#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sir s PHE 4 N 0.00 3.44 -0.28 -1.84 2.19 -1.26 -5.07 117.98 115.16 1sir s PHE 4 Ca 0.00 0.47 -0.01 0.00 0.33 0.00 0.00 56.93 57.71 1sir s PHE 4 Cb 0.00 -2.24 0.05 0.00 -1.31 0.00 0.00 43.02 39.52 1sir s PHE 4 CO 0.00 0.29 -0.03 0.34 1.83 0.00 0.00 175.22 177.65 1sir s ASP 5 N 0.34 4.71 0.49 6.13 3.68 -1.26 -4.99 116.67 125.77 1sir s ASP 5 Ca 0.12 -1.19 0.33 0.00 2.13 0.00 0.00 52.55 53.95 1sir s ASP 5 Cb -0.12 -1.68 1.61 0.00 -1.45 0.00 0.00 42.92 41.27 1sir s ASP 5 CO 0.01 -0.22 2.00 4.11 0.13 0.00 0.00 175.17 181.20 1sir h TRP 6 N 7.98 0.00 0.00 -5.34 5.08 -1.97 -1.08 115.95 120.62 1sir h TRP 6 Ca -0.24 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.73 1sir h TRP 6 Cb 1.07 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.23 1sir h TRP 6 CO 0.61 0.00 0.00 1.04 -1.28 0.00 0.00 178.44 178.81 1sir n GLN 7 N -2.77 0.00 -2.74 0.12 6.02 -1.26 -4.21 117.38 112.54 1sir n GLN 7 Ca -0.01 0.01 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 1sir n GLN 7 Cb 0.16 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 29.99 1sir n GLN 7 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1sir n ASP 8 N -1.50 -2.59 -0.40 1.08 2.03 -0.50 -5.04 116.55 109.64 1sir n ASP 8 Ca 0.07 -3.32 -0.05 0.00 0.52 0.00 0.00 54.79 52.01 1sir n ASP 8 Cb 0.33 1.79 -0.02 0.00 -0.72 0.00 0.00 41.12 42.50 1sir n ASP 8 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1sir h PRO 9 N 3.56 -0.00 -0.82 -0.67 0.11 -1.49 -1.08 132.00 131.62 1sir h PRO 9 Ca -0.14 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.72 1sir h PRO 9 Cb 1.07 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.03 1sir h PRO 9 CO 0.23 -0.00 0.32 1.28 -0.21 0.00 0.00 178.00 179.61 1sir n LEU 10 N -5.38 5.90 -3.51 2.35 4.32 -1.26 -4.77 117.00 114.65 1sir n LEU 10 Ca 0.07 -3.08 -0.17 0.00 -0.02 0.00 0.00 56.01 52.80 1sir n LEU 10 Cb 0.34 -0.74 0.01 0.00 -1.62 0.00 0.00 43.42 41.40 1sir n LEU 10 CO -0.15 0.81 0.00 0.52 -1.22 0.00 0.00 177.39 177.35 1sir n VAL 11 N -0.26 -6.24 -0.13 4.08 0.31 -0.41 -4.89 118.33 110.79 1sir n VAL 11 Ca 0.41 -0.25 -0.10 0.00 -0.01 0.00 0.00 64.34 64.38 1sir n VAL 11 Cb 1.36 -4.62 -0.01 0.00 -0.91 0.00 0.00 33.84 29.66 1sir n VAL 11 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1sir h LEU 12 N -0.29 0.65 -0.81 7.52 5.85 -1.94 -3.29 115.31 123.00 1sir h LEU 12 Ca -0.41 -0.28 0.10 0.00 0.84 0.00 0.00 57.88 58.13 1sir h LEU 12 Cb 1.25 -0.17 -0.11 0.00 0.37 0.00 0.00 40.66 41.99 1sir h LEU 12 CO 0.36 0.77 -0.40 1.21 -0.34 0.00 0.00 178.44 180.04 1sir n GLU 13 N -4.50 -0.27 0.00 1.25 4.07 -1.26 0.41 120.64 120.33 1sir n GLU 13 Ca -0.01 1.23 0.00 0.00 -0.06 0.00 0.00 57.16 58.32 1sir n GLU 13 Cb 0.26 -1.81 0.00 0.00 -0.06 0.00 0.00 31.44 29.82 1sir n GLU 13 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1sir n GLU 14 N -5.09 0.34 0.00 5.31 1.02 -1.24 -0.75 120.64 120.23 1sir n GLU 14 Ca 0.05 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.22 1sir n GLU 14 Cb 0.26 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 1sir n GLU 14 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1sir n GLN 15 N -0.20 1.94 -4.00 3.49 1.13 0.16 -4.99 117.38 114.90 1sir n GLN 15 Ca 0.00 -0.55 -0.36 0.00 -1.94 0.00 0.00 57.00 54.15 1sir n GLN 15 Cb 0.03 -0.99 -0.07 0.00 0.11 0.00 0.00 30.24 29.32 1sir n GLN 15 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1sir s LEU 16 N -1.24 4.18 0.73 1.08 1.43 0.07 -5.10 118.68 119.83 1sir s LEU 16 Ca 0.06 0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.41 1sir s LEU 16 Cb 0.05 -2.10 0.03 0.00 0.03 0.00 0.00 46.19 44.20 1sir s LEU 16 CO 0.15 0.37 1.07 0.42 0.23 0.00 0.00 176.35 178.60 1sir s THR 17 N -1.05 3.69 0.35 5.49 -4.23 -1.26 -4.81 115.64 113.82 1sir s THR 17 Ca 0.17 0.55 0.05 0.00 -1.18 0.00 0.00 61.69 61.28 1sir s THR 17 Cb -0.12 -3.31 0.29 0.00 1.34 0.00 0.00 72.50 70.70 1sir s THR 17 CO 0.06 -0.72 1.94 0.71 -0.54 0.00 0.00 174.62 176.07 1sir h THR 18 N -0.83 1.01 0.48 3.99 1.35 -1.98 -0.88 112.91 116.04 1sir h THR 18 Ca -0.45 -0.28 -0.02 0.00 -0.55 0.00 0.00 66.41 65.11 1sir h THR 18 Cb 1.23 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1sir h THR 18 CO 0.58 0.15 -0.23 0.44 -0.25 0.00 0.00 175.52 176.21 1sir h ASP 19 N 0.81 -0.54 -0.53 5.36 3.32 -1.99 -0.68 116.42 122.17 1sir h ASP 19 Ca 0.34 -0.06 0.11 0.00 0.02 0.00 0.00 57.03 57.44 1sir h ASP 19 Cb 0.29 0.14 -0.11 0.00 0.22 0.00 0.00 39.33 39.88 1sir h ASP 19 CO -0.12 -0.25 -0.20 -0.33 -1.72 0.00 0.00 179.24 176.61 1sir h GLU 20 N -0.83 -0.07 -0.94 3.56 5.08 -1.81 1.00 114.58 120.57 1sir h GLU 20 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1sir h GLU 20 Cb 0.57 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 1sir h GLU 20 CO 0.11 -0.05 0.60 0.82 -1.00 0.00 0.00 179.01 179.49 1sir h ILE 21 N -0.08 1.25 -0.12 3.13 2.04 -1.07 -1.13 117.51 121.53 1sir h ILE 21 Ca 0.25 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1sir h ILE 21 Cb 0.46 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1sir h ILE 21 CO -0.59 0.25 0.05 0.25 0.00 0.00 0.00 178.15 178.11 1sir h LEU 22 N 1.28 0.17 -0.35 1.44 5.85 0.54 -1.50 115.31 122.74 1sir h LEU 22 Ca 0.34 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1sir h LEU 22 Cb -0.11 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 1sir h LEU 22 CO -0.07 0.30 0.12 0.40 -0.34 0.00 0.00 178.44 178.85 1sir h ILE 23 N 0.04 0.90 0.56 4.05 2.04 -0.54 0.32 117.51 124.88 1sir h ILE 23 Ca 0.04 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1sir h ILE 23 Cb 0.18 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1sir h ILE 23 CO -0.00 0.05 -0.33 -0.09 0.00 0.00 0.00 178.15 177.77 1sir h ARG 24 N 0.27 -0.81 -0.96 2.37 2.43 -1.10 -0.91 114.38 115.66 1sir h ARG 24 Ca 0.16 0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.48 1sir h ARG 24 Cb 0.13 0.18 -0.07 0.00 -0.42 0.00 0.00 29.97 29.80 1sir h ARG 24 CO -0.16 -0.54 0.62 -0.44 -1.51 0.00 0.00 179.97 177.93 1sir h ASP 25 N -0.84 0.92 0.01 -3.80 3.32 -1.05 0.19 116.42 115.17 1sir h ASP 25 Ca -0.07 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1sir h ASP 25 Cb 0.68 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1sir h ASP 25 CO 0.07 0.54 -0.01 0.74 -1.72 0.00 0.00 179.24 178.87 1sir h THR 26 N 1.01 1.12 -0.20 0.35 2.02 -0.70 -2.56 112.91 113.95 1sir h THR 26 Ca 0.44 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 1sir h THR 26 Cb 0.35 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1sir h THR 26 CO -0.20 0.10 0.06 0.15 0.37 0.00 0.00 175.52 176.00 1sir h PHE 27 N -0.18 0.31 -1.01 3.16 -0.00 -0.53 -2.63 116.94 116.07 1sir h PHE 27 Ca -0.00 -0.03 0.23 0.00 -0.00 0.00 0.00 57.97 58.17 1sir h PHE 27 Cb 0.17 -0.09 -0.11 0.00 -0.00 0.00 0.00 35.95 35.93 1sir h PHE 27 CO -0.02 0.39 0.62 -0.09 -0.00 0.00 0.00 178.31 179.21 1sir h ARG 28 N 0.14 0.56 -0.52 1.11 2.43 -0.60 0.22 114.38 117.72 1sir h ARG 28 Ca 0.06 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1sir h ARG 28 Cb 0.23 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1sir h ARG 28 CO -0.00 0.37 0.24 1.15 -1.51 0.00 0.00 179.97 180.22 1sir h THR 29 N 0.58 1.20 -0.01 0.20 2.02 -1.08 -1.16 112.91 114.66 1sir h THR 29 Ca 0.60 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1sir h THR 29 Cb 1.20 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1sir h THR 29 CO -0.39 0.23 0.00 0.22 0.37 0.00 0.00 175.52 175.95 1sir h TYR 30 N 0.69 0.02 -0.95 3.16 5.03 -0.52 -1.48 116.97 122.93 1sir h TYR 30 Ca 0.18 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.56 1sir h TYR 30 Cb 0.14 -0.00 -0.07 0.00 1.55 0.00 0.00 36.73 38.35 1sir h TYR 30 CO -0.00 0.21 0.60 0.00 -1.32 0.00 0.00 178.16 177.64 1sir h GLN 32 N 1.07 0.03 0.03 0.00 1.08 -1.15 0.53 115.11 116.70 1sir h GLN 32 Ca 0.42 -0.05 -0.31 0.00 -1.45 0.00 0.00 58.65 57.26 1sir h GLN 32 Cb 0.21 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.62 1sir h GLN 32 CO -0.19 0.98 -1.80 0.39 -0.95 0.00 0.00 178.83 177.26 1sir n GLU 33 N -3.43 0.66 -0.08 1.46 1.02 -0.56 -4.34 120.64 115.36 1sir n GLU 33 Ca -0.01 0.28 -0.11 0.00 -0.02 0.00 0.00 57.16 57.30 1sir n GLU 33 Cb 0.91 -1.77 -0.08 0.00 -0.02 0.00 0.00 31.44 30.49 1sir n GLU 33 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1sir n ARG 34 N -3.13 0.46 -0.08 3.49 5.12 0.12 -4.68 116.66 117.95 1sir n ARG 34 Ca -0.21 0.09 -0.14 0.00 -1.93 0.00 0.00 57.85 55.66 1sir n ARG 34 Cb 1.05 -1.32 -0.09 0.00 -1.16 0.00 0.00 32.46 30.94 1sir n ARG 34 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1sir h LEU 35 N 0.00 0.00 -0.90 0.55 3.38 -1.38 -3.38 115.31 113.58 1sir h LEU 35 Ca -0.36 -0.53 0.17 0.00 0.09 0.00 0.00 57.88 57.25 1sir h LEU 35 Cb 1.56 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.21 1sir h LEU 35 CO -0.05 1.10 0.48 0.24 0.09 0.00 0.00 178.44 180.29 1sir h MET 36 N -1.00 0.61 0.00 1.13 2.86 -1.11 -0.83 114.93 116.60 1sir h MET 36 Ca -0.14 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1sir h MET 36 Cb 0.92 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1sir h MET 36 CO -0.08 0.41 0.00 -0.35 1.06 0.00 0.00 176.91 177.94 1sir n PRO 37 N -4.87 0.02 -0.04 -0.22 -0.04 -1.26 -2.88 135.00 125.71 1sir n PRO 37 Ca 0.19 0.26 0.04 0.00 -0.04 0.00 0.00 63.50 63.96 1sir n PRO 37 Cb 0.50 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.52 1sir n PRO 37 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1sir n ARG 38 N -1.48 1.00 0.08 0.54 1.85 -0.33 -4.72 116.66 113.60 1sir n ARG 38 Ca 0.04 -1.27 -0.17 0.00 -1.00 0.00 0.00 57.85 55.44 1sir n ARG 38 Cb 0.15 -1.17 -0.09 0.00 -1.05 0.00 0.00 32.46 30.29 1sir n ARG 38 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 177.63 178.59 1sir h ILE 39 N 1.58 1.39 -0.02 8.89 6.09 -1.38 -2.94 117.51 131.12 1sir h ILE 39 Ca 0.00 -2.60 0.03 0.00 -1.37 0.00 0.00 64.86 60.92 1sir h ILE 39 Cb 0.44 2.63 -0.05 0.00 0.47 0.00 0.00 36.82 40.32 1sir h ILE 39 CO 0.00 0.78 -0.32 0.25 -3.07 0.00 0.00 178.15 175.79 1sir h LEU 40 N 0.21 -0.97 -0.08 2.19 5.85 -1.85 -0.84 115.31 119.83 1sir h LEU 40 Ca -0.13 0.13 -0.13 0.00 0.84 0.00 0.00 57.88 58.60 1sir h LEU 40 Cb 1.78 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 43.19 1sir h LEU 40 CO 0.20 -0.38 -0.60 -0.07 -0.34 0.00 0.00 178.44 177.25 1sir h LEU 41 N -0.46 0.00 -0.75 2.25 3.38 -1.92 -2.00 115.31 115.81 1sir h LEU 41 Ca 0.07 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1sir h LEU 41 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1sir h LEU 41 CO -0.28 0.60 -0.34 0.00 0.09 0.00 0.00 178.44 178.51 1sir h ALA 42 N 1.40 0.92 0.09 1.53 0.00 -1.31 -0.34 119.26 121.55 1sir h ALA 42 Ca -0.01 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.33 1sir h ALA 42 Cb 1.43 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 19.12 1sir h ALA 42 CO 0.08 0.62 -0.73 -0.97 0.00 0.00 0.00 179.25 178.25 1sir h ASN 43 N 0.48 0.49 -0.84 0.00 -1.24 -1.19 0.26 115.58 113.53 1sir h ASN 43 Ca 0.05 -0.88 0.03 0.00 0.71 0.00 0.00 56.30 56.21 1sir h ASN 43 Cb 0.82 -0.15 -0.05 0.00 0.73 0.00 0.00 38.32 39.67 1sir h ASN 43 CO 0.07 1.32 0.55 -0.09 -1.29 0.00 0.00 177.43 177.99 1sir h ARG 44 N -0.28 1.02 -0.25 6.67 2.43 -1.26 -2.93 114.38 119.78 1sir h ARG 44 Ca -0.12 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1sir h ARG 44 Cb 1.51 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1sir h ARG 44 CO 0.14 0.68 0.00 0.09 -1.51 0.00 0.00 179.97 179.36 1sir n ASN 45 N -4.44 3.77 -3.95 -3.80 3.02 -0.15 -4.99 115.26 104.72 1sir n ASN 45 Ca 0.11 -2.98 -0.27 0.00 -0.03 0.00 0.00 54.58 51.41 1sir n ASN 45 Cb 0.10 -0.53 -0.01 0.00 -0.61 0.00 0.00 39.78 38.74 1sir n ASN 45 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1sir n GLU 46 N -0.51 -3.79 -4.21 3.52 1.02 -0.73 -4.96 120.64 110.99 1sir n GLU 46 Ca 0.21 0.46 -0.34 0.00 -0.02 0.00 0.00 57.16 57.46 1sir n GLU 46 Cb 0.86 -4.83 -0.10 0.00 -0.02 0.00 0.00 31.44 27.35 1sir n GLU 46 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1sir s VAL 47 N -3.74 4.39 -0.25 2.62 1.01 0.82 -4.92 120.40 120.34 1sir s VAL 47 Ca 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 1sir s VAL 47 Cb -0.10 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.37 1sir s VAL 47 CO 0.88 0.50 -0.07 0.12 0.00 0.00 0.00 175.10 176.52 1sir s PHE 48 N 0.16 3.09 -0.57 5.22 5.99 -1.26 -4.64 117.98 125.96 1sir s PHE 48 Ca 0.02 -1.68 -0.28 0.00 0.00 0.00 0.00 56.93 54.99 1sir s PHE 48 Cb -0.13 -2.04 0.03 0.00 0.00 0.00 0.00 43.02 40.88 1sir s PHE 48 CO 0.02 -0.76 1.24 -1.01 -0.00 0.00 0.00 175.22 174.70 1sir s HIS 49 N 1.29 2.54 0.55 10.12 3.76 -1.26 -4.87 115.29 127.42 1sir s HIS 49 Ca -0.01 0.43 0.25 0.00 -0.15 0.00 0.00 55.06 55.58 1sir s HIS 49 Cb -0.17 -4.49 1.47 0.00 1.11 0.00 0.00 32.58 30.50 1sir s HIS 49 CO -0.05 -1.68 2.05 -0.09 -0.85 0.00 0.00 174.74 174.13 1sir h ARG 50 N 9.85 0.00 -0.86 1.40 1.12 -2.00 -1.54 114.38 122.35 1sir h ARG 50 Ca -0.25 0.00 0.09 0.00 -1.11 0.00 0.00 59.98 58.71 1sir h ARG 50 Cb 1.06 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 30.96 1sir h ARG 50 CO 1.18 0.00 0.56 0.93 -3.11 0.00 0.00 179.97 179.53 1sir h GLU 51 N 0.00 0.82 -1.25 0.20 3.07 -1.99 -2.25 114.58 113.18 1sir h GLU 51 Ca 0.15 -0.05 0.36 0.00 -0.50 0.00 0.00 59.36 59.33 