.97 183.30 2ddh n SER 444 N -4.39 0.79 0.00 -3.80 7.64 -0.53 -4.92 113.62 108.42 2ddh n SER 444 Ca -0.01 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.37 2ddh n SER 444 Cb 0.18 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 2ddh n SER 444 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ddh n GLY 445 N 1.32 1.20 3.85 0.23 0.00 -0.62 -5.09 105.19 106.07 2ddh n GLY 445 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2ddh n GLY 445 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ddh s LYS 446 N -0.25 3.91 -0.30 1.61 2.20 -0.46 -4.99 119.74 121.47 2ddh s LYS 446 Ca 0.00 0.41 -0.16 0.00 -0.36 0.00 0.00 55.97 55.86 2ddh s LYS 446 Cb 0.00 -2.86 -0.03 0.00 -1.51 0.00 0.00 37.83 33.44 2ddh s LYS 446 CO 0.00 0.44 0.41 -0.51 -0.36 0.00 0.00 175.35 175.32 2ddh s LEU 447 N -2.19 4.16 0.26 5.43 2.01 -1.26 -3.94 118.68 123.15 2ddh s LEU 447 Ca 0.40 0.16 0.03 0.00 0.01 0.00 0.00 54.13 54.73 2ddh s LEU 447 Cb -0.14 -2.46 -0.03 0.00 0.01 0.00 0.00 46.19 43.57 2ddh s LEU 447 CO 0.20 -0.27 0.41 0.68 1.01 0.00 0.00 176.35 178.37 2ddh s VAL 448 N 2.13 5.22 0.00 -1.59 -7.23 -1.26 -5.09 120.40 112.59 2ddh s VAL 448 Ca 0.15 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.53 2ddh s VAL 448 Cb -0.16 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 32.94 2ddh s VAL 448 CO 0.11 -0.37 0.00 0.61 -0.31 0.00 0.00 175.10 175.14 2ddh n GLY 449 N -1.41 6.62 7.00 2.32 0.00 -1.26 -4.53 105.19 113.92 2ddh n GLY 449 Ca -0.08 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2ddh n GLY 449 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ddh n GLY 450 N 4.91 -0.02 0.00 -0.02 0.00 -1.26 -3.19 105.19 105.61 2ddh n GLY 450 Ca 0.00 -1.00 0.05 0.00 0.00 0.00 0.00 46.02 45.07 2ddh n GLY 450 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ddh n MET 451 N -0.21 0.07 -0.37 1.61 2.81 -1.26 -2.22 117.12 117.55 2ddh n MET 451 Ca 0.00 0.26 0.12 0.00 -1.81 0.00 0.00 57.70 56.27 2ddh n MET 451 Cb 0.00 -1.50 0.32 0.00 -0.71 0.00 0.00 33.22 31.33 2ddh n MET 451 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2ddh n VAL 452 N -1.39 1.00 -0.31 2.03 0.24 -1.20 -4.50 118.33 114.20 2ddh n VAL 452 Ca 0.04 -1.00 0.22 0.00 -2.04 0.00 0.00 64.34 61.55 2ddh n VAL 452 Cb 0.10 0.50 0.50 0.00 -1.47 0.00 0.00 33.84 33.47 2ddh n VAL 452 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2ddh h SER 453 N 4.31 0.45 -0.13 -1.34 0.02 -1.41 0.11 113.55 115.56 2ddh h SER 453 Ca 0.00 0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.06 2ddh h SER 453 Cb 0.99 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 2ddh h SER 453 CO 0.00 0.12 0.23 0.10 -1.14 0.00 0.00 176.83 176.13 2ddh h TYR 454 N 0.41 0.00 0.00 3.45 -0.00 -1.86 0.18 116.97 119.15 2ddh h TYR 454 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.29 2ddh h TYR 454 Cb 1.40 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.13 2ddh h TYR 454 CO -0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 178.16 178.09 2ddh h LEU 455 N 0.00 0.00 -1.62 0.10 -0.00 -1.13 -1.43 115.31 111.23 2ddh h LEU 455 Ca 0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.91 2ddh h LEU 455 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.17 2ddh h LEU 455 CO -0.00 0.00 -0.14 0.78 -0.00 0.00 0.00 178.44 179.08 2ddh h ASN 456 N 0.00 0.00 -0.05 -0.43 2.35 -1.13 -2.80 115.58 113.51 2ddh h ASN 456 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2ddh h ASN 456 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 2ddh h ASN 456 CO 0.00 0.14 0.00 0.47 -1.65 0.00 0.00 177.43 176.39 2ddh n ASP 457 N -3.44 0.51 -4.74 5.81 9.92 -0.54 -4.90 116.55 119.16 2ddh n ASP 457 Ca -0.01 -1.55 -0.31 0.00 -0.53 0.00 0.00 54.79 52.39 2ddh n ASP 457 Cb 0.31 -0.03 0.11 0.00 -0.64 0.00 0.00 41.12 40.87 2ddh n ASP 457 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2ddh s LEU 458 N -1.52 2.75 0.78 0.64 1.43 -1.06 -4.65 118.68 117.04 2ddh s LEU 458 Ca 0.27 1.75 -0.11 0.00 -1.03 0.00 0.00 54.13 55.01 2ddh s LEU 458 Cb 0.13 -4.32 0.06 0.00 0.03 0.00 0.00 46.19 42.09 2ddh s LEU 458 CO 0.21 -2.34 1.09 -2.84 0.23 0.00 0.00 176.35 172.70 2ddh s PRO 459 N -4.88 2.22 0.29 1.29 0.02 -1.26 -5.14 135.00 127.53 2ddh s PRO 459 Ca 0.62 0.74 0.03 0.00 0.02 0.00 0.00 61.00 62.41 2ddh s PRO 459 Cb -0.18 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.38 2ddh s PRO 459 CO 0.57 -1.55 0.15 -1.54 -0.33 0.00 0.00 177.00 174.30 2ddh s SER 460 N -3.82 1.33 0.00 2.53 1.04 -1.26 -5.13 113.70 108.38 2ddh s SER 460 Ca 0.60 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 55.52 2ddh s SER 460 Cb -0.15 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.33 2ddh s SER 460 CO 0.55 -0.86 0.00 1.33 0.98 0.00 0.00 173.24 175.23 2ddh n VAL 475 N -0.53 0.00 -3.93 5.02 0.24 -1.26 -5.04 118.33 112.83 2ddh n VAL 475 Ca 0.01 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 62.01 2ddh n VAL 475 Cb 0.65 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.87 2ddh n VAL 475 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2ddh s ASP 476 N -0.14 4.08 0.00 -1.34 3.68 -1.26 -4.97 116.67 116.72 2ddh s ASP 476 Ca 0.00 -1.44 0.12 0.00 2.13 0.00 0.00 52.55 53.36 2ddh s ASP 476 Cb 0.00 -1.23 0.54 0.00 -1.45 0.00 0.00 42.92 40.78 2ddh s ASP 476 CO 0.00 -0.29 1.36 -0.38 0.13 0.00 0.00 175.17 175.99 2ddh n ILE 477 N 4.61 1.02 0.04 4.11 2.08 -1.26 -2.97 119.36 126.99 2ddh n ILE 477 Ca -0.07 0.26 -0.04 0.00 0.56 0.00 0.00 62.75 63.45 2ddh n ILE 477 Cb 0.43 -1.05 -0.09 0.00 -0.75 0.00 0.00 39.64 38.18 2ddh n ILE 477 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 2ddh h ASN 478 N 0.00 0.00 -2.87 4.38 2.35 -1.96 -3.46 115.58 114.02 2ddh h ASN 478 Ca 0.00 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 55.13 2ddh h ASN 478 Cb 0.18 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.41 2ddh h ASN 478 CO 0.00 0.81 -0.72 -0.94 -1.65 0.00 0.00 177.43 174.93 2ddh s SER 479 N -6.27 4.19 0.47 5.81 1.04 -1.16 -5.01 113.70 112.77 2ddh s SER 479 Ca -0.01 -0.63 0.21 0.00 0.48 0.00 0.00 55.95 56.00 2ddh s SER 479 Cb 0.09 -0.68 1.16 0.00 0.10 0.00 0.00 66.02 66.69 2ddh s SER 479 CO 0.81 0.09 1.99 -0.07 0.98 0.00 0.00 173.24 177.03 2ddh h LEU 480 N 2.76 0.00 -0.32 2.42 3.38 -1.91 -0.19 115.31 121.45 2ddh h LEU 480 Ca -0.46 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.35 2ddh h LEU 480 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2ddh h LEU 480 CO 0.55 0.19 -0.41 -0.33 0.09 0.00 0.00 178.44 178.53 2ddh h GLU 481 N 0.00 0.84 -0.45 1.13 3.07 -1.95 -0.52 114.58 116.70 2ddh h GLU 481 Ca -0.00 -0.48 -0.14 0.00 -0.50 0.00 0.00 59.36 58.24 2ddh h GLU 481 Cb 0.43 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 2ddh h GLU 481 CO 0.03 1.12 -0.25 0.78 -1.40 0.00 0.00 179.01 179.29 2ddh h GLY 482 N 0.62 1.04 1.18 -3.84 0.00 -1.48 -2.09 103.07 98.49 2ddh h GLY 482 Ca 0.04 -0.94 -0.11 0.00 0.00 0.00 0.00 47.33 46.32 2ddh h GLY 482 CO 0.10 0.85 -0.10 1.41 0.00 0.00 0.00 176.54 178.80 2ddh h LEU 483 N 0.82 0.96 -0.61 3.11 