1sir h GLU 51 Cb 0.68 -0.18 -0.09 0.00 -0.84 0.00 0.00 28.75 28.32 1sir h GLU 51 CO -0.00 0.54 0.84 0.82 -1.40 0.00 0.00 179.01 179.81 1sir h ILE 52 N 0.84 0.33 0.02 3.13 2.04 -1.69 0.38 117.51 122.56 1sir h ILE 52 Ca 0.39 -0.05 -0.25 0.00 1.00 0.00 0.00 64.86 65.95 1sir h ILE 52 Cb 0.40 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1sir h ILE 52 CO -0.16 0.03 -1.02 0.40 0.00 0.00 0.00 178.15 177.39 1sir h ILE 53 N 0.16 1.35 -0.21 -0.67 1.08 -1.60 -1.62 117.51 116.00 1sir h ILE 53 Ca 0.68 -2.42 -0.05 0.00 -0.39 0.00 0.00 64.86 62.68 1sir h ILE 53 Cb 2.23 2.47 -0.01 0.00 -3.07 0.00 0.00 36.82 38.44 1sir h ILE 53 CO -0.22 0.73 -0.05 0.28 -0.69 0.00 0.00 178.15 178.20 1sir h SER 54 N 0.28 0.41 -0.09 1.72 0.02 -0.53 0.17 113.55 115.54 1sir h SER 54 Ca -0.11 -0.36 0.03 0.00 -0.84 0.00 0.00 61.79 60.51 1sir h SER 54 Cb 1.67 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 64.07 1sir h SER 54 CO 0.19 0.68 -0.09 -0.33 -1.14 0.00 0.00 176.83 176.14 1sir h GLU 55 N 0.14 -0.11 0.00 3.45 5.08 -0.62 0.76 114.58 123.28 1sir h GLU 55 Ca 0.05 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1sir h GLU 55 Cb 0.50 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1sir h GLU 55 CO 0.02 -0.07 -0.16 0.52 -1.00 0.00 0.00 179.01 178.32 1sir h MET 56 N -0.11 0.00 -0.52 2.33 2.86 -1.23 -1.46 114.93 116.80 1sir h MET 56 Ca 0.06 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.66 1sir h MET 56 Cb 0.21 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1sir h MET 56 CO -0.16 0.16 0.13 0.78 1.06 0.00 0.00 176.91 178.89 1sir h GLY 57 N 0.74 0.88 0.86 8.32 0.00 0.15 -2.34 103.07 111.68 1sir h GLY 57 Ca -0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 1sir h GLY 57 CO 0.02 0.51 -0.42 0.83 0.00 0.00 0.00 176.54 177.48 1sir h GLU 58 N 0.71 -1.01 0.00 4.80 5.08 0.07 -1.87 114.58 122.37 1sir h GLU 58 Ca 0.16 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1sir h GLU 58 Cb 0.32 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1sir h GLU 58 CO 0.00 -0.67 0.28 -0.07 -1.00 0.00 0.00 179.01 177.55 1sir h LEU 59 N -1.05 0.00 0.67 1.33 4.07 -1.39 -3.45 115.31 115.50 1sir h LEU 59 Ca -0.09 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.77 1sir h LEU 59 Cb 0.84 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.57 1sir h LEU 59 CO 0.10 0.00 -0.12 0.61 -1.08 0.00 0.00 178.44 177.95 1sir n GLY 60 N -1.24 0.17 0.14 0.83 0.00 -0.70 -4.94 105.19 99.46 1sir n GLY 60 Ca -0.02 -0.69 0.11 0.00 0.00 0.00 0.00 46.02 45.43 1sir n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1sir h VAL 61 N -0.00 0.02 -2.86 1.61 2.07 -1.71 -3.40 116.25 111.98 1sir h VAL 61 Ca -0.11 -1.03 -0.54 0.00 0.82 0.00 0.00 66.70 65.83 1sir h VAL 61 Cb 1.08 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1sir h VAL 61 CO 0.13 0.01 0.87 -0.76 0.02 0.00 0.00 177.57 177.84 1sir s LEU 62 N -5.62 4.32 -1.18 2.57 1.02 -1.25 -3.38 118.68 115.15 1sir s LEU 62 Ca 0.02 2.17 -0.16 0.00 0.02 0.00 0.00 54.13 56.18 1sir s LEU 62 Cb 0.08 -3.56 -0.01 0.00 0.02 0.00 0.00 46.19 42.72 1sir s LEU 62 CO 0.76 -0.75 0.74 0.61 0.02 0.00 0.00 176.35 177.73 1sir n GLY 63 N 3.71 -0.84 0.27 -3.19 0.00 -1.26 -4.79 105.19 99.08 1sir n GLY 63 Ca 0.14 0.40 0.15 0.00 0.00 0.00 0.00 46.02 46.70 1sir n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sir h PRO 64 N -1.86 0.00 0.00 1.61 0.13 -1.82 -3.07 132.00 126.99 1sir h PRO 64 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1sir h PRO 64 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1sir h PRO 64 CO 0.50 0.09 -0.42 0.25 -0.23 0.00 0.00 178.00 178.20 1sir n THR 65 N -3.34 0.19 -2.25 1.56 -2.24 -1.26 0.16 114.28 107.10 1sir n THR 65 Ca -0.01 -0.13 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 1sir n THR 65 Cb 0.28 -0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 1sir n THR 65 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1sir s ILE 66 N -3.07 3.16 -0.47 2.28 1.01 -1.16 -4.49 121.20 118.46 1sir s ILE 66 Ca 0.10 1.04 -0.16 0.00 0.00 0.00 0.00 60.65 61.63 1sir s ILE 66 Cb 0.16 -3.66 0.07 0.00 0.01 0.00 0.00 42.46 39.03 1sir s ILE 66 CO 0.67 0.20 0.42 -0.54 0.00 0.00 0.00 174.94 175.68 1sir s LYS 67 N -0.77 3.00 0.00 2.79 3.01 -1.26 -1.31 119.74 125.20 1sir s LYS 67 Ca 0.52 -1.28 0.00 0.00 -1.01 0.00 0.00 55.97 54.20 1sir s LYS 67 Cb -0.36 -4.12 0.00 0.00 -1.01 0.00 0.00 37.83 32.33 1sir s LYS 67 CO 0.42 -1.04 0.00 0.41 0.51 0.00 0.00 175.35 175.65 1sir n GLY 68 N 5.20 -1.13 2.39 -3.33 0.00 -1.26 -5.00 105.19 102.06 1sir n GLY 68 Ca -0.12 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 43.61 1sir n GLY 68 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sir n TYR 69 N -0.05 -1.27 -0.78 1.61 4.01 -1.26 -0.90 117.16 118.53 1sir n TYR 69 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1sir n TYR 69 Cb 0.00 -2.80 0.00 0.00 -0.31 0.00 0.00 39.34 36.23 1sir n TYR 69 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sir n GLY 70 N -0.75 0.53 3.77 2.72 0.00 -1.26 -3.73 105.19 106.47 1sir n GLY 70 Ca -0.15 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 1sir n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sir h ALA 72 N 3.97 2.13 -5.88 0.00 0.00 -1.73 -3.36 119.26 114.39 1sir h ALA 72 Ca -0.49 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.04 1sir h ALA 72 Cb 1.18 0.02 0.11 0.00 0.00 0.00 0.00 17.79 19.09 1sir h ALA 72 CO 0.63 -0.26 -0.81 0.41 0.00 0.00 0.00 179.25 179.21 1sir n GLY 73 N -1.55 -0.41 1.61 0.00 0.00 0.62 -4.98 105.19 100.48 1sir n GLY 73 Ca 0.02 0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 1sir n GLY 73 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1sir n VAL 74 N -4.13 0.00 -2.39 1.61 0.24 0.41 -4.92 118.33 109.15 1sir n VAL 74 Ca -0.27 -0.72 -0.29 0.00 -2.04 0.00 0.00 64.34 61.02 1sir n VAL 74 Cb 0.67 -1.01 -0.00 0.00 -1.47 0.00 0.00 33.84 32.03 1sir n VAL 74 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1sir s SER 75 N -2.59 6.30 0.40 -1.34 1.04 -1.26 -4.36 113.70 111.89 1sir s SER 75 Ca 0.26 1.15 0.07 0.00 0.48 0.00 0.00 55.95 57.91 1sir s SER 75 Cb -0.02 -2.34 0.84 0.00 0.10 0.00 0.00 66.02 64.60 1sir s SER 75 CO 0.17 -0.66 2.03 0.28 0.98 0.00 0.00 173.24 176.05 1sir h SER 76 N 0.19 0.51 -0.29 7.02 0.02 -1.97 -0.66 113.55 118.37 1sir h SER 76 Ca -0.46 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.45 1sir h SER 76 Cb 1.20 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 1sir h SER 76 CO 0.62 0.36 0.06 0.58 -1.14 0.00 0.00 176.83 177.30 1sir h VAL 77 N 0.60 1.23 -0.90 2.27 2.07 -1.93 -0.55 116.25 119.03 1sir h VAL 77 Ca 0.19 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1sir h VAL 77 Cb 0.04 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1sir h VAL 77 CO -0.05 0.25 0.57 0.00 0.02 0.00 0.00 177.57 178.36 1sir h ALA 78 N 0.88 1.14 -0.88 1.67 0.00 -1.63 0.15 119.26 120.60 1sir h ALA 78 Ca 0.09 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1sir h ALA 78 Cb 0.32 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1sir h ALA 78 CO 0.00 0.58 0.58 -0.92 0.00 0.00 0.00 179.25 179.49 1sir h TYR 79 N 1.23 1.10 -0.36 0.00 -0.00 -0.84 -0.56 116.97 117.54 1sir h TYR 79 Ca 0.33 0.03 -0.05 0.00 -0.00 0.00 0.00 58.73 59.03 1sir h TYR 79 Cb -0.09 -0.37 -0.01 0.00 -0.00 0.00 0.00 36.73 36.25 1sir h TYR 79 CO -0.00 0.69 0.04 0.78 -0.00 0.00 0.00 178.16 179.66 1sir h GLY 80 N 1.18 0.66 1.69 1.82 0.00 0.29 -2.24 103.07 106.48 1sir h GLY 80 Ca 0.33 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 47.22 1sir h GLY 80 CO -0.08 0.42 0.17 1.41 0.00 0.00 0.00 176.54 178.46 1sir h LEU 81 N 0.45 0.22 -0.08 3.11 3.38 -0.16 -1.50 115.31 120.72 1sir h LEU 81 Ca 0.11 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1sir h LEU 81 Cb 0.39 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1sir h LEU 81 CO 0.01 0.16 -0.17 -0.07 0.09 0.00 0.00 178.44 178.46 1sir h LEU 82 N 0.26 0.30 -1.35 1.67 3.38 -0.77 -2.78 115.31 116.02 1sir h LEU 82 Ca 0.10 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 1sir h LEU 82 Cb 0.08 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1sir h LEU 82 CO -0.02 0.80 0.35 0.00 0.09 0.00 0.00 178.44 179.67 1sir h ALA 83 N 0.50 1.52 -0.66 1.53 0.00 -1.05 -1.73 119.26 119.37 1sir h ALA 83 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1sir h ALA 83 Cb 0.76 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1sir h ALA 83 CO 0.04 0.42 0.07 -0.09 0.00 0.00 0.00 179.25 179.69 1sir h ARG 84 N 0.81 1.11 -0.18 0.00 2.43 -1.25 0.62 114.38 117.92 1sir h ARG 84 Ca 0.21 -0.32 -0.16 0.00 -0.81 0.00 0.00 59.98 58.90 1sir h ARG 84 Cb -0.03 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1sir h ARG 84 CO -0.04 1.04 -0.56 0.93 -1.51 0.00 0.00 179.97 179.83 1sir h GLU 85 N 1.03 0.55 0.22 0.20 4.39 -1.14 -1.51 114.58 118.33 1sir h GLU 85 Ca 0.20 -0.36 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1sir h GLU 85 Cb 0.49 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1sir h GLU 85 CO 0.02 0.97 -0.11 1.25 -1.16 0.00 0.00 179.01 179.98 1sir h LEU 86 N 0.42 -0.25 -2.26 1.33 6.46 -1.16 -3.00 115.31 116.85 1sir h LEU 86 Ca 0.01 -0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.52 1sir h LEU 86 Cb 1.11 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 41.10 1sir h LEU 86 CO 0.11 0.14 -0.05 -0.08 -0.62 0.00 0.00 178.44 177.94 1sir h GLU 87 N -0.69 0.00 0.00 1.25 4.81 -0.91 0.43 114.58 119.47 1sir h GLU 87 Ca -0.03 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1sir h GLU 87 Cb 0.48 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1sir h GLU 87 CO 0.05 0.05 -0.01 -0.09 -0.73 0.00 0.00 179.01 178.27 1sir h ARG 88 N 0.00 0.00 0.00 1.92 2.43 -1.12 -2.91 114.38 114.70 1sir h ARG 88 Ca -0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1sir h ARG 88 Cb 0.12 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1sir h ARG 88 CO 0.01 0.01 -0.78 0.28 -1.51 0.00 0.00 179.97 177.98 1sir n VAL 89 N -3.38 1.45 -3.64 0.20 0.31 0.09 -4.79 118.33 108.58 1sir n VAL 89 Ca -0.03 0.14 -0.10 0.00 -0.01 0.00 0.00 64.34 64.35 1sir n VAL 89 Cb 0.11 -2.31 -0.07 0.00 -0.91 0.00 0.00 33.84 30.66 1sir n VAL 89 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1sir s ASP 90 N -6.00 -0.59 0.44 4.52 -1.08 -0.89 -5.02 116.67 108.05 1sir s ASP 90 Ca -0.20 1.10 0.14 0.00 -0.52 0.00 0.00 52.55 53.07 1sir s ASP 90 Cb 0.03 1.14 0.99 0.00 -1.46 0.00 0.00 42.92 43.62 1sir s ASP 90 CO 0.32 -0.19 1.99 0.28 0.52 0.00 0.00 175.17 178.09 1sir h SER 91 N 4.83 0.04 -0.16 -0.34 0.02 -1.84 -2.71 113.55 113.38 1sir h SER 91 Ca -0.29 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.67 1sir h SER 91 Cb 1.18 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 1sir h SER 91 CO 0.10 0.20 0.09 1.23 -1.14 0.00 0.00 176.83 177.30 1sir h GLY 92 N 0.53 0.22 0.96 -3.77 0.00 -1.90 0.14 103.07 99.25 1sir h GLY 92 Ca 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1sir h GLY 92 CO 0.02 0.06 -0.14 -0.97 0.00 0.00 0.00 176.54 175.51 1sir h TYR 93 N 0.19 -0.36 -0.73 5.60 0.99 -1.75 -2.27 116.97 118.64 1sir h TYR 93 Ca 0.06 -0.01 0.12 0.00 2.00 0.00 0.00 58.73 60.91 1sir h TYR 93 Cb 0.00 0.12 -0.05 0.00 1.00 0.00 0.00 36.73 37.80 1sir h TYR 93 CO -0.08 -0.19 0.49 -0.09 -0.00 0.00 0.00 178.16 178.28 1sir h ARG 94 N -0.43 0.51 -0.94 4.88 1.12 -1.29 -0.94 114.38 117.29 1sir h ARG 94 Ca -0.04 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.80 1sir h ARG 94 Cb 0.33 -0.11 -0.05 0.00 -0.01 0.00 0.00 29.97 30.13 1sir h ARG 94 CO 0.06 0.33 0.59 0.77 -3.11 0.00 0.00 179.97 178.62 1sir h SER 95 N 0.52 1.11 -0.40 -3.80 0.02 -0.16 0.66 113.55 111.50 1sir h SER 95 Ca 0.35 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 61.16 1sir h SER 95 Cb 0.65 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1sir h SER 95 CO -0.12 0.83 -0.07 0.00 -1.14 0.00 0.00 176.83 176.33 1sir h ALA 96 N 1.32 0.55 0.00 3.77 0.00 -0.81 -2.17 119.26 121.93 1sir h ALA 96 Ca 0.34 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1sir h ALA 96 Cb -0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1sir h ALA 96 CO -0.07 0.40 -0.20 1.98 0.00 0.00 0.00 179.25 181.36 1sir h MET 97 N 0.57 0.00 0.07 0.00 1.85 -0.85 -1.92 114.93 114.66 1sir h MET 97 Ca 0.10 0.00 -0.29 0.00 -0.61 0.00 0.00 59.70 58.91 1sir h MET 97 Cb 0.58 0.00 0.03 0.00 0.43 0.00 0.00 31.60 32.64 1sir h MET 97 CO 0.03 0.20 -1.16 1.03 -0.40 0.00 0.00 176.91 176.61 1sir h SER 98 N 0.00 0.90 0.21 1.39 0.87 -0.63 -2.64 113.55 113.64 1sir h SER 98 Ca -0.00 -0.78 -0.01 0.00 -1.23 0.00 0.00 61.79 59.77 1sir h SER 98 Cb 0.56 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1sir h SER 98 CO 0.03 1.58 -0.10 0.58 -0.53 0.00 0.00 176.83 178.39 1sir h VAL 99 N 0.33 0.87 -0.44 2.23 2.07 -1.26 -0.55 116.25 119.50 1sir h VAL 99 Ca -0.16 -0.71 0.09 0.00 0.82 0.00 0.00 66.70 66.73 1sir h VAL 99 Cb 1.83 1.27 -0.08 0.00 -1.52 0.00 0.00 31.29 32.79 1sir h VAL 99 CO 0.22 0.15 -0.10 -0.61 0.02 0.00 0.00 177.57 177.26 1sir h GLN 100 N -0.66 0.01 0.11 1.57 5.75 -1.45 -0.29 115.11 120.15 1sir h GLN 100 Ca -0.03 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 1sir h GLN 100 Cb 0.47 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.02 1sir h GLN 100 CO 0.05 0.00 -0.05 0.77 -2.65 0.00 0.00 178.83 176.95 1sir h SER 