3.38 -0.96 -1.36 115.31 120.64 2ddh h LEU 483 Ca 0.10 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 2ddh h LEU 483 Cb 0.82 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2ddh h LEU 483 CO 0.07 1.07 0.24 0.74 0.09 0.00 0.00 178.44 180.65 2ddh h THR 484 N 0.86 1.23 -0.37 0.22 2.02 -1.01 -1.94 112.91 113.92 2ddh h THR 484 Ca 0.14 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 2ddh h THR 484 Cb 0.65 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 2ddh h THR 484 CO 0.04 0.28 0.04 -0.08 0.37 0.00 0.00 175.52 176.18 2ddh h GLU 485 N 0.85 0.55 -0.45 6.66 4.57 -1.11 -0.40 114.58 125.26 2ddh h GLU 485 Ca 0.20 -0.11 -0.06 0.00 -1.18 0.00 0.00 59.36 58.22 2ddh h GLU 485 Cb 0.21 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 2ddh h GLU 485 CO -0.02 0.55 0.06 0.00 -1.18 0.00 0.00 179.01 178.42 2ddh h ALA 486 N 1.52 0.60 -0.15 2.92 0.00 -0.74 -1.24 119.26 122.17 2ddh h ALA 486 Ca 0.12 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 2ddh h ALA 486 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2ddh h ALA 486 CO 0.00 0.33 -0.27 1.88 0.00 0.00 0.00 179.25 181.20 2ddh h TYR 487 N 0.61 0.30 -0.15 0.00 -1.99 -0.81 -0.80 116.97 114.12 2ddh h TYR 487 Ca 0.13 -0.06 -0.03 0.00 2.00 0.00 0.00 58.73 60.78 2ddh h TYR 487 Cb 0.41 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.06 2ddh h TYR 487 CO 0.03 0.52 -0.02 -0.22 -0.00 0.00 0.00 178.16 178.47 2ddh h LYS 488 N 0.24 0.28 -0.28 4.88 3.64 -0.75 -2.06 116.57 122.53 2ddh h LYS 488 Ca 0.04 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 2ddh h LYS 488 Cb 0.61 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2ddh h LYS 488 CO 0.04 0.54 -0.19 -0.07 -2.27 0.00 0.00 179.45 177.50 2ddh h LEU 489 N 0.00 0.51 -0.58 5.20 3.38 -1.04 -1.28 115.31 121.50 2ddh h LEU 489 Ca 0.04 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 2ddh h LEU 489 Cb 0.43 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2ddh h LEU 489 CO 0.01 0.72 0.10 -0.09 0.09 0.00 0.00 178.44 179.27 2ddh h ARG 490 N 0.47 0.95 -0.52 1.13 1.12 -1.07 -0.21 114.38 116.25 2ddh h ARG 490 Ca 0.08 -0.25 -0.06 0.00 -1.11 0.00 0.00 59.98 58.64 2ddh h ARG 490 Cb 0.60 -0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 30.43 2ddh h ARG 490 CO 0.04 0.90 0.09 0.00 -3.11 0.00 0.00 179.97 177.89 2ddh h ALA 491 N 1.01 0.69 -0.71 2.80 0.00 -1.03 -1.30 119.26 120.72 2ddh h ALA 491 Ca 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2ddh h ALA 491 Cb 0.41 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2ddh h ALA 491 CO 0.01 0.42 0.40 0.00 0.00 0.00 0.00 179.25 180.08 2ddh h ALA 492 N 0.98 0.91 -0.31 0.00 0.00 -0.95 -1.17 119.26 118.72 2ddh h ALA 492 Ca 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2ddh h ALA 492 Cb 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2ddh h ALA 492 CO 0.01 0.42 0.11 -0.09 0.00 0.00 0.00 179.25 179.69 2ddh h ARG 493 N 0.98 0.48 0.00 0.00 9.65 -0.73 -1.51 114.38 123.26 2ddh h ARG 493 Ca 0.25 -0.10 -0.08 0.00 -1.10 0.00 0.00 59.98 58.96 2ddh h ARG 493 Cb 0.02 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 2ddh h ARG 493 CO -0.04 0.52 -0.37 -0.07 2.80 0.00 0.00 179.97 182.81 2ddh h LEU 494 N 0.35 0.00 -0.26 3.80 4.07 -1.11 -1.63 115.31 120.53 2ddh h LEU 494 Ca 0.10 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.92 2ddh h LEU 494 Cb 0.23 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.97 2ddh h LEU 494 CO -0.00 0.37 -0.41 0.58 -1.08 0.00 0.00 178.44 177.89 2ddh h VAL 495 N 0.00 1.30 -0.63 1.22 2.07 -1.06 -1.97 116.25 117.19 2ddh h VAL 495 Ca -0.00 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 65.89 2ddh h VAL 495 Cb 0.91 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 2ddh h VAL 495 CO 0.05 0.51 0.31 -0.08 0.02 0.00 0.00 177.57 178.38 2ddh h GLU 496 N 0.47 0.90 -0.55 1.57 4.81 -1.03 -0.93 114.58 119.82 2ddh h GLU 496 Ca 0.02 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 2ddh h GLU 496 Cb 1.00 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 2ddh h GLU 496 CO 0.09 0.72 0.26 0.82 -0.73 0.00 0.00 179.01 180.17 2ddh h ILE 497 N 0.86 1.20 -0.53 2.32 2.04 -1.24 -0.26 117.51 121.89 2ddh h ILE 497 Ca 0.22 -0.58 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 2ddh h ILE 497 Cb 0.11 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2ddh h ILE 497 CO -0.03 0.23 0.12 0.00 0.00 0.00 0.00 178.15 178.48 2ddh h ALA 498 N 1.10 0.70 -0.39 1.87 0.00 -1.10 -1.22 119.26 120.22 2ddh h ALA 498 Ca 0.19 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2ddh h ALA 498 Cb 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2ddh h ALA 498 CO -0.02 0.40 0.06 0.00 0.00 0.00 0.00 179.25 179.69 2ddh h ALA 499 N 1.00 0.52 -0.26 0.00 0.00 -0.97 -0.75 119.26 118.81 2ddh h ALA 499 Ca 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2ddh h ALA 499 Cb 0.35 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2ddh h ALA 499 CO 0.00 0.23 0.12 -0.22 0.00 0.00 0.00 179.25 179.38 2ddh h LYS 500 N 0.49 0.38 -0.58 0.00 1.63 -0.94 -0.38 116.57 117.18 2ddh h LYS 500 Ca 0.12 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.78 2ddh h LYS 500 Cb 0.37 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.91 2ddh h LYS 500 CO 0.01 0.38 0.06 -0.91 -3.45 0.00 0.00 179.45 175.53 2ddh h ASN 501 N 0.28 0.95 -0.69 4.20 2.35 -1.16 -0.90 115.58 120.60 2ddh h ASN 501 Ca 0.09 -0.28 0.01 0.00 -0.55 0.00 0.00 56.30 55.57 2ddh h ASN 501 Cb 0.13 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 2ddh h ASN 501 CO -0.01 0.99 0.46 0.25 -1.65 0.00 0.00 177.43 177.47 2ddh h LEU 502 N 0.87 0.79 -0.56 1.61 5.85 -0.98 -1.96 115.31 120.93 2ddh h LEU 502 Ca 0.17 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2ddh h LEU 502 Cb 0.47 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 2ddh h LEU 502 CO 0.02 0.57 0.25 -0.61 -0.34 0.00 0.00 178.44 178.32 2ddh h GLN 503 N 0.93 0.82 -0.69 1.25 4.15 -0.73 -1.47 115.11 119.37 2ddh h GLN 503 Ca 0.26 -0.13 0.05 0.00 0.77 0.00 0.00 58.65 59.59 2ddh h GLN 503 Cb -0.10 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 27.40 2ddh h GLN 503 CO -0.06 0.69 0.41 1.15 -1.93 0.00 0.00 178.83 179.09 2ddh h THR 504 N 0.76 1.01 -0.38 2.39 2.02 -0.72 -0.24 112.91 117.75 2ddh h THR 504 Ca 0.19 -0.26 -0.12 0.00 0.77 0.00 0.00 66.41 66.99 2ddh h THR 504 Cb 0.16 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 2ddh h THR 504 CO -0.02 0.14 -0.25 0.45 0.37 0.00 0.00 175.52 176.21 2ddh h HIS 505 N 0.76 0.87 -0.43 3.16 3.86 -1.05 -2.08 115.15 120.25 2ddh h HIS 505 Ca 0.30 -0.21 -0.07 0.00 -1.16 0.00 0.00 60.37 59.24 2ddh h HIS 505 Cb 0.14 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 2ddh h HIS 505 CO -0.06 0.93 0.01 0.28 0.86 0.00 0.00 177.93 179.95 2ddh h VAL 506 N 0.66 1.26 -0.60 2.45 2.07 -0.72 0.53 116.25 121.90 2ddh h VAL 506 Ca 0.09 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.59 2ddh h VAL 506 Cb 0.76 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 2ddh h VAL 506 CO 0.06 0.35 