101 N 0.01 -0.13 0.28 -0.69 0.02 -1.50 -1.64 113.55 109.89 1sir h SER 101 Ca 0.21 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1sir h SER 101 Cb 0.32 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1sir h SER 101 CO -0.45 0.47 -0.91 -1.20 -1.14 0.00 0.00 176.83 173.60 1sir n SER 102 N -4.85 0.69 -0.00 3.07 7.64 -0.22 -2.03 113.62 117.92 1sir n SER 102 Ca -0.05 -0.49 0.04 0.00 1.01 0.00 0.00 58.87 59.38 1sir n SER 102 Cb 0.20 0.76 -0.06 0.00 -1.01 0.00 0.00 64.21 64.10 1sir n SER 102 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1sir n LEU 103 N -1.68 0.09 0.02 -3.43 4.77 -0.27 -4.51 117.00 111.98 1sir n LEU 103 Ca 0.03 -0.12 -0.02 0.00 -0.03 0.00 0.00 56.01 55.88 1sir n LEU 103 Cb 0.38 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1sir n LEU 103 CO 0.40 0.02 -0.12 0.52 -1.33 0.00 0.00 177.39 176.88 1sir n VAL 104 N -1.66 1.11 -0.19 4.08 0.31 -0.32 -4.58 118.33 117.09 1sir n VAL 104 Ca -0.01 0.32 -0.07 0.00 -0.01 0.00 0.00 64.34 64.57 1sir n VAL 104 Cb 0.20 -1.66 0.02 0.00 -0.91 0.00 0.00 33.84 31.50 1sir n VAL 104 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1sir h MET 105 N -0.18 0.76 0.17 5.55 2.86 -1.41 -2.76 114.93 119.92 1sir h MET 105 Ca 0.00 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1sir h MET 105 Cb 0.18 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1sir h MET 105 CO 0.00 0.60 -0.08 1.25 1.06 0.00 0.00 176.91 179.74 1sir h HIS 106 N 0.72 -0.21 -0.72 -0.22 6.17 -1.64 -0.74 115.15 118.51 1sir h HIS 106 Ca 0.19 -0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.24 1sir h HIS 106 Cb 0.07 0.07 -0.03 0.00 2.52 0.00 0.00 27.41 30.04 1sir h HIS 106 CO -0.01 -0.13 0.35 -1.00 0.71 0.00 0.00 177.93 177.85 1sir h PRO 107 N -0.24 1.02 -0.53 5.26 0.13 -1.79 0.22 132.00 136.07 1sir h PRO 107 Ca -0.02 -0.14 -0.02 0.00 -0.87 0.00 0.00 66.00 64.95 1sir h PRO 107 Cb 0.18 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 31.10 1sir h PRO 107 CO 0.04 0.78 0.24 0.82 -0.23 0.00 0.00 178.00 179.65 1sir h ILE 108 N 1.02 1.21 -0.00 -3.56 2.04 -1.36 0.31 117.51 117.16 1sir h ILE 108 Ca 0.25 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1sir h ILE 108 Cb 0.10 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1sir h ILE 108 CO -0.03 0.24 0.00 0.22 0.00 0.00 0.00 178.15 178.58 1sir h TYR 109 N 0.72 0.00 0.13 1.37 3.20 -0.52 -0.54 116.97 121.33 1sir h TYR 109 Ca 0.18 -0.00 -0.28 0.00 3.14 0.00 0.00 58.73 61.78 1sir h TYR 109 Cb 0.15 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1sir h TYR 109 CO 0.00 0.21 -1.25 0.00 -1.64 0.00 0.00 178.16 175.48 1sir h ALA 110 N 0.79 0.10 -0.13 1.82 0.00 -0.48 -3.37 119.26 117.99 1sir h ALA 110 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1sir h ALA 110 Cb 0.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1sir h ALA 110 CO -0.00 0.98 0.00 0.66 0.00 0.00 0.00 179.25 180.89 1sir n TYR 111 N -3.53 0.17 -2.79 0.00 4.02 0.11 -4.92 117.16 110.21 1sir n TYR 111 Ca -0.09 -0.33 -0.21 0.00 -0.01 0.00 0.00 57.90 57.27 1sir n TYR 111 Cb 1.02 -0.02 0.06 0.00 -0.02 0.00 0.00 39.34 40.38 1sir n TYR 111 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1sir s GLY 112 N -0.83 1.80 0.34 2.72 0.00 -0.21 0.16 107.32 111.30 1sir s GLY 112 Ca 0.11 -1.75 -0.04 0.00 0.00 0.00 0.00 44.72 43.04 1sir s GLY 112 CO 0.08 -1.34 0.60 -1.35 0.00 0.00 0.00 173.10 171.10 1sir s SER 113 N -4.58 6.37 0.28 1.64 1.04 -1.26 -4.82 113.70 112.36 1sir s SER 113 Ca 0.61 0.69 0.01 0.00 0.48 0.00 0.00 55.95 57.74 1sir s SER 113 Cb -0.07 -2.14 0.55 0.00 0.10 0.00 0.00 66.02 64.46 1sir s SER 113 CO 0.40 -0.30 1.82 -0.08 0.98 0.00 0.00 173.24 176.05 1sir h GLU 114 N 1.14 0.87 -0.40 4.02 4.57 -1.98 0.03 114.58 122.83 1sir h GLU 114 Ca -0.48 -0.05 0.07 0.00 -1.18 0.00 0.00 59.36 57.72 1sir h GLU 114 Cb 1.20 -0.20 -0.06 0.00 -0.16 0.00 0.00 28.75 29.53 1sir h GLU 114 CO 0.64 0.58 0.03 1.49 -1.18 0.00 0.00 179.01 180.57 1sir h GLU 115 N 0.90 0.14 -0.17 1.92 4.81 -1.99 0.33 114.58 120.52 1sir h GLU 115 Ca 0.49 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.70 1sir h GLU 115 Cb 0.53 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1sir h GLU 115 CO -0.29 0.09 0.07 1.96 -0.73 0.00 0.00 179.01 180.11 1sir h GLN 116 N 0.15 0.26 0.11 1.92 4.20 -1.44 -0.42 115.11 119.89 1sir h GLN 116 Ca 0.20 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.88 1sir h GLN 116 Cb 0.26 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 1sir h GLN 116 CO -0.30 0.34 -0.39 0.00 -0.67 0.00 0.00 178.83 177.81 1sir h ARG 117 N 0.12 -0.60 -0.85 1.46 3.08 -0.35 0.12 114.38 117.35 1sir h ARG 117 Ca 0.06 0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.25 1sir h ARG 117 Cb 0.18 0.14 -0.08 0.00 0.08 0.00 0.00 29.97 30.29 1sir h ARG 117 CO -0.00 -0.40 0.49 1.96 -1.07 0.00 0.00 179.97 180.94 1sir h GLN 118 N -0.62 0.78 -0.06 0.04 1.08 -0.28 -0.90 115.11 115.13 1sir h GLN 118 Ca 0.03 -0.05 -0.14 0.00 -1.45 0.00 0.00 58.65 57.04 1sir h GLN 118 Cb 0.66 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 1sir h GLN 118 CO -0.23 0.51 -0.57 -0.22 -0.95 0.00 0.00 178.83 177.37 1sir h LYS 119 N 0.80 0.20 0.00 1.46 3.64 -0.38 -3.41 116.57 118.88 1sir h LYS 119 Ca 0.42 -0.13 -0.17 0.00 -1.27 0.00 0.00 60.65 59.50 1sir h LYS 119 Cb 0.40 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 1sir h LYS 119 CO -0.26 0.72 -1.56 0.66 -2.27 0.00 0.00 179.45 176.74 1sir n TYR 120 N -3.89 0.00 -0.35 1.91 4.01 0.35 -4.66 117.16 114.54 1sir n TYR 120 Ca -0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.84 1sir n TYR 120 Cb 0.59 -0.36 0.24 0.00 -0.31 0.00 0.00 39.34 39.50 1sir n TYR 120 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1sir n LEU 121 N -3.42 -0.20 -0.21 7.72 4.77 -0.38 -0.25 117.00 125.02 1sir n LEU 121 Ca -0.20 1.69 -0.08 0.00 -0.03 0.00 0.00 56.01 57.40 1sir n LEU 121 Cb 0.64 -0.58 0.03 0.00 -2.33 0.00 0.00 43.42 41.18 1sir n LEU 121 CO 0.01 -1.68 0.92 -0.65 -1.33 0.00 0.00 177.39 174.66 1sir h PRO 122 N 0.00 0.96 -0.63 3.23 0.11 -1.74 -0.16 132.00 133.77 1sir h PRO 122 Ca 0.56 -0.23 -0.03 0.00 0.11 0.00 0.00 66.00 66.41 1sir h PRO 122 Cb 1.05 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.00 1sir h PRO 122 CO -0.97 0.87 0.28 1.96 -0.21 0.00 0.00 178.00 179.94 1sir h GLN 123 N 0.87 0.92 -0.13 1.05 4.20 -0.89 -1.90 115.11 119.23 1sir h GLN 123 Ca 0.19 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1sir h GLN 123 Cb 0.34 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1sir h GLN 123 CO 0.00 0.75 0.02 -0.07 -0.67 0.00 0.00 178.83 178.86 1sir h LEU 124 N 0.87 0.21 -1.01 1.46 3.38 -1.03 0.01 115.31 119.21 1sir h LEU 124 Ca 0.21 -0.26 0.11 0.00 0.09 0.00 0.00 57.88 58.03 1sir h LEU 124 Cb 0.15 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.76 1sir h LEU 124 CO -0.02 0.42 0.64 0.00 0.09 0.00 0.00 178.44 179.57 1sir h ALA 125 N 0.80 1.50 0.00 1.53 0.00 -0.84 0.53 119.26 122.78 1sir h ALA 125 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1sir h ALA 125 Cb 0.30 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1sir h ALA 125 CO 0.00 0.27 0.00 1.63 0.00 0.00 0.00 179.25 181.15 1sir n LYS 126 N -4.59 0.00 -1.92 0.00 5.02 -0.73 -4.53 118.16 111.40 1sir n LYS 126 Ca 0.18 0.02 -0.01 0.00 -2.02 0.00 0.00 58.31 56.49 1sir n LYS 126 Cb 0.32 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1sir n LYS 126 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sir n GLY 127 N 1.36 0.35 0.03 0.72 0.00 0.18 -4.29 105.19 103.54 1sir n GLY 127 Ca 0.07 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.33 1sir n GLY 127 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sir n GLU 128 N -1.25 0.19 -3.86 1.61 1.02 -0.05 -4.06 120.64 114.23 1sir n GLU 128 Ca -0.01 0.02 -0.28 0.00 -0.02 0.00 0.00 57.16 56.87 1sir n GLU 128 Cb 0.46 -1.58 -0.16 0.00 -0.02 0.00 0.00 31.44 30.14 1sir n GLU 128 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1sir s LEU 129 N -3.67 1.62 -0.18 -4.62 1.43 -1.19 -4.99 118.68 107.08 1sir s LEU 129 Ca 0.06 -0.74 -0.22 0.00 -1.03 0.00 0.00 54.13 52.21 1sir s LEU 129 Cb 0.15 -0.87 -0.02 0.00 0.03 0.00 0.00 46.19 45.48 1sir s LEU 129 CO 0.76 -0.22 0.67 -0.22 0.23 0.00 0.00 176.35 177.58 1sir s LEU 130 N 1.66 4.16 0.49 1.79 1.98 -1.26 -4.61 118.68 122.89 1sir s LEU 130 Ca -0.00 0.92 0.03 0.00 -2.89 0.00 0.00 54.13 52.18 1sir s LEU 130 Cb -0.16 -2.96 -0.02 0.00 0.66 0.00 0.00 46.19 43.70 1sir s LEU 130 CO -0.07 -0.28 0.04 -0.83 -1.89 0.00 0.00 176.35 173.32 1sir s GLY 131 N 1.15 2.85 0.15 7.98 0.00 -1.26 0.10 107.32 118.30 1sir s GLY 131 Ca 0.31 -0.90 -0.13 0.00 0.00 0.00 0.00 44.72 44.01 1sir s GLY 131 CO 0.11 -2.15 0.36 0.00 0.00 0.00 0.00 173.10 171.42 1sir s PHE 133 N -3.90 3.18 -0.65 0.00 2.19 -1.26 -0.97 117.98 116.58 1sir s PHE 133 Ca 0.10 -1.77 -0.13 0.00 0.33 0.00 0.00 56.93 55.46 1sir s PHE 133 Cb 0.02 -2.07 0.17 0.00 -1.31 0.00 0.00 43.02 39.82 1sir s PHE 133 CO -0.05 -0.78 0.58 0.20 1.83 0.00 0.00 175.22 177.00 1sir s GLY 134 N 1.27 2.35 0.05 13.12 0.00 0.88 -4.77 107.32 120.21 1sir s GLY 134 Ca -0.03 -2.91 -0.00 0.00 0.00 0.00 0.00 44.72 41.77 1sir s GLY 134 CO -0.03 1.20 -0.00 -0.10 0.00 0.00 0.00 173.10 174.17 1sir n LEU 135 N 4.54 0.61 -4.74 0.66 7.94 -1.26 -2.51 117.00 122.24 1sir n LEU 135 Ca -0.00 0.08 -0.39 0.00 -1.11 0.00 0.00 56.01 54.59 1sir n LEU 135 Cb 0.43 -0.19 0.04 0.00 0.53 0.00 0.00 43.42 44.23 1sir n LEU 135 CO 0.42 -0.41 0.98 0.41 -1.11 0.00 0.00 177.39 177.68 1sir n THR 136 N -3.28 3.66 -4.22 1.96 -1.04 -1.26 -4.96 114.28 105.14 1sir n THR 136 Ca -0.00 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.38 1sir n THR 136 Cb 0.23 -1.67 -0.10 0.00 -1.82 0.00 0.00 70.33 66.97 1sir n THR 136 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1sir s GLU 137 N -2.80 1.01 0.41 -2.82 2.02 0.06 -2.34 118.70 114.24 1sir s GLU 137 Ca 0.70 -1.46 0.19 0.00 0.02 0.00 0.00 54.97 54.42 1sir s GLU 137 Cb -0.42 -0.28 1.12 0.00 0.10 0.00 0.00 34.13 34.64 1sir s GLU 137 CO 0.50 -0.07 1.78 -1.35 0.02 0.00 0.00 175.26 176.15 1sir h PRO 138 N 2.79 0.37 -0.18 0.39 0.11 -1.91 -1.01 132.00 132.58 1sir h PRO 138 Ca -0.36 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 1sir h PRO 138 Cb 1.19 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1sir h PRO 138 CO 0.63 0.25 -0.01 0.09 -0.21 0.00 0.00 178.00 178.75 1sir n ASN 139 N -4.59 3.24 -3.42 -2.05 4.13 -1.26 -4.90 115.26 106.41 1sir n ASN 139 Ca 0.24 -3.11 -0.14 0.00 1.68 0.00 0.00 54.58 53.25 1sir n ASN 139 Cb 0.87 -0.51 -0.10 0.00 -1.54 0.00 0.00 39.78 38.49 1sir n ASN 139 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1sir s SER 140 N -2.32 0.94 0.00 6.41 0.15 -0.38 -4.84 113.70 113.66 1sir s SER 140 Ca 0.39 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.92 1sir s SER 140 Cb 0.33 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 1sir s SER 140 CO 0.06 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.79 1sir n GLY 141 N 5.34 0.03 0.24 9.45 0.00 -1.26 -0.76 105.19 118.23 1sir n GLY 141 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.09 1sir n GLY 141 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1sir h SER 142 N 0.00 0.00 -4.14 1.61 0.02 -1.97 -3.37 113.55 105.70 1sir h SER 142 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 1sir h SER 142 Cb 0.00 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.16 1sir h SER 142 CO 0.00 0.19 -0.50 -0.62 -1.14 0.00 0.00 176.83 174.76 1sir s ASP 143 N -6.15 4.87 0.43 3.07 2.15 -1.26 -4.96 116.67 114.82 1sir s ASP 143 Ca -0.01 -2.80 0.29 0.00 0.43 0.00 0.00 52.55 50.46 1sir s ASP 143 Cb 0.11 -1.76 1.04 0.00 -0.30 0.00 0.00 42.92 42.02 1sir s ASP 143 CO 0.62 -0.33 1.83 -0.65 -0.17 0.00 0.00 175.17 176.47 1sir h PRO 144 N 6.96 0.00 -0.63 4.34 0.11 -1.90 -2.99 132.00 137.88 1sir h PRO 144 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1sir h PRO 144 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1sir h PRO 144 CO 0.69 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.35 1sir n SER 145 N -2.81 0.63 0.00 -2.05 3.41 -1.26 -2.32 113.62 109.22 1sir n SER 145 Ca 0.02 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 1sir n SER 145 Cb 0.34 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1sir n SER 145 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1sir n SER 146 N -0.15 1.47 -4.74 4.04 2.88 -1.13 -5.06 113.62 110.92 1sir n SER 146 Ca 0.00 -1.59 -0.37 0.00 -1.33 0.00 0.00 58.87 55.58 1sir n SER 146 Cb 0.16 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.67 1sir n SER 146 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sir s MET 147 N -0.59 2.83 0.00 -1.46 0.23 -0.98 -4.76 119.30 114.57 1sir s MET 147 Ca 0.00 2.05 0.14 0.00 -1.03 0.00 0.00 55.69 56.85 1sir s MET 147 Cb 0.00 -1.99 0.00 0.00 -1.53 0.00 0.00 34.83 31.32 1sir s MET 147 CO 0.00 -1.37 0.79 0.39 -2.03 0.00 0.00 175.02 172.80 1sir n GLU 148 N -1.56 1.76 -2.26 3.16 1.02 -1.26 -4.91 120.64 116.58 1sir n GLU 148 Ca 0.14 -0.78 -0.43 0.00 -0.02 0.00 0.00 57.16 56.06 1sir n GLU 148 Cb 0.48 -1.21 -0.02 0.00 -0.02 0.00 0.00 31.44 30.66 1sir n GLU 148 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1sir s THR 149 N -1.68 3.80 -0.00 2.62 2.01 -1.26 -4.81 115.64 116.32 1sir s THR 149 Ca 0.12 0.81 -0.01 0.00 0.31 0.00 0.00 61.69 62.93 