0.38 -1.28 0.02 0.00 0.00 177.57 177.10 2ddh h SER 507 N 0.59 0.70 0.87 0.57 0.87 -0.91 0.20 113.55 116.44 2ddh h SER 507 Ca 0.12 -0.04 -0.19 0.00 -1.23 0.00 0.00 61.79 60.46 2ddh h SER 507 Cb 0.48 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 2ddh h SER 507 CO 0.02 0.53 -1.22 0.45 -0.53 0.00 0.00 176.83 176.08 2ddh h HIS 508 N 0.81 0.00 -0.01 2.24 3.86 -1.32 -3.38 115.15 117.35 2ddh h HIS 508 Ca 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 2ddh h HIS 508 Cb -0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.41 2ddh h HIS 508 CO -0.03 0.70 -0.06 0.54 0.86 0.00 0.00 177.93 179.94 2ddh n ARG 509 N -3.05 1.06 0.00 2.45 1.74 0.17 -5.03 116.66 113.99 2ddh n ARG 509 Ca -0.07 -0.72 0.00 0.00 -0.77 0.00 0.00 57.85 56.29 2ddh n ARG 509 Cb 0.87 -1.06 0.00 0.00 -1.02 0.00 0.00 32.46 31.25 2ddh n ARG 509 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2ddh n LYS 510 N 0.06 0.00 -1.72 5.56 4.81 0.69 -4.90 118.16 122.67 2ddh n LYS 510 Ca 0.03 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.05 2ddh n LYS 510 Cb 0.16 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.18 2ddh n LYS 510 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2ddh s SER 511 N 0.00 6.32 0.35 3.14 0.15 -1.26 -4.86 113.70 117.53 2ddh s SER 511 Ca 0.00 2.47 0.12 0.00 0.70 0.00 0.00 55.95 59.24 2ddh s SER 511 Cb 0.00 -2.53 0.62 0.00 -1.71 0.00 0.00 66.02 62.41 2ddh s SER 511 CO 0.00 -1.19 1.77 0.11 1.20 0.00 0.00 173.24 175.14 2ddh h LYS 512 N 11.16 0.02 -0.47 5.44 1.57 -1.91 -0.84 116.57 131.54 2ddh h LYS 512 Ca -0.47 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.22 2ddh h LYS 512 Cb 1.23 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 2ddh h LYS 512 CO 0.95 0.44 -0.02 0.93 -0.57 0.00 0.00 179.45 181.18 2ddh h GLU 513 N 0.02 0.85 -0.33 3.15 5.08 -1.99 0.14 114.58 121.49 2ddh h GLU 513 Ca -0.00 -0.28 -0.16 0.00 -1.00 0.00 0.00 59.36 57.92 2ddh h GLU 513 Cb 0.76 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 2ddh h GLU 513 CO 0.06 0.91 -0.40 0.28 -1.00 0.00 0.00 179.01 178.85 2ddh h VAL 514 N 0.70 1.28 -0.63 3.13 2.07 -1.91 -2.85 116.25 118.04 2ddh h VAL 514 Ca 0.13 -1.58 0.02 0.00 0.82 0.00 0.00 66.70 66.09 2ddh h VAL 514 Cb 0.54 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 2ddh h VAL 514 CO 0.03 0.52 0.39 0.00 0.02 0.00 0.00 177.57 178.53 2ddh h ALA 515 N 0.72 0.81 -0.35 1.67 0.00 -0.93 -1.54 119.26 119.64 2ddh h ALA 515 Ca 0.04 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2ddh h ALA 515 Cb 1.00 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2ddh h ALA 515 CO 0.10 0.16 0.14 2.35 0.00 0.00 0.00 179.25 181.99 2ddh h TRP 516 N 0.79 0.25 -0.54 0.00 2.91 -0.66 -2.13 115.95 116.56 2ddh h TRP 516 Ca 0.25 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.27 2ddh h TRP 516 Cb -0.01 -0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 28.55 2ddh h TRP 516 CO -0.05 0.11 0.29 -0.97 -1.03 0.00 0.00 178.44 176.80 2ddh h ASN 517 N 0.30 0.69 0.49 2.65 -1.24 -1.21 -0.87 115.58 116.38 2ddh h ASN 517 Ca 0.16 -0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.07 2ddh h ASN 517 Cb 0.11 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 38.99 2ddh h ASN 517 CO -0.15 0.59 0.00 0.18 -1.29 0.00 0.00 177.43 176.76 2ddh n LEU 518 N -4.61 0.39 -0.03 0.34 4.77 -0.62 -1.96 117.00 115.29 2ddh n LEU 518 Ca 0.03 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 2ddh n LEU 518 Cb 0.09 -0.58 0.01 0.00 -2.33 0.00 0.00 43.42 40.61 2ddh n LEU 518 CO 0.37 -0.52 0.49 0.35 -1.33 0.00 0.00 177.39 176.75 2ddh n THR 519 N -1.96 0.95 -0.11 -5.08 -2.24 -0.84 -4.76 114.28 100.25 2ddh n THR 519 Ca 0.02 -0.98 0.05 0.00 -2.27 0.00 0.00 64.05 60.87 2ddh n THR 519 Cb 0.16 0.52 0.37 0.00 -2.10 0.00 0.00 70.33 69.29 2ddh n THR 519 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2ddh h SER 520 N 0.09 0.60 -0.53 3.42 4.64 -0.50 0.75 113.55 122.02 2ddh h SER 520 Ca 0.00 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 2ddh h SER 520 Cb 0.49 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 2ddh h SER 520 CO 0.00 0.42 0.00 0.58 -0.87 0.00 0.00 176.83 176.96 2ddh h VAL 521 N 0.70 1.26 -0.50 0.95 2.07 -1.86 -1.14 116.25 117.73 2ddh h VAL 521 Ca 0.24 -1.10 -0.13 0.00 0.82 0.00 0.00 66.70 66.53 2ddh h VAL 521 Cb 0.07 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2ddh h VAL 521 CO -0.06 0.39 -0.18 0.44 0.02 0.00 0.00 177.57 178.18 2ddh h ASP 522 N 0.82 1.03 -0.17 0.57 3.45 -1.71 -2.67 116.42 117.74 2ddh h ASP 522 Ca 0.15 -0.37 -0.00 0.00 0.43 0.00 0.00 57.03 57.23 2ddh h ASP 522 Cb 0.53 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.01 2ddh h ASP 522 CO 0.03 1.17 0.09 -0.07 -1.57 0.00 0.00 179.24 178.89 2ddh h LEU 523 N 0.88 0.21 -1.20 1.55 3.38 -0.67 -1.47 115.31 117.98 2ddh h LEU 523 Ca 0.12 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2ddh h LEU 523 Cb 0.76 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 2ddh h LEU 523 CO 0.06 0.25 0.55 1.62 0.09 0.00 0.00 178.44 181.00 2ddh h VAL 524 N 0.16 1.19 -0.45 1.22 3.04 -1.19 -0.99 116.25 119.24 2ddh h VAL 524 Ca 0.06 -0.38 -0.04 0.00 -1.01 0.00 0.00 66.70 65.33 2ddh h VAL 524 Cb 0.09 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 29.35 2ddh h VAL 524 CO -0.01 0.20 0.11 0.03 -1.01 0.00 0.00 177.57 176.89 2ddh h ARG 525 N 1.09 0.68 -0.34 4.17 3.08 -1.10 0.39 114.38 122.35 2ddh h ARG 525 Ca 0.31 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 60.16 2ddh h ARG 525 Cb -0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 2ddh h ARG 525 CO -0.07 0.62 -0.08 0.00 -1.07 0.00 0.00 179.97 179.37 2ddh h ALA 526 N 1.46 0.46 -0.75 0.04 0.00 -0.17 -1.28 119.26 119.01 2ddh h ALA 526 Ca 0.15 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2ddh h ALA 526 Cb 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2ddh h ALA 526 CO -0.00 0.30 0.30 0.77 0.00 0.00 0.00 179.25 180.62 2ddh h SER 527 N 0.43 1.04 -0.42 0.00 0.02 -0.73 -1.04 113.55 112.85 2ddh h SER 527 Ca 0.09 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 2ddh h SER 527 Cb 0.58 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2ddh h SER 527 CO 0.03 0.93 0.23 -0.08 -1.14 0.00 0.00 176.83 176.80 2ddh h GLU 528 N 1.09 0.60 -0.69 3.45 4.81 -0.77 -1.34 114.58 121.73 2ddh h GLU 528 Ca 0.25 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 2ddh h GLU 528 Cb 0.21 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2ddh h GLU 528 CO -0.02 0.49 0.19 0.00 -0.73 0.00 0.00 179.01 178.94 2ddh h ALA 529 N 1.08 1.04 -0.19 2.92 0.00 -0.95 -0.73 119.26 122.43 2ddh h ALA 529 Ca 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2ddh h ALA 529 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2ddh h ALA 529 CO -0.02 0.64 0.07 1.25 0.00 0.00 0.00 179.25 181.19 2ddh h HIS 530 N 1.03 0.29 -0.51 0.00 -0.00 -0.91 -1.93 115.15 113.11 2ddh h HIS 530 Ca 0.22 -0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.51 2ddh h HIS 530 Cb 0.33 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.63 2ddh h HIS 530 CO 0.02 0.36 0.10 0.00 -0.00 0.00 0.00 177.93 178.42 2ddh h HIS 532 N 0.76 0.63 -0.53 0.00 6.17 -0.95 -0.64 115.15 120.60 2ddh h HIS 532 Ca 0.16 -0.03 0.02 0.00 0.71 0.00 0.00 60.37 61.24 2ddh h HIS 532 Cb 0.31 -0.20 -0.03 0.00 2.52 0.00 0.00 27.41 30.01 2ddh h HIS 532 CO 0.02 0.52 0.32 -0.92 0.71 0.00 0.00 177.93 178.57 2ddh h TYR 533 N 0.57 0.60 -0.63 5.26 3.20 -0.99 -1.47 116.97 123.50 2ddh h TYR 533 Ca 0.15 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 2ddh h TYR 533 Cb 0.12 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 2ddh h TYR 533 CO -0.01 0.34 0.38 0.28 -1.64 0.00 0.00 178.16 177.51 2ddh h VAL 534 N 0.63 1.18 -0.23 1.81 2.07 -0.82 0.47 116.25 121.36 2ddh h VAL 534 Ca 0.21 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2ddh h VAL 534 Cb 0.02 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2ddh h VAL 534 CO -0.09 0.19 0.12 0.58 0.02 0.00 0.00 177.57 178.39 2ddh h VAL 535 N 0.85 1.13 -0.24 2.57 2.07 -0.72 0.60 116.25 122.50 2ddh h VAL 535 Ca 0.23 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.41 2ddh h VAL 535 Cb -0.03 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2ddh h VAL 535 CO -0.04 0.12 0.09 0.58 0.02 0.00 0.00 177.57 178.34 2ddh h VAL 536 N 0.25 0.95 -0.43 2.57 2.07 -0.99 -0.55 116.25 120.14 2ddh h VAL 536 Ca 0.08 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2ddh h VAL 536 Cb 0.09 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2ddh h VAL 536 CO -0.01 0.04 0.22 0.50 0.02 0.00 0.00 177.57 178.33 2ddh h LYS 537 N 0.21 0.61 -0.74 1.57 3.64 -0.71 -0.07 116.57 121.07 2ddh h LYS 537 Ca 0.10 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 2ddh h LYS 537 Cb 0.06 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 2ddh h LYS 537 CO -0.10 0.51 0.23 0.28 -2.27 0.00 0.00 179.45 178.10 2ddh h VAL 538 N 0.55 1.26 -0.12 2.00 2.07 -0.67 0.17 116.25 121.51 2ddh h VAL 538 Ca 0.15 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 2ddh h VAL 538 Cb 0.09 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2ddh h VAL 538 CO -0.02 0.35 0.01 0.15 0.02 0.00 0.00 177.57 178.08 2ddh h PHE 539 N 1.09 0.21 -0.49 1.57 -0.00 -0.91 -2.33 116.94 116.07 2ddh h PHE 539 Ca 0.24 -0.03 0.01 0.00 -0.00 0.00 0.00 57.97 58.18 2ddh h PHE 539 Cb 0.30 -0.06 -0.03 0.00 -0.00 0.00 0.00 35.95 36.17 2ddh h PHE 539 CO 0.02 0.42 0.32 0.77 -0.00 0.00 0.00 178.31 179.85 2ddh h SER 540 N -0.05 0.56 0.25 0.41 0.02 -0.81 -2.48 113.55 111.44 2ddh h SER 540 Ca 0.03 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 2ddh h SER 540 Cb 0.33 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 2ddh h SER 540 CO 0.00 0.40 -0.12 0.44 -1.14 0.00 0.00 176.83 176.42 2ddh h ASP 541 N 0.66 0.00 0.49 3.07 3.45 -0.61 -2.93 116.42 120.56 2ddh h ASP 541 Ca 0.18 0.00 -0.17 0.00 0.43 0.00 0.00 57.03 57.47 2ddh h ASP 541 Cb -0.07 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.69 2ddh h ASP 541 CO -0.04 0.12 -0.75 0.50 -1.57 0.00 0.00 179.24 177.50 2ddh h LYS 542 N 0.00 0.21 -0.50 3.56 1.63 -0.94 -3.36 116.57 117.16 2ddh h LYS 542 Ca -0.00 -0.18 0.10 0.00 -0.85 0.00 0.00 60.65 59.72 2ddh h LYS 542 Cb 0.28 0.04 -0.10 0.00 -0.60 0.00 0.00 32.23 31.85 2ddh h LYS 542 CO 0.02 0.86 -0.16 -0.07 -3.45 0.00 0.00 179.45 176.65 2ddh h LEU 543 N 0.14 -0.57 -2.32 5.20 -0.00 -1.47 -1.57 115.31 114.72 2ddh h LEU 543 Ca -0.03 0.16 0.04 0.00 -0.00 0.00 0.00 57.88 58.05 2ddh h LEU 543 Cb 1.31 0.35 -0.00 0.00 -0.00 0.00 0.00 40.66 42.32 2ddh h LEU 543 CO 0.11 -0.20 0.17 -0.65 -0.00 0.00 0.00 178.44 177.87 2ddh h PRO 544 N -0.04 0.00 0.00 1.13 0.11 -1.76 -1.10 132.00 130.34 2ddh h PRO 544 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 2ddh h PRO 544 Cb 0.41 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.52 2ddh h PRO 544 CO -0.54 0.00 -0.10 1.63 -0.21 0.00 0.00 178.00 178.79 2ddh n LYS 545 N -3.65 0.14 -2.08 1.05 5.02 -0.59 -4.82 118.16 113.23 2ddh n LYS 545 Ca 0.00 0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.97 2ddh n LYS 545 Cb 0.27 -1.65 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 2ddh n LYS 545 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2ddh s ILE 546 N -3.06 3.67 0.01 -0.18 -1.09 -0.42 -4.94 121.20 115.19 2ddh s ILE 546 Ca 0.12 0.85 -0.25 0.00 -2.23 0.00 0.00 60.65 59.14 2ddh s ILE 546 Cb 0.15 -3.55 -0.16 0.00 -1.58 0.00 0.00 42.46 37.32 2ddh s ILE 546 CO 0.59 -0.07 1.18 1.56 -1.23 0.00 0.00 174.94 176.97 2ddh h GLN 547 N 9.12 -0.49 -6.39 2.79 1.08 -1.88 -3.44 115.11 115.90 2ddh h GLN 547 Ca -0.37 0.03 -0.54 0.00 -1.45 0.00 0.00 58.65 56.32 2ddh h GLN 547 Cb 1.17 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.70 2ddh h GLN 547 CO 0.95 -0.17 0.67 0.34 -0.95 0.00 0.00 178.83 179.67 2ddh s ASP 548 N -4.97 7.02 0.18 1.46 -1.08 -1.26 -4.95 116.67 113.06 2ddh s ASP 548 Ca -0.14 1.95 -0.11 0.00 -0.52 0.00 0.00 52.55 53.73 2ddh s ASP 548 Cb 0.02 -2.57 0.08 0.00 -1.46 0.00 0.00 42.92 38.99 2ddh s ASP 548 CO 0.51 -0.57 1.73 0.11 0.52 0.00 0.00 175.17 177.47 2ddh h LYS 549 N 7.27 0.93 -0.44 4.34 6.56 -1.99 -1.19 116.57 132.04 2ddh h LYS 549 Ca -0.38 -0.18 -0.05 0.00 -1.06 0.00 0.00 60.65 58.98 2ddh h LYS 549 Cb 1.18 -0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 32.68 2ddh h LYS 549 CO 0.86 0.80 0.06 0.00 -2.06 0.00 0.00 179.45 179.10 2ddh h ALA 550 N 1.09 1.29 -0.24 3.86 0.00 -1.92 -0.44 119.26 122.89 2ddh h ALA 550 Ca 0.20 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2ddh h ALA 550 Cb 0.23 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2ddh h ALA 550 CO -0.01 0.49 -0.19 0.28 0.00 0.00 0.00 179.25 179.82 2ddh h VAL 551 N 0.65 1.31 -0.57 0.00 2.07 -1.82 -2.67 116.25 115.22 2ddh h VAL 551 Ca 0.14 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 2ddh h VAL 551 Cb 0.32 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 2ddh h VAL 551 CO 0.01 0.41 0.34 -0.61 0.02 0.00 0.00 177.57 177.74 2ddh h GLN 552 N 0.25 0.77 -0.20 1.57 4.15 -0.83 -1.90 115.11 118.91 2ddh h GLN 552 Ca 0.04 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.41 2ddh h GLN 552 Cb 0.72 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 2ddh h GLN 552 CO 0.05 0.56 0.08 0.00 -1.93 0.00 0.00 178.83 177.59 2ddh h ALA 553 N 1.17 0.23 -0.46 3.38 0.00 -1.06 0.56 119.26 123.09 2ddh h ALA 553 Ca 0.20 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2ddh h ALA 553 Cb -0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2ddh h ALA 553 CO -0.04 -0.35 0.03 -0.39 0.00 0.00 0.00 179.25 178.50 2ddh h VAL 554 N 0.18 1.26 0.00 0.00 -1.51 -1.32 -2.40 116.25 112.45 2ddh h VAL 554 Ca 0.09 -1.00 -0.02 0.00 -1.23 0.00 0.00 66.70 64.54 2ddh h VAL 554 Cb 0.05 1.01 -0.00 0.00 -2.13 0.00 0.00 31.29 30.22 2ddh h VAL 554 CO -0.08 0.35 -0.08 -0.07 -1.23 0.00 0.00 177.57 176.46 2ddh h LEU 555 N 0.64 0.00 -0.29 4.19 3.38 -1.17 -1.72 115.31 120.34 2ddh h LEU 555 Ca 0.13 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.90 2ddh h LEU 555 