1sir s THR 149 Cb 0.11 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1sir s THR 149 CO 0.34 -0.66 0.10 -0.13 -0.69 0.00 0.00 174.62 173.58 1sir s ARG 150 N 5.10 3.13 -0.24 4.92 1.81 -0.51 -0.94 118.95 132.23 1sir s ARG 150 Ca 0.66 -0.46 0.02 0.00 -1.72 0.00 0.00 55.73 54.23 1sir s ARG 150 Cb -0.16 -2.90 0.05 0.00 -0.45 0.00 0.00 34.95 31.49 1sir s ARG 150 CO 0.33 0.65 -0.10 0.00 -0.68 0.00 0.00 175.30 175.50 1sir s ALA 151 N -1.23 2.28 0.07 2.13 0.00 -0.77 -1.53 121.76 122.71 1sir s ALA 151 Ca 0.24 -1.52 -0.13 0.00 0.00 0.00 0.00 51.96 50.56 1sir s ALA 151 Cb -0.12 -1.46 -0.06 0.00 0.00 0.00 0.00 23.12 21.47 1sir s ALA 151 CO 0.15 -1.08 0.44 -1.01 0.00 0.00 0.00 175.76 174.27 1sir s HIS 152 N 1.25 3.65 -0.03 0.00 3.76 -0.23 -4.11 115.29 119.58 1sir s HIS 152 Ca -0.06 0.93 -0.16 0.00 -0.15 0.00 0.00 55.06 55.63 1sir s HIS 152 Cb -0.19 -2.26 -0.05 0.00 1.11 0.00 0.00 32.58 31.19 1sir s HIS 152 CO -0.06 0.55 0.43 -0.47 -0.85 0.00 0.00 174.74 174.33 1sir s TYR 153 N -1.29 3.67 -0.77 1.40 5.04 -1.26 -0.12 117.35 124.01 1sir s TYR 153 Ca 0.31 0.96 -0.03 0.00 -2.44 0.00 0.00 57.07 55.87 1sir s TYR 153 Cb -0.15 -2.37 0.19 0.00 0.35 0.00 0.00 41.96 39.98 1sir s TYR 153 CO 0.17 0.51 0.63 -0.80 -1.34 0.00 0.00 175.55 174.71 1sir s ASN 154 N -0.59 5.68 0.38 4.32 0.01 0.18 -4.94 114.94 119.97 1sir s ASN 154 Ca 0.24 -3.32 0.21 0.00 -0.71 0.00 0.00 52.86 49.29 1sir s ASN 154 Cb -0.16 -1.89 1.31 0.00 0.41 0.00 0.00 41.25 40.91 1sir s ASN 154 CO 0.12 -0.28 1.60 0.77 -1.51 0.00 0.00 177.10 177.81 1sir h SER 155 N 6.50 0.35 0.30 -1.22 4.64 -1.96 0.38 113.55 122.54 1sir h SER 155 Ca 0.08 0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.61 1sir h SER 155 Cb 0.88 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1sir h SER 155 CO 0.78 -0.33 -0.14 0.77 -0.87 0.00 0.00 176.83 177.04 1sir h SER 156 N 0.08 -0.34 0.00 4.97 4.64 -1.95 -3.30 113.55 117.66 1sir h SER 156 Ca 0.82 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 62.15 1sir h SER 156 Cb 2.19 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 64.37 1sir h SER 156 CO -0.68 -0.19 0.00 0.59 -0.87 0.00 0.00 176.83 175.68 1sir n ASN 157 N -3.39 0.00 -3.49 4.97 3.02 -0.92 -4.92 115.26 110.53 1sir n ASN 157 Ca -0.05 -0.93 -0.17 0.00 -0.03 0.00 0.00 54.58 53.40 1sir n ASN 157 Cb 0.16 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.34 1sir n ASN 157 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1sir n LYS 158 N -0.95 -1.38 -3.78 3.52 4.76 0.08 -4.90 118.16 115.51 1sir n LYS 158 Ca 0.18 0.95 -0.03 0.00 -2.87 0.00 0.00 58.31 56.54 1sir n LYS 158 Cb 0.08 -4.05 -0.00 0.00 -1.84 0.00 0.00 35.03 29.22 1sir n LYS 158 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1sir s SER 159 N -3.12 -0.12 0.13 4.39 1.04 -1.21 -2.94 113.70 111.86 1sir s SER 159 Ca 0.13 -0.47 0.10 0.00 0.48 0.00 0.00 55.95 56.19 1sir s SER 159 Cb -0.05 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1sir s SER 159 CO 0.83 -0.91 -0.24 -0.31 0.98 0.00 0.00 173.24 173.59 1sir s TYR 160 N -2.96 2.10 -0.20 5.02 2.02 -0.55 0.48 117.35 123.25 1sir s TYR 160 Ca 0.15 -0.40 -0.03 0.00 -0.37 0.00 0.00 57.07 56.42 1sir s TYR 160 Cb -0.01 -1.12 -0.01 0.00 -0.40 0.00 0.00 41.96 40.41 1sir s TYR 160 CO 0.03 0.31 -0.07 0.99 -1.57 0.00 0.00 175.55 175.24 1sir s THR 161 N -1.21 3.28 -0.15 -0.71 2.01 0.83 -0.19 115.64 119.49 1sir s THR 161 Ca 0.12 -0.54 -0.07 0.00 0.31 0.00 0.00 61.69 61.51 1sir s THR 161 Cb -0.10 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 1sir s THR 161 CO 0.06 0.45 0.09 -0.76 -0.69 0.00 0.00 174.62 173.77 1sir s LEU 162 N 1.22 4.05 -0.05 4.42 1.02 0.12 -1.07 118.68 128.40 1sir s LEU 162 Ca 0.03 0.25 0.02 0.00 0.02 0.00 0.00 54.13 54.44 1sir s LEU 162 Cb -0.14 -2.00 0.02 0.00 0.02 0.00 0.00 46.19 44.08 1sir s LEU 162 CO -0.02 0.28 -0.08 0.20 0.02 0.00 0.00 176.35 176.75 1sir s ASN 163 N -0.27 1.26 0.00 2.29 0.01 -0.58 -2.03 114.94 115.63 1sir s ASN 163 Ca 0.09 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 52.05 1sir s ASN 163 Cb -0.12 -0.55 0.00 0.00 0.41 0.00 0.00 41.25 40.99 1sir s ASN 163 CO 0.01 0.00 0.00 0.61 -1.51 0.00 0.00 177.10 176.21 1sir n GLY 164 N 3.80 -0.36 2.80 0.66 0.00 -1.06 -1.42 105.19 109.61 1sir n GLY 164 Ca -0.23 -1.31 -0.16 0.00 0.00 0.00 0.00 46.02 44.32 1sir n GLY 164 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sir s THR 165 N -1.97 0.07 -0.09 2.61 2.01 -1.26 -1.55 115.64 115.45 1sir s THR 165 Ca 0.00 0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.15 1sir s THR 165 Cb 0.00 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.30 1sir s THR 165 CO 0.00 0.12 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.40 1sir s LYS 166 N 1.05 2.98 0.27 4.92 -0.14 -0.70 -4.33 119.74 123.79 1sir s LYS 166 Ca -0.09 -0.63 0.06 0.00 -1.36 0.00 0.00 55.97 53.94 1sir s LYS 166 Cb -0.13 -2.58 -0.06 0.00 -1.68 0.00 0.00 37.83 33.38 1sir s LYS 166 CO -0.02 0.46 -0.05 -0.08 -0.76 0.00 0.00 175.35 174.90 1sir s THR 167 N -0.29 1.52 -1.26 2.17 -1.32 -0.99 -0.78 115.64 114.68 1sir s THR 167 Ca 0.03 -2.10 -0.03 0.00 -1.21 0.00 0.00 61.69 58.38 1sir s THR 167 Cb -0.13 -2.43 0.01 0.00 -1.51 0.00 0.00 72.50 68.44 1sir s THR 167 CO 0.03 -0.30 1.01 0.79 -2.21 0.00 0.00 174.62 173.93 1sir n TRP 168 N -0.55 -2.33 -3.75 9.09 7.02 -1.20 -4.56 117.44 121.17 1sir n TRP 168 Ca -0.05 0.95 -0.36 0.00 -1.02 0.00 0.00 57.50 57.01 1sir n TRP 168 Cb 0.63 -4.95 -0.10 0.00 -2.42 0.00 0.00 31.31 24.47 1sir n TRP 168 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1sir s ILE 169 N -3.39 5.12 0.09 -0.99 -1.09 0.17 -4.88 121.20 116.23 1sir s ILE 169 Ca 0.16 0.09 -0.31 0.00 -2.23 0.00 0.00 60.65 58.37 1sir s ILE 169 Cb -0.07 -3.37 -0.06 0.00 -1.58 0.00 0.00 42.46 37.37 1sir s ILE 169 CO 0.74 0.37 1.25 -0.89 -1.23 0.00 0.00 174.94 175.18 1sir s THR 170 N 0.97 3.79 0.00 2.92 2.01 -1.26 -0.80 115.64 123.27 1sir s THR 170 Ca 0.06 1.30 0.00 0.00 0.31 0.00 0.00 61.69 63.37 1sir s THR 170 Cb -0.13 -3.84 0.00 0.00 0.01 0.00 0.00 72.50 68.54 1sir s THR 170 CO 0.03 0.11 0.00 0.59 -0.69 0.00 0.00 174.62 174.67 1sir n ASN 171 N 3.79 0.00 -0.28 3.53 3.02 0.10 -4.49 115.26 120.93 1sir n ASN 171 Ca 0.09 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.73 1sir n ASN 171 Cb 0.45 -0.18 0.24 0.00 -0.61 0.00 0.00 39.78 39.68 1sir n ASN 171 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1sir h SER 172 N 0.00 0.29 -0.77 6.41 4.64 -1.78 -1.99 113.55 120.35 1sir h SER 172 Ca 0.00 0.13 0.15 0.00 -0.47 0.00 0.00 61.79 61.60 1sir h SER 172 Cb 0.00 0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 62.15 1sir h SER 172 CO 0.00 0.06 0.51 -0.65 -0.87 0.00 0.00 176.83 175.88 1sir h PRO 173 N 0.43 0.44 -0.66 4.77 0.11 -1.85 -2.80 132.00 132.44 1sir h PRO 173 Ca 0.48 -0.03 -0.44 0.00 0.11 0.00 0.00 66.00 66.12 1sir h PRO 173 Cb 0.80 -0.10 -0.42 0.00 0.11 0.00 0.00 31.00 31.39 1sir h PRO 173 CO -0.46 0.29 -0.93 0.00 -0.21 0.00 0.00 178.00 176.69 1sir n MET 174 N -4.49 2.92 -3.65 1.05 0.00 -0.82 -4.99 117.12 107.15 1sir n MET 174 Ca 0.15 -3.94 -0.24 0.00 0.00 0.00 0.00 57.70 53.67 1sir n MET 174 Cb 0.52 -2.03 -0.02 0.00 0.00 0.00 0.00 33.22 31.69 1sir n MET 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1sir s ALA 175 N -3.67 3.80 -0.11 3.17 0.00 -0.81 -4.77 121.76 119.37 1sir s ALA 175 Ca 0.42 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.41 1sir s ALA 175 Cb 0.38 -1.96 -0.09 0.00 0.00 0.00 0.00 23.12 21.46 1sir s ALA 175 CO 0.01 0.17 -0.06 -0.25 0.00 0.00 0.00 175.76 175.62 1sir n ASP 176 N -1.42 3.02 -4.34 0.00 9.92 0.29 -4.63 116.55 119.39 1sir n ASP 176 Ca -0.06 -0.04 -0.32 0.00 -0.53 0.00 0.00 54.79 53.84 1sir n ASP 176 Cb 0.56 0.10 -0.15 0.00 -0.64 0.00 0.00 41.12 40.98 1sir n ASP 176 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1sir s LEU 177 N -5.36 2.30 -0.18 0.64 2.96 -1.11 -1.82 118.68 116.11 1sir s LEU 177 Ca -0.12 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.39 1sir s LEU 177 Cb 0.04 -1.44 0.02 0.00 0.50 0.00 0.00 46.19 45.31 1sir s LEU 177 CO 0.29 0.28 -0.20 -0.36 -1.32 0.00 0.00 176.35 175.04 1sir s PHE 178 N -0.33 2.77 -0.55 5.38 0.08 0.85 -1.94 117.98 124.24 1sir s PHE 178 Ca 0.02 -1.65 -0.18 0.00 0.12 0.00 0.00 56.93 55.24 1sir s PHE 178 Cb -0.12 -1.91 0.10 0.00 -0.57 0.00 0.00 43.02 40.51 1sir s PHE 178 CO 0.02 -0.81 0.61 0.08 -0.10 0.00 0.00 175.22 175.02 1sir s VAL 179 N 1.29 4.96 -0.02 -0.44 1.01 -0.14 -1.38 120.40 125.69 1sir s VAL 179 Ca 0.05 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1sir s VAL 179 Cb -0.13 -4.38 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 1sir s VAL 179 CO -0.13 -0.95 -0.02 -0.69 0.00 0.00 0.00 175.10 173.32 1sir s VAL 180 N 2.31 4.03 -0.14 2.92 1.01 -0.10 -0.09 120.40 130.35 1sir s VAL 180 Ca 0.09 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.50 1sir s VAL 180 Cb -0.25 -2.76 -0.00 0.00 0.00 0.00 0.00 36.38 33.37 1sir s VAL 180 CO 0.07 0.42 -0.18 0.26 0.00 0.00 0.00 175.10 175.67 1sir s TRP 181 N -1.02 2.71 0.11 5.22 0.52 -1.05 0.44 118.94 125.89 1sir s TRP 181 Ca 0.18 -1.07 0.03 0.00 0.02 0.00 0.00 56.10 55.26 1sir s TRP 181 Cb -0.11 -1.83 -0.04 0.00 -1.15 0.00 0.00 33.47 30.34 1sir s TRP 181 CO 0.08 -0.46 -0.09 0.00 0.02 0.00 0.00 176.95 176.50 1sir s ALA 182 N 0.66 1.18 0.06 0.98 0.00 -1.07 -4.89 121.76 118.68 1sir s ALA 182 Ca -0.09 -1.34 -0.23 0.00 0.00 0.00 0.00 51.96 50.30 1sir s ALA 182 Cb -0.16 0.08 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 1sir s ALA 182 CO 0.02 -0.13 0.68 0.50 0.00 0.00 0.00 175.76 176.84 1sir s ARG 183 N -3.47 4.40 0.42 0.00 3.52 -0.11 -2.36 118.95 121.35 1sir s ARG 183 Ca 0.11 0.93 0.08 0.00 -0.13 0.00 0.00 55.73 56.72 1sir s ARG 183 Cb 0.02 -3.31 0.01 0.00 -1.56 0.00 0.00 34.95 30.11 1sir s ARG 183 CO -0.01 0.44 0.56 0.00 -0.81 0.00 0.00 175.30 175.48 1sir h GLU 185 N 0.66 0.00 -0.00 0.00 5.08 -1.85 0.29 114.58 118.76 1sir h GLU 185 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1sir h GLU 185 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1sir h GLU 185 CO 0.46 0.07 -0.11 -0.40 -1.00 0.00 0.00 179.01 178.02 1sir n ASP 186 N -3.56 0.42 0.00 1.42 5.75 -1.26 -4.91 116.55 114.41 1sir n ASP 186 Ca -0.02 -0.51 0.00 0.00 -0.01 0.00 0.00 54.79 54.25 1sir n ASP 186 Cb 0.18 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 1sir n ASP 186 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1sir n GLY 187 N 1.29 3.22 3.81 6.12 0.00 0.09 -5.05 105.19 114.67 1sir n GLY 187 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1sir n GLY 187 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sir s ILE 189 N -3.03 2.32 0.48 0.00 -5.25 -1.17 0.77 121.20 115.32 1sir s ILE 189 Ca 0.59 -0.85 0.05 0.00 -0.99 0.00 0.00 60.65 59.44 1sir s ILE 189 Cb -0.14 -1.99 -0.02 0.00 2.95 0.00 0.00 42.46 43.26 1sir s ILE 189 CO 0.55 0.52 0.17 -0.13 -1.79 0.00 0.00 174.94 174.26 1sir s ARG 190 N 1.28 2.20 -0.08 0.37 0.52 -1.00 -2.27 118.95 119.97 1sir s ARG 190 Ca 0.04 -2.09 -0.02 0.00 -0.52 0.00 0.00 55.73 53.15 1sir s ARG 190 Cb -0.13 -1.84 -0.03 0.00 0.52 0.00 0.00 34.95 33.46 1sir s ARG 190 CO -0.10 -0.32 -0.00 0.20 0.02 0.00 0.00 175.30 175.09 1sir s GLY 191 N -3.98 1.85 0.03 -3.53 0.00 -1.26 -2.59 107.32 97.83 1sir s GLY 191 Ca 0.27 -0.82 0.07 0.00 0.00 0.00 0.00 44.72 44.24 1sir s GLY 191 CO 0.16 -0.59 -0.20 -1.36 0.00 0.00 0.00 173.10 171.11 1sir s PHE 192 N -0.89 1.73 -0.26 1.90 0.08 0.17 -0.36 117.98 120.34 1sir s PHE 192 Ca 0.14 -0.36 -0.09 0.00 0.12 0.00 0.00 56.93 56.74 1sir s PHE 192 Cb -0.11 -1.05 -0.04 0.00 -0.57 0.00 0.00 43.02 41.25 1sir s PHE 192 CO 0.03 0.05 0.13 -0.51 -0.10 0.00 0.00 175.22 174.82 1sir s LEU 193 N -0.96 3.74 0.20 -0.37 1.43 0.37 -0.93 118.68 122.16 1sir s LEU 193 Ca 0.07 -0.10 0.10 0.00 -1.03 0.00 0.00 54.13 53.17 1sir s LEU 193 Cb -0.08 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 1sir s LEU 193 CO 0.01 -0.04 -0.17 -0.76 0.23 0.00 0.00 176.35 175.62 1sir s LEU 194 N 1.67 2.67 0.08 1.79 1.43 -0.48 -4.87 118.68 120.98 1sir s LEU 194 Ca 0.07 -0.77 0.07 0.00 -1.03 0.00 0.00 54.13 52.47 1sir s LEU 194 Cb -0.16 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 1sir s LEU 194 CO 0.07 0.10 -0.18 -1.61 0.23 0.00 0.00 176.35 174.96 1sir s GLU 195 N -2.84 1.04 0.38 1.70 2.02 -1.26 -0.11 118.70 119.64 1sir s GLU 195 Ca 0.23 -1.03 -0.27 0.00 0.02 0.00 0.00 54.97 53.92 1sir s GLU 195 Cb -0.08 -1.19 -0.11 0.00 0.10 0.00 0.00 34.13 32.85 1sir s GLU 195 CO 0.13 0.28 1.30 0.36 0.02 0.00 0.00 175.26 177.34 1sir n LYS 196 N 1.32 2.09 0.00 1.61 2.85 -0.76 -2.18 118.16 123.08 1sir n LYS 196 Ca -0.20 0.74 0.00 0.00 -1.05 0.00 0.00 58.31 57.80 1sir n LYS 196 Cb 0.54 -2.38 0.00 0.00 -0.65 0.00 0.00 35.03 32.53 1sir n LYS 196 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1sir n GLY 197 N 0.76 3.08 3.71 2.58 0.00 -1.26 -5.04 105.19 109.02 1sir n GLY 197 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1sir n GLY 197 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1sir n MET 198 N -1.25 2.76 -1.72 1.61 2.81 -0.93 -4.87 117.12 115.54 1sir n MET 198 Ca 0.00 1.00 -0.43 0.00 -1.81 0.00 0.00 57.70 56.46 1sir n MET 198 Cb 0.00 -2.85 -0.02 0.00 -0.71 0.00 0.00 33.22 29.64 1sir n MET 198 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1sir n ARG 199 