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2ddh h LEU 555 CO 0.02 0.08 -0.67 -0.09 0.09 0.00 0.00 178.44 177.86 2ddh h ARG 556 N 0.00 0.74 -0.54 1.13 2.43 -0.45 -1.43 114.38 116.26 2ddh h ARG 556 Ca -0.00 -0.54 -0.05 0.00 -0.81 0.00 0.00 59.98 58.58 2ddh h ARG 556 Cb 0.45 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2ddh h ARG 556 CO 0.01 1.16 0.13 -0.91 -1.51 0.00 0.00 179.97 178.85 2ddh h ASN 557 N 0.53 0.78 -0.31 -3.80 -0.26 -0.85 0.65 115.58 112.31 2ddh h ASN 557 Ca -0.02 -0.14 -0.13 0.00 -0.56 0.00 0.00 56.30 55.45 2ddh h ASN 557 Cb 1.28 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 38.33 2ddh h ASN 557 CO 0.14 0.76 -0.29 -0.07 -1.06 0.00 0.00 177.43 176.91 2ddh h LEU 558 N 0.80 0.80 -0.51 1.61 3.38 -1.32 -0.18 115.31 119.90 2ddh h LEU 558 Ca 0.18 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2ddh h LEU 558 Cb 0.30 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2ddh h LEU 558 CO -0.00 1.10 0.25 0.00 0.09 0.00 0.00 178.44 179.88 2ddh h LEU 560 N 0.68 0.66 -0.29 0.00 3.38 -0.77 -1.38 115.31 117.58 2ddh h LEU 560 Ca 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2ddh h LEU 560 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2ddh h LEU 560 CO -0.02 0.58 0.14 0.25 0.09 0.00 0.00 178.44 179.48 2ddh h LEU 561 N 0.68 0.38 -0.48 1.67 5.85 -0.66 -0.31 115.31 122.45 2ddh h LEU 561 Ca 0.18 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2ddh h LEU 561 Cb 0.09 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2ddh h LEU 561 CO -0.03 0.40 0.28 0.22 -0.34 0.00 0.00 178.44 178.97 2ddh h TYR 562 N 0.33 0.53 0.40 1.25 3.20 -0.57 0.21 116.97 122.32 2ddh h TYR 562 Ca 0.10 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 2ddh h TYR 562 Cb 0.12 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.22 2ddh h TYR 562 CO -0.02 0.31 -0.19 0.77 -1.64 0.00 0.00 178.16 177.39 2ddh h SER 563 N 0.57 -0.46 -0.76 -2.11 0.02 -1.09 -1.81 113.55 107.91 2ddh h SER 563 Ca 0.19 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2ddh h SER 563 Cb 0.01 0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 2ddh h SER 563 CO -0.08 -0.16 0.50 -0.07 -1.14 0.00 0.00 176.83 175.88 2ddh h LEU 564 N -0.76 0.88 -0.50 5.07 3.38 -1.01 -2.46 115.31 119.92 2ddh h LEU 564 Ca -0.05 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.92 2ddh h LEU 564 Cb 0.52 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 2ddh h LEU 564 CO 0.09 0.64 0.27 0.22 0.09 0.00 0.00 178.44 179.75 2ddh h TYR 565 N 1.04 0.51 -0.34 1.13 5.03 -0.55 -0.63 116.97 123.16 2ddh h TYR 565 Ca 0.28 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.59 2ddh h TYR 565 Cb -0.12 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 37.99 2ddh h TYR 565 CO -0.02 0.27 0.15 0.78 -1.32 0.00 0.00 178.16 178.02 2ddh h GLY 566 N 0.54 0.50 0.94 1.82 0.00 -0.92 -0.57 103.07 105.39 2ddh h GLY 566 Ca 0.21 -0.22 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 2ddh h GLY 566 CO -0.12 0.21 -0.34 -2.22 0.00 0.00 0.00 176.54 174.06 2ddh h ILE 567 N 0.47 1.32 -0.44 2.60 2.04 -0.88 -2.68 117.51 119.94 2ddh h ILE 567 Ca 0.12 -1.55 -0.03 0.00 1.00 0.00 0.00 64.86 64.40 2ddh h ILE 567 Cb 0.07 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2ddh h ILE 567 CO -0.02 0.48 0.15 -1.28 0.00 0.00 0.00 178.15 177.49 2ddh h SER 568 N 0.35 0.62 0.15 1.72 0.87 -0.73 0.14 113.55 116.67 2ddh h SER 568 Ca 0.02 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 2ddh h SER 568 Cb 0.93 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.72 2ddh h SER 568 CO 0.08 0.64 -0.13 1.56 -0.53 0.00 0.00 176.83 178.45 2ddh h GLN 569 N 0.56 0.00 -0.62 2.24 1.08 -1.11 -3.04 115.11 114.23 2ddh h GLN 569 Ca 0.14 0.00 -0.43 0.00 -1.45 0.00 0.00 58.65 56.91 2ddh h GLN 569 Cb 0.23 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 27.25 2ddh h GLN 569 CO -0.01 0.13 -0.91 1.63 -0.95 0.00 0.00 178.83 178.72 2ddh n LYS 570 N -4.28 2.91 -0.34 1.46 4.76 -1.02 -4.90 118.16 116.76 2ddh n LYS 570 Ca -0.03 -3.91 0.22 0.00 -2.87 0.00 0.00 58.31 51.73 2ddh n LYS 570 Cb 0.21 -2.02 0.46 0.00 -1.84 0.00 0.00 35.03 31.84 2ddh n LYS 570 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2ddh h GLY 571 N 2.28 1.89 0.79 0.72 0.00 -0.60 -0.39 103.07 107.76 2ddh h GLY 571 Ca 0.19 -0.26 0.13 0.00 0.00 0.00 0.00 47.33 47.39 2ddh h GLY 571 CO 0.54 -0.36 0.48 -1.33 0.00 0.00 0.00 176.54 175.87 2ddh h GLY 572 N 0.41 0.68 0.94 4.60 0.00 -1.89 -1.16 103.07 106.65 2ddh h GLY 572 Ca 0.69 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.81 2ddh h GLY 572 CO -0.52 0.08 0.12 -0.55 0.00 0.00 0.00 176.54 175.67 2ddh h ASP 573 N 0.43 0.62 0.34 0.19 3.32 -1.44 -0.51 116.42 119.37 2ddh h ASP 573 Ca 0.34 -0.21 -0.19 0.00 0.02 0.00 0.00 57.03 56.99 2ddh h ASP 573 Cb 0.75 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 2ddh h ASP 573 CO -0.11 0.67 -0.78 -0.26 -1.72 0.00 0.00 179.24 177.05 2ddh h PHE 574 N 0.54 0.48 -0.07 4.55 -1.00 -1.43 -3.04 116.94 116.97 2ddh h PHE 574 Ca 0.13 -0.23 -0.15 0.00 2.81 0.00 0.00 57.97 60.54 2ddh h PHE 574 Cb 0.28 -0.07 0.01 0.00 3.61 0.00 0.00 35.95 39.78 2ddh h PHE 574 CO 0.01 0.99 -0.54 -0.07 -1.61 0.00 0.00 178.31 177.09 2ddh h LEU 575 N 0.23 0.59 -1.43 1.54 4.07 -1.20 0.88 115.31 119.99 2ddh h LEU 575 Ca -0.04 -0.68 0.06 0.00 0.08 0.00 0.00 57.88 57.30 2ddh h LEU 575 Cb 1.36 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 42.88 2ddh h LEU 575 CO 0.13 1.19 0.45 -0.08 -1.08 0.00 0.00 178.44 179.04 2ddh h GLU 576 N 0.05 0.67 -0.41 1.13 4.22 -1.16 -0.71 114.58 118.37 2ddh h GLU 576 Ca -0.05 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.35 2ddh h GLU 576 Cb 1.21 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2ddh h GLU 576 CO 0.11 0.44 0.00 0.41 -2.18 0.00 0.00 179.01 177.79 2ddh n GLY 577 N -1.46 0.88 2.43 1.92 0.00 -1.15 -4.90 105.19 102.91 2ddh n GLY 577 Ca 0.10 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 2ddh n GLY 577 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ddh n SER 578 N 0.57 -5.02 0.11 1.61 7.64 -0.27 -4.86 113.62 113.39 2ddh n SER 578 Ca 0.13 0.07 -0.16 0.00 1.01 0.00 0.00 58.87 59.92 2ddh n SER 578 Cb 0.35 -4.21 -0.13 0.00 -1.01 0.00 0.00 64.21 59.20 2ddh n SER 578 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2ddh h ILE 579 N -0.01 1.48 -3.97 0.44 2.04 -1.04 -3.47 117.51 112.98 2ddh h ILE 579 Ca -0.41 -3.00 -0.13 0.00 1.00 0.00 0.00 64.86 62.32 2ddh h ILE 579 Cb 1.30 2.92 -0.17 0.00 -0.74 0.00 0.00 36.82 40.13 2ddh h ILE 579 CO 0.48 0.88 -0.60 0.27 0.00 0.00 0.00 178.15 179.18 2ddh s ILE 580 N -2.69 0.16 0.57 -0.67 -4.36 -1.15 -4.32 121.20 108.73 2ddh s ILE 580 Ca -0.04 -1.29 -0.03 0.00 -0.26 0.00 0.00 60.65 59.03 2ddh s ILE 580 Cb 0.07 -0.99 0.02 0.00 1.25 0.00 0.00 42.46 42.81 2ddh s ILE 580 CO 0.89 -0.71 0.84 0.42 0.24 0.00 0.00 174.94 176.62 2ddh s THR 581 N -2.87 3.23 0.42 8.37 -4.23 -1.26 -4.35 115.64 114.95 2ddh s THR 581 Ca -0.03 -0.33 0.09 0.00 -1.18 0.00 0.00 61.69 60.24 2ddh s THR 581 Cb 0.00 -3.26 0.24 0.00 1.34 