N 4.09 2.57 -0.03 0.03 3.00 -1.26 -1.75 116.66 123.31 1sir n ARG 199 Ca 0.16 0.92 0.00 0.00 -0.00 0.00 0.00 57.85 58.93 1sir n ARG 199 Cb 0.35 -2.70 0.00 0.00 0.00 0.00 0.00 32.46 30.11 1sir n ARG 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sir n GLY 200 N 2.73 0.62 3.59 5.14 0.00 -1.26 -4.42 105.19 111.60 1sir n GLY 200 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1sir n GLY 200 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sir s LEU 201 N 0.00 3.90 0.06 0.99 2.96 -0.72 -0.91 118.68 124.96 1sir s LEU 201 Ca 0.00 0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 1sir s LEU 201 Cb 0.00 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 1sir s LEU 201 CO 0.00 0.03 -0.07 -0.94 -1.32 0.00 0.00 176.35 174.05 1sir s SER 202 N 1.24 0.89 -0.43 3.68 1.04 -0.72 -4.77 113.70 114.64 1sir s SER 202 Ca 0.06 -0.68 0.05 0.00 0.48 0.00 0.00 55.95 55.86 1sir s SER 202 Cb -0.14 0.06 0.18 0.00 0.10 0.00 0.00 66.02 66.22 1sir s SER 202 CO 0.05 -0.29 0.44 0.00 0.98 0.00 0.00 173.24 174.43 1sir n ALA 203 N 1.04 1.76 -1.68 5.32 0.00 -1.26 -0.08 120.51 125.61 1sir n ALA 203 Ca -0.20 -2.66 -0.33 0.00 0.00 0.00 0.00 53.44 50.25 1sir n ALA 203 Cb 0.56 -0.92 0.01 0.00 0.00 0.00 0.00 19.45 19.10 1sir n ALA 203 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sir s PRO 204 N 0.16 3.31 0.50 0.00 0.04 -1.26 -4.13 135.00 133.63 1sir s PRO 204 Ca 0.32 1.34 -0.20 0.00 0.04 0.00 0.00 61.00 62.50 1sir s PRO 204 Cb 0.04 -2.02 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 1sir s PRO 204 CO -0.16 -0.83 1.08 0.50 0.04 0.00 0.00 177.00 177.62 1sir s ARG 205 N -3.78 3.66 -0.05 4.56 3.52 -1.26 -1.50 118.95 124.09 1sir s ARG 205 Ca 0.66 1.48 -0.11 0.00 -0.13 0.00 0.00 55.73 57.64 1sir s ARG 205 Cb -0.18 -2.10 -0.05 0.00 -1.56 0.00 0.00 34.95 31.06 1sir s ARG 205 CO 0.33 -0.57 0.28 0.42 -0.81 0.00 0.00 175.30 174.95 1sir s ILE 206 N -1.86 5.26 0.17 4.11 1.01 0.26 -4.86 121.20 125.27 1sir s ILE 206 Ca 0.69 0.50 0.09 0.00 0.00 0.00 0.00 60.65 61.93 1sir s ILE 206 Cb -0.20 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 1sir s ILE 206 CO 0.23 0.57 -0.13 -1.10 0.00 0.00 0.00 174.94 174.52 1sir s GLN 207 N -1.14 1.95 0.00 2.79 -1.52 -1.26 -4.75 119.66 115.72 1sir s GLN 207 Ca 0.21 -1.27 0.00 0.00 -1.95 0.00 0.00 55.36 52.35 1sir s GLN 207 Cb -0.14 -2.12 0.00 0.00 -0.22 0.00 0.00 33.01 30.53 1sir s GLN 207 CO 0.10 0.44 0.00 0.41 -0.25 0.00 0.00 175.29 175.99 1sir n GLY 208 N 0.24 0.76 3.77 3.09 0.00 -1.26 -5.05 105.19 106.74 1sir n GLY 208 Ca -0.12 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.83 1sir n GLY 208 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sir s LYS 209 N -3.09 4.62 -0.30 1.61 1.02 -1.26 -4.96 119.74 117.39 1sir s LYS 209 Ca 0.00 1.22 0.15 0.00 0.02 0.00 0.00 55.97 57.36 1sir s LYS 209 Cb 0.00 -3.26 0.48 0.00 -0.52 0.00 0.00 37.83 34.53 1sir s LYS 209 CO 0.00 0.56 1.12 1.19 -0.92 0.00 0.00 175.35 177.30 1sir n PHE 210 N 1.56 1.99 -3.64 3.18 3.72 -1.26 -4.86 117.46 118.15 1sir n PHE 210 Ca -0.05 -2.35 -0.07 0.00 -0.05 0.00 0.00 57.45 54.93 1sir n PHE 210 Cb 0.48 -0.27 -0.07 0.00 -0.94 0.00 0.00 39.48 38.68 1sir n PHE 210 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1sir s SER 211 N -3.62 -0.44 -1.46 4.37 0.15 -1.26 -4.79 113.70 106.65 1sir s SER 211 Ca 0.38 0.80 -0.09 0.00 0.70 0.00 0.00 55.95 57.74 1sir s SER 211 Cb 0.38 0.90 0.05 0.00 -1.71 0.00 0.00 66.02 65.64 1sir s SER 211 CO -0.02 -0.14 0.85 0.18 1.20 0.00 0.00 173.24 175.32 1sir n LEU 212 N 2.51 -2.69 0.20 3.45 4.77 -1.26 -4.88 117.00 119.10 1sir n LEU 212 Ca -0.14 -0.81 0.03 0.00 -0.03 0.00 0.00 56.01 55.06 1sir n LEU 212 Cb 0.56 -2.56 0.40 0.00 -2.33 0.00 0.00 43.42 39.50 1sir n LEU 212 CO 0.02 0.44 0.77 0.03 -1.33 0.00 0.00 177.39 177.33 1sir h ARG 213 N -1.99 0.00 -0.86 3.23 3.08 -1.89 -2.35 114.38 113.61 1sir h ARG 213 Ca -0.59 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.46 1sir h ARG 213 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1sir h ARG 213 CO 0.64 0.32 0.00 0.00 -1.07 0.00 0.00 179.97 179.86 1sir n ALA 214 N -2.47 2.62 -2.47 0.04 0.00 -1.26 -4.19 120.51 112.78 1sir n ALA 214 Ca -0.02 -0.18 -0.26 0.00 0.00 0.00 0.00 53.44 52.98 1sir n ALA 214 Cb 0.36 -1.01 -0.14 0.00 0.00 0.00 0.00 19.45 18.66 1sir n ALA 214 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1sir s SER 215 N -0.18 2.54 -0.13 0.00 0.15 -0.89 -4.58 113.70 110.62 1sir s SER 215 Ca 0.05 -0.52 -0.19 0.00 0.70 0.00 0.00 55.95 55.99 1sir s SER 215 Cb 0.04 -0.22 -0.04 0.00 -1.71 0.00 0.00 66.02 64.09 1sir s SER 215 CO 0.02 0.17 0.52 0.00 1.20 0.00 0.00 173.24 175.15 1sir s ALA 216 N -0.79 3.47 -0.02 5.45 0.00 -1.26 -4.94 121.76 123.66 1sir s ALA 216 Ca 0.08 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 51.88 1sir s ALA 216 Cb -0.09 -2.73 0.01 0.00 0.00 0.00 0.00 23.12 20.30 1sir s ALA 216 CO 0.02 -0.11 -0.05 0.99 0.00 0.00 0.00 175.76 176.61 1sir s THR 217 N 0.86 0.50 0.00 0.00 2.01 -1.26 0.01 115.64 117.76 1sir s THR 217 Ca 0.27 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1sir s THR 217 Cb -0.16 -0.47 0.00 0.00 0.01 0.00 0.00 72.50 71.89 1sir s THR 217 CO 0.11 0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.83 1sir n GLY 218 N 3.41 2.57 3.90 4.40 0.00 0.02 -0.58 105.19 118.91 1sir n GLY 218 Ca -0.19 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 44.62 1sir n GLY 218 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sir s MET 219 N -0.89 2.35 -0.32 1.61 -1.94 -0.56 0.44 119.30 119.99 1sir s MET 219 Ca 0.00 -1.80 -0.01 0.00 -1.71 0.00 0.00 55.69 52.17 1sir s MET 219 Cb 0.00 -2.25 0.10 0.00 2.01 0.00 0.00 34.83 34.70 1sir s MET 219 CO 0.00 -0.46 0.11 0.42 -0.01 0.00 0.00 175.02 175.08 1sir s ILE 220 N -2.65 0.81 -0.22 2.53 1.01 0.04 -3.99 121.20 118.73 1sir s ILE 220 Ca 0.42 -1.42 -0.12 0.00 0.00 0.00 0.00 60.65 59.53 1sir s ILE 220 Cb -0.02 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 1sir s ILE 220 CO 0.25 -0.70 0.24 -0.63 0.00 0.00 0.00 174.94 174.10 1sir s ILE 221 N 1.57 5.31 -0.32 2.92 1.01 0.88 -1.73 121.20 130.85 1sir s ILE 221 Ca 0.10 0.35 -0.00 0.00 0.00 0.00 0.00 60.65 61.11 1sir s ILE 221 Cb -0.18 -3.57 0.07 0.00 0.01 0.00 0.00 42.46 38.79 1sir s ILE 221 CO -0.24 0.32 0.02 -0.04 0.00 0.00 0.00 174.94 175.00 1sir s MET 222 N 1.07 2.16 -0.79 2.79 -1.94 -0.59 -1.75 119.30 120.26 1sir s MET 222 Ca 0.11 -1.48 -0.10 0.00 -1.71 0.00 0.00 55.69 52.51 1sir s MET 222 Cb -0.14 -3.19 0.21 0.00 2.01 0.00 0.00 34.83 33.72 1sir s MET 222 CO 0.05 -0.74 0.69 -0.51 -0.01 0.00 0.00 175.02 174.50 1sir s ASP 223 N 1.27 6.34 -1.40 3.03 1.11 -0.09 -2.55 116.67 124.38 1sir s ASP 223 Ca -0.01 -2.80 -0.10 0.00 0.18 0.00 0.00 52.55 49.82 1sir s ASP 223 Cb -0.20 -2.10 0.03 0.00 1.07 0.00 0.00 42.92 41.71 1sir s ASP 223 CO -0.04 -0.50 1.13 0.61 1.18 0.00 0.00 175.17 177.56 1sir n GLY 224 N 3.74 -0.53 3.70 0.21 0.00 -1.05 -4.50 105.19 106.77 1sir n GLY 224 Ca 0.13 0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 1sir n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sir s VAL 225 N -3.32 3.85 -0.21 1.61 1.01 -0.86 -4.71 120.40 117.76 1sir s VAL 225 Ca 0.59 1.28 -0.15 0.00 0.00 0.00 0.00 61.98 63.70 1sir s VAL 225 Cb -0.27 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 1sir s VAL 225 CO 0.75 0.05 0.34 -0.70 0.00 0.00 0.00 175.10 175.54 1sir s GLU 226 N 1.70 4.15 -0.16 2.72 2.12 -1.26 0.14 118.70 128.11 1sir s GLU 226 Ca 0.61 0.09 -0.01 0.00 0.36 0.00 0.00 54.97 56.01 1sir s GLU 226 Cb -0.30 -3.54 -0.01 0.00 0.26 0.00 0.00 34.13 30.54 1sir s GLU 226 CO 0.27 -0.02 -0.12 0.08 -0.54 0.00 0.00 175.26 174.94 1sir s VAL 227 N 1.27 3.03 0.82 3.70 1.01 0.73 -4.97 120.40 125.99 1sir s VAL 227 Ca 0.16 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 1sir s VAL 227 Cb -0.14 -2.30 0.09 0.00 0.00 0.00 0.00 36.38 34.03 1sir s VAL 227 CO 0.07 0.50 1.15 -2.84 0.00 0.00 0.00 175.10 173.98 1sir s PRO 228 N 0.72 1.68 0.31 2.72 0.02 -1.26 -1.48 135.00 137.71 1sir s PRO 228 Ca -0.05 1.50 0.04 0.00 0.02 0.00 0.00 61.00 62.50 1sir s PRO 228 Cb -0.15 -1.81 0.50 0.00 0.02 0.00 0.00 34.50 33.06 1sir s PRO 228 CO 0.02 -2.13 1.79 0.93 -0.33 0.00 0.00 177.00 177.28 1sir h GLU 229 N -1.21 0.48 0.00 5.54 5.08 -1.88 -2.50 114.58 120.09 1sir h GLU 229 Ca -0.44 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 1sir h GLU 229 Cb 1.26 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1sir h GLU 229 CO 0.46 0.62 0.00 -0.85 -1.00 0.00 0.00 179.01 178.25 1sir n GLU 230 N -4.19 0.44 -0.29 2.33 0.00 -1.26 -1.89 120.64 115.78 1sir n GLU 230 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 57.16 57.26 1sir n GLU 230 Cb 0.34 -1.50 0.25 0.00 0.00 0.00 0.00 31.44 30.53 1sir n GLU 230 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1sir n ASN 231 N -1.01 3.51 -4.68 -1.84 5.03 -0.94 -4.91 115.26 110.43 1sir n ASN 231 Ca 0.11 -2.00 -0.38 0.00 0.87 0.00 0.00 54.58 53.18 1sir n ASN 231 Cb 0.05 -0.38 -0.08 0.00 -1.02 0.00 0.00 39.78 38.36 1sir n ASN 231 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1sir s VAL 232 N -1.00 5.22 -0.51 2.41 1.01 -0.79 -0.48 120.40 126.26 1sir s VAL 232 Ca 0.38 0.65 -0.27 0.00 0.00 0.00 0.00 61.98 62.74 1sir s VAL 232 Cb 0.20 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1sir s VAL 232 CO 0.26 0.28 2.01 -0.76 0.00 0.00 0.00 175.10 176.88 1sir s LEU 233 N 1.17 3.37 0.20 3.92 1.02 0.51 -4.81 118.68 124.06 1sir s LEU 233 Ca 0.18 0.79 0.16 0.00 0.02 0.00 0.00 54.13 55.28 1sir s LEU 233 Cb -0.14 -2.76 0.80 0.00 0.02 0.00 0.00 46.19 44.11 1sir s LEU 233 CO 0.07 -2.36 1.50 -0.81 0.02 0.00 0.00 176.35 174.77 1sir n PRO 234 N 8.97 0.10 0.01 1.29 -0.04 -1.19 -3.30 135.00 140.85 1sir n PRO 234 Ca 0.26 0.52 0.11 0.00 -0.04 0.00 0.00 63.50 64.34 1sir n PRO 234 Cb 0.51 -1.78 -0.09 0.00 -0.04 0.00 0.00 33.50 32.10 1sir n PRO 234 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sir n GLY 235 N -0.91 -1.07 3.34 0.55 0.00 0.12 -4.89 105.19 102.33 1sir n GLY 235 Ca 0.00 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 1sir n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sir s ALA 236 N -3.21 2.94 -1.04 4.61 0.00 -1.21 -4.91 121.76 118.93 1sir s ALA 236 Ca 0.02 -1.26 0.09 0.00 0.00 0.00 0.00 51.96 50.80 1sir s ALA 236 Cb 0.15 -1.90 0.08 0.00 0.00 0.00 0.00 23.12 21.45 1sir s ALA 236 CO 0.86 -0.61 0.80 0.43 0.00 0.00 0.00 175.76 177.24 1sir n SER 237 N 4.83 1.78 -2.17 0.00 7.64 -1.26 -4.29 113.62 120.15 1sir n SER 237 Ca -0.17 -1.40 -0.05 0.00 1.01 0.00 0.00 58.87 58.27 1sir n SER 237 Cb 0.50 -0.01 0.02 0.00 -1.01 0.00 0.00 64.21 63.70 1sir n SER 237 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1sir n SER 238 N 0.47 -1.34 0.04 6.43 2.88 -0.96 -3.03 113.62 118.11 1sir n SER 238 Ca 0.05 -1.88 0.02 0.00 -1.33 0.00 0.00 58.87 55.73 1sir n SER 238 Cb 0.23 2.21 0.10 0.00 -0.75 0.00 0.00 64.21 66.00 1sir n SER 238 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1sir n LEU 239 N 0.00 0.10 0.12 2.46 4.32 -1.26 -0.96 117.00 121.78 1sir n LEU 239 Ca -0.04 0.42 0.03 0.00 -0.02 0.00 0.00 56.01 56.40 1sir n LEU 239 Cb 0.36 -0.42 0.42 0.00 -1.62 0.00 0.00 43.42 42.16 1sir n LEU 239 CO 0.16 -0.46 0.94 1.23 -1.22 0.00 0.00 177.39 178.04 1sir h GLY 240 N 0.00 0.26 0.50 -0.72 0.00 -1.94 -1.43 103.07 99.74 1sir h GLY 240 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1sir h GLY 240 CO 0.00 0.14 -0.24 -1.33 0.00 0.00 0.00 176.54 175.10 1sir h GLY 241 N 0.64 -0.70 0.73 4.60 0.00 -1.42 -0.82 103.07 106.10 1sir h GLY 241 Ca 0.05 0.26 0.07 0.00 0.00 0.00 0.00 47.33 47.72 1sir h GLY 241 CO 0.01 -0.26 0.64 -0.56 0.00 0.00 0.00 176.54 176.37 1sir h PRO 242 N -0.83 1.09 -0.25 4.80 0.13 -1.73 -1.75 132.00 133.47 1sir h PRO 242 Ca -0.07 -0.07 -0.08 0.00 -0.87 0.00 0.00 66.00 64.92 1sir h PRO 242 Cb 0.52 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.39 1sir h PRO 242 CO 0.11 0.72 -0.18 0.74 -0.23 0.00 0.00 178.00 179.17 1sir h PHE 243 N 1.13 0.47 -0.68 1.56 0.04 -1.30 0.13 116.94 118.29 1sir h PHE 243 Ca 0.43 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 61.13 1sir h PHE 243 Cb 0.22 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 1sir h PHE 243 CO -0.00 0.60 0.44 0.78 -0.60 0.00 0.00 178.31 179.53 1sir h GLY 244 N 0.95 0.96 0.85 -1.45 0.00 -0.24 -0.70 103.07 103.44 1sir h GLY 244 Ca 0.07 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 1sir h GLY 244 CO 0.04 0.36 -0.07 0.00 0.00 0.00 0.00 176.54 176.86 1sir h LEU 246 N 0.23 0.79 -1.47 0.00 3.38 -0.22 -0.86 115.31 117.16 1sir h LEU 246 Ca 0.06 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1sir h LEU 246 Cb 0.54 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1sir h LEU 246 CO 0.03 0.37 -0.22 0.78 0.09 0.00 0.00 178.44 179.49 1sir h ASN 247 N 0.84 0.06 0.94 -0.43 4.21 -1.05 -0.01 115.58 120.14 1sir h ASN 247 Ca 0.50 -0.01 -0.17 0.00 1.21 0.00 0.00 56.30 57.83 1sir h ASN 247 Cb 0.62 -0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.77 1sir h ASN 247 CO -0.31 0.29 -0.82 0.78 -1.29 0.00 0.00 177.43 176.08 1sir h ASN 248 N 0.06 0.00 -0.05 5.81 2.35 -1.17 -2.51 115.58 120.06 1sir h ASN 248 Ca 0.01 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 1sir h ASN 248 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1sir h ASN 248 CO 0.03 