0.00 0.00 72.50 70.83 2ddh s THR 581 CO -0.06 -0.23 2.04 1.23 -0.54 0.00 0.00 174.62 177.06 2ddh h GLY 582 N -0.06 0.45 1.00 3.99 0.00 -1.99 -1.81 103.07 104.65 2ddh h GLY 582 Ca -0.45 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 46.65 2ddh h GLY 582 CO 0.58 0.18 0.18 0.00 0.00 0.00 0.00 176.54 177.48 2ddh h ALA 583 N 1.75 0.78 -0.41 3.60 0.00 -2.00 -2.34 119.26 120.64 2ddh h ALA 583 Ca 0.11 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2ddh h ALA 583 Cb 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2ddh h ALA 583 CO -0.02 0.45 -0.10 1.96 0.00 0.00 0.00 179.25 181.54 2ddh h GLN 584 N 0.84 0.71 -0.55 0.00 4.20 -1.73 -2.07 115.11 116.52 2ddh h GLN 584 Ca 0.19 -0.23 0.01 0.00 0.06 0.00 0.00 58.65 58.69 2ddh h GLN 584 Cb 0.29 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 2ddh h GLN 584 CO -0.01 0.80 0.35 1.25 -0.67 0.00 0.00 178.83 180.55 2ddh h LEU 585 N 0.65 0.60 -1.11 1.46 5.85 -0.96 0.28 115.31 122.07 2ddh h LEU 585 Ca 0.11 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 2ddh h LEU 585 Cb 0.55 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2ddh h LEU 585 CO 0.03 0.43 0.02 0.77 -0.34 0.00 0.00 178.44 179.35 2ddh h SER 586 N 0.71 0.61 -0.56 1.25 4.64 -1.21 -0.94 113.55 118.05 2ddh h SER 586 Ca 0.21 -0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.35 2ddh h SER 586 Cb -0.05 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 2ddh h SER 586 CO -0.06 0.67 0.13 1.56 -0.87 0.00 0.00 176.83 178.25 2ddh h GLN 587 N 0.61 0.91 -0.36 4.77 4.20 -0.55 -0.79 115.11 123.91 2ddh h GLN 587 Ca 0.13 -0.22 0.04 0.00 0.06 0.00 0.00 58.65 58.66 2ddh h GLN 587 Cb 0.36 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 2ddh h GLN 587 CO 0.01 0.85 0.12 0.28 -0.67 0.00 0.00 178.83 179.43 2ddh h VAL 588 N 0.81 0.89 -0.77 -0.54 2.07 0.38 0.22 116.25 119.31 2ddh h VAL 588 Ca 0.18 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.56 2ddh h VAL 588 Cb 0.36 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2ddh h VAL 588 CO 0.00 0.05 0.33 0.78 0.02 0.00 0.00 177.57 178.76 2ddh h ASN 589 N 0.27 1.04 -0.47 0.57 2.35 -0.84 -0.89 115.58 117.62 2ddh h ASN 589 Ca 0.16 -0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.66 2ddh h ASN 589 Cb 0.14 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2ddh h ASN 589 CO -0.17 0.91 -0.14 0.00 -1.65 0.00 0.00 177.43 176.38 2ddh h ALA 590 N 1.25 0.65 -0.26 -0.83 0.00 -0.58 -2.97 119.26 116.51 2ddh h ALA 590 Ca 0.26 -0.35 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2ddh h ALA 590 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2ddh h ALA 590 CO -0.03 0.57 -0.12 -0.09 0.00 0.00 0.00 179.25 179.58 2ddh h ARG 591 N 0.76 0.43 -0.66 0.00 9.65 -0.16 -2.41 114.38 121.99 2ddh h ARG 591 Ca 0.11 -0.12 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2ddh h ARG 591 Cb 0.70 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.19 2ddh h ARG 591 CO 0.05 0.55 0.36 0.82 2.80 0.00 0.00 179.97 184.55 2ddh h ILE 592 N 0.40 1.21 -0.54 1.20 2.04 -1.02 -1.18 117.51 119.62 2ddh h ILE 592 Ca 0.08 -0.55 -0.10 0.00 1.00 0.00 0.00 64.86 65.29 2ddh h ILE 592 Cb 0.45 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 2ddh h ILE 592 CO 0.03 0.24 -0.05 -0.07 0.00 0.00 0.00 178.15 178.29 2ddh h LEU 593 N 0.91 0.95 -0.76 1.44 3.38 -1.37 -2.37 115.31 117.50 2ddh h LEU 593 Ca 0.23 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2ddh h LEU 593 Cb 0.06 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2ddh h LEU 593 CO -0.04 1.03 0.14 -0.33 0.09 0.00 0.00 178.44 179.34 2ddh h GLU 594 N 0.87 1.09 0.00 1.13 5.08 -1.15 -2.51 114.58 119.09 2ddh h GLU 594 Ca 0.15 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2ddh h GLU 594 Cb 0.59 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2ddh h GLU 594 CO 0.04 0.97 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.72 2ddh h LEU 595 N 1.03 0.00 -0.28 1.33 3.38 -0.93 -2.55 115.31 117.29 2ddh h LEU 595 Ca 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2ddh h LEU 595 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2ddh h LEU 595 CO 0.01 0.23 0.11 -0.07 0.09 0.00 0.00 178.44 178.81 2ddh h LEU 596 N 0.00 0.38 -0.95 1.67 3.38 -0.97 0.68 115.31 119.50 2ddh h LEU 596 Ca -0.00 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 2ddh h LEU 596 Cb 0.42 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2ddh h LEU 596 CO 0.03 0.43 -0.22 0.71 0.09 0.00 0.00 178.44 179.48 2ddh h THR 597 N 0.30 1.26 0.00 0.22 1.35 -1.49 0.97 112.91 115.52 2ddh h THR 597 Ca 0.09 -1.22 -0.07 0.00 -0.55 0.00 0.00 66.41 64.66 2ddh h THR 597 Cb 0.17 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 2ddh h THR 597 CO -0.01 0.39 -0.34 -0.07 -0.25 0.00 0.00 175.52 175.24 2ddh h LEU 598 N 0.45 0.00 0.04 3.87 3.38 -1.12 -3.11 115.31 118.82 2ddh h LEU 598 Ca 0.07 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.74 2ddh h LEU 598 Cb 0.63 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 2ddh h LEU 598 CO 0.05 0.34 -1.65 0.40 0.09 0.00 0.00 178.44 177.67 2ddh h ILE 599 N 0.00 0.95 -0.93 1.22 2.04 -0.35 -3.40 117.51 117.05 2ddh h ILE 599 Ca -0.00 -2.73 0.15 0.00 1.00 0.00 0.00 64.86 63.28 2ddh h ILE 599 Cb 0.79 2.54 -0.16 0.00 -0.74 0.00 0.00 36.82 39.25 2ddh h ILE 599 CO 0.04 0.67 -0.33 -1.14 0.00 0.00 0.00 178.15 177.39 2ddh n ARG 600 N -3.23 -0.19 0.27 2.37 3.00 0.29 -0.45 116.66 118.73 2ddh n ARG 600 Ca -0.18 1.44 0.18 0.00 -0.00 0.00 0.00 57.85 59.30 2ddh n ARG 600 Cb 1.04 -2.14 0.90 0.00 0.00 0.00 0.00 32.46 32.25 2ddh n ARG 600 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 2ddh h PRO 601 N 0.00 0.00 -0.01 -0.14 0.11 -1.77 -1.91 132.00 128.28 2ddh h PRO 601 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 2ddh h PRO 601 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 2ddh h PRO 601 CO -0.94 0.00 -0.24 0.09 -0.21 0.00 0.00 178.00 176.71 2ddh n ASN 602 N -3.26 1.37 -0.18 -2.05 3.02 0.41 -3.06 115.26 111.51 2ddh n ASN 602 Ca -0.00 -1.18 -0.11 0.00 -0.03 0.00 0.00 54.58 53.26 2ddh n ASN 602 Cb 0.33 0.45 -0.06 0.00 -0.61 0.00 0.00 39.78 39.89 2ddh n ASN 602 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ddh h ALA 603 N 2.08 -0.51 -0.56 5.41 0.00 -0.65 0.95 119.26 125.98 2ddh h ALA 603 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2ddh h ALA 603 Cb 0.41 1.