0.82 -0.28 0.00 -1.65 0.00 0.00 177.43 176.35 1sir h ALA 249 N 1.18 0.11 -0.60 -0.83 0.00 -0.83 -3.07 119.26 115.22 1sir h ALA 249 Ca -0.01 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1sir h ALA 249 Cb 1.51 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1sir h ALA 249 CO 0.11 0.14 0.40 0.00 0.00 0.00 0.00 179.25 179.89 1sir h ARG 250 N -0.24 0.75 0.03 0.00 3.08 -1.05 -1.17 114.38 115.78 1sir h ARG 250 Ca -0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1sir h ARG 250 Cb 0.94 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 1sir h ARG 250 CO 0.06 0.50 -0.03 -0.92 -1.07 0.00 0.00 179.97 178.51 1sir h TYR 251 N 0.77 -0.07 -0.34 3.04 5.03 -1.45 -1.06 116.97 122.90 1sir h TYR 251 Ca 0.23 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.50 1sir h TYR 251 Cb -0.02 0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.27 1sir h TYR 251 CO -0.00 -0.05 0.02 0.78 -1.32 0.00 0.00 178.16 177.60 1sir h GLY 252 N -0.07 0.55 1.44 1.82 0.00 -1.27 -2.51 103.07 103.04 1sir h GLY 252 Ca 0.00 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 46.94 1sir h GLY 252 CO -0.01 0.29 -0.11 -2.22 0.00 0.00 0.00 176.54 174.50 1sir h ILE 253 N 0.50 1.25 -0.72 2.60 2.04 -0.86 0.14 117.51 122.46 1sir h ILE 253 Ca 0.11 -1.11 0.02 0.00 1.00 0.00 0.00 64.86 64.89 1sir h ILE 253 Cb 0.29 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1sir h ILE 253 CO 0.01 0.37 0.46 0.00 0.00 0.00 0.00 178.15 178.99 1sir h ALA 254 N 1.27 0.94 0.50 1.87 0.00 -0.74 -2.31 119.26 120.78 1sir h ALA 254 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1sir h ALA 254 Cb 0.54 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1sir h ALA 254 CO 0.03 0.27 -0.24 -1.49 0.00 0.00 0.00 179.25 177.82 1sir h TRP 255 N 0.91 -0.62 -0.23 0.00 4.06 -1.40 -3.37 115.95 115.31 1sir h TRP 255 Ca 0.28 -0.01 0.02 0.00 2.06 0.00 0.00 58.89 61.24 1sir h TRP 255 Cb -0.02 0.20 -0.03 0.00 -1.00 0.00 0.00 29.16 28.32 1sir h TRP 255 CO -0.03 -0.38 -0.14 0.41 -3.56 0.00 0.00 178.44 174.74 1sir n GLY 256 N 0.08 -1.78 0.38 1.49 0.00 0.46 -0.35 105.19 105.47 1sir n GLY 256 Ca -0.08 0.50 0.18 0.00 0.00 0.00 0.00 46.02 46.61 1sir n GLY 256 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1sir h VAL 257 N 0.00 0.16 -0.06 1.61 -1.51 -1.59 0.25 116.25 115.11 1sir h VAL 257 Ca 0.04 0.00 -0.12 0.00 -1.23 0.00 0.00 66.70 65.39 1sir h VAL 257 Cb 0.09 0.50 -0.01 0.00 -2.13 0.00 0.00 31.29 29.74 1sir h VAL 257 CO -0.22 0.00 -0.50 -0.07 -1.23 0.00 0.00 177.57 175.55 1sir h LEU 258 N 0.00 0.17 -0.45 4.19 3.38 -0.86 -0.41 115.31 121.33 1sir h LEU 258 Ca 0.15 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1sir h LEU 258 Cb 1.29 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1sir h LEU 258 CO -0.00 0.65 -0.23 1.23 0.09 0.00 0.00 178.44 180.18 1sir h GLY 259 N 1.41 1.03 0.99 0.83 0.00 -0.56 0.66 103.07 107.42 1sir h GLY 259 Ca 0.00 -0.93 -0.00 0.00 0.00 0.00 0.00 47.33 46.40 1sir h GLY 259 CO 0.07 0.85 0.29 0.00 0.00 0.00 0.00 176.54 177.75 1sir h ALA 260 N 0.84 0.61 -0.20 3.60 0.00 -1.39 -0.71 119.26 122.01 1sir h ALA 260 Ca 0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1sir h ALA 260 Cb 0.80 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1sir h ALA 260 CO 0.07 0.10 0.10 0.77 0.00 0.00 0.00 179.25 180.29 1sir h SER 261 N 0.64 0.26 -0.74 0.00 0.02 -0.86 -2.41 113.55 110.45 1sir h SER 261 Ca 0.17 -0.11 0.09 0.00 -0.84 0.00 0.00 61.79 61.10 1sir h SER 261 Cb -0.00 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.40 1sir h SER 261 CO -0.03 0.30 0.40 -0.33 -1.14 0.00 0.00 176.83 176.03 1sir h GLU 262 N 0.20 0.67 -0.87 3.45 5.08 -0.51 0.56 114.58 123.16 1sir h GLU 262 Ca 0.07 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1sir h GLU 262 Cb 0.11 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1sir h GLU 262 CO -0.01 0.44 0.57 0.35 -1.00 0.00 0.00 179.01 179.37 1sir h PHE 263 N 0.69 1.09 -0.27 4.33 3.04 -0.88 -1.00 116.94 123.94 1sir h PHE 263 Ca 0.36 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.31 1sir h PHE 263 Cb 0.33 -0.37 -0.01 0.00 2.56 0.00 0.00 35.95 38.46 1sir h PHE 263 CO -0.09 0.68 0.07 0.00 -2.02 0.00 0.00 178.31 176.96 1sir h LEU 265 N 0.27 0.32 -0.52 0.00 5.85 -0.60 0.14 115.31 120.76 1sir h LEU 265 Ca 0.09 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1sir h LEU 265 Cb 0.27 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1sir h LEU 265 CO -0.00 0.22 0.14 0.45 -0.34 0.00 0.00 178.44 178.92 1sir h HIS 266 N 0.45 0.86 -0.27 1.25 3.86 -1.09 0.17 115.15 120.38 1sir h HIS 266 Ca 0.21 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.28 1sir h HIS 266 Cb 0.13 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 1sir h HIS 266 CO -0.11 0.75 0.00 1.15 0.86 0.00 0.00 177.93 180.58 1sir h THR 267 N 0.73 1.26 -0.08 2.45 2.02 -0.85 -1.70 112.91 116.73 1sir h THR 267 Ca 0.17 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 1sir h THR 267 Cb 0.31 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1sir h THR 267 CO -0.00 0.29 0.05 0.00 0.37 0.00 0.00 175.52 176.23 1sir h ALA 268 N 0.82 0.11 -0.18 6.16 0.00 -0.55 -1.23 119.26 124.38 1sir h ALA 268 Ca 0.08 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1sir h ALA 268 Cb 0.42 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1sir h ALA 268 CO 0.01 -0.37 -0.17 -0.09 0.00 0.00 0.00 179.25 178.63 1sir h ARG 269 N 0.07 -0.18 -0.24 0.00 2.43 -0.59 -0.10 114.38 115.77 1sir h ARG 269 Ca 0.03 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1sir h ARG 269 Cb 0.04 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1sir h ARG 269 CO -0.01 -0.12 0.11 1.96 -1.51 0.00 0.00 179.97 180.40 1sir h GLN 270 N -0.19 0.23 -0.89 0.20 1.08 -1.18 -1.76 115.11 112.60 1sir h GLN 270 Ca 0.11 -0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.40 1sir h GLN 270 Cb 0.36 -0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.67 1sir h GLN 270 CO -0.29 0.15 0.58 -0.92 -0.95 0.00 0.00 178.83 177.39 1sir h TYR 271 N 0.23 0.96 -0.02 2.96 3.20 -0.82 0.21 116.97 123.69 1sir h TYR 271 Ca 0.10 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 1sir h TYR 271 Cb 0.04 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 1sir h TYR 271 CO -0.10 0.44 -0.30 0.00 -1.64 0.00 0.00 178.16 176.56 1sir h ALA 272 N 1.55 1.47 0.20 1.82 0.00 -0.18 0.11 119.26 124.23 1sir h ALA 272 Ca 0.41 -0.28 -0.34 0.00 0.00 0.00 0.00 54.91 54.70 1sir h ALA 272 Cb 0.40 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.15 1sir h ALA 272 CO -0.18 0.40 -1.63 -0.07 0.00 0.00 0.00 179.25 177.77 1sir h LEU 273 N 0.04 0.68 0.23 0.00 3.38 -0.30 0.18 115.31 119.51 1sir h LEU 273 Ca 0.00 -0.88 -0.32 0.00 0.09 0.00 0.00 57.88 56.77 1sir h LEU 273 Cb 0.55 -0.22 0.03 0.00 0.09 0.00 0.00 40.66 41.11 1sir h LEU 273 CO 0.04 1.72 -1.46 0.44 0.09 0.00 0.00 178.44 179.28 1sir h ASP 274 N 0.12 0.76 -3.68 -0.43 3.45 -0.57 -3.46 116.42 112.61 1sir h ASP 274 Ca -0.30 -0.93 -0.51 0.00 0.43 0.00 0.00 57.03 55.73 1sir h ASP 274 Cb 2.12 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 40.64 1sir h ASP 274 CO 0.21 1.69 0.45 -0.60 -1.57 0.00 0.00 179.24 179.42 1sir s ARG 275 N -2.57 4.66 -0.01 3.56 6.06 0.36 -4.99 118.95 126.02 1sir s ARG 275 Ca -0.11 1.69 0.03 0.00 -2.50 0.00 0.00 55.73 54.84 1sir s ARG 275 Cb 0.04 -3.25 -0.00 0.00 0.06 0.00 0.00 34.95 31.79 1sir s ARG 275 CO 0.92 0.21 -0.09 -1.64 -2.50 0.00 0.00 175.30 172.19 1sir s MET 276 N -0.86 0.85 -0.00 5.12 -1.94 -1.26 -1.57 119.30 119.64 1sir s MET 276 Ca 0.46 -0.33 -0.07 0.00 -1.71 0.00 0.00 55.69 54.04 1sir s MET 276 Cb -0.29 -0.81 0.00 0.00 2.01 0.00 0.00 34.83 35.74 1sir s MET 276 CO 0.36 0.17 0.13 -0.65 -0.01 0.00 0.00 175.02 175.03 1sir s GLN 277 N -0.07 0.46 -1.75 2.03 -1.52 -0.63 -4.84 119.66 113.33 1sir s GLN 277 Ca 0.01 -0.36 0.00 0.00 -1.95 0.00 0.00 55.36 53.06 1sir s GLN 277 Cb -0.05 0.19 0.00 0.00 -0.22 0.00 0.00 33.01 32.93 1sir s GLN 277 CO -0.00 -0.11 0.00 1.19 -0.25 0.00 0.00 175.29 176.12 1sir n PHE 278 N 1.56 -1.02 0.00 0.91 3.72 -1.26 -3.04 117.46 118.33 1sir n PHE 278 Ca -0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 1sir n PHE 278 Cb 0.56 -3.90 0.00 0.00 -0.94 0.00 0.00 39.48 35.20 1sir n PHE 278 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sir n GLY 279 N -0.99 2.50 4.02 1.37 0.00 -1.26 -5.00 105.19 105.82 1sir n GLY 279 Ca -0.24 -0.54 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 1sir n GLY 279 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sir s VAL 280 N -0.00 2.75 0.47 1.61 -7.23 -1.17 -5.01 120.40 111.81 1sir s VAL 280 Ca 0.00 -0.99 -0.22 0.00 -1.81 0.00 0.00 61.98 58.96 1sir s VAL 280 Cb 0.00 -2.76 -0.08 0.00 0.56 0.00 0.00 36.38 34.10 1sir s VAL 280 CO 0.00 0.00 1.09 -2.16 -0.31 0.00 0.00 175.10 173.72 1sir s PRO 281 N -4.45 3.79 0.41 4.82 0.04 -1.26 -1.61 135.00 136.73 1sir s PRO 281 Ca 0.57 1.54 0.16 0.00 0.04 0.00 0.00 61.00 63.31 1sir s PRO 281 Cb -0.09 -2.25 1.05 0.00 0.04 0.00 0.00 34.50 33.25 1sir s PRO 281 CO 0.35 -0.47 1.86 -0.07 0.04 0.00 0.00 177.00 178.70 1sir h LEU 282 N 1.82 0.44 0.00 -3.56 3.38 -0.71 -0.90 115.31 115.77 1sir h LEU 282 Ca -0.49 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1sir h LEU 282 Cb 1.23 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1sir h LEU 282 CO 0.60 0.18 0.00 0.00 0.09 0.00 0.00 178.44 179.31 1sir n ALA 283 N -2.50 1.19 0.47 1.53 0.00 0.59 -1.56 120.51 120.22 1sir n ALA 283 Ca 0.19 -0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.75 1sir n ALA 283 Cb 0.67 -1.01 0.19 0.00 0.00 0.00 0.00 19.45 19.30 1sir n ALA 283 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1sir h ARG 284 N 0.00 0.00 -6.49 0.00 1.12 -1.44 -3.43 114.38 104.15 1sir h ARG 284 Ca 0.00 0.00 -0.53 0.00 -1.11 0.00 0.00 59.98 58.34 1sir h ARG 284 Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 29.93 1sir h ARG 284 CO 0.00 0.00 0.18 -0.80 -3.11 0.00 0.00 179.97 176.24 1sir s ASN 285 N -4.68 7.36 0.25 -3.80 0.01 -0.60 -4.97 114.94 108.51 1sir s ASN 285 Ca 0.06 1.62 -0.04 0.00 -0.71 0.00 0.00 52.86 53.78 1sir s ASN 285 Cb 0.12 -2.50 0.38 0.00 0.41 0.00 0.00 41.25 39.66 1sir s ASN 285 CO 0.70 0.17 1.83 1.56 -1.51 0.00 0.00 177.10 179.85 1sir h GLN 286 N 4.59 0.86 -0.87 -0.60 4.20 -1.90 -2.09 115.11 119.31 1sir h GLN 286 Ca -0.46 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.21 1sir h GLN 286 Cb 1.21 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 28.75 1sir h GLN 286 CO 0.67 0.57 0.57 -0.07 -0.67 0.00 0.00 178.83 179.90 1sir h LEU 287 N 0.89 0.99 -0.16 1.46 4.07 -1.95 -1.75 115.31 118.85 1sir h LEU 287 Ca 0.39 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.31 1sir h LEU 287 Cb 0.28 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 1sir h LEU 287 CO -0.21 0.71 0.01 0.40 -1.08 0.00 0.00 178.44 178.26 1sir h ILE 288 N 1.16 1.24 -0.81 1.22 1.08 -1.72 -3.12 117.51 116.57 1sir h ILE 288 Ca 0.32 -0.81 -0.00 0.00 -0.39 0.00 0.00 64.86 63.98 1sir h ILE 288 Cb -0.12 1.47 -0.04 0.00 -3.07 0.00 0.00 36.82 35.06 1sir h ILE 288 CO -0.07 0.24 0.50 1.56 -0.69 0.00 0.00 178.15 179.69 1sir h GLN 289 N 0.03 1.09 -0.74 2.37 4.20 -1.16 -2.32 115.11 118.59 1sir h GLN 289 Ca 0.05 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1sir h GLN 289 Cb 0.36 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 1sir h GLN 289 CO 0.01 0.76 0.45 -0.22 -0.67 0.00 0.00 178.83 179.15 1sir h LYS 290 N 1.11 0.99 -0.16 1.46 3.64 -1.34 -0.86 116.57 121.40 1sir h LYS 290 Ca 0.29 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1sir h LYS 290 Cb -0.07 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 1sir h LYS 290 CO -0.06 0.69 0.07 0.87 -2.27 0.00 0.00 179.45 178.75 1sir h LYS 291 N 1.01 0.23 -0.87 1.90 1.57 -1.37 -1.04 116.57 117.99 1sir h LYS 291 Ca 0.27 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1sir h LYS 291 Cb -0.05 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 1sir h LYS 291 CO -0.05 0.28 0.57 -0.07 -0.57 0.00 0.00 179.45 179.61 1sir h LEU 292 N 0.12 0.93 -0.12 2.94 3.38 -0.96 -1.40 115.31 120.19 1sir h LEU 292 Ca 0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1sir h LEU 292 Cb 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1sir h LEU 292 CO -0.01 0.63 0.06 0.00 0.09 0.00 0.00 178.44 179.22 1sir h ALA 293 N 1.50 0.15 -0.82 1.53 0.00 -0.63 -2.25 119.26 118.73 1sir h ALA 293 Ca 0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1sir h ALA 293 Cb 0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1sir h ALA 293 CO -0.11 -0.31 0.49 -0.44 0.00 0.00 0.00 179.25 178.88 1sir h ASP 294 N 0.09 0.99 0.67 0.00 3.32 -0.57 -0.78 116.42 120.13 1sir h ASP 294 Ca 0.04 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1sir h ASP 294 Cb 0.08 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.39 1sir h ASP 294 CO -0.01 0.76 -0.32 0.24 -1.72 0.00 0.00 179.24 178.19 1sir h MET 295 N 1.14 -0.86 -0.88 3.56 2.86 -1.09 -2.21 114.93 117.44 1sir h MET 295 Ca 0.30 0.06 0.13 0.00 -2.06 0.00 0.00 59.70 58.12 1sir h MET 295 Cb -0.04 0.20 -0.09 0.00 0.06 0.00 0.00 31.60 31.72 1sir h MET 295 CO -0.06 -0.54 0.50 1.25 1.06 0.00 0.00 176.91 179.12 1sir h LEU 296 N -1.01 0.67 0.18 1.22 5.85 -1.26 -0.85 115.31 120.11 1sir h LEU 296 Ca -0.09 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.70 1sir h LEU 296 Cb 0.71 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1sir h LEU 296 CO 0.15 0.33 -0.20 0.74 -0.34 0.00 0.00 178.44 179.12 1sir h THR 297 N 0.75 0.57 -0.68 1.05 2.02 -1.03 -1.19 112.91 114.40 1sir h THR 297 Ca 0.46 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.56 1sir h THR 297 Cb 0.55 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1sir h THR 297 CO -0.31 0.00 0.12 -0.33 0.37 0.00 0.00 175.52 175.37 1sir h GLU 298 N -0.42 1.12 -0.15 6.66 4.39 -0.89 -2.53 114.58 122.77 1sir h GLU 298 Ca 0.00 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1sir h GLU 298 Cb 0.40 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1sir h GLU 298 CO -0.06 1.02 0.09 0.82 -1.16 0.00 0.00 179.01 179.73 1sir h ILE 299 N 1.05 1.03 -0.20 3.13 2.04 -0.99 -2.45 117.51 121.12 1sir h ILE 299 Ca 0.21 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 66.03 1sir h ILE 299 Cb 0.44 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1sir h ILE 299 CO 0.01 0.04 0.01 0.74 0.00 0.00 0.00 178.15 178.95 1sir h THR 300 N 0.19 0.87 -0.92 -0.27 2.02 -1.08 -0.30 112.91 113.43 1sir h THR 300 Ca 0.06 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 67.27 1sir h THR 300 Cb -0.01 0.79 -0.06 0.00 -1.74 0.00 0.00 68.15 67.12 1sir h THR 300 CO -0.02 0.01 0.59 -0.07 0.37 0.00 0.00 175.52 176.40 1sir h LEU 301 N 0.08 0.94 -0.40 2.58 3.38 -1.37 -2.46 115.31 118.05 1sir h LEU 301 Ca 0.09 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1sir h LEU 301 Cb 0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1sir h LEU 301 CO -0.15 0.61 -0.04 1.23 0.09 0.00 0.00 178.44 180.18 1sir h GLY 302 N 1.08 0.80 0.76 0.83 0.00 -0.93 -2.54 103.07 103.08 1sir h GLY 302 Ca 0.39 -0.62 0.01 0.00 0.00 0.00 0.00 47.33 47.11 1sir h GLY 302 CO -0.16 0.57 -0.13 1.41 0.00 0.00 0.00 176.54 178.23 1sir h LEU 303 N 0.56 -0.35 -1.11 3.11 3.38 -0.62 -0.10 115.31 120.18 1sir h LEU 303 Ca 0.11 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1sir h LEU 303 Cb 0.54 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1sir h LEU 303 CO 0.03 -0.19 -0.26 0.45 0.09 0.00 0.00 178.44 178.56 1sir h HIS 304 N -0.25 0.00 -0.09 1.13 3.86 -1.53 -1.64 115.15 116.63 1sir h HIS 304 Ca 0.02 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.14 1sir h HIS 304 Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1sir h HIS 304 CO -0.15 0.26 -0.30 0.00 0.86 0.00 0.00 177.93 178.59 1sir h ALA 305 N 1.74 0.16 -0.75 2.45 0.00 -1.13 -2.87 119.26 118.87 1sir h ALA 305 Ca -0.00 -0.43 0.06 0.00 0.00 0.00 0.00 54.91 54.55 1sir h ALA 305 Cb 0.76 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1sir h ALA 305 CO 0.03 0.19 0.43 0.00 0.00 0.00 0.00 179.25 179.91 1sir h LEU 307 N 0.78 -0.74 -0.30 0.00 5.85 -1.28 -0.85 115.31 118.77 1sir h LEU 307 Ca 0.33 0.10 0.07 0.00 0.84 0.00 0.00 57.88 59.23 1sir h LEU 307 Cb 0.20 0.30 -0.08 0.00 0.37 0.00 0.00 40.66 41.46 1sir h LEU 307 CO -0.19 -0.32 -0.22 -0.61 -0.34 0.00 0.00 178.44 176.76 1sir h GLN 308 N -0.39 -0.18 -0.65 1.25 5.75 -1.20 -1.13 115.11 118.54 1sir h GLN 308 Ca 0.06 0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.63 1sir h GLN 308 Cb 0.47 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 29.01 1sir h GLN 308 CO -0.22 -0.12 0.35 1.25 -2.65 0.00 0.00 178.83 177.44 1sir h LEU 309 N -0.19 0.51 -0.76 -2.39 5.85 -1.06 0.58 115.31 117.85 1sir h LEU 309 Ca 0.16 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.97 1sir h LEU 309 Cb 0.44 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 1sir h LEU 309 CO -0.42 0.32 0.45 1.23 -0.34 0.00 0.00 178.44 179.69 1sir h GLY 310 N 0.64 1.13 1.11 3.75 0.00 -0.06 0.32 103.07 109.96 1sir h GLY 310 Ca 0.30 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 47.17 1sir h GLY 310 CO -0.19 0.21 -0.21 3.21 0.00 0.00 0.00 176.54 179.55 1sir h ARG 311 N 0.82 1.01 -0.05 4.80 2.47 -0.26 -2.06 114.38 121.11 1sir h ARG 311 Ca 0.34 -0.43 -0.08 0.00 -1.26 0.00 0.00 59.98 58.54 1sir h ARG 311 Cb 0.18 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1sir h ARG 311 CO -0.18 1.11 -0.36 -0.07 0.56 0.00 0.00 179.97 181.04 1sir h LEU 312 N 0.87 0.09 0.01 3.04 3.38 -0.07 -2.80 115.31 119.82 1sir h LEU 312 Ca 0.11 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1sir h LEU 312 Cb 0.79 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1sir h LEU 312 CO 0.07 0.45 -0.00 0.50 0.09 0.00 0.00 178.44 179.54 1sir h LYS 313 N 0.08 -0.01 0.00 1.13 3.64 -0.12 0.31 116.57 121.59 1sir h LYS 313 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1sir h LYS 313 Cb 0.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1sir h LYS 313 CO 0.05 0.40 0.00 -0.44 -2.27 0.00 0.00 179.45 177.19 1sir h ASP 314 N -0.42 0.00 -0.17 4.20 3.32 -1.30 0.27 116.42 122.32 1sir h ASP 314 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sir h ASP 314 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1sir h ASP 314 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1sir n GLN 315 N -2.82 2.04 -3.61 3.56 6.02 -0.95 -4.93 117.38 116.69 1sir n GLN 315 Ca -0.02 -1.55 -0.24 0.00 -0.01 0.00 0.00 57.00 55.18 1sir n GLN 315 Cb 0.08 -1.46 0.07 0.00 1.02 0.00 0.00 30.24 29.96 1sir n GLN 315 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1sir n ASP 316 N 0.81 -5.38 0.00 1.08 10.43 0.95 -4.88 116.55 119.56 1sir n ASP 316 Ca 0.17 -0.59 0.00 0.00 2.57 0.00 0.00 54.79 56.94 1sir n ASP 316 Cb 0.46 -4.89 0.00 0.00 1.84 0.00 0.00 41.12 38.54 1sir n ASP 316 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1sir n LYS 317 N -4.82 0.57 -3.08 -1.24 4.01 0.10 -5.02 118.16 108.68 1sir n LYS 317 Ca -0.04 -0.76 -0.39 0.00 -0.51 0.00 0.00 58.31 56.60 1sir n LYS 317 Cb 0.58 -0.87 -0.05 0.00 -0.51 0.00 0.00 35.03 34.17 1sir n LYS 317 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1sir s ALA 318 N -0.33 3.37 0.10 7.82 0.00 -1.10 -4.86 121.76 126.76 1sir s ALA 318 Ca 0.00 0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.12 1sir s ALA 318 Cb 0.00 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1sir s ALA 318 CO 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 175.76 175.77 1sir s ALA 319 N 0.55 3.44 0.28 0.00 0.00 -1.26 -4.97 121.76 119.79 1sir s ALA 319 Ca 0.36 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1sir s ALA 319 Cb -0.18 -1.31 0.65 0.00 0.00 0.00 0.00 23.12 22.28 1sir s ALA 319 CO 0.18 0.69 1.66 -1.35 0.00 0.00 0.00 175.76 176.94 1sir h PRO 320 N 3.23 0.23 -0.72 0.00 0.11 -1.99 0.23 132.00 133.08 1sir h PRO 320 Ca -0.47 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.68 1sir h PRO 320 Cb 1.17 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 1sir h PRO 320 CO 0.63 0.15 0.43 0.93 -0.21 0.00 0.00 178.00 179.93 1sir h GLU 321 N 0.23 0.78 -0.74 1.05 3.07 -1.96 -0.49 114.58 116.52 1sir h GLU 321 Ca 0.52 -0.05 0.12 0.00 -0.50 0.00 0.00 59.36 59.45 1sir h GLU 321 Cb 1.01 -0.18 -0.08 0.00 -0.84 0.00 0.00 28.75 28.66 1sir h GLU 321 CO -0.62 0.52 0.34 0.52 -1.40 0.00 0.00 179.01 178.36 1sir h MET 322 N 0.80 0.51 -0.31 2.33 2.86 -1.35 0.22 114.93 119.99 1sir h MET 322 Ca 0.31 -0.03 -0.17 0.00 -2.06 0.00 0.00 59.70 57.76 1sir h MET 322 Cb 0.14 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 1sir h MET 322 CO -0.16 0.34 -0.47 0.28 1.06 0.00 0.00 176.91 177.96 1sir h VAL 323 N 0.53 1.28 -0.96 -2.22 2.07 -1.20 -2.56 116.25 113.19 1sir h VAL 323 Ca 0.39 -1.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.26 1sir h VAL 323 Cb 0.52 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 1sir h VAL 323 CO -0.34 0.54 0.59 0.28 0.02 0.00 0.00 177.57 178.66 1sir h SER 324 N 0.66 1.14 -0.21 0.57 0.02 0.18 0.51 113.55 116.42 1sir h SER 324 Ca 0.04 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1sir h SER 324 Cb 1.05 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 1sir h SER 324 CO 0.10 0.86 0.12 0.25 -1.14 0.00 0.00 176.83 177.03 1sir h LEU 325 N 1.31 0.25 -0.08 5.07 6.46 -0.36 -0.92 115.31 127.04 1sir h LEU 325 Ca 0.34 -0.05 -0.23 0.00 -0.12 0.00 0.00 57.88 57.82 1sir h LEU 325 Cb -0.08 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.78 1sir h LEU 325 CO -0.07 0.23 -1.04 -0.07 -0.62 0.00 0.00 178.44 176.88 1sir h LEU 326 N 0.25 0.34 -0.18 2.25 3.38 -1.20 -2.35 115.31 117.79 1sir h LEU 326 Ca 0.07 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1sir h LEU 326 Cb 0.03 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1sir h LEU 326 CO -0.01 1.17 0.03 0.50 0.09 0.00 0.00 178.44 180.22 1sir h LYS 327 N 0.11 0.29 0.12 1.13 3.11 -0.84 0.17 116.57 120.65 1sir h LYS 327 Ca -0.08 -0.08 -0.01 0.00 -2.81 0.00 0.00 60.65 57.68 1sir h LYS 327 Cb 1.72 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.91 1sir h LYS 327 CO 0.16 0.45 -0.06 -0.09 -2.81 0.00 0.00 179.45 177.11 1sir h ARG 328 N 0.08 -0.15 0.23 1.90 2.43 -1.24 -1.84 114.38 115.79 1sir h ARG 328 Ca 0.05 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1sir h ARG 328 Cb 0.30 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1sir h ARG 328 CO 0.00 -0.04 -0.16 -0.97 -1.51 0.00 0.00 179.97 177.29 1sir h ASN 329 N -0.22 -0.42 -0.98 -3.80 -1.24 -1.34 -2.44 115.58 105.15 1sir h ASN 329 Ca -0.02 0.03 0.16 0.00 0.71 0.00 0.00 56.30 57.18 1sir h ASN 329 Cb 0.17 0.13 -0.09 0.00 0.73 0.00 0.00 38.32 39.26 1sir h ASN 329 CO 0.03 -0.24 0.61 0.78 -1.29 0.00 0.00 177.43 177.32 1sir h ASN 330 N -0.37 0.78 -0.35 1.15 -0.26 -1.02 -0.35 115.58 115.16 1sir h ASN 330 Ca -0.03 0.07 -0.13 0.00 -0.56 0.00 0.00 56.30 55.65 1sir h ASN 330 Cb 0.31 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 1sir h ASN 330 CO 0.02 0.34 -0.27 0.00 -1.06 0.00 0.00 177.43 176.47 1sir h GLY 332 N 0.91 -0.17 0.88 0.00 0.00 -0.79 -2.83 103.07 101.06 1sir h GLY 332 Ca 0.09 0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.52 1sir h GLY 332 CO 0.07 -0.06 0.52 0.50 0.00 0.00 0.00 176.54 177.57 1sir h LYS 333 N -0.61 0.99 -0.81 4.80 6.56 -1.11 -2.04 116.57 124.35 1sir h LYS 333 Ca -0.02 -0.06 0.09 0.00 -1.06 0.00 0.00 60.65 59.61 1sir h LYS 333 Cb 0.47 -0.22 -0.07 0.00 -0.57 0.00 0.00 32.23 31.84 1sir h LYS 333 CO 0.03 0.65 0.46 0.00 -2.06 0.00 0.00 179.45 178.53 1sir h ALA 334 N 1.34 1.14 -0.01 3.86 0.00 -1.04 -1.80 119.26 122.75 1sir h ALA 334 Ca 0.33 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.29 1sir h ALA 334 Cb 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1sir h ALA 334 CO -0.11 0.08 -0.12 -0.07 0.00 0.00 0.00 179.25 179.03 1sir h LEU 335 N 0.77 -0.34 -1.14 0.00 3.38 -1.12 -0.79 115.31 116.08 1sir h LEU 335 Ca 0.39 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.46 1sir h LEU 335 Cb 0.36 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 1sir h LEU 335 CO -0.25 -0.17 0.59 0.44 0.09 0.00 0.00 178.44 179.15 1sir h ASP 336 N -0.20 0.94 -0.08 -0.43 3.32 -1.16 -0.82 116.42 117.99 1sir h ASP 336 Ca 0.04 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1sir h ASP 336 Cb 0.26 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 1sir h ASP 336 CO -0.12 0.62 0.03 0.40 -1.72 0.00 0.00 179.24 178.45 1sir h ILE 337 N 1.08 1.17 -0.28 0.35 2.04 -0.87 0.40 117.51 121.40 1sir h ILE 337 Ca 0.38 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.78 1sir h ILE 337 Cb 0.12 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1sir h ILE 337 CO -0.13 0.14 0.02 0.00 0.00 0.00 0.00 178.15 178.18 1sir h ALA 338 N 0.84 0.26 -0.69 1.87 0.00 -0.63 -0.11 119.26 120.80 1sir h ALA 338 Ca 0.03 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1sir h ALA 338 Cb 0.20 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1sir h ALA 338 CO -0.00 -0.40 0.39 0.00 0.00 0.00 0.00 179.25 179.24 1sir h ARG 339 N 0.11 0.94 -0.37 0.00 3.08 -0.97 -0.16 114.38 117.01 1sir h ARG 339 Ca 0.13 -0.10 -0.15 0.00 0.07 0.00 0.00 59.98 59.93 1sir h ARG 339 Cb 0.16 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1sir h ARG 339 CO -0.20 0.69 -0.37 1.96 -1.07 0.00 0.00 179.97 180.97 1sir h GLN 340 N 0.95 0.88 -0.36 0.04 1.08 -0.42 -2.45 115.11 114.83 1sir h GLN 340 Ca 0.24 -0.45 0.02 0.00 -1.45 0.00 0.00 58.65 57.01 1sir h GLN 340 Cb 0.01 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1sir h GLN 340 CO -0.04 1.09 0.21 0.00 -0.95 0.00 0.00 178.83 179.14 1sir h ALA 341 N 0.85 0.45 -0.35 3.87 0.00 -0.24 -0.33 119.26 123.51 1sir h ALA 341 Ca 0.06 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1sir h ALA 341 Cb 0.95 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1sir h ALA 341 CO 0.09 -0.14 0.12 -0.09 0.00 0.00 0.00 179.25 179.23 1sir h ARG 342 N 0.43 0.26 -0.25 0.00 1.12 -0.94 -1.66 114.38 113.34 1sir h ARG 342 Ca 0.14 -0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.96 1sir h ARG 342 Cb 0.01 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 29.89 1sir h ARG 342 CO -0.07 0.17 0.00 0.22 -3.11 0.00 0.00 179.97 177.19 1sir h ASP 343 N 0.27 0.34 0.90 -3.80 1.82 -0.94 -2.75 116.42 112.25 1sir h ASP 343 Ca 0.16 -0.05 -0.06 0.00 -0.39 0.00 0.00 57.03 56.69 1sir h ASP 343 Cb 0.14 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.05 1sir h ASP 343 CO -0.17 0.40 -0.28 0.24 -1.61 0.00 0.00 179.24 177.82 1sir h MET 344 N 0.36 0.00 -0.01 0.28 2.86 -0.12 -2.81 114.93 115.50 1sir h MET 344 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1sir h MET 