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 2ddh h ALA 603 CO 0.00 -0.92 0.02 0.28 0.00 0.00 0.00 179.25 178.63 2ddh h VAL 604 N -0.29 1.26 -0.32 0.00 2.07 -1.86 -2.78 116.25 114.33 2ddh h VAL 604 Ca 0.14 -1.09 -0.07 0.00 0.82 0.00 0.00 66.70 66.50 2ddh h VAL 604 Cb 0.57 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 2ddh h VAL 604 CO -0.65 0.39 -0.09 0.00 0.02 0.00 0.00 177.57 177.24 2ddh h ALA 605 N 0.97 1.26 0.00 1.67 0.00 -1.76 -1.03 119.26 120.37 2ddh h ALA 605 Ca 0.16 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2ddh h ALA 605 Cb 0.52 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2ddh h ALA 605 CO 0.03 0.49 -0.24 -0.07 0.00 0.00 0.00 179.25 179.46 2ddh h LEU 606 N 0.49 0.00 0.03 0.00 3.38 -0.56 -1.26 115.31 117.40 2ddh h LEU 606 Ca 0.09 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.78 2ddh h LEU 606 Cb 0.45 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2ddh h LEU 606 CO 0.02 0.24 -1.58 -0.37 0.09 0.00 0.00 178.44 176.84 2ddh h VAL 607 N 0.00 1.03 -0.64 1.22 -1.51 -1.23 -3.29 116.25 111.82 2ddh h VAL 607 Ca -0.00 -2.81 0.03 0.00 -1.23 0.00 0.00 66.70 62.69 2ddh h VAL 607 Cb 0.44 2.56 -0.04 0.00 -2.13 0.00 0.00 31.29 32.12 2ddh h VAL 607 CO 0.03 0.66 0.42 0.44 -1.23 0.00 0.00 177.57 177.90 2ddh h ASP 608 N 0.02 0.66 -0.30 4.19 3.45 -0.85 -1.72 116.42 121.87 2ddh h ASP 608 Ca -0.24 -0.01 0.09 0.00 0.43 0.00 0.00 57.03 57.29 2ddh h ASP 608 Cb 1.97 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 40.58 2ddh h ASP 608 CO 0.10 0.46 0.29 0.00 -1.57 0.00 0.00 179.24 178.52 2ddh h ALA 609 N 1.62 2.03 0.00 3.45 0.00 -1.31 0.19 119.26 125.25 2ddh h ALA 609 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2ddh h ALA 609 Cb 0.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2ddh h ALA 609 CO -0.07 -0.44 0.00 0.74 0.00 0.00 0.00 179.25 179.48 2ddh h PHE 610 N 0.00 0.00 -3.81 0.00 0.05 -1.47 -3.32 116.94 108.38 2ddh h PHE 610 Ca 0.14 0.00 -0.41 0.00 3.82 0.00 0.00 57.97 61.52 2ddh h PHE 610 Cb 0.71 0.00 0.03 0.00 2.00 0.00 0.00 35.95 38.69 2ddh h PHE 610 CO 0.00 0.00 -0.58 -3.47 -0.18 0.00 0.00 178.31 174.08 2ddh n ASP 611 N -3.08 -6.08 -4.75 2.17 4.64 0.66 -4.97 116.55 105.15 2ddh n ASP 611 Ca -0.01 -0.17 -0.41 0.00 -1.38 0.00 0.00 54.79 52.83 2ddh n ASP 611 Cb 0.22 -4.98 -0.04 0.00 -1.04 0.00 0.00 41.12 35.28 2ddh n ASP 611 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 2ddh s PHE 612 N -3.13 3.52 0.57 -0.67 2.99 -1.26 -5.02 117.98 114.98 2ddh s PHE 612 Ca 0.17 1.57 -0.13 0.00 0.00 0.00 0.00 56.93 58.54 2ddh s PHE 612 Cb -0.07 -3.34 -0.05 0.00 0.00 0.00 0.00 43.02 39.55 2ddh s PHE 612 CO 0.21 -0.81 0.99 0.15 -0.00 0.00 0.00 175.22 175.76 2ddh s LYS 613 N -0.70 3.73 0.21 0.44 -0.14 -1.26 -4.91 119.74 117.10 2ddh s LYS 613 Ca 0.49 0.78 -0.10 0.00 -1.36 0.00 0.00 55.97 55.78 2ddh s LYS 613 Cb -0.31 -2.13 0.21 0.00 -1.68 0.00 0.00 37.83 33.92 2ddh s LYS 613 CO 0.38 -0.42 1.82 -0.44 -0.76 0.00 0.00 175.35 175.92 2ddh h ASP 614 N 0.21 0.59 -0.08 2.83 3.45 -1.95 -1.27 116.42 120.20 2ddh h ASP 614 Ca -0.45 0.02 0.02 0.00 0.43 0.00 0.00 57.03 57.04 2ddh h ASP 614 Cb 1.19 -0.10 -0.00 0.00 -0.56 0.00 0.00 39.33 39.86 2ddh h ASP 614 CO 0.62 0.39 0.05 -0.03 -1.57 0.00 0.00 179.24 178.70 2ddh h MET 615 N 0.72 0.03 0.00 3.56 4.05 -1.96 0.81 114.93 122.15 2ddh h MET 615 Ca 0.29 -0.00 -0.24 0.00 -0.28 0.00 0.00 59.70 59.46 2ddh h MET 615 Cb 0.13 -0.01 0.01 0.00 -0.80 0.00 0.00 31.60 30.93 2ddh h MET 615 CO -0.15 0.02 -0.99 1.15 0.23 0.00 0.00 176.91 177.16 2ddh h THR 616 N 0.03 1.35 -0.01 -0.77 2.02 -1.57 -3.19 112.91 110.77 2ddh h THR 616 Ca 0.03 -2.38 -0.17 0.00 0.77 0.00 0.00 66.41 64.67 2ddh h THR 616 Cb 0.09 2.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 2ddh h THR 616 CO -0.00 0.72 -0.78 -0.07 0.37 0.00 0.00 175.52 175.76 2ddh h LEU 617 N 0.30 0.14 -0.33 2.58 3.38 -0.73 -3.45 115.31 117.20 2ddh h LEU 617 Ca -0.10 -0.10 -0.42 0.00 0.09 0.00 0.00 57.88 57.34 2ddh h LEU 617 Cb 1.64 -0.04 0.06 0.00 0.09 0.00 0.00 40.66 42.40 2ddh h LEU 617 CO 0.18 0.86 -0.67 0.61 0.09 0.00 0.00 178.44 179.51 2ddh n GLY 618 N 0.67 -0.53 2.99 0.83 0.00 0.21 -4.70 105.19 104.66 2ddh n GLY 618 Ca -0.02 0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 2ddh n GLY 618 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ddh s SER 619 N -3.12 1.43 0.06 1.61 0.15 -1.26 -3.78 113.70 108.79 2ddh s SER 619 Ca 0.53 -0.23 -0.10 0.00 0.70 0.00 0.00 55.95 56.85 2ddh s SER 619 Cb -0.25 -0.61 -0.30 0.00 -1.71 0.00 0.00 66.02 63.16 2ddh s SER 619 CO 0.65 0.02 1.10 0.58 1.20 0.00 0.00 173.24 176.79 2ddh h VAL 620 N 5.88 1.38 -0.10 4.45 2.07 -0.44 -3.07 116.25 126.43 2ddh h VAL 620 Ca -0.34 -2.80 -0.09 0.00 0.82 0.00 0.00 66.70 64.29 2ddh h VAL 620 Cb 1.17 2.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.84 2ddh h VAL 620 CO 0.48 0.83 -0.36 -0.07 0.02 0.00 0.00 177.57 178.47 2ddh h LEU 621 N 0.14 0.20 -2.84 2.57 3.38 -1.82 -3.12 115.31 113.82 2ddh h LEU 621 Ca -0.18 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2ddh h LEU 621 Cb 2.01 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.70 2ddh h LEU 621 CO 0.23 0.56 0.00 0.61 0.09 0.00 0.00 178.44 179.93 2ddh n GLY 622 N -0.33 2.49 3.53 0.83 0.00 -1.24 -3.95 105.19 106.53 2ddh n GLY 622 Ca -0.01 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 2ddh n GLY 622 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ddh n ARG 623 N 1.34 0.93 -0.34 1.61 1.74 -1.16 -4.81 116.66 115.97 2ddh n ARG 623 Ca 0.25 0.34 -0.04 0.00 -0.77 0.00 0.00 57.85 57.63 2ddh n ARG 623 Cb 0.75 -1.77 0.09 0.00 -1.02 0.00 0.00 32.46 30.51 2ddh n ARG 623 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2ddh h TYR 624 N 1.15 1.25 0.00 -1.55 3.20 -1.93 -2.69 116.97 116.39 2ddh h TYR 624 Ca -0.42 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2ddh h TYR 624 Cb 1.37 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 39.24 2ddh h TYR 624 CO 0.40 0.85 0.00 -0.40 -1.64 0.00 0.00 178.16 177.37 2ddh n ASP 625 N -4.34 0.00 0.00 -2.11 5.68 -1.26 -4.91 116.55 109.62 2ddh n ASP 625 Ca 0.10 0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 2ddh n ASP 625 Cb 0.08 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.72 2ddh n ASP 625 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ddh n GLY 626 N 0.99 0.59 3.29 6.12 0.00 -1.01 -0.29 105.19 114.87 2ddh n GLY 626 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2ddh n GLY 626 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ddh n ASN 627 N -0.02 4.26 0.05 1.61 5.03 -1.26 -4.72 115.26 120.21 2ddh n ASN 627 Ca 0.00 -2.86 -0.03 0.00 0.87 0.00 0.00 54.58 52.57 2ddh n ASN 627 Cb 0.01 -1.68 -0.01 0.00 -1.02 0.00 0.00 39.78 37.08 2ddh n ASN 627 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 2ddh h VAL 628 N 5.09 0.00 -0.49 2.41 2.07 -1.91 -3.35 116.25 120.06 2ddh h VAL 628 Ca 0.46 -0.50 0.09 0.00 0.82 0.00 0.00 66.70 67.58 2ddh h VAL 628 Cb 0.79 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.48 2ddh h VAL 628 CO 1.60 0.00 0.01 1.88 0.02 0.00 0.00 177.57 181.08 2ddh h TYR 629 N -0.68 -0.01 -0.48 1.57 0.99 -1.91 0.21 116.97 116.66 2ddh h TYR 629 Ca -0.02 0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 2ddh h TYR 629 Cb 0.14 0.08 -0.02 0.00 1.00 0.00 0.00 36.73 37.93 2ddh h TYR 629 CO 0.02 -0.10 0.25 0.93 -0.00 0.00 0.00 178.16 179.26 2ddh h GLU 630 N 0.13 0.67 0.00 4.88 4.39 -1.98 -1.63 114.58 121.04 2ddh h GLU 630 Ca 0.25 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.78 2ddh h GLU 630 Cb 0.37 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2ddh h GLU 630 CO -0.40 0.54 -0.42 -0.91 -1.16 0.00 0.00 