344 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1sir h MET 344 CO 0.01 0.28 -0.04 1.28 1.06 0.00 0.00 176.91 179.50 1sir n LEU 345 N -3.45 0.96 0.00 1.22 4.77 -1.00 -4.97 117.00 114.54 1sir n LEU 345 Ca -0.00 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 1sir n LEU 345 Cb 0.46 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1sir n LEU 345 CO 0.35 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 1sir n GLY 346 N 1.17 2.22 0.29 -0.72 0.00 -1.06 -2.78 105.19 104.31 1sir n GLY 346 Ca 0.19 -0.48 0.06 0.00 0.00 0.00 0.00 46.02 45.79 1sir n GLY 346 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sir h GLY 347 N 0.00 1.23 1.01 -0.02 0.00 -1.91 0.89 103.07 104.27 1sir h GLY 347 Ca 0.00 -0.17 0.10 0.00 0.00 0.00 0.00 47.33 47.26 1sir h GLY 347 CO 0.00 -0.10 0.42 3.43 0.00 0.00 0.00 176.54 180.29 1sir h ASN 348 N 0.48 0.39 -0.22 0.19 2.35 -1.90 -2.43 115.58 114.43 1sir h ASN 348 Ca 0.44 0.01 0.06 0.00 -0.55 0.00 0.00 56.30 56.26 1sir h ASN 348 Cb 0.67 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1sir h ASN 348 CO -0.41 0.23 0.42 1.23 -1.65 0.00 0.00 177.43 177.25 1sir h GLY 349 N 0.43 0.00 -0.72 2.83 0.00 -0.76 -0.55 103.07 104.30 1sir h GLY 349 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1sir h GLY 349 CO -0.08 0.00 0.00 0.29 0.00 0.00 0.00 176.54 176.75 1sir n ILE 350 N -3.29 0.14 -3.54 2.60 -5.35 -0.92 -3.79 119.36 105.21 1sir n ILE 350 Ca 0.03 -0.32 -0.37 0.00 -0.27 0.00 0.00 62.75 61.82 1sir n ILE 350 Cb 0.53 0.43 -0.08 0.00 -1.74 0.00 0.00 39.64 38.78 1sir n ILE 350 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1sir s SER 351 N -1.72 6.27 0.48 7.28 0.15 -0.22 -4.95 113.70 120.99 1sir s SER 351 Ca 0.34 0.30 0.32 0.00 0.70 0.00 0.00 55.95 57.61 1sir s SER 351 Cb 0.19 -2.16 1.75 0.00 -1.71 0.00 0.00 66.02 64.08 1sir s SER 351 CO 0.29 0.01 1.98 -2.24 1.20 0.00 0.00 173.24 174.49 1sir h ASP 352 N 7.39 0.00 -0.00 5.45 3.04 -1.88 0.15 116.42 130.56 1sir h ASP 352 Ca -0.37 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.42 1sir h ASP 352 Cb 1.17 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.46 1sir h ASP 352 CO 0.69 0.00 0.01 -0.08 -2.04 0.00 0.00 179.24 177.82 1sir h GLU 353 N 0.00 0.00 -0.18 4.15 4.57 -1.92 0.26 114.58 121.46 1sir h GLU 353 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1sir h GLU 353 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1sir h GLU 353 CO 0.00 0.00 0.00 0.66 -1.18 0.00 0.00 179.01 178.49 1sir n TYR 354 N -3.47 0.22 0.00 0.92 4.01 0.52 -5.01 117.16 114.35 1sir n TYR 354 Ca -0.03 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 1sir n TYR 354 Cb 0.09 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 1sir n TYR 354 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1sir n HIS 355 N 0.98 0.00 -0.27 -0.72 8.25 0.08 -4.70 115.22 118.83 1sir n HIS 355 Ca 0.12 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.66 1sir n HIS 355 Cb 0.45 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.79 1sir n HIS 355 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1sir h VAL 356 N 0.00 0.57 -0.77 1.59 2.07 -1.86 0.12 116.25 117.97 1sir h VAL 356 Ca 0.00 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.46 1sir h VAL 356 Cb 0.00 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 29.85 1sir h VAL 356 CO 0.00 0.07 0.50 -0.29 0.02 0.00 0.00 177.57 177.88 1sir h ILE 357 N 0.40 0.98 -0.54 4.57 6.09 -1.84 0.64 117.51 127.82 1sir h ILE 357 Ca 0.46 -0.26 -0.06 0.00 -1.37 0.00 0.00 64.86 63.64 1sir h ILE 357 Cb 0.78 0.17 -0.02 0.00 0.47 0.00 0.00 36.82 38.21 1sir h ILE 357 CO -0.47 0.14 0.10 -0.09 -3.07 0.00 0.00 178.15 174.76 1sir h ARG 358 N 0.75 0.89 -0.27 2.19 2.43 -1.13 -1.97 114.38 117.26 1sir h ARG 358 Ca 0.35 -0.23 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1sir h ARG 358 Cb 0.37 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1sir h ARG 358 CO -0.13 0.85 -0.02 0.45 -1.51 0.00 0.00 179.97 179.62 1sir h HIS 359 N 0.78 0.53 -0.69 2.20 3.86 -0.79 -0.85 115.15 120.19 1sir h HIS 359 Ca 0.17 -0.10 0.07 0.00 -1.16 0.00 0.00 60.37 59.35 1sir h HIS 359 Cb 0.39 -0.14 -0.06 0.00 1.06 0.00 0.00 27.41 28.66 1sir h HIS 359 CO 0.03 0.65 0.37 0.00 0.86 0.00 0.00 177.93 179.84 1sir h ALA 360 N 0.81 0.94 -0.30 2.45 0.00 -0.80 -0.54 119.26 121.82 1sir h ALA 360 Ca 0.07 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1sir h ALA 360 Cb 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1sir h ALA 360 CO 0.02 0.01 -0.41 0.52 0.00 0.00 0.00 179.25 179.38 1sir h MET 361 N 0.65 0.72 -0.27 0.00 2.07 -1.26 -3.16 114.93 113.69 1sir h MET 361 Ca 0.32 -0.38 -0.05 0.00 -2.07 0.00 0.00 59.70 57.52 1sir h MET 361 Cb 0.27 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.01 1sir h MET 361 CO -0.22 1.00 -0.03 -0.91 1.07 0.00 0.00 176.91 177.82 1sir h ASN 362 N 0.59 0.49 0.17 1.22 -0.26 -0.43 -2.80 115.58 114.56 1sir h ASN 362 Ca 0.05 -0.34 0.00 0.00 -0.56 0.00 0.00 56.30 55.45 1sir h ASN 362 Cb 0.96 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 38.09 1sir h ASN 362 CO 0.09 0.71 0.00 0.18 -1.06 0.00 0.00 177.43 177.35 1sir n LEU 363 N -4.57 0.44 -0.02 1.61 4.77 -0.28 -1.59 117.00 117.37 1sir n LEU 363 Ca -0.03 0.68 -0.13 0.00 -0.03 0.00 0.00 56.01 56.50 1sir n LEU 363 Cb 0.28 -0.70 -0.09 0.00 -2.33 0.00 0.00 43.42 40.58 1sir n LEU 363 CO 0.39 -0.75 0.66 -0.08 -1.33 0.00 0.00 177.39 176.27 1sir h GLU 364 N 0.00 0.08 -0.22 3.23 4.57 -1.46 -1.86 114.58 118.92 1sir h GLU 364 Ca 0.00 -0.04 -0.17 0.00 -1.18 0.00 0.00 59.36 57.98 1sir h GLU 364 Cb 0.09 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1sir h GLU 364 CO 0.00 0.49 -0.54 0.00 -1.18 0.00 0.00 179.01 177.78 1sir h ALA 365 N 0.58 0.63 -0.66 2.92 0.00 -1.39 -3.18 119.26 118.16 1sir h ALA 365 Ca 0.01 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.42 1sir h ALA 365 Cb 0.47 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1sir h ALA 365 CO 0.01 0.69 0.43 0.28 0.00 0.00 0.00 179.25 180.65 1sir h VAL 366 N 0.51 1.14 0.00 0.00 2.07 -1.41 -0.25 116.25 118.31 1sir h VAL 366 Ca 0.01 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1sir h VAL 366 Cb 1.10 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1sir h VAL 366 CO 0.11 0.16 0.00 -3.20 0.02 0.00 0.00 177.57 174.66 1sir n ASN 367 N -4.65 0.07 -0.13 0.57 4.05 -0.70 -3.53 115.26 110.93 1sir n ASN 367 Ca 0.06 0.52 -0.28 0.00 0.45 0.00 0.00 54.58 55.33 1sir n ASN 367 Cb 0.04 -0.53 -0.09 0.00 1.23 0.00 0.00 39.78 40.42 1sir n ASN 367 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1sir n THR 368 N -1.58 1.53 -1.62 -0.44 -1.04 -0.34 -2.77 114.28 108.01 1sir n THR 368 Ca 0.03 -0.32 -0.30 0.00 -2.04 0.00 0.00 64.05 61.41 1sir n THR 368 Cb 0.15 -1.93 0.07 0.00 -1.82 0.00 0.00 70.33 66.80 1sir n THR 368 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 1sir s TYR 369 N -2.54 2.98 -1.28 -1.42 -0.00 -0.25 -2.51 117.35 112.33 1sir s TYR 369 Ca -0.38 1.18 -0.06 0.00 -0.00 0.00 0.00 57.07 57.81 1sir s TYR 369 Cb 0.14 -3.06 0.01 0.00 -0.00 0.00 0.00 41.96 39.04 1sir s TYR 369 CO 0.49 -1.55 0.80 0.39 -0.00 0.00 0.00 175.55 175.68 1sir n GLU 370 N -3.29 -5.73 -0.25 -3.49 -0.58 -1.26 -4.60 120.64 101.43 1sir n GLU 370 Ca 0.07 0.77 0.00 0.00 -0.42 0.00 0.00 57.16 57.58 1sir n GLU 370 Cb 0.56 -5.46 0.00 0.00 -0.57 0.00 0.00 31.44 25.96 1sir n GLU 370 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sir n GLY 371 N -1.64 -0.41 3.70 0.62 0.00 -1.25 -4.97 105.19 101.24 1sir n GLY 371 Ca -0.04 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 1sir n GLY 371 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sir s THR 372 N 0.00 2.35 0.24 2.61 -4.23 -1.04 -4.67 115.64 110.90 1sir s THR 372 Ca 0.00 0.12 -0.05 0.00 -1.18 0.00 0.00 61.69 60.58 1sir s THR 372 Cb 0.00 -2.25 0.21 0.00 1.34 0.00 0.00 72.50 71.80 1sir s THR 372 CO 0.00 -0.15 1.72 -0.74 -0.54 0.00 0.00 174.62 174.91 1sir h HIS 373 N -1.67 0.46 -0.14 3.99 2.76 -1.81 -2.27 115.15 116.47 1sir h HIS 373 Ca -0.43 0.04 -0.21 0.00 -2.20 0.00 0.00 60.37 57.57 1sir h HIS 373 Cb 1.26 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.13 1sir h HIS 373 CO 0.52 0.04 -0.74 -0.44 -1.30 0.00 0.00 177.93 176.01 1sir h ASP 374 N 0.41 0.80 -0.97 3.26 3.32 -1.91 -3.13 116.42 118.20 1sir h ASP 374 Ca 0.41 -0.51 0.04 0.00 0.02 0.00 0.00 57.03 56.99 1sir h ASP 374 Cb 0.63 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 1sir h ASP 374 CO -0.42 1.29 0.63 0.40 -1.72 0.00 0.00 179.24 179.42 1sir h ILE 375 N 0.47 1.15 0.00 0.35 1.08 -1.78 0.20 117.51 118.97 1sir h ILE 375 Ca -0.04 -0.41 -0.00 0.00 -0.39 0.00 0.00 64.86 64.02 1sir h ILE 375 Cb 1.35 -0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 34.93 1sir h ILE 375 CO 0.15 0.22 -0.01 0.45 -0.69 0.00 0.00 178.15 178.26 1sir h HIS 376 N 1.20 0.00 0.19 1.37 3.86 -1.42 -1.35 115.15 119.00 1sir h HIS 376 Ca 0.39 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.33 1sir h HIS 376 Cb 0.04 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.54 1sir h HIS 376 CO -0.01 0.01 -1.19 0.00 0.86 0.00 0.00 177.93 177.61 1sir h ALA 377 N 1.99 -0.11 -0.21 2.45 0.00 -0.60 -2.49 119.26 120.29 1sir h ALA 377 Ca -0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 54.91 54.09 1sir h ALA 377 Cb 0.33 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1sir h ALA 377 CO 0.00 0.57 -0.07 -0.07 0.00 0.00 0.00 179.25 179.68 1sir h LEU 378 N -0.02 0.30 -0.01 0.00 -0.00 -0.67 0.21 115.31 115.11 1sir h LEU 378 Ca -0.20 -0.05 -0.00 0.00 -0.00 0.00 0.00 57.88 57.62 1sir h LEU 378 Cb 1.92 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 42.51 1sir h LEU 378 CO 0.22 0.41 0.00 0.40 -0.00 0.00 0.00 178.44 179.47 1sir h ILE 379 N 0.31 1.18 -0.83 1.22 2.04 -1.26 0.64 117.51 120.80 1sir h ILE 379 Ca 0.07 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.38 1sir h ILE 379 Cb 0.32 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1sir h ILE 379 CO 0.01 0.14 0.43 -0.07 0.00 0.00 0.00 178.15 178.66 1sir h LEU 380 N -0.21 1.06 -1.06 1.44 3.38 -0.96 -2.55 115.31 116.42 1sir h LEU 380 Ca 0.00 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1sir h LEU 380 Cb 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1sir h LEU 380 CO -0.00 0.88 0.05 1.23 0.09 0.00 0.00 178.44 180.69 1sir h GLY 381 N 1.19 0.78 1.10 0.83 0.00 -0.34 0.63 103.07 107.26 1sir h GLY 381 Ca 0.29 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 47.06 1sir h GLY 381 CO -0.04 0.44 0.06 -0.09 0.00 0.00 0.00 176.54 176.91 1sir h ARG 382 N 0.69 1.08 -0.38 4.80 2.43 -0.48 -0.76 114.38 121.76 1sir h ARG 382 Ca 0.15 -0.31 -0.14 0.00 -0.81 0.00 0.00 59.98 58.87 1sir h ARG 382 Cb 0.35 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1sir h ARG 382 CO 0.01 1.02 -0.30 0.00 -1.51 0.00 0.00 179.97 179.19 1sir h ALA 383 N 1.05 0.55 -0.37 2.80 0.00 -1.08 0.57 119.26 122.79 1sir h ALA 383 Ca 0.19 -0.42 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 1sir h ALA 383 Cb 0.49 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1sir h ALA 383 CO 0.02 0.59 -0.38 0.82 0.00 0.00 0.00 179.25 180.30 1sir h ILE 384 N 0.69 1.27 0.00 0.00 2.04 -0.69 -3.35 117.51 117.48 1sir h ILE 384 Ca 0.07 -1.55 -0.19 0.00 1.00 0.00 0.00 64.86 64.19 1sir h ILE 384 Cb 0.88 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 1sir h ILE 384 CO 0.08 0.52 -2.16 0.35 0.00 0.00 0.00 178.15 176.94 1sir n THR 385 N -4.09 0.73 -0.78 -0.27 -2.24 -0.31 -4.97 114.28 102.35 1sir n THR 385 Ca -0.03 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1sir n THR 385 Cb 0.54 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1sir n THR 385 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sir n GLY 386 N 1.59 0.62 3.15 3.38 0.00 0.20 -5.02 105.19 109.11 1sir n GLY 386 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 1sir n GLY 386 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sir s ILE 387 N -2.09 1.79 0.29 -0.61 1.01 -1.22 -5.02 121.20 115.35 1sir s ILE 387 Ca 0.00 -0.85 -0.28 0.00 0.00 0.00 0.00 60.65 59.52 1sir s ILE 387 Cb 0.00 -1.57 -0.09 0.00 0.01 0.00 0.00 42.46 40.80 1sir s ILE 387 CO 0.00 0.50 0.96 -1.58 0.00 0.00 0.00 174.94 174.82 1sir s GLN 388 N 0.54 4.69 -0.04 2.79 -0.44 -1.26 -4.17 119.66 121.77 1sir s GLN 388 Ca -0.15 1.46 0.14 0.00 -2.50 0.00 0.00 55.36 54.31 1sir s GLN 388 Cb -0.17 -3.04 0.26 0.00 -1.64 0.00 0.00 33.01 28.42 1sir s GLN 388 CO 0.05 0.36 1.11 0.00 0.50 0.00 0.00 175.29 177.31 1sir n ALA 389 N 1.00 2.39 0.08 1.58 0.00 -1.26 -4.83 120.51 119.47 1sir n ALA 389 Ca 0.00 -2.02 -0.22 0.00 0.00 0.00 0.00 53.44 51.20 1sir n ALA 389 Cb 0.48 -0.57 -0.14 0.00 0.00 0.00 0.00 19.45 19.23 1sir n ALA 389 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1sir h PHE 390 N 0.54 0.86 -5.10 0.00 -1.00 -1.93 -3.47 116.94 106.83 1sir h PHE 390 Ca -0.09 -0.56 -0.42 0.00 2.81 0.00 0.00 57.97 59.71 1sir h PHE 390 Cb 1.51 -0.06 -0.05 0.00 3.61 0.00 0.00 35.95 40.96 1sir h PHE 390 CO 0.20 1.42 -0.23 0.25 -1.61 0.00 0.00 178.31 178.34 1sir n THR 391 N -3.91 0.00 0.99 -1.55 -2.24 -1.26 -5.23 114.28 101.08 1sir n THR 391 Ca -0.14 -1.55 0.12 0.00 -2.27 0.00 0.00 64.05 60.21 1sir n THR 391 Cb 0.93 -0.02 0.10 0.00 -2.10 0.00 0.00 70.33 69.24 1sir n THR 391 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50