179.01 176.66 2ddh h ASN 631 N 0.63 0.00 -0.28 1.42 2.35 -1.57 -2.46 115.58 115.68 2ddh h ASN 631 Ca 0.17 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.82 2ddh h ASN 631 Cb 0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 2ddh h ASN 631 CO -0.03 0.42 -0.21 0.25 -1.65 0.00 0.00 177.43 176.21 2ddh h LEU 632 N 0.00 0.67 -0.44 1.61 5.85 -0.17 -1.12 115.31 121.71 2ddh h LEU 632 Ca -0.00 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.28 2ddh h LEU 632 Cb 0.76 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 2ddh h LEU 632 CO 0.05 0.97 0.28 0.15 -0.34 0.00 0.00 178.44 179.56 2ddh h PHE 633 N 0.37 0.53 -0.28 1.25 -0.00 -1.11 -1.63 116.94 116.07 2ddh h PHE 633 Ca 0.05 0.01 -0.01 0.00 -0.00 0.00 0.00 57.97 58.02 2ddh h PHE 633 Cb 0.76 -0.18 -0.01 0.00 -0.00 0.00 0.00 35.95 36.52 2ddh h PHE 633 CO 0.07 0.32 0.13 0.93 -0.00 0.00 0.00 178.31 179.76 2ddh h GLU 634 N 0.57 0.40 -0.39 1.11 4.39 -1.40 -1.97 114.58 117.30 2ddh h GLU 634 Ca 0.17 -0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.88 2ddh h GLU 634 Cb -0.04 -0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 28.46 2ddh h GLU 634 CO -0.05 0.39 -0.11 2.35 -1.16 0.00 0.00 179.01 180.43 2ddh h TRP 635 N 0.32 -0.25 -0.52 4.33 7.01 -0.92 -0.50 115.95 125.42 2ddh h TRP 635 Ca 0.10 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.15 2ddh h TRP 635 Cb 0.13 0.17 -0.03 0.00 -2.10 0.00 0.00 29.16 27.32 2ddh h TRP 635 CO -0.02 -0.19 0.32 0.00 -2.79 0.00 0.00 178.44 175.77 2ddh h ALA 636 N 1.36 0.66 0.00 2.65 0.00 -1.10 -1.91 119.26 120.92 2ddh h ALA 636 Ca 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2ddh h ALA 636 Cb 0.31 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2ddh h ALA 636 CO -0.41 0.04 -0.12 0.87 0.00 0.00 0.00 179.25 179.63 2ddh h LYS 637 N 0.64 0.00 0.00 0.00 1.57 -0.59 -2.04 116.57 116.15 2ddh h LYS 637 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2ddh h LYS 637 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2ddh h LYS 637 CO -0.08 0.12 -0.30 1.63 -0.57 0.00 0.00 179.45 180.25 2ddh n LYS 638 N -3.56 0.19 -1.98 3.15 5.02 -0.27 -4.80 118.16 115.90 2ddh n LYS 638 Ca -0.02 0.10 -0.35 0.00 -2.02 0.00 0.00 58.31 56.02 2ddh n LYS 638 Cb 0.26 -1.66 0.03 0.00 -0.02 0.00 0.00 35.03 33.64 2ddh n LYS 638 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2ddh s SER 639 N -3.93 5.21 0.26 4.39 1.04 -0.77 -4.95 113.70 114.95 2ddh s SER 639 Ca 0.10 2.29 -0.10 0.00 0.48 0.00 0.00 55.95 58.71 2ddh s SER 639 Cb 0.15 -2.59 0.40 0.00 0.10 0.00 0.00 66.02 64.08 2ddh s SER 639 CO 0.65 -1.57 1.57 -0.65 0.98 0.00 0.00 173.24 174.21 2ddh h PRO 640 N 0.74 -0.00 0.00 4.02 0.11 -1.88 -1.68 132.00 133.30 2ddh h PRO 640 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2ddh h PRO 640 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2ddh h PRO 640 CO 0.55 -0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.62 2ddh n LEU 641 N -5.58 0.22 -1.72 2.35 4.77 -1.26 -1.63 117.00 114.15 2ddh n LEU 641 Ca 0.14 0.57 0.08 0.00 -0.03 0.00 0.00 56.01 56.77 2ddh n LEU 641 Cb 0.46 -0.55 0.38 0.00 -2.33 0.00 0.00 43.42 41.38 2ddh n LEU 641 CO -0.09 -0.45 0.84 0.59 -1.33 0.00 0.00 177.39 176.95 2ddh n ASN 642 N -1.76 5.27 -0.06 -1.43 3.02 -0.63 -4.28 115.26 115.39 2ddh n ASN 642 Ca 0.02 -2.76 0.01 0.00 -0.03 0.00 0.00 54.58 51.82 2ddh n ASN 642 Cb 0.14 -0.64 0.32 0.00 -0.61 0.00 0.00 39.78 38.99 2ddh n ASN 642 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2ddh h LYS 643 N 3.89 0.67 -4.82 3.52 1.63 -1.42 -3.43 116.57 116.62 2ddh h LYS 643 Ca 0.00 -0.08 -0.30 0.00 -0.85 0.00 0.00 60.65 59.42 2ddh h LYS 643 Cb 1.75 -0.13 -0.19 0.00 -0.60 0.00 0.00 32.23 33.07 2ddh h LYS 643 CO 0.38 0.53 -0.73 0.95 -3.45 0.00 0.00 179.45 177.13 2ddh s THR 644 N -5.38 0.79 0.27 1.00 -4.23 -1.26 -5.05 115.64 101.78 2ddh s THR 644 Ca -0.09 -1.50 0.05 0.00 -1.18 0.00 0.00 61.69 58.98 2ddh s THR 644 Cb 0.17 -1.17 0.01 0.00 1.34 0.00 0.00 72.50 72.85 2ddh s THR 644 CO 0.76 -0.53 1.65 -0.33 -0.54 0.00 0.00 174.62 175.63 2ddh h GLU 645 N 3.80 0.27 -5.33 3.99 4.39 -1.88 -3.42 114.58 116.39 2ddh h GLU 645 Ca -0.37 -0.14 -0.66 0.00 0.34 0.00 0.00 59.36 58.53 2ddh h GLU 645 Cb 1.19 0.01 -0.27 0.00 -0.10 0.00 0.00 28.75 29.57 2ddh h GLU 645 CO 0.50 0.68 -0.78 0.08 -1.16 0.00 0.00 179.01 178.33 2ddh s VAL 646 N -4.05 2.93 0.29 3.13 1.01 -1.26 -5.09 120.40 117.37 2ddh s VAL 646 Ca -0.05 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 60.98 2ddh s VAL 646 Cb 0.13 -2.22 -0.09 0.00 0.00 0.00 0.00 36.38 34.19 2ddh s VAL 646 CO 0.78 0.53 0.90 -2.28 0.00 0.00 0.00 175.10 175.03 2ddh s HIS 647 N 0.33 3.72 0.39 5.22 2.46 -1.26 -4.94 115.29 121.21 2ddh s HIS 647 Ca -0.12 1.71 0.16 0.00 0.47 0.00 0.00 55.06 57.29 2ddh s HIS 647 Cb -0.16 -2.86 1.04 0.00 -0.13 0.00 0.00 32.58 30.47 2ddh s HIS 647 CO 0.06 0.27 1.80 0.93 -2.47 0.00 0.00 174.74 175.33 2ddh h GLU 648 N 3.34 0.44 -0.04 2.88 3.07 -1.99 0.56 114.58 122.84 2ddh h GLU 648 Ca -0.47 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.38 2ddh h GLU 648 Cb 1.19 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 29.00 2ddh h GLU 648 CO 0.65 0.29 0.06 0.66 -1.40 0.00 0.00 179.01 179.28 2ddh h SER 649 N 0.45 0.00 0.21 1.42 4.64 -1.99 -2.36 113.55 115.92 2ddh h SER 649 Ca 0.55 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.86 2ddh h SER 649 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2ddh h SER 649 CO -0.27 0.00 -0.10 0.22 -0.87 0.00 0.00 176.83 175.81 2ddh h TYR 650 N 0.00 -0.26 -0.38 4.77 3.20 -1.26 -0.94 116.97 122.10 2ddh h TYR 650 Ca 0.02 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2ddh h TYR 650 Cb 0.14 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 2ddh h TYR 650 CO 0.00 0.06 0.19 0.45 -1.64 0.00 0.00 178.16 177.22 2ddh h HIS 651 N -0.58 0.51 0.03 -3.82 3.86 -1.56 0.12 115.15 113.71 2ddh h HIS 651 Ca -0.03 -0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.92 2ddh h HIS 651 Cb 0.43 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.70 2ddh h HIS 651 CO 0.02 0.37 -1.29 0.87 0.86 0.00 0.00 177.93 178.76 2ddh h LYS 652 N 0.53 0.07 0.00 2.45 1.79 -1.46 -3.40 116.57 116.54 2ddh h LYS 652 Ca 0.14 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2ddh h LYS 652 Cb 0.04 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2ddh h LYS 652 CO -0.02 0.92 -0.09 0.72 -1.08 0.00 0.00 179.45 179.90 2ddh n HIS 653 N -3.31 0.00 -0.06 -1.35 8.25 -0.36 -4.90 115.22 113.49 2ddh n HIS 653 Ca -0.08 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.28 2ddh n HIS 653 Cb 0.99 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 32.06 2ddh n HIS 653 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2ddh n LEU 654 N -0.72 1.76 0.00 2.41 4.77 0.09 -5.04 117.00 120.26 2ddh n LEU 654 Ca 0.00 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2ddh n LEU 654 Cb 0.00 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 2ddh n LEU 654 CO 0.00 0.43 0.16 1.17 -1.33 0.00 0.00 177.39 177.81